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 1k6e_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLGAKPFGEK KFIEIKGRRM AYIDEGTGDP ILFQHGNPTS SYLWRNIMPH DATA SEQUENCE CAGLGRLIAC DLIGMGDSDK LDPSGPERYA YAEHRDYLDA LWEALDLGDR DATA SEQUENCE VVLVVHDWGS ALGFDWARRH RERVQGIAYM EAIAMPIEWA DFPEQDRDLF DATA SEQUENCE QAFRSQAGEE LVLQDNVFVE QVLPGLILRP LSEAEMAAYR EPFLAAGEAR DATA SEQUENCE RPTLSWPRQI PIAGTPADVV AIARDYAGWL SESPIPKLFI NAEPGALTTG DATA SEQUENCE RMRDFCRTWP NQTEITVAGA HFIQEDSPDE IGAAIAAFVR RLRPA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.229 58.200 0.048 0.000 1.107 2 S CB 0.000 nan 63.200 nan 0.000 0.593 3 L N 0.462 121.697 121.223 0.020 0.000 2.490 3 L HA 0.829 5.171 4.340 0.004 0.000 0.245 3 L C 0.934 177.807 176.870 0.004 0.000 1.185 3 L CA 0.205 55.050 54.840 0.008 0.000 0.813 3 L CB 1.298 43.364 42.059 0.012 0.000 1.233 3 L HN 1.453 nan 8.230 nan 0.000 0.489 4 G N -1.317 107.482 108.800 -0.002 0.000 2.329 4 G HA2 0.312 4.275 3.960 0.004 0.000 0.308 4 G HA3 0.312 4.275 3.960 0.004 0.000 0.308 4 G C -0.500 174.398 174.900 -0.004 0.000 1.587 4 G CA -0.130 44.971 45.100 0.003 0.000 0.978 4 G HN 0.722 nan 8.290 nan 0.000 0.685 5 A N 0.227 123.067 122.820 0.033 0.000 2.220 5 A HA 0.457 4.779 4.320 0.004 0.000 0.211 5 A C 1.211 178.873 177.584 0.130 0.000 1.176 5 A CA 1.310 53.405 52.037 0.097 0.000 0.834 5 A CB -0.071 18.996 19.000 0.111 0.000 0.868 5 A HN 0.779 nan 8.150 nan 0.000 0.488 6 K N 1.965 122.403 120.400 0.063 0.000 2.401 6 K HA 0.208 4.530 4.320 0.004 0.000 0.278 6 K C -2.418 174.224 176.600 0.072 0.000 1.018 6 K CA -1.506 54.826 56.287 0.074 0.000 0.981 6 K CB 0.572 33.094 32.500 0.037 0.000 0.933 6 K HN 0.113 nan 8.250 nan 0.000 0.477 7 P HA -0.041 nan 4.420 nan 0.000 0.274 7 P C 0.064 177.426 177.300 0.103 0.000 1.246 7 P CA -0.237 62.940 63.100 0.128 0.000 0.795 7 P CB 0.395 32.203 31.700 0.180 0.000 1.006 8 F N 0.768 120.685 119.950 -0.054 0.000 2.325 8 F HA 0.183 4.711 4.527 0.001 0.000 0.299 8 F C 1.009 176.781 175.800 -0.047 0.000 1.090 8 F CA 1.655 59.618 58.000 -0.062 0.000 1.392 8 F CB -0.222 38.727 39.000 -0.085 0.000 1.053 8 F HN 0.511 nan 8.300 nan 0.000 0.521 9 G N -0.615 108.114 108.800 -0.118 0.000 2.548 9 G HA2 0.319 4.282 3.960 0.004 0.000 0.301 9 G HA3 0.319 4.282 3.960 0.004 0.000 0.301 9 G C -1.573 173.262 174.900 -0.108 0.000 1.349 9 G CA -0.890 44.075 45.100 -0.225 0.000 0.792 9 G HN 0.028 nan 8.290 nan 0.000 0.481 10 E N 0.556 120.679 120.200 -0.128 0.000 2.277 10 E HA 0.321 4.673 4.350 0.004 0.000 0.274 10 E C -0.288 176.204 176.600 -0.181 0.000 1.022 10 E CA -0.729 55.605 56.400 -0.109 0.000 0.853 10 E CB 1.212 30.860 29.700 -0.086 0.000 1.086 10 E HN 0.137 nan 8.360 nan 0.000 0.397 11 K N 2.434 122.700 120.400 -0.223 0.000 2.270 11 K HA 0.231 4.553 4.320 0.004 0.000 0.276 11 K C -0.158 176.000 176.600 -0.736 0.000 1.023 11 K CA 0.115 56.119 56.287 -0.471 0.000 0.955 11 K CB 0.749 32.950 32.500 -0.499 0.000 0.975 11 K HN 0.353 nan 8.250 nan 0.000 0.471 12 K N 1.303 121.096 120.400 -1.011 0.000 2.258 12 K HA 0.562 4.884 4.320 0.004 0.000 0.236 12 K C -0.657 175.218 176.600 -1.208 0.000 1.008 12 K CA -0.691 55.036 56.287 -0.933 0.000 0.869 12 K CB 0.931 32.889 32.500 -0.902 0.000 1.171 12 K HN 0.260 nan 8.250 nan 0.000 0.447 13 F N 0.757 120.649 119.950 -0.096 0.000 2.576 13 F HA 0.553 5.083 4.527 0.005 0.000 0.313 13 F C -0.259 175.689 175.800 0.247 0.000 1.078 13 F CA -0.833 57.234 58.000 0.113 0.000 0.921 13 F CB 1.338 40.377 39.000 0.064 0.000 1.232 13 F HN 0.124 nan 8.300 nan 0.000 0.459 14 I N 1.740 122.585 120.570 0.459 0.000 2.619 14 I HA 0.265 4.437 4.170 0.004 0.000 0.292 14 I C -0.846 175.415 176.117 0.241 0.000 1.100 14 I CA -0.942 60.547 61.300 0.315 0.000 1.043 14 I CB 2.191 40.340 38.000 0.249 0.000 1.239 14 I HN 0.475 nan 8.210 nan 0.000 0.420 15 E N 6.407 126.712 120.200 0.174 0.000 2.223 15 E HA 0.355 4.708 4.350 0.004 0.000 0.282 15 E C -0.764 175.908 176.600 0.119 0.000 1.046 15 E CA -0.210 56.273 56.400 0.139 0.000 0.857 15 E CB 1.613 31.373 29.700 0.100 0.000 1.055 15 E HN 0.258 nan 8.360 nan 0.000 0.409 16 I N 2.806 123.460 120.570 0.139 0.000 2.439 16 I HA 0.094 4.266 4.170 0.004 0.000 0.283 16 I C 0.565 176.741 176.117 0.099 0.000 1.023 16 I CA -0.541 60.824 61.300 0.109 0.000 1.100 16 I CB 1.111 39.208 38.000 0.162 0.000 1.238 16 I HN 0.566 nan 8.210 nan 0.000 0.445 17 K N 4.194 124.595 120.400 0.001 0.000 3.020 17 K HA -0.254 4.068 4.320 0.004 0.000 0.266 17 K C 0.981 177.615 176.600 0.056 0.000 1.067 17 K CA 0.818 57.083 56.287 -0.036 0.000 0.780 17 K CB -1.210 31.140 32.500 -0.249 0.000 1.220 17 K HN 1.182 nan 8.250 nan 0.000 0.483 18 G N -0.734 108.112 108.800 0.076 0.000 2.195 18 G HA2 -0.245 3.717 3.960 0.004 0.000 0.224 18 G HA3 -0.245 3.717 3.960 0.004 0.000 0.224 18 G C -0.212 174.745 174.900 0.096 0.000 0.990 18 G CA 0.055 45.199 45.100 0.074 0.000 0.639 18 G HN 0.118 nan 8.290 nan 0.000 0.514 19 R N 0.113 120.705 120.500 0.153 0.000 2.711 19 R HA 0.620 4.963 4.340 0.004 0.000 0.284 19 R C -0.051 176.339 176.300 0.151 0.000 0.968 19 R CA -1.005 55.176 56.100 0.136 0.000 0.924 19 R CB 1.281 31.664 30.300 0.139 0.000 1.162 19 R HN 0.279 nan 8.270 nan 0.000 0.465 20 R N 2.034 122.611 120.500 0.128 0.000 2.265 20 R HA 0.360 4.702 4.340 0.004 0.000 0.314 20 R C -0.292 176.157 176.300 0.249 0.000 1.053 20 R CA -0.071 56.139 56.100 0.184 0.000 0.931 20 R CB 0.730 31.101 30.300 0.119 0.000 1.024 20 R HN 0.459 nan 8.270 nan 0.000 0.457 21 M N 2.748 122.529 119.600 0.302 0.000 2.364 21 M HA 0.416 4.898 4.480 0.004 0.000 0.334 21 M C -0.419 176.100 176.300 0.365 0.000 1.107 21 M CA -0.736 54.744 55.300 0.301 0.000 0.988 21 M CB 2.205 34.960 32.600 0.258 0.000 1.673 21 M HN 0.614 nan 8.290 nan 0.000 0.441 22 A N 2.939 125.929 122.820 0.283 0.000 2.312 22 A HA 0.886 5.209 4.320 0.004 0.000 0.328 22 A C -1.423 176.278 177.584 0.195 0.000 1.158 22 A CA -0.387 51.678 52.037 0.047 0.000 0.821 22 A CB 0.679 19.659 19.000 -0.033 0.000 1.170 22 A HN 0.832 nan 8.150 nan 0.000 0.490 23 Y N -1.208 119.014 120.300 -0.130 0.000 2.641 23 Y HA 0.698 5.250 4.550 0.003 0.000 0.333 23 Y C -1.281 174.594 175.900 -0.043 0.000 1.174 23 Y CA -1.516 56.582 58.100 -0.003 0.000 1.057 23 Y CB 0.530 39.027 38.460 0.062 0.000 1.322 23 Y HN 0.533 nan 8.280 nan 0.000 0.457 24 I N 2.309 122.952 120.570 0.120 0.000 2.428 24 I HA 0.416 4.588 4.170 0.004 0.000 0.296 24 I C -1.060 175.172 176.117 0.191 0.000 0.985 24 I CA -0.197 61.132 61.300 0.048 0.000 1.260 24 I CB 1.595 39.689 38.000 0.156 0.000 1.389 24 I HN 0.714 nan 8.210 nan 0.000 0.484 25 D N 5.484 125.943 120.400 0.099 0.000 2.470 25 D HA 0.282 4.925 4.640 0.004 0.000 0.233 25 D C -1.236 175.114 176.300 0.084 0.000 1.372 25 D CA -0.338 53.770 54.000 0.179 0.000 0.994 25 D CB 1.100 42.085 40.800 0.310 0.000 1.377 25 D HN 0.285 nan 8.370 nan 0.000 0.586 26 E N 1.751 122.020 120.200 0.114 0.000 2.317 26 E HA 0.673 5.026 4.350 0.004 0.000 0.270 26 E C 0.612 177.264 176.600 0.087 0.000 0.885 26 E CA -0.610 55.822 56.400 0.053 0.000 0.760 26 E CB 1.840 31.532 29.700 -0.014 0.000 1.227 26 E HN 0.772 nan 8.360 nan 0.000 0.434 27 G N 1.020 109.847 108.800 0.045 0.000 2.698 27 G HA2 -0.154 3.808 3.960 0.004 0.000 0.225 27 G HA3 -0.154 3.808 3.960 0.004 0.000 0.225 27 G C -0.431 174.495 174.900 0.044 0.000 1.345 27 G CA -0.137 44.994 45.100 0.051 0.000 0.871 27 G HN 0.680 nan 8.290 nan 0.000 0.540 28 T N -1.184 113.393 114.554 0.038 0.000 2.883 28 T HA 0.940 5.292 4.350 0.004 0.000 0.296 28 T C 0.491 175.204 174.700 0.023 0.000 1.117 28 T CA 1.566 63.682 62.100 0.028 0.000 1.006 28 T CB 1.218 70.098 68.868 0.020 0.000 1.191 28 T HN 2.950 nan 8.240 nan 0.000 0.508 29 G N 2.134 110.943 108.800 0.014 0.000 2.362 29 G HA2 0.063 4.025 3.960 0.004 0.000 0.517 29 G HA3 0.063 4.025 3.960 0.004 0.000 0.517 29 G C -1.543 173.354 174.900 -0.004 0.000 1.256 29 G CA -0.543 44.560 45.100 0.005 0.000 1.027 29 G HN 0.805 nan 8.290 nan 0.000 0.491 30 D N 1.854 122.246 120.400 -0.014 0.000 2.399 30 D HA 0.462 5.104 4.640 0.004 0.000 0.241 30 D C -1.942 174.333 176.300 -0.042 0.000 1.133 30 D CA -0.215 53.767 54.000 -0.029 0.000 0.890 30 D CB 0.764 41.544 40.800 -0.034 0.000 1.201 30 D HN 0.208 nan 8.370 nan 0.000 0.432 31 P HA 0.248 nan 4.420 nan 0.000 0.275 31 P C -0.415 176.802 177.300 -0.137 0.000 1.228 31 P CA -0.072 62.967 63.100 -0.102 0.000 0.786 31 P CB 0.656 32.256 31.700 -0.166 0.000 0.927 32 I N 2.886 123.378 120.570 -0.130 0.000 2.448 32 I HA 0.233 4.406 4.170 0.004 0.000 0.281 32 I C -0.683 175.246 176.117 -0.313 0.000 1.027 32 I CA -0.810 60.345 61.300 -0.242 0.000 1.111 32 I CB 1.470 39.384 38.000 -0.145 0.000 1.236 32 I HN 0.107 nan 8.210 nan 0.000 0.452 33 L N 7.818 128.752 121.223 -0.482 0.000 2.264 33 L HA 0.508 4.851 4.340 0.004 0.000 0.287 33 L C -1.042 175.489 176.870 -0.565 0.000 1.039 33 L CA -0.003 54.561 54.840 -0.460 0.000 0.829 33 L CB 0.314 41.977 42.059 -0.661 0.000 1.211 33 L HN 0.197 nan 8.230 nan 0.000 0.427 34 F N 3.569 123.261 119.950 -0.429 0.000 2.405 34 F HA 0.551 5.079 4.527 0.001 0.000 0.355 34 F C 0.337 175.930 175.800 -0.345 0.000 1.121 34 F CA -0.454 57.071 58.000 -0.792 0.000 1.112 34 F CB 1.199 39.380 39.000 -1.364 0.000 1.126 34 F HN 0.398 nan 8.300 nan 0.000 0.481 35 Q N 4.217 124.069 119.800 0.086 0.000 2.327 35 Q HA 0.190 4.532 4.340 0.004 0.000 0.270 35 Q C -0.337 176.092 176.000 0.715 0.000 1.022 35 Q CA -0.666 55.396 55.803 0.431 0.000 0.773 35 Q CB 0.623 29.556 28.738 0.325 0.000 1.251 35 Q HN 0.679 nan 8.270 nan 0.000 0.457 36 H N 1.350 120.903 119.070 0.805 0.000 2.597 36 H HA 0.702 5.260 4.556 0.003 0.000 0.370 36 H C -0.334 175.205 175.328 0.350 0.000 1.281 36 H CA 0.029 56.418 56.048 0.569 0.000 1.422 36 H CB 0.815 30.830 29.762 0.423 0.000 1.524 36 H HN 0.637 nan 8.280 nan 0.000 0.607 37 G N 0.181 109.177 108.800 0.327 0.000 3.302 37 G HA2 0.106 4.069 3.960 0.004 0.000 0.170 37 G HA3 0.106 4.069 3.960 0.004 0.000 0.170 37 G C -0.658 174.397 174.900 0.258 0.000 1.119 37 G CA -0.746 44.401 45.100 0.079 0.000 0.826 37 G HN 0.683 nan 8.290 nan 0.000 0.646 38 N N 1.230 119.996 118.700 0.110 0.000 2.456 38 N HA 0.501 5.243 4.740 