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 1k63_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 58.228 58.200 0.046 0.000 1.107 2 S CB 0.000 63.212 63.200 0.020 0.000 0.593 3 L N 0.770 122.005 121.223 0.020 0.000 2.490 3 L HA 0.782 5.124 4.340 0.005 0.000 0.245 3 L C 0.999 177.870 176.870 0.003 0.000 1.185 3 L CA 0.390 55.235 54.840 0.008 0.000 0.813 3 L CB 0.792 42.857 42.059 0.011 0.000 1.233 3 L HN 1.355 nan 8.230 nan 0.000 0.489 4 G N -1.329 107.469 108.800 -0.004 0.000 2.329 4 G HA2 0.312 4.275 3.960 0.005 0.000 0.308 4 G HA3 0.312 4.275 3.960 0.005 0.000 0.308 4 G C -0.535 174.359 174.900 -0.009 0.000 1.587 4 G CA -0.131 44.969 45.100 0.000 0.000 0.978 4 G HN 0.725 nan 8.290 nan 0.000 0.685 5 A N 0.222 123.059 122.820 0.029 0.000 2.267 5 A HA 0.458 4.781 4.320 0.005 0.000 0.213 5 A C 1.182 178.843 177.584 0.129 0.000 1.192 5 A CA 1.269 53.361 52.037 0.091 0.000 0.851 5 A CB -0.056 19.008 19.000 0.106 0.000 0.881 5 A HN 0.836 nan 8.150 nan 0.000 0.494 6 K N 2.111 122.548 120.400 0.063 0.000 2.350 6 K HA 0.230 4.552 4.320 0.005 0.000 0.279 6 K C -2.515 174.132 176.600 0.078 0.000 1.027 6 K CA -1.429 54.902 56.287 0.074 0.000 0.969 6 K CB 0.630 33.151 32.500 0.035 0.000 0.954 6 K HN 0.079 nan 8.250 nan 0.000 0.474 7 P HA -0.048 nan 4.420 nan 0.000 0.272 7 P C 0.126 177.492 177.300 0.109 0.000 1.230 7 P CA -0.275 62.911 63.100 0.144 0.000 0.788 7 P CB 0.372 32.178 31.700 0.177 0.000 0.949 8 F N 0.990 120.916 119.950 -0.041 0.000 2.259 8 F HA 0.161 4.689 4.527 0.002 0.000 0.298 8 F C 1.057 176.832 175.800 -0.042 0.000 1.088 8 F CA 1.737 59.704 58.000 -0.055 0.000 1.358 8 F CB -0.257 38.697 39.000 -0.078 0.000 1.040 8 F HN 0.516 nan 8.300 nan 0.000 0.505 9 G N -0.689 108.040 108.800 -0.118 0.000 2.548 9 G HA2 0.333 4.295 3.960 0.005 0.000 0.301 9 G HA3 0.333 4.295 3.960 0.005 0.000 0.301 9 G C -1.540 173.296 174.900 -0.107 0.000 1.349 9 G CA -0.891 44.077 45.100 -0.220 0.000 0.792 9 G HN 0.042 nan 8.290 nan 0.000 0.481 10 E N 0.415 120.540 120.200 -0.125 0.000 2.283 10 E HA 0.342 4.695 4.350 0.005 0.000 0.271 10 E C -0.339 176.153 176.600 -0.180 0.000 1.031 10 E CA -0.762 55.571 56.400 -0.111 0.000 0.868 10 E CB 1.102 30.748 29.700 -0.090 0.000 1.094 10 E HN 0.093 nan 8.360 nan 0.000 0.401 11 K N 2.202 122.464 120.400 -0.230 0.000 2.298 11 K HA 0.225 4.548 4.320 0.005 0.000 0.280 11 K C -0.263 175.913 176.600 -0.707 0.000 1.032 11 K CA 0.144 56.147 56.287 -0.473 0.000 0.958 11 K CB 0.712 32.885 32.500 -0.545 0.000 0.978 11 K HN 0.342 nan 8.250 nan 0.000 0.472 12 K N 1.483 121.315 120.400 -0.946 0.000 2.185 12 K HA 0.542 4.865 4.320 0.005 0.000 0.240 12 K C -0.675 175.261 176.600 -1.107 0.000 0.983 12 K CA -0.634 55.116 56.287 -0.896 0.000 0.873 12 K CB 0.965 32.879 32.500 -0.977 0.000 1.118 12 K HN 0.268 nan 8.250 nan 0.000 0.441 13 F N 1.193 121.055 119.950 -0.147 0.000 2.565 13 F HA 0.541 5.071 4.527 0.006 0.000 0.313 13 F C -0.252 175.682 175.800 0.223 0.000 1.091 13 F CA -0.816 57.230 58.000 0.076 0.000 0.915 13 F CB 1.385 40.411 39.000 0.044 0.000 1.208 13 F HN 0.123 nan 8.300 nan 0.000 0.453 14 I N 2.002 122.853 120.570 0.468 0.000 2.582 14 I HA 0.277 4.450 4.170 0.005 0.000 0.292 14 I C -0.809 175.458 176.117 0.250 0.000 1.066 14 I CA -0.982 60.515 61.300 0.328 0.000 1.053 14 I CB 2.157 40.323 38.000 0.278 0.000 1.241 14 I HN 0.453 nan 8.210 nan 0.000 0.421 15 E N 6.189 126.496 120.200 0.178 0.000 2.259 15 E HA 0.369 4.722 4.350 0.005 0.000 0.281 15 E C -0.788 175.887 176.600 0.126 0.000 1.037 15 E CA -0.236 56.249 56.400 0.141 0.000 0.854 15 E CB 1.566 31.326 29.700 0.099 0.000 1.051 15 E HN 0.247 nan 8.360 nan 0.000 0.409 16 I N 2.744 123.401 120.570 0.145 0.000 2.468 16 I HA 0.101 4.274 4.170 0.005 0.000 0.284 16 I C 0.560 176.741 176.117 0.106 0.000 1.038 16 I CA -0.578 60.793 61.300 0.118 0.000 1.083 16 I CB 1.159 39.268 38.000 0.181 0.000 1.223 16 I HN 0.567 nan 8.210 nan 0.000 0.443 17 K N 4.153 124.556 120.400 0.005 0.000 3.020 17 K HA -0.252 4.071 4.320 0.005 0.000 0.266 17 K C 0.996 177.629 176.600 0.055 0.000 1.067 17 K CA 0.847 57.113 56.287 -0.035 0.000 0.780 17 K CB -1.209 31.137 32.500 -0.257 0.000 1.220 17 K HN 1.192 nan 8.250 nan 0.000 0.483 18 G N -0.800 108.045 108.800 0.074 0.000 2.213 18 G HA2 -0.252 3.711 3.960 0.005 0.000 0.226 18 G HA3 -0.252 3.711 3.960 0.005 0.000 0.226 18 G C -0.179 174.776 174.900 0.092 0.000 0.992 18 G CA 0.101 45.243 45.100 0.070 0.000 0.632 18 G HN 0.119 nan 8.290 nan 0.000 0.511 19 R N 0.091 120.681 120.500 0.150 0.000 2.711 19 R HA 0.633 4.975 4.340 0.005 0.000 0.284 19 R C -0.044 176.343 176.300 0.145 0.000 0.968 19 R CA -1.003 55.176 56.100 0.132 0.000 0.924 19 R CB 1.288 31.670 30.300 0.136 0.000 1.162 19 R HN 0.287 nan 8.270 nan 0.000 0.465 20 R N 1.922 122.494 120.500 0.119 0.000 2.265 20 R HA 0.375 4.718 4.340 0.005 0.000 0.314 20 R C -0.315 176.133 176.300 0.248 0.000 1.053 20 R CA -0.087 56.117 56.100 0.172 0.000 0.931 20 R CB 0.749 31.101 30.300 0.088 0.000 1.024 20 R HN 0.461 nan 8.270 nan 0.000 0.457 21 M N 2.739 122.526 119.600 0.313 0.000 2.436 21 M HA 0.432 4.914 4.480 0.005 0.000 0.331 21 M C -0.467 176.064 176.300 0.386 0.000 1.135 21 M CA -0.799 54.691 55.300 0.317 0.000 0.987 21 M CB 2.233 34.996 32.600 0.271 0.000 1.687 21 M HN 0.620 nan 8.290 nan 0.000 0.445 22 A N 2.830 125.823 122.820 0.288 0.000 2.312 22 A HA 0.881 5.204 4.320 0.005 0.000 0.328 22 A C -1.440 176.249 177.584 0.176 0.000 1.158 22 A CA -0.394 51.656 52.037 0.021 0.000 0.821 22 A CB 0.657 19.601 19.000 -0.094 0.000 1.170 22 A HN 0.832 nan 8.150 nan 0.000 0.490 23 Y N -1.032 119.194 120.300 -0.123 0.000 2.592 23 Y HA 0.693 5.245 4.550 0.004 0.000 0.334 23 Y C -1.275 174.605 175.900 -0.033 0.000 1.136 23 Y CA -1.500 56.602 58.100 0.004 0.000 1.042 23 Y CB 0.618 39.122 38.460 0.072 0.000 1.325 23 Y HN 0.526 nan 8.280 nan 0.000 0.457 24 I N 2.556 123.213 120.570 0.145 0.000 2.385 24 I HA 0.360 4.533 4.170 0.005 0.000 0.294 24 I C -1.029 175.217 176.117 0.216 0.000 0.988 24 I CA -0.151 61.195 61.300 0.077 0.000 1.265 24 I CB 1.497 39.599 38.000 0.170 0.000 1.388 24 I HN 0.685 nan 8.210 nan 0.000 0.480 25 D N 6.133 126.609 120.400 0.126 0.000 2.478 25 D HA 0.295 4.938 4.640 0.005 0.000 0.240 25 D C -1.124 175.236 176.300 0.099 0.000 1.364 25 D CA -0.322 53.795 54.000 0.195 0.000 0.987 25 D CB 1.137 42.129 40.800 0.320 0.000 1.328 25 D HN 0.294 nan 8.370 nan 0.000 0.584 26 E N 1.584 121.861 120.200 0.129 0.000 2.317 26 E HA 0.666 5.019 4.350 0.005 0.000 0.270 26 E C 0.613 177.272 176.600 0.098 0.000 0.885 26 E CA -0.674 55.767 56.400 0.070 0.000 0.760 26 E CB 1.827 31.535 29.700 0.012 0.000 1.227 26 E HN 0.743 nan 8.360 nan 0.000 0.434 27 G N 0.981 109.813 108.800 0.053 0.000 2.760 27 G HA2 -0.174 3.789 3.960 0.005 0.000 0.246 27 G HA3 -0.174 3.789 3.960 0.005 0.000 0.246 27 G C -0.374 174.556 174.900 0.049 0.000 1.359 27 G CA -0.096 45.038 45.100 0.057 0.000 0.861 27 G HN 0.671 nan 8.290 nan 0.000 0.541 28 T N -1.061 113.518 114.554 0.041 0.000 2.901 28 T HA 0.950 5.303 4.350 0.005 0.000 0.293 28 T C 0.522 175.238 174.700 0.026 0.000 1.084 28 T CA 1.509 63.627 62.100 0.031 0.000 1.008 28 T CB 1.260 70.142 68.868 0.023 0.000 1.170 28 T HN 2.929 nan 8.240 nan 0.000 0.509 29 G N 2.161 110.971 108.800 0.017 0.000 2.373 29 G HA2 0.060 4.023 3.960 0.005 0.000 0.634 29 G HA3 0.060 4.023 3.960 0.005 0.000 0.634 29 G C -1.508 173.391 174.900 -0.001 0.000 1.267 29 G CA -0.617 44.488 45.100 0.008 0.000 1.008 29 G HN 0.801 nan 8.290 nan 0.000 0.497 30 D N 1.880 122.273 120.400 -0.011 0.000 2.423 30 D HA 0.431 5.074 4.640 0.005 0.000 0.238 30 D C -1.864 174.414 176.300 -0.036 0.000 1.142 30 D CA -0.093 53.892 54.000 -0.025 0.000 0.884 30 D CB 0.786 41.568 40.800 -0.030 0.000 1.199 30 D HN 0.223 nan 8.370 nan 0.000 0.438 31 P HA 0.237 nan 4.420 nan 0.000 0.271 31 P C -0.364 176.860 177.300 -0.127 0.000 1.218 31 P CA -0.066 62.979 63.100 -0.092 0.000 0.780 31 P CB 0.636 32.244 31.700 -0.153 0.000 0.901 32 I N 2.546 123.045 120.570 -0.118 0.000 2.448 32 I HA 0.237 4.410 4.170 0.005 0.000 0.281 32 I C -0.691 175.258 176.117 -0.281 0.000 1.027 32 I CA -0.825 60.336 61.300 -0.231 0.000 1.111 32 I CB 1.535 39.459 38.000 -0.127 0.000 1.236 32 I HN 0.106 nan 8.210 nan 0.000 0.452 33 L N 7.711 128.654 121.223 -0.467 0.000 2.280 33 L HA 0.547 4.890 4.340 0.005 0.000 0.287 33 L C -1.181 175.357 176.870 -0.553 0.000 1.023 33 L CA 0.016 54.593 54.840 -0.438 0.000 0.819 33 L CB 0.478 42.140 42.059 -0.661 0.000 1.212 33 L HN 0.197 nan 8.230 nan 0.000 0.420 34 F N 3.681 123.367 119.950 -0.440 0.000 2.404 34 F HA 0.590 5.119 4.527 0.002 0.000 0.354 34 F C 0.217 175.818 175.800 -0.332 0.000 1.122 34 F CA -0.499 57.025 58.000 -0.793 0.000 1.080 34 F CB 1.426 39.596 39.000 -1.383 0.000 1.131 34 F HN 0.400 nan 8.300 nan 0.000 0.471 35 Q N 4.052 123.929 119.800 0.128 0.000 2.309 35 Q HA 0.200 4.543 4.340 0.005 0.000 0.270 35 Q C -0.405 176.035 176.000 0.734 0.000 1.023 35 Q CA -0.671 55.413 55.803 0.468 0.000 0.758 35 Q CB 0.706 29.652 28.738 0.347 0.000 1.247 35 Q HN 0.690 nan 8.270 nan 0.000 0.455 36 H N 1.378 120.923 119.070 0.792 0.000 2.597 36 H HA 0.714 5.273 4.556 0.004 0.000 0.370 36 H C -0.350 175.179 175.328 0.335 0.000 1.281 36 H CA 0.005 56.372 56.048 0.532 0.000 1.422 36 H CB 0.860 30.859 29.762 0.395 0.000 1.524 36 H HN 0.643 nan 8.280 nan 0.000 0.607 37 G N 0.220 109.210 108.800 0.316 0.000 3.234 37 G HA2 0.112 4.075 3.960 0.005 0.000 0.159 37 G HA3 0.112 4.075 3.960 0.005 0.000 0.159 37 G C -0.677 174.393 174.900 0.285 0.000 1.175 37 G CA -0.770 44.392 45.100 0.103 0.000 0.900 37 G HN 0.690 nan 8.290 nan 0.000 0.621 38 N N 1.132 119.908 118.700 0.128 0.000 2.456 38 N HA 0.509 5.252 4.740 0.005 0.000 0.288 38 N C -2.337 173.350 175.510 0.295 0.000 1.059 38 N CA -2.032 51.080 53.050 0.103 0.000 0.946 38 N CB 2.235 40.641 38.487 -0.135 0.000 1.150 38 N HN 0.064 nan 8.380 nan 0.000 0.479 39 P HA 0.184 nan 4.420 nan 0.000 0.253 39 P C -0.533 176.929 177.300 0.270 0.000 1.863 39 P CA -0.235 62.904 63.100 0.065 0.000 1.145 39 P CB -0.076 31.567 31.700 -0.096 0.000 1.666 