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 1sio_1_B DATA FIRST_RESID 2 DATA SEQUENCE APTAYTPLDV AQAYQFPEGL DGQGQCIAII ELGGGYDEAS LAQYFASLGV DATA SEQUENCE PAPQVVSVSV DGASNQPTGD PSGPDGEVEL DIEVAGALAP GAKFAVYFAP DATA SEQUENCE NTDAGFLDAI TTAIHDPTLK PSVVSISWGG PEDSWTSAAI AAMNRAFLDA DATA SEQUENCE AALGVTVLAA AGDSGSTDGE QDGLYHVDFP AASPYVLACG GTRLVASGGR DATA SEQUENCE IAQETVWNDG PDGGATGGGV SRIFPLPAWQ EHANVPPSAN PGASSGRGVP DATA SEQUENCE DLAGNADPAT GYEVVIDGEA TVIGGTSAVA PLFAALVARI NQKLGKAVGY DATA SEQUENCE LNPTLYQLPA DVFHDITEGN NDIANRAQIY QAGPGWDPCT GLGSPIGVRL DATA SEQUENCE LQALLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.557 177.584 -0.045 0.000 1.274 2 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 2 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 3 P HA 0.335 nan 4.420 nan 0.000 0.262 3 P C 0.150 177.386 177.300 -0.107 0.000 1.199 3 P CA 0.667 63.728 63.100 -0.065 0.000 0.763 3 P CB 0.368 32.039 31.700 -0.048 0.000 0.790 4 T N -0.013 114.443 114.554 -0.163 0.000 2.807 4 T HA 0.872 5.222 4.350 0.000 0.000 0.277 4 T C -0.546 173.963 174.700 -0.319 0.000 1.006 4 T CA -0.907 61.044 62.100 -0.249 0.000 1.006 4 T CB 1.939 70.610 68.868 -0.328 0.000 1.274 4 T HN 0.560 nan 8.240 nan 0.000 0.569 5 A N -0.135 122.432 122.820 -0.422 0.000 2.606 5 A HA 0.772 5.092 4.320 0.000 0.000 0.293 5 A C -2.148 175.106 177.584 -0.550 0.000 1.082 5 A CA -0.999 50.791 52.037 -0.413 0.000 0.685 5 A CB 1.064 19.943 19.000 -0.201 0.000 1.284 5 A HN 0.771 nan 8.150 nan 0.000 0.408 6 Y N -0.271 119.911 120.300 -0.196 0.000 2.570 6 Y HA 0.609 5.159 4.550 0.000 0.000 0.345 6 Y C 1.095 176.919 175.900 -0.126 0.000 1.014 6 Y CA -0.183 57.804 58.100 -0.188 0.000 1.063 6 Y CB 1.964 40.257 38.460 -0.279 0.000 1.272 6 Y HN 0.824 nan 8.280 nan 0.000 0.477 7 T N -1.739 112.873 114.554 0.097 0.000 2.868 7 T HA 0.195 4.545 4.350 0.000 0.000 0.292 7 T C -2.168 172.595 174.700 0.106 0.000 1.028 7 T CA -1.742 60.411 62.100 0.089 0.000 1.059 7 T CB 1.250 70.134 68.868 0.027 0.000 0.991 7 T HN 0.340 nan 8.240 nan 0.000 0.531 8 P HA -0.004 nan 4.420 nan 0.000 0.219 8 P C 1.545 178.828 177.300 -0.028 0.000 1.146 8 P CA 0.798 63.988 63.100 0.150 0.000 0.808 8 P CB -0.117 31.679 31.700 0.161 0.000 0.779 9 L N -0.764 120.445 121.223 -0.024 0.000 2.093 9 L HA -0.164 4.176 4.340 0.000 0.000 0.208 9 L C 1.983 178.772 176.870 -0.135 0.000 1.085 9 L CA 1.384 56.177 54.840 -0.078 0.000 0.755 9 L CB -0.968 41.068 42.059 -0.039 0.000 0.904 9 L HN -0.023 nan 8.230 nan 0.000 0.435 10 D N -0.128 120.202 120.400 -0.116 0.000 2.117 10 D HA -0.149 4.491 4.640 0.000 0.000 0.197 10 D C 2.339 178.418 176.300 -0.369 0.000 0.987 10 D CA 1.239 55.137 54.000 -0.170 0.000 0.829 10 D CB -0.156 40.612 40.800 -0.054 0.000 0.961 10 D HN 0.137 nan 8.370 nan 0.000 0.460 11 V N 1.544 121.207 119.914 -0.418 0.000 2.358 11 V HA -0.188 3.932 4.120 0.000 0.000 0.246 11 V C 2.585 178.293 176.094 -0.644 0.000 1.047 11 V CA 1.662 63.583 62.300 -0.632 0.000 1.035 11 V CB -0.809 30.747 31.823 -0.446 0.000 0.658 11 V HN 0.162 nan 8.190 nan 0.000 0.452 12 A N 0.051 122.527 122.820 -0.574 0.000 1.908 12 A HA -0.312 4.008 4.320 0.000 0.000 0.218 12 A C 2.202 179.575 177.584 -0.351 0.000 1.181 12 A CA 2.294 53.817 52.037 -0.856 0.000 0.627 12 A CB -0.557 17.815 19.000 -1.046 0.000 0.818 12 A HN 0.572 nan 8.150 nan 0.000 0.445 13 Q N 0.179 119.836 119.800 -0.239 0.000 2.084 13 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 13 Q C 1.976 177.914 176.000 -0.103 0.000 0.978 13 Q CA 2.352 58.091 55.803 -0.108 0.000 0.844 13 Q CB -0.759 27.921 28.738 -0.096 0.000 0.898 13 Q HN 0.517 nan 8.270 nan 0.000 0.426 14 A N -0.276 122.399 122.820 -0.241 0.000 1.917 14 A HA -0.180 4.140 4.320 0.000 0.000 0.219 14 A C 1.362 178.925 177.584 -0.034 0.000 1.182 14 A CA 1.635 53.526 52.037 -0.243 0.000 0.633 14 A CB -0.995 17.704 19.000 -0.501 0.000 0.819 14 A HN 0.555 nan 8.150 nan 0.000 0.448 15 Y N -0.036 120.255 120.300 -0.015 0.000 2.477 15 Y HA 0.144 4.694 4.550 0.000 0.000 0.303 15 Y C 0.618 176.652 175.900 0.224 0.000 1.202 15 Y CA 0.052 58.234 58.100 0.136 0.000 1.282 15 Y CB -0.537 38.113 38.460 0.316 0.000 1.071 15 Y HN 0.444 nan 8.280 nan 0.000 0.510 16 Q N -1.044 118.915 119.800 0.265 0.000 2.453 16 Q HA -0.238 4.102 4.340 0.000 0.000 0.294 16 Q C -0.697 175.477 176.000 0.289 0.000 1.295 16 Q CA 0.525 56.451 55.803 0.205 0.000 0.853 16 Q CB -2.227 26.587 28.738 0.127 0.000 1.193 16 Q HN 0.287 nan 8.270 nan 0.000 0.461 17 F N 1.702 121.696 119.950 0.073 0.000 2.607 17 F HA 0.098 4.625 4.527 0.000 0.000 0.374 17 F C -1.134 174.686 175.800 0.035 0.000 1.104 17 F CA -1.596 56.444 58.000 0.067 0.000 1.296 17 F CB -0.151 38.904 39.000 0.091 0.000 1.085 17 F HN 0.025 nan 8.300 nan 0.000 0.584 18 P HA -0.017 nan 4.420 nan 0.000 0.271 18 P C -0.142 177.204 177.300 0.077 0.000 1.220 18 P CA -0.157 62.973 63.100 0.050 0.000 0.768 18 P CB 0.614 32.307 31.700 -0.012 0.000 0.848 19 E N 2.328 122.564 120.200 0.061 0.000 2.390 19 E HA 0.165 4.515 4.350 0.000 0.000 0.261 19 E C 1.171 177.794 176.600 0.039 0.000 1.076 19 E CA 0.653 57.086 56.400 0.055 0.000 0.905 19 E CB 0.108 29.832 29.700 0.039 0.000 0.984 19 E HN 0.769 nan 8.360 nan 0.000 0.427 20 G N 2.953 111.777 108.800 0.039 0.000 2.168 20 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 20 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 20 G C -0.046 174.870 174.900 0.027 0.000 0.997 20 G CA 0.714 45.831 45.100 0.028 0.000 0.708 20 G HN 0.360 nan 8.290 nan 0.000 0.520 21 L N 0.187 121.432 121.223 0.038 0.000 2.385 21 L HA 0.616 4.956 4.340 0.000 0.000 0.273 21 L C 0.115 177.019 176.870 0.057 0.000 0.990 21 L CA -0.523 54.338 54.840 0.034 0.000 0.821 21 L CB 1.988 44.059 42.059 0.020 0.000 1.279 21 L HN 0.184 nan 8.230 nan 0.000 0.412 22 D N 0.385 120.814 120.400 0.048 0.000 2.540 22 D HA 0.199 4.839 4.640 0.000 0.000 0.229 22 D C 1.036 177.369 176.300 0.056 0.000 1.250 22 D CA 0.374 54.413 54.000 0.066 0.000 0.817 22 D CB 1.075 41.905 40.800 0.051 0.000 1.060 22 D HN 0.688 nan 8.370 nan 0.000 0.508 23 G N 0.786 109.603 108.800 0.028 0.000 2.175 23 G HA2 -0.334 3.626 3.960 0.000 0.000 0.244 23 G HA3 -0.334 3.626 3.960 0.000 0.000 0.244 23 G C 0.225 175.109 174.900 -0.026 0.000 0.982 23 G CA 0.284 45.384 45.100 -0.001 0.000 0.641 23 G HN 0.673 nan 8.290 nan 0.000 0.527 24 Q N 0.357 120.151 119.800 -0.011 0.000 2.304 24 Q HA 0.426 4.766 4.340 0.000 0.000 0.301 24 Q C 1.523 177.507 176.000 -0.027 0.000 1.063 24 Q CA 1.947 57.739 55.803 -0.018 0.000 0.947 24 Q CB 0.412 29.146 28.738 -0.007 0.000 1.201 24 Q HN 1.924 nan 8.270 nan 0.000 0.389 25 G N 2.307 111.087 108.800 -0.033 0.000 2.176 25 G HA2 -0.206 3.754 3.960 0.000 0.000 0.253 25 G HA3 -0.206 3.754 3.960 0.000 0.000 0.253 25 G C -0.293 174.581 174.900 -0.045 0.000 0.979 25 G CA 0.278 45.359 45.100 -0.032 0.000 0.641 25 G HN 0.627 nan 8.290 nan 0.000 0.530 26 Q N -0.599 119.161 119.800 -0.067 0.000 2.301 26 Q HA 0.633 4.973 4.340 0.000 0.000 0.267 26 Q C -0.257 175.661 176.000 -0.137 0.000 1.035 26 Q CA -0.484 55.266 55.803 -0.088 0.000 0.856 26 Q CB 2.129 30.813 28.738 -0.089 0.000 1.337 26 Q HN 0.557 nan 8.270 nan 0.000 0.450 27 C N 3.106 122.330 119.300 -0.126 0.000 2.340 27 C HA 0.645 5.105 4.460 0.000 0.000 0.323 27 C C -0.499 174.395 174.990 -0.161 0.000 1.260 27 C CA -0.537 58.387 59.018 -0.156 0.000 1.464 27 C CB -0.549 27.153 27.740 -0.064 0.000 2.156 27 C HN 0.746 nan 8.230 nan 0.000 0.476 28 I N 6.131 126.522 120.570 -0.298 0.000 2.312 28 I HA 0.445 4.615 4.170 0.000 0.000 0.290 28 I C 0.811 176.932 176.117 0.008 0.000 1.008 28 I CA 0.008 61.202 61.300 -0.177 0.000 1.226 28 I CB 1.334 39.158 38.000 -0.294 0.000 1.371 28 I HN 0.831 nan 8.210 nan 0.000 0.468 29 A N 8.201 131.081 122.820 0.100 0.000 2.327 29 A HA 0.759 5.079 4.320 0.000 0.000 0.283 29 A C -0.347 177.365 177.584 0.213 0.000 1.127 29 A CA -0.269 51.906 52.037 0.230 0.000 0.810 29 A CB 0.398 19.500 19.000 0.169 0.000 1.066 29 A HN 0.696 nan 8.150 nan 0.000 0.492 30 I N 3.582 124.308 120.570 0.259 0.000 2.478 30 I HA 0.244 4.414 4.170 0.000 0.000 0.287 30 I C -0.888 175.328 176.117 0.164 0.000 1.042 30 I CA -0.637 60.775 61.300 0.187 0.000 1.067 30 I CB 1.636 39.726 38.000 0.150 0.000 1.233 30 I HN 0.397 nan 8.210 nan 0.000 0.431 31 I N 5.664 126.331 120.570 0.162 0.000 2.396 31 I HA 0.370 4.540 4.170 0.000 0.000 0.292 31 I C 0.187 176.306 176.117 0.004 0.000 0.999 31 I CA -0.277 61.088 61.300 0.109 0.000 1.310 31 I CB 0.977 39.096 38.000 0.199 0.000 1.404 31 I HN 0.507 nan 8.210 nan 0.000 0.496 32 E N 6.431 126.507 120.200 -0.207 0.000 2.275 32 E HA 0.374 4.724 4.350 0.000 0.000 0.270 32 E C -0.158 176.135 176.600 -0.513 0.000 0.882 32 E CA -0.475 55.759 56.400 -0.277 0.000 0.758 32 E CB 2.679 32.202 29.700 -0.294 0.000 1.195 32 E HN 0.446 nan 8.360 nan 0.000 0.419 33 L N 0.720 121.280 121.223 -1.105 0.000 2.769 33 L HA 0.457 4.797 4.340 0.000 0.000 0.240 33 L C 0.692 177.255 176.870 -0.510 0.000 1.163 33 L CA -0.132 54.099 54.840 -1.014 0.000 0.962 33 L CB 0.539 41.630 42.059 -1.615 0.000 1.258 33 L HN 0.587 nan 8.230 nan 0.000 0.513 34 G N -1.675 107.052 108.800 -0.122 0.000 2.338 34 G HA2 0.421 4.381 3.960 0.000 0.000 0.295 34 G HA3 0.421 4.381 3.960 0.000 0.000 0.295 34 G C -0.210 174.871 174.900 0.300 0.000 1.461 34 G CA -0.076 45.099 45.100 0.125 0.000 0.817 34 G HN 0.214 nan 8.290 nan 0.000 0.556 35 G N -0.926 107.996 108.800 0.204 0.000 2.575 35 G HA2 0.494 4.454 3.960 0.000 0.000 0.267 35 G HA3 0.494 4.454 3.960 0.000 0.000 0.267 35 G C 0.964 175.977 174.900 0.188 0.000 1.264 35 G CA 1.313 46.522 45.100 0.182 0.000 0.935 35 G HN 2.829 nan 8.290 nan 0.000 0.568 36 G N -2.869 106.065 108.800 0.224 0.000 2.325 36 G HA2 0.788 4.748 3.960 0.000 0.000 0.295 36 G HA3 0.788 4.748 3.960 0.000 0.000 0.295 36 G C -1.060 173.983 174.900 0.238 0.000 1.274 36 G CA 0.241 45.461 45.100 0.200 0.000 0.857 36 G HN 2.270 nan 8.290 nan 0.000 0.499 37 Y N -0.188 120.191 120.300 0.133 0.000 2.576 37 Y HA 0.787 5.337 4.550 0.000 0.000 0.346 37 Y C -0.895 175.030 175.900 0.042 0.000 1.018 37 Y CA -1.357 56.797 58.100 0.090 0.000 1.050 37 Y CB 1.915 40.444 38.460 0.116 0.000 1.280 37 Y HN 0.633 nan 8.280 nan 0.000 0.474 38 D N 1.169 121.682 120.400 0.188 0.000 2.248 38 D HA 0.159 4.799 4.640 0.000 0.000 0.246 38 D C 0.013 176.430 176.300 0.196 0.000 1.027 38 D CA -0.598 53.459 54.000 0.095 0.000 0.853 38 D CB 2.155 42.978 40.800 0.039 0.000 1.243 38 D HN 0.727 nan 8.370 nan 0.000 0.462 39 E N 1.248 121.546 120.200 0.163 0.000 2.204 39 E HA -0.139 4.211 4.350 0.000 0.000 0.195 39 E C 1.812 178.490 176.600 0.130 0.000 0.990 39 E CA 1.045 57.556 56.400 0.185 0.000 0.821 39 E CB -0.137 29.649 29.700 0.144 0.000 0.750 39 E HN 0.691 nan 8.360 nan 0.000 0.477 40 A N 0.976 123.849 122.820 0.089 0.000 1.930 40 A HA -0.113 4.207 4.320 0.000 0.000 0.217 40 A C 2.490 180.111 177.584 0.062 0.000 1.175 40 A CA 1.438 53.516 52.037 0.067 0.000 0.627 40 A CB -0.346 18.681 19.000 0.045 0.000 0.815 40 A HN 0.135 nan 8.150 nan 0.000 0.443 41 S N -0.032 115.703 115.700 0.058 0.000 2.356 41 S HA -0.095 4.375 4.470 0.000 0.000 0.223 41 S C 1.825 176.432 174.600 0.011 0.000 1.032 41 S CA 1.475 59.692 58.200 0.028 0.000 1.005 41 S CB -0.450 62.759 63.200 0.015 0.000 0.867 41 S HN 0.533 nan 8.310 nan 0.000 0.449 42 L N 1.020 122.264 121.223 0.035 0.000 2.083 42 L HA -0.120 4.220 4.340 0.000 0.000 0.209 42 L C 2.770 179.705 176.870 0.108 0.000 1.083 42 L CA 1.182 56.020 54.840 -0.003 0.000 0.752 42 L CB -0.741 41.394 42.059 0.127 0.000 0.899 42 L HN 0.313 nan 8.230 nan 0.000 0.433 43 A N -0.427 122.485 122.820 0.153 0.000 1.898 43 A HA -0.262 4.058 4.320 0.000 0.000 0.216 43 A C 2.301 179.954 177.584 0.115 0.000 1.181 43 A CA 1.707 53.846 52.037 0.169 0.000 0.620 43 A CB -0.541 18.532 19.000 0.121 0.000 0.819 43 A HN 0.487 nan 8.150 nan 0.000 0.442 44 Q N -2.033 117.809 119.800 0.071 0.000 2.167 44 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 44 Q C 1.874 177.887 176.000 0.022 0.000 0.970 44 Q CA 1.760 57.588 55.803 0.041 0.000 0.855 44 Q CB -0.254 28.504 28.738 0.033 0.000 0.911 44 Q HN 0.791 nan 8.270 nan 0.000 0.438 45 Y N -0.030 120.177 120.300 -0.155 0.000 2.153 45 Y HA -0.181 4.369 4.550 0.000 0.000 0.289 45 Y C 