0.004 0.000 0.288 38 N C -2.308 173.396 175.510 0.324 0.000 1.059 38 N CA -2.020 51.095 53.050 0.110 0.000 0.946 38 N CB 2.196 40.612 38.487 -0.118 0.000 1.150 38 N HN 0.056 nan 8.380 nan 0.000 0.479 39 P HA 0.175 nan 4.420 nan 0.000 0.253 39 P C -0.510 176.980 177.300 0.316 0.000 1.863 39 P CA -0.220 62.940 63.100 0.100 0.000 1.145 39 P CB -0.076 31.591 31.700 -0.056 0.000 1.666 40 T N -2.442 112.329 114.554 0.363 0.000 2.920 40 T HA 0.711 5.064 4.350 0.004 0.000 0.292 40 T C 0.440 175.135 174.700 -0.009 0.000 1.093 40 T CA -0.382 61.917 62.100 0.331 0.000 0.944 40 T CB 0.784 69.864 68.868 0.354 0.000 1.605 40 T HN 0.239 nan 8.240 nan 0.000 0.590 41 S N -1.320 114.209 115.700 -0.284 0.000 2.724 41 S HA 0.370 4.842 4.470 0.004 0.000 0.278 41 S C 1.267 175.730 174.600 -0.228 0.000 1.190 41 S CA -0.020 57.692 58.200 -0.814 0.000 0.860 41 S CB 0.574 63.631 63.200 -0.238 0.000 1.206 41 S HN 1.220 nan 8.310 nan 0.000 0.507 42 S N 0.025 115.771 115.700 0.075 0.000 2.440 42 S HA -0.212 4.260 4.470 0.004 0.000 0.240 42 S C 1.474 176.237 174.600 0.273 0.000 1.014 42 S CA 1.511 59.922 58.200 0.350 0.000 0.980 42 S CB -1.207 62.171 63.200 0.298 0.000 0.775 42 S HN 0.783 nan 8.310 nan 0.000 0.499 43 Y N 2.048 122.348 120.300 0.001 0.000 2.241 43 Y HA -0.084 4.470 4.550 0.006 0.000 0.286 43 Y C 2.088 177.941 175.900 -0.078 0.000 1.166 43 Y CA 1.034 59.079 58.100 -0.092 0.000 1.203 43 Y CB -0.399 37.881 38.460 -0.301 0.000 0.977 43 Y HN 0.263 nan 8.280 nan 0.000 0.529 44 L N -1.107 120.123 121.223 0.011 0.000 2.081 44 L HA -0.263 4.079 4.340 0.004 0.000 0.212 44 L C 1.130 177.766 176.870 -0.390 0.000 1.080 44 L CA 1.938 56.673 54.840 -0.175 0.000 0.754 44 L CB -0.427 41.394 42.059 -0.396 0.000 0.893 44 L HN 0.453 nan 8.230 nan 0.000 0.433 45 W N -0.228 121.036 121.300 -0.061 0.000 3.316 45 W HA 0.121 4.783 4.660 0.003 0.000 0.327 45 W C 2.241 178.556 176.519 -0.341 0.000 1.232 45 W CA -0.469 56.759 57.345 -0.195 0.000 1.805 45 W CB -0.115 29.185 29.460 -0.266 0.000 1.090 45 W HN 0.115 nan 8.180 nan 0.000 0.654 46 R N 0.732 121.139 120.500 -0.154 0.000 2.127 46 R HA -0.151 4.192 4.340 0.004 0.000 0.238 46 R C 0.945 177.146 176.300 -0.165 0.000 1.134 46 R CA 1.654 57.645 56.100 -0.182 0.000 0.975 46 R CB -0.613 29.503 30.300 -0.307 0.000 0.865 46 R HN 0.129 nan 8.270 nan 0.000 0.447 47 N N 0.060 118.679 118.700 -0.136 0.000 2.280 47 N HA 0.162 4.905 4.740 0.004 0.000 0.192 47 N C 1.396 176.915 175.510 0.015 0.000 1.109 47 N CA 0.390 53.408 53.050 -0.052 0.000 0.855 47 N CB 0.505 38.971 38.487 -0.034 0.000 0.974 47 N HN 0.339 nan 8.380 nan 0.000 0.482 48 I N 0.184 120.729 120.570 -0.043 0.000 2.810 48 I HA 0.035 4.207 4.170 0.004 0.000 0.262 48 I C 1.975 178.031 176.117 -0.102 0.000 1.131 48 I CA 0.366 61.683 61.300 0.029 0.000 1.453 48 I CB 0.039 38.135 38.000 0.160 0.000 1.161 48 I HN -0.051 nan 8.210 nan 0.000 0.444 49 M N 0.824 120.098 119.600 -0.544 0.000 2.144 49 M HA -0.156 4.326 4.480 0.004 0.000 0.260 49 M C -0.538 175.413 176.300 -0.581 0.000 1.067 49 M CA 2.239 56.993 55.300 -0.909 0.000 1.095 49 M CB -1.558 30.025 32.600 -1.695 0.000 1.365 49 M HN 0.061 nan 8.290 nan 0.000 0.406 50 P HA -0.159 nan 4.420 nan 0.000 0.217 50 P C 0.768 178.019 177.300 -0.081 0.000 1.148 50 P CA 1.439 64.483 63.100 -0.094 0.000 0.828 50 P CB -0.209 31.473 31.700 -0.030 0.000 0.783 51 H N -2.390 116.652 119.070 -0.046 0.000 2.457 51 H HA -0.060 4.498 4.556 0.003 0.000 0.297 51 H C 1.165 176.511 175.328 0.031 0.000 1.092 51 H CA 1.039 57.090 56.048 0.006 0.000 1.309 51 H CB -0.835 28.937 29.762 0.016 0.000 1.382 51 H HN 0.178 nan 8.280 nan 0.000 0.535 52 C N 0.906 120.283 119.300 0.128 0.000 2.614 52 C HA 0.541 5.003 4.460 0.004 0.000 0.299 52 C C 1.210 176.258 174.990 0.096 0.000 1.293 52 C CA -0.451 58.641 59.018 0.123 0.000 1.713 52 C CB -1.620 26.226 27.740 0.176 0.000 1.890 52 C HN 0.538 nan 8.230 nan 0.000 0.602 53 A N 0.608 123.477 122.820 0.083 0.000 2.566 53 A HA 0.407 4.729 4.320 0.004 0.000 0.245 53 A C 1.495 179.118 177.584 0.065 0.000 1.056 53 A CA 1.238 53.331 52.037 0.093 0.000 0.757 53 A CB -0.484 18.561 19.000 0.076 0.000 0.979 53 A HN 1.540 nan 8.150 nan 0.000 0.508 54 G N 1.172 110.010 108.800 0.063 0.000 2.179 54 G HA2 -0.263 3.700 3.960 0.004 0.000 0.260 54 G HA3 -0.263 3.700 3.960 0.004 0.000 0.260 54 G C 0.636 175.558 174.900 0.036 0.000 0.977 54 G CA 0.636 45.761 45.100 0.042 0.000 0.641 54 G HN 0.846 nan 8.290 nan 0.000 0.533 55 L N -0.057 121.193 121.223 0.045 0.000 2.513 55 L HA 0.531 4.874 4.340 0.004 0.000 0.222 55 L C 1.449 178.332 176.870 0.021 0.000 1.096 55 L CA 0.786 55.644 54.840 0.030 0.000 0.857 55 L CB 0.182 42.262 42.059 0.035 0.000 1.026 55 L HN 0.650 nan 8.230 nan 0.000 0.469 56 G N -0.344 108.478 108.800 0.037 0.000 2.342 56 G HA2 0.202 4.164 3.960 0.004 0.000 0.297 56 G HA3 0.202 4.164 3.960 0.004 0.000 0.297 56 G C -1.610 173.320 174.900 0.051 0.000 1.313 56 G CA -0.861 44.255 45.100 0.026 0.000 0.830 56 G HN -0.102 nan 8.290 nan 0.000 0.506 57 R N 0.455 120.977 120.500 0.037 0.000 2.242 57 R HA 0.416 4.758 4.340 0.004 0.000 0.334 57 R C -0.366 175.987 176.300 0.088 0.000 1.071 57 R CA -0.355 55.779 56.100 0.056 0.000 0.922 57 R CB -0.135 30.182 30.300 0.029 0.000 1.023 57 R HN 0.359 nan 8.270 nan 0.000 0.458 58 L N 7.263 128.578 121.223 0.153 0.000 2.261 58 L HA 0.392 4.735 4.340 0.004 0.000 0.289 58 L C -0.166 176.837 176.870 0.223 0.000 1.059 58 L CA -0.283 54.694 54.840 0.229 0.000 0.816 58 L CB 0.725 42.934 42.059 0.249 0.000 1.191 58 L HN 0.539 nan 8.230 nan 0.000 0.431 59 I N 2.983 123.686 120.570 0.222 0.000 2.545 59 I HA 0.671 4.844 4.170 0.004 0.000 0.292 59 I C -0.212 176.046 176.117 0.234 0.000 1.040 59 I CA -0.552 60.867 61.300 0.198 0.000 1.068 59 I CB 2.197 40.240 38.000 0.071 0.000 1.251 59 I HN 0.632 nan 8.210 nan 0.000 0.424 60 A N 5.213 128.187 122.820 0.256 0.000 2.411 60 A HA 0.610 4.932 4.320 0.004 0.000 0.285 60 A C -0.849 176.957 177.584 0.371 0.000 1.129 60 A CA -0.381 51.833 52.037 0.295 0.000 0.736 60 A CB 0.742 19.903 19.000 0.269 0.000 1.186 60 A HN 0.759 nan 8.150 nan 0.000 0.445 61 C N 1.598 121.143 119.300 0.409 0.000 2.463 61 C HA 0.526 4.988 4.460 0.004 0.000 0.380 61 C C -0.031 175.253 174.990 0.489 0.000 1.264 61 C CA -0.477 58.797 59.018 0.428 0.000 2.161 61 C CB 0.444 28.430 27.740 0.410 0.000 2.515 61 C HN 0.754 nan 8.230 nan 0.000 0.565 62 D N 2.510 123.164 120.400 0.422 0.000 2.317 62 D HA 0.374 5.016 4.640 0.004 0.000 0.234 62 D C 0.176 176.746 176.300 0.449 0.000 1.112 62 D CA 0.053 54.335 54.000 0.470 0.000 0.840 62 D CB 0.825 41.781 40.800 0.260 0.000 1.078 62 D HN 0.387 nan 8.370 nan 0.000 0.486 63 L N 1.898 123.462 121.223 0.568 0.000 2.492 63 L HA 0.033 4.375 4.340 0.004 0.000 0.280 63 L C 1.019 178.102 176.870 0.354 0.000 1.240 63 L CA -0.509 54.576 54.840 0.409 0.000 0.831 63 L CB 0.191 42.519 42.059 0.447 0.000 1.100 63 L HN 0.308 nan 8.230 nan 0.000 0.505 64 I N 1.852 122.567 120.570 0.242 0.000 2.845 64 I HA 0.077 4.249 4.170 0.004 0.000 0.296 64 I C 1.203 177.414 176.117 0.157 0.000 1.216 64 I CA 1.576 62.895 61.300 0.032 0.000 1.438 64 I CB 0.525 38.276 38.000 -0.415 0.000 1.342 64 I HN 0.763 nan 8.210 nan 0.000 0.577 65 G N 5.458 114.341 108.800 0.139 0.000 2.189 65 G HA2 -0.273 3.689 3.960 0.004 0.000 0.267 65 G HA3 -0.273 3.689 3.960 0.004 0.000 0.267 65 G C 0.227 175.177 174.900 0.085 0.000 0.975 65 G CA 0.667 45.843 45.100 0.127 0.000 0.644 65 G HN 0.579 nan 8.290 nan 0.000 0.537 66 M N -1.061 118.628 119.600 0.148 0.000 2.727 66 M HA 0.594 5.076 4.480 0.004 0.000 0.300 66 M C 1.389 177.702 176.300 0.021 0.000 1.246 66 M CA -0.156 55.222 55.300 0.129 0.000 0.835 66 M CB 1.739 34.584 32.600 0.408 0.000 1.755 66 M HN 1.139 nan 8.290 nan 0.000 0.473 67 G N 0.948 109.681 108.800 -0.112 0.000 2.672 67 G HA2 -0.257 3.705 3.960 0.004 0.000 0.324 67 G HA3 -0.257 3.705 3.960 0.004 0.000 0.324 67 G C 0.053 174.914 174.900 -0.065 0.000 1.286 67 G CA 0.709 45.750 45.100 -0.097 0.000 1.004 67 G HN 0.831 nan 8.290 nan 0.000 0.548 68 D N 1.172 121.591 120.400 0.032 0.000 2.368 68 D HA 0.317 4.959 4.640 0.004 0.000 0.218 68 D C 0.673 177.082 176.300 0.181 0.000 1.112 68 D CA 0.413 54.473 54.000 0.100 0.000 0.834 68 D CB 0.330 41.232 40.800 0.170 0.000 0.953 68 D HN 0.227 nan 8.370 nan 0.000 0.505 69 S N 1.184 116.973 115.700 0.148 0.000 2.584 69 S HA 0.095 4.568 4.470 0.004 0.000 0.273 69 S C 0.170 174.832 174.600 0.103 0.000 1.311 69 S CA -0.635 57.666 58.200 0.169 0.000 1.034 69 S CB 1.436 64.739 63.200 0.172 0.000 0.939 69 S HN 0.076 nan 8.310 nan 0.000 0.513 70 D N 2.449 122.903 120.400 0.091 0.000 2.419 70 D HA 0.069 4.711 4.640 0.004 0.000 0.236 70 D C 0.232 176.554 176.300 0.037 0.000 1.165 70 D CA 0.354 54.381 54.000 0.046 0.000 0.882 70 D CB 0.437 41.257 40.800 0.034 0.000 1.201 70 D HN 0.189 nan 8.370 nan 0.000 0.443 71 K N 1.251 121.679 120.400 0.048 0.000 2.185 71 K HA 0.340 4.662 4.320 0.004 0.000 0.271 71 K C 0.137 176.762 176.600 0.042 0.000 1.013 71 K CA -0.469 55.883 56.287 0.109 0.000 0.943 71 K CB 0.779 33.338 32.500 0.098 0.000 0.998 71 K HN 0.340 nan 8.250 nan 0.000 0.468 72 L N 1.445 122.677 121.223 0.015 0.000 2.375 72 L HA 0.262 4.604 4.340 0.004 0.000 0.271 72 L C 0.102 176.909 176.870 -0.106 0.000 1.107 72 L CA -0.345 54.385 54.840 -0.183 0.000 0.806 72 L CB 0.777 42.513 42.059 -0.539 0.000 1.146 72 L HN 0.559 nan 8.230 nan 0.000 0.447 73 D N 2.771 123.117 120.400 -0.090 0.000 2.891 73 D HA 0.322 4.964 4.640 0.004 0.000 0.224 73 D C -2.341 173.925 176.300 -0.056 0.000 1.321 73 D CA -0.950 53.018 54.000 -0.053 0.000 0.929 73 D CB 1.720 42.508 40.800 -0.020 0.000 1.551 73 D HN 0.257 nan 8.370 nan 0.000 0.574 74 P HA 0.310 nan 4.420 nan 0.000 0.269 74 P C -0.718 176.526 177.300 -0.092 0.000 1.215 74 P CA -0.381 62.685 63.100 -0.057 0.000 0.780 74 P CB 1.110 32.782 31.700 -0.047 0.000 0.898 75 S N -0.406 115.262 115.700 -0.054 0.000 2.548 75 S HA 0.804 5.276 4.470 0.004 0.000 0.286 75 S C -0.388 174.207 174.600 -0.008 0.000 1.098 75 S CA 0.182 58.355 58.200 -0.045 0.000 0.930 75 S CB 1.406 64.641 63.200 0.058 0.000 1.070 75 S HN 1.009 nan 8.310 nan 0.000 0.480 76 G N 