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 3lpg_1_B DATA FIRST_RESID -1 DATA SEQUENCE SHXLRPVETP TREIKKLDGL WAFSLDRENC GIDQRWWESA LQESRAIAVP DATA SEQUENCE GSFNDQFADA DIRNYAGNVW YQREVFIPKG WAGQRIVLRF DAVTHYGKVW DATA SEQUENCE VNNQEVXEHQ GGYTPFEADV TPYVIAGKSV RITVCVNNEL NWQTIPPGXV DATA SEQUENCE ITDENGKKKQ SYFHDFFNYA GIHRSVXLYT TPNTWVDDIT VVTHVAQDCN DATA SEQUENCE HASVDWQVVA NGDVSVELRD ADQQVVATGQ GTSGTLQVVN PHLWQPGEGY DATA SEQUENCE LYELCVTAKS QTECDIYPLR VGIRSVAVKG EQFLINHKPF YFTGFGRHED DATA SEQUENCE ADLRGKGFDN VLXVHDHALX DWIGANSYRT SHYPYAEEXL DWADEHGIVV DATA SEQUENCE IDETAAVGFN LSLGIGFEAG NKPKELYSEE AVNGETQQAH LQAIKELIAR DATA SEQUENCE DKNHPSVVXW SIANEPDTRP QGAREYFAPL AEATRKLDPT RPITCVNVXF DATA SEQUENCE CDAHTDTISD LFDVLCLNRY YGWYVQSGDL ETAEKVLEKE LLAWQEKLHQ DATA SEQUENCE PIIITEYGVD TLAGLHSXYT DXWSEEYQCA WLDXYHRVFD RVSAVVGEQV DATA SEQUENCE WNFADFATSQ GILRVGGNKK GIFTRDRKPK SAAFLLQKRW TGXNFGEKPQ DATA SEQUENCE QGG 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.596 174.600 -0.006 0.000 1.055 -1 S CA 0.000 58.254 58.200 0.090 0.000 1.107 -1 S CB 0.000 63.320 63.200 0.200 0.000 0.593 3 R N 3.820 124.396 120.500 0.126 0.000 2.404 3 R HA 0.253 4.609 4.340 0.028 0.000 0.315 3 R C -2.367 173.961 176.300 0.046 0.000 1.032 3 R CA -0.682 55.465 56.100 0.077 0.000 0.992 3 R CB 0.475 30.842 30.300 0.111 0.000 0.959 3 R HN 0.115 nan 8.270 nan 0.000 0.428 4 P HA 0.007 nan 4.420 nan 0.000 0.266 4 P C -1.036 176.157 177.300 -0.179 0.000 1.215 4 P CA -0.047 62.857 63.100 -0.326 0.000 0.763 4 P CB 0.939 32.179 31.700 -0.766 0.000 0.806 5 V N 2.927 122.748 119.914 -0.156 0.000 3.155 5 V HA 0.320 4.457 4.120 0.028 0.000 0.313 5 V C 0.993 177.024 176.094 -0.105 0.000 1.162 5 V CA -0.625 61.574 62.300 -0.168 0.000 1.048 5 V CB 2.071 33.711 31.823 -0.306 0.000 1.092 5 V HN 0.406 nan 8.190 nan 0.000 0.447 6 E N -0.332 119.821 120.200 -0.078 0.000 2.465 6 E HA 0.054 4.421 4.350 0.028 0.000 0.195 6 E C 1.331 177.930 176.600 -0.001 0.000 1.028 6 E CA 0.265 56.649 56.400 -0.027 0.000 0.899 6 E CB 0.755 30.455 29.700 -0.000 0.000 1.032 6 E HN 0.839 nan 8.360 nan 0.000 0.468 7 T N 1.718 116.265 114.554 -0.013 0.000 2.588 7 T HA -0.061 4.306 4.350 0.028 0.000 0.261 7 T C -0.926 173.789 174.700 0.025 0.000 1.069 7 T CA 1.017 63.121 62.100 0.008 0.000 1.172 7 T CB -0.443 68.421 68.868 -0.007 0.000 0.863 7 T HN 0.077 nan 8.240 nan 0.000 0.408 8 P HA 0.339 nan 4.420 nan 0.000 0.261 8 P C -0.501 176.812 177.300 0.021 0.000 1.352 8 P CA 0.188 63.308 63.100 0.032 0.000 0.891 8 P CB 0.362 32.089 31.700 0.045 0.000 1.383 9 T N 0.287 114.859 114.554 0.030 0.000 2.893 9 T HA 0.559 4.925 4.350 0.028 0.000 0.291 9 T C -0.481 174.239 174.700 0.033 0.000 1.028 9 T CA -0.585 61.530 62.100 0.025 0.000 0.995 9 T CB 1.993 70.922 68.868 0.102 0.000 1.051 9 T HN -0.166 nan 8.240 nan 0.000 0.470 10 R N 1.602 122.112 120.500 0.017 0.000 2.584 10 R HA 0.440 4.797 4.340 0.028 0.000 0.276 10 R C -1.412 175.015 176.300 0.212 0.000 1.046 10 R CA -0.835 55.345 56.100 0.133 0.000 0.906 10 R CB 2.212 32.666 30.300 0.257 0.000 1.215 10 R HN 0.539 nan 8.270 nan 0.000 0.449 11 E N 2.138 122.482 120.200 0.241 0.000 2.166 11 E HA 0.349 4.716 4.350 0.028 0.000 0.275 11 E C -0.809 175.976 176.600 0.309 0.000 0.941 11 E CA -0.498 56.071 56.400 0.282 0.000 0.784 11 E CB 2.318 32.111 29.700 0.154 0.000 1.115 11 E HN 0.375 nan 8.360 nan 0.000 0.399 12 I N 2.846 123.639 120.570 0.370 0.000 2.306 12 I HA 0.182 4.369 4.170 0.028 0.000 0.288 12 I C -0.530 175.682 176.117 0.158 0.000 1.036 12 I CA -0.667 60.751 61.300 0.197 0.000 1.221 12 I CB 0.285 38.338 38.000 0.089 0.000 1.385 12 I HN 0.254 nan 8.210 nan 0.000 0.472 13 K N 7.437 127.907 120.400 0.117 0.000 2.416 13 K HA 0.114 4.451 4.320 0.028 0.000 0.283 13 K C 0.452 177.118 176.600 0.110 0.000 1.037 13 K CA -0.263 56.085 56.287 0.102 0.000 0.995 13 K CB 0.865 33.418 32.500 0.088 0.000 0.938 13 K HN 0.517 nan 8.250 nan 0.000 0.475 14 K N 2.426 122.903 120.400 0.128 0.000 2.444 14 K HA 0.019 4.356 4.320 0.028 0.000 0.193 14 K C 0.450 177.249 176.600 0.332 0.000 1.024 14 K CA 0.019 56.416 56.287 0.185 0.000 1.077 14 K CB 0.042 32.665 32.500 0.205 0.000 0.833 14 K HN 0.301 nan 8.250 nan 0.000 0.517 15 L N 2.802 124.165 121.223 0.233 0.000 2.391 15 L HA 0.077 4.434 4.340 0.028 0.000 0.249 15 L C -1.062 175.938 176.870 0.216 0.000 1.308 15 L CA 0.352 55.334 54.840 0.235 0.000 1.209 15 L CB -0.575 41.572 42.059 0.147 0.000 1.401 15 L HN -0.076 nan 8.230 nan 0.000 0.416 16 D N 1.270 121.834 120.400 0.274 0.000 2.481 16 D HA 0.501 5.157 4.640 0.028 0.000 0.246 16 D C 0.483 176.961 176.300 0.295 0.000 1.109 16 D CA -0.135 53.977 54.000 0.186 0.000 0.845 16 D CB 1.522 42.391 40.800 0.115 0.000 1.160 16 D HN 0.378 nan 8.370 nan 0.000 0.534 17 G N 1.499 110.441 108.800 0.237 0.000 2.653 17 G HA2 0.420 4.397 3.960 0.028 0.000 0.265 17 G HA3 0.420 4.397 3.960 0.028 0.000 0.265 17 G C 0.268 175.346 174.900 0.297 0.000 1.237 17 G CA -0.573 44.686 45.100 0.265 0.000 0.946 17 G HN 0.775 nan 8.290 nan 0.000 0.522 18 L N -2.796 118.614 121.223 0.311 0.000 3.598 18 L HA -0.120 4.236 4.340 0.028 0.000 0.422 18 L C -0.360 176.749 176.870 0.397 0.000 1.262 18 L CA -0.379 54.659 54.840 0.329 0.000 0.889 18 L CB -2.371 39.808 42.059 0.200 0.000 1.857 18 L HN 0.454 nan 8.230 nan 0.000 0.858 19 W N 0.788 122.212 121.300 0.208 0.000 2.034 19 W HA 0.560 5.237 4.660 0.028 0.000 0.357 19 W C 0.964 177.617 176.519 0.224 0.000 1.326 19 W CA 0.440 57.933 57.345 0.247 0.000 1.318 19 W CB 0.186 29.875 29.460 0.382 0.000 1.193 19 W HN 0.294 nan 8.180 nan 0.000 0.620 20 A N 1.675 124.761 122.820 0.444 0.000 2.327 20 A HA 0.656 4.993 4.320 0.028 0.000 0.283 20 A C -1.622 176.174 177.584 0.353 0.000 1.127 20 A CA -0.294 51.923 52.037 0.300 0.000 0.810 20 A CB 0.227 19.332 19.000 0.175 0.000 1.066 20 A HN 0.500 nan 8.150 nan 0.000 0.492 21 F N 1.762 121.743 119.950 0.051 0.000 2.601 21 F HA 0.651 5.195 4.527 0.029 0.000 0.309 21 F C -0.079 175.663 175.800 -0.097 0.000 1.089 21 F CA 0.287 58.243 58.000 -0.073 0.000 0.940 21 F CB 2.143 41.066 39.000 -0.128 0.000 1.273 21 F HN 0.883 nan 8.300 nan 0.000 0.450 22 S N 5.378 120.555 115.700 -0.872 0.000 2.567 22 S HA 0.696 5.182 4.470 0.028 0.000 0.270 22 S C -1.956 172.238 174.600 -0.676 0.000 1.152 22 S CA -1.036 56.803 58.200 -0.602 0.000 0.835 22 S CB 1.292 64.306 63.200 -0.310 0.000 1.115 22 S HN 0.786 nan 8.310 nan 0.000 0.459 23 L N 1.407 122.372 121.223 -0.431 0.000 2.399 23 L HA 0.591 4.948 4.340 0.028 0.000 0.265 23 L C -0.443 176.454 176.870 0.046 0.000 1.089 23 L CA -0.663 53.957 54.840 -0.368 0.000 0.802 23 L CB 0.927 42.618 42.059 -0.614 0.000 1.180 23 L HN 0.814 nan 8.230 nan 0.000 0.454 24 D N 0.265 120.752 120.400 0.145 0.000 2.517 24 D HA 0.212 4.869 4.640 0.028 0.000 0.301 24 D C 0.896 177.307 176.300 0.185 0.000 1.202 24 D CA -0.335 53.782 54.000 0.194 0.000 0.910 24 D CB 0.499 41.385 40.800 0.143 0.000 1.021 24 D HN 0.304 nan 8.370 nan 0.000 0.499 25 R N 0.464 121.062 120.500 0.163 0.000 2.285 25 R HA -0.010 4.346 4.340 0.028 0.000 0.213 25 R C 0.640 177.020 176.300 0.133 0.000 1.068 25 R CA 0.778 57.011 56.100 0.223 0.000 1.004 25 R CB 0.431 30.831 30.300 0.168 0.000 0.873 25 R HN 0.221 nan 8.270 nan 0.000 0.467 26 E N -0.005 120.240 120.200 0.076 0.000 2.481 26 E HA -0.004 4.362 4.350 0.028 0.000 0.198 26 E C -0.137 176.456 176.600 -0.013 0.000 1.027 26 E CA -0.166 56.251 56.400 0.028 0.000 0.900 26 E CB 0.005 29.716 29.700 0.019 0.000 0.993 26 E HN 0.087 nan 8.360 nan 0.000 0.482 27 N N 0.906 119.601 118.700 -0.008 0.000 2.708 27 N HA -0.227 4.529 4.740 0.028 0.000 0.251 27 N C 0.433 175.882 175.510 -0.102 0.000 1.017 27 N CA 0.910 53.943 53.050 -0.029 0.000 0.742 27 N CB -1.674 36.812 38.487 -0.002 0.000 0.943 27 N HN 0.386 nan 8.380 nan 0.000 0.539 28 C N -4.129 115.032 119.300 -0.233 0.000 3.104 28 C HA 0.653 5.129 4.460 0.028 0.000 0.284 28 C C 2.335 176.965 174.990 -0.599 0.000 1.326 28 C CA 0.188 59.038 59.018 -0.280 0.000 1.725 28 C CB -0.140 27.495 27.740 -0.175 0.000 2.156 28 C HN 0.412 nan 8.230 nan 0.000 0.638 29 G N 1.886 110.105 108.800 -0.968 0.000 2.402 29 G HA2 -0.047 3.930 3.960 0.028 0.000 0.216 29 G HA3 -0.047 3.930 3.960 0.028 0.000 0.216 29 G C 1.486 175.982 174.900 -0.674 0.000 1.162 29 G CA 1.090 45.124 45.100 -1.776 0.000 0.777 29 G HN 0.568 nan 8.290 nan 0.000 0.539 30 I N 1.047 121.614 120.570 -0.005 0.000 2.226 30 I HA -0.125 4.062 4.170 0.028 0.000 0.245 30 I C 2.189 178.358 176.117 0.087 0.000 1.100 30 I CA 1.216 62.679 61.300 0.272 0.000 1.374 30 I CB -0.175 38.020 38.000 0.325 0.000 1.057 30 I HN 0.151 nan 8.210 nan 0.000 0.413 31 D N 0.467 120.836 120.400 -0.052 0.000 2.123 31 D HA -0.180 4.476 4.640 0.028 0.000 0.200 31 D C 1.852 178.066 176.300 -0.144 0.000 0.976 31 D CA 1.160 55.123 54.000 -0.062 0.000 0.831 31 D CB -0.264 40.499 40.800 -0.062 0.000 0.974 31 D HN 0.468 nan 8.370 nan 0.000 0.469 32 Q N 0.188 119.846 119.800 -0.237 0.000 2.482 32 Q HA 0.097 4.453 4.340 0.028 0.000 0.209 32 Q C -0.262 175.559 176.000 -0.299 0.000 0.961 32 Q CA -0.123 55.562 55.803 -0.198 0.000 0.945 32 Q CB 0.187 28.880 28.738 -0.074 0.000 1.012 32 Q HN 0.155 nan 8.270 nan 0.000 0.515 33 R N -0.888 119.298 120.500 -0.524 0.000 3.264 33 R HA -0.211 4.145 4.340 0.028 0.000 0.251 33 R C -0.291 175.415 176.300 -0.990 0.000 0.971 33 R CA 0.024 55.423 56.100 -1.168 0.000 0.658 33 R CB -1.500 28.113 30.300 -1.144 0.000 1.095 33 R HN 0.404 nan 8.270 nan 0.000 0.443 34 W N -0.047 120.687 121.300 -0.943 0.000 2.389 34 W HA -0.178 4.498 4.660 0.027 0.000 0.267 34 W C 1.826 177.974 176.519 -0.618 0.000 1.219 34 W CA 1.239 58.072 57.345 -0.852 0.000 1.189 34 W CB -0.640 28.050 29.460 -1.283 0.000 1.129 34 W HN 0.702 nan 8.180 nan 0.000 0.581 35 W N 0.020 121.130 121.300 -0.316 0.000 3.077 35 W HA 0.147 4.824 4.660 0.027 0.000 0.245 35 W C 1.270 177.728 176.519 -0.101 0.000 1.316 35 W CA 0.736 57.964 57.345 -0.195 0.000 1.537 35 W CB -1.133 28.062 29.460 -0.442 0.000 1.131 35 W HN -0.071 nan 8.180 nan 0.000 0.695 36 E N 0.849 120.771 120.200 -0.464 0.000 2.250 36 E HA -0.006 4.360 4.350 0.028 0.000 0.192 36 E C 1.044 177.552 176.600 -0.152 0.000 0.986 36 E CA 0.974 57.200 56.400 -0.289 0.000 0.849 36 E CB 0.120 29.563 29.700 -0.428 0.000 0.797 36 E HN 0.279 nan 8.360 nan 0.000 0.482 37 S N -0.285 115.304 115.700 -0.186 0.000 2.745 37 S HA 0.693 5.179 4.470 0.028 0.000 0.306 37 S C -0.255 174.256 174.600 -0.148 0.000 1.137 37 S CA -0.887 57.223 58.200 -0.149 0.000 0.900 37 S CB 1.567 64.657 63.200 -0.183 0.000 1.176 37 S HN 0.076 nan 8.310 nan 0.000 0.520 38 A N 0.813 123.551 122.820 -0.137 0.000 2.511 38 A HA 0.440 4.776 4.320 0.028 0.000 0.242 38 A C 0.302 177.741 177.584 -0.241 0.000 1.069 38 A CA -0.469 51.485 52.037 -0.137 0.000 0.763 38 A CB -0.758 18.178 19.000 -0.107 0.000 1.001 38 A HN 0.785 nan 8.150 nan 0.000 0.498 39 L N 2.818 123.899 121.223 -0.236 0.000 2.615 39 L HA 0.002 4.359 4.340 0.028 0.000 0.271 39 L C 0.496 177.136 176.870 -0.382 0.000 1.183 39 L CA -0.126 54.475 54.840 -0.399 0.000 0.933 39 L CB -0.162 41.743 42.059 -0.258 0.000 1.199 39 L HN 0.813 nan 8.230 nan 0.000 0.487 40 Q N 2.245 121.735 119.800 -0.518 0.000 2.318 40 Q HA 0.225 4.582 4.340 0.028 0.000 0.222 40 Q C 0.152 175.937 176.000 -0.358 0.000 1.003 40 Q CA -0.741 54.835 55.803 -0.378 0.000 0.936 40 Q CB 0.277 28.796 28.738 -0.365 0.000 1.204 40 Q HN 0.342 nan 8.270 nan 0.000 0.524 41 E N -0.703 119.354 120.200 -0.239 0.000 2.328 41 E HA -0.202 4.164 4.350 0.028 0.000 0.233 41 E C -1.007 175.480 176.600 -0.188 0.000 1.219 41 E CA 1.003 57.288 56.400 -0.191 0.000 0.717 41 E CB -1.550 28.037 29.700 -0.189 0.000 1.210 41 E HN 0.610 nan 8.360 nan 0.000 0.381 42 S N -0.480 115.126 115.700 -0.157 0.000 2.747 42 S HA 0.854 5.341 4.470 0.028 0.000 0.300 42 S C 0.172 174.748 174.600 -0.041 0.000 1.121 42 S CA -0.412 57.722 58.200 -0.109 0.000 0.995 42 S CB 2.505 65.652 63.200 -0.089 0.000 1.113 42 S HN 0.442 nan 8.310 nan 0.000 0.547 43 R N -0.689 119.830 120.500 0.032 0.000 2.692 43 R HA 0.736 5.092 4.340 0.028 0.000 0.269 43 R C -1.079 175.323 176.300 0.169 0.000 1.030 43 R CA -0.889 55.249 56.100 0.063 0.000 0.882 43 R CB 0.897 31.192 30.300 -0.009 0.000 1.250 43 R HN 0.874 nan 8.270 nan 0.000 0.465 44 A N 2.552 125.477 122.820 0.175 0.000 2.477 44 A HA 0.485 4.822 4.320 0.028 0.000 0.246 44 A C -0.271 177.487 177.584 0.289 0.000 1.078 44 A CA -0.305 51.866 52.037 0.223 0.000 0.770 44 A CB 0.127 19.232 19.000 0.174 0.000 1.011 44 A HN 0.693 nan 8.150 nan 0.000 0.494 45 I N 1.299 122.042 120.570 0.288 0.000 2.619 45 I HA 0.593 4.780 4.170 0.028 0.000 0.292 45 I C 0.219 176.461 176.117 0.208 0.000 1.100 45 I CA -0.759 60.665 61.300 0.207 0.000 1.043 45 I CB 1.838 39.870 38.000 0.055 0.000 1.239 45 I HN 0.781 nan 8.210 nan 0.000 0.420 46 A N 5.827 128.709 122.820 0.102 0.000 2.401 46 A HA 0.474 4.810 4.320 0.028 0.000 0.259 46 A C -0.361 177.278 177.584 0.092 0.000 1.103 46 A CA -0.204 51.898 52.037 0.107 0.000 0.789 46 A CB 0.926 19.945 19.000 0.032 0.000 1.035 46 A HN 0.892 nan 8.150 nan 0.000 0.491 47 V N 3.299 123.265 119.914 0.088 0.000 2.462 47 V HA 0.569 4.705 4.120 0.028 0.000 0.257 47 V C -3.023 173.057 176.094 -0.023 0.000 0.944 47 V CA -1.407 60.863 62.300 -0.050 0.000 0.903 47 V CB 1.130 32.724 31.823 -0.383 0.000 1.128 47 V HN 0.681 nan 8.190 nan 0.000 0.486 48 P HA 0.942 nan 4.420 nan 0.000 0.309 48 P C -0.301 177.017 177.300 0.030 0.000 1.438 48 P CA -0.296 62.824 63.100 0.034 0.000 1.059 48 P CB 2.107 33.865 31.700 0.097 0.000 1.231 49 G N 0.586 109.427 108.800 0.068 0.000 2.453 49 G HA2 0.121 4.098 3.960 0.028 0.000 0.665 49 G HA3 0.121 4.098 3.960 0.028 0.000 0.665 49 G C -0.818 174.171 174.900 0.147 0.000 1.411 49 G CA -0.884 44.238 45.100 0.037 0.000 0.889 49 G HN 0.378 nan 8.290 nan 0.000 0.651 50 S N 0.208 115.960 115.700 0.086 0.000 2.558 50 S HA 0.290 4.776 4.470 0.028 0.000 0.287 50 S C 1.423 176.044 174.600 0.034 0.000 1.321 50 S CA 0.754 59.035 58.200 0.135 0.000 1.048 50 S CB 0.245 63.396 63.200 -0.083 0.000 0.844 50 S HN 1.405 nan 8.310 nan 0.000 0.512 51 F N 1.747 121.792 119.950 0.158 0.000 2.512 51 F HA 0.137 4.682 4.527 0.029 0.000 0.296 51 F C 1.497 177.337 175.800 0.067 0.000 1.110 51 F CA 0.235 58.240 58.000 0.008 0.000 1.446 51 F CB -0.785 38.267 39.000 0.086 0.000 1.092 51 F HN 0.482 nan 8.300 nan 0.000 0.554 52 N N 1.136 119.673 118.700 -0.271 0.000 2.061 52 N HA -0.201 4.556 4.740 0.028 0.000 0.193 52 N C 0.606 176.200 175.510 0.139 0.000 1.030 52 N CA 1.995 55.064 53.050 0.031 0.000 0.856 52 N CB -0.374 38.226 38.487 0.188 0.000 1.023 52 N HN 0.370 nan 8.380 nan 0.000 0.424 53 D N 0.145 120.543 120.400 -0.004 0.000 2.379 53 D HA 0.065 4.722 4.640 0.028 0.000 0.208 53 D C 1.515 177.697 176.300 -0.196 0.000 1.065 53 D CA 0.123 54.092 54.000 -0.052 0.000 0.848 53 D CB 0.130 40.891 40.800 -0.065 0.000 0.949 53 D HN 0.237 nan 8.370 nan 0.000 0.509 54 Q N -0.621 118.906 119.800 -0.455 0.000 2.364 54 Q HA -0.060 4.297 4.340 0.028 0.000 0.207 54 Q C 0.424 176.040 176.000 -0.640 0.000 0.970 54 Q CA 0.857 