1.485 177.259 175.900 -0.209 0.000 1.127 45 Y CA 1.661 59.607 58.100 -0.257 0.000 1.131 45 Y CB -0.439 37.741 38.460 -0.467 0.000 0.995 45 Y HN 0.077 nan 8.280 nan 0.000 0.505 46 F N 0.305 120.251 119.950 -0.007 0.000 2.293 46 F HA -0.061 4.466 4.527 0.000 0.000 0.300 46 F C 2.509 178.227 175.800 -0.138 0.000 1.086 46 F CA 0.971 58.893 58.000 -0.129 0.000 1.375 46 F CB -1.141 37.864 39.000 0.008 0.000 1.045 46 F HN 0.193 nan 8.300 nan 0.000 0.516 47 A N -0.442 122.422 122.820 0.075 0.000 1.929 47 A HA -0.122 4.198 4.320 0.000 0.000 0.216 47 A C 2.370 179.931 177.584 -0.038 0.000 1.176 47 A CA 1.680 53.735 52.037 0.030 0.000 0.628 47 A CB -0.990 18.032 19.000 0.036 0.000 0.816 47 A HN 0.289 nan 8.150 nan 0.000 0.444 48 S N 0.070 115.711 115.700 -0.098 0.000 2.400 48 S HA -0.094 4.376 4.470 0.000 0.000 0.232 48 S C 1.606 176.116 174.600 -0.150 0.000 1.025 48 S CA 1.361 59.484 58.200 -0.128 0.000 0.993 48 S CB -0.350 62.747 63.200 -0.171 0.000 0.808 48 S HN 0.501 nan 8.310 nan 0.000 0.478 49 L N 0.443 121.544 121.223 -0.205 0.000 2.509 49 L HA 0.173 4.513 4.340 0.000 0.000 0.222 49 L C 1.652 178.481 176.870 -0.068 0.000 1.123 49 L CA 0.428 55.169 54.840 -0.165 0.000 0.856 49 L CB -0.481 41.446 42.059 -0.220 0.000 0.985 49 L HN 0.540 nan 8.230 nan 0.000 0.456 50 G N 1.055 109.831 108.800 -0.039 0.000 2.147 50 G HA2 -0.249 3.711 3.960 0.000 0.000 0.244 50 G HA3 -0.249 3.711 3.960 0.000 0.000 0.244 50 G C 0.078 174.980 174.900 0.003 0.000 1.005 50 G CA 0.396 45.488 45.100 -0.013 0.000 0.713 50 G HN 0.303 nan 8.290 nan 0.000 0.515 51 V N -1.727 118.202 119.914 0.024 0.000 2.628 51 V HA 0.895 5.015 4.120 0.000 0.000 0.306 51 V C -2.154 173.940 176.094 0.000 0.000 1.045 51 V CA -2.347 59.967 62.300 0.022 0.000 0.905 51 V CB 2.135 33.986 31.823 0.046 0.000 0.997 51 V HN 0.117 nan 8.190 nan 0.000 0.436 52 P HA 0.208 nan 4.420 nan 0.000 0.265 52 P C 0.092 177.282 177.300 -0.184 0.000 1.222 52 P CA 0.419 63.482 63.100 -0.063 0.000 0.767 52 P CB 0.590 32.264 31.700 -0.044 0.000 0.801 53 A N 7.352 130.052 122.820 -0.201 0.000 2.540 53 A HA 0.313 4.633 4.320 0.000 0.000 0.239 53 A C -1.544 175.815 177.584 -0.373 0.000 1.061 53 A CA -0.792 50.943 52.037 -0.504 0.000 0.758 53 A CB -1.028 17.879 19.000 -0.154 0.000 0.991 53 A HN 0.449 nan 8.150 nan 0.000 0.502 54 P HA 0.112 nan 4.420 nan 0.000 0.276 54 P C -0.566 176.711 177.300 -0.038 0.000 1.244 54 P CA -0.506 62.504 63.100 -0.150 0.000 0.801 54 P CB 0.509 32.210 31.700 0.002 0.000 1.006 55 Q N 0.775 120.606 119.800 0.052 0.000 2.311 55 Q HA 0.246 4.586 4.340 0.000 0.000 0.272 55 Q C -1.196 174.889 176.000 0.142 0.000 1.012 55 Q CA -0.029 55.820 55.803 0.077 0.000 0.891 55 Q CB 0.334 29.108 28.738 0.060 0.000 1.201 55 Q HN 0.204 nan 8.270 nan 0.000 0.391 56 V N 5.251 125.236 119.914 0.118 0.000 2.588 56 V HA 0.479 4.599 4.120 0.000 0.000 0.304 56 V C -0.425 175.760 176.094 0.151 0.000 1.042 56 V CA -0.760 61.617 62.300 0.130 0.000 0.877 56 V CB 1.704 33.520 31.823 -0.012 0.000 0.996 56 V HN 0.667 nan 8.190 nan 0.000 0.425 57 V N 1.447 121.450 119.914 0.147 0.000 2.656 57 V HA 0.796 4.916 4.120 0.000 0.000 0.307 57 V C -0.127 176.066 176.094 0.164 0.000 1.051 57 V CA -0.403 61.984 62.300 0.146 0.000 0.893 57 V CB 1.856 33.724 31.823 0.075 0.000 0.999 57 V HN 0.700 nan 8.190 nan 0.000 0.426 58 S N 2.477 118.310 115.700 0.222 0.000 2.646 58 S HA 0.823 5.293 4.470 0.000 0.000 0.276 58 S C -0.349 174.295 174.600 0.073 0.000 1.222 58 S CA -0.586 57.771 58.200 0.262 0.000 1.014 58 S CB 1.681 65.111 63.200 0.382 0.000 0.991 58 S HN 0.874 nan 8.310 nan 0.000 0.533 59 V N 1.737 121.658 119.914 0.012 0.000 2.577 59 V HA 0.430 4.550 4.120 0.000 0.000 0.303 59 V C -0.080 176.073 176.094 0.098 0.000 1.042 59 V CA -0.756 61.497 62.300 -0.078 0.000 0.872 59 V CB 1.855 33.393 31.823 -0.475 0.000 0.998 59 V HN 0.843 nan 8.190 nan 0.000 0.423 60 S N 4.076 119.835 115.700 0.098 0.000 2.465 60 S HA 0.632 5.102 4.470 0.000 0.000 0.279 60 S C -0.574 174.107 174.600 0.135 0.000 1.201 60 S CA -0.303 57.968 58.200 0.119 0.000 1.053 60 S CB 0.666 63.903 63.200 0.061 0.000 0.953 60 S HN 0.529 nan 8.310 nan 0.000 0.488 61 V N 5.136 125.146 119.914 0.159 0.000 2.540 61 V HA 0.377 4.497 4.120 0.000 0.000 0.302 61 V C -0.440 175.716 176.094 0.102 0.000 1.035 61 V CA -0.763 61.625 62.300 0.147 0.000 0.873 61 V CB 1.679 33.616 31.823 0.190 0.000 0.992 61 V HN 0.977 nan 8.190 nan 0.000 0.428 62 D N 3.984 124.432 120.400 0.080 0.000 2.701 62 D HA -0.199 4.441 4.640 0.000 0.000 0.235 62 D C 1.321 177.648 176.300 0.045 0.000 1.155 62 D CA 1.913 55.947 54.000 0.057 0.000 0.649 62 D CB -1.105 39.728 40.800 0.055 0.000 1.050 62 D HN 1.419 nan 8.370 nan 0.000 0.425 63 G N -1.443 107.383 108.800 0.042 0.000 2.320 63 G HA2 -0.207 3.753 3.960 0.000 0.000 0.242 63 G HA3 -0.207 3.753 3.960 0.000 0.000 0.242 63 G C 0.630 175.542 174.900 0.020 0.000 1.033 63 G CA 0.634 45.749 45.100 0.025 0.000 0.620 63 G HN 1.303 nan 8.290 nan 0.000 0.517 64 A N 0.173 123.016 122.820 0.038 0.000 2.425 64 A HA 0.732 5.052 4.320 0.000 0.000 0.242 64 A C 0.835 178.433 177.584 0.022 0.000 1.077 64 A CA 1.470 53.528 52.037 0.035 0.000 0.781 64 A CB 0.415 19.464 19.000 0.082 0.000 1.020 64 A HN 2.162 nan 8.150 nan 0.000 0.494 65 S N 0.368 116.020 115.700 -0.080 0.000 2.720 65 S HA 0.471 4.941 4.470 0.000 0.000 0.287 65 S C -0.572 173.594 174.600 -0.724 0.000 1.168 65 S CA -0.883 57.173 58.200 -0.241 0.000 0.832 65 S CB 0.885 63.971 63.200 -0.190 0.000 1.166 65 S HN 0.767 nan 8.310 nan 0.000 0.493 66 N N 1.264 119.342 118.700 -1.038 0.000 2.406 66 N HA 0.131 4.871 4.740 0.000 0.000 0.274 66 N C -0.705 174.379 175.510 -0.709 0.000 1.249 66 N CA 0.353 52.537 53.050 -1.443 0.000 0.951 66 N CB -0.130 37.753 38.487 -1.005 0.000 1.241 66 N HN 0.675 nan 8.380 nan 0.000 0.485 67 Q N 4.943 124.422 119.800 -0.536 0.000 2.907 67 Q HA 0.425 4.765 4.340 0.000 0.000 0.262 67 Q C -2.600 173.313 176.000 -0.145 0.000 0.997 67 Q CA -1.896 53.750 55.803 -0.262 0.000 0.797 67 Q CB 1.094 29.724 28.738 -0.180 0.000 1.228 67 Q HN 0.393 nan 8.270 nan 0.000 0.466 68 P HA 0.027 nan 4.420 nan 0.000 0.271 68 P C 0.323 177.606 177.300 -0.028 0.000 1.216 68 P CA 0.066 63.135 63.100 -0.051 0.000 0.776 68 P CB 1.357 33.024 31.700 -0.055 0.000 0.881 69 T N -2.184 112.372 114.554 0.003 0.000 3.060 69 T HA 0.241 4.591 4.350 0.000 0.000 0.249 69 T C 1.394 176.095 174.700 0.002 0.000 1.079 69 T CA 0.575 62.677 62.100 0.003 0.000 1.013 69 T CB -0.825 68.054 68.868 0.018 0.000 0.975 69 T HN 0.639 nan 8.240 nan 0.000 0.518 70 G N 1.479 110.281 108.800 0.003 0.000 2.189 70 G HA2 -0.253 3.707 3.960 0.000 0.000 0.267 70 G HA3 -0.253 3.707 3.960 0.000 0.000 0.267 70 G C -0.182 174.722 174.900 0.006 0.000 0.975 70 G CA 0.245 45.347 45.100 0.002 0.000 0.644 70 G HN 0.743 nan 8.290 nan 0.000 0.537 71 D N 0.274 120.679 120.400 0.010 0.000 2.373 71 D HA 0.522 5.162 4.640 0.000 0.000 0.227 71 D C -0.789 175.516 176.300 0.008 0.000 1.091 71 D CA -2.380 51.625 54.000 0.009 0.000 0.840 71 D CB 1.456 42.263 40.800 0.011 0.000 1.060 71 D HN 0.062 nan 8.370 nan 0.000 0.502 72 P HA -0.049 nan 4.420 nan 0.000 0.221 72 P C 0.799 178.094 177.300 -0.008 0.000 1.145 72 P CA 0.713 63.810 63.100 -0.004 0.000 0.795 72 P CB 0.399 32.094 31.700 -0.008 0.000 0.775 73 S N -1.525 114.174 115.700 -0.003 0.000 2.548 73 S HA 0.206 4.676 4.470 0.000 0.000 0.215 73 S C 1.314 175.914 174.600 0.000 0.000 0.976 73 S CA 0.392 58.590 58.200 -0.004 0.000 0.908 73 S CB -0.230 62.971 63.200 0.000 0.000 0.781 73 S HN 0.241 nan 8.310 nan 0.000 0.519 74 G N 2.189 110.995 108.800 0.010 0.000 2.695 74 G HA2 0.299 4.259 3.960 0.000 0.000 0.213 74 G HA3 0.299 4.259 3.960 0.000 0.000 0.213 74 G C -1.713 173.204 174.900 0.029 0.000 1.406 74 G CA -0.664 44.450 45.100 0.024 0.000 1.049 74 G HN 0.081 nan 8.290 nan 0.000 0.573 75 P HA -0.045 nan 4.420 nan 0.000 0.222 75 P C 0.468 177.845 177.300 0.128 0.000 1.147 75 P CA 1.033 64.211 63.100 0.130 0.000 0.790 75 P CB 0.150 32.010 31.700 0.266 0.000 0.780 76 D N 0.257 120.716 120.400 0.099 0.000 2.218 76 D HA -0.092 4.548 4.640 0.000 0.000 0.204 76 D C 2.298 178.627 176.300 0.049 0.000 0.976 76 D CA 1.469 55.528 54.000 0.098 0.000 0.853 76 D CB -1.012 39.828 40.800 0.067 0.000 0.939 76 D HN 0.230 nan 8.370 nan 0.000 0.481 77 G N 0.541 109.345 108.800 0.007 0.000 2.408 77 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 77 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 77 G C 1.641 176.497 174.900 -0.073 0.000 1.150 77 G CA 0.722 45.797 45.100 -0.041 0.000 0.776 77 G HN 0.247 nan 8.290 nan 0.000 0.542 78 E N 0.286 120.440 120.200 -0.078 0.000 2.046 78 E HA -0.061 4.289 4.350 0.000 0.000 0.190 78 E C 2.637 179.223 176.600 -0.024 0.000 0.982 78 E CA 0.976 57.298 56.400 -0.131 0.000 0.800 78 E CB -0.410 29.108 29.700 -0.302 0.000 0.756 78 E HN 0.161 nan 8.360 nan 0.000 0.449 79 V N 1.126 121.099 119.914 0.097 0.000 2.255 79 V HA -0.268 3.852 4.120 0.000 0.000 0.247 79 V C 2.209 178.334 176.094 0.053 0.000 1.051 79 V CA 2.425 64.821 62.300 0.160 0.000 1.018 79 V CB -0.598 31.422 31.823 0.327 0.000 0.641 79 V HN 0.322 nan 8.190 nan 0.000 0.445 80 E N -0.270 119.940 120.200 0.018 0.000 2.152 80 E HA -0.181 4.169 4.350 0.000 0.000 0.192 80 E C 2.099 178.572 176.600 -0.211 0.000 0.983 80 E CA 1.018 57.362 56.400 -0.093 0.000 0.818 80 E CB -0.191 29.460 29.700 -0.081 0.000 0.758 80 E HN 0.458 nan 8.360 nan 0.000 0.467 81 L N 1.767 122.878 121.223 -0.186 0.000 2.042 81 L HA -0.206 4.134 4.340 0.000 0.000 0.210 81 L C 1.414 178.133 176.870 -0.251 0.000 1.076 81 L CA 1.956 56.647 54.840 -0.249 0.000 0.749 81 L CB -0.349 41.584 42.059 -0.210 0.000 0.893 81 L HN -0.057 nan 8.230 nan 0.000 0.432 82 D N -0.010 120.288 120.400 -0.170 0.000 2.092 82 D HA -0.202 4.438 4.640 0.000 0.000 0.193 82 D C 2.285 178.496 176.300 -0.147 0.000 0.994 82 D CA 2.256 56.182 54.000 -0.124 0.000 0.828 82 D CB -0.249 40.529 40.800 -0.037 0.000 0.963 82 D HN 0.485 nan 8.370 nan 0.000 0.450 83 I N 0.901 121.357 120.570 -0.190 0.000 2.252 83 I HA -0.190 3.980 4.170 0.000 0.000 0.245 83 I C 2.256 178.202 176.117 -0.285 0.000 1.102 83 I CA 1.022 62.152 61.300 -0.283 0.000 1.385 83 I CB -0.229 37.586 38.000 -0.308 0.000 1.064 83 I HN -0.035 nan 8.210 nan 0.000 0.414 84 E N 0.400 120.381 120.200 -0.366 0.000 2.072 84 E HA -0.155 4.195 4.350 0.000 0.000 0.191 84 E C 2.368 178.864 176.600 -0.173 0.000 0.985 84 E CA 1.230 57.315 56.400 -0.524 0.000 0.801 84 E CB -0.016 28.918 29.700 -1.275 0.000 0.750 84 E HN 0.271 nan 8.360 nan 0.000 0.452 85 V N 1.228 121.016 119.914 -0.209 0.000 2.283 85 V HA -0.214 3.906 4.120 0.000 0.000 0.243 85 V C 2.285 178.375 176.094 -0.005 0.000 1.039 85 V CA 1.853 64.081 62.300 -0.120 0.000 1.016 85 V CB -0.593 31.057 31.823 -0.288 0.000 0.650 85 V HN 0.304 nan 8.190 nan 0.000 0.449 86 A N 0.396 123.204 122.820 -0.019 0.000 1.898 86 A HA -0.053 4.267 4.320 0.000 0.000 0.216 86 A C 2.366 180.019 177.584 0.114 0.000 1.181 86 A CA 1.842 53.957 52.037 0.130 0.000 0.620 86 A CB -1.151 17.999 19.000 0.251 0.000 0.819 86 A HN 0.535 nan 8.150 nan 0.000 0.442 87 G N -0.728 107.943 108.800 -0.216 0.000 2.422 87 G HA2 0.089 4.049 3.960 0.000 0.000 0.218 87 G HA3 0.089 4.049 3.960 0.000 0.000 0.218 87 G C 1.600 176.592 174.900 0.153 0.000 1.140 87 G CA 1.152 46.050 45.100 -0.336 0.000 0.775 87 G HN 0.762 nan 8.290 nan 0.000 0.545 88 A N -0.168 122.880 122.820 0.379 0.000 2.066 88 A HA 0.266 4.586 4.320 0.000 0.000 0.218 88 A C 2.076 179.783 177.584 0.205 0.000 1.157 88 A CA 0.921 53.178 52.037 0.368 0.000 0.670 88 A CB -0.090 19.143 19.000 0.388 0.000 0.804 88 A HN 0.301 nan 8.150 nan 0.000 0.453 89 L N -2.132 119.217 121.223 0.210 0.000 2.515 89 L HA 0.379 4.719 4.340 0.000 0.000 0.223 89 L C 1.305 178.335 176.870 0.267 0.000 1.079 89 L CA 1.014 55.987 54.840 0.222 0.000 0.857 89 L CB -0.063 42.148 42.059 0.254 0.000 1.050 89 L HN 0.311 nan 8.230 nan 0.000 0.476 90 A N 0.174 123.171 122.820 0.296 0.000 3.248 90 A HA 0.483 4.803 4.320 0.000 0.000 0.315 90 A C -1.720 176.036 177.584 0.286 0.000 0.974 90 A CA -0.638 51.562 52.037 0.272 0.000 0.939 90 A CB -0.003 19.154 19.000 0.262 0.000 1.061 90 A HN 0.037 nan 8.150 nan 0.000 0.481 91 P HA -0.080 nan 4.420 nan 0.000 0.230 91 P C 1.297 178.644 