2.738 111.538 108.800 -0.001 0.000 2.341 76 G HA2 0.385 4.347 3.960 0.004 0.000 0.299 76 G HA3 0.385 4.347 3.960 0.004 0.000 0.299 76 G C -2.803 172.101 174.900 0.007 0.000 1.274 76 G CA -0.550 44.553 45.100 0.006 0.000 0.853 76 G HN 0.407 nan 8.290 nan 0.000 0.493 77 P HA -0.030 nan 4.420 nan 0.000 0.217 77 P C 1.135 178.431 177.300 -0.006 0.000 1.148 77 P CA 1.419 64.523 63.100 0.006 0.000 0.828 77 P CB 0.214 31.920 31.700 0.010 0.000 0.783 78 E N -1.745 118.442 120.200 -0.023 0.000 2.489 78 E HA 0.028 4.380 4.350 0.004 0.000 0.193 78 E C 0.870 177.423 176.600 -0.079 0.000 1.057 78 E CA -0.155 56.221 56.400 -0.039 0.000 0.866 78 E CB 0.089 29.767 29.700 -0.037 0.000 0.916 78 E HN 0.051 nan 8.360 nan 0.000 0.500 79 R N -0.465 119.977 120.500 -0.096 0.000 2.532 79 R HA 0.105 4.447 4.340 0.004 0.000 0.272 79 R C -0.780 175.435 176.300 -0.140 0.000 1.032 79 R CA -0.336 55.632 56.100 -0.220 0.000 1.089 79 R CB 0.148 30.251 30.300 -0.329 0.000 1.098 79 R HN 0.001 nan 8.270 nan 0.000 0.526 80 Y N -0.995 119.130 120.300 -0.291 0.000 3.929 80 Y HA -0.273 4.279 4.550 0.004 0.000 0.225 80 Y C 0.170 175.796 175.900 -0.457 0.000 1.200 80 Y CA 0.562 58.388 58.100 -0.456 0.000 1.791 80 Y CB -2.413 35.797 38.460 -0.418 0.000 1.561 80 Y HN 0.654 nan 8.280 nan 0.000 0.657 81 A N -0.433 122.268 122.820 -0.197 0.000 2.327 81 A HA 0.353 4.675 4.320 0.004 0.000 0.255 81 A C 1.104 178.596 177.584 -0.153 0.000 1.099 81 A CA 0.217 52.156 52.037 -0.164 0.000 0.801 81 A CB 0.096 19.067 19.000 -0.049 0.000 1.062 81 A HN 0.476 nan 8.150 nan 0.000 0.496 82 Y N 0.663 120.864 120.300 -0.164 0.000 2.114 82 Y HA -0.209 4.343 4.550 0.004 0.000 0.282 82 Y C 2.414 178.382 175.900 0.114 0.000 1.165 82 Y CA 2.890 61.005 58.100 0.024 0.000 1.148 82 Y CB -0.436 38.125 38.460 0.169 0.000 0.972 82 Y HN 0.600 nan 8.280 nan 0.000 0.504 83 A N -0.172 122.776 122.820 0.213 0.000 1.972 83 A HA -0.230 4.093 4.320 0.004 0.000 0.219 83 A C 2.183 179.770 177.584 0.004 0.000 1.169 83 A CA 1.824 53.939 52.037 0.130 0.000 0.635 83 A CB -0.836 18.256 19.000 0.154 0.000 0.810 83 A HN 0.691 nan 8.150 nan 0.000 0.446 84 E N -1.190 118.989 120.200 -0.034 0.000 2.107 84 E HA -0.210 4.143 4.350 0.004 0.000 0.191 84 E C 1.718 178.305 176.600 -0.021 0.000 0.982 84 E CA 1.037 57.411 56.400 -0.045 0.000 0.809 84 E CB -0.207 29.410 29.700 -0.139 0.000 0.756 84 E HN 0.798 nan 8.360 nan 0.000 0.459 85 H N -0.231 118.768 119.070 -0.118 0.000 2.353 85 H HA -0.055 4.504 4.556 0.004 0.000 0.300 85 H C 2.190 177.463 175.328 -0.092 0.000 1.090 85 H CA 1.890 57.888 56.048 -0.083 0.000 1.327 85 H CB 0.080 29.774 29.762 -0.113 0.000 1.383 85 H HN 0.017 nan 8.280 nan 0.000 0.508 86 R N 0.487 120.933 120.500 -0.091 0.000 2.075 86 R HA -0.152 4.190 4.340 0.004 0.000 0.232 86 R C 1.717 177.991 176.300 -0.045 0.000 1.126 86 R CA 1.907 57.932 56.100 -0.126 0.000 0.963 86 R CB -0.105 30.105 30.300 -0.151 0.000 0.858 86 R HN 0.296 nan 8.270 nan 0.000 0.435 87 D N -0.727 119.659 120.400 -0.023 0.000 2.117 87 D HA -0.191 4.452 4.640 0.004 0.000 0.197 87 D C 1.486 177.704 176.300 -0.136 0.000 0.987 87 D CA 1.402 55.359 54.000 -0.071 0.000 0.829 87 D CB -0.074 40.664 40.800 -0.104 0.000 0.961 87 D HN 0.294 nan 8.370 nan 0.000 0.460 88 Y N -0.399 119.847 120.300 -0.090 0.000 2.184 88 Y HA -0.022 4.530 4.550 0.004 0.000 0.290 88 Y C 2.092 177.922 175.900 -0.116 0.000 1.129 88 Y CA 0.659 58.712 58.100 -0.079 0.000 1.144 88 Y CB -0.397 38.020 38.460 -0.072 0.000 0.995 88 Y HN 0.035 nan 8.280 nan 0.000 0.513 89 L N 0.114 121.309 121.223 -0.047 0.000 2.093 89 L HA -0.199 4.144 4.340 0.004 0.000 0.208 89 L C 1.654 178.246 176.870 -0.463 0.000 1.085 89 L CA 1.812 56.431 54.840 -0.369 0.000 0.755 89 L CB -0.714 40.995 42.059 -0.584 0.000 0.904 89 L HN 0.083 nan 8.230 nan 0.000 0.435 90 D N -0.387 119.886 120.400 -0.211 0.000 2.104 90 D HA -0.183 4.459 4.640 0.004 0.000 0.194 90 D C 2.213 178.543 176.300 0.050 0.000 0.994 90 D CA 1.556 55.567 54.000 0.018 0.000 0.830 90 D CB -0.197 40.684 40.800 0.136 0.000 0.959 90 D HN 0.455 nan 8.370 nan 0.000 0.452 91 A N 0.452 123.265 122.820 -0.012 0.000 1.877 91 A HA -0.145 4.177 4.320 0.004 0.000 0.216 91 A C 2.149 179.751 177.584 0.030 0.000 1.186 91 A CA 1.228 53.267 52.037 0.003 0.000 0.620 91 A CB -0.835 18.128 19.000 -0.063 0.000 0.822 91 A HN 0.276 nan 8.150 nan 0.000 0.443 92 L N -1.308 119.921 121.223 0.009 0.000 2.012 92 L HA -0.150 4.192 4.340 0.004 0.000 0.210 92 L C 2.204 179.147 176.870 0.123 0.000 1.073 92 L CA 1.928 56.792 54.840 0.040 0.000 0.748 92 L CB -0.794 41.283 42.059 0.031 0.000 0.891 92 L HN 0.569 nan 8.230 nan 0.000 0.431 93 W N 0.200 121.419 121.300 -0.134 0.000 2.363 93 W HA -0.152 4.511 4.660 0.006 0.000 0.296 93 W C 2.738 179.199 176.519 -0.097 0.000 1.212 93 W CA 1.325 58.547 57.345 -0.205 0.000 1.260 93 W CB -0.979 28.237 29.460 -0.406 0.000 1.131 93 W HN 0.334 nan 8.180 nan 0.000 0.530 94 E N 0.416 120.739 120.200 0.205 0.000 2.047 94 E HA -0.125 4.227 4.350 0.004 0.000 0.191 94 E C 2.229 178.877 176.600 0.079 0.000 0.987 94 E CA 2.044 58.530 56.400 0.144 0.000 0.799 94 E CB -0.729 29.050 29.700 0.131 0.000 0.752 94 E HN -0.009 nan 8.360 nan 0.000 0.449 95 A N 0.456 123.311 122.820 0.058 0.000 2.019 95 A HA -0.105 4.217 4.320 0.004 0.000 0.219 95 A C 2.204 179.788 177.584 -0.001 0.000 1.164 95 A CA 1.264 53.319 52.037 0.030 0.000 0.644 95 A CB -0.675 18.341 19.000 0.027 0.000 0.805 95 A HN 0.360 nan 8.150 nan 0.000 0.449 96 L N -1.020 120.183 121.223 -0.033 0.000 2.465 96 L HA -0.060 4.282 4.340 0.004 0.000 0.224 96 L C 0.416 177.261 176.870 -0.041 0.000 1.145 96 L CA 0.519 55.308 54.840 -0.085 0.000 0.834 96 L CB -0.493 41.462 42.059 -0.173 0.000 0.944 96 L HN 0.408 nan 8.230 nan 0.000 0.451 97 D N 0.081 120.477 120.400 -0.007 0.000 2.956 97 D HA -0.199 4.443 4.640 0.004 0.000 0.240 97 D C 0.684 176.977 176.300 -0.011 0.000 1.141 97 D CA 0.396 54.400 54.000 0.007 0.000 0.820 97 D CB -0.908 39.900 40.800 0.014 0.000 0.988 97 D HN 0.196 nan 8.370 nan 0.000 0.417 98 L N 0.364 121.574 121.223 -0.021 0.000 2.341 98 L HA 0.251 4.593 4.340 0.004 0.000 0.214 98 L C 2.068 178.930 176.870 -0.013 0.000 1.115 98 L CA 0.616 55.424 54.840 -0.054 0.000 0.820 98 L CB -0.601 41.383 42.059 -0.124 0.000 0.944 98 L HN 0.623 nan 8.230 nan 0.000 0.452 99 G N 1.529 110.343 108.800 0.023 0.000 2.642 99 G HA2 -0.309 3.654 3.960 0.004 0.000 0.231 99 G HA3 -0.309 3.654 3.960 0.004 0.000 0.231 99 G C -0.128 174.804 174.900 0.053 0.000 1.338 99 G CA 0.091 45.209 45.100 0.030 0.000 0.883 99 G HN 0.435 nan 8.290 nan 0.000 0.570 100 D N -0.871 119.554 120.400 0.041 0.000 2.462 100 D HA 0.210 4.852 4.640 0.004 0.000 0.221 100 D C 0.932 177.258 176.300 0.043 0.000 1.173 100 D CA -0.139 53.893 54.000 0.053 0.000 0.831 100 D CB 0.252 41.076 40.800 0.040 0.000 1.001 100 D HN 0.336 nan 8.370 nan 0.000 0.499 101 R N 0.949 121.462 120.500 0.023 0.000 2.835 101 R HA 0.295 4.638 4.340 0.004 0.000 0.290 101 R C -0.859 175.431 176.300 -0.018 0.000 1.410 101 R CA -0.474 55.628 56.100 0.004 0.000 1.590 101 R CB 1.195 31.486 30.300 -0.014 0.000 1.288 101 R HN -0.010 nan 8.270 nan 0.000 0.637 102 V N 1.463 121.379 119.914 0.003 0.000 2.498 102 V HA 0.267 4.389 4.120 0.004 0.000 0.279 102 V C 0.562 176.621 176.094 -0.059 0.000 1.048 102 V CA -0.611 61.654 62.300 -0.058 0.000 0.967 102 V CB 1.997 33.777 31.823 -0.071 0.000 0.988 102 V HN 0.031 nan 8.190 nan 0.000 0.473 103 V N 6.856 126.694 119.914 -0.126 0.000 2.347 103 V HA 0.386 4.508 4.120 0.004 0.000 0.280 103 V C 0.005 175.985 176.094 -0.191 0.000 1.021 103 V CA -0.406 61.831 62.300 -0.104 0.000 0.847 103 V CB 1.408 33.153 31.823 -0.129 0.000 0.990 103 V HN 0.620 nan 8.190 nan 0.000 0.444 104 L N 5.749 126.913 121.223 -0.098 0.000 2.292 104 L HA 0.566 4.908 4.340 0.004 0.000 0.284 104 L C -0.467 176.297 176.870 -0.178 0.000 1.065 104 L CA -0.487 54.251 54.840 -0.170 0.000 0.806 104 L CB 1.590 43.649 42.059 -0.000 0.000 1.175 104 L HN 0.334 nan 8.230 nan 0.000 0.431 105 V N 4.463 124.139 119.914 -0.397 0.000 2.376 105 V HA 0.507 4.629 4.120 0.004 0.000 0.287 105 V C -0.150 175.779 176.094 -0.276 0.000 1.015 105 V CA -0.581 61.460 62.300 -0.430 0.000 0.834 105 V CB 1.860 33.088 31.823 -0.992 0.000 1.001 105 V HN 0.549 nan 8.190 nan 0.000 0.428 106 V N 1.311 121.257 119.914 0.053 0.000 3.040 106 V HA 0.739 4.862 4.120 0.004 0.000 0.312 106 V C -0.950 175.400 176.094 0.427 0.000 1.115 106 V CA -0.576 61.854 62.300 0.217 0.000 0.998 106 V CB 2.292 34.115 31.823 -0.001 0.000 1.042 106 V HN 0.955 nan 8.190 nan 0.000 0.433 107 H N 0.707 119.946 119.070 0.282 0.000 2.954 107 H HA 0.366 4.925 4.556 0.005 0.000 0.361 107 H C -0.020 175.305 175.328 -0.005 0.000 1.122 107 H CA 0.657 56.786 56.048 0.135 0.000 1.217 107 H CB 2.496 32.328 29.762 0.116 0.000 1.776 107 H HN 1.179 nan 8.280 nan 0.000 0.533 108 D N 2.191 122.207 120.400 -0.641 0.000 3.608 108 D HA -0.341 4.301 4.640 0.004 0.000 0.152 108 D C 0.698 176.703 176.300 -0.493 0.000 0.971 108 D CA 2.525 56.166 54.000 -0.599 0.000 1.072 108 D CB -0.972 39.447 40.800 -0.635 0.000 0.507 108 D HN 0.662 nan 8.370 nan 0.000 0.520 109 W N 0.175 121.232 121.300 -0.405 0.000 2.421 109 W HA 0.140 4.802 4.660 0.004 0.000 0.270 109 W C 2.444 178.746 176.519 -0.362 0.000 1.233 109 W CA 0.636 57.648 57.345 -0.555 0.000 1.226 109 W CB -0.436 28.167 29.460 -1.428 0.000 1.121 109 W HN 0.412 nan 8.180 nan 0.000 0.579 110 G N -0.222 108.533 108.800 -0.074 0.000 2.422 110 G HA2 -0.277 3.685 3.960 0.004 0.000 0.218 110 G HA3 -0.277 3.685 3.960 0.004 0.000 0.218 110 G C 1.571 176.432 174.900 -0.065 0.000 1.140 110 G CA 1.364 46.466 45.100 0.004 0.000 0.775 110 G HN 0.318 nan 8.290 nan 0.000 0.545 111 S N 1.051 116.614 115.700 -0.228 0.000 2.377 111 S HA 0.245 4.718 4.470 0.004 0.000 0.223 111 S C 2.632 176.798 174.600 -0.723 0.000 1.030 111 S CA 1.284 59.084 58.200 -0.668 0.000 0.970 111 S CB -0.449 62.324 63.200 -0.711 0.000 0.830 111 S HN 0.497 nan 8.310 nan 0.000 0.473 112 A N 2.242 124.910 122.820 -0.253 0.000 1.883 112 A HA 0.096 4.418 4.320 0.004 0.000 0.217 112 A C 2.352 180.105 177.584 0.281 0.000 1.186 112 A CA 1.573 53.664 52.037 0.090 