56.245 55.803 -0.691 0.000 0.888 54 Q CB 0.090 28.189 28.738 -1.065 0.000 0.951 54 Q HN 0.351 nan 8.270 nan 0.000 0.469 55 F N -1.324 118.647 119.950 0.034 0.000 2.688 55 F HA 0.433 4.977 4.527 0.029 0.000 0.310 55 F C 0.726 176.554 175.800 0.046 0.000 1.098 55 F CA -0.248 57.778 58.000 0.043 0.000 1.228 55 F CB 0.185 39.224 39.000 0.066 0.000 1.042 55 F HN -0.166 nan 8.300 nan 0.000 0.557 56 A N 1.310 124.211 122.820 0.135 0.000 2.640 56 A HA -0.236 4.101 4.320 0.028 0.000 0.300 56 A C -0.197 177.467 177.584 0.133 0.000 1.499 56 A CA 1.214 53.310 52.037 0.098 0.000 0.759 56 A CB -2.026 17.014 19.000 0.067 0.000 1.048 56 A HN 0.409 nan 8.150 nan 0.000 0.450 57 D N -1.673 118.836 120.400 0.182 0.000 2.863 57 D HA 0.722 5.378 4.640 0.028 0.000 0.245 57 D C 0.757 177.165 176.300 0.180 0.000 1.211 57 D CA 0.329 54.435 54.000 0.177 0.000 0.888 57 D CB 1.503 42.428 40.800 0.208 0.000 1.483 57 D HN 0.527 nan 8.370 nan 0.000 0.533 58 A N 3.251 126.156 122.820 0.141 0.000 1.872 58 A HA -0.095 4.242 4.320 0.028 0.000 0.214 58 A C 1.494 179.192 177.584 0.189 0.000 1.187 58 A CA 1.165 53.288 52.037 0.143 0.000 0.614 58 A CB -0.251 18.811 19.000 0.104 0.000 0.826 58 A HN 0.605 nan 8.150 nan 0.000 0.442 59 D N -0.237 120.267 120.400 0.173 0.000 2.263 59 D HA -0.076 4.581 4.640 0.028 0.000 0.208 59 D C 1.602 178.062 176.300 0.268 0.000 0.971 59 D CA 0.919 55.034 54.000 0.193 0.000 0.867 59 D CB -0.133 40.750 40.800 0.138 0.000 0.929 59 D HN 0.549 nan 8.370 nan 0.000 0.492 60 I N -0.419 120.328 120.570 0.296 0.000 3.081 60 I HA -0.006 4.181 4.170 0.028 0.000 0.274 60 I C 2.374 178.833 176.117 0.570 0.000 1.178 60 I CA -0.001 61.552 61.300 0.421 0.000 1.460 60 I CB 0.165 38.419 38.000 0.424 0.000 1.137 60 I HN -0.167 nan 8.210 nan 0.000 0.443 61 R N 1.528 122.277 120.500 0.415 0.000 2.096 61 R HA -0.126 4.231 4.340 0.028 0.000 0.235 61 R C 1.241 177.810 176.300 0.448 0.000 1.127 61 R CA 1.942 58.265 56.100 0.372 0.000 0.968 61 R CB -0.094 30.333 30.300 0.212 0.000 0.861 61 R HN 0.375 nan 8.270 nan 0.000 0.440 62 N N -0.973 117.962 118.700 0.390 0.000 2.236 62 N HA -0.027 4.730 4.740 0.028 0.000 0.196 62 N C -0.810 174.885 175.510 0.308 0.000 1.114 62 N CA -0.343 52.905 53.050 0.330 0.000 0.859 62 N CB 0.300 38.931 38.487 0.240 0.000 0.982 62 N HN 0.151 nan 8.380 nan 0.000 0.493 63 Y N 2.319 122.797 120.300 0.297 0.000 2.610 63 Y HA 0.230 4.796 4.550 0.027 0.000 0.332 63 Y C -0.221 175.836 175.900 0.261 0.000 1.201 63 Y CA -0.853 57.407 58.100 0.267 0.000 1.465 63 Y CB 0.333 38.978 38.460 0.308 0.000 1.283 63 Y HN -0.041 nan 8.280 nan 0.000 0.563 64 A N 4.696 127.169 122.820 -0.578 0.000 2.356 64 A HA 0.850 5.187 4.320 0.028 0.000 0.310 64 A C 0.052 177.172 177.584 -0.774 0.000 1.075 64 A CA 0.177 51.937 52.037 -0.461 0.000 0.746 64 A CB 1.013 19.885 19.000 -0.214 0.000 1.221 64 A HN 1.590 nan 8.150 nan 0.000 0.443 65 G N 1.516 110.049 108.800 -0.445 0.000 2.292 65 G HA2 0.113 4.090 3.960 0.028 0.000 0.194 65 G HA3 0.113 4.090 3.960 0.028 0.000 0.194 65 G C -1.569 173.341 174.900 0.018 0.000 1.329 65 G CA -0.779 44.172 45.100 -0.248 0.000 1.100 65 G HN 0.769 nan 8.290 nan 0.000 0.470 66 N N 0.556 119.343 118.700 0.144 0.000 2.399 66 N HA 0.640 5.397 4.740 0.028 0.000 0.295 66 N C 0.079 175.685 175.510 0.160 0.000 1.048 66 N CA 0.140 53.252 53.050 0.103 0.000 0.886 66 N CB 2.076 40.549 38.487 -0.024 0.000 1.185 66 N HN 1.188 nan 8.380 nan 0.000 0.487 67 V N -1.318 118.584 119.914 -0.020 0.000 3.046 67 V HA 0.757 4.893 4.120 0.028 0.000 0.316 67 V C -1.403 174.557 176.094 -0.224 0.000 1.104 67 V CA -0.870 61.322 62.300 -0.179 0.000 1.006 67 V CB 1.911 33.498 31.823 -0.393 0.000 1.058 67 V HN 0.543 nan 8.190 nan 0.000 0.440 68 W N 0.961 122.126 121.300 -0.225 0.000 2.619 68 W HA 0.718 5.395 4.660 0.027 0.000 0.327 68 W C -1.175 175.340 176.519 -0.007 0.000 1.027 68 W CA -0.452 56.923 57.345 0.050 0.000 1.233 68 W CB 1.482 31.050 29.460 0.180 0.000 1.370 68 W HN 0.589 nan 8.180 nan 0.000 0.453 69 Y N 2.437 122.997 120.300 0.433 0.000 2.330 69 Y HA 0.452 5.018 4.550 0.027 0.000 0.336 69 Y C 0.424 176.723 175.900 0.665 0.000 1.036 69 Y CA -0.633 57.794 58.100 0.544 0.000 1.125 69 Y CB 1.713 40.414 38.460 0.403 0.000 1.194 69 Y HN 0.328 nan 8.280 nan 0.000 0.469 70 Q N 2.957 123.225 119.800 0.779 0.000 2.421 70 Q HA 0.740 5.097 4.340 0.028 0.000 0.280 70 Q C -1.511 174.707 176.000 0.363 0.000 1.085 70 Q CA -1.206 54.932 55.803 0.557 0.000 0.807 70 Q CB 2.806 31.742 28.738 0.330 0.000 1.405 70 Q HN 0.802 nan 8.270 nan 0.000 0.419 71 R N 0.738 121.257 120.500 0.032 0.000 2.709 71 R HA 0.350 4.707 4.340 0.028 0.000 0.270 71 R C -1.898 174.258 176.300 -0.239 0.000 1.038 71 R CA -0.331 55.550 56.100 -0.365 0.000 0.872 71 R CB 1.528 30.969 30.300 -1.432 0.000 1.259 71 R HN 0.606 nan 8.270 nan 0.000 0.473 72 E N 1.295 121.359 120.200 -0.226 0.000 2.277 72 E HA 0.665 5.031 4.350 0.028 0.000 0.266 72 E C -1.651 174.855 176.600 -0.157 0.000 0.901 72 E CA -1.326 54.982 56.400 -0.152 0.000 0.782 72 E CB 2.966 32.599 29.700 -0.112 0.000 1.228 72 E HN 0.291 nan 8.360 nan 0.000 0.424 73 V N 3.205 123.037 119.914 -0.137 0.000 2.789 73 V HA 0.350 4.486 4.120 0.028 0.000 0.300 73 V C -1.731 174.311 176.094 -0.086 0.000 1.184 73 V CA -0.625 61.633 62.300 -0.069 0.000 0.930 73 V CB 1.035 32.815 31.823 -0.070 0.000 1.041 73 V HN 0.610 nan 8.190 nan 0.000 0.430 74 F N 6.655 126.549 119.950 -0.093 0.000 2.495 74 F HA 0.468 5.011 4.527 0.027 0.000 0.365 74 F C 0.685 176.388 175.800 -0.162 0.000 1.090 74 F CA -0.197 57.740 58.000 -0.105 0.000 1.235 74 F CB 0.889 39.825 39.000 -0.107 0.000 1.119 74 F HN 0.272 nan 8.300 nan 0.000 0.562 75 I N 5.423 125.978 120.570 -0.025 0.000 2.342 75 I HA 0.223 4.410 4.170 0.028 0.000 0.291 75 I C -2.228 173.723 176.117 -0.276 0.000 1.010 75 I CA -2.959 58.240 61.300 -0.168 0.000 1.308 75 I CB 0.612 38.589 38.000 -0.039 0.000 1.400 75 I HN 0.244 nan 8.210 nan 0.000 0.488 76 P HA 0.059 nan 4.420 nan 0.000 0.262 76 P C 0.500 177.591 177.300 -0.349 0.000 1.182 76 P CA 0.083 62.783 63.100 -0.667 0.000 0.761 76 P CB 0.595 31.445 31.700 -1.417 0.000 0.795 77 K N 2.461 122.756 120.400 -0.175 0.000 2.103 77 K HA -0.120 4.216 4.320 0.028 0.000 0.207 77 K C 2.169 178.765 176.600 -0.005 0.000 1.048 77 K CA 1.837 58.089 56.287 -0.059 0.000 0.930 77 K CB -0.646 31.830 32.500 -0.040 0.000 0.716 77 K HN 0.602 nan 8.250 nan 0.000 0.444 78 G N -0.045 108.747 108.800 -0.013 0.000 2.559 78 G HA2 -0.156 3.821 3.960 0.028 0.000 0.216 78 G HA3 -0.156 3.821 3.960 0.028 0.000 0.216 78 G C -0.342 174.729 174.900 0.285 0.000 1.126 78 G CA -0.122 45.042 45.100 0.107 0.000 0.778 78 G HN 0.188 nan 8.290 nan 0.000 0.543 79 W N 1.543 122.842 121.300 -0.001 0.000 1.912 79 W HA 0.717 5.394 4.660 0.027 0.000 0.399 79 W C 0.226 176.735 176.519 -0.016 0.000 0.800 79 W CA -2.082 55.255 57.345 -0.014 0.000 1.593 79 W CB -0.688 28.762 29.460 -0.018 0.000 1.769 79 W HN 0.147 nan 8.180 nan 0.000 0.281 80 A N 1.016 123.944 122.820 0.180 0.000 2.276 80 A HA 0.607 4.944 4.320 0.028 0.000 0.300 80 A C 1.216 178.838 177.584 0.064 0.000 1.235 80 A CA 0.103 52.197 52.037 0.095 0.000 0.867 80 A CB 0.288 19.328 19.000 0.067 0.000 1.137 80 A HN 1.097 nan 8.150 nan 0.000 0.527 81 G N 1.814 110.638 108.800 0.040 0.000 2.379 81 G HA2 -0.203 3.774 3.960 0.028 0.000 0.297 81 G HA3 -0.203 3.774 3.960 0.028 0.000 0.297 81 G C 0.172 175.056 174.900 -0.028 0.000 1.004 81 G CA 0.753 45.855 45.100 0.004 0.000 0.921 81 G HN 0.805 nan 8.290 nan 0.000 0.511 82 Q N -1.227 118.548 119.800 -0.042 0.000 2.333 82 Q HA 0.435 4.791 4.340 0.028 0.000 0.266 82 Q C 0.646 176.529 176.000 -0.195 0.000 1.053 82 Q CA -1.045 54.686 55.803 -0.119 0.000 0.890 82 Q CB 1.179 29.826 28.738 -0.151 0.000 1.337 82 Q HN 0.392 nan 8.270 nan 0.000 0.474 83 R N 0.888 121.210 120.500 -0.296 0.000 2.449 83 R HA 0.272 4.629 4.340 0.028 0.000 0.296 83 R C -0.331 175.697 176.300 -0.454 0.000 1.047 83 R CA 0.252 56.105 56.100 -0.412 0.000 1.018 83 R CB 0.134 30.070 30.300 -0.606 0.000 0.962 83 R HN 0.401 nan 8.270 nan 0.000 0.428 84 I N 4.235 124.582 120.570 -0.372 0.000 2.382 84 I HA 0.254 4.440 4.170 0.028 0.000 0.286 84 I C -0.579 175.320 176.117 -0.365 0.000 1.002 84 I CA -0.907 60.176 61.300 -0.362 0.000 1.135 84 I CB 1.879 39.819 38.000 -0.100 0.000 1.288 84 I HN 0.201 nan 8.210 nan 0.000 0.448 85 V N 6.712 126.308 119.914 -0.529 0.000 2.409 85 V HA 0.349 4.485 4.120 0.028 0.000 0.291 85 V C -0.329 175.581 176.094 -0.307 0.000 1.020 85 V CA -0.732 61.258 62.300 -0.516 0.000 0.848 85 V CB 1.963 33.215 31.823 -0.951 0.000 0.990 85 V HN 0.450 nan 8.190 nan 0.000 0.430 86 L N 5.867 127.019 121.223 -0.119 0.000 2.260 86 L HA 0.651 5.008 4.340 0.028 0.000 0.289 86 L C -0.103 176.749 176.870 -0.030 0.000 1.057 86 L CA 0.069 54.886 54.840 -0.039 0.000 0.811 86 L CB 0.731 42.815 42.059 0.042 0.000 1.184 86 L HN 0.809 nan 8.230 nan 0.000 0.429 87 R N 4.585 125.033 120.500 -0.086 0.000 2.561 87 R HA 0.544 4.900 4.340 0.028 0.000 0.297 87 R C -1.808 174.268 176.300 -0.374 0.000 0.969 87 R CA -0.510 55.531 56.100 -0.099 0.000 0.879 87 R CB 1.033 31.401 30.300 0.114 0.000 1.178 87 R HN 0.533 nan 8.270 nan 0.000 0.445 88 F N 3.204 122.855 119.950 -0.498 0.000 2.411 88 F HA 0.246 4.789 4.527 0.027 0.000 0.352 88 F C 0.786 176.325 175.800 -0.434 0.000 1.123 88 F CA -0.628 57.053 58.000 -0.531 0.000 1.044 88 F CB 1.889 40.365 39.000 -0.873 0.000 1.135 88 F HN 0.617 nan 8.300 nan 0.000 0.461 89 D N 2.190 122.533 120.400 -0.095 0.000 2.178 89 D HA 0.061 4.717 4.640 0.028 0.000 0.201 89 D C 0.477 176.785 176.300 0.013 0.000 0.980 89 D CA 1.090 55.064 54.000 -0.043 0.000 0.842 89 D CB 0.238 41.013 40.800 -0.042 0.000 0.948 89 D HN 0.482 nan 8.370 nan 0.000 0.472 90 A N -0.901 121.936 122.820 0.028 0.000 2.605 90 A HA 0.557 4.894 4.320 0.028 0.000 0.294 90 A C -1.670 175.938 177.584 0.041 0.000 1.062 90 A CA -0.568 51.508 52.037 0.065 0.000 0.682 90 A CB 1.626 20.673 19.000 0.079 0.000 1.278 90 A HN -0.136 nan 8.150 nan 0.000 0.410 91 V N 1.817 121.759 119.914 0.047 0.000 2.509 91 V HA 0.360 4.497 4.120 0.028 0.000 0.289 91 V C 0.188 176.171 176.094 -0.186 0.000 1.026 91 V CA -0.397 61.849 62.300 -0.090 0.000 0.872 91 V CB 1.659 33.447 31.823 -0.060 0.000 1.017 91 V HN 1.004 nan 8.190 nan 0.000 0.436 92 T N 4.866 119.173 114.554 -0.412 0.000 2.934 92 T HA 0.218 4.585 4.350 0.028 0.000 0.306 92 T C 0.743 175.255 174.700 -0.314 0.000 1.042 92 T CA 1.241 62.986 62.100 -0.591 0.000 1.145 92 T CB -0.140 68.187 68.868 -0.902 0.000 0.982 92 T HN 0.945 nan 8.240 nan 0.000 0.544 93 H N 0.016 118.973 119.070 -0.188 0.000 1.452 93 H HA -0.278 4.295 4.556 0.028 0.000 0.090 93 H C -0.120 175.204 175.328 -0.006 0.000 0.648 93 H CA 1.235 57.246 56.048 -0.061 0.000 1.901 93 H CB -0.769 28.971 29.762 -0.035 0.000 2.257 93 H HN 0.696 nan 8.280 nan 0.000 0.961 94 Y N 1.511 121.825 120.300 0.023 0.000 2.352 94 Y HA 0.517 5.083 4.550 0.027 0.000 0.326 94 Y C 0.294 176.118 175.900 -0.127 0.000 1.166 94 Y CA 0.282 58.328 58.100 -0.090 0.000 1.182 94 Y CB 1.825 40.230 38.460 -0.090 0.000 1.216 94 Y HN 0.637 nan 8.280 nan 0.000 0.474 95 G N 4.968 113.185 108.800 -0.971 0.000 2.731 95 G HA2 0.429 4.406 3.960 0.028 0.000 0.298 95 G HA3 0.429 4.406 3.960 0.028 0.000 0.298 95 G C -2.196 172.124 174.900 -0.968 0.000 1.424 95 G CA -1.032 43.605 45.100 -0.770 0.000 1.029 95 G HN 0.604 nan 8.290 nan 0.000 0.518 96 K N 1.356 121.346 120.400 -0.682 0.000 2.345 96 K HA 0.675 5.012 4.320 0.028 0.000 0.255 96 K C -0.946 175.251 176.600 -0.671 0.000 0.934 96 K CA -0.593 55.272 56.287 -0.705 0.000 0.801 96 K CB 2.374 34.518 32.500 -0.594 0.000 1.137 96 K HN 0.291 nan 8.250 nan 0.000 0.424 97 V N 3.984 123.456 119.914 -0.735 0.000 2.555 97 V HA 0.481 4.617 4.120 0.028 0.000 0.302 97 V C -0.819 174.953 176.094 -0.537 0.000 1.038 97 V CA -0.808 61.278 62.300 -0.356 0.000 0.887 97 V CB 1.412 33.180 31.823 -0.092 0.000 0.991 97 V HN 0.720 nan 8.190 nan 0.000 0.434 98 W N 3.008 124.309 121.300 0.001 0.000 2.538 98 W HA 0.524 5.201 4.660 0.027 0.000 0.322 98 W C -0.960 175.601 176.519 0.070 0.000 1.028 98 W CA -0.693 56.610 57.345 -0.070 0.000 1.228 98 W CB 2.159 31.507 29.460 -0.186 0.000 1.356 98 W HN 0.270 nan 8.180 nan 0.000 0.452 99 V N 5.746 125.770 119.914 0.183 0.000 2.353 99 V HA 0.012 4.149 4.120 0.028 0.000 0.264 99 V C 0.545 176.760 176.094 0.201 0.000 1.049 99 V CA 0.233 62.640 62.300 0.179 0.000 0.896 99 V CB -0.063 31.835 31.823 0.125 0.000 1.025 99 V HN 0.774 nan 8.190 nan 0.000 0.475 100 N N 4.411 123.248 118.700 0.229 0.000 1.241 100 N HA -0.293 4.463 4.740 0.028 0.000 0.135 100 N C 0.814 176.542 175.510 0.363 0.000 0.723 100 N CA 2.205 55.393 53.050 0.230 0.000 0.950 100 N CB -0.657 37.926 38.487 0.160 0.000 1.215 100 N HN 0.745 nan 8.380 nan 0.000 0.520 101 N N 0.332 119.228 118.700 0.326 0.000 2.336 101 N HA 0.075 4.832 4.740 0.028 0.000 0.189 101 N C -0.435 175.290 175.510 0.359 0.000 1.113 101 N CA 0.221 53.552 53.050 0.468 0.000 0.858 101 N CB 0.224 38.912 38.487 0.335 0.000 0.970 101 N HN 0.373 nan 8.380 nan 0.000 0.471 102 Q N 1.521 121.402 119.800 0.134 0.000 2.360 102 Q HA 0.122 4.478 4.340 0.028 0.000 0.254 102 Q C -0.714 175.141 176.000 -0.243 0.000 0.975 102 Q CA -0.320 55.390 55.803 -0.156 0.000 0.912 102 Q CB 0.493 28.853 28.738 -0.630 0.000 1.212 102 Q HN 0.196 nan 8.270 nan 0.000 0.452 103 E N 3.754 123.775 120.200 -0.298 0.000 2.341 103 E HA 0.210 4.576 4.350 0.028 0.000 0.256 103 E C -0.539 175.775 176.600 -0.477 0.000 1.125 103 E CA -0.341 55.664 56.400 -0.659 0.000 0.939 103 E CB 0.193 29.541 29.700 -0.588 0.000 0.991 103 E HN 0.513 nan 8.360 nan 0.000 0.458 107 H N 2.254 120.857 119.070 -0.779 0.000 3.026 107 H HA 0.380 4.952 4.556 0.027 0.000 0.352 107 H C -1.769 173.250 175.328 -0.514 0.000 1.090 107 H CA -0.413 55.163 56.048 -0.788 0.000 1.268 107 H CB 1.878 30.625 29.762 -1.692 0.000 1.816 107 H HN 0.352 nan 8.280 nan 0.000 0.518 108 Q N 3.354 122.737 119.800 -0.695 0.000 2.331 108 Q HA 0.637 4.994 4.340 0.028 0.000 0.267 108 Q C -0.768 174.990 176.000 -0.404 0.000 1.006 108 Q CA 0.213 55.828 55.803 -0.313 0.000 0.818 108 Q CB 1.720 30.387 28.738 -0.119 0.000 1.276 108 Q HN 1.081 nan 8.270 nan 0.000 0.450 109 G N 1.022 109.787 108.800 -0.058 0.000 2.535 109 G HA2 0.314 4.291 3.960 0.028 0.000 0.662 109 G HA3 0.314 4.291 3.960 0.028 0.000 0.662 109 G C -0.150 174.868 174.900 0.197 0.000 1.417 109 G CA -0.214 44.961 45.100 0.124 0.000 0.866 109 G HN 0.853 nan 8.290 nan 0.000 0.647 110 G N -0.940 107.900 108.800 0.066 0.000 3.104 110 G HA2 0.395 4.372 3.960 0.028 0.000 0.237 110 G HA3 0.395 4.372 3.960 0.028 0.000 0.237 110 G C 0.576 175.190 174.900 -0.477 0.000 1.035 110 G CA 0.501 45.415 45.100 -0.309 0.000 0.844 110 G HN 0.619 nan 8.290 nan 0.000 0.531 111 Y N 1.720 122.155 120.300 0.226 0.000 2.557 111 Y HA 0.305 4.872 4.550 0.027 0.000 0.247 111 Y C 0.965 176.998 175.900 0.222 0.000 1.164 111 Y CA -0.386 57.853 58.100 0.231 0.000 1.218 111 Y CB 0.468 39.105 38.460 0.295 0.000 1.210 111 Y HN 0.121 nan 8.280 nan 0.000 0.529 112 T N -2.382 112.359 114.554 