177.300 0.078 0.000 1.158 91 P CA 1.538 64.688 63.100 0.083 0.000 0.769 91 P CB 0.219 31.915 31.700 -0.007 0.000 0.807 92 G N -0.070 108.774 108.800 0.073 0.000 2.683 92 G HA2 0.214 4.174 3.960 0.000 0.000 0.213 92 G HA3 0.214 4.174 3.960 0.000 0.000 0.213 92 G C 0.805 175.707 174.900 0.004 0.000 1.142 92 G CA 0.338 45.456 45.100 0.029 0.000 0.793 92 G HN 0.446 nan 8.290 nan 0.000 0.534 93 A N 0.090 122.898 122.820 -0.020 0.000 2.406 93 A HA 0.484 4.804 4.320 0.000 0.000 0.243 93 A C 0.438 177.883 177.584 -0.232 0.000 1.082 93 A CA -0.131 51.785 52.037 -0.202 0.000 0.786 93 A CB 0.374 19.103 19.000 -0.452 0.000 1.029 93 A HN 0.217 nan 8.150 nan 0.000 0.495 94 K N 1.058 121.286 120.400 -0.287 0.000 2.211 94 K HA 0.472 4.792 4.320 0.000 0.000 0.275 94 K C -1.759 174.623 176.600 -0.362 0.000 1.024 94 K CA -0.183 56.000 56.287 -0.173 0.000 0.887 94 K CB 0.381 32.837 32.500 -0.073 0.000 1.084 94 K HN 0.488 nan 8.250 nan 0.000 0.463 95 F N 2.338 122.292 119.950 0.007 0.000 2.404 95 F HA 0.384 4.911 4.527 0.000 0.000 0.354 95 F C 0.348 176.156 175.800 0.013 0.000 1.122 95 F CA -0.649 57.359 58.000 0.013 0.000 1.080 95 F CB 1.841 40.834 39.000 -0.011 0.000 1.131 95 F HN 0.486 nan 8.300 nan 0.000 0.471 96 A N 3.889 126.793 122.820 0.139 0.000 2.267 96 A HA 0.704 5.024 4.320 0.000 0.000 0.315 96 A C -1.009 176.597 177.584 0.036 0.000 1.297 96 A CA -0.621 51.442 52.037 0.043 0.000 0.865 96 A CB 0.496 19.533 19.000 0.061 0.000 1.165 96 A HN 0.522 nan 8.150 nan 0.000 0.513 97 V N 3.900 123.784 119.914 -0.050 0.000 2.333 97 V HA 0.205 4.325 4.120 0.000 0.000 0.274 97 V C -1.016 174.913 176.094 -0.275 0.000 1.028 97 V CA -0.351 61.900 62.300 -0.083 0.000 0.851 97 V CB 0.046 31.859 31.823 -0.016 0.000 1.000 97 V HN 0.719 nan 8.190 nan 0.000 0.456 98 Y N 4.938 125.153 120.300 -0.141 0.000 2.452 98 Y HA 0.483 5.033 4.550 0.000 0.000 0.348 98 Y C 0.017 175.789 175.900 -0.215 0.000 0.985 98 Y CA -0.475 57.581 58.100 -0.072 0.000 1.214 98 Y CB 0.320 38.782 38.460 0.003 0.000 1.136 98 Y HN 0.504 nan 8.280 nan 0.000 0.523 99 F N 2.518 122.540 119.950 0.121 0.000 2.410 99 F HA 0.693 5.220 4.527 0.000 0.000 0.349 99 F C 0.394 176.217 175.800 0.039 0.000 1.117 99 F CA -0.623 57.409 58.000 0.053 0.000 1.104 99 F CB 1.062 40.076 39.000 0.022 0.000 1.122 99 F HN 0.492 nan 8.300 nan 0.000 0.483 100 A N 4.247 127.147 122.820 0.134 0.000 2.527 100 A HA 0.897 5.217 4.320 0.000 0.000 0.293 100 A C -2.893 174.689 177.584 -0.003 0.000 1.117 100 A CA -2.030 50.048 52.037 0.068 0.000 0.723 100 A CB 1.550 20.585 19.000 0.058 0.000 1.313 100 A HN 0.397 nan 8.150 nan 0.000 0.411 101 P HA 0.137 nan 4.420 nan 0.000 0.274 101 P C -0.663 176.584 177.300 -0.087 0.000 1.231 101 P CA -0.356 62.725 63.100 -0.032 0.000 0.790 101 P CB 0.418 32.114 31.700 -0.006 0.000 0.951 102 N N 1.551 120.182 118.700 -0.115 0.000 2.968 102 N HA 0.100 4.840 4.740 0.000 0.000 0.271 102 N C -0.698 174.766 175.510 -0.077 0.000 1.174 102 N CA 0.126 53.079 53.050 -0.162 0.000 1.096 102 N CB -0.731 37.653 38.487 -0.171 0.000 1.403 102 N HN 0.419 nan 8.380 nan 0.000 0.522 103 T N -1.882 112.651 114.554 -0.034 0.000 2.838 103 T HA 0.354 4.704 4.350 0.000 0.000 0.292 103 T C 0.669 175.405 174.700 0.060 0.000 1.113 103 T CA -0.717 61.383 62.100 -0.000 0.000 1.008 103 T CB 1.191 70.065 68.868 0.010 0.000 1.259 103 T HN -0.108 nan 8.240 nan 0.000 0.520 104 D N 0.729 121.161 120.400 0.053 0.000 2.097 104 D HA -0.029 4.611 4.640 0.000 0.000 0.195 104 D C 2.391 178.785 176.300 0.157 0.000 0.989 104 D CA 1.950 56.023 54.000 0.123 0.000 0.827 104 D CB -0.832 40.027 40.800 0.098 0.000 0.966 104 D HN 0.735 nan 8.370 nan 0.000 0.456 105 A N 0.865 123.745 122.820 0.099 0.000 1.865 105 A HA -0.095 4.225 4.320 0.000 0.000 0.217 105 A C 2.412 180.059 177.584 0.105 0.000 1.191 105 A CA 2.465 54.554 52.037 0.087 0.000 0.623 105 A CB -1.290 17.744 19.000 0.057 0.000 0.826 105 A HN 0.315 nan 8.150 nan 0.000 0.444 106 G N -1.309 107.551 108.800 0.099 0.000 2.446 106 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 106 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 106 G C 1.472 176.477 174.900 0.176 0.000 1.168 106 G CA 1.208 46.366 45.100 0.095 0.000 0.771 106 G HN 0.401 nan 8.290 nan 0.000 0.551 107 F N 1.127 121.091 119.950 0.023 0.000 2.134 107 F HA 0.025 4.552 4.527 0.000 0.000 0.299 107 F C 2.329 178.178 175.800 0.081 0.000 1.097 107 F CA 0.867 58.900 58.000 0.056 0.000 1.264 107 F CB -0.748 38.333 39.000 0.134 0.000 1.001 107 F HN 0.127 nan 8.300 nan 0.000 0.479 108 L N 0.676 122.021 121.223 0.204 0.000 2.046 108 L HA -0.183 4.157 4.340 0.000 0.000 0.208 108 L C 1.925 178.821 176.870 0.043 0.000 1.077 108 L CA 2.099 56.964 54.840 0.043 0.000 0.747 108 L CB -1.098 40.986 42.059 0.042 0.000 0.896 108 L HN -0.047 nan 8.230 nan 0.000 0.432 109 D N -0.211 120.238 120.400 0.083 0.000 2.183 109 D HA -0.072 4.568 4.640 0.000 0.000 0.203 109 D C 2.207 178.550 176.300 0.072 0.000 0.969 109 D CA 1.277 55.318 54.000 0.068 0.000 0.842 109 D CB -0.149 40.695 40.800 0.074 0.000 0.957 109 D HN 0.498 nan 8.370 nan 0.000 0.484 110 A N 0.771 123.654 122.820 0.105 0.000 1.898 110 A HA -0.117 4.204 4.320 0.000 0.000 0.216 110 A C 2.334 179.899 177.584 -0.031 0.000 1.181 110 A CA 0.802 52.893 52.037 0.089 0.000 0.620 110 A CB -0.672 18.413 19.000 0.142 0.000 0.819 110 A HN 0.160 nan 8.150 nan 0.000 0.442 111 I N 0.246 120.828 120.570 0.019 0.000 2.179 111 I HA -0.252 3.918 4.170 0.000 0.000 0.242 111 I C 2.937 178.986 176.117 -0.113 0.000 1.088 111 I CA 1.932 63.207 61.300 -0.043 0.000 1.357 111 I CB -0.518 37.452 38.000 -0.049 0.000 1.051 111 I HN 0.566 nan 8.210 nan 0.000 0.409 112 T N -2.672 111.846 114.554 -0.059 0.000 2.821 112 T HA -0.144 4.206 4.350 0.000 0.000 0.267 112 T C 1.837 176.569 174.700 0.052 0.000 1.046 112 T CA 1.797 63.910 62.100 0.021 0.000 1.139 112 T CB -0.823 68.109 68.868 0.106 0.000 0.871 112 T HN 0.206 nan 8.240 nan 0.000 0.454 113 T N 1.998 116.550 114.554 -0.004 0.000 2.788 113 T HA 0.098 4.448 4.350 0.000 0.000 0.268 113 T C 2.423 177.019 174.700 -0.173 0.000 1.044 113 T CA 1.310 63.411 62.100 0.003 0.000 1.139 113 T CB -0.782 68.135 68.868 0.081 0.000 0.867 113 T HN 0.628 nan 8.240 nan 0.000 0.454 114 A N 1.076 123.586 122.820 -0.516 0.000 1.873 114 A HA 0.034 4.354 4.320 0.000 0.000 0.215 114 A C 2.256 179.653 177.584 -0.313 0.000 1.186 114 A CA 1.104 52.675 52.037 -0.778 0.000 0.616 114 A CB -0.751 17.627 19.000 -1.038 0.000 0.823 114 A HN 0.494 nan 8.150 nan 0.000 0.442 115 I N -0.951 119.445 120.570 -0.291 0.000 2.264 115 I HA -0.268 3.902 4.170 0.000 0.000 0.248 115 I C 1.846 177.762 176.117 -0.336 0.000 1.111 115 I CA 1.498 62.604 61.300 -0.323 0.000 1.382 115 I CB -0.327 37.408 38.000 -0.441 0.000 1.060 115 I HN 0.445 nan 8.210 nan 0.000 0.418 116 H N -1.218 117.821 119.070 -0.051 0.000 2.551 116 H HA 0.088 4.644 4.556 0.000 0.000 0.271 116 H C 0.366 175.696 175.328 0.003 0.000 0.984 116 H CA -0.316 55.718 56.048 -0.023 0.000 1.164 116 H CB -0.027 29.721 29.762 -0.024 0.000 1.437 116 H HN 0.065 nan 8.280 nan 0.000 0.550 117 D N 2.995 123.453 120.400 0.096 0.000 2.433 117 D HA -0.059 4.581 4.640 0.000 0.000 0.274 117 D C -1.365 174.992 176.300 0.095 0.000 1.344 117 D CA -0.913 53.159 54.000 0.121 0.000 0.989 117 D CB 0.942 41.846 40.800 0.174 0.000 1.116 117 D HN 0.280 nan 8.370 nan 0.000 0.533 118 P HA -0.045 nan 4.420 nan 0.000 0.229 118 P C 0.985 178.319 177.300 0.056 0.000 1.160 118 P CA 0.546 63.683 63.100 0.062 0.000 0.777 118 P CB 0.513 32.245 31.700 0.053 0.000 0.814 119 T N -0.105 114.490 114.554 0.068 0.000 2.988 119 T HA 0.141 4.491 4.350 0.000 0.000 0.240 119 T C 1.853 176.587 174.700 0.057 0.000 1.014 119 T CA 0.629 62.763 62.100 0.056 0.000 1.155 119 T CB -0.583 68.319 68.868 0.056 0.000 0.872 119 T HN 0.016 nan 8.240 nan 0.000 0.440 120 L N 0.538 121.810 121.223 0.081 0.000 2.179 120 L HA 0.172 4.512 4.340 0.000 0.000 0.208 120 L C 0.490 177.397 176.870 0.062 0.000 1.096 120 L CA 0.515 55.401 54.840 0.077 0.000 0.779 120 L CB -0.521 41.609 42.059 0.118 0.000 0.922 120 L HN 0.258 nan 8.230 nan 0.000 0.443 121 K N -0.543 119.897 120.400 0.066 0.000 3.451 121 K HA -0.150 4.170 4.320 0.000 0.000 0.273 121 K C -2.259 174.353 176.600 0.019 0.000 0.944 121 K CA -0.329 55.979 56.287 0.036 0.000 0.734 121 K CB -1.659 30.855 32.500 0.022 0.000 1.437 121 K HN 0.228 nan 8.250 nan 0.000 0.454 122 P HA -0.042 nan 4.420 nan 0.000 0.268 122 P C 0.670 177.960 177.300 -0.017 0.000 1.204 122 P CA 0.096 63.202 63.100 0.010 0.000 0.768 122 P CB 1.138 32.859 31.700 0.035 0.000 0.842 123 S N 0.878 116.561 115.700 -0.028 0.000 2.517 123 S HA 0.185 4.655 4.470 0.000 0.000 0.214 123 S C 0.488 175.074 174.600 -0.024 0.000 0.991 123 S CA 0.008 58.191 58.200 -0.028 0.000 0.906 123 S CB -0.043 63.138 63.200 -0.033 0.000 0.789 123 S HN 0.241 nan 8.310 nan 0.000 0.513 124 V N 1.493 121.395 119.914 -0.020 0.000 2.760 124 V HA 0.589 4.709 4.120 0.000 0.000 0.309 124 V C -0.952 175.150 176.094 0.013 0.000 1.077 124 V CA -0.789 61.509 62.300 -0.002 0.000 0.910 124 V CB 2.021 33.847 31.823 0.004 0.000 1.008 124 V HN 0.165 nan 8.190 nan 0.000 0.424 125 V N 2.656 122.583 119.914 0.021 0.000 2.487 125 V HA 0.590 4.710 4.120 0.000 0.000 0.298 125 V C -0.058 176.075 176.094 0.066 0.000 1.028 125 V CA -0.306 62.018 62.300 0.039 0.000 0.860 125 V CB 2.007 33.843 31.823 0.021 0.000 0.991 125 V HN 0.882 nan 8.190 nan 0.000 0.427 126 S N 5.656 121.418 115.700 0.102 0.000 2.449 126 S HA 0.782 5.252 4.470 0.000 0.000 0.310 126 S C -0.843 173.846 174.600 0.149 0.000 1.096 126 S CA -0.442 57.825 58.200 0.112 0.000 1.095 126 S CB 0.557 63.829 63.200 0.120 0.000 1.007 126 S HN 0.540 nan 8.310 nan 0.000 0.474 127 I N 3.841 124.505 120.570 0.156 0.000 2.436 127 I HA 0.344 4.514 4.170 0.000 0.000 0.289 127 I C 0.090 176.341 176.117 0.224 0.000 1.010 127 I CA -0.340 61.111 61.300 0.252 0.000 1.098 127 I CB 2.384 40.564 38.000 0.299 0.000 1.266 127 I HN 0.577 nan 8.210 nan 0.000 0.434 128 S N 4.253 120.108 115.700 0.259 0.000 2.711 128 S HA 0.281 4.751 4.470 0.000 0.000 0.247 128 S C -1.014 173.588 174.600 0.003 0.000 1.079 128 S CA -0.522 57.724 58.200 0.077 0.000 1.050 128 S CB -0.086 63.070 63.200 -0.073 0.000 0.885 128 S HN 0.463 nan 8.310 nan 0.000 0.498 129 W N 0.407 121.770 121.300 0.105 0.000 2.844 129 W HA 0.786 5.446 4.660 0.000 0.000 0.340 129 W C 0.489 177.177 176.519 0.283 0.000 1.093 129 W CA -0.526 56.858 57.345 0.065 0.000 1.212 129 W CB 1.258 30.589 29.460 -0.214 0.000 1.422 129 W HN 0.195 nan 8.180 nan 0.000 0.515 130 G N -0.327 108.795 108.800 0.537 0.000 2.578 130 G HA2 0.671 4.631 3.960 0.000 0.000 0.302 130 G HA3 0.671 4.631 3.960 0.000 0.000 0.302 130 G C -1.075 174.183 174.900 0.597 0.000 1.243 130 G CA -0.061 45.458 45.100 0.698 0.000 0.843 130 G HN 0.997 nan 8.290 nan 0.000 0.486 131 G N -0.973 108.261 108.800 0.723 0.000 2.579 131 G HA2 0.641 4.601 3.960 0.000 0.000 0.292 131 G HA3 0.641 4.601 3.960 0.000 0.000 0.292 131 G C -3.452 171.837 174.900 0.648 0.000 1.484 131 G CA -0.712 44.709 45.100 0.535 0.000 0.813 131 G HN 0.497 nan 8.290 nan 0.000 0.515 132 P HA 0.077 nan 4.420 nan 0.000 0.264 132 P C 1.008 178.620 177.300 0.519 0.000 1.183 132 P CA 0.106 63.420 63.100 0.357 0.000 0.763 132 P CB 0.753 32.536 31.700 0.138 0.000 0.807 133 E N 2.607 123.060 120.200 0.422 0.000 2.160 133 E HA -0.261 4.089 4.350 0.000 0.000 0.195 133 E C 0.772 177.535 176.600 0.272 0.000 0.991 133 E CA 1.374 57.966 56.400 0.320 0.000 0.810 133 E CB -0.568 29.260 29.700 0.213 0.000 0.742 133 E HN 0.445 nan 8.360 nan 0.000 0.466 134 D N 1.647 122.188 120.400 0.235 0.000 2.363 134 D HA -0.118 4.522 4.640 0.000 0.000 0.220 134 D C 1.785 178.178 176.300 0.155 0.000 0.994 134 D CA 1.084 55.181 54.000 0.160 0.000 0.890 134 D CB -0.086 40.806 40.800 0.154 0.000 0.906 134 D HN 0.277 nan 8.370 nan 0.000 0.530 135 S N -1.662 114.163 115.700 0.209 0.000 2.593 135 S HA 0.078 4.548 4.470 0.000 0.000 0.217 135 S C 0.098 174.754 174.600 0.094 0.000 0.966 135 S CA -0.808 57.458 58.200 0.110 0.000 0.914 135 S CB -0.553 62.677 63.200 0.049 0.000 0.776 135 S HN 0.181 nan 8.310 nan 0.000 0.523 136 W N 3.065 124.384 121.300 0.031 0.000 2.375 136 W HA 0.511 5.171 4.660 0.000 0.000 0.336 136 W C 0.764 177.267 