0.000 0.624 112 A CB -0.982 18.291 19.000 0.456 0.000 0.822 112 A HN 0.540 nan 8.150 nan 0.000 0.444 113 L N -0.858 120.562 121.223 0.328 0.000 2.056 113 L HA -0.099 4.244 4.340 0.004 0.000 0.207 113 L C 2.851 179.865 176.870 0.239 0.000 1.078 113 L CA 1.089 56.097 54.840 0.281 0.000 0.749 113 L CB -0.772 41.327 42.059 0.065 0.000 0.901 113 L HN 0.495 nan 8.230 nan 0.000 0.433 114 G N -0.434 108.457 108.800 0.152 0.000 2.402 114 G HA2 -0.243 3.720 3.960 0.004 0.000 0.216 114 G HA3 -0.243 3.720 3.960 0.004 0.000 0.216 114 G C 1.344 176.456 174.900 0.354 0.000 1.162 114 G CA 0.327 45.603 45.100 0.294 0.000 0.777 114 G HN 0.139 nan 8.290 nan 0.000 0.539 115 F N 1.503 121.487 119.950 0.057 0.000 2.134 115 F HA -0.000 4.528 4.527 0.003 0.000 0.299 115 F C 2.303 178.128 175.800 0.042 0.000 1.097 115 F CA 0.733 58.689 58.000 -0.074 0.000 1.264 115 F CB -0.794 37.780 39.000 -0.710 0.000 1.001 115 F HN 0.182 nan 8.300 nan 0.000 0.479 116 D N -1.054 119.518 120.400 0.288 0.000 2.097 116 D HA -0.257 4.385 4.640 0.004 0.000 0.195 116 D C 2.228 178.720 176.300 0.321 0.000 0.989 116 D CA 1.247 55.486 54.000 0.398 0.000 0.827 116 D CB -0.572 40.572 40.800 0.573 0.000 0.966 116 D HN 0.302 nan 8.370 nan 0.000 0.456 117 W N 1.289 122.742 121.300 0.254 0.000 2.338 117 W HA -0.138 4.524 4.660 0.004 0.000 0.304 117 W C 2.369 179.063 176.519 0.291 0.000 1.212 117 W CA 2.647 60.197 57.345 0.340 0.000 1.264 117 W CB -0.491 29.242 29.460 0.454 0.000 1.142 117 W HN 0.067 nan 8.180 nan 0.000 0.512 118 A N 0.434 123.504 122.820 0.417 0.000 1.877 118 A HA -0.230 4.092 4.320 0.004 0.000 0.216 118 A C 2.079 179.313 177.584 -0.582 0.000 1.186 118 A CA 1.920 54.039 52.037 0.138 0.000 0.620 118 A CB -1.071 18.217 19.000 0.479 0.000 0.822 118 A HN 0.407 nan 8.150 nan 0.000 0.443 119 R N -0.364 119.572 120.500 -0.940 0.000 2.117 119 R HA -0.138 4.204 4.340 0.004 0.000 0.243 119 R C 2.097 177.851 176.300 -0.911 0.000 1.143 119 R CA 1.785 56.932 56.100 -1.588 0.000 0.968 119 R CB -0.193 29.617 30.300 -0.815 0.000 0.863 119 R HN 0.520 nan 8.270 nan 0.000 0.444 120 R N -1.406 118.730 120.500 -0.606 0.000 2.275 120 R HA 0.001 4.343 4.340 0.004 0.000 0.199 120 R C 0.108 175.784 176.300 -1.040 0.000 0.989 120 R CA 0.685 56.367 56.100 -0.698 0.000 1.016 120 R CB 0.271 30.201 30.300 -0.617 0.000 0.918 120 R HN 0.400 nan 8.270 nan 0.000 0.473 121 H N -0.841 117.858 119.070 -0.619 0.000 2.901 121 H HA 0.131 4.689 4.556 0.004 0.000 0.227 121 H C 0.798 175.902 175.328 -0.374 0.000 1.390 121 H CA -0.406 55.280 56.048 -0.603 0.000 1.120 121 H CB 0.383 29.438 29.762 -1.178 0.000 2.131 121 H HN 0.081 nan 8.280 nan 0.000 0.549 122 R N 0.533 120.896 120.500 -0.228 0.000 2.117 122 R HA -0.138 4.204 4.340 0.004 0.000 0.243 122 R C 0.514 176.848 176.300 0.057 0.000 1.143 122 R CA 1.573 57.661 56.100 -0.020 0.000 0.968 122 R CB -0.008 30.320 30.300 0.047 0.000 0.863 122 R HN 0.179 nan 8.270 nan 0.000 0.444 123 E N 0.981 121.184 120.200 0.005 0.000 2.409 123 E HA -0.082 4.270 4.350 0.004 0.000 0.198 123 E C 1.372 177.998 176.600 0.044 0.000 1.024 123 E CA 0.751 57.167 56.400 0.028 0.000 0.861 123 E CB -0.008 29.696 29.700 0.006 0.000 0.788 123 E HN 0.530 nan 8.360 nan 0.000 0.521 124 R N 0.141 120.672 120.500 0.052 0.000 2.393 124 R HA 0.184 4.526 4.340 0.004 0.000 0.244 124 R C -0.058 176.333 176.300 0.152 0.000 0.920 124 R CA -0.033 56.124 56.100 0.094 0.000 1.076 124 R CB 0.968 31.334 30.300 0.111 0.000 1.119 124 R HN -0.146 nan 8.270 nan 0.000 0.524 125 V N 1.606 121.614 119.914 0.156 0.000 2.334 125 V HA 0.081 4.203 4.120 0.004 0.000 0.281 125 V C 0.931 177.101 176.094 0.127 0.000 1.016 125 V CA -0.311 62.104 62.300 0.191 0.000 0.832 125 V CB 1.445 33.440 31.823 0.287 0.000 0.999 125 V HN 0.207 nan 8.190 nan 0.000 0.439 126 Q N 3.792 123.635 119.800 0.071 0.000 2.187 126 Q HA 0.203 4.545 4.340 0.004 0.000 0.199 126 Q C 0.799 176.804 176.000 0.008 0.000 0.957 126 Q CA 1.203 57.014 55.803 0.013 0.000 0.857 126 Q CB 0.492 29.206 28.738 -0.040 0.000 0.929 126 Q HN 0.898 nan 8.270 nan 0.000 0.453 127 G N -0.243 108.596 108.800 0.064 0.000 2.632 127 G HA2 0.503 4.465 3.960 0.004 0.000 0.292 127 G HA3 0.503 4.465 3.960 0.004 0.000 0.292 127 G C -1.763 173.327 174.900 0.316 0.000 1.465 127 G CA -0.787 44.423 45.100 0.184 0.000 0.824 127 G HN 0.144 nan 8.290 nan 0.000 0.509 128 I N 0.891 121.731 120.570 0.450 0.000 2.478 128 I HA 0.595 4.767 4.170 0.004 0.000 0.287 128 I C 0.198 176.527 176.117 0.352 0.000 1.042 128 I CA -0.898 60.632 61.300 0.383 0.000 1.067 128 I CB 2.180 40.412 38.000 0.387 0.000 1.233 128 I HN 0.684 nan 8.210 nan 0.000 0.431 129 A N 6.734 129.697 122.820 0.238 0.000 2.288 129 A HA 0.813 5.135 4.320 0.004 0.000 0.320 129 A C -1.196 176.536 177.584 0.246 0.000 1.217 129 A CA -0.333 51.738 52.037 0.057 0.000 0.840 129 A CB 0.540 19.501 19.000 -0.065 0.000 1.179 129 A HN 0.674 nan 8.150 nan 0.000 0.504 130 Y N 0.264 120.663 120.300 0.165 0.000 2.581 130 Y HA 0.842 5.395 4.550 0.005 0.000 0.345 130 Y C -0.749 175.310 175.900 0.264 0.000 1.036 130 Y CA -1.777 56.473 58.100 0.250 0.000 1.042 130 Y CB 1.575 40.300 38.460 0.443 0.000 1.289 130 Y HN 0.798 nan 8.280 nan 0.000 0.471 131 M N 0.687 120.489 119.600 0.338 0.000 2.414 131 M HA 0.453 4.935 4.480 0.004 0.000 0.287 131 M C -1.121 175.339 176.300 0.266 0.000 1.181 131 M CA -0.755 54.679 55.300 0.223 0.000 0.933 131 M CB 2.432 35.093 32.600 0.102 0.000 1.732 131 M HN 0.778 nan 8.290 nan 0.000 0.486 132 E N 0.415 120.731 120.200 0.193 0.000 2.149 132 E HA -0.170 4.183 4.350 0.004 0.000 0.191 132 E C -0.578 176.034 176.600 0.020 0.000 1.384 132 E CA 1.214 57.667 56.400 0.087 0.000 0.698 132 E CB -1.173 28.484 29.700 -0.072 0.000 1.086 132 E HN 0.808 nan 8.360 nan 0.000 0.338 133 A N 0.562 123.457 122.820 0.125 0.000 2.269 133 A HA 0.709 5.032 4.320 0.004 0.000 0.327 133 A C 0.611 178.214 177.584 0.033 0.000 1.112 133 A CA -0.578 51.505 52.037 0.077 0.000 0.865 133 A CB 0.867 20.060 19.000 0.322 0.000 1.227 133 A HN 0.273 nan 8.150 nan 0.000 0.498 134 I N 1.655 122.214 120.570 -0.019 0.000 2.318 134 I HA 0.201 4.373 4.170 0.004 0.000 0.285 134 I C 1.214 177.535 176.117 0.340 0.000 1.127 134 I CA -0.036 61.259 61.300 -0.009 0.000 1.243 134 I CB 0.738 38.562 38.000 -0.292 0.000 1.498 134 I HN 0.723 nan 8.210 nan 0.000 0.535 135 A N 6.896 129.945 122.820 0.381 0.000 2.208 135 A HA 0.249 4.572 4.320 0.004 0.000 0.209 135 A C 0.816 178.746 177.584 0.576 0.000 1.161 135 A CA 0.598 52.986 52.037 0.585 0.000 0.782 135 A CB -0.006 19.209 19.000 0.360 0.000 0.816 135 A HN 0.740 nan 8.150 nan 0.000 0.477 136 M N -4.241 115.541 119.600 0.304 0.000 2.853 136 M HA 0.479 4.962 4.480 0.004 0.000 0.273 136 M C -3.452 172.827 176.300 -0.034 0.000 1.128 136 M CA -1.731 53.618 55.300 0.082 0.000 0.814 136 M CB 0.794 33.373 32.600 -0.036 0.000 1.667 136 M HN -0.270 nan 8.290 nan 0.000 0.519 137 P HA 0.439 nan 4.420 nan 0.000 0.271 137 P C -1.036 176.199 177.300 -0.110 0.000 1.218 137 P CA -0.218 62.816 63.100 -0.112 0.000 0.780 137 P CB 0.443 32.068 31.700 -0.125 0.000 0.901 138 I N -1.889 118.611 120.570 -0.116 0.000 3.445 138 I HA 0.666 4.838 4.170 0.004 0.000 0.303 138 I C -0.441 175.585 176.117 -0.151 0.000 1.129 138 I CA -1.176 60.056 61.300 -0.114 0.000 0.989 138 I CB 1.910 39.856 38.000 -0.090 0.000 1.314 138 I HN 0.036 nan 8.210 nan 0.000 0.488 139 E N 0.347 120.477 120.200 -0.116 0.000 2.281 139 E HA 0.216 4.568 4.350 0.004 0.000 0.262 139 E C -0.268 176.278 176.600 -0.090 0.000 0.933 139 E CA -0.480 55.857 56.400 -0.105 0.000 0.809 139 E CB 1.535 31.232 29.700 -0.004 0.000 1.242 139 E HN 0.817 nan 8.360 nan 0.000 0.418 140 W N 0.959 122.280 121.300 0.036 0.000 2.350 140 W HA -0.154 4.509 4.660 0.004 0.000 0.289 140 W C 2.037 178.607 176.519 0.085 0.000 1.215 140 W CA 1.391 58.764 57.345 0.047 0.000 1.236 140 W CB -0.048 29.415 29.460 0.006 0.000 1.130 140 W HN 0.666 nan 8.180 nan 0.000 0.541 141 A N -0.112 122.864 122.820 0.260 0.000 2.070 141 A HA -0.197 4.125 4.320 0.004 0.000 0.220 141 A C 1.464 179.126 177.584 0.130 0.000 1.159 141 A CA 1.927 54.065 52.037 0.169 0.000 0.656 141 A CB -0.559 18.505 19.000 0.106 0.000 0.800 141 A HN 0.222 nan 8.150 nan 0.000 0.453 142 D N -1.984 118.482 120.400 0.111 0.000 2.354 142 D HA 0.110 4.752 4.640 0.004 0.000 0.209 142 D C -0.016 176.324 176.300 0.068 0.000 1.015 142 D CA 0.013 54.047 54.000 0.058 0.000 0.867 142 D CB 0.020 40.825 40.800 0.009 0.000 0.933 142 D HN 0.411 nan 8.370 nan 0.000 0.520 143 F N 2.794 122.743 119.950 -0.003 0.000 2.389 143 F HA 0.214 4.743 4.527 0.004 0.000 0.337 143 F C -1.818 173.987 175.800 0.009 0.000 1.112 143 F CA -2.418 55.571 58.000 -0.018 0.000 1.192 143 F CB 0.725 39.780 39.000 0.093 0.000 1.185 143 F HN -0.253 nan 8.300 nan 0.000 0.552 144 P HA -0.023 nan 4.420 nan 0.000 0.262 144 P C -0.118 177.202 177.300 0.033 0.000 1.199 144 P CA 0.379 63.337 63.100 -0.237 0.000 0.763 144 P CB 0.702 32.156 31.700 -0.410 0.000 0.790 145 E N 2.888 123.123 120.200 0.059 0.000 2.097 145 E HA -0.278 4.074 4.350 0.004 0.000 0.196 145 E C 2.073 178.732 176.600 0.097 0.000 1.000 145 E CA 2.024 58.483 56.400 0.097 0.000 0.804 145 E CB -0.520 29.213 29.700 0.055 0.000 0.740 145 E HN 0.664 nan 8.360 nan 0.000 0.454 146 Q N 0.377 120.215 119.800 0.063 0.000 2.181 146 Q HA -0.189 4.153 4.340 0.004 0.000 0.205 146 Q C 0.586 176.652 176.000 0.111 0.000 0.980 146 Q CA 1.773 57.615 55.803 0.065 0.000 0.862 146 Q CB 0.024 28.787 28.738 0.042 0.000 0.905 146 Q HN 0.189 nan 8.270 nan 0.000 0.429 147 D N -0.256 120.259 120.400 0.192 0.000 2.479 147 D HA 0.091 4.733 4.640 0.004 0.000 0.218 147 D C 1.224 177.805 176.300 0.469 0.000 1.177 147 D CA -0.186 54.013 54.000 0.331 0.000 0.830 147 D CB 0.198 41.283 40.800 0.475 0.000 1.014 147 D HN 0.300 nan 8.370 nan 0.000 0.503 148 R N 1.297 122.025 120.500 0.380 0.000 2.096 148 R HA -0.158 4.184 4.340 0.004 0.000 0.240 148 R C 1.110 177.390 176.300 -0.034 0.000 1.139 148 R CA 1.628 57.891 56.100 0.271 0.000 0.952 148 R CB 0.192 30.613 30.300 0.200 0.000 0.854 148 R HN -0.069 nan 8.270 nan 0.000 0.436 149 D N 0.431 120.800 120.400 -0.053 0.000 2.117 149 D HA -0.160 4.482 4.640 