0.311 0.000 2.907 112 T HA 0.615 4.982 4.350 0.028 0.000 0.292 112 T C -3.139 171.664 174.700 0.172 0.000 1.043 112 T CA -2.754 59.496 62.100 0.251 0.000 1.003 112 T CB 2.811 71.843 68.868 0.273 0.000 1.084 112 T HN -0.328 nan 8.240 nan 0.000 0.483 113 P HA 0.571 nan 4.420 nan 0.000 0.276 113 P C -1.005 176.366 177.300 0.118 0.000 1.252 113 P CA -0.630 62.506 63.100 0.059 0.000 0.802 113 P CB 0.233 31.956 31.700 0.039 0.000 1.035 114 F N -1.812 118.062 119.950 -0.127 0.000 2.645 114 F HA 0.823 5.366 4.527 0.027 0.000 0.310 114 F C -0.571 175.273 175.800 0.074 0.000 1.102 114 F CA -1.152 56.805 58.000 -0.071 0.000 0.952 114 F CB 1.965 40.822 39.000 -0.238 0.000 1.326 114 F HN 0.414 nan 8.300 nan 0.000 0.456 115 E N 1.582 121.892 120.200 0.183 0.000 2.437 115 E HA 0.877 5.244 4.350 0.028 0.000 0.280 115 E C -1.987 174.692 176.600 0.133 0.000 1.044 115 E CA -1.469 55.003 56.400 0.120 0.000 0.826 115 E CB 2.185 31.965 29.700 0.134 0.000 1.358 115 E HN 1.370 nan 8.360 nan 0.000 0.459 116 A N 1.038 123.899 122.820 0.068 0.000 2.605 116 A HA 0.466 4.803 4.320 0.028 0.000 0.294 116 A C -1.904 175.661 177.584 -0.032 0.000 1.062 116 A CA -0.738 51.325 52.037 0.042 0.000 0.682 116 A CB 1.786 20.829 19.000 0.072 0.000 1.278 116 A HN 0.656 nan 8.150 nan 0.000 0.410 117 D N 1.005 121.371 120.400 -0.056 0.000 2.312 117 D HA 0.341 4.998 4.640 0.028 0.000 0.252 117 D C 0.889 177.187 176.300 -0.004 0.000 1.150 117 D CA 0.690 54.619 54.000 -0.118 0.000 0.870 117 D CB 1.375 42.069 40.800 -0.177 0.000 1.153 117 D HN 0.954 nan 8.370 nan 0.000 0.457 118 V N 1.049 120.961 119.914 -0.004 0.000 3.319 118 V HA 0.130 4.266 4.120 0.028 0.000 0.317 118 V C 1.550 177.675 176.094 0.051 0.000 1.411 118 V CA 0.051 62.433 62.300 0.137 0.000 1.112 118 V CB -0.252 31.654 31.823 0.139 0.000 1.031 118 V HN 0.466 nan 8.190 nan 0.000 0.448 119 T N 2.277 116.784 114.554 -0.078 0.000 2.665 119 T HA -0.098 4.269 4.350 0.028 0.000 0.268 119 T C -0.154 174.441 174.700 -0.176 0.000 1.035 119 T CA 2.694 64.726 62.100 -0.114 0.000 1.151 119 T CB -1.245 67.534 68.868 -0.147 0.000 0.862 119 T HN 0.556 nan 8.240 nan 0.000 0.438 120 P HA 0.031 nan 4.420 nan 0.000 0.229 120 P C 0.287 177.291 177.300 -0.493 0.000 1.160 120 P CA 0.845 63.629 63.100 -0.526 0.000 0.777 120 P CB -0.137 31.062 31.700 -0.836 0.000 0.814 121 Y N -2.367 117.945 120.300 0.020 0.000 2.444 121 Y HA 0.311 4.878 4.550 0.028 0.000 0.249 121 Y C 0.951 176.873 175.900 0.037 0.000 1.134 121 Y CA -0.438 57.684 58.100 0.036 0.000 1.261 121 Y CB 0.183 38.672 38.460 0.047 0.000 1.143 121 Y HN -0.241 nan 8.280 nan 0.000 0.523 122 V N 1.197 121.181 119.914 0.116 0.000 2.769 122 V HA 0.570 4.706 4.120 0.028 0.000 0.312 122 V C -1.027 175.096 176.094 0.048 0.000 1.061 122 V CA -1.182 61.171 62.300 0.088 0.000 0.931 122 V CB 2.263 34.148 31.823 0.102 0.000 1.010 122 V HN 0.063 nan 8.190 nan 0.000 0.433 123 I N 5.495 126.089 120.570 0.039 0.000 2.439 123 I HA 0.554 4.741 4.170 0.028 0.000 0.285 123 I C 0.546 176.682 176.117 0.032 0.000 1.021 123 I CA -0.653 60.665 61.300 0.030 0.000 1.091 123 I CB 1.714 39.725 38.000 0.019 0.000 1.242 123 I HN 0.771 nan 8.210 nan 0.000 0.439 124 A N 4.372 127.222 122.820 0.050 0.000 2.565 124 A HA 0.429 4.765 4.320 0.028 0.000 0.237 124 A C 1.327 178.926 177.584 0.024 0.000 1.053 124 A CA 1.036 53.100 52.037 0.044 0.000 0.755 124 A CB -0.241 18.808 19.000 0.081 0.000 0.980 124 A HN 1.302 nan 8.150 nan 0.000 0.506 125 G N 1.513 110.323 108.800 0.016 0.000 2.213 125 G HA2 -0.185 3.791 3.960 0.028 0.000 0.236 125 G HA3 -0.185 3.791 3.960 0.028 0.000 0.236 125 G C 0.339 175.305 174.900 0.109 0.000 0.991 125 G CA 0.585 45.718 45.100 0.054 0.000 0.629 125 G HN 0.778 nan 8.290 nan 0.000 0.517 126 K N 0.497 120.917 120.400 0.033 0.000 2.245 126 K HA 0.752 5.089 4.320 0.028 0.000 0.234 126 K C 0.111 176.554 176.600 -0.261 0.000 1.021 126 K CA -0.220 56.030 56.287 -0.062 0.000 0.898 126 K CB 1.445 33.910 32.500 -0.057 0.000 1.163 126 K HN 0.246 nan 8.250 nan 0.000 0.459 127 S N 0.080 115.457 115.700 -0.540 0.000 2.617 127 S HA 0.613 5.100 4.470 0.028 0.000 0.283 127 S C -0.683 173.742 174.600 -0.291 0.000 1.189 127 S CA -0.651 57.148 58.200 -0.669 0.000 1.036 127 S CB 0.612 63.172 63.200 -1.068 0.000 1.014 127 S HN 0.348 nan 8.310 nan 0.000 0.522 128 V N 2.277 122.073 119.914 -0.197 0.000 2.841 128 V HA 0.664 4.801 4.120 0.028 0.000 0.310 128 V C -0.454 175.614 176.094 -0.044 0.000 1.090 128 V CA -1.250 61.008 62.300 -0.071 0.000 0.930 128 V CB 1.515 33.339 31.823 0.002 0.000 1.014 128 V HN 1.006 nan 8.190 nan 0.000 0.425 129 R N 3.486 123.993 120.500 0.013 0.000 2.340 129 R HA 0.673 5.029 4.340 0.028 0.000 0.300 129 R C -1.059 175.320 176.300 0.131 0.000 1.069 129 R CA -0.524 55.606 56.100 0.050 0.000 0.984 129 R CB 0.863 31.207 30.300 0.074 0.000 1.003 129 R HN 0.872 nan 8.270 nan 0.000 0.459 130 I N 4.400 125.054 120.570 0.140 0.000 2.410 130 I HA 0.213 4.400 4.170 0.028 0.000 0.286 130 I C -0.614 175.761 176.117 0.430 0.000 1.009 130 I CA -0.663 60.798 61.300 0.268 0.000 1.111 130 I CB 2.133 40.267 38.000 0.222 0.000 1.262 130 I HN 0.639 nan 8.210 nan 0.000 0.443 131 T N 5.652 120.533 114.554 0.545 0.000 2.797 131 T HA 0.557 4.924 4.350 0.028 0.000 0.279 131 T C -0.188 174.961 174.700 0.748 0.000 0.991 131 T CA -0.534 61.977 62.100 0.686 0.000 0.979 131 T CB 2.252 71.555 68.868 0.724 0.000 0.943 131 T HN 0.210 nan 8.240 nan 0.000 0.444 132 V N 2.103 122.430 119.914 0.689 0.000 2.444 132 V HA 0.381 4.518 4.120 0.028 0.000 0.294 132 V C 0.062 176.333 176.094 0.295 0.000 1.022 132 V CA -1.093 61.461 62.300 0.423 0.000 0.850 132 V CB 1.521 33.486 31.823 0.236 0.000 0.992 132 V HN 1.114 nan 8.190 nan 0.000 0.426 133 C N 6.906 126.253 119.300 0.078 0.000 2.246 133 C HA 0.708 5.185 4.460 0.028 0.000 0.329 133 C C 0.085 174.962 174.990 -0.188 0.000 1.221 133 C CA -0.152 58.602 59.018 -0.440 0.000 1.697 133 C CB -0.492 26.851 27.740 -0.662 0.000 2.312 133 C HN 0.714 nan 8.230 nan 0.000 0.509 134 V N 7.170 127.026 119.914 -0.096 0.000 2.398 134 V HA 0.391 4.528 4.120 0.028 0.000 0.286 134 V C 0.033 176.210 176.094 0.138 0.000 1.026 134 V CA -0.276 62.062 62.300 0.063 0.000 0.868 134 V CB 1.519 33.459 31.823 0.195 0.000 0.982 134 V HN 0.903 nan 8.190 nan 0.000 0.443 135 N N 3.112 121.963 118.700 0.251 0.000 2.361 135 N HA 0.403 5.159 4.740 0.028 0.000 0.302 135 N C 0.499 176.142 175.510 0.222 0.000 1.074 135 N CA -0.598 52.573 53.050 0.202 0.000 0.850 135 N CB 1.415 39.965 38.487 0.106 0.000 1.228 135 N HN 0.674 nan 8.380 nan 0.000 0.491 136 N N 1.290 120.108 118.700 0.196 0.000 2.171 136 N HA 0.067 4.824 4.740 0.028 0.000 0.212 136 N C -0.804 174.788 175.510 0.137 0.000 1.184 136 N CA -0.053 53.165 53.050 0.281 0.000 0.888 136 N CB -0.007 38.652 38.487 0.287 0.000 1.038 136 N HN 0.554 nan 8.380 nan 0.000 0.517 137 E N 0.898 121.091 120.200 -0.011 0.000 2.414 137 E HA 0.149 4.516 4.350 0.028 0.000 0.263 137 E C -0.512 175.964 176.600 -0.206 0.000 1.000 137 E CA 0.299 56.628 56.400 -0.118 0.000 0.914 137 E CB 0.944 30.564 29.700 -0.134 0.000 0.948 137 E HN 0.254 nan 8.360 nan 0.000 0.444 138 L N 3.577 124.652 121.223 -0.247 0.000 2.362 138 L HA 0.405 4.762 4.340 0.028 0.000 0.275 138 L C -0.351 176.357 176.870 -0.270 0.000 0.998 138 L CA -0.952 53.704 54.840 -0.307 0.000 0.820 138 L CB 1.297 43.139 42.059 -0.362 0.000 1.270 138 L HN 0.606 nan 8.230 nan 0.000 0.415 139 N N -0.020 118.538 118.700 -0.237 0.000 2.697 139 N HA 0.278 5.034 4.740 0.028 0.000 0.272 139 N C 0.013 175.416 175.510 -0.178 0.000 1.381 139 N CA -1.033 51.888 53.050 -0.214 0.000 0.797 139 N CB 0.406 38.842 38.487 -0.086 0.000 1.523 139 N HN 0.485 nan 8.380 nan 0.000 0.518 140 W N -0.578 120.695 121.300 -0.044 0.000 2.321 140 W HA -0.136 4.541 4.660 0.029 0.000 0.285 140 W C 0.732 177.223 176.519 -0.048 0.000 1.213 140 W CA 0.780 58.090 57.345 -0.059 0.000 1.205 140 W CB -0.091 29.338 29.460 -0.051 0.000 1.134 140 W HN 0.540 nan 8.180 nan 0.000 0.549 141 Q N -0.579 119.325 119.800 0.173 0.000 2.242 141 Q HA 0.170 4.526 4.340 0.028 0.000 0.246 141 Q C 0.167 176.214 176.000 0.080 0.000 0.883 141 Q CA 0.266 56.153 55.803 0.140 0.000 0.984 141 Q CB 0.769 29.572 28.738 0.107 0.000 1.096 141 Q HN -0.187 nan 8.270 nan 0.000 0.452 142 T N -0.737 113.836 114.554 0.032 0.000 2.932 142 T HA 0.310 4.677 4.350 0.028 0.000 0.289 142 T C 0.952 175.673 174.700 0.036 0.000 1.039 142 T CA -0.659 61.431 62.100 -0.016 0.000 1.024 142 T CB 0.801 69.591 68.868 -0.130 0.000 1.090 142 T HN 0.001 nan 8.240 nan 0.000 0.496 143 I N 2.730 123.335 120.570 0.059 0.000 2.394 143 I HA 0.073 4.260 4.170 0.028 0.000 0.251 143 I C -1.410 174.808 176.117 0.167 0.000 1.136 143 I CA 0.523 61.906 61.300 0.139 0.000 1.425 143 I CB -1.616 36.467 38.000 0.138 0.000 1.079 143 I HN 0.428 nan 8.210 nan 0.000 0.425 144 P HA 0.289 nan 4.420 nan 0.000 0.284 144 P C -2.669 174.569 177.300 -0.103 0.000 1.459 144 P CA -2.032 61.065 63.100 -0.005 0.000 0.982 144 P CB 1.202 32.885 31.700 -0.027 0.000 1.184 145 P HA 0.339 nan 4.420 nan 0.000 0.272 145 P C 0.313 177.388 177.300 -0.375 0.000 1.230 145 P CA 0.530 63.437 63.100 -0.322 0.000 0.788 145 P CB 0.965 32.354 31.700 -0.519 0.000 0.949 149 I N 5.101 125.629 120.570 -0.069 0.000 2.390 149 I HA 0.509 4.695 4.170 0.028 0.000 0.283 149 I C 0.519 176.613 176.117 -0.038 0.000 1.016 149 I CA -0.501 60.773 61.300 -0.043 0.000 1.151 149 I CB 1.837 39.816 38.000 -0.036 0.000 1.293 149 I HN 0.756 nan 8.210 nan 0.000 0.458 150 T N 1.073 115.608 114.554 -0.031 0.000 2.737 150 T HA 0.275 4.642 4.350 0.028 0.000 0.296 150 T C 0.066 174.758 174.700 -0.014 0.000 0.922 150 T CA -0.906 61.179 62.100 -0.025 0.000 1.079 150 T CB 0.370 69.224 68.868 -0.023 0.000 0.892 150 T HN 0.607 nan 8.240 nan 0.000 0.514 151 D N 2.787 123.182 120.400 -0.010 0.000 2.356 151 D HA 0.010 4.666 4.640 0.028 0.000 0.258 151 D C 1.581 177.881 176.300 -0.000 0.000 1.279 151 D CA -0.651 53.347 54.000 -0.004 0.000 1.016 151 D CB 0.514 41.313 40.800 -0.001 0.000 1.107 151 D HN 0.583 nan 8.370 nan 0.000 0.544 152 E N -0.229 119.973 120.200 0.002 0.000 2.130 152 E HA -0.227 4.139 4.350 0.028 0.000 0.196 152 E C -0.111 176.492 176.600 0.005 0.000 0.998 152 E CA 0.818 57.220 56.400 0.003 0.000 0.806 152 E CB -0.810 28.893 29.700 0.004 0.000 0.738 152 E HN 0.384 nan 8.360 nan 0.000 0.459 153 N N 1.041 119.746 118.700 0.007 0.000 2.399 153 N HA 0.138 4.895 4.740 0.028 0.000 0.250 153 N C 1.055 176.571 175.510 0.010 0.000 1.272 153 N CA 0.644 53.701 53.050 0.011 0.000 0.928 153 N CB 0.467 38.963 38.487 0.015 0.000 1.158 153 N HN 0.244 nan 8.380 nan 0.000 0.463 154 G N -0.552 108.257 108.800 0.014 0.000 2.882 154 G HA2 -0.132 3.844 3.960 0.028 0.000 0.206 154 G HA3 -0.132 3.844 3.960 0.028 0.000 0.206 154 G C 0.280 175.188 174.900 0.014 0.000 1.155 154 G CA 0.305 45.413 45.100 0.012 0.000 0.800 154 G HN 0.614 nan 8.290 nan 0.000 0.524 155 K N 0.408 120.817 120.400 0.016 0.000 2.130 155 K HA 0.522 4.858 4.320 0.028 0.000 0.268 155 K C -0.291 176.302 176.600 -0.012 0.000 0.983 155 K CA -0.798 55.498 56.287 0.015 0.000 0.893 155 K CB 1.633 34.155 32.500 0.036 0.000 1.066 155 K HN -0.113 nan 8.250 nan 0.000 0.450 156 K N 2.351 122.725 120.400 -0.042 0.000 2.098 156 K HA 0.279 4.615 4.320 0.028 0.000 0.261 156 K C -0.624 175.936 176.600 -0.066 0.000 0.987 156 K CA -0.789 55.457 56.287 -0.069 0.000 0.916 156 K CB 1.126 33.559 32.500 -0.113 0.000 1.039 156 K HN 0.484 nan 8.250 nan 0.000 0.455 157 K N 2.476 122.839 120.400 -0.063 0.000 2.601 157 K HA 0.112 4.449 4.320 0.028 0.000 0.249 157 K C -1.180 175.374 176.600 -0.077 0.000 0.966 157 K CA -0.704 55.549 56.287 -0.056 0.000 0.827 157 K CB 2.166 34.645 32.500 -0.036 0.000 1.178 157 K HN 0.428 nan 8.250 nan 0.000 0.437 158 Q N 1.476 121.231 119.800 -0.076 0.000 2.286 158 Q HA 0.212 4.568 4.340 0.028 0.000 0.257 158 Q C -0.968 174.969 176.000 -0.105 0.000 0.941 158 Q CA 0.315 56.068 55.803 -0.084 0.000 0.912 158 Q CB 1.059 29.762 28.738 -0.058 0.000 1.192 158 Q HN 0.425 nan 8.270 nan 0.000 0.410 159 S N 3.754 119.342 115.700 -0.188 0.000 2.503 159 S HA 0.727 5.213 4.470 0.028 0.000 0.301 159 S C -1.382 172.917 174.600 -0.502 0.000 1.087 159 S CA -0.584 57.399 58.200 -0.362 0.000 1.042 159 S CB 0.578 63.578 63.200 -0.334 0.000 1.043 159 S HN 0.593 nan 8.310 nan 0.000 0.489 160 Y N -1.434 118.379 120.300 -0.811 0.000 2.715 160 Y HA 0.731 5.297 4.550 0.026 0.000 0.331 160 Y C -0.704 174.532 175.900 -1.106 0.000 1.197 160 Y CA -1.401 56.030 58.100 -1.114 0.000 1.079 160 Y CB 0.517 38.524 38.460 -0.755 0.000 1.298 160 Y HN 0.428 nan 8.280 nan 0.000 0.477 161 F N -0.142 119.741 119.950 -0.112 0.000 2.746 161 F HA 0.223 4.767 4.527 0.027 0.000 0.320 161 F C 0.631 176.425 175.800 -0.011 0.000 1.097 161 F CA -0.720 57.222 58.000 -0.096 0.000 1.195 161 F CB -0.046 38.923 39.000 -0.051 0.000 1.056 161 F HN 0.548 nan 8.300 nan 0.000 0.562 162 H N -1.357 117.766 119.070 0.089 0.000 2.517 162 H HA 0.321 4.893 4.556 0.027 0.000 0.346 162 H C 0.277 175.623 175.328 0.031 0.000 1.222 162 H CA -0.519 55.550 56.048 0.035 0.000 1.314 162 H CB 1.132 30.801 29.762 -0.155 0.000 1.609 162 H HN -0.100 nan 8.280 nan 0.000 0.571 163 D N 0.777 121.345 120.400 0.279 0.000 2.120 163 D HA -0.033 4.623 4.640 0.028 0.000 0.202 163 D C 0.556 177.104 176.300 0.414 0.000 0.972 163 D CA 0.370 54.580 54.000 0.351 0.000 0.837 163 D CB -0.225 40.940 40.800 0.608 0.000 0.989 163 D HN 0.468 nan 8.370 nan 0.000 0.469 164 F N -0.186 120.121 119.950 0.595 0.000 2.545 164 F HA 0.199 4.742 4.527 0.026 0.000 0.348 164 F C 0.395 176.461 175.800 0.443 0.000 1.163 164 F CA -1.342 56.966 58.000 0.514 0.000 1.331 164 F CB -0.197 38.932 39.000 0.215 0.000 1.138 164 F HN -0.196 nan 8.300 nan 0.000 0.602 165 F N 2.446 122.571 119.950 0.292 0.000 2.496 165 F HA 0.141 4.687 4.527 0.031 0.000 0.344 165 F C 0.805 176.544 175.800 -0.103 0.000 1.155 165 F CA -0.381 57.625 58.000 0.009 0.000 1.302 165 F CB 0.403 39.233 39.000 -0.282 0.000 1.159 165 F HN 0.645 nan 8.300 nan 0.000 0.595 166 N N 4.197 122.232 118.700 -1.109 0.000 3.303 166 N HA 0.047 4.803 4.740 0.028 0.000 0.304 166 N C -1.372 173.841 175.510 -0.495 0.000 1.302 166 N CA -0.101 52.462 53.050 -0.811 0.000 1.213 166 N CB -0.793 36.996 38.487 -1.163 0.000 1.481 166 N HN 0.381 nan 8.380 nan 0.000 0.546 167 Y N 0.586 120.894 120.300 0.012 0.000 2.480 167 Y HA 0.358 4.923 4.550 0.025 0.000 0.338 167 Y C 0.998 176.897 175.900 -0.001 0.000 1.220 167 Y CA -0.046 58.123 58.100 0.116 0.000 1.430 167 Y CB 0.639 39.209 38.460 0.183 0.000 1.311 167 Y HN 0.347 nan 8.280 nan 0.000 0.575 168 A N 0.678 123.546 122.820 0.081 0.000 2.567 168 A HA 0.915 5.251 4.320 0.028 0.000 0.289 168 A C -0.041 177.483 177.584 -0.101 0.000 1.177 168 A CA -0.198 51.754 52.037 -0.141 0.000 0.694 168 A CB 1.246 20.259 19.000 0.021 0.000 1.292 168 A HN 1.510 nan 8.150 nan 0.000 0.425 169 G N -1.444 107.349 108.800 -0.012 0.000 2.434 169 G HA2 0.213 4.190 3.960 0.028 0.000 0.671 169 G HA3 0.213 4.190 3.960 0.028 0.000 0.671 169 G C -0.731 173.994 174.900 -0.292 0.000 1.280 169 G CA -0.416 