40 T N -2.440 112.307 114.554 0.321 0.000 2.920 40 T HA 0.717 5.069 4.350 0.005 0.000 0.292 40 T C 0.450 175.137 174.700 -0.022 0.000 1.093 40 T CA -0.389 61.887 62.100 0.293 0.000 0.944 40 T CB 0.731 69.782 68.868 0.305 0.000 1.605 40 T HN 0.243 nan 8.240 nan 0.000 0.590 41 S N -1.290 114.257 115.700 -0.254 0.000 2.757 41 S HA 0.381 4.854 4.470 0.005 0.000 0.285 41 S C 1.296 175.790 174.600 -0.175 0.000 1.196 41 S CA -0.021 57.710 58.200 -0.782 0.000 0.856 41 S CB 0.614 63.682 63.200 -0.220 0.000 1.212 41 S HN 1.221 nan 8.310 nan 0.000 0.516 42 S N 0.031 115.805 115.700 0.122 0.000 2.420 42 S HA -0.219 4.254 4.470 0.005 0.000 0.237 42 S C 1.491 176.271 174.600 0.300 0.000 1.023 42 S CA 1.522 59.955 58.200 0.389 0.000 0.991 42 S CB -1.221 62.174 63.200 0.325 0.000 0.792 42 S HN 0.794 nan 8.310 nan 0.000 0.488 43 Y N 2.062 122.376 120.300 0.023 0.000 2.298 43 Y HA -0.090 4.464 4.550 0.006 0.000 0.287 43 Y C 2.046 177.915 175.900 -0.052 0.000 1.164 43 Y CA 1.094 59.153 58.100 -0.069 0.000 1.229 43 Y CB -0.522 37.771 38.460 -0.278 0.000 0.977 43 Y HN 0.327 nan 8.280 nan 0.000 0.538 44 L N -0.850 120.390 121.223 0.028 0.000 2.127 44 L HA -0.200 4.143 4.340 0.005 0.000 0.211 44 L C 1.236 177.883 176.870 -0.371 0.000 1.089 44 L CA 1.906 56.646 54.840 -0.168 0.000 0.757 44 L CB -0.690 41.158 42.059 -0.350 0.000 0.899 44 L HN 0.338 nan 8.230 nan 0.000 0.434 45 W N -0.172 121.102 121.300 -0.043 0.000 3.290 45 W HA 0.173 4.835 4.660 0.004 0.000 0.287 45 W C 2.264 178.594 176.519 -0.314 0.000 1.288 45 W CA 0.058 57.302 57.345 -0.170 0.000 1.725 45 W CB -0.224 29.100 29.460 -0.227 0.000 1.103 45 W HN 0.122 nan 8.180 nan 0.000 0.670 46 R N 0.770 121.200 120.500 -0.116 0.000 2.139 46 R HA -0.168 4.175 4.340 0.005 0.000 0.243 46 R C 0.976 177.198 176.300 -0.131 0.000 1.145 46 R CA 1.725 57.737 56.100 -0.146 0.000 0.976 46 R CB -0.640 29.495 30.300 -0.274 0.000 0.866 46 R HN 0.127 nan 8.270 nan 0.000 0.449 47 N N -0.052 118.582 118.700 -0.111 0.000 2.236 47 N HA 0.164 4.906 4.740 0.005 0.000 0.196 47 N C 1.334 176.865 175.510 0.034 0.000 1.114 47 N CA 0.388 53.417 53.050 -0.035 0.000 0.859 47 N CB 0.506 38.979 38.487 -0.024 0.000 0.982 47 N HN 0.332 nan 8.380 nan 0.000 0.493 48 I N 0.120 120.678 120.570 -0.019 0.000 2.810 48 I HA 0.050 4.223 4.170 0.005 0.000 0.262 48 I C 1.981 178.048 176.117 -0.084 0.000 1.131 48 I CA 0.351 61.682 61.300 0.051 0.000 1.453 48 I CB 0.094 38.204 38.000 0.183 0.000 1.161 48 I HN -0.054 nan 8.210 nan 0.000 0.444 49 M N 0.764 120.052 119.600 -0.520 0.000 2.149 49 M HA -0.137 4.346 4.480 0.005 0.000 0.261 49 M C -0.569 175.377 176.300 -0.590 0.000 1.064 49 M CA 2.160 56.909 55.300 -0.918 0.000 1.102 49 M CB -1.479 30.080 32.600 -1.736 0.000 1.369 49 M HN 0.050 nan 8.290 nan 0.000 0.408 50 P HA -0.157 nan 4.420 nan 0.000 0.217 50 P C 0.725 177.983 177.300 -0.071 0.000 1.148 50 P CA 1.417 64.475 63.100 -0.070 0.000 0.828 50 P CB -0.208 31.488 31.700 -0.008 0.000 0.783 51 H N -2.478 116.566 119.070 -0.045 0.000 2.489 51 H HA -0.044 4.514 4.556 0.004 0.000 0.293 51 H C 1.197 176.543 175.328 0.030 0.000 1.066 51 H CA 1.043 57.095 56.048 0.006 0.000 1.305 51 H CB -0.703 29.068 29.762 0.016 0.000 1.386 51 H HN 0.172 nan 8.280 nan 0.000 0.551 52 C N 0.852 120.232 119.300 0.133 0.000 2.693 52 C HA 0.523 4.986 4.460 0.005 0.000 0.286 52 C C 1.226 176.274 174.990 0.096 0.000 1.277 52 C CA -0.415 58.676 59.018 0.123 0.000 1.705 52 C CB -1.544 26.301 27.740 0.174 0.000 1.879 52 C HN 0.537 nan 8.230 nan 0.000 0.607 53 A N 0.646 123.517 122.820 0.085 0.000 2.566 53 A HA 0.402 4.725 4.320 0.005 0.000 0.245 53 A C 1.494 179.117 177.584 0.066 0.000 1.056 53 A CA 1.266 53.360 52.037 0.094 0.000 0.757 53 A CB -0.508 18.540 19.000 0.080 0.000 0.979 53 A HN 1.532 nan 8.150 nan 0.000 0.508 54 G N 1.184 110.022 108.800 0.064 0.000 2.205 54 G HA2 -0.258 3.705 3.960 0.005 0.000 0.261 54 G HA3 -0.258 3.705 3.960 0.005 0.000 0.261 54 G C 0.658 175.581 174.900 0.038 0.000 0.980 54 G CA 0.579 45.705 45.100 0.043 0.000 0.632 54 G HN 0.829 nan 8.290 nan 0.000 0.533 55 L N 0.080 121.331 121.223 0.047 0.000 2.477 55 L HA 0.524 4.866 4.340 0.005 0.000 0.220 55 L C 1.465 178.350 176.870 0.025 0.000 1.106 55 L CA 0.846 55.705 54.840 0.033 0.000 0.851 55 L CB 0.132 42.215 42.059 0.039 0.000 0.994 55 L HN 0.705 nan 8.230 nan 0.000 0.462 56 G N -0.326 108.499 108.800 0.041 0.000 2.321 56 G HA2 0.150 4.113 3.960 0.005 0.000 0.296 56 G HA3 0.150 4.113 3.960 0.005 0.000 0.296 56 G C -1.561 173.372 174.900 0.055 0.000 1.287 56 G CA -0.887 44.232 45.100 0.032 0.000 0.846 56 G HN -0.087 nan 8.290 nan 0.000 0.508 57 R N 0.518 121.043 120.500 0.042 0.000 2.242 57 R HA 0.422 4.765 4.340 0.005 0.000 0.334 57 R C -0.320 176.034 176.300 0.090 0.000 1.071 57 R CA -0.350 55.785 56.100 0.059 0.000 0.922 57 R CB -0.201 30.118 30.300 0.031 0.000 1.023 57 R HN 0.362 nan 8.270 nan 0.000 0.458 58 L N 7.287 128.601 121.223 0.151 0.000 2.278 58 L HA 0.391 4.733 4.340 0.005 0.000 0.287 58 L C -0.146 176.848 176.870 0.207 0.000 1.072 58 L CA -0.303 54.667 54.840 0.216 0.000 0.819 58 L CB 0.739 42.931 42.059 0.222 0.000 1.176 58 L HN 0.550 nan 8.230 nan 0.000 0.435 59 I N 2.973 123.669 120.570 0.209 0.000 2.545 59 I HA 0.682 4.854 4.170 0.005 0.000 0.292 59 I C -0.241 176.005 176.117 0.215 0.000 1.040 59 I CA -0.569 60.841 61.300 0.184 0.000 1.068 59 I CB 2.222 40.257 38.000 0.058 0.000 1.251 59 I HN 0.634 nan 8.210 nan 0.000 0.424 60 A N 5.085 128.053 122.820 0.245 0.000 2.499 60 A HA 0.614 4.937 4.320 0.005 0.000 0.280 60 A C -0.887 176.921 177.584 0.374 0.000 1.135 60 A CA -0.389 51.823 52.037 0.291 0.000 0.744 60 A CB 0.709 19.872 19.000 0.273 0.000 1.213 60 A HN 0.752 nan 8.150 nan 0.000 0.434 61 C N 1.520 121.068 119.300 0.413 0.000 2.405 61 C HA 0.576 5.039 4.460 0.005 0.000 0.365 61 C C -0.040 175.244 174.990 0.490 0.000 1.233 61 C CA -0.549 58.730 59.018 0.435 0.000 2.230 61 C CB 0.548 28.537 27.740 0.414 0.000 2.443 61 C HN 0.757 nan 8.230 nan 0.000 0.556 62 D N 2.196 122.852 120.400 0.427 0.000 2.280 62 D HA 0.401 5.044 4.640 0.005 0.000 0.243 62 D C 0.153 176.731 176.300 0.463 0.000 1.129 62 D CA 0.017 54.311 54.000 0.490 0.000 0.848 62 D CB 0.866 41.828 40.800 0.271 0.000 1.107 62 D HN 0.380 nan 8.370 nan 0.000 0.471 63 L N 1.797 123.373 121.223 0.587 0.000 2.482 63 L HA 0.064 4.407 4.340 0.005 0.000 0.273 63 L C 0.973 178.058 176.870 0.359 0.000 1.228 63 L CA -0.591 54.495 54.840 0.410 0.000 0.827 63 L CB 0.201 42.519 42.059 0.432 0.000 1.099 63 L HN 0.307 nan 8.230 nan 0.000 0.494 64 I N 1.836 122.558 120.570 0.253 0.000 2.845 64 I HA 0.076 4.249 4.170 0.005 0.000 0.296 64 I C 1.185 177.393 176.117 0.152 0.000 1.216 64 I CA 1.563 62.883 61.300 0.033 0.000 1.438 64 I CB 0.449 38.195 38.000 -0.423 0.000 1.342 64 I HN 0.759 nan 8.210 nan 0.000 0.577 65 G N 5.435 114.315 108.800 0.134 0.000 2.184 65 G HA2 -0.275 3.688 3.960 0.005 0.000 0.264 65 G HA3 -0.275 3.688 3.960 0.005 0.000 0.264 65 G C 0.241 175.193 174.900 0.086 0.000 0.975 65 G CA 0.641 45.817 45.100 0.127 0.000 0.642 65 G HN 0.576 nan 8.290 nan 0.000 0.536 66 M N -0.966 118.729 119.600 0.158 0.000 2.727 66 M HA 0.597 5.080 4.480 0.005 0.000 0.300 66 M C 1.359 177.683 176.300 0.040 0.000 1.246 66 M CA -0.117 55.278 55.300 0.158 0.000 0.835 66 M CB 1.778 34.641 32.600 0.438 0.000 1.755 66 M HN 1.170 nan 8.290 nan 0.000 0.473 67 G N 0.940 109.689 108.800 -0.086 0.000 2.634 67 G HA2 -0.250 3.713 3.960 0.005 0.000 0.309 67 G HA3 -0.250 3.713 3.960 0.005 0.000 0.309 67 G C -0.013 174.850 174.900 -0.061 0.000 1.265 67 G CA 0.612 45.664 45.100 -0.081 0.000 0.998 67 G HN 0.823 nan 8.290 nan 0.000 0.551 68 D N 1.186 121.606 120.400 0.032 0.000 2.388 68 D HA 0.324 4.967 4.640 0.005 0.000 0.221 68 D C 0.715 177.132 176.300 0.194 0.000 1.133 68 D CA 0.438 54.500 54.000 0.104 0.000 0.831 68 D CB 0.327 41.229 40.800 0.170 0.000 0.962 68 D HN 0.238 nan 8.370 nan 0.000 0.502 69 S N 1.104 116.896 115.700 0.154 0.000 2.584 69 S HA 0.098 4.571 4.470 0.005 0.000 0.273 69 S C 0.206 174.867 174.600 0.102 0.000 1.311 69 S CA -0.629 57.675 58.200 0.174 0.000 1.034 69 S CB 1.460 64.765 63.200 0.175 0.000 0.939 69 S HN 0.075 nan 8.310 nan 0.000 0.513 70 D N 2.343 122.795 120.400 0.086 0.000 2.419 70 D HA 0.087 4.730 4.640 0.005 0.000 0.236 70 D C 0.234 176.553 176.300 0.031 0.000 1.165 70 D CA 0.323 54.347 54.000 0.039 0.000 0.882 70 D CB 0.451 41.266 40.800 0.026 0.000 1.201 70 D HN 0.191 nan 8.370 nan 0.000 0.443 71 K N 1.140 121.564 120.400 0.041 0.000 2.154 71 K HA 0.361 4.684 4.320 0.005 0.000 0.264 71 K C 0.108 176.727 176.600 0.032 0.000 1.008 71 K CA -0.493 55.856 56.287 0.103 0.000 0.937 71 K CB 0.787 33.345 32.500 0.097 0.000 1.002 71 K HN 0.338 nan 8.250 nan 0.000 0.469 72 L N 1.312 122.534 121.223 -0.003 0.000 2.357 72 L HA 0.285 4.628 4.340 0.005 0.000 0.273 72 L C 0.057 176.863 176.870 -0.107 0.000 1.080 72 L CA -0.413 54.315 54.840 -0.186 0.000 0.803 72 L CB 0.837 42.579 42.059 -0.528 0.000 1.174 72 L HN 0.571 nan 8.230 nan 0.000 0.443 73 D N 2.644 122.991 120.400 -0.090 0.000 2.891 73 D HA 0.321 4.964 4.640 0.005 0.000 0.224 73 D C -2.364 173.903 176.300 -0.055 0.000 1.321 73 D CA -0.946 53.022 54.000 -0.053 0.000 0.929 73 D CB 1.734 42.521 40.800 -0.022 0.000 1.551 73 D HN 0.265 nan 8.370 nan 0.000 0.574 74 P HA 0.300 nan 4.420 nan 0.000 0.269 74 P C -0.701 176.549 177.300 -0.084 0.000 1.209 74 P CA -0.367 62.702 63.100 -0.053 0.000 0.776 74 P CB 1.108 32.782 31.700 -0.043 0.000 0.876 75 S N -0.253 115.417 115.700 -0.049 0.000 2.542 75 S HA 0.814 5.287 4.470 0.005 0.000 0.293 75 S C -0.337 174.258 174.600 -0.009 0.000 1.089 75 S CA 0.166 58.340 58.200 -0.042 0.000 0.961 75 S CB 1.377 64.608 63.200 0.052 0.000 1.062 75 S HN 0.997 nan 8.310 nan 0.000 0.483 76 G N 2.600 111.398 108.800 -0.004 0.000 2.341 76 G HA2 0.400 4.363 3.960 0.005 0.000 0.299 76 G HA3 0.400 4.363 3.960 0.005 0.000 0.299 76 G C -2.808 172.096 174.900 0.006 0.000 1.274 76 G CA -0.600 44.503 45.100 0.005 0.000 0.853 76 G HN 0.404 nan 8.290 nan 0.000 0.493 77 P HA -0.017 nan 4.420 nan 0.000 0.218 77 P C 1.070 178.367 