0.004 0.000 0.198 149 D C 1.842 178.035 176.300 -0.178 0.000 0.982 149 D CA 0.824 54.734 54.000 -0.151 0.000 0.828 149 D CB -0.233 40.499 40.800 -0.113 0.000 0.967 149 D HN 0.187 nan 8.370 nan 0.000 0.464 150 L N -0.203 120.928 121.223 -0.153 0.000 2.046 150 L HA -0.096 4.247 4.340 0.004 0.000 0.208 150 L C 1.977 178.442 176.870 -0.675 0.000 1.077 150 L CA 1.463 56.043 54.840 -0.434 0.000 0.747 150 L CB -0.621 41.178 42.059 -0.434 0.000 0.896 150 L HN -0.125 nan 8.230 nan 0.000 0.432 151 F N -0.226 119.531 119.950 -0.322 0.000 2.186 151 F HA -0.154 4.375 4.527 0.004 0.000 0.299 151 F C 2.574 178.375 175.800 0.002 0.000 1.090 151 F CA 1.365 59.332 58.000 -0.055 0.000 1.307 151 F CB -0.531 38.532 39.000 0.104 0.000 1.019 151 F HN 0.191 nan 8.300 nan 0.000 0.489 152 Q N -0.228 119.527 119.800 -0.075 0.000 2.124 152 Q HA -0.177 4.166 4.340 0.004 0.000 0.202 152 Q C 2.521 178.478 176.000 -0.071 0.000 0.977 152 Q CA 1.354 57.049 55.803 -0.180 0.000 0.850 152 Q CB -0.456 27.984 28.738 -0.498 0.000 0.901 152 Q HN 0.443 nan 8.270 nan 0.000 0.429 153 A N 0.595 123.321 122.820 -0.157 0.000 1.902 153 A HA -0.170 4.153 4.320 0.004 0.000 0.217 153 A C 1.700 179.288 177.584 0.007 0.000 1.181 153 A CA 1.168 53.128 52.037 -0.129 0.000 0.623 153 A CB -0.674 18.185 19.000 -0.234 0.000 0.818 153 A HN 0.282 nan 8.150 nan 0.000 0.443 154 F N -0.023 119.919 119.950 -0.013 0.000 2.216 154 F HA -0.086 4.443 4.527 0.004 0.000 0.300 154 F C 2.377 178.222 175.800 0.075 0.000 1.085 154 F CA 1.315 59.323 58.000 0.012 0.000 1.326 154 F CB -0.540 38.456 39.000 -0.005 0.000 1.027 154 F HN 0.149 nan 8.300 nan 0.000 0.497 155 R N -0.074 120.609 120.500 0.305 0.000 2.299 155 R HA 0.052 4.395 4.340 0.004 0.000 0.197 155 R C 1.075 177.469 176.300 0.158 0.000 0.971 155 R CA 0.523 56.771 56.100 0.247 0.000 1.030 155 R CB -0.157 30.325 30.300 0.304 0.000 0.932 155 R HN 0.283 nan 8.270 nan 0.000 0.477 156 S N -0.642 115.129 115.700 0.118 0.000 2.719 156 S HA 0.118 4.590 4.470 0.004 0.000 0.285 156 S C 0.938 175.582 174.600 0.073 0.000 1.137 156 S CA -0.854 57.389 58.200 0.072 0.000 1.012 156 S CB 1.314 64.532 63.200 0.031 0.000 1.134 156 S HN -0.080 nan 8.310 nan 0.000 0.544 157 Q N -0.141 119.689 119.800 0.050 0.000 2.500 157 Q HA 0.062 4.404 4.340 0.004 0.000 0.213 157 Q C 2.057 178.085 176.000 0.046 0.000 0.974 157 Q CA 1.078 56.908 55.803 0.045 0.000 0.918 157 Q CB -0.891 27.866 28.738 0.031 0.000 0.980 157 Q HN 0.835 nan 8.270 nan 0.000 0.505 158 A N 0.217 123.064 122.820 0.045 0.000 2.119 158 A HA 0.030 4.353 4.320 0.004 0.000 0.217 158 A C 2.229 179.863 177.584 0.082 0.000 1.153 158 A CA 1.154 53.218 52.037 0.044 0.000 0.692 158 A CB -0.601 18.409 19.000 0.017 0.000 0.799 158 A HN 0.411 nan 8.150 nan 0.000 0.458 159 G N -0.035 108.836 108.800 0.119 0.000 2.440 159 G HA2 -0.246 3.716 3.960 0.004 0.000 0.218 159 G HA3 -0.246 3.716 3.960 0.004 0.000 0.218 159 G C 1.340 176.304 174.900 0.107 0.000 1.154 159 G CA 1.275 46.480 45.100 0.175 0.000 0.767 159 G HN 0.533 nan 8.290 nan 0.000 0.552 160 E N 0.086 120.326 120.200 0.067 0.000 2.058 160 E HA -0.075 4.278 4.350 0.004 0.000 0.194 160 E C 2.289 178.915 176.600 0.042 0.000 0.997 160 E CA 1.237 57.662 56.400 0.042 0.000 0.801 160 E CB -0.214 29.505 29.700 0.033 0.000 0.746 160 E HN 0.668 nan 8.360 nan 0.000 0.450 161 E N 0.107 120.335 120.200 0.048 0.000 2.072 161 E HA -0.165 4.187 4.350 0.004 0.000 0.191 161 E C 1.999 178.633 176.600 0.058 0.000 0.985 161 E CA 0.771 57.197 56.400 0.043 0.000 0.801 161 E CB -0.070 29.651 29.700 0.035 0.000 0.750 161 E HN 0.201 nan 8.360 nan 0.000 0.452 162 L N 0.101 121.378 121.223 0.089 0.000 2.046 162 L HA -0.180 4.162 4.340 0.004 0.000 0.208 162 L C 2.311 179.256 176.870 0.124 0.000 1.077 162 L CA 0.879 55.797 54.840 0.130 0.000 0.747 162 L CB -0.132 42.063 42.059 0.227 0.000 0.896 162 L HN 0.127 nan 8.230 nan 0.000 0.432 163 V N -1.115 118.849 119.914 0.083 0.000 2.627 163 V HA -0.067 4.055 4.120 0.004 0.000 0.239 163 V C 2.111 178.195 176.094 -0.015 0.000 1.077 163 V CA 0.559 62.861 62.300 0.003 0.000 1.103 163 V CB -0.084 31.683 31.823 -0.095 0.000 0.802 163 V HN 0.227 nan 8.190 nan 0.000 0.482 164 L N -0.017 121.202 121.223 -0.007 0.000 2.083 164 L HA -0.183 4.159 4.340 0.004 0.000 0.209 164 L C 2.518 179.398 176.870 0.016 0.000 1.083 164 L CA 1.855 56.693 54.840 -0.002 0.000 0.752 164 L CB -0.425 41.638 42.059 0.006 0.000 0.899 164 L HN 0.438 nan 8.230 nan 0.000 0.433 165 Q N -0.355 119.459 119.800 0.024 0.000 2.178 165 Q HA -0.105 4.238 4.340 0.004 0.000 0.195 165 Q C 1.216 177.235 176.000 0.031 0.000 0.960 165 Q CA 0.897 56.716 55.803 0.027 0.000 0.843 165 Q CB 0.477 29.231 28.738 0.027 0.000 0.927 165 Q HN 0.382 nan 8.270 nan 0.000 0.487 166 D N 0.262 120.684 120.400 0.037 0.000 2.350 166 D HA -0.014 4.629 4.640 0.004 0.000 0.213 166 D C 0.036 176.364 176.300 0.047 0.000 1.031 166 D CA 0.201 54.226 54.000 0.041 0.000 0.861 166 D CB 0.012 40.839 40.800 0.045 0.000 0.926 166 D HN 0.206 nan 8.370 nan 0.000 0.520 167 N N 0.076 118.800 118.700 0.041 0.000 2.735 167 N HA -0.180 4.563 4.740 0.004 0.000 0.248 167 N C 0.817 176.363 175.510 0.059 0.000 1.083 167 N CA 0.202 53.272 53.050 0.034 0.000 0.703 167 N CB -1.365 37.151 38.487 0.048 0.000 1.005 167 N HN -0.000 nan 8.380 nan 0.000 0.550 168 V N -0.653 119.314 119.914 0.087 0.000 2.568 168 V HA -0.221 3.901 4.120 0.004 0.000 0.253 168 V C 1.944 178.110 176.094 0.120 0.000 1.072 168 V CA 1.926 64.297 62.300 0.117 0.000 1.084 168 V CB -0.608 31.321 31.823 0.177 0.000 0.676 168 V HN 0.440 nan 8.190 nan 0.000 0.469 169 F N 0.059 119.987 119.950 -0.036 0.000 2.128 169 F HA -0.105 4.424 4.527 0.003 0.000 0.295 169 F C 2.215 177.990 175.800 -0.041 0.000 1.100 169 F CA 1.534 59.492 58.000 -0.070 0.000 1.260 169 F CB -0.234 38.587 39.000 -0.299 0.000 1.009 169 F HN -0.060 nan 8.300 nan 0.000 0.476 170 V N -0.138 119.884 119.914 0.180 0.000 2.307 170 V HA -0.207 3.915 4.120 0.004 0.000 0.245 170 V C 2.211 178.346 176.094 0.069 0.000 1.045 170 V CA 1.917 64.284 62.300 0.112 0.000 1.024 170 V CB -0.467 31.430 31.823 0.122 0.000 0.651 170 V HN 0.226 nan 8.190 nan 0.000 0.449 171 E N -0.720 119.521 120.200 0.068 0.000 2.299 171 E HA -0.127 4.225 4.350 0.004 0.000 0.193 171 E C 1.956 178.578 176.600 0.036 0.000 0.998 171 E CA 0.785 57.215 56.400 0.050 0.000 0.851 171 E CB 0.284 30.015 29.700 0.051 0.000 0.795 171 E HN 0.692 nan 8.360 nan 0.000 0.492 172 Q N -0.154 119.667 119.800 0.036 0.000 2.620 172 Q HA 0.033 4.375 4.340 0.004 0.000 0.232 172 Q C 2.093 178.108 176.000 0.025 0.000 0.836 172 Q CA 0.246 56.065 55.803 0.027 0.000 0.938 172 Q CB 0.578 29.331 28.738 0.024 0.000 1.242 172 Q HN 0.008 nan 8.270 nan 0.000 0.624 173 V N 2.193 122.107 119.914 0.000 0.000 2.343 173 V HA -0.238 3.884 4.120 0.004 0.000 0.247 173 V C 2.390 178.560 176.094 0.126 0.000 1.051 173 V CA 1.656 63.969 62.300 0.022 0.000 1.036 173 V CB -0.658 30.991 31.823 -0.289 0.000 0.654 173 V HN 0.364 nan 8.190 nan 0.000 0.451 174 L N 1.878 123.102 121.223 0.002 0.000 1.961 174 L HA -0.050 4.292 4.340 0.004 0.000 0.210 174 L C 0.051 176.808 176.870 -0.188 0.000 1.072 174 L CA 2.568 57.213 54.840 -0.325 0.000 0.749 174 L CB -1.871 39.934 42.059 -0.424 0.000 0.889 174 L HN 0.261 nan 8.230 nan 0.000 0.432 175 P HA -0.074 nan 4.420 nan 0.000 0.221 175 P C 1.544 178.871 177.300 0.045 0.000 1.150 175 P CA 1.773 64.861 63.100 -0.020 0.000 0.800 175 P CB -0.383 31.317 31.700 -0.000 0.000 0.787 176 G N -0.020 108.821 108.800 0.068 0.000 2.509 176 G HA2 -0.109 3.853 3.960 0.004 0.000 0.218 176 G HA3 -0.109 3.853 3.960 0.004 0.000 0.218 176 G C 1.256 176.241 174.900 0.142 0.000 1.124 176 G CA 0.212 45.367 45.100 0.092 0.000 0.776 176 G HN 0.273 nan 8.290 nan 0.000 0.547 177 L N 0.423 121.788 121.223 0.236 0.000 2.965 177 L HA 0.491 4.834 4.340 0.004 0.000 0.254 177 L C -0.333 176.735 176.870 0.331 0.000 1.220 177 L CA -0.151 54.883 54.840 0.324 0.000 1.023 177 L CB 0.442 42.806 42.059 0.509 0.000 1.355 177 L HN 0.044 nan 8.230 nan 0.000 0.545 178 I N -0.350 120.341 120.570 0.201 0.000 2.436 178 I HA 0.151 4.324 4.170 0.004 0.000 0.289 178 I C 0.914 177.081 176.117 0.083 0.000 1.010 178 I CA -0.522 60.860 61.300 0.138 0.000 1.098 178 I CB 2.460 40.514 38.000 0.090 0.000 1.266 178 I HN 0.070 nan 8.210 nan 0.000 0.434 179 L N 4.656 125.916 121.223 0.060 0.000 2.056 179 L HA -0.043 4.300 4.340 0.004 0.000 0.207 179 L C 1.392 178.283 176.870 0.035 0.000 1.078 179 L CA 1.130 55.995 54.840 0.041 0.000 0.749 179 L CB -0.532 41.542 42.059 0.025 0.000 0.901 179 L HN 0.635 nan 8.230 nan 0.000 0.433 180 R N 0.943 121.463 120.500 0.034 0.000 2.500 180 R HA 0.396 4.739 4.340 0.004 0.000 0.275 180 R C -2.588 173.734 176.300 0.038 0.000 1.051 180 R CA -1.749 54.370 56.100 0.032 0.000 1.088 180 R CB -0.389 29.928 30.300 0.028 0.000 1.063 180 R HN -0.176 nan 8.270 nan 0.000 0.511 181 P HA 0.104 nan 4.420 nan 0.000 0.276 181 P C -0.730 176.598 177.300 0.046 0.000 1.230 181 P CA -0.192 62.931 63.100 0.037 0.000 0.776 181 P CB 0.634 32.353 31.700 0.031 0.000 0.888 182 L N 1.543 122.800 121.223 0.056 0.000 2.399 182 L HA 0.340 4.682 4.340 0.004 0.000 0.266 182 L C 1.185 178.095 176.870 0.066 0.000 1.114 182 L CA -0.551 54.335 54.840 0.076 0.000 0.804 182 L CB 0.870 42.995 42.059 0.109 0.000 1.146 182 L HN 0.458 nan 8.230 nan 0.000 0.451 183 S N -0.046 115.695 115.700 0.069 0.000 2.624 183 S HA 0.052 4.524 4.470 0.004 0.000 0.263 183 S C 0.847 175.478 174.600 0.053 0.000 1.287 183 S CA -0.505 57.727 58.200 0.053 0.000 0.990 183 S CB 1.329 64.559 63.200 0.050 0.000 0.950 183 S HN 0.723 nan 8.310 nan 0.000 0.561 184 E N 0.899 121.121 120.200 0.036 0.000 2.077 184 E HA -0.150 4.202 4.350 0.004 0.000 0.193 184 E C 2.137 178.747 176.600 0.017 0.000 0.989 184 E CA 1.472 57.888 56.400 0.027 0.000 0.800 184 E CB -0.747 28.963 29.700 0.017 0.000 0.746 184 E HN 0.790 nan 8.360 nan 0.000 0.452 185 A N 1.303 124.134 122.820 0.018 0.000 1.902 185 A HA -0.210 4.112 4.320 0.004 0.000 0.217 185 A C 2.040 179.617 177.584 -0.012 0.000 1.181 185 A CA 1.740 53.777 52.037 -0.000 0.000 0.623 185 A CB -0.504 18.510 19.000 0.022 0.000 0.818 185 A HN 