44.809 45.100 0.207 0.000 0.975 169 G HN 1.225 nan 8.290 nan 0.000 0.510 170 I N 1.563 121.941 120.570 -0.321 0.000 2.311 170 I HA 0.216 4.403 4.170 0.028 0.000 0.297 170 I C 1.349 177.395 176.117 -0.118 0.000 1.131 170 I CA -0.140 60.944 61.300 -0.361 0.000 1.289 170 I CB 0.214 37.851 38.000 -0.605 0.000 1.446 170 I HN 0.633 nan 8.210 nan 0.000 0.524 171 H N 4.820 123.834 119.070 -0.093 0.000 2.482 171 H HA 0.175 4.749 4.556 0.029 0.000 0.286 171 H C 0.772 176.099 175.328 -0.002 0.000 1.017 171 H CA 0.344 56.361 56.048 -0.052 0.000 1.322 171 H CB 0.492 30.223 29.762 -0.052 0.000 1.426 171 H HN 0.495 nan 8.280 nan 0.000 0.546 172 R N -0.271 120.294 120.500 0.109 0.000 2.950 172 R HA 0.319 4.676 4.340 0.028 0.000 0.253 172 R C -0.442 175.868 176.300 0.017 0.000 1.168 172 R CA -0.821 55.323 56.100 0.074 0.000 1.014 172 R CB 1.576 31.902 30.300 0.044 0.000 1.228 172 R HN -0.071 nan 8.270 nan 0.000 0.487 173 S N 0.886 116.584 115.700 -0.003 0.000 2.563 173 S HA 0.095 4.582 4.470 0.028 0.000 0.294 173 S C 0.123 174.679 174.600 -0.075 0.000 1.279 173 S CA -0.404 57.786 58.200 -0.017 0.000 1.069 173 S CB 0.247 63.431 63.200 -0.026 0.000 0.828 173 S HN 0.373 nan 8.310 nan 0.000 0.497 177 Y N 0.194 120.437 120.300 -0.096 0.000 2.492 177 Y HA 0.850 5.417 4.550 0.028 0.000 0.346 177 Y C -0.357 175.249 175.900 -0.490 0.000 0.997 177 Y CA -0.767 57.195 58.100 -0.230 0.000 1.025 177 Y CB 2.040 40.436 38.460 -0.106 0.000 1.263 177 Y HN 0.538 nan 8.280 nan 0.000 0.454 178 T N 2.207 116.369 114.554 -0.653 0.000 2.934 178 T HA 0.762 5.129 4.350 0.028 0.000 0.283 178 T C -0.969 173.469 174.700 -0.438 0.000 1.005 178 T CA -0.107 61.470 62.100 -0.871 0.000 1.041 178 T CB 1.000 69.018 68.868 -1.417 0.000 1.042 178 T HN 0.873 nan 8.240 nan 0.000 0.505 179 T N 4.200 118.499 114.554 -0.424 0.000 2.942 179 T HA 0.470 4.836 4.350 0.028 0.000 0.327 179 T C -2.774 171.794 174.700 -0.221 0.000 1.360 179 T CA -0.729 61.225 62.100 -0.243 0.000 1.055 179 T CB 1.866 70.576 68.868 -0.263 0.000 1.261 179 T HN 0.328 nan 8.240 nan 0.000 0.485 180 P HA 0.233 nan 4.420 nan 0.000 0.272 180 P C 0.299 177.554 177.300 -0.076 0.000 1.248 180 P CA -0.081 62.986 63.100 -0.056 0.000 0.799 180 P CB 0.505 32.218 31.700 0.022 0.000 0.997 181 N N -2.238 116.444 118.700 -0.029 0.000 2.446 181 N HA -0.008 4.748 4.740 0.028 0.000 0.179 181 N C -0.228 175.412 175.510 0.217 0.000 1.054 181 N CA 0.641 53.693 53.050 0.004 0.000 0.905 181 N CB -0.094 38.387 38.487 -0.010 0.000 0.973 181 N HN 0.309 nan 8.380 nan 0.000 0.448 182 T N 2.377 117.044 114.554 0.189 0.000 2.738 182 T HA 0.214 4.580 4.350 0.028 0.000 0.298 182 T C -1.050 173.819 174.700 0.282 0.000 0.962 182 T CA -0.548 61.676 62.100 0.207 0.000 0.972 182 T CB 0.163 69.082 68.868 0.085 0.000 0.928 182 T HN 0.220 nan 8.240 nan 0.000 0.474 183 W N 2.399 123.663 121.300 -0.060 0.000 3.097 183 W HA 0.577 5.253 4.660 0.027 0.000 0.335 183 W C -1.294 175.177 176.519 -0.080 0.000 1.114 183 W CA -1.611 55.700 57.345 -0.057 0.000 1.231 183 W CB -0.407 29.018 29.460 -0.059 0.000 1.388 183 W HN 0.092 nan 8.180 nan 0.000 0.485 184 V N 4.601 124.493 119.914 -0.037 0.000 2.529 184 V HA -0.065 4.072 4.120 0.028 0.000 0.292 184 V C 1.111 177.065 176.094 -0.233 0.000 1.028 184 V CA 1.091 63.265 62.300 -0.209 0.000 1.074 184 V CB 0.645 32.364 31.823 -0.172 0.000 0.958 184 V HN 0.688 nan 8.190 nan 0.000 0.481 185 D N 1.720 121.856 120.400 -0.442 0.000 2.500 185 D HA 0.157 4.813 4.640 0.028 0.000 0.217 185 D C -0.103 176.075 176.300 -0.204 0.000 1.159 185 D CA -0.078 53.710 54.000 -0.355 0.000 0.828 185 D CB 0.937 41.186 40.800 -0.919 0.000 1.039 185 D HN 0.526 nan 8.370 nan 0.000 0.512 186 D N -0.245 120.006 120.400 -0.247 0.000 2.706 186 D HA 0.516 5.172 4.640 0.028 0.000 0.225 186 D C -1.388 174.773 176.300 -0.232 0.000 1.241 186 D CA -0.371 53.539 54.000 -0.150 0.000 0.784 186 D CB 1.937 42.738 40.800 0.001 0.000 1.521 186 D HN 0.041 nan 8.370 nan 0.000 0.461 187 I N 1.069 121.546 120.570 -0.154 0.000 2.775 187 I HA 0.406 4.593 4.170 0.028 0.000 0.295 187 I C -0.904 175.229 176.117 0.027 0.000 1.287 187 I CA -0.537 60.694 61.300 -0.116 0.000 1.029 187 I CB 2.710 40.629 38.000 -0.134 0.000 1.282 187 I HN 0.172 nan 8.210 nan 0.000 0.426 188 T N 4.321 118.956 114.554 0.134 0.000 2.921 188 T HA 0.628 4.995 4.350 0.028 0.000 0.297 188 T C -0.928 173.863 174.700 0.152 0.000 1.013 188 T CA -0.542 61.687 62.100 0.216 0.000 0.990 188 T CB 2.248 71.395 68.868 0.464 0.000 1.023 188 T HN 0.209 nan 8.240 nan 0.000 0.447 189 V N 3.248 123.199 119.914 0.062 0.000 2.638 189 V HA 0.654 4.791 4.120 0.028 0.000 0.306 189 V C -0.679 175.379 176.094 -0.059 0.000 1.052 189 V CA -0.767 61.537 62.300 0.007 0.000 0.885 189 V CB 2.136 33.951 31.823 -0.014 0.000 0.999 189 V HN 0.733 nan 8.190 nan 0.000 0.424 190 V N 3.007 122.849 119.914 -0.120 0.000 2.540 190 V HA 0.540 4.677 4.120 0.028 0.000 0.302 190 V C -0.038 175.798 176.094 -0.430 0.000 1.035 190 V CA -0.385 61.757 62.300 -0.264 0.000 0.873 190 V CB 2.332 33.988 31.823 -0.278 0.000 0.992 190 V HN 0.929 nan 8.190 nan 0.000 0.428 191 T N 3.795 118.091 114.554 -0.429 0.000 2.874 191 T HA 0.440 4.807 4.350 0.028 0.000 0.321 191 T C -0.491 173.965 174.700 -0.406 0.000 1.075 191 T CA -0.377 61.503 62.100 -0.366 0.000 0.966 191 T CB -0.098 68.648 68.868 -0.202 0.000 1.001 191 T HN 0.709 nan 8.240 nan 0.000 0.476 192 H N 0.960 119.911 119.070 -0.198 0.000 2.620 192 H HA 0.627 5.199 4.556 0.028 0.000 0.313 192 H C -0.051 175.072 175.328 -0.342 0.000 1.075 192 H CA -0.547 55.308 56.048 -0.321 0.000 1.397 192 H CB 1.041 30.496 29.762 -0.511 0.000 1.446 192 H HN 0.323 nan 8.280 nan 0.000 0.493 193 V N 1.850 121.760 119.914 -0.007 0.000 3.001 193 V HA 0.839 4.975 4.120 0.028 0.000 0.314 193 V C -1.139 175.244 176.094 0.482 0.000 1.099 193 V CA -0.689 61.751 62.300 0.232 0.000 0.989 193 V CB 1.932 33.877 31.823 0.203 0.000 1.040 193 V HN 0.951 nan 8.190 nan 0.000 0.434 194 A N 3.509 126.612 122.820 0.471 0.000 2.547 194 A HA 0.629 4.965 4.320 0.028 0.000 0.279 194 A C -0.139 177.399 177.584 -0.076 0.000 1.088 194 A CA 0.367 52.497 52.037 0.154 0.000 0.796 194 A CB 1.190 20.317 19.000 0.212 0.000 1.308 194 A HN 1.247 nan 8.150 nan 0.000 0.415 195 Q N 1.390 120.997 119.800 -0.321 0.000 2.460 195 Q HA -0.231 4.125 4.340 0.028 0.000 0.248 195 Q C -0.190 175.795 176.000 -0.026 0.000 0.847 195 Q CA 1.307 57.005 55.803 -0.174 0.000 1.214 195 Q CB -0.990 27.659 28.738 -0.148 0.000 1.523 195 Q HN 1.003 nan 8.270 nan 0.000 0.602 196 D N -3.423 117.010 120.400 0.055 0.000 3.041 196 D HA -0.240 4.417 4.640 0.028 0.000 0.220 196 D C 0.742 177.057 176.300 0.025 0.000 1.157 196 D CA 1.225 55.269 54.000 0.072 0.000 0.876 196 D CB -2.073 38.777 40.800 0.082 0.000 1.107 196 D HN 0.602 nan 8.370 nan 0.000 0.422 197 C N -1.641 117.660 119.300 0.001 0.000 2.563 197 C HA 0.481 4.957 4.460 0.028 0.000 0.346 197 C C 0.770 175.739 174.990 -0.036 0.000 1.334 197 C CA 0.268 59.270 59.018 -0.027 0.000 1.938 197 C CB -0.279 27.437 27.740 -0.040 0.000 2.445 197 C HN 0.391 nan 8.230 nan 0.000 0.541 198 N N -0.816 117.868 118.700 -0.027 0.000 2.928 198 N HA 0.501 5.257 4.740 0.028 0.000 0.247 198 N C -1.458 174.056 175.510 0.006 0.000 1.141 198 N CA 0.010 53.040 53.050 -0.033 0.000 0.977 198 N CB 0.848 39.270 38.487 -0.109 0.000 1.663 198 N HN 0.502 nan 8.380 nan 0.000 0.509 199 H N -0.019 119.047 119.070 -0.007 0.000 2.895 199 H HA 0.617 5.190 4.556 0.028 0.000 0.258 199 H C -1.370 173.961 175.328 0.004 0.000 1.423 199 H CA -0.023 56.030 56.048 0.009 0.000 1.235 199 H CB 0.619 30.409 29.762 0.047 0.000 1.818 199 H HN 0.699 nan 8.280 nan 0.000 0.457 200 A N 0.631 123.676 122.820 0.375 0.000 2.242 200 A HA 0.707 5.043 4.320 0.028 0.000 0.304 200 A C -0.522 177.102 177.584 0.067 0.000 1.100 200 A CA -0.077 52.052 52.037 0.153 0.000 0.860 200 A CB 0.599 19.715 19.000 0.193 0.000 1.168 200 A HN 0.468 nan 8.150 nan 0.000 0.503 201 S N -0.037 115.676 115.700 0.022 0.000 2.561 201 S HA 0.494 4.980 4.470 0.028 0.000 0.303 201 S C -0.305 174.305 174.600 0.016 0.000 1.110 201 S CA -0.535 57.644 58.200 -0.036 0.000 1.034 201 S CB 1.202 64.358 63.200 -0.074 0.000 1.010 201 S HN 1.461 nan 8.310 nan 0.000 0.482 202 V N 0.588 120.515 119.914 0.021 0.000 2.508 202 V HA 0.567 4.703 4.120 0.028 0.000 0.281 202 V C -0.595 175.535 176.094 0.060 0.000 1.041 202 V CA -0.578 61.764 62.300 0.070 0.000 1.016 202 V CB 0.188 32.077 31.823 0.110 0.000 0.984 202 V HN 0.873 nan 8.190 nan 0.000 0.478 203 D N 4.085 124.539 120.400 0.089 0.000 2.256 203 D HA 0.608 5.265 4.640 0.028 0.000 0.246 203 D C -0.946 175.473 176.300 0.198 0.000 1.042 203 D CA -0.515 53.548 54.000 0.106 0.000 0.841 203 D CB 1.564 42.398 40.800 0.057 0.000 1.223 203 D HN 0.907 nan 8.370 nan 0.000 0.470 204 W N 2.591 123.876 121.300 -0.025 0.000 3.326 204 W HA 0.396 5.072 4.660 0.027 0.000 0.333 204 W C -1.995 174.503 176.519 -0.036 0.000 1.108 204 W CA -0.463 56.867 57.345 -0.025 0.000 1.245 204 W CB 1.469 30.917 29.460 -0.021 0.000 1.331 204 W HN 0.675 nan 8.180 nan 0.000 0.464 205 Q N 3.435 122.801 119.800 -0.723 0.000 2.511 205 Q HA 0.793 5.150 4.340 0.028 0.000 0.289 205 Q C -2.252 173.291 176.000 -0.761 0.000 1.021 205 Q CA -1.109 54.276 55.803 -0.696 0.000 0.785 205 Q CB 2.281 30.817 28.738 -0.336 0.000 1.472 205 Q HN 0.237 nan 8.270 nan 0.000 0.411 206 V N 1.279 120.834 119.914 -0.598 0.000 2.513 206 V HA 0.802 4.939 4.120 0.028 0.000 0.299 206 V C -0.725 175.116 176.094 -0.421 0.000 1.035 206 V CA -0.646 61.371 62.300 -0.473 0.000 0.889 206 V CB 1.659 33.264 31.823 -0.363 0.000 0.988 206 V HN 0.698 nan 8.190 nan 0.000 0.440 207 V N 2.635 122.316 119.914 -0.388 0.000 2.962 207 V HA 0.708 4.844 4.120 0.028 0.000 0.313 207 V C 0.134 175.976 176.094 -0.419 0.000 1.099 207 V CA -0.609 61.457 62.300 -0.391 0.000 0.971 207 V CB 2.391 34.056 31.823 -0.264 0.000 1.028 207 V HN 0.953 nan 8.190 nan 0.000 0.430 208 A N 2.914 125.432 122.820 -0.504 0.000 3.015 208 A HA 0.413 4.749 4.320 0.028 0.000 0.293 208 A C 0.760 178.248 177.584 -0.161 0.000 1.572 208 A CA 0.550 52.358 52.037 -0.381 0.000 1.274 208 A CB -1.416 17.291 19.000 -0.488 0.000 1.156 208 A HN 1.253 nan 8.150 nan 0.000 0.562 209 N N -0.333 118.284 118.700 -0.138 0.000 2.828 209 N HA -0.168 4.589 4.740 0.028 0.000 0.248 209 N C 0.450 175.923 175.510 -0.063 0.000 1.044 209 N CA 0.912 53.914 53.050 -0.080 0.000 0.851 209 N CB -0.821 37.641 38.487 -0.042 0.000 1.136 209 N HN 0.875 nan 8.380 nan 0.000 0.572 210 G N -0.130 108.621 108.800 -0.081 0.000 2.415 210 G HA2 0.383 4.360 3.960 0.028 0.000 0.327 210 G HA3 0.383 4.360 3.960 0.028 0.000 0.327 210 G C -0.889 173.975 174.900 -0.062 0.000 1.182 210 G CA -0.512 44.553 45.100 -0.058 0.000 0.924 210 G HN 0.246 nan 8.290 nan 0.000 0.470 211 D N 0.868 121.244 120.400 -0.040 0.000 2.425 211 D HA 0.159 4.815 4.640 0.028 0.000 0.247 211 D C 0.628 176.908 176.300 -0.034 0.000 1.147 211 D CA 0.335 54.313 54.000 -0.036 0.000 0.879 211 D CB 2.234 43.021 40.800 -0.022 0.000 1.179 211 D HN 0.300 nan 8.370 nan 0.000 0.456 212 V N 0.140 120.030 119.914 -0.040 0.000 2.370 212 V HA 0.357 4.494 4.120 0.028 0.000 0.279 212 V C 0.065 176.150 176.094 -0.015 0.000 1.029 212 V CA -0.699 61.580 62.300 -0.035 0.000 0.870 212 V CB 1.623 33.411 31.823 -0.058 0.000 0.984 212 V HN 0.407 nan 8.190 nan 0.000 0.451 213 S N 5.003 120.701 115.700 -0.003 0.000 2.415 213 S HA 0.515 5.001 4.470 0.028 0.000 0.313 213 S C -0.378 174.231 174.600 0.015 0.000 1.067 213 S CA -0.471 57.733 58.200 0.007 0.000 1.099 213 S CB 0.354 63.561 63.200 0.012 0.000 0.991 213 S HN 0.886 nan 8.310 nan 0.000 0.491 214 V N 7.049 126.972 119.914 0.015 0.000 2.385 214 V HA 0.375 4.512 4.120 0.028 0.000 0.269 214 V C 0.046 176.160 176.094 0.032 0.000 1.043 214 V CA -0.432 61.883 62.300 0.024 0.000 0.906 214 V CB 0.794 32.628 31.823 0.019 0.000 0.995 214 V HN 0.890 nan 8.190 nan 0.000 0.467 215 E N 5.215 125.440 120.200 0.041 0.000 2.218 215 E HA 0.589 4.955 4.350 0.028 0.000 0.263 215 E C -1.157 175.483 176.600 0.066 0.000 0.879 215 E CA -1.015 55.414 56.400 0.049 0.000 0.762 215 E CB 2.588 32.315 29.700 0.045 0.000 1.166 215 E HN 0.409 nan 8.360 nan 0.000 0.415 216 L N 2.846 124.116 121.223 0.077 0.000 2.326 216 L HA 0.449 4.805 4.340 0.028 0.000 0.278 216 L C -0.501 176.466 176.870 0.163 0.000 1.092 216 L CA 0.010 54.919 54.840 0.116 0.000 0.810 216 L CB 0.755 42.867 42.059 0.089 0.000 1.153 216 L HN 0.582 nan 8.230 nan 0.000 0.439 217 R N 2.456 123.082 120.500 0.211 0.000 2.807 217 R HA 0.391 4.748 4.340 0.028 0.000 0.276 217 R C -1.015 175.404 176.300 0.198 0.000 0.979 217 R CA -0.997 55.209 56.100 0.175 0.000 0.928 217 R CB 1.516 31.866 30.300 0.084 0.000 1.191 217 R HN 0.655 nan 8.270 nan 0.000 0.471 218 D N 0.258 120.720 120.400 0.104 0.000 2.369 218 D HA 0.072 4.729 4.640 0.028 0.000 0.241 218 D C 1.064 177.285 176.300 -0.132 0.000 1.271 218 D CA 0.465 54.450 54.000 -0.026 0.000 0.942 218 D CB 0.632 41.434 40.800 0.003 0.000 1.129 218 D HN 0.599 nan 8.370 nan 0.000 0.476 219 A N 0.539 123.204 122.820 -0.257 0.000 2.019 219 A HA -0.142 4.194 4.320 0.028 0.000 0.219 219 A C 1.089 178.581 177.584 -0.153 0.000 1.164 219 A CA 1.284 53.148 52.037 -0.289 0.000 0.644 219 A CB -0.214 18.525 19.000 -0.436 0.000 0.805 219 A HN 0.477 nan 8.150 nan 0.000 0.449 220 D N -0.232 120.110 120.400 -0.097 0.000 2.319 220 D HA 0.072 4.729 4.640 0.028 0.000 0.230 220 D C 0.068 176.348 176.300 -0.034 0.000 1.094 220 D CA 0.291 54.256 54.000 -0.059 0.000 0.856 220 D CB 0.060 40.836 40.800 -0.039 0.000 0.915 220 D HN 0.391 nan 8.370 nan 0.000 0.517 221 Q N -0.345 119.436 119.800 -0.032 0.000 2.489 221 Q HA -0.201 4.155 4.340 0.028 0.000 0.259 221 Q C -0.322 175.686 176.000 0.013 0.000 0.934 221 Q CA 0.653 56.450 55.803 -0.010 0.000 1.131 221 Q CB -2.410 26.318 28.738 -0.017 0.000 1.472 221 Q HN 0.614 nan 8.270 nan 0.000 0.560 222 Q N -0.557 119.259 119.800 0.026 0.000 2.241 222 Q HA 0.573 4.929 4.340 0.028 0.000 0.254 222 Q C 0.200 176.242 176.000 0.071 0.000 0.917 222 Q CA -0.731 55.098 55.803 0.043 0.000 0.919 222 Q CB 1.516 30.279 28.738 0.042 0.000 1.237 222 Q HN 0.012 nan 8.270 nan 0.000 0.434 223 V N 3.198 123.150 119.914 0.064 0.000 2.390 223 V HA -0.040 4.096 4.120 0.028 0.000 0.260 223 V C 0.737 176.884 176.094 0.089 0.000 1.043 223 V CA -0.088 62.257 62.300 0.074 0.000 1.047 223 V CB 0.560 32.415 31.823 0.053 0.000 1.066 223 V HN 0.807 nan 8.190 nan 0.000 0.481 224 V N 4.100 124.090 119.914 0.127 0.000 3.649 224 V HA 0.641 4.778 4.120 0.028 0.000 0.275 224 V C 0.803 176.959 176.094 0.102 0.000 1.281 224 V CA 1.166 63.550 62.300 0.140 0.000 1.143 224 V CB -0.004 31.962 31.823 0.239 0.000 0.892 224 V HN 1.022 nan 8.190 nan 0.000 0.441 225 A N -0.712 122.158 122.820 0.084 0.000 2.569 225 A HA 0.672 5.008 4.320 0.028 0.000 0.292 225 A C -0.374 177.240 177.584 0.050 0.000 1.032 225 A CA 0.138 52.209 52.037 0.056 0.000 0.669 225 A CB 1.183 20.209 19.000 0.042 0.000 1.290 225 A HN 0.473 nan 8.150 nan 0.000 0.422 226 T N -0.933 113.644 114.554 0.038 0.000 2.933 226 T HA 0.818 5.185 