177.300 -0.004 0.000 1.146 77 P CA 1.342 64.447 63.100 0.008 0.000 0.813 77 P CB 0.220 31.928 31.700 0.013 0.000 0.778 78 E N -1.782 118.406 120.200 -0.021 0.000 2.479 78 E HA 0.046 4.399 4.350 0.005 0.000 0.193 78 E C 0.830 177.384 176.600 -0.076 0.000 1.049 78 E CA -0.182 56.197 56.400 -0.036 0.000 0.870 78 E CB 0.111 29.790 29.700 -0.035 0.000 0.944 78 E HN 0.044 nan 8.360 nan 0.000 0.492 79 R N -0.446 119.998 120.500 -0.094 0.000 2.536 79 R HA 0.129 4.472 4.340 0.005 0.000 0.279 79 R C -0.859 175.354 176.300 -0.145 0.000 1.001 79 R CA -0.385 55.585 56.100 -0.217 0.000 1.027 79 R CB 0.176 30.283 30.300 -0.321 0.000 1.096 79 R HN 0.001 nan 8.270 nan 0.000 0.502 80 Y N -0.875 119.249 120.300 -0.294 0.000 4.032 80 Y HA -0.258 4.295 4.550 0.005 0.000 0.230 80 Y C 0.084 175.704 175.900 -0.466 0.000 1.202 80 Y CA 0.565 58.380 58.100 -0.474 0.000 1.878 80 Y CB -2.371 35.824 38.460 -0.441 0.000 1.586 80 Y HN 0.666 nan 8.280 nan 0.000 0.673 81 A N -0.461 122.239 122.820 -0.199 0.000 2.296 81 A HA 0.381 4.704 4.320 0.005 0.000 0.264 81 A C 1.091 178.589 177.584 -0.143 0.000 1.097 81 A CA 0.207 52.150 52.037 -0.156 0.000 0.811 81 A CB 0.110 19.084 19.000 -0.043 0.000 1.072 81 A HN 0.458 nan 8.150 nan 0.000 0.495 82 Y N 0.707 120.918 120.300 -0.147 0.000 2.081 82 Y HA -0.231 4.322 4.550 0.004 0.000 0.280 82 Y C 2.443 178.413 175.900 0.117 0.000 1.163 82 Y CA 2.962 61.083 58.100 0.035 0.000 1.135 82 Y CB -0.505 38.057 38.460 0.170 0.000 0.970 82 Y HN 0.612 nan 8.280 nan 0.000 0.498 83 A N -0.114 122.830 122.820 0.208 0.000 1.940 83 A HA -0.264 4.059 4.320 0.005 0.000 0.219 83 A C 2.208 179.794 177.584 0.003 0.000 1.176 83 A CA 1.953 54.064 52.037 0.123 0.000 0.631 83 A CB -0.900 18.188 19.000 0.148 0.000 0.814 83 A HN 0.700 nan 8.150 nan 0.000 0.446 84 E N -1.247 118.934 120.200 -0.031 0.000 2.107 84 E HA -0.219 4.134 4.350 0.005 0.000 0.191 84 E C 1.747 178.350 176.600 0.004 0.000 0.982 84 E CA 1.104 57.482 56.400 -0.037 0.000 0.809 84 E CB -0.212 29.410 29.700 -0.131 0.000 0.756 84 E HN 0.811 nan 8.360 nan 0.000 0.459 85 H N -0.234 118.772 119.070 -0.107 0.000 2.353 85 H HA -0.061 4.498 4.556 0.005 0.000 0.300 85 H C 2.225 177.502 175.328 -0.086 0.000 1.090 85 H CA 1.904 57.905 56.048 -0.078 0.000 1.327 85 H CB 0.066 29.748 29.762 -0.134 0.000 1.383 85 H HN 0.015 nan 8.280 nan 0.000 0.508 86 R N 0.538 120.984 120.500 -0.089 0.000 2.096 86 R HA -0.157 4.186 4.340 0.005 0.000 0.235 86 R C 1.692 177.965 176.300 -0.045 0.000 1.127 86 R CA 1.898 57.921 56.100 -0.129 0.000 0.968 86 R CB -0.095 30.106 30.300 -0.165 0.000 0.861 86 R HN 0.300 nan 8.270 nan 0.000 0.440 87 D N -0.680 119.707 120.400 -0.022 0.000 2.117 87 D HA -0.182 4.460 4.640 0.005 0.000 0.197 87 D C 1.477 177.699 176.300 -0.130 0.000 0.987 87 D CA 1.376 55.332 54.000 -0.073 0.000 0.829 87 D CB -0.089 40.643 40.800 -0.114 0.000 0.961 87 D HN 0.292 nan 8.370 nan 0.000 0.460 88 Y N -0.350 119.900 120.300 -0.082 0.000 2.184 88 Y HA -0.031 4.521 4.550 0.004 0.000 0.290 88 Y C 2.115 177.950 175.900 -0.107 0.000 1.129 88 Y CA 0.656 58.714 58.100 -0.069 0.000 1.144 88 Y CB -0.390 38.035 38.460 -0.058 0.000 0.995 88 Y HN 0.031 nan 8.280 nan 0.000 0.513 89 L N 0.131 121.332 121.223 -0.037 0.000 2.046 89 L HA -0.203 4.140 4.340 0.005 0.000 0.208 89 L C 1.655 178.242 176.870 -0.472 0.000 1.077 89 L CA 1.833 56.456 54.840 -0.362 0.000 0.747 89 L CB -0.718 40.999 42.059 -0.570 0.000 0.896 89 L HN 0.081 nan 8.230 nan 0.000 0.432 90 D N -0.423 119.845 120.400 -0.220 0.000 2.104 90 D HA -0.174 4.468 4.640 0.005 0.000 0.194 90 D C 2.211 178.540 176.300 0.049 0.000 0.994 90 D CA 1.553 55.556 54.000 0.006 0.000 0.830 90 D CB -0.186 40.692 40.800 0.130 0.000 0.959 90 D HN 0.453 nan 8.370 nan 0.000 0.452 91 A N 0.394 123.211 122.820 -0.006 0.000 1.877 91 A HA -0.141 4.182 4.320 0.005 0.000 0.216 91 A C 2.138 179.745 177.584 0.038 0.000 1.186 91 A CA 1.170 53.214 52.037 0.012 0.000 0.620 91 A CB -0.794 18.177 19.000 -0.049 0.000 0.822 91 A HN 0.279 nan 8.150 nan 0.000 0.443 92 L N -1.380 119.851 121.223 0.014 0.000 2.046 92 L HA -0.131 4.211 4.340 0.005 0.000 0.208 92 L C 2.168 179.115 176.870 0.128 0.000 1.077 92 L CA 1.836 56.703 54.840 0.045 0.000 0.747 92 L CB -0.752 41.327 42.059 0.034 0.000 0.896 92 L HN 0.568 nan 8.230 nan 0.000 0.432 93 W N 0.132 121.360 121.300 -0.119 0.000 2.402 93 W HA -0.113 4.551 4.660 0.007 0.000 0.286 93 W C 2.698 179.167 176.519 -0.083 0.000 1.221 93 W CA 1.197 58.425 57.345 -0.195 0.000 1.257 93 W CB -0.913 28.299 29.460 -0.414 0.000 1.120 93 W HN 0.329 nan 8.180 nan 0.000 0.551 94 E N 0.566 120.896 120.200 0.218 0.000 2.047 94 E HA -0.126 4.227 4.350 0.005 0.000 0.191 94 E C 2.228 178.883 176.600 0.092 0.000 0.987 94 E CA 2.046 58.542 56.400 0.160 0.000 0.799 94 E CB -0.731 29.056 29.700 0.145 0.000 0.752 94 E HN -0.017 nan 8.360 nan 0.000 0.449 95 A N 0.515 123.377 122.820 0.070 0.000 1.978 95 A HA -0.128 4.194 4.320 0.005 0.000 0.220 95 A C 2.211 179.801 177.584 0.009 0.000 1.170 95 A CA 1.428 53.489 52.037 0.040 0.000 0.636 95 A CB -0.729 18.294 19.000 0.038 0.000 0.810 95 A HN 0.362 nan 8.150 nan 0.000 0.448 96 L N -0.967 120.241 121.223 -0.026 0.000 2.551 96 L HA -0.042 4.301 4.340 0.005 0.000 0.228 96 L C 0.429 177.278 176.870 -0.035 0.000 1.153 96 L CA 0.439 55.231 54.840 -0.080 0.000 0.851 96 L CB -0.519 41.437 42.059 -0.172 0.000 0.959 96 L HN 0.383 nan 8.230 nan 0.000 0.451 97 D N 0.265 120.666 120.400 0.002 0.000 2.812 97 D HA -0.203 4.440 4.640 0.005 0.000 0.237 97 D C 0.720 177.018 176.300 -0.003 0.000 1.162 97 D CA 0.428 54.437 54.000 0.015 0.000 0.740 97 D CB -0.858 39.954 40.800 0.020 0.000 1.000 97 D HN 0.215 nan 8.370 nan 0.000 0.416 98 L N 0.294 121.510 121.223 -0.011 0.000 2.313 98 L HA 0.228 4.570 4.340 0.005 0.000 0.214 98 L C 2.069 178.937 176.870 -0.003 0.000 1.119 98 L CA 0.596 55.410 54.840 -0.043 0.000 0.809 98 L CB -0.623 41.371 42.059 -0.109 0.000 0.933 98 L HN 0.614 nan 8.230 nan 0.000 0.449 99 G N 1.591 110.410 108.800 0.032 0.000 2.642 99 G HA2 -0.315 3.647 3.960 0.005 0.000 0.231 99 G HA3 -0.315 3.647 3.960 0.005 0.000 0.231 99 G C -0.102 174.832 174.900 0.057 0.000 1.338 99 G CA 0.112 45.233 45.100 0.036 0.000 0.883 99 G HN 0.445 nan 8.290 nan 0.000 0.570 100 D N -0.950 119.476 120.400 0.044 0.000 2.501 100 D HA 0.206 4.848 4.640 0.005 0.000 0.224 100 D C 0.938 177.264 176.300 0.043 0.000 1.202 100 D CA -0.136 53.896 54.000 0.054 0.000 0.829 100 D CB 0.260 41.084 40.800 0.040 0.000 1.023 100 D HN 0.331 nan 8.370 nan 0.000 0.499 101 R N 0.984 121.497 120.500 0.023 0.000 2.835 101 R HA 0.308 4.651 4.340 0.005 0.000 0.290 101 R C -0.858 175.433 176.300 -0.015 0.000 1.410 101 R CA -0.490 55.613 56.100 0.004 0.000 1.590 101 R CB 1.173 31.465 30.300 -0.014 0.000 1.288 101 R HN -0.007 nan 8.270 nan 0.000 0.637 102 V N 1.563 121.481 119.914 0.007 0.000 2.498 102 V HA 0.257 4.379 4.120 0.005 0.000 0.279 102 V C 0.535 176.595 176.094 -0.057 0.000 1.048 102 V CA -0.601 61.668 62.300 -0.051 0.000 0.967 102 V CB 1.992 33.782 31.823 -0.054 0.000 0.988 102 V HN 0.046 nan 8.190 nan 0.000 0.473 103 V N 6.987 126.827 119.914 -0.124 0.000 2.350 103 V HA 0.390 4.513 4.120 0.005 0.000 0.276 103 V C 0.004 175.977 176.094 -0.201 0.000 1.028 103 V CA -0.394 61.841 62.300 -0.109 0.000 0.860 103 V CB 1.400 33.145 31.823 -0.130 0.000 0.990 103 V HN 0.618 nan 8.190 nan 0.000 0.453 104 L N 5.717 126.872 121.223 -0.113 0.000 2.312 104 L HA 0.590 4.933 4.340 0.005 0.000 0.281 104 L C -0.489 176.263 176.870 -0.196 0.000 1.070 104 L CA -0.507 54.220 54.840 -0.190 0.000 0.805 104 L CB 1.666 43.710 42.059 -0.024 0.000 1.174 104 L HN 0.339 nan 8.230 nan 0.000 0.434 105 V N 4.277 123.943 119.914 -0.414 0.000 2.409 105 V HA 0.501 4.623 4.120 0.005 0.000 0.290 105 V C -0.191 175.737 176.094 -0.278 0.000 1.017 105 V CA -0.605 61.425 62.300 -0.450 0.000 0.841 105 V CB 1.816 33.014 31.823 -1.042 0.000 1.003 105 V HN 0.539 nan 8.190 nan 0.000 0.426 106 V N 1.199 121.144 119.914 0.053 0.000 3.040 106 V HA 0.749 4.872 4.120 0.005 0.000 0.312 106 V C -0.892 175.453 176.094 0.418 0.000 1.115 106 V CA -0.563 61.866 62.300 0.215 0.000 0.998 106 V CB 2.268 34.080 31.823 -0.019 0.000 1.042 106 V HN 0.965 nan 8.190 nan 0.000 0.433 107 H N 0.590 119.819 119.070 0.265 0.000 2.974 107 H HA 0.357 4.916 4.556 0.005 0.000 0.366 107 H C -0.033 175.286 175.328 -0.016 0.000 1.155 107 H CA 0.626 56.745 56.048 0.118 0.000 1.186 107 H CB 2.538 32.355 29.762 0.091 0.000 1.799 107 H HN 1.171 nan 8.280 nan 0.000 0.541 108 D N 1.973 121.984 120.400 -0.649 0.000 3.452 108 D HA -0.344 4.298 4.640 0.005 0.000 0.164 108 D C 0.701 176.691 176.300 -0.516 0.000 1.074 108 D CA 2.530 56.167 54.000 -0.604 0.000 1.069 108 D CB -0.905 39.512 40.800 -0.639 0.000 0.527 108 D HN 0.660 nan 8.370 nan 0.000 0.558 109 W N 0.078 121.141 121.300 -0.394 0.000 2.421 109 W HA 0.102 4.765 4.660 0.005 0.000 0.270 109 W C 2.450 178.763 176.519 -0.342 0.000 1.233 109 W CA 0.707 57.735 57.345 -0.529 0.000 1.226 109 W CB -0.466 28.196 29.460 -1.330 0.000 1.121 109 W HN 0.418 nan 8.180 nan 0.000 0.579 110 G N -0.356 108.401 108.800 -0.071 0.000 2.443 110 G HA2 -0.275 3.687 3.960 0.005 0.000 0.219 110 G HA3 -0.275 3.687 3.960 0.005 0.000 0.219 110 G C 1.570 176.434 174.900 -0.060 0.000 1.131 110 G CA 1.328 46.432 45.100 0.007 0.000 0.775 110 G HN 0.318 nan 8.290 nan 0.000 0.547 111 S N 1.068 116.633 115.700 -0.226 0.000 2.371 111 S HA 0.229 4.702 4.470 0.005 0.000 0.224 111 S C 2.632 176.816 174.600 -0.693 0.000 1.029 111 S CA 1.323 59.135 58.200 -0.646 0.000 0.978 111 S CB -0.449 62.328 63.200 -0.705 0.000 0.833 111 S HN 0.501 nan 8.310 nan 0.000 0.466 112 A N 2.236 124.905 122.820 -0.253 0.000 1.883 112 A HA 0.091 4.413 4.320 0.005 0.000 0.217 112 A C 2.359 180.096 177.584 0.255 0.000 1.186 112 A CA 1.607 53.687 52.037 0.073 0.000 0.624 112 A CB -0.991 18.263 19.000 0.423 0.000 0.822 112 A HN 0.550 nan 8.150 nan 0.000 0.444 113 L N -0.828 120.582 121.223 0.310 0.000 2.056 113 L HA -0.100 4.243 4.340 0.005 0.000 0.207 113 L C 2.859 179.870 176.870 0.235 0.000 1.078 113 L CA 1.113 56.113 54.840 0.266 