0.341 nan 8.150 nan 0.000 0.443 186 E N -1.417 118.821 120.200 0.064 0.000 2.072 186 E HA -0.206 4.146 4.350 0.004 0.000 0.191 186 E C 1.965 178.606 176.600 0.069 0.000 0.985 186 E CA 1.476 57.950 56.400 0.125 0.000 0.801 186 E CB -0.245 29.585 29.700 0.216 0.000 0.750 186 E HN 0.558 nan 8.360 nan 0.000 0.452 187 M N 0.862 120.522 119.600 0.100 0.000 2.229 187 M HA -0.043 4.439 4.480 0.004 0.000 0.264 187 M C 2.041 178.362 176.300 0.035 0.000 1.063 187 M CA 1.320 56.694 55.300 0.123 0.000 1.114 187 M CB -0.183 32.469 32.600 0.087 0.000 1.387 187 M HN 0.090 nan 8.290 nan 0.000 0.420 188 A N -0.486 122.312 122.820 -0.037 0.000 1.933 188 A HA 0.038 4.360 4.320 0.004 0.000 0.218 188 A C 2.323 179.792 177.584 -0.192 0.000 1.175 188 A CA 1.825 53.813 52.037 -0.081 0.000 0.628 188 A CB -1.263 17.689 19.000 -0.079 0.000 0.814 188 A HN 0.583 nan 8.150 nan 0.000 0.444 189 A N -1.608 120.979 122.820 -0.388 0.000 1.930 189 A HA -0.022 4.300 4.320 0.004 0.000 0.217 189 A C 2.036 179.256 177.584 -0.608 0.000 1.175 189 A CA 1.491 53.076 52.037 -0.753 0.000 0.627 189 A CB -0.639 17.272 19.000 -1.815 0.000 0.815 189 A HN 0.561 nan 8.150 nan 0.000 0.443 190 Y N -0.420 119.731 120.300 -0.248 0.000 2.314 190 Y HA 0.024 4.576 4.550 0.003 0.000 0.294 190 Y C 2.532 178.424 175.900 -0.014 0.000 1.119 190 Y CA 1.094 59.137 58.100 -0.095 0.000 1.179 190 Y CB -0.220 38.223 38.460 -0.028 0.000 1.025 190 Y HN 0.219 nan 8.280 nan 0.000 0.541 191 R N -0.121 120.452 120.500 0.121 0.000 2.148 191 R HA -0.121 4.222 4.340 0.004 0.000 0.223 191 R C 2.109 178.417 176.300 0.012 0.000 1.088 191 R CA 0.823 56.992 56.100 0.115 0.000 0.985 191 R CB -0.169 30.174 30.300 0.072 0.000 0.880 191 R HN 0.237 nan 8.270 nan 0.000 0.451 192 E N 1.275 121.420 120.200 -0.093 0.000 2.065 192 E HA -0.186 4.166 4.350 0.004 0.000 0.201 192 E C -0.832 175.641 176.600 -0.211 0.000 1.016 192 E CA 1.759 58.073 56.400 -0.143 0.000 0.818 192 E CB -0.848 28.744 29.700 -0.180 0.000 0.749 192 E HN 0.220 nan 8.360 nan 0.000 0.453 193 P HA -0.052 nan 4.420 nan 0.000 0.230 193 P C 0.230 177.128 177.300 -0.670 0.000 1.158 193 P CA 0.893 63.608 63.100 -0.642 0.000 0.769 193 P CB -0.120 30.953 31.700 -1.044 0.000 0.807 194 F N -2.301 117.645 119.950 -0.007 0.000 2.764 194 F HA 0.294 4.824 4.527 0.004 0.000 0.310 194 F C 1.537 177.336 175.800 -0.002 0.000 1.124 194 F CA -0.499 57.496 58.000 -0.007 0.000 1.252 194 F CB -0.955 38.043 39.000 -0.002 0.000 1.010 194 F HN -0.243 nan 8.300 nan 0.000 0.518 195 L N 0.402 121.681 121.223 0.093 0.000 2.079 195 L HA -0.067 4.275 4.340 0.004 0.000 0.210 195 L C 1.583 178.491 176.870 0.063 0.000 1.081 195 L CA 0.809 55.687 54.840 0.063 0.000 0.752 195 L CB -0.462 41.607 42.059 0.016 0.000 0.896 195 L HN 0.183 nan 8.230 nan 0.000 0.433 196 A N 0.271 123.130 122.820 0.064 0.000 2.366 196 A HA 0.600 4.922 4.320 0.004 0.000 0.272 196 A C 0.359 177.982 177.584 0.064 0.000 1.135 196 A CA -0.257 51.813 52.037 0.054 0.000 0.804 196 A CB 0.296 19.320 19.000 0.041 0.000 1.064 196 A HN 0.210 nan 8.150 nan 0.000 0.499 197 A N 2.159 125.007 122.820 0.047 0.000 2.466 197 A HA 0.617 4.939 4.320 0.004 0.000 0.238 197 A C 1.270 178.878 177.584 0.039 0.000 1.074 197 A CA 0.913 52.975 52.037 0.042 0.000 0.774 197 A CB -0.417 18.602 19.000 0.032 0.000 1.015 197 A HN 2.904 nan 8.150 nan 0.000 0.498 198 G N 0.334 109.154 108.800 0.033 0.000 2.482 198 G HA2 -0.140 3.823 3.960 0.004 0.000 0.214 198 G HA3 -0.140 3.823 3.960 0.004 0.000 0.214 198 G C 0.446 175.367 174.900 0.036 0.000 1.271 198 G CA 0.229 45.347 45.100 0.031 0.000 0.944 198 G HN 0.680 nan 8.290 nan 0.000 0.568 199 E N 0.247 120.474 120.200 0.044 0.000 2.267 199 E HA -0.097 4.255 4.350 0.004 0.000 0.197 199 E C 2.851 179.501 176.600 0.084 0.000 0.998 199 E CA 1.821 58.259 56.400 0.064 0.000 0.830 199 E CB -0.683 29.060 29.700 0.072 0.000 0.751 199 E HN 1.029 nan 8.360 nan 0.000 0.491 200 A N 1.001 123.873 122.820 0.087 0.000 2.024 200 A HA -0.184 4.138 4.320 0.004 0.000 0.220 200 A C 2.031 179.727 177.584 0.187 0.000 1.164 200 A CA 1.312 53.423 52.037 0.123 0.000 0.643 200 A CB -0.315 18.753 19.000 0.114 0.000 0.806 200 A HN 0.127 nan 8.150 nan 0.000 0.451 201 R N -1.666 118.888 120.500 0.090 0.000 2.317 201 R HA 0.102 4.445 4.340 0.004 0.000 0.208 201 R C 1.968 178.129 176.300 -0.231 0.000 0.914 201 R CA 0.371 56.427 56.100 -0.072 0.000 1.060 201 R CB -0.048 30.202 30.300 -0.084 0.000 1.015 201 R HN 0.401 nan 8.270 nan 0.000 0.498 202 R N 1.928 122.343 120.500 -0.142 0.000 2.133 202 R HA -0.105 4.237 4.340 0.004 0.000 0.247 202 R C -1.024 175.072 176.300 -0.341 0.000 1.151 202 R CA 1.681 57.688 56.100 -0.156 0.000 0.971 202 R CB -1.152 29.169 30.300 0.035 0.000 0.866 202 R HN 0.116 nan 8.270 nan 0.000 0.447 203 P HA -0.118 nan 4.420 nan 0.000 0.216 203 P C 0.891 177.936 177.300 -0.426 0.000 1.150 203 P CA 2.217 64.917 63.100 -0.667 0.000 0.837 203 P CB -0.297 31.058 31.700 -0.574 0.000 0.786 204 T N -3.782 110.470 114.554 -0.503 0.000 3.113 204 T HA -0.040 4.312 4.350 0.004 0.000 0.263 204 T C 1.475 175.899 174.700 -0.461 0.000 1.143 204 T CA 0.505 62.274 62.100 -0.551 0.000 1.090 204 T CB -0.669 67.736 68.868 -0.771 0.000 0.922 204 T HN -0.051 nan 8.240 nan 0.000 0.521 205 L N 0.424 121.455 121.223 -0.321 0.000 2.388 205 L HA 0.459 4.801 4.340 0.004 0.000 0.209 205 L C 2.419 179.219 176.870 -0.117 0.000 1.061 205 L CA 0.917 55.628 54.840 -0.215 0.000 0.834 205 L CB -0.463 41.513 42.059 -0.138 0.000 1.029 205 L HN 0.124 nan 8.230 nan 0.000 0.473 206 S N -0.795 114.809 115.700 -0.161 0.000 2.402 206 S HA -0.172 4.300 4.470 0.004 0.000 0.229 206 S C 1.598 176.119 174.600 -0.132 0.000 1.021 206 S CA 1.581 59.693 58.200 -0.147 0.000 0.974 206 S CB -0.532 62.545 63.200 -0.205 0.000 0.800 206 S HN 0.584 nan 8.310 nan 0.000 0.484 207 W N 2.323 123.489 121.300 -0.223 0.000 2.354 207 W HA -0.097 4.566 4.660 0.005 0.000 0.315 207 W C -0.612 175.943 176.519 0.059 0.000 1.206 207 W CA 0.619 57.763 57.345 -0.336 0.000 1.290 207 W CB -1.236 27.972 29.460 -0.420 0.000 1.152 207 W HN 0.251 nan 8.180 nan 0.000 0.489 208 P HA -0.138 nan 4.420 nan 0.000 0.220 208 P C 0.759 178.365 177.300 0.510 0.000 1.148 208 P CA 1.563 65.057 63.100 0.656 0.000 0.803 208 P CB -0.206 31.897 31.700 0.671 0.000 0.782 209 R N -0.545 120.151 120.500 0.326 0.000 2.316 209 R HA 0.007 4.349 4.340 0.004 0.000 0.202 209 R C 2.113 178.559 176.300 0.243 0.000 1.029 209 R CA 0.678 56.929 56.100 0.252 0.000 1.018 209 R CB -0.145 30.246 30.300 0.152 0.000 0.888 209 R HN 0.245 nan 8.270 nan 0.000 0.471 210 Q N 0.048 120.032 119.800 0.306 0.000 2.396 210 Q HA 0.148 4.491 4.340 0.004 0.000 0.209 210 Q C 0.477 176.834 176.000 0.596 0.000 0.906 210 Q CA 0.191 56.184 55.803 0.318 0.000 0.927 210 Q CB 0.534 29.318 28.738 0.077 0.000 1.069 210 Q HN 0.319 nan 8.270 nan 0.000 0.523 211 I N 5.152 126.160 120.570 0.730 0.000 2.741 211 I HA -0.059 4.113 4.170 0.004 0.000 0.288 211 I C -1.844 174.405 176.117 0.220 0.000 1.192 211 I CA -0.983 60.634 61.300 0.528 0.000 1.426 211 I CB 0.237 38.438 38.000 0.335 0.000 1.367 211 I HN -0.138 nan 8.210 nan 0.000 0.563 212 P HA 0.278 nan 4.420 nan 0.000 0.268 212 P C -0.679 176.560 177.300 -0.101 0.000 1.541 212 P CA 0.282 63.390 63.100 0.014 0.000 1.093 212 P CB -0.022 31.674 31.700 -0.006 0.000 1.551 213 I N 1.836 122.306 120.570 -0.166 0.000 2.465 213 I HA 0.442 4.614 4.170 0.004 0.000 0.291 213 I C 0.667 176.634 176.117 -0.250 0.000 1.014 213 I CA -1.126 59.956 61.300 -0.364 0.000 1.093 213 I CB 1.940 39.429 38.000 -0.851 0.000 1.267 213 I HN 0.235 nan 8.210 nan 0.000 0.431 214 A N 4.581 127.278 122.820 -0.205 0.000 2.783 214 A HA -0.105 4.217 4.320 0.004 0.000 0.292 214 A C 1.442 179.014 177.584 -0.021 0.000 1.495 214 A CA 1.082 53.081 52.037 -0.064 0.000 0.787 214 A CB -1.932 17.090 19.000 0.037 0.000 1.017 214 A HN 1.983 nan 8.150 nan 0.000 0.516 215 G N -3.410 105.365 108.800 -0.041 0.000 2.184 215 G HA2 -0.011 3.951 3.960 0.004 0.000 0.264 215 G HA3 -0.011 3.951 3.960 0.004 0.000 0.264 215 G C 0.340 175.241 174.900 0.003 0.000 0.975 215 G CA 1.019 46.108 45.100 -0.019 0.000 0.642 215 G HN 2.122 nan 8.290 nan 0.000 0.536 216 T N 2.069 116.631 114.554 0.013 0.000 2.886 216 T HA 0.625 4.978 4.350 0.004 0.000 0.292 216 T C -2.876 171.860 174.700 0.060 0.000 1.012 216 T CA -1.022 61.105 62.100 0.045 0.000 0.982 216 T CB 3.407 72.319 68.868 0.073 0.000 1.018 216 T HN 0.109 nan 8.240 nan 0.000 0.451 217 P HA 0.283 nan 4.420 nan 0.000 0.276 217 P C 0.636 177.964 177.300 0.047 0.000 1.230 217 P CA -0.322 62.821 63.100 0.072 0.000 0.776 217 P CB 0.958 32.712 31.700 0.090 0.000 0.888 218 A N 4.452 127.292 122.820 0.034 0.000 1.948 218 A HA -0.248 4.074 4.320 0.004 0.000 0.220 218 A C 1.806 179.397 177.584 0.012 0.000 1.177 218 A CA 2.264 54.311 52.037 0.017 0.000 0.636 218 A CB -1.214 17.795 19.000 0.016 0.000 0.815 218 A HN 0.648 nan 8.150 nan 0.000 0.449 219 D N 0.042 120.459 120.400 0.027 0.000 2.097 219 D HA -0.119 4.523 4.640 0.004 0.000 0.197 219 D C 1.752 178.057 176.300 0.008 0.000 0.984 219 D CA 1.787 55.803 54.000 0.027 0.000 0.826 219 D CB -1.102 39.729 40.800 0.051 0.000 0.973 219 D HN 0.263 nan 8.370 nan 0.000 0.460 220 V N 0.759 120.683 119.914 0.016 0.000 2.515 220 V HA -0.166 3.956 4.120 0.004 0.000 0.250 220 V C 2.921 178.978 176.094 -0.063 0.000 1.058 220 V CA 1.001 63.280 62.300 -0.036 0.000 1.064 220 V CB -0.306 31.560 31.823 0.072 0.000 0.675 220 V HN 0.100 nan 8.190 nan 0.000 0.461 221 V N 0.628 120.522 119.914 -0.034 0.000 2.332 221 V HA -0.286 3.836 4.120 0.004 0.000 0.248 221 V C 2.745 178.776 176.094 -0.104 0.000 1.055 221 V CA 2.152 64.410 62.300 -0.069 0.000 1.038 221 V CB -1.122 30.673 31.823 -0.046 0.000 0.651 221 V HN 0.567 nan 8.190 nan 0.000 0.450 222 A N -0.263 122.514 122.820 -0.073 0.000 1.902 222 A HA -0.169 4.154 4.320 0.004 0.000 0.217 222 A C 2.180 179.701 177.584 -0.105 0.000 1.181 222 A CA 1.890 53.884 52.037 -0.072 0.000 0.623 222 A CB -0.524 18.455 19.000 -0.035 0.000 0.818 222 A HN 0.514 nan 8.150 nan 0.000 0.443 223 I N -0.336 120.165 120.570 -0.114 0.000 2.179 223 I HA -0.273 3.899 4.170 0.004 0.000 0.242 223 I C 2.964 178.861 