176.519 -0.027 0.000 1.160 136 W CA -0.636 56.718 57.345 0.015 0.000 1.266 136 W CB 0.563 30.010 29.460 -0.021 0.000 1.195 136 W HN 0.070 nan 8.180 nan 0.000 0.599 137 T N -1.490 113.185 114.554 0.201 0.000 2.898 137 T HA 0.114 4.464 4.350 0.000 0.000 0.301 137 T C 1.297 176.041 174.700 0.075 0.000 1.049 137 T CA -0.025 62.138 62.100 0.105 0.000 1.095 137 T CB 1.201 70.110 68.868 0.069 0.000 0.976 137 T HN 0.519 nan 8.240 nan 0.000 0.539 138 S N 1.670 117.376 115.700 0.011 0.000 2.419 138 S HA -0.121 4.349 4.470 0.000 0.000 0.235 138 S C 2.250 176.825 174.600 -0.041 0.000 1.019 138 S CA 0.632 58.802 58.200 -0.050 0.000 0.982 138 S CB -0.989 62.179 63.200 -0.054 0.000 0.789 138 S HN 1.018 nan 8.310 nan 0.000 0.490 139 A N 1.893 124.714 122.820 0.001 0.000 1.872 139 A HA 0.492 4.812 4.320 0.000 0.000 0.214 139 A C 2.507 180.112 177.584 0.035 0.000 1.187 139 A CA 1.334 53.380 52.037 0.013 0.000 0.614 139 A CB -1.341 17.674 19.000 0.024 0.000 0.826 139 A HN 0.861 nan 8.150 nan 0.000 0.442 140 A N -0.352 122.522 122.820 0.090 0.000 2.014 140 A HA 0.085 4.405 4.320 0.000 0.000 0.218 140 A C 2.031 179.672 177.584 0.095 0.000 1.163 140 A CA 1.125 53.261 52.037 0.164 0.000 0.652 140 A CB -0.498 18.690 19.000 0.314 0.000 0.808 140 A HN 0.487 nan 8.150 nan 0.000 0.449 141 I N -0.417 120.119 120.570 -0.056 0.000 2.233 141 I HA -0.223 3.947 4.170 0.000 0.000 0.243 141 I C 2.988 179.022 176.117 -0.139 0.000 1.093 141 I CA 0.951 62.010 61.300 -0.402 0.000 1.380 141 I CB -0.456 37.161 38.000 -0.640 0.000 1.067 141 I HN 0.351 nan 8.210 nan 0.000 0.413 142 A N 0.987 123.768 122.820 -0.065 0.000 1.917 142 A HA -0.237 4.083 4.320 0.000 0.000 0.219 142 A C 2.494 180.088 177.584 0.017 0.000 1.182 142 A CA 2.247 54.287 52.037 0.005 0.000 0.633 142 A CB -0.760 18.238 19.000 -0.005 0.000 0.819 142 A HN 0.466 nan 8.150 nan 0.000 0.448 143 A N -1.137 121.681 122.820 -0.002 0.000 1.930 143 A HA 0.055 4.375 4.320 0.000 0.000 0.215 143 A C 2.241 179.771 177.584 -0.090 0.000 1.176 143 A CA 1.448 53.471 52.037 -0.023 0.000 0.632 143 A CB -0.424 18.573 19.000 -0.005 0.000 0.819 143 A HN 0.483 nan 8.150 nan 0.000 0.445 144 M N -0.398 119.141 119.600 -0.101 0.000 2.132 144 M HA -0.140 4.340 4.480 0.000 0.000 0.263 144 M C 2.148 178.155 176.300 -0.488 0.000 1.065 144 M CA 1.419 56.504 55.300 -0.358 0.000 1.122 144 M CB -0.818 31.644 32.600 -0.230 0.000 1.365 144 M HN 0.609 nan 8.290 nan 0.000 0.411 145 N N 0.697 119.411 118.700 0.022 0.000 2.149 145 N HA -0.215 4.525 4.740 0.000 0.000 0.188 145 N C 1.857 177.441 175.510 0.123 0.000 1.019 145 N CA 1.239 54.445 53.050 0.260 0.000 0.857 145 N CB -0.014 38.735 38.487 0.436 0.000 0.997 145 N HN 0.332 nan 8.380 nan 0.000 0.426 146 R N 0.563 121.069 120.500 0.011 0.000 2.075 146 R HA -0.056 4.284 4.340 0.000 0.000 0.232 146 R C 2.154 178.395 176.300 -0.097 0.000 1.126 146 R CA 1.381 57.465 56.100 -0.027 0.000 0.963 146 R CB -0.245 30.043 30.300 -0.020 0.000 0.858 146 R HN 0.189 nan 8.270 nan 0.000 0.435 147 A N 0.311 123.017 122.820 -0.190 0.000 1.933 147 A HA -0.111 4.209 4.320 0.000 0.000 0.218 147 A C 1.799 179.280 177.584 -0.172 0.000 1.175 147 A CA 1.056 52.968 52.037 -0.208 0.000 0.628 147 A CB -0.562 18.241 19.000 -0.329 0.000 0.814 147 A HN 0.368 nan 8.150 nan 0.000 0.444 148 F N -0.666 119.232 119.950 -0.086 0.000 2.234 148 F HA -0.049 4.478 4.527 0.000 0.000 0.299 148 F C 1.970 177.605 175.800 -0.275 0.000 1.087 148 F CA 0.659 58.586 58.000 -0.121 0.000 1.340 148 F CB -0.972 38.011 39.000 -0.028 0.000 1.031 148 F HN 0.246 nan 8.300 nan 0.000 0.500 149 L N 0.510 121.578 121.223 -0.259 0.000 2.046 149 L HA -0.199 4.141 4.340 0.000 0.000 0.208 149 L C 1.919 178.570 176.870 -0.365 0.000 1.077 149 L CA 1.938 56.360 54.840 -0.697 0.000 0.747 149 L CB -0.981 40.645 42.059 -0.722 0.000 0.896 149 L HN -0.022 nan 8.230 nan 0.000 0.432 150 D N -0.082 120.200 120.400 -0.196 0.000 2.178 150 D HA -0.161 4.479 4.640 0.000 0.000 0.201 150 D C 2.198 178.419 176.300 -0.132 0.000 0.980 150 D CA 1.413 55.347 54.000 -0.110 0.000 0.842 150 D CB -0.164 40.646 40.800 0.017 0.000 0.948 150 D HN 0.524 nan 8.370 nan 0.000 0.472 151 A N 1.338 124.070 122.820 -0.146 0.000 1.883 151 A HA -0.097 4.223 4.320 0.000 0.000 0.217 151 A C 2.372 179.887 177.584 -0.114 0.000 1.186 151 A CA 2.344 54.305 52.037 -0.126 0.000 0.624 151 A CB -0.788 18.177 19.000 -0.060 0.000 0.822 151 A HN 0.241 nan 8.150 nan 0.000 0.444 152 A N 0.015 122.727 122.820 -0.181 0.000 1.859 152 A HA 0.044 4.364 4.320 0.000 0.000 0.217 152 A C 2.579 180.103 177.584 -0.100 0.000 1.198 152 A CA 2.721 54.645 52.037 -0.188 0.000 0.629 152 A CB -1.323 17.390 19.000 -0.477 0.000 0.830 152 A HN 1.241 nan 8.150 nan 0.000 0.446 153 A N -0.474 122.267 122.820 -0.132 0.000 1.892 153 A HA -0.128 4.192 4.320 0.000 0.000 0.218 153 A C 1.994 179.552 177.584 -0.044 0.000 1.188 153 A CA 1.757 53.747 52.037 -0.078 0.000 0.631 153 A CB -0.694 18.257 19.000 -0.082 0.000 0.822 153 A HN 0.518 nan 8.150 nan 0.000 0.447 154 L N -0.931 120.263 121.223 -0.048 0.000 2.627 154 L HA 0.198 4.538 4.340 0.000 0.000 0.233 154 L C 1.528 178.382 176.870 -0.028 0.000 1.144 154 L CA 0.401 55.221 54.840 -0.032 0.000 0.892 154 L CB -0.395 41.637 42.059 -0.045 0.000 1.039 154 L HN 0.627 nan 8.230 nan 0.000 0.442 155 G N 0.333 109.120 108.800 -0.022 0.000 2.176 155 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 155 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 155 G C 0.031 174.922 174.900 -0.014 0.000 1.024 155 G CA 0.089 45.183 45.100 -0.010 0.000 0.755 155 G HN 0.140 nan 8.290 nan 0.000 0.507 156 V N 1.098 120.997 119.914 -0.026 0.000 2.394 156 V HA 0.563 4.683 4.120 0.000 0.000 0.282 156 V C 0.804 176.893 176.094 -0.008 0.000 1.031 156 V CA -0.153 62.130 62.300 -0.028 0.000 0.881 156 V CB 1.658 33.447 31.823 -0.056 0.000 0.982 156 V HN 0.323 nan 8.190 nan 0.000 0.451 157 T N 4.753 119.307 114.554 0.000 0.000 2.817 157 T HA 0.502 4.852 4.350 0.000 0.000 0.293 157 T C -0.193 174.507 174.700 0.001 0.000 0.964 157 T CA -0.260 61.848 62.100 0.013 0.000 1.085 157 T CB 1.248 70.121 68.868 0.009 0.000 0.921 157 T HN 0.393 nan 8.240 nan 0.000 0.502 158 V N 4.885 124.790 119.914 -0.016 0.000 2.444 158 V HA 0.486 4.606 4.120 0.000 0.000 0.294 158 V C -0.654 175.390 176.094 -0.083 0.000 1.022 158 V CA -0.909 61.352 62.300 -0.065 0.000 0.850 158 V CB 1.234 32.960 31.823 -0.163 0.000 0.992 158 V HN 0.639 nan 8.190 nan 0.000 0.426 159 L N 4.034 125.236 121.223 -0.035 0.000 2.346 159 L HA 0.976 5.316 4.340 0.000 0.000 0.274 159 L C 0.115 176.978 176.870 -0.012 0.000 1.007 159 L CA -0.378 54.462 54.840 0.000 0.000 0.818 159 L CB 1.943 44.048 42.059 0.077 0.000 1.284 159 L HN 0.776 nan 8.230 nan 0.000 0.424 160 A N 1.581 124.393 122.820 -0.014 0.000 2.455 160 A HA 0.886 5.206 4.320 0.000 0.000 0.300 160 A C -0.487 177.129 177.584 0.053 0.000 1.040 160 A CA -0.501 51.545 52.037 0.016 0.000 0.697 160 A CB 1.366 20.329 19.000 -0.061 0.000 1.265 160 A HN 0.844 nan 8.150 nan 0.000 0.407 161 A N 0.876 123.743 122.820 0.078 0.000 2.540 161 A HA 0.477 4.797 4.320 0.000 0.000 0.239 161 A C 1.158 178.811 177.584 0.114 0.000 1.061 161 A CA 0.508 52.596 52.037 0.084 0.000 0.758 161 A CB 0.031 19.072 19.000 0.068 0.000 0.991 161 A HN 2.156 nan 8.150 nan 0.000 0.502 162 A N 1.979 124.876 122.820 0.128 0.000 2.275 162 A HA 0.544 4.864 4.320 0.000 0.000 0.212 162 A C 1.157 178.841 177.584 0.167 0.000 1.201 162 A CA 0.897 53.019 52.037 0.141 0.000 0.843 162 A CB -0.836 18.244 19.000 0.134 0.000 0.873 162 A HN 2.766 nan 8.150 nan 0.000 0.492 163 G N -1.021 107.885 108.800 0.176 0.000 2.525 163 G HA2 0.146 4.106 3.960 0.000 0.000 0.685 163 G HA3 0.146 4.106 3.960 0.000 0.000 0.685 163 G C -0.901 174.117 174.900 0.196 0.000 1.285 163 G CA -0.158 45.049 45.100 0.179 0.000 0.849 163 G HN -0.000 nan 8.290 nan 0.000 0.653 164 D N -0.180 120.323 120.400 0.172 0.000 2.513 164 D HA 0.315 4.955 4.640 0.000 0.000 0.222 164 D C 1.232 177.515 176.300 -0.028 0.000 1.210 164 D CA 0.456 54.573 54.000 0.195 0.000 0.825 164 D CB 0.892 41.894 40.800 0.337 0.000 1.037 164 D HN 0.270 nan 8.370 nan 0.000 0.506 165 S N 0.358 116.055 115.700 -0.004 0.000 2.581 165 S HA 0.506 4.976 4.470 0.000 0.000 0.245 165 S C 0.883 175.469 174.600 -0.024 0.000 1.115 165 S CA -0.103 58.080 58.200 -0.029 0.000 1.093 165 S CB 0.742 63.964 63.200 0.037 0.000 0.853 165 S HN 0.448 nan 8.310 nan 0.000 0.479 166 G N 2.597 111.348 108.800 -0.082 0.000 2.598 166 G HA2 -0.329 3.631 3.960 0.000 0.000 0.269 166 G HA3 -0.329 3.631 3.960 0.000 0.000 0.269 166 G C 0.922 175.885 174.900 0.105 0.000 1.289 166 G CA 0.142 45.230 45.100 -0.020 0.000 0.926 166 G HN 0.926 nan 8.290 nan 0.000 0.567 167 S N -1.498 114.307 115.700 0.174 0.000 2.515 167 S HA 0.058 4.528 4.470 0.000 0.000 0.231 167 S C 1.948 176.791 174.600 0.404 0.000 0.987 167 S CA 1.974 60.366 58.200 0.320 0.000 0.936 167 S CB -0.285 63.118 63.200 0.338 0.000 0.766 167 S HN 1.797 nan 8.310 nan 0.000 0.528 168 T N -2.008 112.718 114.554 0.286 0.000 3.022 168 T HA 0.201 4.551 4.350 0.000 0.000 0.250 168 T C 0.391 175.254 174.700 0.271 0.000 1.060 168 T CA 0.315 62.581 62.100 0.276 0.000 1.013 168 T CB -0.483 68.468 68.868 0.138 0.000 0.982 168 T HN 0.298 nan 8.240 nan 0.000 0.508 169 D N 1.591 122.111 120.400 0.200 0.000 2.751 169 D HA -0.146 4.494 4.640 0.000 0.000 0.233 169 D C 1.219 177.581 176.300 0.103 0.000 1.149 169 D CA 1.495 55.592 54.000 0.161 0.000 0.682 169 D CB -1.585 39.344 40.800 0.216 0.000 1.068 169 D HN 0.884 nan 8.370 nan 0.000 0.429 170 G N -0.668 108.178 108.800 0.077 0.000 2.157 170 G HA2 -0.311 3.649 3.960 0.000 0.000 0.248 170 G HA3 -0.311 3.649 3.960 0.000 0.000 0.248 170 G C 0.009 174.917 174.900 0.013 0.000 0.979 170 G CA 0.327 45.451 45.100 0.041 0.000 0.650 170 G HN 0.533 nan 8.290 nan 0.000 0.529 171 E N 0.367 120.569 120.200 0.004 0.000 2.145 171 E HA 0.378 4.728 4.350 0.000 0.000 0.270 171 E C 0.478 177.093 176.600 0.025 0.000 0.906 171 E CA -0.540 55.829 56.400 -0.051 0.000 0.761 171 E CB 0.643 30.168 29.700 -0.292 0.000 1.116 171 E HN 0.568 nan 8.360 nan 0.000 0.408 172 Q N 2.073 121.880 119.800 0.012 0.000 2.526 172 Q HA 0.060 4.400 4.340 0.000 0.000 0.353 172 Q C -0.299 175.710 176.000 0.015 0.000 0.977 172 Q CA -0.172 55.638 55.803 0.012 0.000 1.027 172 Q CB -0.106 28.633 28.738 0.001 0.000 1.272 172 Q HN 0.413 nan 8.270 nan 0.000 0.420 173 D N -0.199 120.230 120.400 0.050 0.000 2.328 173 D HA 0.082 4.722 4.640 0.000 0.000 0.221 173 D C 1.197 177.503 176.300 0.011 0.000 1.072 173 D CA 0.459 54.486 54.000 0.044 0.000 0.850 173 D CB 0.217 41.067 40.800 0.084 0.000 0.922 173 D HN 0.448 nan 8.370 nan 0.000 0.516 174 G N -0.010 108.772 108.800 -0.030 0.000 2.176 174 G HA2 -0.238 3.722 3.960 0.000 0.000 0.253 174 G HA3 -0.238 3.722 3.960 0.000 0.000 0.253 174 G C 0.062 174.818 174.900 -0.241 0.000 0.979 174 G CA 0.418 45.450 45.100 -0.113 0.000 0.641 174 G HN 0.410 nan 8.290 nan 0.000 0.530 175 L N -0.639 120.462 121.223 -0.204 0.000 2.332 175 L HA 0.722 5.062 4.340 0.000 0.000 0.269 175 L C 0.560 177.025 176.870 -0.675 0.000 1.016 175 L CA -1.661 52.924 54.840 -0.426 0.000 0.809 175 L CB 0.703 42.563 42.059 -0.331 0.000 1.280 175 L HN -0.002 nan 8.230 nan 0.000 0.447 176 Y N -0.154 119.973 120.300 -0.288 0.000 2.301 176 Y HA 0.396 4.946 4.550 0.000 0.000 0.328 176 Y C 0.258 175.919 175.900 -0.398 0.000 1.242 176 Y CA -0.020 57.975 58.100 -0.174 0.000 1.323 176 Y CB 0.577 39.038 38.460 0.003 0.000 1.266 176 Y HN 0.324 nan 8.280 nan 0.000 0.527 177 H N 0.135 119.391 119.070 0.311 0.000 3.079 177 H HA 0.499 5.055 4.556 0.000 0.000 0.356 177 H C -1.274 174.192 175.328 0.229 0.000 1.221 177 H CA -0.951 55.234 56.048 0.228 0.000 1.185 177 H CB 1.417 31.283 29.762 0.173 0.000 1.882 177 H HN 0.491 nan 8.280 nan 0.000 0.543 178 V N -0.690 119.425 119.914 0.335 0.000 2.850 178 V HA 0.451 4.571 4.120 0.000 0.000 0.315 178 V C 0.006 176.281 176.094 0.301 0.000 1.064 178 V CA -0.846 61.617 62.300 0.271 0.000 0.979 178 V CB 2.063 34.016 31.823 0.217 0.000 1.039 178 V HN 0.684 nan 8.190 nan 0.000 0.452 179 D N 0.920 121.487 120.400 0.277 0.000 2.225 179 D HA 0.525 5.165 4.640 0.000 0.000 0.249 179 D C -1.252 175.245 176.300 0.328 0.000 1.052 179 D CA -0.165 54.028 54.000 