0.000 0.749 113 L CB -0.804 41.291 42.059 0.060 0.000 0.901 113 L HN 0.491 nan 8.230 nan 0.000 0.433 114 G N -0.396 108.501 108.800 0.162 0.000 2.418 114 G HA2 -0.244 3.718 3.960 0.005 0.000 0.217 114 G HA3 -0.244 3.718 3.960 0.005 0.000 0.217 114 G C 1.345 176.471 174.900 0.376 0.000 1.158 114 G CA 0.367 45.648 45.100 0.302 0.000 0.771 114 G HN 0.143 nan 8.290 nan 0.000 0.545 115 F N 1.493 121.467 119.950 0.039 0.000 2.134 115 F HA 0.004 4.533 4.527 0.004 0.000 0.299 115 F C 2.321 178.130 175.800 0.016 0.000 1.097 115 F CA 0.641 58.587 58.000 -0.090 0.000 1.264 115 F CB -0.739 37.833 39.000 -0.714 0.000 1.001 115 F HN 0.170 nan 8.300 nan 0.000 0.479 116 D N -0.970 119.585 120.400 0.258 0.000 2.097 116 D HA -0.260 4.383 4.640 0.005 0.000 0.195 116 D C 2.244 178.749 176.300 0.342 0.000 0.989 116 D CA 1.239 55.476 54.000 0.395 0.000 0.827 116 D CB -0.568 40.571 40.800 0.565 0.000 0.966 116 D HN 0.337 nan 8.370 nan 0.000 0.456 117 W N 1.270 122.721 121.300 0.250 0.000 2.363 117 W HA -0.068 4.594 4.660 0.004 0.000 0.296 117 W C 2.349 179.049 176.519 0.301 0.000 1.212 117 W CA 2.421 59.967 57.345 0.334 0.000 1.260 117 W CB -0.344 29.366 29.460 0.416 0.000 1.131 117 W HN 0.061 nan 8.180 nan 0.000 0.530 118 A N 0.450 123.551 122.820 0.468 0.000 1.902 118 A HA -0.201 4.122 4.320 0.005 0.000 0.217 118 A C 2.061 179.337 177.584 -0.514 0.000 1.181 118 A CA 1.766 53.918 52.037 0.191 0.000 0.623 118 A CB -0.997 18.302 19.000 0.500 0.000 0.818 118 A HN 0.396 nan 8.150 nan 0.000 0.443 119 R N -0.318 119.678 120.500 -0.840 0.000 2.117 119 R HA -0.136 4.207 4.340 0.005 0.000 0.243 119 R C 2.072 177.834 176.300 -0.896 0.000 1.143 119 R CA 1.770 56.950 56.100 -1.533 0.000 0.968 119 R CB -0.187 29.655 30.300 -0.764 0.000 0.863 119 R HN 0.514 nan 8.270 nan 0.000 0.444 120 R N -1.402 118.758 120.500 -0.566 0.000 2.275 120 R HA 0.004 4.347 4.340 0.005 0.000 0.199 120 R C 0.091 175.803 176.300 -0.980 0.000 0.989 120 R CA 0.655 56.360 56.100 -0.659 0.000 1.016 120 R CB 0.287 30.236 30.300 -0.583 0.000 0.918 120 R HN 0.390 nan 8.270 nan 0.000 0.473 121 H N -0.717 117.982 119.070 -0.619 0.000 2.779 121 H HA 0.137 4.696 4.556 0.005 0.000 0.230 121 H C 0.774 175.877 175.328 -0.374 0.000 1.365 121 H CA -0.414 55.266 56.048 -0.613 0.000 1.086 121 H CB 0.364 29.401 29.762 -1.208 0.000 2.038 121 H HN 0.081 nan 8.280 nan 0.000 0.558 122 R N 0.475 120.845 120.500 -0.216 0.000 2.139 122 R HA -0.123 4.219 4.340 0.005 0.000 0.243 122 R C 0.452 176.786 176.300 0.057 0.000 1.145 122 R CA 1.490 57.583 56.100 -0.011 0.000 0.976 122 R CB 0.003 30.341 30.300 0.064 0.000 0.866 122 R HN 0.201 nan 8.270 nan 0.000 0.449 123 E N 0.964 121.167 120.200 0.005 0.000 2.478 123 E HA -0.060 4.292 4.350 0.005 0.000 0.198 123 E C 1.388 178.012 176.600 0.041 0.000 1.046 123 E CA 0.613 57.029 56.400 0.026 0.000 0.870 123 E CB 0.038 29.741 29.700 0.004 0.000 0.818 123 E HN 0.511 nan 8.360 nan 0.000 0.527 124 R N 0.147 120.676 120.500 0.047 0.000 2.362 124 R HA 0.168 4.511 4.340 0.005 0.000 0.227 124 R C 0.046 176.432 176.300 0.143 0.000 0.905 124 R CA -0.019 56.134 56.100 0.088 0.000 1.067 124 R CB 0.966 31.326 30.300 0.100 0.000 1.078 124 R HN -0.141 nan 8.270 nan 0.000 0.516 125 V N 1.626 121.631 119.914 0.151 0.000 2.328 125 V HA 0.080 4.202 4.120 0.005 0.000 0.278 125 V C 0.922 177.087 176.094 0.118 0.000 1.021 125 V CA -0.233 62.178 62.300 0.184 0.000 0.838 125 V CB 1.438 33.428 31.823 0.278 0.000 0.999 125 V HN 0.204 nan 8.190 nan 0.000 0.447 126 Q N 3.720 123.558 119.800 0.064 0.000 2.269 126 Q HA 0.244 4.587 4.340 0.005 0.000 0.201 126 Q C 0.766 176.761 176.000 -0.009 0.000 0.946 126 Q CA 1.041 56.848 55.803 0.006 0.000 0.877 126 Q CB 0.584 29.297 28.738 -0.043 0.000 0.963 126 Q HN 0.910 nan 8.270 nan 0.000 0.472 127 G N -0.054 108.775 108.800 0.049 0.000 2.579 127 G HA2 0.484 4.447 3.960 0.005 0.000 0.292 127 G HA3 0.484 4.447 3.960 0.005 0.000 0.292 127 G C -1.766 173.311 174.900 0.294 0.000 1.484 127 G CA -0.778 44.412 45.100 0.150 0.000 0.813 127 G HN 0.137 nan 8.290 nan 0.000 0.515 128 I N 0.945 121.778 120.570 0.438 0.000 2.478 128 I HA 0.596 4.769 4.170 0.005 0.000 0.287 128 I C 0.224 176.562 176.117 0.368 0.000 1.042 128 I CA -0.908 60.619 61.300 0.378 0.000 1.067 128 I CB 2.177 40.407 38.000 0.382 0.000 1.233 128 I HN 0.692 nan 8.210 nan 0.000 0.431 129 A N 6.769 129.737 122.820 0.247 0.000 2.288 129 A HA 0.813 5.136 4.320 0.005 0.000 0.320 129 A C -1.182 176.546 177.584 0.241 0.000 1.217 129 A CA -0.318 51.760 52.037 0.068 0.000 0.840 129 A CB 0.520 19.486 19.000 -0.057 0.000 1.179 129 A HN 0.675 nan 8.150 nan 0.000 0.504 130 Y N 0.131 120.528 120.300 0.163 0.000 2.581 130 Y HA 0.843 5.396 4.550 0.005 0.000 0.345 130 Y C -0.777 175.278 175.900 0.258 0.000 1.036 130 Y CA -1.825 56.418 58.100 0.238 0.000 1.042 130 Y CB 1.541 40.248 38.460 0.412 0.000 1.289 130 Y HN 0.815 nan 8.280 nan 0.000 0.471 131 M N 0.585 120.383 119.600 0.331 0.000 2.426 131 M HA 0.445 4.927 4.480 0.005 0.000 0.289 131 M C -1.205 175.261 176.300 0.277 0.000 1.168 131 M CA -0.748 54.686 55.300 0.223 0.000 0.933 131 M CB 2.439 35.101 32.600 0.104 0.000 1.750 131 M HN 0.771 nan 8.290 nan 0.000 0.494 132 E N 0.393 120.718 120.200 0.208 0.000 2.183 132 E HA -0.166 4.187 4.350 0.005 0.000 0.196 132 E C -0.674 175.946 176.600 0.032 0.000 1.364 132 E CA 1.239 57.704 56.400 0.108 0.000 0.700 132 E CB -1.137 28.550 29.700 -0.022 0.000 1.106 132 E HN 0.814 nan 8.360 nan 0.000 0.347 133 A N 0.703 123.597 122.820 0.123 0.000 2.269 133 A HA 0.732 5.055 4.320 0.005 0.000 0.327 133 A C 0.547 178.145 177.584 0.024 0.000 1.112 133 A CA -0.612 51.462 52.037 0.061 0.000 0.865 133 A CB 0.933 20.103 19.000 0.282 0.000 1.227 133 A HN 0.272 nan 8.150 nan 0.000 0.498 134 I N 1.779 122.330 120.570 -0.033 0.000 2.317 134 I HA 0.205 4.378 4.170 0.005 0.000 0.286 134 I C 1.210 177.525 176.117 0.330 0.000 1.119 134 I CA -0.055 61.237 61.300 -0.014 0.000 1.228 134 I CB 0.820 38.651 38.000 -0.282 0.000 1.476 134 I HN 0.734 nan 8.210 nan 0.000 0.514 135 A N 7.100 130.142 122.820 0.371 0.000 2.208 135 A HA 0.241 4.563 4.320 0.005 0.000 0.209 135 A C 0.813 178.737 177.584 0.566 0.000 1.161 135 A CA 0.612 53.007 52.037 0.596 0.000 0.782 135 A CB 0.023 19.249 19.000 0.376 0.000 0.816 135 A HN 0.757 nan 8.150 nan 0.000 0.477 136 M N -4.241 115.524 119.600 0.276 0.000 2.956 136 M HA 0.497 4.980 4.480 0.005 0.000 0.272 136 M C -3.441 172.827 176.300 -0.054 0.000 1.132 136 M CA -1.728 53.599 55.300 0.045 0.000 0.805 136 M CB 0.787 33.314 32.600 -0.122 0.000 1.639 136 M HN -0.265 nan 8.290 nan 0.000 0.520 137 P HA 0.461 nan 4.420 nan 0.000 0.271 137 P C -1.067 176.164 177.300 -0.115 0.000 1.218 137 P CA -0.254 62.776 63.100 -0.117 0.000 0.780 137 P CB 0.458 32.081 31.700 -0.128 0.000 0.901 138 I N -1.951 118.549 120.570 -0.116 0.000 3.445 138 I HA 0.669 4.842 4.170 0.005 0.000 0.303 138 I C -0.458 175.572 176.117 -0.145 0.000 1.129 138 I CA -1.181 60.051 61.300 -0.113 0.000 0.989 138 I CB 1.833 39.781 38.000 -0.086 0.000 1.314 138 I HN 0.026 nan 8.210 nan 0.000 0.488 139 E N 0.308 120.443 120.200 -0.109 0.000 2.263 139 E HA 0.207 4.559 4.350 0.005 0.000 0.264 139 E C -0.291 176.268 176.600 -0.067 0.000 0.923 139 E CA -0.494 55.851 56.400 -0.092 0.000 0.802 139 E CB 1.621 31.321 29.700 0.000 0.000 1.228 139 E HN 0.808 nan 8.360 nan 0.000 0.417 140 W N 1.138 122.457 121.300 0.031 0.000 2.331 140 W HA -0.198 4.464 4.660 0.005 0.000 0.291 140 W C 2.046 178.615 176.519 0.083 0.000 1.214 140 W CA 1.470 58.840 57.345 0.042 0.000 1.228 140 W CB -0.097 29.364 29.460 0.002 0.000 1.135 140 W HN 0.680 nan 8.180 nan 0.000 0.537 141 A N -0.053 122.921 122.820 0.257 0.000 2.024 141 A HA -0.214 4.109 4.320 0.005 0.000 0.220 141 A C 1.521 179.181 177.584 0.127 0.000 1.164 141 A CA 2.010 54.146 52.037 0.165 0.000 0.643 141 A CB -0.599 18.463 19.000 0.103 0.000 0.806 141 A HN 0.228 nan 8.150 nan 0.000 0.451 142 D N -1.981 118.484 120.400 0.108 0.000 2.348 142 D HA 0.097 4.740 4.640 0.005 0.000 0.211 142 D C 0.018 176.358 176.300 0.067 0.000 0.998 142 D CA 0.054 54.087 54.000 0.056 0.000 0.873 142 D CB -0.007 40.798 40.800 0.009 0.000 0.925 142 D HN 0.407 nan 8.370 nan 0.000 0.524 143 F N 2.705 122.650 119.950 -0.007 0.000 2.418 143 F HA 0.207 4.737 4.527 0.005 0.000 0.341 143 F C -1.806 173.993 175.800 -0.001 0.000 1.120 143 F CA -2.427 55.557 58.000 -0.025 0.000 1.232 143 F CB 0.708 39.757 39.000 0.080 0.000 1.175 143 F HN -0.247 nan 8.300 nan 0.000 0.569 144 P HA -0.019 nan 4.420 nan 0.000 0.263 144 P C -0.116 177.191 177.300 0.011 0.000 1.195 144 P CA 0.346 63.303 63.100 -0.239 0.000 0.762 144 P CB 0.717 32.173 31.700 -0.407 0.000 0.799 145 E N 2.879 123.106 120.200 0.045 0.000 2.086 145 E HA -0.275 4.078 4.350 0.005 0.000 0.200 145 E C 2.043 178.696 176.600 0.088 0.000 1.012 145 E CA 1.988 58.440 56.400 0.086 0.000 0.812 145 E CB -0.552 29.177 29.700 0.047 0.000 0.743 145 E HN 0.649 nan 8.360 nan 0.000 0.453 146 Q N 0.125 119.957 119.800 0.053 0.000 2.234 146 Q HA -0.163 4.179 4.340 0.005 0.000 0.206 146 Q C 0.517 176.578 176.000 0.101 0.000 0.980 146 Q CA 1.548 57.385 55.803 0.057 0.000 0.869 146 Q CB 0.073 28.832 28.738 0.034 0.000 0.912 146 Q HN 0.201 nan 8.270 nan 0.000 0.436 147 D N -0.050 120.454 120.400 0.173 0.000 2.469 147 D HA 0.094 4.737 4.640 0.005 0.000 0.215 147 D C 1.267 177.849 176.300 0.470 0.000 1.154 147 D CA -0.185 54.007 54.000 0.320 0.000 0.832 147 D CB 0.264 41.306 40.800 0.403 0.000 1.008 147 D HN 0.267 nan 8.370 nan 0.000 0.506 148 R N 1.273 121.998 120.500 0.375 0.000 2.080 148 R HA -0.153 4.190 4.340 0.005 0.000 0.236 148 R C 1.122 177.415 176.300 -0.012 0.000 1.137 148 R CA 1.654 57.922 56.100 0.281 0.000 0.943 148 R CB 0.187 30.606 30.300 0.199 0.000 0.846 148 R HN -0.081 nan 8.270 nan 0.000 0.431 149 D N 0.485 120.857 120.400 -0.047 0.000 2.117 149 D HA -0.169 4.474 4.640 0.005 0.000 0.197 149 D C 1.837 178.032 176.300 -0.174 0.000 0.987 149 D CA 0.865 54.778 54.000 -0.146 0.000 0.829 149 D CB -0.253 40.480 40.800 -0.111 0.000 0.961 149 D HN 0.187 nan 8.370 nan 0.000 0.460 150 L N -0.219 120.916 