176.117 -0.366 0.000 1.088 223 I CA 1.102 62.328 61.300 -0.123 0.000 1.357 223 I CB -0.295 37.645 38.000 -0.100 0.000 1.051 223 I HN 0.355 nan 8.210 nan 0.000 0.409 224 A N 0.671 123.157 122.820 -0.557 0.000 1.930 224 A HA -0.237 4.085 4.320 0.004 0.000 0.217 224 A C 2.414 179.564 177.584 -0.722 0.000 1.175 224 A CA 1.692 53.044 52.037 -1.142 0.000 0.627 224 A CB -0.644 18.031 19.000 -0.542 0.000 0.815 224 A HN 0.372 nan 8.150 nan 0.000 0.443 225 R N -0.263 120.026 120.500 -0.352 0.000 2.091 225 R HA -0.193 4.150 4.340 0.004 0.000 0.238 225 R C 1.367 177.586 176.300 -0.135 0.000 1.136 225 R CA 2.009 57.987 56.100 -0.203 0.000 0.959 225 R CB -0.362 29.856 30.300 -0.136 0.000 0.856 225 R HN 0.427 nan 8.270 nan 0.000 0.437 226 D N -0.274 120.051 120.400 -0.126 0.000 2.097 226 D HA -0.178 4.464 4.640 0.004 0.000 0.195 226 D C 1.795 178.167 176.300 0.119 0.000 0.989 226 D CA 1.620 55.616 54.000 -0.006 0.000 0.827 226 D CB -0.487 40.316 40.800 0.005 0.000 0.966 226 D HN 0.500 nan 8.370 nan 0.000 0.456 227 Y N 0.090 120.465 120.300 0.125 0.000 2.373 227 Y HA 0.319 4.872 4.550 0.005 0.000 0.293 227 Y C 2.101 178.060 175.900 0.098 0.000 1.129 227 Y CA 0.372 58.592 58.100 0.201 0.000 1.226 227 Y CB -0.994 37.623 38.460 0.263 0.000 1.000 227 Y HN -0.078 nan 8.280 nan 0.000 0.549 228 A N 1.607 124.569 122.820 0.237 0.000 1.873 228 A HA 0.012 4.334 4.320 0.004 0.000 0.215 228 A C 2.544 180.233 177.584 0.175 0.000 1.186 228 A CA 1.685 53.882 52.037 0.266 0.000 0.616 228 A CB -1.570 17.554 19.000 0.207 0.000 0.823 228 A HN 0.573 nan 8.150 nan 0.000 0.442 229 G N -1.598 107.270 108.800 0.114 0.000 2.422 229 G HA2 -0.280 3.683 3.960 0.004 0.000 0.218 229 G HA3 -0.280 3.683 3.960 0.004 0.000 0.218 229 G C 1.397 176.315 174.900 0.030 0.000 1.146 229 G CA 1.155 46.304 45.100 0.082 0.000 0.769 229 G HN 0.708 nan 8.290 nan 0.000 0.547 230 W N 1.119 122.357 121.300 -0.103 0.000 2.379 230 W HA 0.102 4.765 4.660 0.003 0.000 0.307 230 W C 2.266 178.604 176.519 -0.302 0.000 1.200 230 W CA 1.005 58.260 57.345 -0.150 0.000 1.297 230 W CB -0.467 28.937 29.460 -0.094 0.000 1.140 230 W HN 0.110 nan 8.180 nan 0.000 0.507 231 L N 1.145 121.855 121.223 -0.856 0.000 2.042 231 L HA -0.265 4.077 4.340 0.004 0.000 0.210 231 L C 2.865 178.880 176.870 -1.427 0.000 1.076 231 L CA 1.943 55.879 54.840 -1.507 0.000 0.749 231 L CB -1.227 39.653 42.059 -1.965 0.000 0.893 231 L HN 0.167 nan 8.230 nan 0.000 0.432 232 S N -1.097 113.944 115.700 -1.098 0.000 2.469 232 S HA -0.182 4.290 4.470 0.004 0.000 0.238 232 S C 1.476 175.830 174.600 -0.411 0.000 0.998 232 S CA 1.248 59.024 58.200 -0.707 0.000 0.957 232 S CB -0.193 62.915 63.200 -0.153 0.000 0.764 232 S HN 0.550 nan 8.310 nan 0.000 0.514 233 E N 0.473 120.400 120.200 -0.455 0.000 2.562 233 E HA 0.229 4.582 4.350 0.004 0.000 0.214 233 E C -0.108 176.267 176.600 -0.375 0.000 0.979 233 E CA -0.209 56.006 56.400 -0.308 0.000 1.002 233 E CB 0.897 30.487 29.700 -0.183 0.000 1.048 233 E HN 0.409 nan 8.360 nan 0.000 0.488 234 S N 2.196 117.514 115.700 -0.637 0.000 2.528 234 S HA 0.121 4.593 4.470 0.004 0.000 0.277 234 S C -1.633 172.762 174.600 -0.342 0.000 1.297 234 S CA -1.442 56.397 58.200 -0.602 0.000 1.052 234 S CB 0.792 63.303 63.200 -1.147 0.000 0.917 234 S HN -0.032 nan 8.310 nan 0.000 0.492 235 P HA 0.116 nan 4.420 nan 0.000 0.245 235 P C 0.202 177.468 177.300 -0.057 0.000 1.212 235 P CA 0.133 63.177 63.100 -0.094 0.000 0.774 235 P CB -0.099 31.572 31.700 -0.049 0.000 0.999 236 I N 2.209 122.733 120.570 -0.077 0.000 2.683 236 I HA 0.019 4.192 4.170 0.004 0.000 0.286 236 I C -1.902 174.244 176.117 0.048 0.000 1.175 236 I CA -1.901 59.401 61.300 0.004 0.000 1.429 236 I CB -0.211 37.809 38.000 0.033 0.000 1.371 236 I HN -0.186 nan 8.210 nan 0.000 0.569 237 P HA 0.057 nan 4.420 nan 0.000 0.265 237 P C -1.208 176.320 177.300 0.380 0.000 1.193 237 P CA 0.236 63.474 63.100 0.229 0.000 0.765 237 P CB 0.419 32.238 31.700 0.197 0.000 0.823 238 K N 2.091 122.680 120.400 0.315 0.000 2.435 238 K HA 0.668 4.991 4.320 0.004 0.000 0.251 238 K C -1.325 175.200 176.600 -0.124 0.000 0.954 238 K CA -1.009 55.410 56.287 0.220 0.000 0.820 238 K CB 1.960 34.635 32.500 0.292 0.000 1.292 238 K HN 0.188 nan 8.250 nan 0.000 0.436 239 L N 2.899 123.876 121.223 -0.410 0.000 2.372 239 L HA 0.437 4.779 4.340 0.004 0.000 0.273 239 L C -1.634 175.007 176.870 -0.381 0.000 0.989 239 L CA -0.538 53.937 54.840 -0.608 0.000 0.841 239 L CB 0.920 42.271 42.059 -1.180 0.000 1.225 239 L HN 0.561 nan 8.230 nan 0.000 0.414 240 F N 6.902 126.526 119.950 -0.544 0.000 2.350 240 F HA 0.522 5.052 4.527 0.005 0.000 0.365 240 F C -0.404 175.071 175.800 -0.542 0.000 1.122 240 F CA -1.478 56.001 58.000 -0.868 0.000 1.139 240 F CB 0.451 39.077 39.000 -0.624 0.000 1.220 240 F HN 0.363 nan 8.300 nan 0.000 0.499 241 I N 6.250 126.500 120.570 -0.534 0.000 2.256 241 I HA 0.092 4.264 4.170 0.004 0.000 0.294 241 I C 0.171 175.892 176.117 -0.661 0.000 1.127 241 I CA -0.454 60.544 61.300 -0.503 0.000 1.247 241 I CB -0.082 37.767 38.000 -0.253 0.000 1.460 241 I HN 0.521 nan 8.210 nan 0.000 0.511 242 N N 4.798 122.846 118.700 -1.088 0.000 2.467 242 N HA 0.572 5.315 4.740 0.004 0.000 0.262 242 N C -0.712 174.554 175.510 -0.407 0.000 1.234 242 N CA -0.108 52.370 53.050 -0.953 0.000 0.952 242 N CB 1.121 38.958 38.487 -1.084 0.000 1.158 242 N HN 0.639 nan 8.380 nan 0.000 0.463 243 A N 1.125 123.805 122.820 -0.234 0.000 2.498 243 A HA 0.622 4.945 4.320 0.004 0.000 0.298 243 A C -1.249 176.274 177.584 -0.101 0.000 1.075 243 A CA -0.511 51.438 52.037 -0.146 0.000 0.714 243 A CB 1.444 20.383 19.000 -0.102 0.000 1.299 243 A HN 0.629 nan 8.150 nan 0.000 0.407 244 E N 1.325 121.475 120.200 -0.084 0.000 2.241 244 E HA 0.509 4.862 4.350 0.004 0.000 0.263 244 E C -2.176 174.398 176.600 -0.043 0.000 0.882 244 E CA -1.972 54.392 56.400 -0.060 0.000 0.769 244 E CB 2.173 31.835 29.700 -0.063 0.000 1.185 244 E HN 0.286 nan 8.360 nan 0.000 0.415 245 P HA 0.068 nan 4.420 nan 0.000 0.233 245 P C 0.534 177.815 177.300 -0.031 0.000 1.167 245 P CA 1.009 64.092 63.100 -0.028 0.000 0.770 245 P CB 0.291 31.980 31.700 -0.019 0.000 0.837 246 G N -0.051 108.730 108.800 -0.031 0.000 2.697 246 G HA2 -0.026 3.936 3.960 0.004 0.000 0.240 246 G HA3 -0.026 3.936 3.960 0.004 0.000 0.240 246 G C 0.402 175.284 174.900 -0.030 0.000 1.346 246 G CA 0.121 45.205 45.100 -0.027 0.000 0.887 246 G HN 0.545 nan 8.290 nan 0.000 0.569 247 A N -3.187 119.609 122.820 -0.040 0.000 1.687 247 A HA 0.631 4.954 4.320 0.004 0.000 0.158 247 A C 1.866 179.335 177.584 -0.193 0.000 1.516 247 A CA 1.463 53.431 52.037 -0.113 0.000 1.427 247 A CB -0.511 18.421 19.000 -0.113 0.000 1.263 247 A HN 1.892 nan 8.150 nan 0.000 0.837 248 L N 0.984 122.106 121.223 -0.167 0.000 2.127 248 L HA 0.231 4.573 4.340 0.004 0.000 0.203 248 L C 0.728 177.541 176.870 -0.096 0.000 1.080 248 L CA 2.310 57.017 54.840 -0.221 0.000 0.768 248 L CB -0.285 41.647 42.059 -0.212 0.000 0.924 248 L HN 0.298 nan 8.230 nan 0.000 0.444 249 T N 1.496 116.046 114.554 -0.006 0.000 3.766 249 T HA 0.358 4.710 4.350 0.004 0.000 0.327 249 T C 0.097 174.831 174.700 0.057 0.000 1.595 249 T CA 0.291 62.419 62.100 0.047 0.000 1.204 249 T CB -0.847 68.115 68.868 0.155 0.000 1.245 249 T HN 0.546 nan 8.240 nan 0.000 0.875 250 T N -1.896 112.660 114.554 0.002 0.000 2.762 250 T HA 0.801 5.153 4.350 0.004 0.000 0.288 250 T C 0.886 175.582 174.700 -0.008 0.000 1.079 250 T CA -0.229 61.873 62.100 0.002 0.000 1.016 250 T CB 1.446 70.299 68.868 -0.025 0.000 1.322 250 T HN 0.472 nan 8.240 nan 0.000 0.525 251 G N 1.114 109.911 108.800 -0.004 0.000 2.652 251 G HA2 -0.354 3.608 3.960 0.004 0.000 0.318 251 G HA3 -0.354 3.608 3.960 0.004 0.000 0.318 251 G C 0.998 175.897 174.900 -0.001 0.000 1.295 251 G CA 0.971 46.069 45.100 -0.003 0.000 0.999 251 G HN 0.942 nan 8.290 nan 0.000 0.548 252 R N -0.644 119.856 120.500 -0.001 0.000 2.096 252 R HA -0.105 4.237 4.340 0.004 0.000 0.240 252 R C 2.852 179.163 176.300 0.019 0.000 1.139 252 R CA 2.073 58.175 56.100 0.004 0.000 0.952 252 R CB -0.456 29.838 30.300 -0.010 0.000 0.854 252 R HN 0.625 nan 8.270 nan 0.000 0.436 253 M N 0.124 119.728 119.600 0.007 0.000 2.159 253 M HA -0.207 4.275 4.480 0.004 0.000 0.263 253 M C 2.349 178.620 176.300 -0.049 0.000 1.063 253 M CA 1.579 56.894 55.300 0.025 0.000 1.110 253 M CB -0.116 32.488 32.600 0.007 0.000 1.374 253 M HN -0.011 nan 8.290 nan 0.000 0.411 254 R N 0.179 120.646 120.500 -0.054 0.000 2.075 254 R HA -0.164 4.178 4.340 0.004 0.000 0.232 254 R C 1.477 177.699 176.300 -0.130 0.000 1.126 254 R CA 2.140 58.184 56.100 -0.093 0.000 0.963 254 R CB -0.244 30.085 30.300 0.050 0.000 0.858 254 R HN 0.378 nan 8.270 nan 0.000 0.435 255 D N 0.061 120.433 120.400 -0.046 0.000 2.123 255 D HA -0.201 4.442 4.640 0.004 0.000 0.196 255 D C 1.560 177.829 176.300 -0.052 0.000 0.992 255 D CA 1.118 55.099 54.000 -0.032 0.000 0.833 255 D CB -0.350 40.458 40.800 0.013 0.000 0.954 255 D HN 0.210 nan 8.370 nan 0.000 0.455 256 F N 1.551 121.387 119.950 -0.190 0.000 2.102 256 F HA -0.201 4.329 4.527 0.005 0.000 0.298 256 F C 2.249 177.738 175.800 -0.519 0.000 1.105 256 F CA 0.819 58.701 58.000 -0.196 0.000 1.239 256 F CB -0.597 38.345 39.000 -0.097 0.000 0.991 256 F HN -0.020 nan 8.300 nan 0.000 0.474 257 C N 0.817 119.487 119.300 -1.051 0.000 2.411 257 C HA -0.150 4.312 4.460 0.004 0.000 0.279 257 C C 2.718 176.998 174.990 -1.184 0.000 1.288 257 C CA 0.966 58.841 59.018 -1.905 0.000 1.764 257 C CB -1.455 25.289 27.740 -1.660 0.000 1.974 257 C HN 0.406 nan 8.230 nan 0.000 0.498 258 R N 0.595 120.729 120.500 -0.611 0.000 2.285 258 R HA -0.088 4.254 4.340 0.004 0.000 0.213 258 R C 2.036 178.217 176.300 -0.197 0.000 1.068 258 R CA 1.625 57.560 56.100 -0.274 0.000 1.004 258 R CB -0.328 29.909 30.300 -0.105 0.000 0.873 258 R HN 0.784 nan 8.270 nan 0.000 0.467 259 T N -3.050 111.350 114.554 -0.257 0.000 3.081 259 T HA 0.012 4.364 4.350 0.004 0.000 0.250 259 T C 0.297 175.008 174.700 0.018 0.000 1.100 259 T CA -0.432 61.619 62.100 -0.082 0.000 1.038 259 T CB 0.048 68.908 68.868 -0.014 0.000 0.962 259 T HN 0.025 nan 8.240 nan 0.000 0.516 260 W N 3.972 125.077 121.300 -0.325 