0.322 0.000 0.909 179 D CB 1.398 42.365 40.800 0.278 0.000 1.186 179 D HN 0.615 nan 8.370 nan 0.000 0.431 180 F N 3.424 123.503 119.950 0.215 0.000 2.495 180 F HA 0.440 4.967 4.527 0.000 0.000 0.327 180 F C -1.832 174.048 175.800 0.134 0.000 1.103 180 F CA -2.303 55.693 58.000 -0.006 0.000 0.949 180 F CB 2.294 41.040 39.000 -0.423 0.000 1.142 180 F HN 0.252 nan 8.300 nan 0.000 0.457 181 P HA 0.081 nan 4.420 nan 0.000 0.255 181 P C 0.861 177.743 177.300 -0.697 0.000 1.248 181 P CA 0.751 63.038 63.100 -1.355 0.000 0.807 181 P CB 0.166 31.411 31.700 -0.759 0.000 1.150 182 A N 1.471 124.141 122.820 -0.251 0.000 1.948 182 A HA -0.159 4.161 4.320 0.000 0.000 0.220 182 A C 2.360 179.887 177.584 -0.094 0.000 1.177 182 A CA 2.129 54.091 52.037 -0.125 0.000 0.636 182 A CB -1.493 17.524 19.000 0.029 0.000 0.815 182 A HN 0.262 nan 8.150 nan 0.000 0.449 183 A N -0.580 122.241 122.820 0.003 0.000 2.121 183 A HA 0.169 4.489 4.320 0.000 0.000 0.218 183 A C 1.594 179.120 177.584 -0.096 0.000 1.154 183 A CA 1.009 53.127 52.037 0.136 0.000 0.679 183 A CB -0.724 18.523 19.000 0.412 0.000 0.795 183 A HN 0.612 nan 8.150 nan 0.000 0.458 184 S N 0.434 115.939 115.700 -0.324 0.000 2.560 184 S HA 0.194 4.664 4.470 0.000 0.000 0.284 184 S C -0.978 173.307 174.600 -0.525 0.000 1.327 184 S CA -0.652 57.159 58.200 -0.648 0.000 1.055 184 S CB 0.782 63.755 63.200 -0.377 0.000 0.868 184 S HN 0.297 nan 8.310 nan 0.000 0.506 185 P HA 0.009 nan 4.420 nan 0.000 0.233 185 P C 0.106 177.301 177.300 -0.175 0.000 1.167 185 P CA 0.820 63.737 63.100 -0.305 0.000 0.770 185 P CB -0.097 31.326 31.700 -0.461 0.000 0.837 186 Y N -0.837 119.419 120.300 -0.073 0.000 2.466 186 Y HA 0.183 4.733 4.550 0.000 0.000 0.272 186 Y C 1.175 176.957 175.900 -0.196 0.000 1.169 186 Y CA -0.468 57.494 58.100 -0.230 0.000 1.285 186 Y CB -0.263 38.019 38.460 -0.298 0.000 1.078 186 Y HN -0.279 nan 8.280 nan 0.000 0.523 187 V N 1.677 121.508 119.914 -0.138 0.000 2.581 187 V HA 0.234 4.354 4.120 0.000 0.000 0.303 187 V C -0.504 175.545 176.094 -0.074 0.000 1.041 187 V CA -1.200 60.947 62.300 -0.255 0.000 0.907 187 V CB 2.166 33.645 31.823 -0.574 0.000 0.994 187 V HN -0.095 nan 8.190 nan 0.000 0.442 188 L N 5.455 126.650 121.223 -0.046 0.000 2.363 188 L HA 0.588 4.928 4.340 0.000 0.000 0.286 188 L C 0.522 177.416 176.870 0.041 0.000 1.106 188 L CA -0.432 54.422 54.840 0.022 0.000 0.859 188 L CB -0.123 41.952 42.059 0.026 0.000 1.223 188 L HN 0.757 nan 8.230 nan 0.000 0.446 189 A N 5.248 128.112 122.820 0.074 0.000 2.409 189 A HA 0.452 4.772 4.320 0.000 0.000 0.267 189 A C -0.134 177.532 177.584 0.137 0.000 1.127 189 A CA -0.298 51.791 52.037 0.086 0.000 0.795 189 A CB -0.158 18.906 19.000 0.106 0.000 1.061 189 A HN 0.827 nan 8.150 nan 0.000 0.502 190 C N 3.227 122.608 119.300 0.135 0.000 2.293 190 C HA 0.693 5.153 4.460 0.000 0.000 0.323 190 C C 1.170 176.246 174.990 0.143 0.000 1.240 190 C CA -0.412 58.711 59.018 0.175 0.000 1.497 190 C CB 0.299 28.129 27.740 0.150 0.000 2.171 190 C HN 1.081 nan 8.230 nan 0.000 0.465 191 G N 1.877 110.771 108.800 0.156 0.000 2.557 191 G HA2 0.737 4.697 3.960 0.000 0.000 0.302 191 G HA3 0.737 4.697 3.960 0.000 0.000 0.302 191 G C -0.263 174.742 174.900 0.175 0.000 1.311 191 G CA -0.376 44.815 45.100 0.152 0.000 1.030 191 G HN 1.014 nan 8.290 nan 0.000 0.509 192 G N -1.312 107.628 108.800 0.234 0.000 2.571 192 G HA2 0.654 4.614 3.960 0.000 0.000 0.304 192 G HA3 0.654 4.614 3.960 0.000 0.000 0.304 192 G C -0.350 174.730 174.900 0.301 0.000 1.314 192 G CA 0.192 45.455 45.100 0.271 0.000 0.975 192 G HN 0.979 nan 8.290 nan 0.000 0.485 193 T N -1.612 113.076 114.554 0.223 0.000 2.858 193 T HA 0.703 5.053 4.350 0.000 0.000 0.285 193 T C -0.386 174.414 174.700 0.166 0.000 1.052 193 T CA -0.952 61.282 62.100 0.222 0.000 1.009 193 T CB 2.202 71.185 68.868 0.191 0.000 1.241 193 T HN 0.571 nan 8.240 nan 0.000 0.542 194 R N 0.842 121.443 120.500 0.169 0.000 2.288 194 R HA 0.584 4.924 4.340 0.000 0.000 0.326 194 R C -1.493 174.865 176.300 0.096 0.000 0.959 194 R CA -0.834 55.336 56.100 0.116 0.000 0.834 194 R CB 0.644 31.033 30.300 0.149 0.000 1.157 194 R HN 0.590 nan 8.270 nan 0.000 0.470 195 L N 5.391 126.651 121.223 0.062 0.000 2.295 195 L HA 0.415 4.755 4.340 0.000 0.000 0.285 195 L C -1.243 175.675 176.870 0.079 0.000 1.035 195 L CA -0.392 54.461 54.840 0.021 0.000 0.806 195 L CB 1.946 43.930 42.059 -0.124 0.000 1.214 195 L HN 0.378 nan 8.230 nan 0.000 0.426 196 V N 5.558 125.504 119.914 0.054 0.000 2.349 196 V HA 0.740 4.860 4.120 0.000 0.000 0.284 196 V C 0.060 176.169 176.094 0.025 0.000 1.014 196 V CA -0.448 61.912 62.300 0.100 0.000 0.826 196 V CB 1.000 32.863 31.823 0.067 0.000 1.009 196 V HN 0.940 nan 8.190 nan 0.000 0.431 197 A N 3.627 126.476 122.820 0.048 0.000 2.304 197 A HA 0.879 5.199 4.320 0.000 0.000 0.323 197 A C -0.126 177.476 177.584 0.031 0.000 1.195 197 A CA -0.439 51.545 52.037 -0.087 0.000 0.826 197 A CB 1.555 20.323 19.000 -0.386 0.000 1.184 197 A HN 0.740 nan 8.150 nan 0.000 0.496 198 S N 1.372 117.068 115.700 -0.007 0.000 2.548 198 S HA 0.563 5.033 4.470 0.000 0.000 0.276 198 S C 0.509 175.102 174.600 -0.011 0.000 1.129 198 S CA 0.503 58.708 58.200 0.008 0.000 0.931 198 S CB 0.976 64.184 63.200 0.013 0.000 1.068 198 S HN 2.567 nan 8.310 nan 0.000 0.480 199 G N 2.533 111.328 108.800 -0.008 0.000 2.283 199 G HA2 -0.002 3.958 3.960 0.000 0.000 0.280 199 G HA3 -0.002 3.958 3.960 0.000 0.000 0.280 199 G C 1.300 176.186 174.900 -0.023 0.000 1.029 199 G CA 0.911 46.003 45.100 -0.012 0.000 0.840 199 G HN 2.248 nan 8.290 nan 0.000 0.505 200 G N -1.938 106.838 108.800 -0.041 0.000 2.162 200 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 200 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 200 G C 0.369 175.231 174.900 -0.062 0.000 0.976 200 G CA 1.083 46.148 45.100 -0.058 0.000 0.655 200 G HN 1.050 nan 8.290 nan 0.000 0.533 201 R N -0.756 119.709 120.500 -0.058 0.000 2.803 201 R HA 0.626 4.966 4.340 0.000 0.000 0.276 201 R C 0.149 176.404 176.300 -0.076 0.000 0.978 201 R CA -1.112 54.959 56.100 -0.048 0.000 0.939 201 R CB 1.422 31.712 30.300 -0.017 0.000 1.179 201 R HN 0.181 nan 8.270 nan 0.000 0.472 202 I N 2.448 122.966 120.570 -0.088 0.000 2.406 202 I HA 0.012 4.182 4.170 0.000 0.000 0.293 202 I C 1.203 177.294 176.117 -0.044 0.000 1.101 202 I CA 0.243 61.467 61.300 -0.126 0.000 1.334 202 I CB 1.255 39.078 38.000 -0.295 0.000 1.421 202 I HN 0.813 nan 8.210 nan 0.000 0.513 203 A N 5.676 128.484 122.820 -0.021 0.000 1.975 203 A HA 0.039 4.359 4.320 0.000 0.000 0.215 203 A C 0.860 178.470 177.584 0.044 0.000 1.170 203 A CA 0.885 52.933 52.037 0.019 0.000 0.656 203 A CB 0.177 19.188 19.000 0.018 0.000 0.821 203 A HN 0.759 nan 8.150 nan 0.000 0.449 204 Q N -1.386 118.438 119.800 0.041 0.000 2.426 204 Q HA 0.478 4.818 4.340 0.000 0.000 0.278 204 Q C -2.078 173.969 176.000 0.079 0.000 1.007 204 Q CA -0.474 55.375 55.803 0.076 0.000 0.850 204 Q CB 1.603 30.381 28.738 0.067 0.000 1.427 204 Q HN 0.364 nan 8.270 nan 0.000 0.391 205 E N 1.799 122.079 120.200 0.134 0.000 2.349 205 E HA 0.387 4.737 4.350 0.000 0.000 0.290 205 E C -1.681 175.013 176.600 0.157 0.000 0.901 205 E CA -0.189 56.297 56.400 0.145 0.000 0.800 205 E CB 1.584 31.379 29.700 0.159 0.000 1.303 205 E HN 0.724 nan 8.360 nan 0.000 0.397 206 T N -0.960 113.674 114.554 0.134 0.000 2.864 206 T HA 0.501 4.851 4.350 0.000 0.000 0.289 206 T C -0.067 174.714 174.700 0.134 0.000 1.082 206 T CA -0.759 61.411 62.100 0.117 0.000 1.009 206 T CB 1.173 70.100 68.868 0.099 0.000 1.234 206 T HN 0.133 nan 8.240 nan 0.000 0.526 207 V N 1.557 121.537 119.914 0.111 0.000 2.599 207 V HA 0.088 4.208 4.120 0.000 0.000 0.300 207 V C 0.166 176.383 176.094 0.205 0.000 1.034 207 V CA -0.349 62.028 62.300 0.129 0.000 1.115 207 V CB -0.192 31.672 31.823 0.068 0.000 0.934 207 V HN 0.847 nan 8.190 nan 0.000 0.485 208 W N 7.468 128.796 121.300 0.047 0.000 2.446 208 W HA 0.342 5.002 4.660 -0.000 0.000 0.316 208 W C 0.120 176.666 176.519 0.045 0.000 1.376 208 W CA -0.532 56.842 57.345 0.049 0.000 1.300 208 W CB -0.101 29.392 29.460 0.056 0.000 1.351 208 W HN 0.653 nan 8.180 nan 0.000 0.530 209 N N 5.256 123.909 118.700 -0.079 0.000 2.699 209 N HA 0.056 4.796 4.740 0.000 0.000 0.271 209 N C -1.280 174.151 175.510 -0.131 0.000 1.216 209 N CA -0.208 52.678 53.050 -0.274 0.000 0.844 209 N CB 0.744 39.157 38.487 -0.122 0.000 1.462 209 N HN 0.354 nan 8.380 nan 0.000 0.555 210 D N 1.968 122.246 120.400 -0.202 0.000 2.525 210 D HA 0.347 4.987 4.640 0.000 0.000 0.229 210 D C 0.790 177.064 176.300 -0.042 0.000 1.202 210 D CA 0.499 54.494 54.000 -0.009 0.000 0.828 210 D CB 0.094 40.985 40.800 0.152 0.000 1.008 210 D HN 0.895 nan 8.370 nan 0.000 0.493 211 G N 1.640 110.388 108.800 -0.086 0.000 2.758 211 G HA2 -0.210 3.750 3.960 0.000 0.000 0.686 211 G HA3 -0.210 3.750 3.960 0.000 0.000 0.686 211 G C -1.956 172.908 174.900 -0.061 0.000 1.389 211 G CA -1.018 44.050 45.100 -0.052 0.000 0.845 211 G HN -0.067 nan 8.290 nan 0.000 0.572 212 P HA -0.092 nan 4.420 nan 0.000 0.218 212 P C 1.179 178.469 177.300 -0.017 0.000 1.150 212 P CA 1.903 64.986 63.100 -0.029 0.000 0.841 212 P CB 0.086 31.779 31.700 -0.013 0.000 0.784 213 D N -2.200 118.197 120.400 -0.005 0.000 2.305 213 D HA 0.046 4.686 4.640 0.000 0.000 0.206 213 D C 1.942 178.262 176.300 0.033 0.000 0.974 213 D CA 1.125 55.133 54.000 0.013 0.000 0.871 213 D CB -0.423 40.387 40.800 0.017 0.000 0.947 213 D HN 0.213 nan 8.370 nan 0.000 0.516 214 G N -0.613 108.209 108.800 0.036 0.000 3.192 214 G HA2 0.437 4.397 3.960 0.000 0.000 0.239 214 G HA3 0.437 4.397 3.960 0.000 0.000 0.239 214 G C 0.740 175.721 174.900 0.135 0.000 1.084 214 G CA 0.311 45.473 45.100 0.105 0.000 0.784 214 G HN 0.479 nan 8.290 nan 0.000 0.540 215 G N -1.131 107.643 108.800 -0.044 0.000 2.699 215 G HA2 0.461 4.421 3.960 0.000 0.000 0.686 215 G HA3 0.461 4.421 3.960 0.000 0.000 0.686 215 G C -0.359 174.001 174.900 -0.901 0.000 1.301 215 G CA -0.384 44.557 45.100 -0.266 0.000 0.816 215 G HN 1.521 nan 8.290 nan 0.000 0.595 216 A N -0.393 121.725 122.820 -1.169 0.000 2.594 216 A HA 0.971 5.292 4.320 0.000 0.000 0.291 216 A C 0.217 177.251 177.584 -0.916 0.000 1.105 216 A CA 0.701 51.955 52.037 -1.305 0.000 0.694 216 A CB 1.499 20.171 19.000 -0.548 0.000 1.291 216 A HN 2.312 nan 8.150 nan 0.000 0.410 217 T N 0.466 114.781 114.554 -0.397 0.000 2.930 217 T HA 0.452 4.802 4.350 0.000 0.000 0.306 217 T C 0.905 175.630 174.700 0.041 0.000 1.045 217 T CA 0.771 62.922 62.100 0.086 0.000 1.134 217 T CB 0.007 69.016 68.868 0.236 0.000 0.961 217 T HN 1.419 nan 8.240 nan 0.000 0.545 218 G N 1.631 110.501 108.800 0.115 0.000 2.594 218 G HA2 0.544 4.504 3.960 0.000 0.000 0.243 218 G HA3 0.544 4.504 3.960 0.000 0.000 0.243 218 G C 0.178 175.138 174.900 0.101 0.000 1.229 218 G CA -0.032 45.139 45.100 0.118 0.000 0.843 218 G HN 1.144 nan 8.290 nan 0.000 0.578 219 G N -1.488 107.371 108.800 0.098 0.000 2.384 219 G HA2 0.717 4.677 3.960 0.000 0.000 0.300 219 G HA3 0.717 4.677 3.960 0.000 0.000 0.300 219 G C -0.240 174.635 174.900 -0.042 0.000 1.582 219 G CA 0.462 45.577 45.100 0.026 0.000 0.875 219 G HN 2.135 nan 8.290 nan 0.000 0.628 220 G N -1.745 106.924 108.800 -0.217 0.000 2.439 220 G HA2 0.543 4.503 3.960 0.000 0.000 0.186 220 G HA3 0.543 4.503 3.960 0.000 0.000 0.186 220 G C -1.672 173.053 174.900 -0.292 0.000 1.260 220 G CA 0.492 45.219 45.100 -0.621 0.000 1.020 220 G HN 1.740 nan 8.290 nan 0.000 0.470 221 V N 0.861 120.684 119.914 -0.153 0.000 2.577 221 V HA 0.668 4.788 4.120 0.000 0.000 0.303 221 V C 0.616 176.749 176.094 0.064 0.000 1.042 221 V CA -0.218 62.070 62.300 -0.020 0.000 0.872 221 V CB 1.268 33.083 31.823 -0.014 0.000 0.998 221 V HN 1.086 nan 8.190 nan 0.000 0.423 222 S N 3.483 119.232 115.700 0.082 0.000 2.560 222 S HA 0.253 4.723 4.470 0.000 0.000 0.284 222 S C 0.935 175.576 174.600 0.067 0.000 1.327 222 S CA -0.026 58.247 58.200 0.122 0.000 1.055 222 S CB 0.391 63.717 63.200 0.210 0.000 0.868 222 S HN 0.712 nan 8.310 nan 0.000 0.506 223 R N 3.150 123.681 120.500 0.052 0.000 2.397 223 R HA 0.417 4.757 4.340 0.000 0.000 0.241 223 R C 1.075 177.335 176.300 -0.066 0.000 0.914 223 R CA 0.188 56.292 56.100 0.006 0.000 1.071 223 R CB 0.124 30.441 30.300 0.027 0.000 1.116 223 R HN 0.646 nan 