121.223 -0.147 0.000 2.046 150 L HA -0.091 4.252 4.340 0.005 0.000 0.208 150 L C 1.953 178.439 176.870 -0.639 0.000 1.077 150 L CA 1.471 56.059 54.840 -0.420 0.000 0.747 150 L CB -0.660 41.155 42.059 -0.406 0.000 0.896 150 L HN -0.124 nan 8.230 nan 0.000 0.432 151 F N -0.220 119.558 119.950 -0.286 0.000 2.234 151 F HA -0.143 4.386 4.527 0.004 0.000 0.299 151 F C 2.563 178.389 175.800 0.042 0.000 1.087 151 F CA 1.280 59.269 58.000 -0.017 0.000 1.340 151 F CB -0.512 38.559 39.000 0.120 0.000 1.031 151 F HN 0.214 nan 8.300 nan 0.000 0.500 152 Q N -0.354 119.420 119.800 -0.043 0.000 2.119 152 Q HA -0.141 4.202 4.340 0.005 0.000 0.201 152 Q C 2.515 178.476 176.000 -0.065 0.000 0.972 152 Q CA 1.292 57.002 55.803 -0.155 0.000 0.847 152 Q CB -0.402 28.049 28.738 -0.479 0.000 0.903 152 Q HN 0.429 nan 8.270 nan 0.000 0.433 153 A N 0.457 123.184 122.820 -0.155 0.000 1.930 153 A HA -0.150 4.173 4.320 0.005 0.000 0.217 153 A C 1.668 179.258 177.584 0.011 0.000 1.175 153 A CA 0.992 52.957 52.037 -0.121 0.000 0.627 153 A CB -0.588 18.285 19.000 -0.212 0.000 0.815 153 A HN 0.264 nan 8.150 nan 0.000 0.443 154 F N 0.104 120.045 119.950 -0.014 0.000 2.171 154 F HA -0.097 4.433 4.527 0.004 0.000 0.300 154 F C 2.383 178.224 175.800 0.069 0.000 1.090 154 F CA 1.327 59.331 58.000 0.007 0.000 1.293 154 F CB -0.595 38.390 39.000 -0.026 0.000 1.013 154 F HN 0.151 nan 8.300 nan 0.000 0.486 155 R N -0.049 120.630 120.500 0.299 0.000 2.276 155 R HA 0.028 4.370 4.340 0.005 0.000 0.203 155 R C 1.128 177.522 176.300 0.156 0.000 1.017 155 R CA 0.599 56.845 56.100 0.243 0.000 1.010 155 R CB -0.186 30.294 30.300 0.301 0.000 0.900 155 R HN 0.290 nan 8.270 nan 0.000 0.469 156 S N -0.562 115.207 115.700 0.115 0.000 2.738 156 S HA 0.106 4.578 4.470 0.005 0.000 0.284 156 S C 0.926 175.569 174.600 0.072 0.000 1.146 156 S CA -0.851 57.391 58.200 0.071 0.000 0.997 156 S CB 1.312 64.531 63.200 0.031 0.000 1.081 156 S HN -0.062 nan 8.310 nan 0.000 0.553 157 Q N -0.127 119.703 119.800 0.050 0.000 2.500 157 Q HA 0.058 4.401 4.340 0.005 0.000 0.213 157 Q C 2.014 178.043 176.000 0.047 0.000 0.974 157 Q CA 1.036 56.867 55.803 0.046 0.000 0.918 157 Q CB -0.861 27.897 28.738 0.032 0.000 0.980 157 Q HN 0.835 nan 8.270 nan 0.000 0.505 158 A N 0.209 123.057 122.820 0.047 0.000 2.119 158 A HA 0.051 4.373 4.320 0.005 0.000 0.217 158 A C 2.231 179.866 177.584 0.085 0.000 1.153 158 A CA 1.087 53.152 52.037 0.046 0.000 0.692 158 A CB -0.573 18.439 19.000 0.020 0.000 0.799 158 A HN 0.408 nan 8.150 nan 0.000 0.458 159 G N 0.007 108.879 108.800 0.120 0.000 2.469 159 G HA2 -0.256 3.707 3.960 0.005 0.000 0.220 159 G HA3 -0.256 3.707 3.960 0.005 0.000 0.220 159 G C 1.336 176.303 174.900 0.112 0.000 1.136 159 G CA 1.303 46.510 45.100 0.178 0.000 0.759 159 G HN 0.536 nan 8.290 nan 0.000 0.562 160 E N 0.021 120.264 120.200 0.071 0.000 2.077 160 E HA -0.060 4.293 4.350 0.005 0.000 0.193 160 E C 2.290 178.918 176.600 0.047 0.000 0.989 160 E CA 1.205 57.633 56.400 0.046 0.000 0.800 160 E CB -0.190 29.531 29.700 0.036 0.000 0.746 160 E HN 0.680 nan 8.360 nan 0.000 0.452 161 E N 0.103 120.334 120.200 0.052 0.000 2.072 161 E HA -0.149 4.204 4.350 0.005 0.000 0.191 161 E C 1.977 178.614 176.600 0.062 0.000 0.985 161 E CA 0.656 57.084 56.400 0.047 0.000 0.801 161 E CB -0.050 29.673 29.700 0.038 0.000 0.750 161 E HN 0.197 nan 8.360 nan 0.000 0.452 162 L N 0.152 121.431 121.223 0.094 0.000 2.046 162 L HA -0.187 4.156 4.340 0.005 0.000 0.208 162 L C 2.350 179.299 176.870 0.132 0.000 1.077 162 L CA 0.944 55.867 54.840 0.138 0.000 0.747 162 L CB -0.174 42.029 42.059 0.240 0.000 0.896 162 L HN 0.124 nan 8.230 nan 0.000 0.432 163 V N -1.020 118.947 119.914 0.088 0.000 2.521 163 V HA -0.078 4.044 4.120 0.005 0.000 0.239 163 V C 2.122 178.212 176.094 -0.008 0.000 1.053 163 V CA 0.651 62.954 62.300 0.004 0.000 1.073 163 V CB -0.056 31.705 31.823 -0.103 0.000 0.746 163 V HN 0.238 nan 8.190 nan 0.000 0.476 164 L N -0.089 121.134 121.223 0.000 0.000 2.093 164 L HA -0.193 4.150 4.340 0.005 0.000 0.208 164 L C 2.487 179.371 176.870 0.023 0.000 1.085 164 L CA 1.907 56.751 54.840 0.006 0.000 0.755 164 L CB -0.403 41.663 42.059 0.012 0.000 0.904 164 L HN 0.435 nan 8.230 nan 0.000 0.435 165 Q N -0.421 119.396 119.800 0.030 0.000 2.200 165 Q HA -0.101 4.242 4.340 0.005 0.000 0.197 165 Q C 1.218 177.240 176.000 0.037 0.000 0.953 165 Q CA 0.882 56.704 55.803 0.032 0.000 0.851 165 Q CB 0.505 29.261 28.738 0.031 0.000 0.938 165 Q HN 0.336 nan 8.270 nan 0.000 0.488 166 D N 0.132 120.558 120.400 0.043 0.000 2.350 166 D HA -0.000 4.642 4.640 0.005 0.000 0.213 166 D C -0.066 176.267 176.300 0.055 0.000 1.031 166 D CA 0.188 54.217 54.000 0.048 0.000 0.861 166 D CB 0.084 40.916 40.800 0.052 0.000 0.926 166 D HN 0.200 nan 8.370 nan 0.000 0.520 167 N N 0.085 118.815 118.700 0.049 0.000 2.721 167 N HA -0.179 4.564 4.740 0.005 0.000 0.249 167 N C 0.779 176.329 175.510 0.067 0.000 1.072 167 N CA 0.183 53.260 53.050 0.044 0.000 0.710 167 N CB -1.296 37.227 38.487 0.059 0.000 0.993 167 N HN 0.008 nan 8.380 nan 0.000 0.547 168 V N -0.666 119.305 119.914 0.095 0.000 2.594 168 V HA -0.198 3.925 4.120 0.005 0.000 0.253 168 V C 1.944 178.116 176.094 0.130 0.000 1.069 168 V CA 1.823 64.200 62.300 0.129 0.000 1.082 168 V CB -0.597 31.344 31.823 0.197 0.000 0.680 168 V HN 0.432 nan 8.190 nan 0.000 0.469 169 F N 0.187 120.112 119.950 -0.043 0.000 2.113 169 F HA -0.123 4.406 4.527 0.004 0.000 0.297 169 F C 2.222 178.004 175.800 -0.030 0.000 1.103 169 F CA 1.584 59.539 58.000 -0.075 0.000 1.248 169 F CB -0.250 38.565 39.000 -0.309 0.000 0.999 169 F HN -0.058 nan 8.300 nan 0.000 0.475 170 V N -0.085 119.944 119.914 0.192 0.000 2.270 170 V HA -0.222 3.901 4.120 0.005 0.000 0.245 170 V C 2.257 178.403 176.094 0.088 0.000 1.043 170 V CA 1.994 64.370 62.300 0.126 0.000 1.014 170 V CB -0.508 31.394 31.823 0.131 0.000 0.645 170 V HN 0.228 nan 8.190 nan 0.000 0.447 171 E N -0.751 119.498 120.200 0.083 0.000 2.216 171 E HA -0.130 4.223 4.350 0.005 0.000 0.192 171 E C 2.001 178.631 176.600 0.050 0.000 0.988 171 E CA 0.868 57.306 56.400 0.063 0.000 0.834 171 E CB 0.219 29.955 29.700 0.061 0.000 0.772 171 E HN 0.653 nan 8.360 nan 0.000 0.479 172 Q N -0.436 119.395 119.800 0.052 0.000 2.619 172 Q HA 0.052 4.395 4.340 0.005 0.000 0.230 172 Q C 2.185 178.210 176.000 0.043 0.000 0.871 172 Q CA 0.159 55.987 55.803 0.042 0.000 0.934 172 Q CB 0.713 29.474 28.738 0.038 0.000 1.183 172 Q HN -0.002 nan 8.270 nan 0.000 0.631 173 V N 1.853 121.778 119.914 0.019 0.000 2.295 173 V HA -0.251 3.871 4.120 0.005 0.000 0.246 173 V C 2.278 178.473 176.094 0.168 0.000 1.049 173 V CA 1.630 63.958 62.300 0.047 0.000 1.024 173 V CB -0.612 31.051 31.823 -0.267 0.000 0.648 173 V HN 0.344 nan 8.190 nan 0.000 0.447 174 L N 1.364 122.623 121.223 0.061 0.000 1.955 174 L HA -0.069 4.274 4.340 0.005 0.000 0.213 174 L C -0.119 176.674 176.870 -0.129 0.000 1.072 174 L CA 2.598 57.295 54.840 -0.238 0.000 0.755 174 L CB -1.910 39.918 42.059 -0.385 0.000 0.888 174 L HN 0.248 nan 8.230 nan 0.000 0.432 175 P HA -0.074 nan 4.420 nan 0.000 0.218 175 P C 1.544 178.880 177.300 0.060 0.000 1.149 175 P CA 1.747 64.849 63.100 0.003 0.000 0.817 175 P CB -0.438 31.273 31.700 0.019 0.000 0.785 176 G N -0.707 108.142 108.800 0.083 0.000 2.498 176 G HA2 -0.153 3.809 3.960 0.005 0.000 0.219 176 G HA3 -0.153 3.809 3.960 0.005 0.000 0.219 176 G C 1.023 176.009 174.900 0.144 0.000 1.119 176 G CA 0.369 45.530 45.100 0.101 0.000 0.766 176 G HN 0.276 nan 8.290 nan 0.000 0.552 177 L N 0.361 121.726 121.223 0.237 0.000 3.017 177 L HA 0.494 4.836 4.340 0.005 0.000 0.255 177 L C -0.353 176.708 176.870 0.317 0.000 1.247 177 L CA -0.169 54.857 54.840 0.309 0.000 1.038 177 L CB 0.443 42.780 42.059 0.464 0.000 1.380 177 L HN 0.046 nan 8.230 nan 0.000 0.548 178 I N -0.445 120.243 120.570 0.197 0.000 2.498 178 I HA 0.154 4.327 4.170 0.005 0.000 0.290 178 I C 0.885 177.052 176.117 0.083 0.000 1.032 178 I CA -0.533 60.849 61.300 0.137 0.000 1.073 178 I CB 2.540 40.596 38.000 0.093 0.000 1.251 178 I HN 0.060 nan 8.210 nan 0.000 0.426 179 L N 4.542 125.800 121.223 0.059 0.000 2.056 179 L HA -0.023 4.320 4.340 0.005 0.000 0.207 179 L C 1.336 178.226 176.870 0.034 0.000 1.078 179 L CA 1.086 55.950 54.840 0.039 0.000 0.749 179 L CB -0.514 41.559 42.059 0.023 0.000 0.901 179 L HN 0.632 nan 8.230 nan 0.000 0.433 180 R N 0.694 121.214 120.500 0.034 0.000 2.532 180 R HA 0.434 4.777 4.340 0.005 0.000 0.272 180 R C -2.605 173.718 176.300 0.038 0.000 1.032 180 R CA -1.822 54.296 56.100 0.031 0.000 1.089 180 R CB -0.423 29.893 30.300 0.027 0.000 1.098 180 R HN -0.195 nan 8.270 nan 0.000 0.526 181 P HA 0.097 nan 4.420 nan 0.000 0.275 181 P C -0.749 176.579 177.300 0.047 0.000 1.227 181 P CA -0.179 62.944 63.100 0.039 0.000 0.781 181 P CB 0.636 32.355 31.700 0.032 0.000 0.906 182 L N 1.687 122.944 121.223 0.057 0.000 2.375 182 L HA 0.317 4.660 4.340 0.005 0.000 0.271 182 L C 1.171 178.081 176.870 0.067 0.000 1.107 182 L CA -0.491 54.395 54.840 0.077 0.000 0.806 182 L CB 0.989 43.112 42.059 0.107 0.000 1.146 182 L HN 0.474 nan 8.230 nan 0.000 0.447 183 S N 0.378 116.119 115.700 0.069 0.000 2.634 183 S HA 0.065 4.538 4.470 0.005 0.000 0.261 183 S C 0.854 175.486 174.600 0.053 0.000 1.271 183 S CA -0.515 57.717 58.200 0.053 0.000 0.985 183 S CB 1.280 64.510 63.200 0.049 0.000 0.968 183 S HN 0.666 nan 8.310 nan 0.000 0.568 184 E N 0.781 121.003 120.200 0.036 0.000 2.110 184 E HA -0.113 4.240 4.350 0.005 0.000 0.193 184 E C 2.231 178.840 176.600 0.015 0.000 0.988 184 E CA 1.460 57.876 56.400 0.026 0.000 0.804 184 E CB -0.796 28.914 29.700 0.017 0.000 0.745 184 E HN 0.779 nan 8.360 nan 0.000 0.458 185 A N 1.157 123.986 122.820 0.016 0.000 1.902 185 A HA -0.200 4.122 4.320 0.005 0.000 0.217 185 A C 2.040 179.614 177.584 -0.016 0.000 1.181 185 A CA 1.677 53.713 52.037 -0.003 0.000 0.623 185 A CB -0.458 18.555 19.000 0.021 0.000 0.818 185 A HN 0.276 nan 8.150 nan 0.000 0.443 186 E N -1.365 118.872 120.200 0.062 0.000 2.047 186 E HA -0.208 4.145 4.350 0.005 0.000 0.191 186 E C 1.968 178.602 176.600 0.057 0.000 0.987 186 E