4.350 0.028 0.000 0.305 226 T C 0.119 174.836 174.700 0.028 0.000 1.092 226 T CA 0.023 62.143 62.100 0.034 0.000 1.008 226 T CB 1.556 70.442 68.868 0.030 0.000 1.102 226 T HN 2.009 nan 8.240 nan 0.000 0.469 227 G N 0.218 109.034 108.800 0.027 0.000 2.820 227 G HA2 0.695 4.672 3.960 0.028 0.000 0.291 227 G HA3 0.695 4.672 3.960 0.028 0.000 0.291 227 G C -1.457 173.454 174.900 0.018 0.000 1.323 227 G CA -0.858 44.256 45.100 0.024 0.000 1.055 227 G HN 0.813 nan 8.290 nan 0.000 0.520 228 Q N -1.838 117.972 119.800 0.016 0.000 2.438 228 Q HA 0.543 4.900 4.340 0.028 0.000 0.272 228 Q C -0.502 175.502 176.000 0.006 0.000 0.994 228 Q CA 0.585 56.394 55.803 0.009 0.000 0.887 228 Q CB 2.056 30.800 28.738 0.010 0.000 1.432 228 Q HN 2.032 nan 8.270 nan 0.000 0.392 229 G N 0.813 109.611 108.800 -0.004 0.000 2.907 229 G HA2 -0.150 3.826 3.960 0.028 0.000 0.686 229 G HA3 -0.150 3.826 3.960 0.028 0.000 0.686 229 G C 0.208 175.092 174.900 -0.027 0.000 1.115 229 G CA -0.232 44.862 45.100 -0.010 0.000 0.760 229 G HN 0.581 nan 8.290 nan 0.000 0.620 230 T N 1.399 115.925 114.554 -0.047 0.000 3.077 230 T HA 0.167 4.534 4.350 0.028 0.000 0.269 230 T C 1.500 176.132 174.700 -0.113 0.000 1.146 230 T CA 1.648 63.694 62.100 -0.091 0.000 1.091 230 T CB -0.101 68.704 68.868 -0.104 0.000 0.892 230 T HN 0.728 nan 8.240 nan 0.000 0.533 231 S N -0.212 115.460 115.700 -0.046 0.000 2.747 231 S HA 0.651 5.138 4.470 0.028 0.000 0.300 231 S C 0.900 175.531 174.600 0.051 0.000 1.121 231 S CA -0.940 57.265 58.200 0.008 0.000 0.995 231 S CB 1.282 64.517 63.200 0.058 0.000 1.113 231 S HN 0.400 nan 8.310 nan 0.000 0.547 232 G N 0.512 109.407 108.800 0.158 0.000 2.683 232 G HA2 0.473 4.450 3.960 0.028 0.000 0.260 232 G HA3 0.473 4.450 3.960 0.028 0.000 0.260 232 G C 0.077 175.031 174.900 0.090 0.000 1.238 232 G CA 0.277 45.464 45.100 0.145 0.000 0.934 232 G HN 0.844 nan 8.290 nan 0.000 0.534 233 T N -3.293 111.311 114.554 0.084 0.000 2.618 233 T HA 0.696 5.063 4.350 0.028 0.000 0.286 233 T C -0.953 173.785 174.700 0.063 0.000 1.027 233 T CA -0.912 61.224 62.100 0.060 0.000 1.063 233 T CB 1.360 70.255 68.868 0.045 0.000 1.440 233 T HN 0.558 nan 8.240 nan 0.000 0.505 234 L N 0.842 122.097 121.223 0.053 0.000 2.580 234 L HA 0.460 4.817 4.340 0.028 0.000 0.266 234 L C -1.477 175.422 176.870 0.049 0.000 0.955 234 L CA -0.672 54.205 54.840 0.062 0.000 0.886 234 L CB 2.268 44.364 42.059 0.061 0.000 1.263 234 L HN 0.654 nan 8.230 nan 0.000 0.406 235 Q N 2.741 122.568 119.800 0.044 0.000 2.425 235 Q HA 0.431 4.787 4.340 0.028 0.000 0.254 235 Q C -0.816 175.206 176.000 0.036 0.000 1.032 235 Q CA -0.292 55.529 55.803 0.030 0.000 0.798 235 Q CB 2.254 31.000 28.738 0.014 0.000 1.210 235 Q HN 0.369 nan 8.270 nan 0.000 0.491 236 V N 3.987 123.925 119.914 0.040 0.000 2.284 236 V HA 0.437 4.574 4.120 0.028 0.000 0.260 236 V C -0.081 176.023 176.094 0.016 0.000 1.084 236 V CA -0.631 61.697 62.300 0.047 0.000 0.894 236 V CB -0.073 31.775 31.823 0.041 0.000 1.119 236 V HN 0.519 nan 8.190 nan 0.000 0.484 237 V N 1.759 121.678 119.914 0.008 0.000 3.040 237 V HA 0.703 4.839 4.120 0.028 0.000 0.312 237 V C -0.356 175.725 176.094 -0.022 0.000 1.115 237 V CA -1.329 60.968 62.300 -0.006 0.000 0.998 237 V CB 2.269 34.095 31.823 0.006 0.000 1.042 237 V HN 0.773 nan 8.190 nan 0.000 0.433 238 N N 2.382 121.061 118.700 -0.035 0.000 2.458 238 N HA 0.708 5.465 4.740 0.028 0.000 0.270 238 N C -2.410 173.031 175.510 -0.115 0.000 1.102 238 N CA -0.703 52.308 53.050 -0.066 0.000 0.967 238 N CB 1.225 39.669 38.487 -0.072 0.000 1.078 238 N HN 0.667 nan 8.380 nan 0.000 0.471 239 P HA 0.457 nan 4.420 nan 0.000 0.319 239 P C -1.377 175.691 177.300 -0.385 0.000 1.291 239 P CA -0.706 62.318 63.100 -0.127 0.000 0.817 239 P CB 0.865 32.556 31.700 -0.014 0.000 1.349 240 H N -1.037 118.104 119.070 0.118 0.000 2.860 240 H HA 0.442 5.014 4.556 0.028 0.000 0.312 240 H C -0.624 174.731 175.328 0.045 0.000 0.995 240 H CA -0.601 55.352 56.048 -0.158 0.000 1.311 240 H CB 0.026 29.266 29.762 -0.870 0.000 1.478 240 H HN 0.021 nan 8.280 nan 0.000 0.508 241 L N 1.628 122.940 121.223 0.148 0.000 2.453 241 L HA -0.004 4.352 4.340 0.028 0.000 0.272 241 L C 0.263 177.308 176.870 0.291 0.000 1.182 241 L CA 0.123 55.095 54.840 0.220 0.000 0.858 241 L CB 0.319 42.471 42.059 0.155 0.000 1.120 241 L HN 0.660 nan 8.230 nan 0.000 0.474 242 W N 4.641 126.047 121.300 0.177 0.000 2.659 242 W HA 0.153 4.829 4.660 0.027 0.000 0.342 242 W C -0.177 176.397 176.519 0.091 0.000 1.287 242 W CA -0.099 57.335 57.345 0.149 0.000 1.460 242 W CB 0.063 29.594 29.460 0.120 0.000 1.503 242 W HN 0.425 nan 8.180 nan 0.000 0.483 243 Q N 6.515 126.200 119.800 -0.192 0.000 2.257 243 Q HA 0.214 4.571 4.340 0.028 0.000 0.262 243 Q C -1.594 174.133 176.000 -0.454 0.000 0.997 243 Q CA -1.891 53.816 55.803 -0.160 0.000 0.873 243 Q CB 1.531 30.236 28.738 -0.054 0.000 1.312 243 Q HN 0.266 nan 8.270 nan 0.000 0.450 244 P HA -0.153 nan 4.420 nan 0.000 0.218 244 P C 1.088 178.410 177.300 0.036 0.000 1.148 244 P CA 1.531 64.645 63.100 0.024 0.000 0.822 244 P CB 0.241 32.227 31.700 0.477 0.000 0.784 245 G N 0.029 108.680 108.800 -0.248 0.000 2.511 245 G HA2 -0.212 3.765 3.960 0.028 0.000 0.216 245 G HA3 -0.212 3.765 3.960 0.028 0.000 0.216 245 G C 1.448 176.112 174.900 -0.394 0.000 1.218 245 G CA 0.893 45.553 45.100 -0.734 0.000 0.788 245 G HN 0.203 nan 8.290 nan 0.000 0.560 246 E N -0.441 119.565 120.200 -0.323 0.000 2.485 246 E HA 0.186 4.553 4.350 0.028 0.000 0.213 246 E C 1.386 177.784 176.600 -0.337 0.000 0.923 246 E CA 0.528 56.769 56.400 -0.264 0.000 1.054 246 E CB 0.448 30.035 29.700 -0.187 0.000 1.077 246 E HN 0.446 nan 8.360 nan 0.000 0.509 247 G N 2.764 111.242 108.800 -0.537 0.000 2.359 247 G HA2 -0.336 3.640 3.960 0.028 0.000 0.298 247 G HA3 -0.336 3.640 3.960 0.028 0.000 0.298 247 G C -0.134 174.533 174.900 -0.389 0.000 1.030 247 G CA 0.531 45.111 45.100 -0.867 0.000 1.149 247 G HN 0.284 nan 8.290 nan 0.000 0.512 248 Y N -0.884 119.266 120.300 -0.250 0.000 2.890 248 Y HA 0.313 4.879 4.550 0.028 0.000 0.341 248 Y C 0.665 176.630 175.900 0.108 0.000 1.269 248 Y CA 0.534 58.588 58.100 -0.077 0.000 1.517 248 Y CB 0.365 38.812 38.460 -0.022 0.000 1.314 248 Y HN 0.396 nan 8.280 nan 0.000 0.622 249 L N 6.115 127.114 121.223 -0.374 0.000 2.439 249 L HA 0.348 4.704 4.340 0.028 0.000 0.270 249 L C -1.346 175.397 176.870 -0.212 0.000 0.972 249 L CA -0.350 54.452 54.840 -0.064 0.000 0.836 249 L CB 1.310 43.348 42.059 -0.036 0.000 1.255 249 L HN 0.554 nan 8.230 nan 0.000 0.404 250 Y N 1.214 121.553 120.300 0.065 0.000 2.316 250 Y HA 0.390 4.957 4.550 0.028 0.000 0.324 250 Y C 0.508 176.421 175.900 0.021 0.000 1.267 250 Y CA -0.217 57.928 58.100 0.075 0.000 1.311 250 Y CB 1.159 39.710 38.460 0.151 0.000 1.267 250 Y HN 0.455 nan 8.280 nan 0.000 0.516 251 E N 2.899 123.200 120.200 0.169 0.000 2.207 251 E HA 0.228 4.594 4.350 0.028 0.000 0.250 251 E C -1.872 174.791 176.600 0.105 0.000 0.890 251 E CA -0.841 55.612 56.400 0.089 0.000 0.749 251 E CB 0.846 30.557 29.700 0.019 0.000 1.193 251 E HN 0.570 nan 8.360 nan 0.000 0.423 252 L N 6.116 127.400 121.223 0.101 0.000 2.312 252 L HA 0.227 4.584 4.340 0.028 0.000 0.287 252 L C -0.601 176.318 176.870 0.082 0.000 1.091 252 L CA -0.119 54.774 54.840 0.088 0.000 0.846 252 L CB 0.347 42.450 42.059 0.074 0.000 1.219 252 L HN 0.629 nan 8.230 nan 0.000 0.439 253 C N 5.448 124.790 119.300 0.070 0.000 2.499 253 C HA 0.508 4.984 4.460 0.028 0.000 0.386 253 C C 0.219 175.255 174.990 0.077 0.000 1.293 253 C CA -0.577 58.483 59.018 0.069 0.000 1.884 253 C CB -0.079 27.689 27.740 0.046 0.000 2.509 253 C HN 0.609 nan 8.230 nan 0.000 0.566 254 V N 6.940 126.921 119.914 0.111 0.000 2.370 254 V HA 0.449 4.586 4.120 0.028 0.000 0.283 254 V C 0.251 176.388 176.094 0.072 0.000 1.023 254 V CA -0.049 62.298 62.300 0.079 0.000 0.857 254 V CB 2.033 33.895 31.823 0.065 0.000 0.985 254 V HN 0.988 nan 8.190 nan 0.000 0.443 255 T N 4.629 119.203 114.554 0.034 0.000 2.815 255 T HA 0.707 5.074 4.350 0.028 0.000 0.289 255 T C -0.088 174.615 174.700 0.005 0.000 1.000 255 T CA -0.314 61.803 62.100 0.030 0.000 0.958 255 T CB 1.494 70.377 68.868 0.026 0.000 0.944 255 T HN 0.830 nan 8.240 nan 0.000 0.442 256 A N 3.847 126.670 122.820 0.006 0.000 2.317 256 A HA 0.790 5.126 4.320 0.028 0.000 0.327 256 A C -0.285 177.299 177.584 0.000 0.000 1.178 256 A CA -0.842 51.185 52.037 -0.017 0.000 0.817 256 A CB 0.833 19.810 19.000 -0.039 0.000 1.189 256 A HN 0.753 nan 8.150 nan 0.000 0.489 257 K N 1.145 121.540 120.400 -0.009 0.000 2.443 257 K HA 0.568 4.905 4.320 0.028 0.000 0.252 257 K C -0.510 176.089 176.600 -0.002 0.000 0.933 257 K CA -0.397 55.890 56.287 0.001 0.000 0.792 257 K CB 2.177 34.677 32.500 0.000 0.000 1.185 257 K HN 0.662 nan 8.250 nan 0.000 0.425 258 S N 1.138 116.842 115.700 0.007 0.000 2.739 258 S HA 0.140 4.627 4.470 0.028 0.000 0.306 258 S C 0.699 175.303 174.600 0.007 0.000 1.115 258 S CA -0.410 57.794 58.200 0.006 0.000 0.985 258 S CB 1.376 64.585 63.200 0.014 0.000 1.133 258 S HN 0.654 nan 8.310 nan 0.000 0.541 259 Q N -0.090 119.713 119.800 0.005 0.000 2.364 259 Q HA 0.004 4.360 4.340 0.028 0.000 0.207 259 Q C 1.067 177.071 176.000 0.008 0.000 0.970 259 Q CA 1.440 57.246 55.803 0.006 0.000 0.888 259 Q CB -0.018 28.722 28.738 0.004 0.000 0.951 259 Q HN 0.685 nan 8.270 nan 0.000 0.469 260 T N -0.741 113.819 114.554 0.010 0.000 3.026 260 T HA 0.125 4.492 4.350 0.028 0.000 0.245 260 T C 0.034 174.742 174.700 0.014 0.000 1.004 260 T CA 0.211 62.317 62.100 0.011 0.000 1.069 260 T CB 0.522 69.396 68.868 0.010 0.000 1.005 260 T HN 0.058 nan 8.240 nan 0.000 0.472 261 E N -0.312 119.899 120.200 0.017 0.000 2.288 261 E HA 0.579 4.945 4.350 0.028 0.000 0.268 261 E C -1.692 174.923 176.600 0.026 0.000 0.885 261 E CA -0.567 55.846 56.400 0.022 0.000 0.767 261 E CB 2.509 32.224 29.700 0.025 0.000 1.220 261 E HN 0.097 nan 8.360 nan 0.000 0.427 262 C N 2.057 121.374 119.300 0.028 0.000 2.441 262 C HA 0.489 4.966 4.460 0.028 0.000 0.318 262 C C -1.337 173.679 174.990 0.042 0.000 1.222 262 C CA -0.442 58.594 59.018 0.030 0.000 1.474 262 C CB 0.784 28.539 27.740 0.025 0.000 2.125 262 C HN 0.734 nan 8.230 nan 0.000 0.479 263 D N 4.210 124.641 120.400 0.052 0.000 2.492 263 D HA 0.532 5.189 4.640 0.028 0.000 0.248 263 D C -0.691 175.658 176.300 0.082 0.000 1.101 263 D CA -0.233 53.812 54.000 0.076 0.000 0.840 263 D CB 0.846 41.708 40.800 0.103 0.000 1.209 263 D HN 0.363 nan 8.370 nan 0.000 0.524 264 I N 3.753 124.376 120.570 0.089 0.000 2.412 264 I HA 0.337 4.524 4.170 0.028 0.000 0.296 264 I C -0.959 175.250 176.117 0.154 0.000 0.987 264 I CA -0.793 60.562 61.300 0.092 0.000 1.180 264 I CB 1.389 39.419 38.000 0.050 0.000 1.340 264 I HN 0.478 nan 8.210 nan 0.000 0.455 265 Y N 7.952 128.259 120.300 0.012 0.000 2.330 265 Y HA 0.430 4.997 4.550 0.028 0.000 0.324 265 Y C -2.684 173.219 175.900 0.004 0.000 1.093 265 Y CA -1.808 56.298 58.100 0.010 0.000 1.103 265 Y CB 2.351 40.819 38.460 0.013 0.000 1.183 265 Y HN 0.343 nan 8.280 nan 0.000 0.433 266 P HA 0.281 nan 4.420 nan 0.000 0.287 266 P C -1.406 175.806 177.300 -0.148 0.000 1.281 266 P CA -0.290 62.726 63.100 -0.140 0.000 0.781 266 P CB 1.534 33.133 31.700 -0.169 0.000 0.903 267 L N 4.286 125.549 121.223 0.068 0.000 2.333 267 L HA 0.425 4.781 4.340 0.028 0.000 0.280 267 L C 0.071 176.972 176.870 0.052 0.000 1.004 267 L CA -0.694 54.215 54.840 0.115 0.000 0.820 267 L CB 1.084 43.264 42.059 0.202 0.000 1.247 267 L HN 0.201 nan 8.230 nan 0.000 0.416 268 R N 4.210 124.725 120.500 0.025 0.000 2.484 268 R HA 0.322 4.679 4.340 0.028 0.000 0.293 268 R C -1.113 175.207 176.300 0.032 0.000 1.023 268 R CA -0.166 55.952 56.100 0.030 0.000 1.037 268 R CB 0.389 30.708 30.300 0.032 0.000 0.951 268 R HN 0.432 nan 8.270 nan 0.000 0.418 269 V N 2.073 122.032 119.914 0.074 0.000 2.482 269 V HA 0.360 4.497 4.120 0.028 0.000 0.295 269 V C 0.448 176.618 176.094 0.128 0.000 1.026 269 V CA -0.933 61.403 62.300 0.061 0.000 0.856 269 V CB 2.042 33.903 31.823 0.065 0.000 1.001 269 V HN 0.900 nan 8.190 nan 0.000 0.424 270 G N 4.666 113.466 108.800 0.001 0.000 2.377 270 G HA2 0.566 4.542 3.960 0.028 0.000 0.316 270 G HA3 0.566 4.542 3.960 0.028 0.000 0.316 270 G C -0.540 174.368 174.900 0.015 0.000 1.115 270 G CA -0.476 44.640 45.100 0.027 0.000 0.952 270 G HN 0.538 nan 8.290 nan 0.000 0.441 271 I N 3.018 123.724 120.570 0.227 0.000 2.574 271 I HA 0.264 4.450 4.170 0.028 0.000 0.291 271 I C 0.590 176.799 176.117 0.154 0.000 1.131 271 I CA 0.072 61.445 61.300 0.121 0.000 1.352 271 I CB -0.478 37.591 38.000 0.114 0.000 1.431 271 I HN 0.687 nan 8.210 nan 0.000 0.543 272 R N 3.627 124.137 120.500 0.015 0.000 2.692 272 R HA 0.792 5.148 4.340 0.028 0.000 0.269 272 R C -1.079 175.165 176.300 -0.094 0.000 1.030 272 R CA -0.947 55.165 56.100 0.019 0.000 0.882 272 R CB 0.894 31.244 30.300 0.082 0.000 1.250 272 R HN 0.301 nan 8.270 nan 0.000 0.465 273 S N 0.295 115.927 115.700 -0.114 0.000 2.532 273 S HA 0.874 5.361 4.470 0.028 0.000 0.301 273 S C -0.780 173.686 174.600 -0.224 0.000 1.083 273 S CA -0.672 57.414 58.200 -0.191 0.000 1.025 273 S CB 1.897 64.948 63.200 -0.249 0.000 1.056 273 S HN 0.525 nan 8.310 nan 0.000 0.494 274 V N 1.196 120.974 119.914 -0.226 0.000 2.760 274 V HA 0.965 5.102 4.120 0.028 0.000 0.309 274 V C -0.019 175.891 176.094 -0.307 0.000 1.077 274 V CA -0.035 62.110 62.300 -0.258 0.000 0.910 274 V CB 1.256 32.964 31.823 -0.191 0.000 1.008 274 V HN 1.493 nan 8.190 nan 0.000 0.424 275 A N 3.336 125.893 122.820 -0.438 0.000 2.566 275 A HA 0.860 5.197 4.320 0.028 0.000 0.290 275 A C -1.720 175.580 177.584 -0.474 0.000 1.071 275 A CA -0.540 51.278 52.037 -0.366 0.000 0.658 275 A CB 1.647 20.525 19.000 -0.203 0.000 1.285 275 A HN 0.756 nan 8.150 nan 0.000 0.427 276 V N 0.860 120.595 119.914 -0.298 0.000 2.435 276 V HA 0.675 4.812 4.120 0.028 0.000 0.290 276 V C -0.228 175.812 176.094 -0.090 0.000 1.030 276 V CA -0.450 61.726 62.300 -0.207 0.000 0.881 276 V CB 1.404 33.157 31.823 -0.117 0.000 0.983 276 V HN 0.791 nan 8.190 nan 0.000 0.445 277 K N 3.296 123.670 120.400 -0.044 0.000 2.626 277 K HA 0.623 4.960 4.320 0.028 0.000 0.223 277 K C 0.454 177.070 176.600 0.026 0.000 0.992 277 K CA 0.683 56.968 56.287 -0.002 0.000 1.024 277 K CB 0.842 33.348 32.500 0.011 0.000 1.225 277 K HN 0.957 nan 8.250 nan 0.000 0.498 278 G N 2.700 111.518 108.800 0.031 0.000 2.595 278 G HA2 -0.312 3.664 3.960 0.028 0.000 0.297 278 G HA3 -0.312 3.664 3.960 0.028 0.000 0.297 278 G C 0.159 175.105 174.900 0.078 0.000 1.181 278 G CA 0.248 45.378 45.100 0.050 0.000 0.963 278 G HN 0.544 nan 8.290 nan 0.000 0.541 279 E N 1.710 121.964 120.200 0.091 0.000 2.736 279 E HA 0.296 4.662 4.350 0.028 0.000 0.208 279 E C 0.069 176.741 176.600 0.120 0.000 0.996 279 E CA 0.005 56.472 56.400 0.111 0.000 1.104 279 E CB 0.470 30.245 29.700 0.124 0.000 1.111 279 E HN 0.529 nan 8.360 nan 0.000 0.455 280 Q N 0.142 120.011 119.800 0.114 0.000 2.397 280 Q HA 0.391 4.747 4.340 0.028 0.000 0.275 280 Q C -1.220 174.881 176.000 0.168 0.000 1.090 280 Q CA -0.784 55.108 55.803 0.148 0.000 0.809 280 Q