8.270 nan 0.000 0.524 224 I N -0.990 119.500 120.570 -0.134 0.000 3.445 224 I HA 0.128 4.298 4.170 0.000 0.000 0.288 224 I C -0.301 175.531 176.117 -0.476 0.000 1.198 224 I CA 0.283 61.352 61.300 -0.385 0.000 1.417 224 I CB 0.521 38.134 38.000 -0.646 0.000 1.205 224 I HN -0.091 nan 8.210 nan 0.000 0.448 225 F N 3.024 122.952 119.950 -0.037 0.000 2.436 225 F HA 0.415 4.942 4.527 0.000 0.000 0.340 225 F C -2.086 173.655 175.800 -0.099 0.000 1.113 225 F CA -2.994 54.967 58.000 -0.064 0.000 1.022 225 F CB 0.495 39.461 39.000 -0.058 0.000 1.128 225 F HN -0.215 nan 8.300 nan 0.000 0.466 226 P HA 0.071 nan 4.420 nan 0.000 0.274 226 P C -0.526 176.690 177.300 -0.141 0.000 1.256 226 P CA -0.461 62.608 63.100 -0.052 0.000 0.795 226 P CB 1.180 32.843 31.700 -0.061 0.000 1.038 227 L N 3.062 124.165 121.223 -0.199 0.000 2.584 227 L HA 0.144 4.484 4.340 0.000 0.000 0.272 227 L C -1.933 174.678 176.870 -0.432 0.000 1.195 227 L CA -1.039 53.600 54.840 -0.335 0.000 0.920 227 L CB -0.686 41.196 42.059 -0.295 0.000 1.173 227 L HN 0.286 nan 8.230 nan 0.000 0.489 228 P HA 0.118 nan 4.420 nan 0.000 0.277 228 P C -0.053 176.783 177.300 -0.773 0.000 1.240 228 P CA -0.293 62.308 63.100 -0.831 0.000 0.798 228 P CB 1.213 31.968 31.700 -1.575 0.000 0.979 229 A N 3.097 125.638 122.820 -0.466 0.000 2.024 229 A HA -0.143 4.177 4.320 0.000 0.000 0.220 229 A C 1.733 179.163 177.584 -0.257 0.000 1.164 229 A CA 1.134 53.005 52.037 -0.277 0.000 0.643 229 A CB -1.396 17.557 19.000 -0.078 0.000 0.806 229 A HN 0.805 nan 8.150 nan 0.000 0.451 230 W N -1.185 119.988 121.300 -0.212 0.000 3.077 230 W HA 0.127 4.787 4.660 -0.000 0.000 0.245 230 W C 0.618 176.871 176.519 -0.443 0.000 1.316 230 W CA 0.510 57.705 57.345 -0.251 0.000 1.537 230 W CB -0.616 28.692 29.460 -0.253 0.000 1.131 230 W HN 0.423 nan 8.180 nan 0.000 0.695 231 Q N 0.606 119.981 119.800 -0.708 0.000 2.172 231 Q HA 0.002 4.342 4.340 0.000 0.000 0.217 231 Q C 1.515 177.242 176.000 -0.455 0.000 0.832 231 Q CA -0.116 55.269 55.803 -0.696 0.000 1.010 231 Q CB 0.405 28.541 28.738 -1.002 0.000 1.133 231 Q HN 0.132 nan 8.270 nan 0.000 0.489 232 E N 0.190 120.165 120.200 -0.376 0.000 2.265 232 E HA -0.144 4.206 4.350 0.000 0.000 0.196 232 E C 0.751 177.070 176.600 -0.467 0.000 0.996 232 E CA 1.056 57.201 56.400 -0.426 0.000 0.832 232 E CB 0.204 29.601 29.700 -0.505 0.000 0.756 232 E HN 0.455 nan 8.360 nan 0.000 0.491 233 H N -1.467 117.549 119.070 -0.091 0.000 2.674 233 H HA 0.379 4.935 4.556 0.000 0.000 0.274 233 H C 0.898 176.219 175.328 -0.011 0.000 1.121 233 H CA 0.296 56.325 56.048 -0.031 0.000 1.132 233 H CB 0.738 30.506 29.762 0.010 0.000 1.606 233 H HN 0.055 nan 8.280 nan 0.000 0.558 234 A N 0.614 123.432 122.820 -0.004 0.000 2.275 234 A HA 0.013 4.333 4.320 0.000 0.000 0.212 234 A C 0.734 178.319 177.584 0.002 0.000 1.201 234 A CA -0.203 51.828 52.037 -0.010 0.000 0.843 234 A CB -0.005 18.833 19.000 -0.270 0.000 0.873 234 A HN 0.261 nan 8.150 nan 0.000 0.492 235 N N -0.381 118.304 118.700 -0.024 0.000 2.705 235 N HA -0.127 4.613 4.740 0.000 0.000 0.255 235 N C -0.392 175.143 175.510 0.043 0.000 1.008 235 N CA 0.888 53.950 53.050 0.022 0.000 0.742 235 N CB -1.580 36.963 38.487 0.094 0.000 0.906 235 N HN 0.212 nan 8.380 nan 0.000 0.541 236 V N 1.696 121.525 119.914 -0.140 0.000 2.521 236 V HA 0.219 4.339 4.120 0.000 0.000 0.286 236 V C -0.906 175.182 176.094 -0.010 0.000 1.034 236 V CA -0.850 61.351 62.300 -0.166 0.000 1.045 236 V CB 0.903 32.423 31.823 -0.506 0.000 0.974 236 V HN 0.237 nan 8.190 nan 0.000 0.480 237 P HA 0.364 nan 4.420 nan 0.000 0.276 237 P C -2.668 174.660 177.300 0.046 0.000 1.261 237 P CA -1.518 61.631 63.100 0.081 0.000 0.800 237 P CB 0.169 31.964 31.700 0.158 0.000 1.066 238 P HA 0.013 nan 4.420 nan 0.000 0.273 238 P C 0.237 177.594 177.300 0.096 0.000 1.250 238 P CA -0.124 62.998 63.100 0.038 0.000 0.793 238 P CB 0.203 31.919 31.700 0.027 0.000 1.011 239 S N -0.408 115.347 115.700 0.092 0.000 2.563 239 S HA 0.179 4.649 4.470 0.000 0.000 0.284 239 S C 1.459 176.157 174.600 0.162 0.000 1.331 239 S CA 0.107 58.402 58.200 0.158 0.000 1.047 239 S CB -0.263 63.008 63.200 0.117 0.000 0.859 239 S HN 0.488 nan 8.310 nan 0.000 0.514 240 A N 4.421 127.351 122.820 0.184 0.000 2.169 240 A HA 0.137 4.457 4.320 0.000 0.000 0.212 240 A C 0.802 178.462 177.584 0.126 0.000 1.153 240 A CA 0.060 52.122 52.037 0.043 0.000 0.756 240 A CB -0.457 18.352 19.000 -0.320 0.000 0.813 240 A HN 0.815 nan 8.150 nan 0.000 0.471 241 N N 1.449 120.248 118.700 0.165 0.000 2.454 241 N HA 0.222 4.962 4.740 0.000 0.000 0.254 241 N C -2.844 172.702 175.510 0.060 0.000 1.228 241 N CA -1.116 51.998 53.050 0.107 0.000 0.900 241 N CB -0.019 38.506 38.487 0.063 0.000 1.089 241 N HN 0.093 nan 8.380 nan 0.000 0.449 242 P HA 0.093 nan 4.420 nan 0.000 0.268 242 P C 0.927 178.239 177.300 0.019 0.000 1.204 242 P CA 0.417 63.532 63.100 0.025 0.000 0.768 242 P CB 0.467 32.177 31.700 0.016 0.000 0.842 243 G N 1.505 110.315 108.800 0.016 0.000 2.234 243 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 243 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 243 G C 0.482 175.389 174.900 0.012 0.000 0.987 243 G CA 0.140 45.246 45.100 0.010 0.000 0.625 243 G HN 0.871 nan 8.290 nan 0.000 0.532 244 A N 0.058 122.892 122.820 0.022 0.000 2.304 244 A HA 0.852 5.172 4.320 0.000 0.000 0.271 244 A C 0.872 178.465 177.584 0.016 0.000 1.091 244 A CA 1.033 53.083 52.037 0.022 0.000 0.812 244 A CB 0.766 19.789 19.000 0.039 0.000 1.056 244 A HN 1.761 nan 8.150 nan 0.000 0.489 245 S N 0.125 115.828 115.700 0.005 0.000 2.694 245 S HA 0.692 5.162 4.470 0.000 0.000 0.286 245 S C 0.441 175.033 174.600 -0.013 0.000 1.080 245 S CA 0.049 58.245 58.200 -0.007 0.000 0.953 245 S CB 0.087 63.276 63.200 -0.018 0.000 1.313 245 S HN 1.652 nan 8.310 nan 0.000 0.555 246 S N -0.587 115.092 115.700 -0.036 0.000 2.579 246 S HA 0.643 5.113 4.470 0.000 0.000 0.275 246 S C 0.253 174.813 174.600 -0.066 0.000 1.345 246 S CA -0.034 58.130 58.200 -0.061 0.000 1.031 246 S CB 0.041 63.188 63.200 -0.088 0.000 0.892 246 S HN 1.513 nan 8.310 nan 0.000 0.529 247 G N 0.969 109.717 108.800 -0.087 0.000 2.608 247 G HA2 0.454 4.414 3.960 0.000 0.000 0.291 247 G HA3 0.454 4.414 3.960 0.000 0.000 0.291 247 G C -1.227 173.596 174.900 -0.129 0.000 1.425 247 G CA -1.156 43.901 45.100 -0.071 0.000 0.787 247 G HN 0.757 nan 8.290 nan 0.000 0.484 248 R N 0.357 120.799 120.500 -0.096 0.000 2.480 248 R HA 0.217 4.557 4.340 0.000 0.000 0.303 248 R C 0.547 176.779 176.300 -0.113 0.000 0.985 248 R CA 0.426 56.425 56.100 -0.168 0.000 1.051 248 R CB -0.101 30.154 30.300 -0.075 0.000 0.935 248 R HN 0.691 nan 8.270 nan 0.000 0.410 249 G N 3.004 111.685 108.800 -0.199 0.000 2.372 249 G HA2 0.407 4.367 3.960 0.000 0.000 0.283 249 G HA3 0.407 4.367 3.960 0.000 0.000 0.283 249 G C -0.728 174.369 174.900 0.328 0.000 1.177 249 G CA -0.545 44.584 45.100 0.049 0.000 0.842 249 G HN 0.438 nan 8.290 nan 0.000 0.503 250 V N 5.211 125.329 119.914 0.341 0.000 2.513 250 V HA 0.520 4.640 4.120 0.000 0.000 0.299 250 V C -1.715 174.477 176.094 0.163 0.000 1.035 250 V CA -1.328 61.128 62.300 0.260 0.000 0.889 250 V CB 2.196 34.110 31.823 0.152 0.000 0.988 250 V HN 0.722 nan 8.190 nan 0.000 0.440 251 P HA 0.439 nan 4.420 nan 0.000 0.325 251 P C -0.471 177.031 177.300 0.337 0.000 1.298 251 P CA -0.259 62.958 63.100 0.195 0.000 0.771 251 P CB 1.989 33.757 31.700 0.114 0.000 1.389 252 D N -1.367 119.209 120.400 0.294 0.000 2.394 252 D HA 0.239 4.879 4.640 0.000 0.000 0.226 252 D C 0.613 176.958 176.300 0.074 0.000 0.990 252 D CA 0.851 55.057 54.000 0.342 0.000 0.902 252 D CB 0.622 41.610 40.800 0.314 0.000 1.038 252 D HN 0.213 nan 8.370 nan 0.000 0.499 253 L N -0.178 121.088 121.223 0.071 0.000 2.359 253 L HA 0.706 5.046 4.340 0.000 0.000 0.256 253 L C -1.072 175.891 176.870 0.154 0.000 1.026 253 L CA -0.939 53.913 54.840 0.020 0.000 0.828 253 L CB 2.494 44.518 42.059 -0.057 0.000 1.406 253 L HN -0.158 nan 8.230 nan 0.000 0.413 254 A N -0.008 122.922 122.820 0.183 0.000 2.556 254 A HA 0.977 5.297 4.320 0.000 0.000 0.294 254 A C -0.841 176.950 177.584 0.344 0.000 1.091 254 A CA -0.088 52.103 52.037 0.256 0.000 0.704 254 A CB 2.054 21.133 19.000 0.131 0.000 1.300 254 A HN 0.799 nan 8.150 nan 0.000 0.406 255 G N -0.237 108.720 108.800 0.261 0.000 2.684 255 G HA2 0.467 4.427 3.960 0.000 0.000 0.290 255 G HA3 0.467 4.427 3.960 0.000 0.000 0.290 255 G C -1.002 174.032 174.900 0.223 0.000 1.425 255 G CA -0.783 44.480 45.100 0.271 0.000 0.822 255 G HN 0.953 nan 8.290 nan 0.000 0.482 256 N N -0.234 118.653 118.700 0.313 0.000 2.301 256 N HA 0.307 5.047 4.740 0.000 0.000 0.267 256 N C 0.769 176.310 175.510 0.052 0.000 1.304 256 N CA 1.147 54.263 53.050 0.110 0.000 0.851 256 N CB 1.011 39.465 38.487 -0.054 0.000 1.070 256 N HN 0.822 nan 8.380 nan 0.000 0.483 257 A N 2.859 125.596 122.820 -0.140 0.000 2.591 257 A HA 0.087 4.407 4.320 0.000 0.000 0.204 257 A C 0.123 177.094 177.584 -1.022 0.000 1.410 257 A CA -0.347 51.442 52.037 -0.414 0.000 1.065 257 A CB -0.047 18.714 19.000 -0.398 0.000 1.362 257 A HN 0.646 nan 8.150 nan 0.000 0.566 258 D N 1.479 121.347 120.400 -0.886 0.000 2.412 258 D HA 0.173 4.813 4.640 0.000 0.000 0.257 258 D C -1.644 174.380 176.300 -0.459 0.000 1.217 258 D CA -1.415 52.023 54.000 -0.937 0.000 0.897 258 D CB 1.277 41.938 40.800 -0.231 0.000 1.132 258 D HN 0.046 nan 8.370 nan 0.000 0.493 259 P HA -0.093 nan 4.420 nan 0.000 0.219 259 P C 0.766 178.017 177.300 -0.082 0.000 1.146 259 P CA 1.029 64.043 63.100 -0.143 0.000 0.808 259 P CB 0.170 31.848 31.700 -0.037 0.000 0.779 260 A N -0.745 122.054 122.820 -0.034 0.000 2.209 260 A HA -0.022 4.298 4.320 0.000 0.000 0.212 260 A C 1.324 178.861 177.584 -0.078 0.000 1.158 260 A CA 1.604 53.623 52.037 -0.029 0.000 0.742 260 A CB -1.207 17.808 19.000 0.025 0.000 0.790 260 A HN 0.318 nan 8.150 nan 0.000 0.472 261 T N -3.435 111.054 114.554 -0.108 0.000 3.584 261 T HA 0.516 4.866 4.350 0.000 0.000 0.259 261 T C 0.591 175.183 174.700 -0.179 0.000 1.009 261 T CA 0.154 62.173 62.100 -0.134 0.000 1.103 261 T CB 0.113 68.974 68.868 -0.012 0.000 1.099 261 T HN 0.344 nan 8.240 nan 0.000 0.539 262 G N 0.606 109.283 108.800 -0.205 0.000 2.553 262 G HA2 0.505 4.465 3.960 0.000 0.000 0.278 262 G HA3 0.505 4.465 3.960 0.000 0.000 0.278 262 G C -1.067 173.662 174.900 -0.285 0.000 1.349 262 G CA -0.808 44.165 45.100 -0.212 0.000 1.037 262 G HN 0.476 nan 8.290 nan 0.000 0.508 263 Y N -0.089 120.178 120.300 -0.054 0.000 2.320 263 Y HA 0.333 4.883 4.550 0.000 0.000 0.334 263 Y C 0.589 176.471 175.900 -0.029 0.000 1.055 263 Y CA -0.432 57.652 58.100 -0.028 0.000 1.143 263 Y CB 1.318 39.744 38.460 -0.056 0.000 1.193 263 Y HN 0.423 nan 8.280 nan 0.000 0.477 264 E N 3.156 123.430 120.200 0.123 0.000 2.257 264 E HA 0.405 4.755 4.350 0.000 0.000 0.278 264 E C -0.647 176.050 176.600 0.161 0.000 1.049 264 E CA -0.413 56.041 56.400 0.089 0.000 0.876 264 E CB 0.692 30.421 29.700 0.050 0.000 1.035 264 E HN 0.467 nan 8.360 nan 0.000 0.419 265 V N -0.301 119.664 119.914 0.084 0.000 3.167 265 V HA 0.634 4.754 4.120 0.000 0.000 0.310 265 V C -0.649 175.440 176.094 -0.008 0.000 1.207 265 V CA -1.076 61.214 62.300 -0.016 0.000 1.059 265 V CB 2.061 33.767 31.823 -0.194 0.000 1.079 265 V HN 0.287 nan 8.190 nan 0.000 0.446 266 V N 3.114 122.975 119.914 -0.088 0.000 2.376 266 V HA 0.522 4.642 4.120 0.000 0.000 0.287 266 V C -0.821 175.213 176.094 -0.100 0.000 1.015 266 V CA -0.244 62.031 62.300 -0.041 0.000 0.834 266 V CB 1.134 32.979 31.823 0.037 0.000 1.001 266 V HN 0.671 nan 8.190 nan 0.000 0.428 267 I N 3.860 124.392 120.570 -0.063 0.000 2.354 267 I HA 0.447 4.617 4.170 0.000 0.000 0.286 267 I C 0.410 176.515 176.117 -0.021 0.000 1.007 267 I CA -0.527 60.742 61.300 -0.053 0.000 1.167 267 I CB 0.948 38.919 38.000 -0.049 0.000 1.320 267 I HN 0.608 nan 8.210 nan 0.000 0.458 268 D N 5.605 126.001 120.400 -0.007 0.000 2.737 268 D HA -0.197 4.443 4.640 0.000 0.000 0.233 268 D C 1.337 177.639 176.300 0.003 0.000 1.155 268 D CA 1.660 55.664 54.000 0.006 0.000 0.667 268 D CB -0.900 39.904 40.800 0.007 0.000 1.060 268 D HN 1.124 nan 8.370 nan 0.000 0.427 269 G N -0.457 108.344 108.800 0.001 0.000 2.195 269 G HA2 -0.315 3.645 3.960 0.000 0.000 0.246 269 G HA3 -0.315 3.645 