CA 1.493 57.967 56.400 0.124 0.000 0.799 186 E CB -0.249 29.581 29.700 0.218 0.000 0.752 186 E HN 0.551 nan 8.360 nan 0.000 0.449 187 M N 0.867 120.526 119.600 0.097 0.000 2.175 187 M HA -0.044 4.439 4.480 0.005 0.000 0.264 187 M C 2.031 178.352 176.300 0.034 0.000 1.063 187 M CA 1.358 56.731 55.300 0.121 0.000 1.119 187 M CB -0.184 32.469 32.600 0.089 0.000 1.377 187 M HN 0.090 nan 8.290 nan 0.000 0.415 188 A N -0.501 122.298 122.820 -0.036 0.000 1.930 188 A HA 0.069 4.392 4.320 0.005 0.000 0.217 188 A C 2.324 179.797 177.584 -0.184 0.000 1.175 188 A CA 1.755 53.745 52.037 -0.077 0.000 0.627 188 A CB -1.269 17.685 19.000 -0.076 0.000 0.815 188 A HN 0.583 nan 8.150 nan 0.000 0.443 189 A N -1.614 120.983 122.820 -0.372 0.000 1.972 189 A HA -0.040 4.283 4.320 0.005 0.000 0.219 189 A C 2.016 179.251 177.584 -0.581 0.000 1.169 189 A CA 1.508 53.118 52.037 -0.710 0.000 0.635 189 A CB -0.637 17.356 19.000 -1.678 0.000 0.810 189 A HN 0.568 nan 8.150 nan 0.000 0.446 190 Y N -0.578 119.587 120.300 -0.224 0.000 2.365 190 Y HA 0.050 4.603 4.550 0.004 0.000 0.293 190 Y C 2.522 178.420 175.900 -0.002 0.000 1.119 190 Y CA 0.975 59.025 58.100 -0.083 0.000 1.203 190 Y CB -0.191 38.256 38.460 -0.022 0.000 1.026 190 Y HN 0.216 nan 8.280 nan 0.000 0.549 191 R N -0.122 120.449 120.500 0.118 0.000 2.148 191 R HA -0.120 4.223 4.340 0.005 0.000 0.223 191 R C 2.128 178.436 176.300 0.014 0.000 1.088 191 R CA 0.815 56.984 56.100 0.114 0.000 0.985 191 R CB -0.155 30.187 30.300 0.070 0.000 0.880 191 R HN 0.230 nan 8.270 nan 0.000 0.451 192 E N 1.230 121.377 120.200 -0.088 0.000 2.086 192 E HA -0.193 4.160 4.350 0.005 0.000 0.205 192 E C -0.843 175.625 176.600 -0.221 0.000 1.027 192 E CA 1.839 58.154 56.400 -0.143 0.000 0.830 192 E CB -0.899 28.694 29.700 -0.178 0.000 0.751 192 E HN 0.206 nan 8.360 nan 0.000 0.456 193 P HA -0.070 nan 4.420 nan 0.000 0.226 193 P C 0.317 177.151 177.300 -0.778 0.000 1.153 193 P CA 0.985 63.668 63.100 -0.695 0.000 0.777 193 P CB -0.140 30.898 31.700 -1.102 0.000 0.794 194 F N -2.361 117.583 119.950 -0.009 0.000 2.735 194 F HA 0.289 4.819 4.527 0.004 0.000 0.304 194 F C 1.586 177.384 175.800 -0.003 0.000 1.119 194 F CA -0.461 57.534 58.000 -0.010 0.000 1.280 194 F CB -0.977 38.020 39.000 -0.005 0.000 0.994 194 F HN -0.240 nan 8.300 nan 0.000 0.520 195 L N 0.412 121.680 121.223 0.076 0.000 2.079 195 L HA -0.082 4.260 4.340 0.005 0.000 0.210 195 L C 1.608 178.514 176.870 0.059 0.000 1.081 195 L CA 0.829 55.702 54.840 0.056 0.000 0.752 195 L CB -0.498 41.566 42.059 0.008 0.000 0.896 195 L HN 0.185 nan 8.230 nan 0.000 0.433 196 A N 0.352 123.205 122.820 0.056 0.000 2.362 196 A HA 0.575 4.898 4.320 0.005 0.000 0.276 196 A C 0.399 178.020 177.584 0.062 0.000 1.153 196 A CA -0.219 51.847 52.037 0.048 0.000 0.813 196 A CB 0.224 19.245 19.000 0.035 0.000 1.081 196 A HN 0.226 nan 8.150 nan 0.000 0.507 197 A N 2.305 125.153 122.820 0.047 0.000 2.466 197 A HA 0.598 4.921 4.320 0.005 0.000 0.238 197 A C 1.281 178.890 177.584 0.041 0.000 1.074 197 A CA 0.946 53.009 52.037 0.044 0.000 0.774 197 A CB -0.428 18.593 19.000 0.034 0.000 1.015 197 A HN 2.906 nan 8.150 nan 0.000 0.498 198 G N 0.416 109.238 108.800 0.037 0.000 2.482 198 G HA2 -0.129 3.833 3.960 0.005 0.000 0.214 198 G HA3 -0.129 3.833 3.960 0.005 0.000 0.214 198 G C 0.418 175.342 174.900 0.040 0.000 1.271 198 G CA 0.208 45.328 45.100 0.034 0.000 0.944 198 G HN 0.684 nan 8.290 nan 0.000 0.568 199 E N 0.202 120.429 120.200 0.046 0.000 2.267 199 E HA -0.108 4.245 4.350 0.005 0.000 0.197 199 E C 2.831 179.483 176.600 0.086 0.000 0.998 199 E CA 1.808 58.247 56.400 0.065 0.000 0.830 199 E CB -0.672 29.071 29.700 0.070 0.000 0.751 199 E HN 1.038 nan 8.360 nan 0.000 0.491 200 A N 1.043 123.915 122.820 0.087 0.000 2.024 200 A HA -0.184 4.139 4.320 0.005 0.000 0.220 200 A C 2.029 179.727 177.584 0.191 0.000 1.164 200 A CA 1.285 53.394 52.037 0.120 0.000 0.643 200 A CB -0.326 18.735 19.000 0.102 0.000 0.806 200 A HN 0.129 nan 8.150 nan 0.000 0.451 201 R N -1.621 118.945 120.500 0.110 0.000 2.317 201 R HA 0.099 4.442 4.340 0.005 0.000 0.208 201 R C 1.958 178.141 176.300 -0.196 0.000 0.914 201 R CA 0.360 56.448 56.100 -0.020 0.000 1.060 201 R CB -0.058 30.214 30.300 -0.047 0.000 1.015 201 R HN 0.392 nan 8.270 nan 0.000 0.498 202 R N 1.914 122.340 120.500 -0.122 0.000 2.133 202 R HA -0.109 4.234 4.340 0.005 0.000 0.247 202 R C -1.012 175.080 176.300 -0.346 0.000 1.151 202 R CA 1.698 57.712 56.100 -0.144 0.000 0.971 202 R CB -1.148 29.189 30.300 0.062 0.000 0.866 202 R HN 0.124 nan 8.270 nan 0.000 0.447 203 P HA -0.111 nan 4.420 nan 0.000 0.216 203 P C 0.875 177.905 177.300 -0.450 0.000 1.150 203 P CA 2.162 64.841 63.100 -0.701 0.000 0.837 203 P CB -0.273 31.047 31.700 -0.633 0.000 0.786 204 T N -3.769 110.464 114.554 -0.535 0.000 3.072 204 T HA -0.037 4.316 4.350 0.005 0.000 0.266 204 T C 1.480 175.897 174.700 -0.473 0.000 1.127 204 T CA 0.501 62.252 62.100 -0.582 0.000 1.107 204 T CB -0.664 67.736 68.868 -0.781 0.000 0.910 204 T HN -0.051 nan 8.240 nan 0.000 0.513 205 L N 0.459 121.487 121.223 -0.326 0.000 2.388 205 L HA 0.463 4.806 4.340 0.005 0.000 0.209 205 L C 2.409 179.213 176.870 -0.111 0.000 1.061 205 L CA 0.945 55.655 54.840 -0.216 0.000 0.834 205 L CB -0.479 41.496 42.059 -0.140 0.000 1.029 205 L HN 0.125 nan 8.230 nan 0.000 0.473 206 S N -0.854 114.755 115.700 -0.151 0.000 2.402 206 S HA -0.163 4.310 4.470 0.005 0.000 0.229 206 S C 1.605 176.147 174.600 -0.097 0.000 1.021 206 S CA 1.483 59.608 58.200 -0.126 0.000 0.974 206 S CB -0.522 62.570 63.200 -0.180 0.000 0.800 206 S HN 0.582 nan 8.310 nan 0.000 0.484 207 W N 2.335 123.509 121.300 -0.209 0.000 2.354 207 W HA -0.098 4.566 4.660 0.005 0.000 0.315 207 W C -0.668 175.882 176.519 0.052 0.000 1.206 207 W CA 0.568 57.726 57.345 -0.311 0.000 1.290 207 W CB -1.176 28.046 29.460 -0.397 0.000 1.152 207 W HN 0.254 nan 8.180 nan 0.000 0.489 208 P HA -0.131 nan 4.420 nan 0.000 0.220 208 P C 0.757 178.352 177.300 0.492 0.000 1.148 208 P CA 1.533 65.013 63.100 0.633 0.000 0.803 208 P CB -0.214 31.870 31.700 0.641 0.000 0.782 209 R N -0.470 120.221 120.500 0.319 0.000 2.316 209 R HA 0.001 4.344 4.340 0.005 0.000 0.202 209 R C 2.049 178.493 176.300 0.241 0.000 1.029 209 R CA 0.674 56.923 56.100 0.249 0.000 1.018 209 R CB -0.149 30.243 30.300 0.154 0.000 0.888 209 R HN 0.260 nan 8.270 nan 0.000 0.471 210 Q N 0.086 120.067 119.800 0.303 0.000 2.384 210 Q HA 0.150 4.492 4.340 0.005 0.000 0.207 210 Q C 0.484 176.810 176.000 0.544 0.000 0.904 210 Q CA 0.177 56.166 55.803 0.309 0.000 0.933 210 Q CB 0.532 29.342 28.738 0.120 0.000 1.077 210 Q HN 0.319 nan 8.270 nan 0.000 0.522 211 I N 5.054 126.025 120.570 0.669 0.000 2.741 211 I HA -0.054 4.119 4.170 0.005 0.000 0.288 211 I C -1.850 174.393 176.117 0.210 0.000 1.192 211 I CA -1.032 60.576 61.300 0.513 0.000 1.426 211 I CB 0.255 38.453 38.000 0.330 0.000 1.367 211 I HN -0.140 nan 8.210 nan 0.000 0.563 212 P HA 0.270 nan 4.420 nan 0.000 0.268 212 P C -0.704 176.535 177.300 -0.102 0.000 1.541 212 P CA 0.297 63.405 63.100 0.014 0.000 1.093 212 P CB -0.030 31.669 31.700 -0.003 0.000 1.551 213 I N 1.873 122.339 120.570 -0.172 0.000 2.466 213 I HA 0.443 4.616 4.170 0.005 0.000 0.289 213 I C 0.640 176.597 176.117 -0.266 0.000 1.026 213 I CA -1.134 59.941 61.300 -0.375 0.000 1.078 213 I CB 1.967 39.441 38.000 -0.877 0.000 1.249 213 I HN 0.251 nan 8.210 nan 0.000 0.429 214 A N 4.506 127.203 122.820 -0.204 0.000 2.832 214 A HA -0.100 4.223 4.320 0.005 0.000 0.280 214 A C 1.431 179.004 177.584 -0.018 0.000 1.464 214 A CA 1.074 53.075 52.037 -0.060 0.000 0.804 214 A CB -1.945 17.084 19.000 0.049 0.000 1.020 214 A HN 2.022 nan 8.150 nan 0.000 0.563 215 G N -3.438 105.337 108.800 -0.041 0.000 2.162 215 G HA2 -0.017 3.946 3.960 0.005 0.000 0.260 215 G HA3 -0.017 3.946 3.960 0.005 0.000 0.260 215 G C 0.334 175.235 174.900 0.003 0.000 0.976 215 G CA 1.054 46.143 45.100 -0.019 0.000 0.655 215 G HN 2.112 nan 8.290 nan 0.000 0.533 216 T N 2.213 116.774 114.554 0.012 0.000 2.861 216 T HA 0.622 4.974 4.350 0.005 0.000 0.287 216 T C -2.808 171.927 174.700 0.057 0.000 1.003 216 T CA -1.067 61.060 62.100 0.044 0.000 0.977 216 T CB 3.341 72.254 68.868 0.075 0.000 0.996 216 T HN 0.113 nan 8.240 nan 0.000 0.448 217 P HA 0.287 nan 4.420 nan 0.000 0.281 217 P C 0.590 177.918 177.300 0.048 0.000 1.252 217 P CA -0.353 62.789 63.100 0.071 0.000 0.778 217 P CB 0.998 32.752 31.700 0.089 0.000 0.895 218 A N 4.298 127.139 122.820 0.035 0.000 1.986 218 A HA -0.232 4.091 4.320 0.005 0.000 0.220 218 A C 1.806 179.398 177.584 0.014 0.000 1.171 218 A CA 2.103 54.151 52.037 0.018 0.000 0.640 218 A CB -1.120 17.890 19.000 0.017 0.000 0.811 218 A HN 0.649 nan 8.150 nan 0.000 0.451 219 D N 0.102 120.520 120.400 0.030 0.000 2.097 219 D HA -0.120 4.522 4.640 0.005 0.000 0.197 219 D C 1.779 178.086 176.300 0.012 0.000 0.984 219 D CA 1.765 55.784 54.000 0.032 0.000 0.826 219 D CB -1.040 39.793 40.800 0.056 0.000 0.973 219 D HN 0.262 nan 8.370 nan 0.000 0.460 220 V N 0.866 120.790 119.914 0.016 0.000 2.427 220 V HA -0.178 3.945 4.120 0.005 0.000 0.248 220 V C 2.966 179.022 176.094 -0.062 0.000 1.051 220 V CA 1.018 63.293 62.300 -0.042 0.000 1.048 220 V CB -0.354 31.504 31.823 0.059 0.000 0.666 220 V HN 0.092 nan 8.190 nan 0.000 0.456 221 V N 0.597 120.492 119.914 -0.033 0.000 2.287 221 V HA -0.307 3.816 4.120 0.005 0.000 0.248 221 V C 2.764 178.798 176.094 -0.100 0.000 1.053 221 V CA 2.238 64.498 62.300 -0.067 0.000 1.027 221 V CB -1.149 30.647 31.823 -0.045 0.000 0.646 221 V HN 0.569 nan 8.190 nan 0.000 0.447 222 A N -0.240 122.539 122.820 -0.068 0.000 1.908 222 A HA -0.203 4.120 4.320 0.005 0.000 0.218 222 A C 2.171 179.698 177.584 -0.096 0.000 1.181 222 A CA 2.083 54.079 52.037 -0.068 0.000 0.627 222 A CB -0.585 18.397 19.000 -0.031 0.000 0.818 222 A HN 0.523 nan 8.150 nan 0.000 0.445 223 I N -0.301 120.211 120.570 -0.097 0.000 2.179 223 I HA -0.297 3.876 4.170 0.005 0.000 0.242 223 I C 2.938 178.865 176.117 -0.317 0.000 1.088 223 I CA 1.196 62.439 61.300 -0.095 0.000 1.357 223 I CB -0.282 37.675 38.000 -0.072 0.000 1.051 