0.000 2.210 260 W HA 0.385 5.047 4.660 0.003 0.000 0.330 260 W C -2.263 174.141 176.519 -0.191 0.000 1.334 260 W CA -3.015 54.137 57.345 -0.321 0.000 1.227 260 W CB -0.303 28.921 29.460 -0.394 0.000 1.178 260 W HN 0.111 nan 8.180 nan 0.000 0.560 261 P HA 0.008 nan 4.420 nan 0.000 0.276 261 P C 0.096 177.404 177.300 0.013 0.000 1.244 261 P CA -0.291 62.806 63.100 -0.005 0.000 0.801 261 P CB 0.682 32.348 31.700 -0.057 0.000 1.006 262 N N -0.585 118.130 118.700 0.024 0.000 2.725 262 N HA -0.219 4.523 4.740 0.004 0.000 0.251 262 N C -0.615 174.948 175.510 0.088 0.000 1.031 262 N CA 0.916 53.995 53.050 0.047 0.000 0.720 262 N CB -1.256 37.251 38.487 0.034 0.000 0.930 262 N HN 0.680 nan 8.380 nan 0.000 0.543 263 Q N -0.174 119.676 119.800 0.084 0.000 2.365 263 Q HA 0.582 4.925 4.340 0.004 0.000 0.269 263 Q C -0.973 175.060 176.000 0.056 0.000 1.061 263 Q CA -0.573 55.287 55.803 0.096 0.000 0.816 263 Q CB 1.294 30.111 28.738 0.131 0.000 1.325 263 Q HN 0.247 nan 8.270 nan 0.000 0.446 264 T N 2.440 117.002 114.554 0.014 0.000 2.918 264 T HA 0.452 4.804 4.350 0.004 0.000 0.286 264 T C -1.228 173.428 174.700 -0.073 0.000 1.026 264 T CA -0.629 61.457 62.100 -0.023 0.000 1.031 264 T CB 1.485 70.336 68.868 -0.028 0.000 1.046 264 T HN 0.621 nan 8.240 nan 0.000 0.479 265 E N 1.866 122.013 120.200 -0.088 0.000 2.340 265 E HA 0.691 5.044 4.350 0.004 0.000 0.273 265 E C -1.394 175.079 176.600 -0.212 0.000 0.891 265 E CA -0.896 55.402 56.400 -0.171 0.000 0.757 265 E CB 1.567 31.198 29.700 -0.115 0.000 1.231 265 E HN 0.701 nan 8.360 nan 0.000 0.439 266 I N -1.057 119.326 120.570 -0.312 0.000 2.994 266 I HA 0.602 4.774 4.170 0.004 0.000 0.306 266 I C -1.173 174.741 176.117 -0.339 0.000 1.195 266 I CA -0.682 60.465 61.300 -0.255 0.000 1.001 266 I CB 2.608 40.489 38.000 -0.199 0.000 1.244 266 I HN 0.289 nan 8.210 nan 0.000 0.437 267 T N 3.667 118.069 114.554 -0.254 0.000 2.824 267 T HA 0.662 5.014 4.350 0.004 0.000 0.282 267 T C -0.364 174.227 174.700 -0.181 0.000 0.993 267 T CA -0.565 61.383 62.100 -0.253 0.000 0.967 267 T CB 1.747 70.492 68.868 -0.204 0.000 0.960 267 T HN 0.725 nan 8.240 nan 0.000 0.441 268 V N 0.094 119.903 119.914 -0.175 0.000 3.046 268 V HA 1.010 5.132 4.120 0.004 0.000 0.316 268 V C 0.003 176.035 176.094 -0.104 0.000 1.104 268 V CA -1.613 60.610 62.300 -0.127 0.000 1.006 268 V CB 1.357 33.105 31.823 -0.125 0.000 1.058 268 V HN 1.023 nan 8.190 nan 0.000 0.440 269 A N 1.032 123.806 122.820 -0.077 0.000 2.409 269 A HA 0.874 5.196 4.320 0.004 0.000 0.262 269 A C 0.653 178.206 177.584 -0.052 0.000 1.113 269 A CA 0.564 52.567 52.037 -0.057 0.000 0.790 269 A CB -0.286 18.689 19.000 -0.041 0.000 1.046 269 A HN 2.620 nan 8.150 nan 0.000 0.496 270 G N -0.780 107.995 108.800 -0.042 0.000 2.339 270 G HA2 0.618 4.581 3.960 0.004 0.000 0.302 270 G HA3 0.618 4.581 3.960 0.004 0.000 0.302 270 G C -0.202 174.687 174.900 -0.018 0.000 1.425 270 G CA 0.013 45.096 45.100 -0.029 0.000 0.899 270 G HN 1.492 nan 8.290 nan 0.000 0.619 271 A N -0.456 122.370 122.820 0.011 0.000 2.930 271 A HA 0.611 4.933 4.320 0.004 0.000 0.213 271 A C 1.525 179.125 177.584 0.027 0.000 2.276 271 A CA 1.713 53.766 52.037 0.027 0.000 1.182 271 A CB -0.485 18.557 19.000 0.071 0.000 1.301 271 A HN 1.300 nan 8.150 nan 0.000 0.481 272 H N -1.820 117.203 119.070 -0.078 0.000 2.430 272 H HA 0.331 4.890 4.556 0.005 0.000 0.297 272 H C -0.288 174.861 175.328 -0.297 0.000 1.016 272 H CA 0.322 56.219 56.048 -0.251 0.000 1.294 272 H CB 0.081 29.557 29.762 -0.477 0.000 1.465 272 H HN 0.311 nan 8.280 nan 0.000 0.547 273 F N 2.806 122.750 119.950 -0.010 0.000 2.660 273 F HA 0.166 4.695 4.527 0.003 0.000 0.342 273 F C 1.560 177.231 175.800 -0.215 0.000 1.195 273 F CA -0.292 57.602 58.000 -0.177 0.000 1.300 273 F CB -0.370 38.585 39.000 -0.076 0.000 1.616 273 F HN 0.283 nan 8.300 nan 0.000 0.592 274 I N -2.030 118.431 120.570 -0.181 0.000 2.657 274 I HA -0.276 3.897 4.170 0.004 0.000 0.261 274 I C 1.548 177.581 176.117 -0.139 0.000 1.212 274 I CA 1.363 62.583 61.300 -0.135 0.000 1.453 274 I CB -0.192 37.721 38.000 -0.145 0.000 1.092 274 I HN 0.253 nan 8.210 nan 0.000 0.452 275 Q N 1.293 120.961 119.800 -0.219 0.000 2.291 275 Q HA -0.097 4.246 4.340 0.004 0.000 0.205 275 Q C 1.867 177.808 176.000 -0.099 0.000 0.970 275 Q CA 1.170 56.859 55.803 -0.190 0.000 0.876 275 Q CB -0.180 28.345 28.738 -0.355 0.000 0.935 275 Q HN 0.571 nan 8.270 nan 0.000 0.455 276 E N -0.035 120.136 120.200 -0.049 0.000 2.442 276 E HA -0.049 4.303 4.350 0.004 0.000 0.195 276 E C 0.569 177.171 176.600 0.003 0.000 1.030 276 E CA 0.494 56.896 56.400 0.003 0.000 0.869 276 E CB 0.338 30.071 29.700 0.055 0.000 0.857 276 E HN 0.414 nan 8.360 nan 0.000 0.505 277 D N -0.326 120.067 120.400 -0.013 0.000 2.394 277 D HA 0.075 4.718 4.640 0.004 0.000 0.226 277 D C 0.265 176.550 176.300 -0.025 0.000 0.990 277 D CA 0.490 54.484 54.000 -0.011 0.000 0.902 277 D CB 0.534 41.329 40.800 -0.009 0.000 1.038 277 D HN -0.133 nan 8.370 nan 0.000 0.499 278 S N 1.641 117.314 115.700 -0.044 0.000 2.474 278 S HA 0.169 4.642 4.470 0.004 0.000 0.224 278 S C -1.863 172.698 174.600 -0.065 0.000 1.209 278 S CA -0.813 57.355 58.200 -0.053 0.000 1.212 278 S CB 1.762 64.922 63.200 -0.067 0.000 1.137 278 S HN 0.110 nan 8.310 nan 0.000 0.446 279 P HA -0.124 nan 4.420 nan 0.000 0.215 279 P C 0.558 177.791 177.300 -0.112 0.000 1.153 279 P CA 1.314 64.381 63.100 -0.055 0.000 0.853 279 P CB 0.189 31.875 31.700 -0.024 0.000 0.788 280 D N -0.004 120.352 120.400 -0.074 0.000 2.183 280 D HA -0.106 4.537 4.640 0.004 0.000 0.203 280 D C 1.901 178.045 176.300 -0.261 0.000 0.969 280 D CA 0.986 54.899 54.000 -0.146 0.000 0.842 280 D CB -0.286 40.564 40.800 0.083 0.000 0.957 280 D HN 0.230 nan 8.370 nan 0.000 0.484 281 E N 0.424 120.536 120.200 -0.147 0.000 2.107 281 E HA -0.021 4.331 4.350 0.004 0.000 0.191 281 E C 2.224 178.725 176.600 -0.165 0.000 0.982 281 E CA 0.293 56.614 56.400 -0.132 0.000 0.809 281 E CB -0.073 29.570 29.700 -0.095 0.000 0.756 281 E HN 0.309 nan 8.360 nan 0.000 0.459 282 I N 0.313 120.785 120.570 -0.163 0.000 2.202 282 I HA -0.166 4.006 4.170 0.004 0.000 0.242 282 I C 2.376 178.404 176.117 -0.149 0.000 1.091 282 I CA 1.299 62.527 61.300 -0.121 0.000 1.368 282 I CB -0.577 37.392 38.000 -0.052 0.000 1.058 282 I HN 0.201 nan 8.210 nan 0.000 0.410 283 G N 0.477 109.087 108.800 -0.316 0.000 2.421 283 G HA2 -0.258 3.705 3.960 0.004 0.000 0.216 283 G HA3 -0.258 3.705 3.960 0.004 0.000 0.216 283 G C 1.865 176.577 174.900 -0.313 0.000 1.171 283 G CA 0.861 45.720 45.100 -0.401 0.000 0.775 283 G HN 0.487 nan 8.290 nan 0.000 0.543 284 A N 1.143 123.700 122.820 -0.438 0.000 1.908 284 A HA 0.217 4.539 4.320 0.004 0.000 0.218 284 A C 2.806 180.383 177.584 -0.012 0.000 1.181 284 A CA 2.409 54.407 52.037 -0.065 0.000 0.627 284 A CB -0.771 18.211 19.000 -0.030 0.000 0.818 284 A HN 0.820 nan 8.150 nan 0.000 0.445 285 A N -0.393 122.395 122.820 -0.053 0.000 1.930 285 A HA 0.002 4.324 4.320 0.004 0.000 0.217 285 A C 2.106 179.710 177.584 0.035 0.000 1.175 285 A CA 1.370 53.392 52.037 -0.025 0.000 0.627 285 A CB -0.532 18.418 19.000 -0.083 0.000 0.815 285 A HN 0.483 nan 8.150 nan 0.000 0.443 286 I N -0.214 120.378 120.570 0.036 0.000 2.179 286 I HA -0.273 3.899 4.170 0.004 0.000 0.242 286 I C 2.979 179.198 176.117 0.170 0.000 1.088 286 I CA 1.037 62.408 61.300 0.119 0.000 1.357 286 I CB -0.283 37.778 38.000 0.101 0.000 1.051 286 I HN 0.350 nan 8.210 nan 0.000 0.409 287 A N 0.701 123.600 122.820 0.131 0.000 1.883 287 A HA -0.222 4.101 4.320 0.004 0.000 0.217 287 A C 2.536 180.184 177.584 0.108 0.000 1.186 287 A CA 2.045 54.157 52.037 0.125 0.000 0.624 287 A CB -0.973 18.113 19.000 0.143 0.000 0.822 287 A HN 0.439 nan 8.150 nan 0.000 0.444 288 A N -1.227 121.659 122.820 0.109 0.000 1.902 288 A HA -0.057 4.265 4.320 0.004 0.000 0.217 288 A C 2.049 179.720 177.584 0.145 0.000 1.181 288 A CA 1.715 53.812 52.037 0.100 0.000 0.623 288 A CB -0.741 18.306 19.000 0.079 0.000 0.818 288 A HN 0.711 nan 8.150 nan 0.000 0.443 289 F N 0.911 120.859 119.950 -0.003 0.000 2.095 289 F HA -0.158 4.371 4.527 0.002 0.000 0.298 289 F C 2.222 178.020 175.800 -0.004 0.000 1.104 289 F CA 1.953 59.950 58.000 -0.004 0.000 1.232 289 F CB -0.512 38.483 39.000 -0.009 0.000 0.987 289 F HN 0.022 nan 8.300 nan 0.000 0.475 290 V N 0.905 120.800 119.914 -0.032 0.000 2.427 290 V HA -0.257 3.865 4.120 0.004 0.000 0.248 290 V C 2.498 178.521 176.094 -0.118 0.000 1.051 290 V CA 2.051 64.250 62.300 -0.168 0.000 1.048 290 V CB -0.706 31.082 31.823 -0.058 0.000 0.666 290 V HN 0.276 nan 8.190 nan 0.000 0.456 291 R N -0.395 120.081 120.500 -0.039 0.000 2.120 291 R HA -0.123 4.219 4.340 0.004 0.000 0.234 291 R C 2.523 178.796 176.300 -0.044 0.000 1.123 291 R CA 1.301 57.385 56.100 -0.026 0.000 0.975 291 R CB -0.303 30.001 30.300 0.007 0.000 0.866 291 R HN 0.413 nan 8.270 nan 0.000 0.446 292 R N 0.775 121.243 120.500 -0.054 0.000 2.075 292 R HA -0.045 4.297 4.340 0.004 0.000 0.232 292 R C 2.084 178.320 176.300 -0.108 0.000 1.126 292 R CA 1.117 57.185 56.100 -0.054 0.000 0.963 292 R CB -0.074 30.216 30.300 -0.017 0.000 0.858 292 R HN 0.173 nan 8.270 nan 0.000 0.435 293 L N -0.163 120.937 121.223 -0.205 0.000 2.217 293 L HA -0.030 4.312 4.340 0.004 0.000 0.211 293 L C 0.794 177.583 176.870 -0.134 0.000 1.107 293 L CA 0.974 55.683 54.840 -0.218 0.000 0.783 293 L CB 0.042 41.873 42.059 -0.379 0.000 0.919 293 L HN 0.040 nan 8.230 nan 0.000 0.442 294 R N 0.650 121.085 120.500 -0.108 0.000 2.748 294 R HA 0.241 4.583 4.340 0.004 0.000 0.283 294 R C -2.360 173.913 176.300 -0.045 0.000 1.507 294 R CA -1.532 54.527 56.100 -0.069 0.000 1.666 294 R CB 0.281 30.542 30.300 -0.066 0.000 1.237 294 R HN -0.030 nan 8.270 nan 0.000 0.633 295 P HA -0.029 nan 4.420 nan 0.000 0.258 295 P C -0.293 176.997 177.300 -0.017 0.000 1.187 295 P CA 0.392 63.478 63.100 -0.024 0.000 0.767 295 P CB 0.977 32.664 31.700 -0.021 0.000 0.770 296 A N 0.000 122.813 122.820 -0.012 0.000 2.254 296 A HA 0.000 4.322 4.320 0.004 0.000 0.244 296 A CA 0.000 52.032 52.037 -0.007 0.000 0.836 296 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 296 A HN 0.000 nan 8.150 nan 0.000 0.486