3.960 0.000 0.000 0.246 269 G C 0.043 174.944 174.900 0.001 0.000 0.984 269 G CA 0.512 45.615 45.100 0.004 0.000 0.633 269 G HN 0.689 nan 8.290 nan 0.000 0.525 270 E N 0.374 120.572 120.200 -0.004 0.000 2.175 270 E HA 0.765 5.115 4.350 0.000 0.000 0.278 270 E C 0.213 176.810 176.600 -0.006 0.000 0.969 270 E CA -0.375 56.022 56.400 -0.005 0.000 0.796 270 E CB 1.763 31.460 29.700 -0.007 0.000 1.104 270 E HN 0.939 nan 8.360 nan 0.000 0.395 271 A N 3.137 125.957 122.820 -0.000 0.000 2.401 271 A HA 0.504 4.824 4.320 0.000 0.000 0.259 271 A C 0.103 177.684 177.584 -0.005 0.000 1.103 271 A CA 0.103 52.143 52.037 0.005 0.000 0.789 271 A CB 0.918 19.923 19.000 0.008 0.000 1.035 271 A HN 0.690 nan 8.150 nan 0.000 0.491 272 T N 0.499 115.049 114.554 -0.006 0.000 2.739 272 T HA 0.517 4.867 4.350 0.000 0.000 0.303 272 T C -1.649 173.044 174.700 -0.011 0.000 1.389 272 T CA -0.333 61.759 62.100 -0.014 0.000 1.001 272 T CB 1.110 69.967 68.868 -0.019 0.000 1.436 272 T HN 0.807 nan 8.240 nan 0.000 0.500 273 V N 2.893 122.797 119.914 -0.017 0.000 2.444 273 V HA 0.634 4.754 4.120 0.000 0.000 0.294 273 V C -0.420 175.666 176.094 -0.013 0.000 1.022 273 V CA -0.597 61.694 62.300 -0.015 0.000 0.850 273 V CB 1.105 32.903 31.823 -0.043 0.000 0.992 273 V HN 0.723 nan 8.190 nan 0.000 0.426 274 I N 2.998 123.574 120.570 0.010 0.000 2.689 274 I HA 0.816 4.986 4.170 0.000 0.000 0.299 274 I C 0.741 176.878 176.117 0.034 0.000 1.059 274 I CA -0.294 61.004 61.300 -0.004 0.000 1.055 274 I CB 2.460 40.438 38.000 -0.038 0.000 1.243 274 I HN 0.733 nan 8.210 nan 0.000 0.425 275 G N 2.064 110.837 108.800 -0.044 0.000 3.264 275 G HA2 0.783 4.743 3.960 0.000 0.000 0.168 275 G HA3 0.783 4.743 3.960 0.000 0.000 0.168 275 G C -0.304 174.476 174.900 -0.200 0.000 1.145 275 G CA -0.569 44.463 45.100 -0.114 0.000 0.855 275 G HN 1.105 nan 8.290 nan 0.000 0.629 276 G N -2.169 106.371 108.800 -0.433 0.000 2.675 276 G HA2 0.257 4.217 3.960 0.000 0.000 0.686 276 G HA3 0.257 4.217 3.960 0.000 0.000 0.686 276 G C 0.811 175.593 174.900 -0.197 0.000 1.215 276 G CA 0.565 45.501 45.100 -0.272 0.000 0.777 276 G HN 1.784 nan 8.290 nan 0.000 0.638 277 T N -1.391 113.167 114.554 0.008 0.000 3.025 277 T HA -0.024 4.326 4.350 0.000 0.000 0.270 277 T C 2.410 177.089 174.700 -0.036 0.000 1.126 277 T CA 2.149 64.272 62.100 0.038 0.000 1.105 277 T CB -0.136 68.829 68.868 0.163 0.000 0.884 277 T HN 0.972 nan 8.240 nan 0.000 0.522 278 S N 1.543 117.202 115.700 -0.069 0.000 2.420 278 S HA -0.023 4.447 4.470 0.000 0.000 0.237 278 S C 2.350 176.849 174.600 -0.168 0.000 1.023 278 S CA 1.109 59.237 58.200 -0.120 0.000 0.991 278 S CB -0.597 62.503 63.200 -0.167 0.000 0.792 278 S HN 0.848 nan 8.310 nan 0.000 0.488 279 A N 0.105 122.790 122.820 -0.226 0.000 2.132 279 A HA 0.204 4.524 4.320 0.000 0.000 0.213 279 A C 2.074 179.446 177.584 -0.353 0.000 1.154 279 A CA 0.385 52.197 52.037 -0.376 0.000 0.753 279 A CB -0.142 18.473 19.000 -0.642 0.000 0.826 279 A HN 0.354 nan 8.150 nan 0.000 0.469 280 V N -0.308 119.447 119.914 -0.265 0.000 2.407 280 V HA -0.116 4.004 4.120 0.000 0.000 0.245 280 V C 2.966 178.839 176.094 -0.368 0.000 1.041 280 V CA 1.609 63.676 62.300 -0.387 0.000 1.040 280 V CB -0.978 30.675 31.823 -0.284 0.000 0.671 280 V HN 0.537 nan 8.190 nan 0.000 0.455 281 A N 0.747 123.479 122.820 -0.146 0.000 1.877 281 A HA -0.081 4.239 4.320 0.000 0.000 0.216 281 A C 0.521 178.101 177.584 -0.007 0.000 1.186 281 A CA 1.856 53.877 52.037 -0.028 0.000 0.620 281 A CB -1.829 17.187 19.000 0.027 0.000 0.822 281 A HN 0.515 nan 8.150 nan 0.000 0.443 282 P HA -0.162 nan 4.420 nan 0.000 0.215 282 P C 1.682 179.007 177.300 0.042 0.000 1.153 282 P CA 1.003 64.108 63.100 0.008 0.000 0.853 282 P CB -0.085 31.573 31.700 -0.071 0.000 0.788 283 L N -1.513 119.671 121.223 -0.065 0.000 1.989 283 L HA -0.144 4.196 4.340 0.000 0.000 0.211 283 L C 2.007 179.087 176.870 0.349 0.000 1.071 283 L CA 2.125 56.995 54.840 0.051 0.000 0.749 283 L CB -1.388 40.567 42.059 -0.174 0.000 0.890 283 L HN -0.144 nan 8.230 nan 0.000 0.431 284 F N -0.105 119.965 119.950 0.199 0.000 2.456 284 F HA 0.152 4.679 4.527 0.000 0.000 0.298 284 F C 2.500 178.343 175.800 0.072 0.000 1.104 284 F CA 0.329 58.407 58.000 0.130 0.000 1.435 284 F CB -1.704 37.342 39.000 0.075 0.000 1.078 284 F HN 0.209 nan 8.300 nan 0.000 0.546 285 A N 0.282 123.252 122.820 0.250 0.000 1.902 285 A HA -0.047 4.273 4.320 0.000 0.000 0.217 285 A C 2.513 180.193 177.584 0.160 0.000 1.181 285 A CA 1.800 53.936 52.037 0.166 0.000 0.623 285 A CB -1.125 17.965 19.000 0.150 0.000 0.818 285 A HN 0.262 nan 8.150 nan 0.000 0.443 286 A N -0.456 122.507 122.820 0.239 0.000 1.902 286 A HA -0.028 4.292 4.320 0.000 0.000 0.217 286 A C 2.123 179.799 177.584 0.153 0.000 1.181 286 A CA 1.716 53.910 52.037 0.261 0.000 0.623 286 A CB -0.652 18.582 19.000 0.390 0.000 0.818 286 A HN 0.724 nan 8.150 nan 0.000 0.443 287 L N 0.090 121.343 121.223 0.050 0.000 2.042 287 L HA -0.130 4.210 4.340 0.000 0.000 0.210 287 L C 2.349 179.105 176.870 -0.190 0.000 1.076 287 L CA 2.052 56.665 54.840 -0.378 0.000 0.749 287 L CB -0.574 41.089 42.059 -0.660 0.000 0.893 287 L HN 0.155 nan 8.230 nan 0.000 0.432 288 V N -0.033 119.839 119.914 -0.071 0.000 2.358 288 V HA -0.230 3.890 4.120 0.000 0.000 0.246 288 V C 2.784 178.851 176.094 -0.045 0.000 1.047 288 V CA 1.484 63.748 62.300 -0.060 0.000 1.035 288 V CB -1.327 30.485 31.823 -0.020 0.000 0.658 288 V HN 0.605 nan 8.190 nan 0.000 0.452 289 A N -0.040 122.771 122.820 -0.016 0.000 1.972 289 A HA -0.193 4.127 4.320 0.000 0.000 0.219 289 A C 2.378 179.947 177.584 -0.026 0.000 1.169 289 A CA 1.517 53.539 52.037 -0.026 0.000 0.635 289 A CB -0.430 18.554 19.000 -0.027 0.000 0.810 289 A HN 0.518 nan 8.150 nan 0.000 0.446 290 R N -0.541 119.946 120.500 -0.022 0.000 2.066 290 R HA -0.028 4.312 4.340 0.000 0.000 0.232 290 R C 1.967 178.238 176.300 -0.047 0.000 1.131 290 R CA 1.569 57.656 56.100 -0.022 0.000 0.955 290 R CB -0.502 29.787 30.300 -0.018 0.000 0.851 290 R HN 0.550 nan 8.270 nan 0.000 0.432 291 I N 1.458 121.981 120.570 -0.078 0.000 2.226 291 I HA -0.288 3.882 4.170 0.000 0.000 0.245 291 I C 1.711 177.794 176.117 -0.058 0.000 1.100 291 I CA 1.117 62.370 61.300 -0.079 0.000 1.374 291 I CB -0.372 37.565 38.000 -0.105 0.000 1.057 291 I HN 0.167 nan 8.210 nan 0.000 0.413 292 N N 0.574 119.243 118.700 -0.051 0.000 2.120 292 N HA -0.246 4.494 4.740 0.000 0.000 0.188 292 N C 1.762 177.251 175.510 -0.035 0.000 1.024 292 N CA 1.125 54.150 53.050 -0.042 0.000 0.852 292 N CB -0.450 38.014 38.487 -0.039 0.000 1.003 292 N HN 0.458 nan 8.380 nan 0.000 0.424 293 Q N 0.810 120.591 119.800 -0.033 0.000 2.061 293 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 293 Q C 1.836 177.822 176.000 -0.023 0.000 0.984 293 Q CA 1.830 57.618 55.803 -0.025 0.000 0.846 293 Q CB 0.009 28.736 28.738 -0.018 0.000 0.902 293 Q HN 0.102 nan 8.270 nan 0.000 0.421 294 K N 0.337 120.721 120.400 -0.027 0.000 2.057 294 K HA -0.066 4.254 4.320 0.000 0.000 0.206 294 K C 1.930 178.513 176.600 -0.028 0.000 1.050 294 K CA 1.145 57.416 56.287 -0.026 0.000 0.935 294 K CB -0.258 32.224 32.500 -0.030 0.000 0.715 294 K HN 0.292 nan 8.250 nan 0.000 0.439 295 L N -0.783 120.420 121.223 -0.033 0.000 2.291 295 L HA 0.072 4.412 4.340 0.000 0.000 0.214 295 L C 1.376 178.230 176.870 -0.025 0.000 1.120 295 L CA 0.830 55.651 54.840 -0.031 0.000 0.799 295 L CB -0.480 41.556 42.059 -0.037 0.000 0.925 295 L HN 0.642 nan 8.230 nan 0.000 0.446 296 G N 0.714 109.499 108.800 -0.024 0.000 2.162 296 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 296 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 296 G C 0.205 175.093 174.900 -0.020 0.000 0.976 296 G CA 0.650 45.738 45.100 -0.020 0.000 0.655 296 G HN 0.401 nan 8.290 nan 0.000 0.533 297 K N -0.537 119.849 120.400 -0.023 0.000 2.578 297 K HA 0.653 4.973 4.320 0.000 0.000 0.269 297 K C -0.228 176.357 176.600 -0.025 0.000 0.941 297 K CA -0.103 56.171 56.287 -0.022 0.000 0.847 297 K CB 1.037 33.526 32.500 -0.018 0.000 1.397 297 K HN 1.157 nan 8.250 nan 0.000 0.422 298 A N 2.661 125.467 122.820 -0.023 0.000 2.520 298 A HA 0.223 4.543 4.320 0.000 0.000 0.245 298 A C 1.368 178.937 177.584 -0.024 0.000 1.072 298 A CA 0.212 52.234 52.037 -0.025 0.000 0.761 298 A CB 0.015 19.002 19.000 -0.022 0.000 1.004 298 A HN 0.829 nan 8.150 nan 0.000 0.499 299 V N 2.254 122.149 119.914 -0.031 0.000 2.759 299 V HA 0.257 4.377 4.120 0.000 0.000 0.256 299 V C 1.672 177.755 176.094 -0.019 0.000 1.080 299 V CA 1.183 63.462 62.300 -0.035 0.000 1.101 299 V CB -2.269 29.523 31.823 -0.052 0.000 0.698 299 V HN 2.345 nan 8.190 nan 0.000 0.477 300 G N -0.036 108.761 108.800 -0.006 0.000 2.596 300 G HA2 -0.401 3.559 3.960 0.000 0.000 0.295 300 G HA3 -0.401 3.559 3.960 0.000 0.000 0.295 300 G C -0.165 174.778 174.900 0.071 0.000 1.240 300 G CA 0.687 45.801 45.100 0.024 0.000 0.985 300 G HN 1.012 nan 8.290 nan 0.000 0.555 301 Y N 1.803 122.061 120.300 -0.070 0.000 2.650 301 Y HA 0.475 5.025 4.550 0.000 0.000 0.342 301 Y C 1.532 177.360 175.900 -0.121 0.000 1.110 301 Y CA 0.020 58.065 58.100 -0.091 0.000 1.438 301 Y CB 0.180 38.595 38.460 -0.075 0.000 1.181 301 Y HN 0.429 nan 8.280 nan 0.000 0.526 302 L N 4.574 125.650 121.223 -0.246 0.000 2.513 302 L HA -0.041 4.299 4.340 0.000 0.000 0.222 302 L C 1.441 178.001 176.870 -0.517 0.000 1.096 302 L CA 0.124 54.772 54.840 -0.320 0.000 0.857 302 L CB -0.022 41.935 42.059 -0.169 0.000 1.026 302 L HN 0.539 nan 8.230 nan 0.000 0.469 303 N N 0.714 118.905 118.700 -0.848 0.000 2.043 303 N HA -0.152 4.588 4.740 0.000 0.000 0.193 303 N C -0.953 173.964 175.510 -0.988 0.000 1.037 303 N CA 1.506 53.994 53.050 -0.936 0.000 0.851 303 N CB -1.566 36.051 38.487 -1.449 0.000 1.027 303 N HN 0.165 nan 8.380 nan 0.000 0.422 304 P HA -0.025 nan 4.420 nan 0.000 0.217 304 P C 1.208 178.367 177.300 -0.235 0.000 1.150 304 P CA 1.401 64.085 63.100 -0.693 0.000 0.832 304 P CB -0.060 31.327 31.700 -0.522 0.000 0.787 305 T N -0.241 114.153 114.554 -0.267 0.000 2.737 305 T HA -0.073 4.277 4.350 0.000 0.000 0.265 305 T C 1.730 176.412 174.700 -0.030 0.000 1.038 305 T CA 1.013 63.042 62.100 -0.118 0.000 1.144 305 T CB -0.954 67.832 68.868 -0.137 0.000 0.866 305 T HN 0.044 nan 8.240 nan 0.000 0.434 306 L N -0.347 120.852 121.223 -0.040 0.000 2.081 306 L HA -0.154 4.186 4.340 0.000 0.000 0.212 306 L C 2.126 179.032 176.870 0.060 0.000 1.080 306 L CA 1.563 56.434 54.840 0.051 0.000 0.754 306 L CB -0.582 41.457 42.059 -0.033 0.000 0.893 306 L HN 0.321 nan 8.230 nan 0.000 0.433 307 Y N 0.055 120.355 120.300 0.001 0.000 2.578 307 Y HA -0.136 4.414 4.550 -0.000 0.000 0.297 307 Y C 2.196 178.138 175.900 0.069 0.000 1.176 307 Y CA 0.570 58.699 58.100 0.048 0.000 1.315 307 Y CB -0.128 38.408 38.460 0.127 0.000 1.031 307 Y HN 0.415 nan 8.280 nan 0.000 0.524 308 Q N -1.278 118.624 119.800 0.170 0.000 2.189 308 Q HA 0.259 4.599 4.340 0.000 0.000 0.223 308 Q C -0.053 175.992 176.000 0.075 0.000 0.828 308 Q CA -0.011 55.857 55.803 0.109 0.000 0.967 308 Q CB 0.093 28.881 28.738 0.083 0.000 1.139 308 Q HN 0.252 nan 8.270 nan 0.000 0.497 309 L N 2.200 123.483 121.223 0.100 0.000 2.476 309 L HA 0.291 4.631 4.340 0.000 0.000 0.264 309 L C -1.854 175.065 176.870 0.081 0.000 1.224 309 L CA -2.099 52.781 54.840 0.067 0.000 0.821 309 L CB -0.104 41.985 42.059 0.051 0.000 1.101 309 L HN 0.016 nan 8.230 nan 0.000 0.488 310 P HA -0.007 nan 4.420 nan 0.000 0.265 310 P C 0.001 177.333 177.300 0.055 0.000 1.193 310 P CA 0.013 63.121 63.100 0.015 0.000 0.765 310 P CB 0.791 32.474 31.700 -0.030 0.000 0.823 311 A N 3.708 126.585 122.820 0.094 0.000 2.024 311 A HA -0.210 4.110 4.320 0.000 0.000 0.220 311 A C 1.555 179.206 177.584 0.111 0.000 1.164 311 A CA 1.915 54.054 52.037 0.171 0.000 0.643 311 A CB -1.108 17.956 19.000 0.106 0.000 0.806 311 A HN 0.647 nan 8.150 nan 0.000 0.451 312 D N -0.365 120.040 120.400 0.008 0.000 2.371 312 D HA -0.002 4.638 4.640 0.000 0.000 0.234 312 D C 1.101 177.320 176.300 -0.135 0.000 1.049 312 D CA 0.720 54.700 54.000 -0.035 0.000 0.907 312 D CB -0.624 40.157 40.800 -0.031 0.000 0.891 312 D HN 0.204 nan 8.370 nan 0.000 0.531 313 V N -0.609 119.124 119.914 -0.302 0.000 3.141 313 V HA 0.020 4.140 4.120 0.000 0.000 0.265 313 V C 0.181 175.787 176.094 -0.812 