CB 2.325 31.133 28.738 0.117 0.000 1.362 280 Q HN 0.087 nan 8.270 nan 0.000 0.431 281 F N 2.149 122.162 119.950 0.107 0.000 2.385 281 F HA 0.368 4.912 4.527 0.029 0.000 0.360 281 F C -1.149 174.690 175.800 0.065 0.000 1.122 281 F CA -0.732 57.331 58.000 0.105 0.000 1.090 281 F CB 0.613 39.749 39.000 0.227 0.000 1.150 281 F HN 0.350 nan 8.300 nan 0.000 0.472 282 L N 7.749 128.917 121.223 -0.093 0.000 2.301 282 L HA 0.406 4.763 4.340 0.028 0.000 0.278 282 L C -0.498 176.307 176.870 -0.109 0.000 1.022 282 L CA -0.130 54.689 54.840 -0.034 0.000 0.854 282 L CB 0.890 42.919 42.059 -0.050 0.000 1.226 282 L HN 0.434 nan 8.230 nan 0.000 0.429 283 I N 3.799 124.364 120.570 -0.008 0.000 2.301 283 I HA 0.201 4.388 4.170 0.028 0.000 0.292 283 I C 0.417 176.516 176.117 -0.029 0.000 1.046 283 I CA -0.329 60.939 61.300 -0.053 0.000 1.282 283 I CB 0.065 38.005 38.000 -0.100 0.000 1.409 283 I HN 0.685 nan 8.210 nan 0.000 0.484 284 N N 5.991 124.618 118.700 -0.123 0.000 2.740 284 N HA -0.210 4.546 4.740 0.028 0.000 0.248 284 N C -0.456 175.057 175.510 0.005 0.000 1.062 284 N CA 0.184 53.186 53.050 -0.079 0.000 0.704 284 N CB -0.964 37.577 38.487 0.090 0.000 0.968 284 N HN 0.767 nan 8.380 nan 0.000 0.547 285 H N -2.723 116.370 119.070 0.039 0.000 2.756 285 H HA -0.147 4.426 4.556 0.028 0.000 0.315 285 H C -0.451 174.913 175.328 0.059 0.000 1.210 285 H CA 1.133 57.203 56.048 0.037 0.000 1.150 285 H CB -1.522 28.261 29.762 0.035 0.000 1.463 285 H HN 0.518 nan 8.280 nan 0.000 0.427 286 K N 0.724 121.205 120.400 0.135 0.000 2.443 286 K HA 0.340 4.677 4.320 0.028 0.000 0.252 286 K C -2.774 173.928 176.600 0.169 0.000 0.933 286 K CA -1.927 54.451 56.287 0.152 0.000 0.792 286 K CB 2.278 34.879 32.500 0.168 0.000 1.185 286 K HN -0.155 nan 8.250 nan 0.000 0.425 287 P HA -0.039 nan 4.420 nan 0.000 0.260 287 P C -1.065 176.345 177.300 0.185 0.000 1.207 287 P CA 0.181 63.375 63.100 0.158 0.000 0.780 287 P CB 0.092 31.860 31.700 0.113 0.000 0.789 288 F N 4.489 124.458 119.950 0.032 0.000 2.461 288 F HA 0.601 5.144 4.527 0.027 0.000 0.332 288 F C -0.711 175.056 175.800 -0.056 0.000 1.073 288 F CA -0.721 57.227 58.000 -0.088 0.000 1.017 288 F CB 1.050 39.903 39.000 -0.245 0.000 1.301 288 F HN 0.185 nan 8.300 nan 0.000 0.492 289 Y N 2.875 122.513 120.300 -1.103 0.000 2.307 289 Y HA 0.382 4.948 4.550 0.027 0.000 0.323 289 Y C -1.512 173.847 175.900 -0.902 0.000 1.100 289 Y CA -1.201 56.486 58.100 -0.688 0.000 1.140 289 Y CB 0.631 38.821 38.460 -0.451 0.000 1.159 289 Y HN 0.405 nan 8.280 nan 0.000 0.436 290 F N 3.681 123.289 119.950 -0.570 0.000 2.529 290 F HA 0.396 4.939 4.527 0.027 0.000 0.365 290 F C 0.893 176.477 175.800 -0.360 0.000 1.102 290 F CA 0.472 58.279 58.000 -0.322 0.000 1.271 290 F CB 0.932 39.748 39.000 -0.308 0.000 1.120 290 F HN 0.449 nan 8.300 nan 0.000 0.579 291 T N 0.044 114.444 114.554 -0.257 0.000 2.903 291 T HA 0.907 5.273 4.350 0.028 0.000 0.299 291 T C -0.179 174.070 174.700 -0.752 0.000 1.093 291 T CA -0.269 61.452 62.100 -0.631 0.000 1.002 291 T CB 1.877 70.045 68.868 -1.166 0.000 1.127 291 T HN 1.176 nan 8.240 nan 0.000 0.488 292 G N 0.777 108.879 108.800 -1.164 0.000 2.247 292 G HA2 0.335 4.312 3.960 0.028 0.000 0.229 292 G HA3 0.335 4.312 3.960 0.028 0.000 0.229 292 G C -1.914 172.628 174.900 -0.597 0.000 1.345 292 G CA -0.764 43.803 45.100 -0.888 0.000 1.100 292 G HN 0.819 nan 8.290 nan 0.000 0.473 293 F N 0.360 120.393 119.950 0.137 0.000 2.620 293 F HA 0.700 5.244 4.527 0.028 0.000 0.320 293 F C 0.832 176.728 175.800 0.160 0.000 1.069 293 F CA -0.135 57.986 58.000 0.201 0.000 0.953 293 F CB 2.123 41.262 39.000 0.233 0.000 1.322 293 F HN 0.800 nan 8.300 nan 0.000 0.479 294 G N 1.149 110.199 108.800 0.415 0.000 2.338 294 G HA2 0.665 4.642 3.960 0.028 0.000 0.298 294 G HA3 0.665 4.642 3.960 0.028 0.000 0.298 294 G C -0.698 174.212 174.900 0.018 0.000 1.140 294 G CA -0.531 44.766 45.100 0.329 0.000 0.860 294 G HN 0.533 nan 8.290 nan 0.000 0.470 295 R N 0.187 120.614 120.500 -0.121 0.000 2.923 295 R HA 0.569 4.925 4.340 0.028 0.000 0.252 295 R C -1.075 174.956 176.300 -0.448 0.000 1.130 295 R CA -0.959 54.997 56.100 -0.239 0.000 1.043 295 R CB 1.947 32.153 30.300 -0.158 0.000 1.205 295 R HN 0.528 nan 8.270 nan 0.000 0.495 296 H N 0.610 119.498 119.070 -0.303 0.000 2.894 296 H HA 0.148 4.720 4.556 0.027 0.000 0.367 296 H C -0.970 174.149 175.328 -0.348 0.000 1.144 296 H CA -0.594 55.245 56.048 -0.348 0.000 1.180 296 H CB 2.106 31.560 29.762 -0.515 0.000 1.758 296 H HN 0.491 nan 8.280 nan 0.000 0.541 297 E N 2.565 122.662 120.200 -0.171 0.000 1.944 297 E HA 0.092 4.459 4.350 0.028 0.000 0.272 297 E C -0.487 176.047 176.600 -0.109 0.000 1.195 297 E CA 0.212 56.478 56.400 -0.223 0.000 0.926 297 E CB 0.417 29.994 29.700 -0.205 0.000 1.051 297 E HN 0.357 nan 8.360 nan 0.000 0.404 298 D N 2.079 122.406 120.400 -0.121 0.000 2.836 298 D HA 0.482 5.139 4.640 0.028 0.000 0.215 298 D C -1.765 174.474 176.300 -0.101 0.000 1.255 298 D CA -0.432 53.522 54.000 -0.077 0.000 0.822 298 D CB 1.740 42.594 40.800 0.090 0.000 1.656 298 D HN 0.359 nan 8.370 nan 0.000 0.511 299 A N 2.767 125.497 122.820 -0.150 0.000 2.601 299 A HA 0.452 4.789 4.320 0.028 0.000 0.291 299 A C -1.150 176.343 177.584 -0.152 0.000 1.075 299 A CA -0.776 51.179 52.037 -0.137 0.000 0.671 299 A CB 1.209 20.104 19.000 -0.174 0.000 1.277 299 A HN 0.467 nan 8.150 nan 0.000 0.417 300 D N 0.821 121.149 120.400 -0.121 0.000 2.472 300 D HA 0.333 4.989 4.640 0.028 0.000 0.237 300 D C 1.376 177.585 176.300 -0.152 0.000 1.141 300 D CA 1.302 55.233 54.000 -0.115 0.000 0.875 300 D CB 0.522 41.266 40.800 -0.093 0.000 1.192 300 D HN 0.709 nan 8.370 nan 0.000 0.450 301 L N 0.619 121.753 121.223 -0.149 0.000 2.848 301 L HA -0.409 3.947 4.340 0.028 0.000 0.400 301 L C 2.056 178.792 176.870 -0.223 0.000 2.308 301 L CA 2.003 56.745 54.840 -0.163 0.000 2.916 301 L CB -1.270 40.707 42.059 -0.136 0.000 1.824 301 L HN 0.526 nan 8.230 nan 0.000 0.807 302 R N 1.940 122.294 120.500 -0.244 0.000 2.276 302 R HA 0.300 4.656 4.340 0.028 0.000 0.196 302 R C 1.317 177.372 176.300 -0.409 0.000 0.961 302 R CA 1.049 56.986 56.100 -0.271 0.000 1.024 302 R CB 0.279 30.447 30.300 -0.220 0.000 0.940 302 R HN 0.659 nan 8.270 nan 0.000 0.480 303 G N 2.355 110.811 108.800 -0.573 0.000 2.543 303 G HA2 -0.401 3.576 3.960 0.028 0.000 0.286 303 G HA3 -0.401 3.576 3.960 0.028 0.000 0.286 303 G C 0.199 174.667 174.900 -0.720 0.000 1.153 303 G CA 0.513 44.975 45.100 -1.063 0.000 0.968 303 G HN 0.366 nan 8.290 nan 0.000 0.544 304 K N 1.671 121.594 120.400 -0.794 0.000 2.387 304 K HA 0.393 4.730 4.320 0.028 0.000 0.198 304 K C 1.275 177.520 176.600 -0.592 0.000 1.022 304 K CA 0.365 56.264 56.287 -0.647 0.000 1.128 304 K CB 0.674 32.763 32.500 -0.685 0.000 0.853 304 K HN 0.709 nan 8.250 nan 0.000 0.523 305 G N 1.508 110.021 108.800 -0.479 0.000 2.398 305 G HA2 0.036 4.012 3.960 0.028 0.000 0.246 305 G HA3 0.036 4.012 3.960 0.028 0.000 0.246 305 G C -0.609 174.237 174.900 -0.090 0.000 1.289 305 G CA -0.384 44.607 45.100 -0.181 0.000 0.869 305 G HN 0.159 nan 8.290 nan 0.000 0.543 306 F N 1.237 121.125 119.950 -0.103 0.000 2.450 306 F HA 0.426 4.971 4.527 0.030 0.000 0.339 306 F C 0.131 175.884 175.800 -0.078 0.000 1.146 306 F CA -0.176 57.773 58.000 -0.085 0.000 1.267 306 F CB 1.453 40.434 39.000 -0.032 0.000 1.178 306 F HN 0.435 nan 8.300 nan 0.000 0.585 307 D N 3.633 123.319 120.400 -1.190 0.000 2.891 307 D HA 0.220 4.876 4.640 0.028 0.000 0.224 307 D C 0.074 175.782 176.300 -0.987 0.000 1.321 307 D CA -0.507 53.015 54.000 -0.796 0.000 0.929 307 D CB 0.893 41.434 40.800 -0.431 0.000 1.551 307 D HN 0.387 nan 8.370 nan 0.000 0.574 308 N N 1.853 120.230 118.700 -0.537 0.000 2.104 308 N HA -0.119 4.637 4.740 0.028 0.000 0.190 308 N C 1.743 177.141 175.510 -0.187 0.000 1.024 308 N CA 1.098 54.009 53.050 -0.233 0.000 0.853 308 N CB -0.016 38.488 38.487 0.029 0.000 1.008 308 N HN 0.322 nan 8.380 nan 0.000 0.424 309 V N 1.489 121.301 119.914 -0.169 0.000 2.255 309 V HA -0.153 3.984 4.120 0.028 0.000 0.247 309 V C 1.645 177.642 176.094 -0.162 0.000 1.051 309 V CA 0.704 62.929 62.300 -0.124 0.000 1.018 309 V CB -0.618 31.133 31.823 -0.119 0.000 0.641 309 V HN 0.197 nan 8.190 nan 0.000 0.445 313 H N 0.933 119.893 119.070 -0.182 0.000 2.307 313 H HA -0.118 4.454 4.556 0.026 0.000 0.303 313 H C 1.793 176.990 175.328 -0.218 0.000 1.073 313 H CA 2.191 58.141 56.048 -0.165 0.000 1.338 313 H CB 0.257 29.919 29.762 -0.166 0.000 1.389 313 H HN 0.452 nan 8.280 nan 0.000 0.503 314 D N 0.057 120.297 120.400 -0.267 0.000 2.133 314 D HA -0.171 4.486 4.640 0.028 0.000 0.195 314 D C 2.197 178.160 176.300 -0.561 0.000 0.997 314 D CA 1.133 54.843 54.000 -0.484 0.000 0.840 314 D CB -0.584 39.766 40.800 -0.750 0.000 0.947 314 D HN 0.551 nan 8.370 nan 0.000 0.452 315 H N 0.055 118.822 119.070 -0.506 0.000 2.389 315 H HA 0.056 4.630 4.556 0.029 0.000 0.299 315 H C 2.064 177.305 175.328 -0.145 0.000 1.081 315 H CA 1.183 56.994 56.048 -0.395 0.000 1.345 315 H CB -0.050 29.295 29.762 -0.695 0.000 1.393 315 H HN 0.108 nan 8.280 nan 0.000 0.520 316 A N 1.544 124.332 122.820 -0.052 0.000 1.940 316 A HA -0.068 4.268 4.320 0.028 0.000 0.219 316 A C 1.754 179.343 177.584 0.008 0.000 1.176 316 A CA 0.531 52.559 52.037 -0.015 0.000 0.631 316 A CB -0.691 18.236 19.000 -0.120 0.000 0.814 316 A HN 0.145 nan 8.150 nan 0.000 0.446 320 W N 2.445 123.839 121.300 0.157 0.000 2.338 320 W HA 0.045 4.720 4.660 0.026 0.000 0.304 320 W C 1.914 178.563 176.519 0.217 0.000 1.212 320 W CA 2.160 59.601 57.345 0.161 0.000 1.264 320 W CB -0.482 29.051 29.460 0.123 0.000 1.142 320 W HN 0.151 nan 8.180 nan 0.000 0.512 321 I N 0.165 120.830 120.570 0.158 0.000 2.928 321 I HA 0.073 4.259 4.170 0.028 0.000 0.266 321 I C 1.705 177.905 176.117 0.139 0.000 1.234 321 I CA 1.610 62.852 61.300 -0.098 0.000 1.483 321 I CB -0.511 37.771 38.000 0.470 0.000 1.097 321 I HN 0.340 nan 8.210 nan 0.000 0.455 322 G N 0.681 109.599 108.800 0.197 0.000 2.175 322 G HA2 -0.164 3.813 3.960 0.028 0.000 0.182 322 G HA3 -0.164 3.813 3.960 0.028 0.000 0.182 322 G C 0.364 175.249 174.900 -0.026 0.000 1.003 322 G CA -0.074 45.126 45.100 0.167 0.000 0.666 322 G HN 0.648 nan 8.290 nan 0.000 0.506 323 A N 0.713 123.504 122.820 -0.047 0.000 2.454 323 A HA 0.557 4.893 4.320 0.028 0.000 0.260 323 A C 1.184 178.704 177.584 -0.108 0.000 1.106 323 A CA 0.807 52.635 52.037 -0.350 0.000 0.780 323 A CB 0.158 19.100 19.000 -0.096 0.000 1.044 323 A HN 1.042 nan 8.150 nan 0.000 0.498 324 N N 0.644 119.224 118.700 -0.199 0.000 2.236 324 N HA 0.082 4.838 4.740 0.028 0.000 0.196 324 N C -0.099 175.461 175.510 0.084 0.000 1.114 324 N CA 0.571 53.617 53.050 -0.007 0.000 0.859 324 N CB 0.225 38.603 38.487 -0.181 0.000 0.982 324 N HN 0.692 nan 8.380 nan 0.000 0.493 325 S N -1.351 114.378 115.700 0.048 0.000 2.611 325 S HA 0.673 5.160 4.470 0.028 0.000 0.268 325 S C -1.394 173.298 174.600 0.154 0.000 1.156 325 S CA -0.892 57.362 58.200 0.090 0.000 0.817 325 S CB 1.254 64.560 63.200 0.176 0.000 1.122 325 S HN 0.420 nan 8.310 nan 0.000 0.466 326 Y N -1.207 119.097 120.300 0.008 0.000 2.818 326 Y HA 0.777 5.345 4.550 0.030 0.000 0.341 326 Y C -1.194 174.637 175.900 -0.114 0.000 1.283 326 Y CA -1.247 56.834 58.100 -0.030 0.000 1.075 326 Y CB 0.736 39.192 38.460 -0.006 0.000 1.370 326 Y HN 1.025 nan 8.280 nan 0.000 0.448 327 R N 0.873 121.422 120.500 0.082 0.000 2.599 327 R HA 0.552 4.908 4.340 0.028 0.000 0.295 327 R C -1.067 175.075 176.300 -0.263 0.000 0.963 327 R CA -0.469 55.539 56.100 -0.153 0.000 0.883 327 R CB 1.759 31.974 30.300 -0.142 0.000 1.171 327 R HN 0.952 nan 8.270 nan 0.000 0.450 328 T N 1.096 115.317 114.554 -0.556 0.000 2.848 328 T HA 0.162 4.529 4.350 0.028 0.000 0.283 328 T C -0.032 174.194 174.700 -0.791 0.000 0.919 328 T CA -0.443 60.885 62.100 -1.286 0.000 1.071 328 T CB 0.567 68.770 68.868 -1.107 0.000 0.912 328 T HN 0.367 nan 8.240 nan 0.000 0.570 329 S N 3.982 119.240 115.700 -0.737 0.000 2.465 329 S HA 0.156 4.643 4.470 0.028 0.000 0.280 329 S C 0.724 174.721 174.600 -1.004 0.000 1.232 329 S CA -0.403 57.297 58.200 -0.832 0.000 1.066 329 S CB -0.553 62.074 63.200 -0.955 0.000 0.929 329 S HN 1.027 nan 8.310 nan 0.000 0.494 330 H N 0.544 119.349 119.070 -0.440 0.000 3.179 330 H HA -0.255 4.318 4.556 0.027 0.000 0.250 330 H C -0.691 174.527 175.328 -0.183 0.000 1.142 330 H CA 1.408 57.311 56.048 -0.241 0.000 1.165 330 H CB -2.075 27.664 29.762 -0.039 0.000 1.253 330 H HN 0.791 nan 8.280 nan 0.000 0.325 331 Y N -6.240 113.991 120.300 -0.115 0.000 2.661 331 Y HA 0.431 4.997 4.550 0.026 0.000 0.339 331 Y C -3.299 172.555 175.900 -0.077 0.000 1.186 331 Y CA -3.066 54.854 58.100 -0.301 0.000 1.137 331 Y CB 0.227 37.973 38.460 -1.191 0.000 1.354 331 Y HN -0.317 nan 8.280 nan 0.000 0.469 332 P HA 0.083 nan 4.420 nan 0.000 0.262 332 P C -0.681 176.928 177.300 0.514 0.000 1.199 332 P CA 0.709 63.983 63.100 0.290 0.000 0.763 332 P CB 0.080 31.977 31.700 0.329 0.000 0.790 333 Y N 1.316 121.715 120.300 0.165 0.000 2.281 333 Y HA 0.323 4.890 4.550 0.028 0.000 0.337 333 Y C 1.490 177.487 175.900 0.163 0.000 1.304 333 Y CA -1.739 56.475 58.100 0.189 0.000 1.465 333 Y CB 0.595 39.129 38.460 0.123 0.000 1.350 333 Y HN 0.330 nan 8.280 nan 0.000 0.575 334 A N 1.247 124.226 122.820 0.266 0.000 2.531 334 A HA -0.024 4.313 4.320 0.028 0.000 0.236 334 A C 0.800 178.403 177.584 0.031 0.000 1.062 334 A CA -0.394 51.683 52.037 0.067 0.000 0.760 334 A CB 0.103 19.012 19.000 -0.151 0.000 0.995 334 A HN 0.897 nan 8.150 nan 0.000 0.501 335 E N 1.214 121.400 120.200 -0.025 0.000 2.204 335 E HA -0.094 4.273 4.350 0.028 0.000 0.195 335 E C 0.527 177.102 176.600 -0.042 0.000 0.990 335 E CA 1.251 57.637 56.400 -0.023 0.000 0.821 335 E CB -0.179 29.546 29.700 0.041 0.000 0.750 335 E HN 0.815 nan 8.360 nan 0.000 0.477 339 D N 0.013 120.466 120.400 0.088 0.000 2.178 339 D HA -0.204 4.453 4.640 0.028 0.000 0.201 339 D C 1.595 178.041 176.300 0.244 0.000 0.980 339 D CA 1.406 55.526 54.000 0.200 0.000 0.842 339 D CB 0.014 40.917 40.800 0.172 0.000 0.948 339 D HN 0.441 nan 8.370 nan 0.000 0.472 340 W N 1.793 123.147 121.300 0.091 0.000 2.453 340 W HA 0.032 4.710 4.660 0.030 0.000 0.289 340 W C 2.037 178.665 176.519 0.181 0.000 1.215 340 W CA 1.396 58.799 57.345 0.097 0.000 1.297 340 W CB -0.254 29.138 29.460 -0.114 0.000 1.113 340 W HN -0.077 nan 8.180 nan 0.000 0.551 341 A N 0.796 123.925 122.820 0.515 0.000 1.898 341 A HA -0.206 4.130 4.320 0.028 0.000 0.216 341 A C 1.730 179.580 177.584 0.443 0.000 1.181 341 A CA 1.989 54.311 52.037 0.475 0.000 0.620 341 A CB -0.978 18.230 19.000 0.347 0.000 0.819 341 A HN 0.180 nan 8.150 nan 0.000 0.442 342 D N -0.451 120.182 120.400 0.388 0.000 2.106 342 D HA -0.196 4.460 4.640 0.028 0.000 0.191 342 D C 1.849 178.394 176.300 0.407 0.000 0.997 342 D CA 1.723 56.011 54.000 0.480 0.000 0.834 342 D CB -0.441 40.549 40.800 0.317 0.000 0.956 342 D HN 0.724 nan 8.370 nan 0.000 0.448 343 E N -0.641 119.651 120.200 0.153 0.000 2.204 343 E HA -0.165 4.202 4.350 0.028 0.000 0.194 343 E C 1.028 177.441 176.600 -0.311 0.000 0.989 343 E CA 0.857 