223 I HN 0.359 nan 8.210 nan 0.000 0.409 224 A N 0.501 123.019 122.820 -0.504 0.000 1.930 224 A HA -0.208 4.114 4.320 0.005 0.000 0.217 224 A C 2.419 179.562 177.584 -0.734 0.000 1.175 224 A CA 1.467 52.850 52.037 -1.089 0.000 0.627 224 A CB -0.592 18.093 19.000 -0.524 0.000 0.815 224 A HN 0.359 nan 8.150 nan 0.000 0.443 225 R N -0.173 120.113 120.500 -0.357 0.000 2.091 225 R HA -0.186 4.156 4.340 0.005 0.000 0.238 225 R C 1.380 177.590 176.300 -0.150 0.000 1.136 225 R CA 1.973 57.945 56.100 -0.214 0.000 0.959 225 R CB -0.358 29.859 30.300 -0.139 0.000 0.856 225 R HN 0.423 nan 8.270 nan 0.000 0.437 226 D N -0.171 120.148 120.400 -0.134 0.000 2.084 226 D HA -0.196 4.446 4.640 0.005 0.000 0.194 226 D C 1.812 178.176 176.300 0.107 0.000 0.990 226 D CA 1.762 55.754 54.000 -0.014 0.000 0.826 226 D CB -0.602 40.202 40.800 0.006 0.000 0.971 226 D HN 0.493 nan 8.370 nan 0.000 0.453 227 Y N 0.181 120.559 120.300 0.130 0.000 2.373 227 Y HA 0.265 4.818 4.550 0.005 0.000 0.293 227 Y C 2.116 178.083 175.900 0.111 0.000 1.129 227 Y CA 0.454 58.677 58.100 0.205 0.000 1.226 227 Y CB -1.011 37.604 38.460 0.258 0.000 1.000 227 Y HN -0.069 nan 8.280 nan 0.000 0.549 228 A N 1.658 124.602 122.820 0.207 0.000 1.877 228 A HA -0.015 4.308 4.320 0.005 0.000 0.216 228 A C 2.568 180.265 177.584 0.187 0.000 1.186 228 A CA 1.819 54.015 52.037 0.266 0.000 0.620 228 A CB -1.604 17.501 19.000 0.175 0.000 0.822 228 A HN 0.579 nan 8.150 nan 0.000 0.443 229 G N -1.632 107.240 108.800 0.120 0.000 2.442 229 G HA2 -0.289 3.674 3.960 0.005 0.000 0.219 229 G HA3 -0.289 3.674 3.960 0.005 0.000 0.219 229 G C 1.401 176.323 174.900 0.036 0.000 1.141 229 G CA 1.196 46.350 45.100 0.089 0.000 0.763 229 G HN 0.721 nan 8.290 nan 0.000 0.554 230 W N 1.120 122.361 121.300 -0.099 0.000 2.407 230 W HA 0.105 4.768 4.660 0.004 0.000 0.305 230 W C 2.259 178.601 176.519 -0.296 0.000 1.196 230 W CA 0.984 58.242 57.345 -0.146 0.000 1.311 230 W CB -0.485 28.919 29.460 -0.094 0.000 1.135 230 W HN 0.110 nan 8.180 nan 0.000 0.514 231 L N 1.262 121.952 121.223 -0.889 0.000 2.079 231 L HA -0.276 4.067 4.340 0.005 0.000 0.210 231 L C 2.829 178.841 176.870 -1.430 0.000 1.081 231 L CA 1.968 55.879 54.840 -1.547 0.000 0.752 231 L CB -1.184 39.694 42.059 -1.968 0.000 0.896 231 L HN 0.175 nan 8.230 nan 0.000 0.433 232 S N -1.302 113.774 115.700 -1.040 0.000 2.474 232 S HA -0.164 4.309 4.470 0.005 0.000 0.235 232 S C 1.497 175.860 174.600 -0.395 0.000 0.997 232 S CA 1.075 58.877 58.200 -0.663 0.000 0.949 232 S CB -0.157 62.958 63.200 -0.143 0.000 0.766 232 S HN 0.535 nan 8.310 nan 0.000 0.517 233 E N 0.531 120.465 120.200 -0.443 0.000 2.562 233 E HA 0.238 4.591 4.350 0.005 0.000 0.214 233 E C -0.141 176.243 176.600 -0.360 0.000 0.979 233 E CA -0.235 55.986 56.400 -0.298 0.000 1.002 233 E CB 0.870 30.462 29.700 -0.179 0.000 1.048 233 E HN 0.398 nan 8.360 nan 0.000 0.488 234 S N 2.055 117.390 115.700 -0.608 0.000 2.528 234 S HA 0.122 4.595 4.470 0.005 0.000 0.277 234 S C -1.710 172.698 174.600 -0.320 0.000 1.297 234 S CA -1.413 56.446 58.200 -0.568 0.000 1.052 234 S CB 0.774 63.328 63.200 -1.076 0.000 0.917 234 S HN -0.014 nan 8.310 nan 0.000 0.492 235 P HA 0.154 nan 4.420 nan 0.000 0.249 235 P C 0.128 177.396 177.300 -0.054 0.000 1.229 235 P CA 0.050 63.097 63.100 -0.089 0.000 0.788 235 P CB -0.110 31.561 31.700 -0.047 0.000 1.072 236 I N 2.126 122.652 120.570 -0.075 0.000 2.683 236 I HA 0.026 4.199 4.170 0.005 0.000 0.286 236 I C -1.913 174.231 176.117 0.045 0.000 1.175 236 I CA -1.913 59.388 61.300 0.001 0.000 1.429 236 I CB -0.135 37.882 38.000 0.027 0.000 1.371 236 I HN -0.201 nan 8.210 nan 0.000 0.569 237 P HA 0.063 nan 4.420 nan 0.000 0.265 237 P C -1.217 176.315 177.300 0.387 0.000 1.193 237 P CA 0.246 63.478 63.100 0.220 0.000 0.765 237 P CB 0.433 32.224 31.700 0.153 0.000 0.823 238 K N 2.174 122.780 120.400 0.343 0.000 2.435 238 K HA 0.691 5.014 4.320 0.005 0.000 0.251 238 K C -1.290 175.257 176.600 -0.088 0.000 0.954 238 K CA -1.026 55.419 56.287 0.265 0.000 0.820 238 K CB 1.944 34.630 32.500 0.309 0.000 1.292 238 K HN 0.186 nan 8.250 nan 0.000 0.436 239 L N 2.565 123.548 121.223 -0.401 0.000 2.372 239 L HA 0.451 4.794 4.340 0.005 0.000 0.273 239 L C -1.647 175.006 176.870 -0.362 0.000 0.989 239 L CA -0.542 53.925 54.840 -0.621 0.000 0.841 239 L CB 1.013 42.322 42.059 -1.251 0.000 1.225 239 L HN 0.571 nan 8.230 nan 0.000 0.414 240 F N 6.936 126.576 119.950 -0.516 0.000 2.350 240 F HA 0.540 5.070 4.527 0.005 0.000 0.365 240 F C -0.522 174.965 175.800 -0.521 0.000 1.122 240 F CA -1.473 56.039 58.000 -0.813 0.000 1.139 240 F CB 0.491 39.149 39.000 -0.570 0.000 1.220 240 F HN 0.373 nan 8.300 nan 0.000 0.499 241 I N 6.295 126.568 120.570 -0.495 0.000 2.269 241 I HA 0.108 4.280 4.170 0.005 0.000 0.293 241 I C 0.128 175.862 176.117 -0.639 0.000 1.106 241 I CA -0.393 60.620 61.300 -0.479 0.000 1.248 241 I CB 0.002 37.855 38.000 -0.243 0.000 1.444 241 I HN 0.533 nan 8.210 nan 0.000 0.497 242 N N 4.987 123.065 118.700 -1.037 0.000 2.467 242 N HA 0.613 5.356 4.740 0.005 0.000 0.262 242 N C -0.759 174.506 175.510 -0.408 0.000 1.234 242 N CA -0.178 52.298 53.050 -0.957 0.000 0.952 242 N CB 1.150 38.974 38.487 -1.105 0.000 1.158 242 N HN 0.618 nan 8.380 nan 0.000 0.463 243 A N 1.373 124.053 122.820 -0.233 0.000 2.435 243 A HA 0.629 4.951 4.320 0.005 0.000 0.304 243 A C -1.288 176.235 177.584 -0.102 0.000 1.064 243 A CA -0.669 51.281 52.037 -0.145 0.000 0.727 243 A CB 1.266 20.207 19.000 -0.098 0.000 1.284 243 A HN 0.623 nan 8.150 nan 0.000 0.415 244 E N 2.044 122.192 120.200 -0.086 0.000 2.246 244 E HA 0.325 4.678 4.350 0.005 0.000 0.266 244 E C -2.219 174.354 176.600 -0.045 0.000 0.880 244 E CA -1.592 54.771 56.400 -0.062 0.000 0.762 244 E CB 2.357 32.019 29.700 -0.064 0.000 1.180 244 E HN 0.449 nan 8.360 nan 0.000 0.416 245 P HA -0.036 nan 4.420 nan 0.000 0.233 245 P C 0.667 177.947 177.300 -0.034 0.000 1.167 245 P CA 0.928 64.009 63.100 -0.031 0.000 0.770 245 P CB 0.611 32.297 31.700 -0.022 0.000 0.837 246 G N -0.164 108.615 108.800 -0.034 0.000 2.750 246 G HA2 -0.000 3.962 3.960 0.005 0.000 0.228 246 G HA3 -0.000 3.962 3.960 0.005 0.000 0.228 246 G C 0.321 175.200 174.900 -0.034 0.000 1.367 246 G CA -0.010 45.072 45.100 -0.029 0.000 0.871 246 G HN 0.538 nan 8.290 nan 0.000 0.560 247 A N -2.912 119.883 122.820 -0.043 0.000 1.687 247 A HA 0.639 4.962 4.320 0.005 0.000 0.158 247 A C 1.847 179.317 177.584 -0.190 0.000 1.516 247 A CA 1.427 53.393 52.037 -0.117 0.000 1.427 247 A CB -0.524 18.406 19.000 -0.117 0.000 1.263 247 A HN 1.909 nan 8.150 nan 0.000 0.837 248 L N 1.003 122.124 121.223 -0.169 0.000 2.162 248 L HA 0.234 4.577 4.340 0.005 0.000 0.205 248 L C 0.644 177.458 176.870 -0.093 0.000 1.086 248 L CA 2.218 56.924 54.840 -0.223 0.000 0.778 248 L CB -0.183 41.736 42.059 -0.234 0.000 0.928 248 L HN 0.311 nan 8.230 nan 0.000 0.446 249 T N 1.323 115.874 114.554 -0.005 0.000 3.598 249 T HA 0.386 4.739 4.350 0.005 0.000 0.343 249 T C 0.071 174.807 174.700 0.060 0.000 1.697 249 T CA 0.257 62.388 62.100 0.052 0.000 1.247 249 T CB -0.705 68.258 68.868 0.158 0.000 1.210 249 T HN 0.529 nan 8.240 nan 0.000 0.820 250 T N -1.782 112.776 114.554 0.007 0.000 2.778 250 T HA 0.798 5.151 4.350 0.005 0.000 0.293 250 T C 0.832 175.528 174.700 -0.006 0.000 1.144 250 T CA -0.184 61.919 62.100 0.004 0.000 1.010 250 T CB 1.462 70.315 68.868 -0.025 0.000 1.325 250 T HN 0.518 nan 8.240 nan 0.000 0.515 251 G N 1.172 109.970 108.800 -0.003 0.000 2.652 251 G HA2 -0.347 3.615 3.960 0.005 0.000 0.318 251 G HA3 -0.347 3.615 3.960 0.005 0.000 0.318 251 G C 0.962 175.862 174.900 0.001 0.000 1.295 251 G CA 0.911 46.009 45.100 -0.003 0.000 0.999 251 G HN 0.962 nan 8.290 nan 0.000 0.548 252 R N -0.686 119.814 120.500 -0.001 0.000 2.091 252 R HA -0.037 4.306 4.340 0.005 0.000 0.238 252 R C 2.862 179.174 176.300 0.019 0.000 1.136 252 R CA 1.856 57.959 56.100 0.004 0.000 0.959 252 R CB -0.389 29.905 30.300 -0.011 0.000 0.856 252 R HN 0.599 nan 8.270 nan 0.000 0.437 253 M N 0.198 119.802 119.600 0.008 0.000 2.159 253 M HA -0.207 4.276 4.480 0.005 0.000 0.263 253 M C 2.369 178.649 176.300 -0.032 0.000 1.063 253 M CA 1.567 56.883 55.300 0.028 0.000 1.110 253 M CB -0.097 32.509 32.600 0.010 0.000 1.374 253 M HN -0.016 nan 8.290 nan 0.000 0.411 254 R N 0.209 120.686 120.500 -0.039 0.000 2.075 254 R HA -0.168 4.175 4.340 0.005 0.000 0.232 254 R C 1.479 177.710 176.300 -0.114 0.000 1.126 254 R CA 2.152 58.210 56.100 -0.069 0.000 0.963 254 R CB -0.221 30.115 30.300 0.061 0.000 0.858 254 R HN 0.373 nan 8.270 nan 0.000 0.435 255 D N 0.025 120.401 120.400 -0.040 0.000 2.123 255 D HA -0.200 4.443 4.640 0.005 0.000 0.196 255 D C 1.559 177.825 176.300 -0.056 0.000 0.992 255 D CA 1.100 55.082 54.000 -0.030 0.000 0.833 255 D CB -0.367 40.441 40.800 0.013 0.000 0.954 255 D HN 0.201 nan 8.370 nan 0.000 0.455 256 F N 1.647 121.482 119.950 -0.191 0.000 2.075 256 F HA -0.227 4.304 4.527 0.006 0.000 0.297 256 F C 2.279 177.768 175.800 -0.519 0.000 1.113 256 F CA 0.913 58.791 58.000 -0.205 0.000 1.218 256 F CB -0.675 38.254 39.000 -0.119 0.000 0.984 256 F HN -0.013 nan 8.300 nan 0.000 0.472 257 C N 0.983 119.648 119.300 -1.060 0.000 2.413 257 C HA -0.165 4.298 4.460 0.005 0.000 0.277 257 C C 2.713 177.005 174.990 -1.165 0.000 1.265 257 C CA 1.052 58.942 59.018 -1.881 0.000 1.752 257 C CB -1.450 25.310 27.740 -1.634 0.000 1.998 257 C HN 0.413 nan 8.230 nan 0.000 0.489 258 R N 0.627 120.765 120.500 -0.604 0.000 2.285 258 R HA -0.096 4.247 4.340 0.005 0.000 0.213 258 R C 2.013 178.196 176.300 -0.194 0.000 1.068 258 R CA 1.649 57.589 56.100 -0.266 0.000 1.004 258 R CB -0.411 29.832 30.300 -0.094 0.000 0.873 258 R HN 0.795 nan 8.270 nan 0.000 0.467 259 T N -3.142 111.254 114.554 -0.263 0.000 3.081 259 T HA 0.010 4.363 4.350 0.005 0.000 0.250 259 T C 0.340 175.047 174.700 0.010 0.000 1.100 259 T CA -0.438 61.606 62.100 -0.093 0.000 1.038 259 T CB 0.057 68.905 68.868 -0.032 0.000 0.962 259 T HN 0.030 nan 8.240 nan 0.000 0.516 260 W N 3.910 125.020 121.300 -0.316 0.000 2.181 260 W HA 0.383 5.045 4.660 0.003 0.000 0.335 260 W C -2.268 