0.000 1.126 313 V CA 0.728 62.662 62.300 -0.609 0.000 1.141 313 V CB -0.815 30.488 31.823 -0.868 0.000 0.743 313 V HN 0.050 nan 8.190 nan 0.000 0.492 314 F N -1.099 118.811 119.950 -0.067 0.000 2.495 314 F HA 0.456 4.983 4.527 -0.000 0.000 0.327 314 F C 0.318 176.108 175.800 -0.018 0.000 1.103 314 F CA -1.212 56.747 58.000 -0.069 0.000 0.949 314 F CB 0.768 39.708 39.000 -0.100 0.000 1.142 314 F HN -0.101 nan 8.300 nan 0.000 0.457 315 H N 3.285 122.415 119.070 0.101 0.000 2.911 315 H HA 0.079 4.635 4.556 0.000 0.000 0.273 315 H C -0.795 174.575 175.328 0.069 0.000 1.157 315 H CA -0.406 55.685 56.048 0.070 0.000 1.402 315 H CB 0.400 30.201 29.762 0.066 0.000 1.463 315 H HN 0.589 nan 8.280 nan 0.000 0.475 316 D N 4.731 125.011 120.400 -0.200 0.000 2.425 316 D HA 0.041 4.681 4.640 0.000 0.000 0.247 316 D C -0.261 175.962 176.300 -0.128 0.000 1.147 316 D CA -0.157 53.765 54.000 -0.129 0.000 0.879 316 D CB 0.440 41.172 40.800 -0.112 0.000 1.179 316 D HN 0.425 nan 8.370 nan 0.000 0.456 317 I N 2.693 123.243 120.570 -0.032 0.000 2.331 317 I HA 0.171 4.341 4.170 0.000 0.000 0.292 317 I C 1.505 177.609 176.117 -0.022 0.000 0.998 317 I CA -0.034 61.274 61.300 0.014 0.000 1.267 317 I CB 1.763 39.794 38.000 0.052 0.000 1.386 317 I HN 0.489 nan 8.210 nan 0.000 0.476 318 T N 0.549 115.099 114.554 -0.007 0.000 2.975 318 T HA 0.224 4.574 4.350 0.000 0.000 0.261 318 T C 0.304 175.006 174.700 0.004 0.000 0.984 318 T CA -0.287 61.806 62.100 -0.011 0.000 0.911 318 T CB -0.033 68.828 68.868 -0.013 0.000 1.127 318 T HN 0.580 nan 8.240 nan 0.000 0.514 319 E N 0.694 120.907 120.200 0.022 0.000 2.212 319 E HA 0.580 4.930 4.350 0.000 0.000 0.268 319 E C 0.029 176.648 176.600 0.032 0.000 0.902 319 E CA -0.589 55.827 56.400 0.026 0.000 0.779 319 E CB 1.481 31.201 29.700 0.034 0.000 1.172 319 E HN 0.475 nan 8.360 nan 0.000 0.409 320 G N 2.326 111.140 108.800 0.024 0.000 2.479 320 G HA2 0.018 3.978 3.960 0.000 0.000 0.686 320 G HA3 0.018 3.978 3.960 0.000 0.000 0.686 320 G C -1.334 173.574 174.900 0.013 0.000 1.295 320 G CA -0.424 44.691 45.100 0.025 0.000 0.922 320 G HN 1.082 nan 8.290 nan 0.000 0.582 321 N N -1.487 117.218 118.700 0.009 0.000 2.610 321 N HA 0.629 5.369 4.740 0.000 0.000 0.264 321 N C -0.094 175.413 175.510 -0.005 0.000 1.348 321 N CA -0.300 52.751 53.050 0.002 0.000 0.819 321 N CB 1.328 39.810 38.487 -0.008 0.000 1.521 321 N HN 0.820 nan 8.380 nan 0.000 0.497 322 N N -0.794 117.910 118.700 0.006 0.000 2.401 322 N HA 0.119 4.859 4.740 0.000 0.000 0.264 322 N C -1.243 174.266 175.510 -0.001 0.000 1.238 322 N CA -0.267 52.775 53.050 -0.013 0.000 0.889 322 N CB 0.010 38.504 38.487 0.012 0.000 1.196 322 N HN 0.630 nan 8.380 nan 0.000 0.511 323 D N 1.293 121.691 120.400 -0.003 0.000 2.359 323 D HA 0.167 4.807 4.640 0.000 0.000 0.230 323 D C 1.110 177.412 176.300 0.003 0.000 1.118 323 D CA -0.575 53.439 54.000 0.024 0.000 0.844 323 D CB 0.919 41.725 40.800 0.010 0.000 1.059 323 D HN 0.426 nan 8.370 nan 0.000 0.493 324 I N 0.761 121.336 120.570 0.009 0.000 4.082 324 I HA 0.388 4.558 4.170 0.000 0.000 0.337 324 I C 1.150 177.269 176.117 0.004 0.000 1.352 324 I CA -0.413 60.877 61.300 -0.017 0.000 1.097 324 I CB 0.736 38.705 38.000 -0.052 0.000 1.048 324 I HN 0.222 nan 8.210 nan 0.000 0.393 325 A N 1.728 124.566 122.820 0.029 0.000 2.014 325 A HA 0.287 4.607 4.320 0.000 0.000 0.210 325 A C 0.690 178.282 177.584 0.014 0.000 1.188 325 A CA 1.053 53.101 52.037 0.018 0.000 0.731 325 A CB -0.280 18.727 19.000 0.010 0.000 0.858 325 A HN 0.703 nan 8.150 nan 0.000 0.464 326 N N -2.710 116.007 118.700 0.029 0.000 3.364 326 N HA 0.309 5.049 4.740 0.000 0.000 0.294 326 N C -0.595 174.927 175.510 0.019 0.000 1.562 326 N CA -0.801 52.262 53.050 0.021 0.000 0.862 326 N CB 0.286 38.788 38.487 0.025 0.000 1.691 326 N HN -0.074 nan 8.380 nan 0.000 0.572 327 R N -0.831 119.677 120.500 0.012 0.000 2.515 327 R HA 0.433 4.773 4.340 0.000 0.000 0.294 327 R C 0.246 176.546 176.300 -0.001 0.000 1.021 327 R CA 0.187 56.289 56.100 0.004 0.000 1.081 327 R CB 0.215 30.516 30.300 0.002 0.000 1.263 327 R HN 0.637 nan 8.270 nan 0.000 0.557 328 A N 0.613 123.435 122.820 0.003 0.000 2.238 328 A HA -0.056 4.264 4.320 0.000 0.000 0.208 328 A C 0.667 178.218 177.584 -0.054 0.000 1.177 328 A CA 0.137 52.165 52.037 -0.015 0.000 0.804 328 A CB 0.027 19.030 19.000 0.005 0.000 0.823 328 A HN 0.459 nan 8.150 nan 0.000 0.482 329 Q N -1.113 118.659 119.800 -0.047 0.000 2.457 329 Q HA -0.171 4.169 4.340 0.000 0.000 0.283 329 Q C -0.788 175.127 176.000 -0.141 0.000 1.234 329 Q CA 0.653 56.417 55.803 -0.064 0.000 0.877 329 Q CB -1.506 27.207 28.738 -0.042 0.000 1.250 329 Q HN 0.732 nan 8.270 nan 0.000 0.481 330 I N 1.444 121.862 120.570 -0.253 0.000 2.297 330 I HA 0.250 4.420 4.170 0.000 0.000 0.291 330 I C 0.057 175.893 176.117 -0.468 0.000 1.033 330 I CA -0.420 60.502 61.300 -0.630 0.000 1.253 330 I CB 0.307 37.625 38.000 -1.137 0.000 1.396 330 I HN 0.009 nan 8.210 nan 0.000 0.476 331 Y N 4.457 124.652 120.300 -0.174 0.000 2.534 331 Y HA 0.450 5.000 4.550 0.000 0.000 0.329 331 Y C 0.309 176.149 175.900 -0.100 0.000 1.154 331 Y CA -0.646 57.365 58.100 -0.149 0.000 1.192 331 Y CB 1.057 39.438 38.460 -0.132 0.000 1.275 331 Y HN 0.446 nan 8.280 nan 0.000 0.491 332 Q N 0.847 120.691 119.800 0.073 0.000 2.309 332 Q HA 0.705 5.045 4.340 0.000 0.000 0.264 332 Q C -0.800 175.197 176.000 -0.004 0.000 1.008 332 Q CA -1.049 54.764 55.803 0.017 0.000 0.853 332 Q CB 2.106 30.846 28.738 0.003 0.000 1.314 332 Q HN 0.861 nan 8.270 nan 0.000 0.448 333 A N 1.195 124.003 122.820 -0.021 0.000 2.366 333 A HA 0.732 5.052 4.320 0.000 0.000 0.249 333 A C 0.163 177.728 177.584 -0.032 0.000 1.084 333 A CA 0.635 52.642 52.037 -0.049 0.000 0.794 333 A CB 0.481 19.462 19.000 -0.032 0.000 1.034 333 A HN 0.786 nan 8.150 nan 0.000 0.491 334 G N -0.539 108.237 108.800 -0.041 0.000 2.606 334 G HA2 0.606 4.566 3.960 0.000 0.000 0.300 334 G HA3 0.606 4.566 3.960 0.000 0.000 0.300 334 G C -3.435 171.456 174.900 -0.014 0.000 1.360 334 G CA -1.009 44.084 45.100 -0.012 0.000 0.783 334 G HN 0.495 nan 8.290 nan 0.000 0.484 335 P HA 0.396 nan 4.420 nan 0.000 0.265 335 P C 0.928 178.242 177.300 0.023 0.000 1.193 335 P CA 1.712 64.816 63.100 0.006 0.000 0.765 335 P CB 0.842 32.552 31.700 0.016 0.000 0.823 336 G N 2.136 110.944 108.800 0.013 0.000 2.598 336 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 336 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 336 G C -0.886 174.042 174.900 0.048 0.000 1.302 336 G CA -0.323 44.804 45.100 0.045 0.000 0.903 336 G HN 0.626 nan 8.290 nan 0.000 0.575 337 W N 2.574 123.841 121.300 -0.055 0.000 2.193 337 W HA 0.469 5.129 4.660 0.000 0.000 0.338 337 W C 0.550 177.057 176.519 -0.021 0.000 1.310 337 W CA 0.980 58.293 57.345 -0.054 0.000 1.243 337 W CB 0.353 29.818 29.460 0.008 0.000 1.165 337 W HN 0.962 nan 8.180 nan 0.000 0.566 338 D N 3.617 123.445 120.400 -0.954 0.000 2.583 338 D HA 0.378 5.018 4.640 0.000 0.000 0.248 338 D C -2.665 172.717 176.300 -1.530 0.000 1.209 338 D CA -1.881 51.593 54.000 -0.877 0.000 0.848 338 D CB 1.840 42.431 40.800 -0.348 0.000 1.431 338 D HN 0.047 nan 8.370 nan 0.000 0.436 339 P HA 0.266 nan 4.420 nan 0.000 0.249 339 P C -0.076 177.010 177.300 -0.357 0.000 1.544 339 P CA -0.030 62.672 63.100 -0.663 0.000 0.932 339 P CB -0.062 31.339 31.700 -0.498 0.000 1.524 340 C N -2.117 116.994 119.300 -0.315 0.000 2.478 340 C HA 0.127 4.587 4.460 0.000 0.000 0.397 340 C C 1.873 176.788 174.990 -0.125 0.000 1.360 340 C CA 1.155 60.090 59.018 -0.138 0.000 2.191 340 C CB -0.598 27.099 27.740 -0.071 0.000 2.654 340 C HN 0.298 nan 8.230 nan 0.000 0.548 341 T N -2.618 111.796 114.554 -0.233 0.000 3.144 341 T HA 0.477 4.827 4.350 0.000 0.000 0.290 341 T C 1.081 175.621 174.700 -0.267 0.000 0.966 341 T CA 1.089 63.095 62.100 -0.157 0.000 0.907 341 T CB 0.168 68.987 68.868 -0.081 0.000 1.152 341 T HN 0.855 nan 8.240 nan 0.000 0.532 342 G N 2.779 111.238 108.800 -0.569 0.000 2.611 342 G HA2 -0.325 3.635 3.960 0.000 0.000 0.301 342 G HA3 -0.325 3.635 3.960 0.000 0.000 0.301 342 G C 0.661 175.243 174.900 -0.530 0.000 1.233 342 G CA 0.377 45.045 45.100 -0.719 0.000 0.993 342 G HN 0.522 nan 8.290 nan 0.000 0.553 343 L N 2.343 123.371 121.223 -0.326 0.000 2.376 343 L HA 0.365 4.705 4.340 0.000 0.000 0.219 343 L C 2.083 178.748 176.870 -0.342 0.000 1.133 343 L CA 1.371 55.918 54.840 -0.489 0.000 0.816 343 L CB -1.011 40.344 42.059 -1.173 0.000 0.933 343 L HN 1.870 nan 8.230 nan 0.000 0.449 344 G N -0.429 108.246 108.800 -0.208 0.000 2.501 344 G HA2 -0.225 3.735 3.960 0.000 0.000 0.213 344 G HA3 -0.225 3.735 3.960 0.000 0.000 0.213 344 G C -0.301 174.601 174.900 0.003 0.000 1.158 344 G CA -0.183 44.885 45.100 -0.054 0.000 1.079 344 G HN 0.305 nan 8.290 nan 0.000 0.586 345 S N 2.193 117.921 115.700 0.046 0.000 2.554 345 S HA 0.755 5.225 4.470 0.000 0.000 0.278 345 S C -2.421 172.121 174.600 -0.096 0.000 1.242 345 S CA -0.612 57.511 58.200 -0.127 0.000 1.051 345 S CB 2.348 65.321 63.200 -0.378 0.000 0.986 345 S HN 0.751 nan 8.310 nan 0.000 0.502 346 P HA 0.356 nan 4.420 nan 0.000 0.279 346 P C -0.825 176.369 177.300 -0.176 0.000 1.239 346 P CA -0.543 62.421 63.100 -0.226 0.000 0.789 346 P CB 0.502 31.943 31.700 -0.431 0.000 0.933 347 I N 2.793 123.258 120.570 -0.176 0.000 2.281 347 I HA 0.134 4.304 4.170 0.000 0.000 0.293 347 I C 1.958 178.010 176.117 -0.108 0.000 1.085 347 I CA -0.176 61.082 61.300 -0.071 0.000 1.257 347 I CB 0.470 38.433 38.000 -0.061 0.000 1.430 347 I HN 0.477 nan 8.210 nan 0.000 0.489 348 G N 4.586 113.365 108.800 -0.034 0.000 2.529 348 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 348 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 348 G C 1.449 176.279 174.900 -0.116 0.000 1.177 348 G CA 1.188 46.214 45.100 -0.124 0.000 0.773 348 G HN 0.484 nan 8.290 nan 0.000 0.573 349 V N 0.424 120.309 119.914 -0.048 0.000 2.626 349 V HA -0.009 4.111 4.120 0.000 0.000 0.252 349 V C 2.837 178.881 176.094 -0.083 0.000 1.067 349 V CA 2.073 64.342 62.300 -0.051 0.000 1.081 349 V CB -0.340 31.475 31.823 -0.013 0.000 0.686 349 V HN 0.414 nan 8.190 nan 0.000 0.468 350 R N -0.798 119.638 120.500 -0.108 0.000 2.119 350 R HA -0.002 4.338 4.340 0.000 0.000 0.222 350 R C 2.099 178.285 176.300 -0.189 0.000 1.088 350 R CA 1.326 57.343 56.100 -0.139 0.000 0.984 350 R CB -0.411 29.797 30.300 -0.155 0.000 0.884 350 R HN 0.457 nan 8.270 nan 0.000 0.447 351 L N 1.225 122.306 121.223 -0.237 0.000 2.017 351 L HA -0.154 4.186 4.340 0.000 0.000 0.208 351 L C 2.030 178.795 176.870 -0.176 0.000 1.073 351 L CA 1.529 56.216 54.840 -0.255 0.000 0.745 351 L CB -0.674 41.213 42.059 -0.287 0.000 0.894 351 L HN 0.115 nan 8.230 nan 0.000 0.432 352 L N -0.294 120.838 121.223 -0.152 0.000 1.971 352 L HA -0.285 4.055 4.340 0.000 0.000 0.215 352 L C 2.516 179.330 176.870 -0.094 0.000 1.072 352 L CA 2.055 56.826 54.840 -0.114 0.000 0.758 352 L CB -0.910 41.091 42.059 -0.097 0.000 0.889 352 L HN 0.457 nan 8.230 nan 0.000 0.433 353 Q N -0.636 119.110 119.800 -0.090 0.000 2.096 353 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 353 Q C 2.224 178.178 176.000 -0.076 0.000 0.982 353 Q CA 1.901 57.660 55.803 -0.073 0.000 0.850 353 Q CB -0.461 28.237 28.738 -0.067 0.000 0.901 353 Q HN 0.718 nan 8.270 nan 0.000 0.422 354 A N 0.310 123.072 122.820 -0.097 0.000 2.015 354 A HA -0.102 4.218 4.320 0.000 0.000 0.219 354 A C 1.854 179.391 177.584 -0.078 0.000 1.163 354 A CA 0.979 52.962 52.037 -0.090 0.000 0.646 354 A CB -0.320 18.609 19.000 -0.118 0.000 0.806 354 A HN 0.309 nan 8.150 nan 0.000 0.448 355 L N -0.466 120.707 121.223 -0.083 0.000 2.529 355 L HA 0.192 4.532 4.340 0.000 0.000 0.223 355 L C 0.236 177.071 176.870 -0.058 0.000 1.113 355 L CA -0.337 54.459 54.840 -0.073 0.000 0.861 355 L CB -0.174 41.835 42.059 -0.083 0.000 1.012 355 L HN 0.260 nan 8.230 nan 0.000 0.461 356 L N 1.131 122.321 121.223 -0.055 0.000 2.456 356 L HA 0.450 4.790 4.340 0.000 0.000 0.272 356 L C -1.796 175.052 176.870 -0.037 0.000 1.189 356 L CA -0.193 54.621 54.840 -0.044 0.000 0.846 356 L CB -0.021 42.014 42.059 -0.041 0.000 1.111 356 L HN -0.045 nan 8.230 nan 0.000 0.475 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 nan 63.100 nan 0.000 0.800 357 P CB 0.000 nan 31.700 nan 0.000 0.726