57.183 56.400 -0.124 0.000 0.824 343 E CB 0.086 29.615 29.700 -0.284 0.000 0.756 343 E HN 0.392 nan 8.360 nan 0.000 0.477 344 H N -1.940 117.082 119.070 -0.081 0.000 2.652 344 H HA 0.283 4.856 4.556 0.029 0.000 0.274 344 H C 0.738 176.030 175.328 -0.058 0.000 1.021 344 H CA 0.480 56.475 56.048 -0.088 0.000 1.187 344 H CB 1.448 31.190 29.762 -0.034 0.000 1.505 344 H HN 0.280 nan 8.280 nan 0.000 0.530 345 G N 1.212 109.996 108.800 -0.026 0.000 2.160 345 G HA2 -0.297 3.680 3.960 0.028 0.000 0.251 345 G HA3 -0.297 3.680 3.960 0.028 0.000 0.251 345 G C 0.123 175.049 174.900 0.043 0.000 1.008 345 G CA 0.071 44.966 45.100 -0.342 0.000 0.724 345 G HN 0.374 nan 8.290 nan 0.000 0.514 346 I N 0.821 121.566 120.570 0.292 0.000 2.452 346 I HA 0.180 4.367 4.170 0.028 0.000 0.287 346 I C 1.076 177.357 176.117 0.273 0.000 1.079 346 I CA -0.415 61.076 61.300 0.317 0.000 1.387 346 I CB 1.084 39.343 38.000 0.431 0.000 1.404 346 I HN -0.110 nan 8.210 nan 0.000 0.522 347 V N 8.158 128.169 119.914 0.163 0.000 2.614 347 V HA 0.164 4.300 4.120 0.028 0.000 0.291 347 V C 0.133 176.140 176.094 -0.146 0.000 1.049 347 V CA -0.137 62.185 62.300 0.037 0.000 1.038 347 V CB 1.569 33.320 31.823 -0.119 0.000 0.980 347 V HN 0.406 nan 8.190 nan 0.000 0.481 348 V N 6.670 126.445 119.914 -0.231 0.000 2.524 348 V HA 0.414 4.550 4.120 0.028 0.000 0.297 348 V C -0.186 175.692 176.094 -0.360 0.000 1.035 348 V CA -0.472 61.558 62.300 -0.451 0.000 0.867 348 V CB 1.787 33.308 31.823 -0.504 0.000 1.004 348 V HN 0.659 nan 8.190 nan 0.000 0.426 349 I N 3.878 124.230 120.570 -0.363 0.000 2.347 349 I HA 0.180 4.367 4.170 0.028 0.000 0.294 349 I C 0.189 176.137 176.117 -0.282 0.000 1.090 349 I CA 0.166 61.273 61.300 -0.322 0.000 1.314 349 I CB 0.374 38.168 38.000 -0.343 0.000 1.423 349 I HN 0.548 nan 8.210 nan 0.000 0.503 350 D N 6.636 126.906 120.400 -0.216 0.000 2.308 350 D HA 0.164 4.820 4.640 0.028 0.000 0.251 350 D C -0.273 176.053 176.300 0.043 0.000 1.127 350 D CA 0.058 54.014 54.000 -0.074 0.000 0.876 350 D CB 1.011 41.869 40.800 0.097 0.000 1.176 350 D HN 0.571 nan 8.370 nan 0.000 0.446 351 E N 1.292 121.477 120.200 -0.024 0.000 2.293 351 E HA 0.406 4.772 4.350 0.028 0.000 0.270 351 E C -0.542 176.085 176.600 0.044 0.000 0.879 351 E CA -0.808 55.594 56.400 0.004 0.000 0.756 351 E CB 1.107 30.759 29.700 -0.079 0.000 1.208 351 E HN 0.407 nan 8.360 nan 0.000 0.428 352 T N 0.474 115.084 114.554 0.095 0.000 2.754 352 T HA 0.397 4.763 4.350 0.028 0.000 0.286 352 T C 0.948 175.723 174.700 0.126 0.000 0.997 352 T CA -0.035 62.136 62.100 0.119 0.000 0.982 352 T CB 1.320 70.266 68.868 0.129 0.000 1.027 352 T HN 0.506 nan 8.240 nan 0.000 0.529 353 A N 0.166 123.088 122.820 0.170 0.000 2.327 353 A HA 0.580 4.917 4.320 0.028 0.000 0.228 353 A C 1.375 179.089 177.584 0.216 0.000 1.275 353 A CA 0.002 52.172 52.037 0.221 0.000 0.875 353 A CB -1.167 18.026 19.000 0.322 0.000 0.925 353 A HN 1.248 nan 8.150 nan 0.000 0.493 354 A N 0.399 123.308 122.820 0.148 0.000 2.457 354 A HA 0.512 4.849 4.320 0.028 0.000 0.298 354 A C -0.217 177.522 177.584 0.259 0.000 1.288 354 A CA 0.072 52.197 52.037 0.146 0.000 0.956 354 A CB -0.366 18.550 19.000 -0.139 0.000 1.135 354 A HN 1.042 nan 8.150 nan 0.000 0.535 355 V N 2.378 122.501 119.914 0.349 0.000 3.048 355 V HA 0.703 4.839 4.120 0.028 0.000 0.303 355 V C 0.618 176.909 176.094 0.329 0.000 1.214 355 V CA 0.718 63.179 62.300 0.268 0.000 0.984 355 V CB 1.834 33.743 31.823 0.144 0.000 1.054 355 V HN 2.148 nan 8.190 nan 0.000 0.430 356 G N 4.312 113.309 108.800 0.328 0.000 2.179 356 G HA2 -0.264 3.713 3.960 0.028 0.000 0.220 356 G HA3 -0.264 3.713 3.960 0.028 0.000 0.220 356 G C 0.468 175.486 174.900 0.195 0.000 0.990 356 G CA 0.455 45.745 45.100 0.318 0.000 0.646 356 G HN 0.948 nan 8.290 nan 0.000 0.517 357 F N 1.460 121.524 119.950 0.190 0.000 2.481 357 F HA 0.034 4.577 4.527 0.027 0.000 0.297 357 F C 1.694 177.530 175.800 0.059 0.000 1.095 357 F CA 1.266 59.361 58.000 0.158 0.000 1.465 357 F CB 0.068 39.224 39.000 0.260 0.000 1.098 357 F HN 0.252 nan 8.300 nan 0.000 0.585 358 N N 0.147 118.947 118.700 0.166 0.000 2.466 358 N HA 0.221 4.978 4.740 0.028 0.000 0.294 358 N C -0.157 175.317 175.510 -0.060 0.000 1.129 358 N CA -0.224 52.889 53.050 0.105 0.000 0.931 358 N CB 1.798 40.407 38.487 0.203 0.000 1.193 358 N HN -0.020 nan 8.380 nan 0.000 0.500 359 L N 1.282 122.466 121.223 -0.064 0.000 3.217 359 L HA 0.349 4.705 4.340 0.028 0.000 0.288 359 L C 0.583 177.399 176.870 -0.090 0.000 1.202 359 L CA 0.473 55.206 54.840 -0.178 0.000 1.027 359 L CB -0.029 41.901 42.059 -0.214 0.000 1.427 359 L HN 0.496 nan 8.230 nan 0.000 0.600 360 S N -0.458 115.215 115.700 -0.046 0.000 2.602 360 S HA 0.179 4.665 4.470 0.028 0.000 0.240 360 S C 1.180 175.709 174.600 -0.118 0.000 0.992 360 S CA -0.228 57.884 58.200 -0.147 0.000 0.971 360 S CB 0.279 63.275 63.200 -0.339 0.000 0.855 360 S HN 0.130 nan 8.310 nan 0.000 0.481 361 L N 2.215 123.458 121.223 0.033 0.000 2.622 361 L HA 0.295 4.652 4.340 0.028 0.000 0.233 361 L C 0.954 177.824 176.870 0.001 0.000 1.156 361 L CA 0.423 55.320 54.840 0.096 0.000 0.866 361 L CB -0.688 41.468 42.059 0.162 0.000 0.980 361 L HN 0.364 nan 8.230 nan 0.000 0.448 362 G N -1.806 106.964 108.800 -0.051 0.000 2.866 362 G HA2 0.328 4.305 3.960 0.028 0.000 0.289 362 G HA3 0.328 4.305 3.960 0.028 0.000 0.289 362 G C -1.036 173.791 174.900 -0.121 0.000 1.396 362 G CA -0.692 44.349 45.100 -0.098 0.000 0.848 362 G HN -0.084 nan 8.290 nan 0.000 0.515 363 I N 1.913 122.391 120.570 -0.153 0.000 2.460 363 I HA 0.390 4.577 4.170 0.028 0.000 0.297 363 I C 0.853 176.767 176.117 -0.338 0.000 1.139 363 I CA -0.024 61.148 61.300 -0.214 0.000 1.340 363 I CB -0.354 37.501 38.000 -0.243 0.000 1.444 363 I HN 0.384 nan 8.210 nan 0.000 0.557 364 G N 5.826 114.508 108.800 -0.196 0.000 2.332 364 G HA2 0.333 4.309 3.960 0.028 0.000 0.310 364 G HA3 0.333 4.309 3.960 0.028 0.000 0.310 364 G C 0.032 174.894 174.900 -0.064 0.000 1.123 364 G CA -0.410 44.595 45.100 -0.157 0.000 0.873 364 G HN 0.725 nan 8.290 nan 0.000 0.460 365 F N -0.001 119.942 119.950 -0.010 0.000 2.678 365 F HA 0.219 4.762 4.527 0.027 0.000 0.291 365 F C 1.314 177.108 175.800 -0.010 0.000 1.123 365 F CA -0.324 57.670 58.000 -0.009 0.000 1.395 365 F CB 0.881 39.876 39.000 -0.008 0.000 1.121 365 F HN 0.321 nan 8.300 nan 0.000 0.592 366 E N 1.475 121.753 120.200 0.129 0.000 1.932 366 E HA 0.388 4.755 4.350 0.028 0.000 0.275 366 E C 0.427 177.051 176.600 0.040 0.000 1.159 366 E CA 0.196 56.639 56.400 0.071 0.000 0.905 366 E CB 0.369 30.078 29.700 0.015 0.000 1.059 366 E HN 0.296 nan 8.360 nan 0.000 0.400 367 A N 3.828 126.674 122.820 0.043 0.000 2.704 367 A HA -0.173 4.163 4.320 0.028 0.000 0.299 367 A C 1.364 178.963 177.584 0.025 0.000 1.507 367 A CA 1.092 53.146 52.037 0.030 0.000 0.776 367 A CB -2.291 16.721 19.000 0.021 0.000 1.027 367 A HN 1.385 nan 8.150 nan 0.000 0.475 368 G N -0.160 108.656 108.800 0.027 0.000 2.660 368 G HA2 -0.424 3.553 3.960 0.028 0.000 0.321 368 G HA3 -0.424 3.553 3.960 0.028 0.000 0.321 368 G C 0.177 175.095 174.900 0.030 0.000 1.246 368 G CA 0.569 45.683 45.100 0.024 0.000 1.000 368 G HN 1.522 nan 8.290 nan 0.000 0.550 369 N N 2.042 120.761 118.700 0.031 0.000 2.417 369 N HA 0.308 5.065 4.740 0.028 0.000 0.272 369 N C -0.181 175.374 175.510 0.075 0.000 1.304 369 N CA 0.732 53.808 53.050 0.043 0.000 0.906 369 N CB 0.055 38.565 38.487 0.039 0.000 1.135 369 N HN 0.467 nan 8.380 nan 0.000 0.483 370 K N 3.496 123.945 120.400 0.081 0.000 2.561 370 K HA 0.307 4.643 4.320 0.028 0.000 0.254 370 K C -2.711 173.931 176.600 0.070 0.000 0.942 370 K CA -1.644 54.729 56.287 0.143 0.000 0.818 370 K CB 1.778 34.340 32.500 0.103 0.000 1.306 370 K HN 0.198 nan 8.250 nan 0.000 0.435 371 P HA -0.048 nan 4.420 nan 0.000 0.269 371 P C -0.094 177.147 177.300 -0.098 0.000 1.205 371 P CA 0.076 63.129 63.100 -0.078 0.000 0.780 371 P CB 0.641 32.172 31.700 -0.282 0.000 0.858 372 K N 0.420 120.758 120.400 -0.103 0.000 2.202 372 K HA 0.023 4.359 4.320 0.028 0.000 0.201 372 K C 0.175 176.716 176.600 -0.099 0.000 1.051 372 K CA 0.831 57.070 56.287 -0.080 0.000 0.977 372 K CB 0.386 32.853 32.500 -0.055 0.000 0.792 372 K HN 0.409 nan 8.250 nan 0.000 0.469 373 E N 1.747 121.865 120.200 -0.138 0.000 2.149 373 E HA 0.005 4.372 4.350 0.028 0.000 0.255 373 E C 0.339 176.788 176.600 -0.252 0.000 0.888 373 E CA -0.192 56.129 56.400 -0.131 0.000 0.742 373 E CB 1.748 31.400 29.700 -0.080 0.000 1.164 373 E HN 0.058 nan 8.360 nan 0.000 0.422 374 L N 3.430 124.476 121.223 -0.295 0.000 2.010 374 L HA -0.221 4.135 4.340 0.028 0.000 0.219 374 L C 0.220 176.668 176.870 -0.704 0.000 1.077 374 L CA 2.074 56.578 54.840 -0.560 0.000 0.773 374 L CB -0.408 41.306 42.059 -0.575 0.000 0.892 374 L HN 0.419 nan 8.230 nan 0.000 0.436 375 Y N 0.033 120.224 120.300 -0.182 0.000 2.594 375 Y HA 0.545 5.111 4.550 0.028 0.000 0.342 375 Y C 0.430 176.249 175.900 -0.136 0.000 1.010 375 Y CA 0.181 58.184 58.100 -0.160 0.000 1.270 375 Y CB 0.587 38.995 38.460 -0.088 0.000 1.125 375 Y HN 0.141 nan 8.280 nan 0.000 0.513 376 S N 1.172 116.820 115.700 -0.088 0.000 2.597 376 S HA 0.200 4.687 4.470 0.028 0.000 0.274 376 S C 0.280 174.799 174.600 -0.136 0.000 1.132 376 S CA -0.719 57.423 58.200 -0.097 0.000 0.835 376 S CB 1.218 64.335 63.200 -0.139 0.000 1.092 376 S HN 0.504 nan 8.310 nan 0.000 0.457 377 E N 1.521 121.669 120.200 -0.086 0.000 2.265 377 E HA -0.102 4.264 4.350 0.028 0.000 0.196 377 E C 1.708 178.234 176.600 -0.124 0.000 0.996 377 E CA 2.077 58.432 56.400 -0.074 0.000 0.832 377 E CB -0.075 29.603 29.700 -0.037 0.000 0.756 377 E HN 0.714 nan 8.360 nan 0.000 0.491 378 E N -0.509 119.583 120.200 -0.180 0.000 2.001 378 E HA -0.183 4.184 4.350 0.028 0.000 0.195 378 E C 1.959 178.296 176.600 -0.437 0.000 1.002 378 E CA 1.375 57.640 56.400 -0.225 0.000 0.819 378 E CB -0.361 29.229 29.700 -0.183 0.000 0.769 378 E HN 0.168 nan 8.360 nan 0.000 0.454 379 A N 1.137 123.522 122.820 -0.726 0.000 1.909 379 A HA 0.260 4.597 4.320 0.028 0.000 0.209 379 A C 0.983 178.007 177.584 -0.934 0.000 1.247 379 A CA 0.451 51.660 52.037 -1.380 0.000 0.660 379 A CB 0.424 18.395 19.000 -1.715 0.000 0.910 379 A HN 0.139 nan 8.150 nan 0.000 0.465 380 V N 2.029 121.613 119.914 -0.550 0.000 2.483 380 V HA 0.485 4.622 4.120 0.028 0.000 0.297 380 V C -1.042 175.025 176.094 -0.047 0.000 1.027 380 V CA -0.417 61.765 62.300 -0.196 0.000 0.855 380 V CB 1.208 32.851 31.823 -0.300 0.000 0.995 380 V HN 0.830 nan 8.190 nan 0.000 0.424 381 N N 3.137 121.901 118.700 0.107 0.000 3.344 381 N HA 0.458 5.215 4.740 0.028 0.000 0.296 381 N C 1.087 176.708 175.510 0.185 0.000 1.571 381 N CA -0.093 53.030 53.050 0.122 0.000 0.844 381 N CB 0.670 39.182 38.487 0.042 0.000 1.718 381 N HN 0.404 nan 8.380 nan 0.000 0.589 382 G N 0.020 108.892 108.800 0.120 0.000 2.599 382 G HA2 -0.369 3.607 3.960 0.028 0.000 0.219 382 G HA3 -0.369 3.607 3.960 0.028 0.000 0.219 382 G C 1.023 175.986 174.900 0.105 0.000 1.193 382 G CA 1.597 46.755 45.100 0.096 0.000 0.778 382 G HN 0.725 nan 8.290 nan 0.000 0.589 383 E N -0.448 119.812 120.200 0.099 0.000 2.118 383 E HA -0.072 4.294 4.350 0.028 0.000 0.195 383 E C 2.813 179.506 176.600 0.155 0.000 0.992 383 E CA 1.639 58.100 56.400 0.100 0.000 0.804 383 E CB -0.185 29.565 29.700 0.084 0.000 0.741 383 E HN 0.425 nan 8.360 nan 0.000 0.458 384 T N -0.140 114.546 114.554 0.220 0.000 2.985 384 T HA -0.092 4.275 4.350 0.028 0.000 0.266 384 T C 1.663 176.643 174.700 0.467 0.000 1.076 384 T CA 0.701 63.005 62.100 0.341 0.000 1.135 384 T CB 0.000 69.090 68.868 0.369 0.000 0.890 384 T HN 0.163 nan 8.240 nan 0.000 0.480 385 Q N 0.187 120.212 119.800 0.375 0.000 2.187 385 Q HA -0.071 4.286 4.340 0.028 0.000 0.199 385 Q C 2.254 178.297 176.000 0.071 0.000 0.957 385 Q CA 0.701 56.592 55.803 0.148 0.000 0.857 385 Q CB 0.137 28.822 28.738 -0.088 0.000 0.929 385 Q HN 0.407 nan 8.270 nan 0.000 0.453 386 Q N 0.086 119.944 119.800 0.095 0.000 1.965 386 Q HA -0.122 4.235 4.340 0.028 0.000 0.200 386 Q C 2.079 178.138 176.000 0.099 0.000 0.981 386 Q CA 1.512 57.353 55.803 0.063 0.000 0.834 386 Q CB -0.585 28.185 28.738 0.054 0.000 0.900 386 Q HN 0.416 nan 8.270 nan 0.000 0.426 387 A N 1.162 124.062 122.820 0.133 0.000 1.948 387 A HA -0.269 4.068 4.320 0.028 0.000 0.220 387 A C 2.030 179.725 177.584 0.186 0.000 1.177 387 A CA 2.029 54.146 52.037 0.134 0.000 0.636 387 A CB -0.832 18.253 19.000 0.140 0.000 0.815 387 A HN 0.416 nan 8.150 nan 0.000 0.449 388 H N -0.380 118.774 119.070 0.140 0.000 2.299 388 H HA -0.103 4.470 4.556 0.028 0.000 0.302 388 H C 2.002 177.350 175.328 0.034 0.000 1.078 388 H CA 1.877 57.996 56.048 0.118 0.000 1.323 388 H CB -0.564 29.259 29.762 0.101 0.000 1.381 388 H HN 0.364 nan 8.280 nan 0.000 0.498 389 L N 1.319 122.639 121.223 0.161 0.000 1.990 389 L HA -0.207 4.150 4.340 0.028 0.000 0.213 389 L C 2.586 179.493 176.870 0.060 0.000 1.072 389 L CA 2.462 57.328 54.840 0.044 0.000 0.755 389 L CB -1.155 40.888 42.059 -0.027 0.000 0.889 389 L HN 0.247 nan 8.230 nan 0.000 0.432 390 Q N -0.259 119.580 119.800 0.064 0.000 2.197 390 Q HA -0.189 4.168 4.340 0.028 0.000 0.207 390 Q C 2.041 178.079 176.000 0.063 0.000 0.984 390 Q CA 2.227 58.057 55.803 0.046 0.000 0.869 390 Q CB -0.455 28.304 28.738 0.036 0.000 0.906 390 Q HN 0.676 nan 8.270 nan 0.000 0.426 391 A N 0.177 123.058 122.820 0.101 0.000 1.872 391 A HA -0.098 4.239 4.320 0.028 0.000 0.214 391 A C 1.928 179.563 177.584 0.085 0.000 1.187 391 A CA 1.349 53.453 52.037 0.112 0.000 0.614 391 A CB -0.583 18.488 19.000 0.119 0.000 0.826 391 A HN 0.460 nan 8.150 nan 0.000 0.442 392 I N 0.207 120.829 120.570 0.086 0.000 2.208 392 I HA -0.260 3.927 4.170 0.028 0.000 0.245 392 I C 2.219 178.275 176.117 -0.102 0.000 1.097 392 I CA 1.642 62.934 61.300 -0.013 0.000 1.363 392 I CB -1.382 36.610 38.000 -0.013 0.000 1.051 392 I HN 0.373 nan 8.210 nan 0.000 0.413 393 K N 0.991 121.359 120.400 -0.054 0.000 1.978 393 K HA -0.204 4.132 4.320 0.028 0.000 0.214 393 K C 2.041 178.612 176.600 -0.047 0.000 1.049 393 K CA 1.710 57.958 56.287 -0.066 0.000 0.939 393 K CB -0.235 32.248 32.500 -0.028 0.000 0.721 393 K HN 0.400 nan 8.250 nan 0.000 0.441 394 E N 0.846 121.056 120.200 0.018 0.000 2.058 394 E HA -0.236 4.130 4.350 0.028 0.000 0.194 394 E C 2.123 178.758 176.600 0.059 0.000 0.997 394 E CA 1.188 57.629 56.400 0.068 0.000 0.801 394 E CB -0.263 29.522 29.700 0.142 0.000 0.746 394 E HN 0.138 nan 8.360 nan 0.000 0.450 395 L N 1.335 122.582 121.223 0.039 0.000 2.013 395 L HA -0.193 4.163 4.340 0.028 0.000 0.212 395 L C 2.144 178.984 176.870 -0.051 0.000 1.073 395 L CA 1.674 56.536 54.840 0.038 0.000 0.753 395 L CB -0.342 41.731 42.059 0.023 0.000 0.890 395 L HN 0.101 nan 8.230 nan 0.000 0.432 396 I N -0.370 120.043 120.570 -0.262 0.000 2.315 396 I HA -0.226 3.961 4.170 0.028 0.000 0.248 396 I C 2.509 178.581 176.117 -0.075 0.000 1.117 396 I CA 0.994 62.068 61.300 -0.376 0.000 1.404 396 I CB -0.554 37.089 38.000 -0.595 0.000 1.071 396 I HN 0.397 nan 8.210 nan 0.000 0.419 397 A N 0.370 123.167 122.820 -0.038 0.000 2.070 397 A HA -0.213 4.124 