174.139 176.519 -0.187 0.000 1.310 260 W CA -2.954 54.203 57.345 -0.314 0.000 1.226 260 W CB -0.281 28.949 29.460 -0.383 0.000 1.155 260 W HN 0.111 nan 8.180 nan 0.000 0.565 261 P HA 0.012 nan 4.420 nan 0.000 0.276 261 P C 0.073 177.382 177.300 0.015 0.000 1.244 261 P CA -0.295 62.802 63.100 -0.005 0.000 0.801 261 P CB 0.689 32.356 31.700 -0.055 0.000 1.006 262 N N -0.608 118.108 118.700 0.026 0.000 2.738 262 N HA -0.213 4.530 4.740 0.005 0.000 0.249 262 N C -0.618 174.948 175.510 0.094 0.000 1.047 262 N CA 0.878 53.958 53.050 0.050 0.000 0.707 262 N CB -1.286 37.224 38.487 0.038 0.000 0.937 262 N HN 0.661 nan 8.380 nan 0.000 0.545 263 Q N -0.135 119.717 119.800 0.088 0.000 2.365 263 Q HA 0.550 4.893 4.340 0.005 0.000 0.269 263 Q C -0.946 175.092 176.000 0.063 0.000 1.061 263 Q CA -0.562 55.303 55.803 0.102 0.000 0.816 263 Q CB 1.213 30.030 28.738 0.132 0.000 1.325 263 Q HN 0.248 nan 8.270 nan 0.000 0.446 264 T N 2.669 117.237 114.554 0.023 0.000 2.895 264 T HA 0.410 4.763 4.350 0.005 0.000 0.283 264 T C -1.138 173.520 174.700 -0.069 0.000 1.014 264 T CA -0.588 61.500 62.100 -0.020 0.000 1.037 264 T CB 1.412 70.262 68.868 -0.029 0.000 1.006 264 T HN 0.597 nan 8.240 nan 0.000 0.468 265 E N 2.127 122.278 120.200 -0.081 0.000 2.293 265 E HA 0.670 5.023 4.350 0.005 0.000 0.270 265 E C -1.270 175.206 176.600 -0.207 0.000 0.879 265 E CA -0.878 55.426 56.400 -0.160 0.000 0.756 265 E CB 1.328 30.965 29.700 -0.105 0.000 1.208 265 E HN 0.690 nan 8.360 nan 0.000 0.428 266 I N -0.724 119.664 120.570 -0.305 0.000 2.969 266 I HA 0.602 4.775 4.170 0.005 0.000 0.307 266 I C -1.018 174.895 176.117 -0.339 0.000 1.149 266 I CA -0.689 60.460 61.300 -0.252 0.000 1.008 266 I CB 2.584 40.465 38.000 -0.198 0.000 1.232 266 I HN 0.253 nan 8.210 nan 0.000 0.435 267 T N 3.892 118.291 114.554 -0.258 0.000 2.829 267 T HA 0.675 5.027 4.350 0.005 0.000 0.280 267 T C -0.345 174.243 174.700 -0.186 0.000 0.999 267 T CA -0.564 61.380 62.100 -0.260 0.000 0.983 267 T CB 1.803 70.546 68.868 -0.209 0.000 0.968 267 T HN 0.731 nan 8.240 nan 0.000 0.446 268 V N -0.041 119.766 119.914 -0.179 0.000 3.074 268 V HA 1.013 5.136 4.120 0.005 0.000 0.314 268 V C -0.147 175.883 176.094 -0.107 0.000 1.117 268 V CA -1.596 60.626 62.300 -0.130 0.000 1.014 268 V CB 1.400 33.147 31.823 -0.127 0.000 1.057 268 V HN 1.027 nan 8.190 nan 0.000 0.438 269 A N 0.915 123.687 122.820 -0.079 0.000 2.401 269 A HA 0.915 5.238 4.320 0.005 0.000 0.259 269 A C 0.605 178.156 177.584 -0.056 0.000 1.103 269 A CA 0.498 52.499 52.037 -0.060 0.000 0.789 269 A CB -0.120 18.855 19.000 -0.043 0.000 1.035 269 A HN 2.606 nan 8.150 nan 0.000 0.491 270 G N -0.887 107.885 108.800 -0.046 0.000 2.328 270 G HA2 0.629 4.592 3.960 0.005 0.000 0.299 270 G HA3 0.629 4.592 3.960 0.005 0.000 0.299 270 G C -0.220 174.666 174.900 -0.023 0.000 1.435 270 G CA 0.057 45.136 45.100 -0.034 0.000 0.865 270 G HN 1.469 nan 8.290 nan 0.000 0.601 271 A N -0.536 122.286 122.820 0.003 0.000 2.930 271 A HA 0.611 4.934 4.320 0.005 0.000 0.213 271 A C 1.518 179.112 177.584 0.018 0.000 2.276 271 A CA 1.658 53.706 52.037 0.018 0.000 1.182 271 A CB -0.514 18.521 19.000 0.059 0.000 1.301 271 A HN 1.204 nan 8.150 nan 0.000 0.481 272 H N -1.598 117.418 119.070 -0.089 0.000 2.393 272 H HA 0.323 4.882 4.556 0.005 0.000 0.307 272 H C -0.239 174.923 175.328 -0.276 0.000 1.038 272 H CA 0.409 56.305 56.048 -0.252 0.000 1.351 272 H CB -0.008 29.459 29.762 -0.491 0.000 1.464 272 H HN 0.312 nan 8.280 nan 0.000 0.575 273 F N 2.877 122.803 119.950 -0.041 0.000 2.669 273 F HA 0.156 4.685 4.527 0.004 0.000 0.353 273 F C 1.569 177.228 175.800 -0.235 0.000 1.192 273 F CA -0.272 57.603 58.000 -0.208 0.000 1.317 273 F CB -0.415 38.528 39.000 -0.096 0.000 1.652 273 F HN 0.290 nan 8.300 nan 0.000 0.608 274 I N -2.095 118.356 120.570 -0.198 0.000 2.700 274 I HA -0.270 3.903 4.170 0.005 0.000 0.261 274 I C 1.605 177.637 176.117 -0.143 0.000 1.219 274 I CA 1.318 62.533 61.300 -0.142 0.000 1.463 274 I CB -0.249 37.662 38.000 -0.149 0.000 1.092 274 I HN 0.248 nan 8.210 nan 0.000 0.452 275 Q N 1.346 121.010 119.800 -0.227 0.000 2.291 275 Q HA -0.113 4.230 4.340 0.005 0.000 0.206 275 Q C 1.887 177.827 176.000 -0.100 0.000 0.976 275 Q CA 1.239 56.930 55.803 -0.187 0.000 0.875 275 Q CB -0.207 28.324 28.738 -0.344 0.000 0.927 275 Q HN 0.570 nan 8.270 nan 0.000 0.450 276 E N -0.021 120.145 120.200 -0.056 0.000 2.442 276 E HA -0.056 4.297 4.350 0.005 0.000 0.195 276 E C 0.560 177.159 176.600 -0.001 0.000 1.030 276 E CA 0.510 56.907 56.400 -0.005 0.000 0.869 276 E CB 0.320 30.047 29.700 0.045 0.000 0.857 276 E HN 0.426 nan 8.360 nan 0.000 0.505 277 D N -0.394 119.996 120.400 -0.016 0.000 2.394 277 D HA 0.077 4.720 4.640 0.005 0.000 0.226 277 D C 0.261 176.546 176.300 -0.025 0.000 0.990 277 D CA 0.466 54.458 54.000 -0.013 0.000 0.902 277 D CB 0.558 41.351 40.800 -0.011 0.000 1.038 277 D HN -0.129 nan 8.370 nan 0.000 0.499 278 S N 1.625 117.299 115.700 -0.043 0.000 2.474 278 S HA 0.167 4.640 4.470 0.005 0.000 0.224 278 S C -1.863 172.701 174.600 -0.060 0.000 1.209 278 S CA -0.798 57.372 58.200 -0.050 0.000 1.212 278 S CB 1.761 64.921 63.200 -0.066 0.000 1.137 278 S HN 0.104 nan 8.310 nan 0.000 0.446 279 P HA -0.135 nan 4.420 nan 0.000 0.215 279 P C 0.602 177.847 177.300 -0.091 0.000 1.153 279 P CA 1.351 64.427 63.100 -0.040 0.000 0.853 279 P CB 0.191 31.886 31.700 -0.009 0.000 0.788 280 D N 0.090 120.461 120.400 -0.048 0.000 2.144 280 D HA -0.122 4.521 4.640 0.005 0.000 0.200 280 D C 1.952 178.096 176.300 -0.260 0.000 0.978 280 D CA 1.090 55.028 54.000 -0.103 0.000 0.833 280 D CB -0.381 40.482 40.800 0.105 0.000 0.961 280 D HN 0.230 nan 8.370 nan 0.000 0.470 281 E N 0.470 120.585 120.200 -0.141 0.000 2.106 281 E HA -0.054 4.299 4.350 0.005 0.000 0.192 281 E C 2.262 178.759 176.600 -0.171 0.000 0.984 281 E CA 0.348 56.668 56.400 -0.133 0.000 0.806 281 E CB -0.106 29.538 29.700 -0.094 0.000 0.750 281 E HN 0.323 nan 8.360 nan 0.000 0.458 282 I N 0.322 120.792 120.570 -0.166 0.000 2.163 282 I HA -0.182 3.991 4.170 0.005 0.000 0.240 282 I C 2.406 178.427 176.117 -0.160 0.000 1.081 282 I CA 1.340 62.564 61.300 -0.126 0.000 1.353 282 I CB -0.625 37.343 38.000 -0.054 0.000 1.054 282 I HN 0.211 nan 8.210 nan 0.000 0.407 283 G N 0.409 109.016 108.800 -0.322 0.000 2.418 283 G HA2 -0.239 3.723 3.960 0.005 0.000 0.217 283 G HA3 -0.239 3.723 3.960 0.005 0.000 0.217 283 G C 1.840 176.529 174.900 -0.351 0.000 1.158 283 G CA 0.834 45.689 45.100 -0.408 0.000 0.771 283 G HN 0.495 nan 8.290 nan 0.000 0.545 284 A N 0.991 123.536 122.820 -0.458 0.000 1.930 284 A HA 0.323 4.646 4.320 0.005 0.000 0.217 284 A C 2.764 180.331 177.584 -0.028 0.000 1.175 284 A CA 2.121 54.103 52.037 -0.093 0.000 0.627 284 A CB -0.603 18.374 19.000 -0.038 0.000 0.815 284 A HN 0.720 nan 8.150 nan 0.000 0.443 285 A N -0.156 122.622 122.820 -0.069 0.000 1.929 285 A HA 0.023 4.346 4.320 0.005 0.000 0.216 285 A C 2.073 179.668 177.584 0.018 0.000 1.176 285 A CA 1.291 53.306 52.037 -0.038 0.000 0.628 285 A CB -0.528 18.415 19.000 -0.095 0.000 0.816 285 A HN 0.466 nan 8.150 nan 0.000 0.444 286 I N -0.087 120.493 120.570 0.017 0.000 2.226 286 I HA -0.285 3.887 4.170 0.005 0.000 0.245 286 I C 2.958 179.173 176.117 0.163 0.000 1.100 286 I CA 1.055 62.417 61.300 0.104 0.000 1.374 286 I CB -0.288 37.761 38.000 0.082 0.000 1.057 286 I HN 0.352 nan 8.210 nan 0.000 0.413 287 A N 0.721 123.614 122.820 0.122 0.000 1.902 287 A HA -0.181 4.142 4.320 0.005 0.000 0.217 287 A C 2.548 180.196 177.584 0.107 0.000 1.181 287 A CA 1.906 54.015 52.037 0.120 0.000 0.623 287 A CB -0.894 18.188 19.000 0.136 0.000 0.818 287 A HN 0.430 nan 8.150 nan 0.000 0.443 288 A N -1.235 121.649 122.820 0.107 0.000 1.933 288 A HA -0.044 4.278 4.320 0.005 0.000 0.218 288 A C 2.034 179.706 177.584 0.146 0.000 1.175 288 A CA 1.669 53.766 52.037 0.099 0.000 0.628 288 A CB -0.701 18.346 19.000 0.078 0.000 0.814 288 A HN 0.689 nan 8.150 nan 0.000 0.444 289 F N 0.851 120.797 119.950 -0.005 0.000 2.102 289 F HA -0.141 4.387 4.527 0.002 0.000 0.298 289 F C 2.227 178.023 175.800 -0.006 0.000 1.105 289 F CA 1.920 59.916 58.000 -0.006 0.000 1.239 289 F CB -0.508 38.484 39.000 -0.012 0.000 0.991 289 F HN 0.019 nan 8.300 nan 0.000 0.474 290 V N 0.964 120.867 119.914 -0.018 0.000 2.407 290 V HA -0.271 3.852 4.120 0.005 0.000 0.248 290 V C 2.510 178.540 176.094 -0.106 0.000 1.055 290 V CA 2.106 64.315 62.300 -0.150 0.000 1.049 290 V CB -0.723 31.072 31.823 -0.046 0.000 0.662 290 V HN 0.278 nan 8.190 nan 0.000 0.455 291 R N -0.352 120.129 120.500 -0.032 0.000 2.120 291 R HA -0.097 4.245 4.340 0.005 0.000 0.234 291 R C 2.545 178.821 176.300 -0.040 0.000 1.123 291 R CA 1.256 57.344 56.100 -0.021 0.000 0.975 291 R CB -0.273 30.033 30.300 0.011 0.000 0.866 291 R HN 0.476 nan 8.270 nan 0.000 0.446 292 R N 0.377 120.848 120.500 -0.048 0.000 2.075 292 R HA -0.030 4.313 4.340 0.005 0.000 0.232 292 R C 2.235 178.475 176.300 -0.100 0.000 1.126 292 R CA 1.059 57.129 56.100 -0.050 0.000 0.963 292 R CB -0.215 30.075 30.300 -0.017 0.000 0.858 292 R HN 0.185 nan 8.270 nan 0.000 0.435 293 L N 0.090 121.198 121.223 -0.192 0.000 2.201 293 L HA -0.094 4.249 4.340 0.005 0.000 0.212 293 L C 0.855 177.649 176.870 -0.127 0.000 1.105 293 L CA 1.171 55.887 54.840 -0.207 0.000 0.775 293 L CB -0.046 41.797 42.059 -0.360 0.000 0.913 293 L HN 0.053 nan 8.230 nan 0.000 0.440 294 R N 0.512 120.951 120.500 -0.102 0.000 2.835 294 R HA 0.235 4.578 4.340 0.005 0.000 0.290 294 R C -2.320 173.955 176.300 -0.041 0.000 1.410 294 R CA -1.520 54.541 56.100 -0.065 0.000 1.590 294 R CB 0.238 30.501 30.300 -0.061 0.000 1.288 294 R HN -0.005 nan 8.270 nan 0.000 0.637 295 P HA -0.040 nan 4.420 nan 0.000 0.258 295 P C -0.318 176.973 177.300 -0.015 0.000 1.187 295 P CA 0.421 63.507 63.100 -0.022 0.000 0.767 295 P CB 0.962 32.650 31.700 -0.020 0.000 0.770 296 A N 0.000 122.814 122.820 -0.010 0.000 2.254 296 A HA 0.000 4.323 4.320 0.005 0.000 0.244 296 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 296 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 296 A HN 0.000 nan 8.150 nan 0.000 0.486