4.320 0.028 0.000 0.220 397 A C 2.421 180.047 177.584 0.070 0.000 1.159 397 A CA 1.473 53.520 52.037 0.017 0.000 0.656 397 A CB -0.498 18.512 19.000 0.016 0.000 0.800 397 A HN 0.371 nan 8.150 nan 0.000 0.453 398 R N -1.123 119.440 120.500 0.105 0.000 2.123 398 R HA -0.002 4.354 4.340 0.028 0.000 0.209 398 R C 0.043 176.487 176.300 0.239 0.000 1.078 398 R CA 1.096 57.292 56.100 0.161 0.000 1.028 398 R CB 0.227 30.635 30.300 0.180 0.000 0.939 398 R HN 0.333 nan 8.270 nan 0.000 0.463 399 D N 0.336 120.924 120.400 0.313 0.000 2.440 399 D HA -0.001 4.656 4.640 0.028 0.000 0.216 399 D C 0.806 177.385 176.300 0.466 0.000 1.150 399 D CA 0.139 54.447 54.000 0.513 0.000 0.832 399 D CB 0.629 41.764 40.800 0.559 0.000 0.992 399 D HN 0.343 nan 8.370 nan 0.000 0.502 400 K N 0.163 120.757 120.400 0.323 0.000 2.360 400 K HA -0.043 4.293 4.320 0.028 0.000 0.201 400 K C 0.725 177.393 176.600 0.114 0.000 1.046 400 K CA 0.932 57.392 56.287 0.289 0.000 0.945 400 K CB -0.162 32.442 32.500 0.172 0.000 0.750 400 K HN 0.026 nan 8.250 nan 0.000 0.464 401 N N 0.038 118.740 118.700 0.003 0.000 2.205 401 N HA 0.044 4.800 4.740 0.028 0.000 0.201 401 N C -0.704 174.671 175.510 -0.225 0.000 1.128 401 N CA -0.309 52.669 53.050 -0.120 0.000 0.867 401 N CB 0.425 38.829 38.487 -0.139 0.000 0.996 401 N HN 0.162 nan 8.380 nan 0.000 0.503 402 H N 0.768 119.825 119.070 -0.022 0.000 2.761 402 H HA 0.130 4.703 4.556 0.028 0.000 0.284 402 H C -1.669 173.516 175.328 -0.237 0.000 1.105 402 H CA -1.639 54.360 56.048 -0.083 0.000 1.352 402 H CB 1.360 31.110 29.762 -0.019 0.000 1.423 402 H HN 0.118 nan 8.280 nan 0.000 0.464 403 P HA -0.150 nan 4.420 nan 0.000 0.222 403 P C 1.593 178.379 177.300 -0.856 0.000 1.147 403 P CA 1.070 63.754 63.100 -0.694 0.000 0.790 403 P CB 0.355 31.386 31.700 -1.114 0.000 0.780 404 S N -1.320 114.112 115.700 -0.448 0.000 2.383 404 S HA -0.059 4.428 4.470 0.028 0.000 0.227 404 S C 1.044 175.505 174.600 -0.233 0.000 1.026 404 S CA 0.468 58.555 58.200 -0.188 0.000 0.981 404 S CB -1.589 61.660 63.200 0.081 0.000 0.818 404 S HN -0.081 nan 8.310 nan 0.000 0.472 405 V N 4.244 124.002 119.914 -0.259 0.000 2.458 405 V HA 0.281 4.417 4.120 0.028 0.000 0.287 405 V C 0.589 176.433 176.094 -0.417 0.000 1.009 405 V CA -0.029 62.047 62.300 -0.374 0.000 1.091 405 V CB -0.169 31.379 31.823 -0.459 0.000 0.960 405 V HN 0.502 nan 8.190 nan 0.000 0.476 409 S N 3.469 119.289 115.700 0.200 0.000 2.520 409 S HA 0.293 4.780 4.470 0.028 0.000 0.324 409 S C 0.869 175.512 174.600 0.073 0.000 1.069 409 S CA -0.553 57.672 58.200 0.041 0.000 1.121 409 S CB 0.201 63.377 63.200 -0.040 0.000 0.971 409 S HN 0.427 nan 8.310 nan 0.000 0.463 410 I N 3.349 123.941 120.570 0.037 0.000 2.226 410 I HA 0.098 4.284 4.170 0.028 0.000 0.245 410 I C 1.360 177.585 176.117 0.181 0.000 1.100 410 I CA 0.997 62.377 61.300 0.134 0.000 1.374 410 I CB -1.653 36.443 38.000 0.159 0.000 1.057 410 I HN 0.683 nan 8.210 nan 0.000 0.413 411 A N -0.015 122.829 122.820 0.041 0.000 2.564 411 A HA 0.651 4.988 4.320 0.028 0.000 0.291 411 A C -1.049 176.521 177.584 -0.024 0.000 1.102 411 A CA -0.560 51.526 52.037 0.081 0.000 0.660 411 A CB 1.221 20.344 19.000 0.205 0.000 1.283 411 A HN 0.191 nan 8.150 nan 0.000 0.430 412 N N 0.365 119.074 118.700 0.014 0.000 2.410 412 N HA 0.446 5.203 4.740 0.028 0.000 0.287 412 N C -0.940 174.545 175.510 -0.042 0.000 1.044 412 N CA -0.086 52.927 53.050 -0.061 0.000 0.881 412 N CB 0.940 39.339 38.487 -0.148 0.000 1.405 412 N HN 0.663 nan 8.380 nan 0.000 0.490 413 E N 0.503 120.653 120.200 -0.083 0.000 2.252 413 E HA -0.164 4.203 4.350 0.028 0.000 0.218 413 E C -2.278 174.342 176.600 0.034 0.000 1.253 413 E CA 0.207 56.566 56.400 -0.068 0.000 0.705 413 E CB -1.274 28.385 29.700 -0.068 0.000 1.172 413 E HN 0.546 nan 8.360 nan 0.000 0.369 414 P HA 0.060 nan 4.420 nan 0.000 0.278 414 P C -0.184 177.234 177.300 0.197 0.000 1.238 414 P CA -0.096 63.138 63.100 0.224 0.000 0.794 414 P CB 0.758 32.584 31.700 0.210 0.000 0.955 415 D N 1.877 122.450 120.400 0.289 0.000 2.338 415 D HA 0.084 4.740 4.640 0.028 0.000 0.255 415 D C 0.658 177.186 176.300 0.380 0.000 1.237 415 D CA 0.200 54.389 54.000 0.315 0.000 0.883 415 D CB 0.116 41.086 40.800 0.283 0.000 1.087 415 D HN 0.251 nan 8.370 nan 0.000 0.485 416 T N 0.740 115.474 114.554 0.299 0.000 3.243 416 T HA 0.287 4.653 4.350 0.028 0.000 0.264 416 T C 1.179 176.019 174.700 0.233 0.000 1.000 416 T CA -0.365 61.904 62.100 0.281 0.000 0.901 416 T CB 0.153 69.133 68.868 0.186 0.000 1.083 416 T HN 0.246 nan 8.240 nan 0.000 0.559 417 R N 0.521 121.171 120.500 0.250 0.000 2.167 417 R HA 0.270 4.627 4.340 0.028 0.000 0.201 417 R C -1.518 174.885 176.300 0.171 0.000 1.024 417 R CA -0.399 55.815 56.100 0.190 0.000 1.053 417 R CB -1.136 29.276 30.300 0.185 0.000 0.987 417 R HN 0.366 nan 8.270 nan 0.000 0.493 418 P HA -0.074 nan 4.420 nan 0.000 0.273 418 P C 0.241 177.644 177.300 0.172 0.000 1.252 418 P CA 0.121 63.346 63.100 0.208 0.000 0.809 418 P CB 0.565 32.449 31.700 0.307 0.000 1.017 419 Q N 0.273 120.156 119.800 0.139 0.000 1.994 419 Q HA -0.038 4.319 4.340 0.028 0.000 0.198 419 Q C 2.055 178.050 176.000 -0.008 0.000 0.976 419 Q CA 2.323 58.165 55.803 0.065 0.000 0.828 419 Q CB -1.385 27.386 28.738 0.055 0.000 0.894 419 Q HN 0.627 nan 8.270 nan 0.000 0.432 420 G N -0.308 108.473 108.800 -0.031 0.000 2.708 420 G HA2 -0.005 3.971 3.960 0.028 0.000 0.210 420 G HA3 -0.005 3.971 3.960 0.028 0.000 0.210 420 G C 1.301 175.825 174.900 -0.626 0.000 1.141 420 G CA 0.692 45.668 45.100 -0.206 0.000 0.788 420 G HN 0.486 nan 8.290 nan 0.000 0.531 421 A N 1.092 123.441 122.820 -0.784 0.000 1.903 421 A HA -0.165 4.172 4.320 0.028 0.000 0.219 421 A C 2.286 179.798 177.584 -0.121 0.000 1.191 421 A CA 1.977 53.587 52.037 -0.712 0.000 0.638 421 A CB -0.425 18.534 19.000 -0.068 0.000 0.823 421 A HN 0.401 nan 8.150 nan 0.000 0.451 422 R N -0.577 119.898 120.500 -0.042 0.000 2.093 422 R HA -0.082 4.275 4.340 0.028 0.000 0.224 422 R C 1.763 178.072 176.300 0.015 0.000 1.101 422 R CA 1.458 57.586 56.100 0.046 0.000 0.979 422 R CB -0.156 30.163 30.300 0.032 0.000 0.877 422 R HN 0.552 nan 8.270 nan 0.000 0.441 423 E N -0.934 119.243 120.200 -0.038 0.000 2.418 423 E HA -0.163 4.204 4.350 0.028 0.000 0.197 423 E C 1.000 177.567 176.600 -0.055 0.000 1.026 423 E CA 0.726 57.101 56.400 -0.042 0.000 0.862 423 E CB -0.048 29.630 29.700 -0.036 0.000 0.799 423 E HN 0.428 nan 8.360 nan 0.000 0.518 424 Y N -0.956 119.213 120.300 -0.219 0.000 2.262 424 Y HA -0.019 4.548 4.550 0.028 0.000 0.295 424 Y C 1.259 176.960 175.900 -0.331 0.000 1.121 424 Y CA 1.124 59.044 58.100 -0.300 0.000 1.144 424 Y CB 0.081 38.265 38.460 -0.459 0.000 1.043 424 Y HN -0.034 nan 8.280 nan 0.000 0.528 425 F N -0.313 119.629 119.950 -0.014 0.000 2.569 425 F HA 0.167 4.710 4.527 0.028 0.000 0.295 425 F C 2.372 178.085 175.800 -0.146 0.000 1.115 425 F CA 0.649 58.616 58.000 -0.054 0.000 1.450 425 F CB -0.748 38.353 39.000 0.169 0.000 1.107 425 F HN 0.143 nan 8.300 nan 0.000 0.563 426 A N 0.982 123.804 122.820 0.003 0.000 1.865 426 A HA -0.136 4.200 4.320 0.028 0.000 0.217 426 A C -0.150 177.354 177.584 -0.133 0.000 1.191 426 A CA 1.707 53.692 52.037 -0.086 0.000 0.623 426 A CB -1.945 17.013 19.000 -0.071 0.000 0.826 426 A HN 0.195 nan 8.150 nan 0.000 0.444 427 P HA -0.118 nan 4.420 nan 0.000 0.216 427 P C 1.447 178.641 177.300 -0.178 0.000 1.153 427 P CA 0.919 63.920 63.100 -0.166 0.000 0.848 427 P CB -0.174 31.409 31.700 -0.195 0.000 0.787 428 L N -1.000 120.083 121.223 -0.234 0.000 2.046 428 L HA -0.142 4.214 4.340 0.028 0.000 0.208 428 L C 2.525 179.336 176.870 -0.097 0.000 1.077 428 L CA 1.589 56.304 54.840 -0.208 0.000 0.747 428 L CB -1.370 40.474 42.059 -0.357 0.000 0.896 428 L HN -0.069 nan 8.230 nan 0.000 0.432 429 A N -0.097 122.671 122.820 -0.086 0.000 1.972 429 A HA -0.209 4.128 4.320 0.028 0.000 0.219 429 A C 2.201 179.703 177.584 -0.137 0.000 1.169 429 A CA 1.652 53.602 52.037 -0.145 0.000 0.635 429 A CB -0.360 18.349 19.000 -0.485 0.000 0.810 429 A HN 0.484 nan 8.150 nan 0.000 0.446 430 E N -0.409 119.712 120.200 -0.132 0.000 2.046 430 E HA -0.023 4.343 4.350 0.028 0.000 0.190 430 E C 2.343 178.892 176.600 -0.085 0.000 0.982 430 E CA 0.803 57.139 56.400 -0.106 0.000 0.800 430 E CB -0.259 29.380 29.700 -0.102 0.000 0.756 430 E HN 0.595 nan 8.360 nan 0.000 0.449 431 A N 1.000 123.766 122.820 -0.091 0.000 1.969 431 A HA -0.154 4.182 4.320 0.028 0.000 0.218 431 A C 2.329 179.865 177.584 -0.080 0.000 1.169 431 A CA 1.690 53.676 52.037 -0.085 0.000 0.635 431 A CB -0.777 18.167 19.000 -0.094 0.000 0.810 431 A HN 0.158 nan 8.150 nan 0.000 0.445 432 T N 0.082 114.595 114.554 -0.069 0.000 2.674 432 T HA -0.168 4.199 4.350 0.028 0.000 0.265 432 T C 2.015 176.686 174.700 -0.048 0.000 1.039 432 T CA 1.682 63.739 62.100 -0.072 0.000 1.150 432 T CB -0.278 68.583 68.868 -0.013 0.000 0.864 432 T HN 0.573 nan 8.240 nan 0.000 0.427 433 R N 0.994 121.486 120.500 -0.012 0.000 2.127 433 R HA -0.001 4.355 4.340 0.028 0.000 0.238 433 R C 2.345 178.631 176.300 -0.023 0.000 1.134 433 R CA 0.830 56.934 56.100 0.007 0.000 0.975 433 R CB -0.097 30.200 30.300 -0.005 0.000 0.865 433 R HN 0.234 nan 8.270 nan 0.000 0.447 434 K N 0.589 120.959 120.400 -0.049 0.000 2.365 434 K HA -0.023 4.313 4.320 0.028 0.000 0.199 434 K C 1.878 178.433 176.600 -0.076 0.000 1.045 434 K CA 0.797 57.046 56.287 -0.064 0.000 0.962 434 K CB 0.140 32.599 32.500 -0.068 0.000 0.759 434 K HN 0.253 nan 8.250 nan 0.000 0.469 435 L N -0.157 121.018 121.223 -0.081 0.000 2.221 435 L HA 0.034 4.390 4.340 0.028 0.000 0.202 435 L C 0.302 177.127 176.870 -0.074 0.000 1.074 435 L CA 0.490 55.270 54.840 -0.100 0.000 0.795 435 L CB 0.264 42.237 42.059 -0.144 0.000 0.960 435 L HN -0.026 nan 8.230 nan 0.000 0.458 436 D N -0.965 119.418 120.400 -0.029 0.000 2.375 436 D HA 0.214 4.871 4.640 0.028 0.000 0.241 436 D C -2.348 174.029 176.300 0.128 0.000 1.361 436 D CA -1.535 52.518 54.000 0.089 0.000 0.995 436 D CB 1.729 42.693 40.800 0.273 0.000 1.312 436 D HN -0.196 nan 8.370 nan 0.000 0.576 437 P HA 0.136 nan 4.420 nan 0.000 0.261 437 P C 0.881 178.201 177.300 0.033 0.000 1.352 437 P CA 0.174 63.298 63.100 0.040 0.000 0.891 437 P CB 0.375 32.074 31.700 -0.002 0.000 1.383 438 T N -3.699 110.883 114.554 0.047 0.000 3.044 438 T HA 0.234 4.601 4.350 0.028 0.000 0.250 438 T C 0.771 175.443 174.700 -0.047 0.000 1.081 438 T CA -0.063 62.031 62.100 -0.011 0.000 1.040 438 T CB -0.008 68.836 68.868 -0.041 0.000 0.962 438 T HN -0.027 nan 8.240 nan 0.000 0.506 439 R N 1.594 122.094 120.500 0.001 0.000 2.621 439 R HA 0.552 4.909 4.340 0.028 0.000 0.292 439 R C -3.053 173.246 176.300 -0.002 0.000 0.969 439 R CA -2.301 53.738 56.100 -0.101 0.000 0.887 439 R CB 1.531 31.600 30.300 -0.385 0.000 1.180 439 R HN 0.122 nan 8.270 nan 0.000 0.450 440 P HA 0.046 nan 4.420 nan 0.000 0.270 440 P C -0.566 176.814 177.300 0.133 0.000 1.227 440 P CA -0.040 63.083 63.100 0.038 0.000 0.788 440 P CB 0.479 32.180 31.700 0.002 0.000 0.926 441 I N -3.083 117.602 120.570 0.192 0.000 2.730 441 I HA 0.801 4.987 4.170 0.028 0.000 0.298 441 I C -0.671 175.598 176.117 0.254 0.000 1.089 441 I CA -0.569 60.897 61.300 0.276 0.000 1.041 441 I CB 2.676 40.893 38.000 0.361 0.000 1.235 441 I HN 0.177 nan 8.210 nan 0.000 0.423 442 T N 3.573 118.173 114.554 0.077 0.000 2.864 442 T HA 0.516 4.882 4.350 0.028 0.000 0.299 442 T C -1.732 172.576 174.700 -0.653 0.000 1.166 442 T CA -0.437 61.527 62.100 -0.228 0.000 1.007 442 T CB 1.750 70.504 68.868 -0.190 0.000 1.219 442 T HN 0.890 nan 8.240 nan 0.000 0.506 443 C N 3.758 122.446 119.300 -1.021 0.000 2.364 443 C HA 0.735 5.212 4.460 0.028 0.000 0.324 443 C C -0.387 174.290 174.990 -0.522 0.000 1.234 443 C CA -0.477 58.019 59.018 -0.871 0.000 1.417 443 C CB -0.326 26.630 27.740 -1.307 0.000 2.101 443 C HN 0.769 nan 8.230 nan 0.000 0.466 444 V N 6.675 126.384 119.914 -0.342 0.000 2.479 444 V HA 0.109 4.245 4.120 0.028 0.000 0.281 444 V C 0.510 176.461 176.094 -0.239 0.000 1.031 444 V CA 0.331 62.476 62.300 -0.258 0.000 1.038 444 V CB 0.353 32.076 31.823 -0.168 0.000 0.981 444 V HN 0.896 nan 8.190 nan 0.000 0.478 445 N N 4.470 123.022 118.700 -0.247 0.000 2.455 445 N HA 0.368 5.124 4.740 0.028 0.000 0.280 445 N C -0.412 174.995 175.510 -0.172 0.000 1.055 445 N CA -0.319 52.605 53.050 -0.210 0.000 0.961 445 N CB 1.723 40.068 38.487 -0.237 0.000 1.121 445 N HN 0.444 nan 8.380 nan 0.000 0.476 449 C N 3.186 122.535 119.300 0.081 0.000 2.303 449 C HA 0.746 5.223 4.460 0.028 0.000 0.326 449 C C 0.021 175.128 174.990 0.194 0.000 1.285 449 C CA -0.173 58.939 59.018 0.157 0.000 1.675 449 C CB 0.097 27.898 27.740 0.101 0.000 2.289 449 C HN 0.665 nan 8.230 nan 0.000 0.512 450 D N 1.191 121.695 120.400 0.172 0.000 2.781 450 D HA 0.616 5.273 4.640 0.028 0.000 0.295 450 D C 0.768 176.887 176.300 -0.302 0.000 1.143 450 D CA -0.349 53.720 54.000 0.116 0.000 1.076 450 D CB 0.715 41.549 40.800 0.058 0.000 1.444 450 D HN 0.352 nan 8.370 nan 0.000 0.567 451 A N -0.491 121.729 122.820 -1.000 0.000 1.884 451 A HA -0.268 4.069 4.320 0.028 0.000 0.219 451 A C 1.736 178.836 177.584 -0.807 0.000 1.197 451 A CA 2.204 53.331 52.037 -1.515 0.000 0.637 451 A CB -1.643 16.398 19.000 -1.598 0.000 0.827 451 A HN 0.743 nan 8.150 nan 0.000 0.450 452 H N -0.782 118.126 119.070 -0.271 0.000 2.555 452 H HA 0.102 4.675 4.556 0.028 0.000 0.269 452 H C 1.771 177.063 175.328 -0.061 0.000 0.988 452 H CA 1.295 57.260 56.048 -0.138 0.000 1.178 452 H CB -0.058 29.647 29.762 -0.095 0.000 1.373 452 H HN 0.638 nan 8.280 nan 0.000 0.588 453 T N -3.029 111.534 114.554 0.014 0.000 2.954 453 T HA -0.001 4.366 4.350 0.028 0.000 0.252 453 T C 0.509 175.265 174.700 0.094 0.000 0.983 453 T CA -0.181 61.966 62.100 0.077 0.000 0.941 453 T CB -0.063 68.877 68.868 0.121 0.000 1.141 453 T HN 0.191 nan 8.240 nan 0.000 0.500 454 D N 2.908 123.363 120.400 0.092 0.000 2.425 454 D HA 0.180 4.836 4.640 0.028 0.000 0.247 454 D C 1.441 177.822 176.300 0.137 0.000 1.147 454 D CA 0.660 54.757 54.000 0.160 0.000 0.879 454 D CB 1.269 42.249 40.800 0.301 0.000 1.179 454 D HN 0.287 nan 8.370 nan 0.000 0.456 455 T N 1.428 116.063 114.554 0.134 0.000 3.044 455 T HA 0.078 4.445 4.350 0.028 0.000 0.250 455 T C 1.286 176.057 174.700 0.118 0.000 1.081 455 T CA -0.151 62.016 62.100 0.110 0.000 1.040 455 T CB 0.187 69.112 68.868 0.096 0.000 0.962 455 T HN 0.404 nan 8.240 nan 0.000 0.506 456 I N 1.131 121.787 120.570 0.143 0.000 4.050 456 I HA 0.420 4.606 4.170 0.028 0.000 0.327 456 I C 1.340 177.587 176.117 0.216 0.000 1.473 456 I CA -0.109 61.284 61.300 0.155 0.000 1.124 456 I CB 0.112 38.193 38.000 0.135 0.000 1.129 456 I HN 0.163 nan 8.210 nan 0.000 0.428 457 S N 0.973 116.804 115.700 0.218 0.000 2.414 457 S HA -0.107 4.379 4.470 0.028 0.000 0.227 457 S C 1.654 176.388 174.600 0.223 0.000 1.022 457 S CA 1.241 59.584 58.200 0.238 0.000 0.958 457 S CB 0.001 63.341 63.200 0.233 0.000 0.797 457 S HN 0.601 nan 8.310 nan 0.000 0.493 458 D N 1.709 122.200 120.400 0.152 0.000 2.265 458 D HA -0.130 4.527 4.640 0.028 0.000 0.208 458 D C 1.520 177.823 176.300 0.006 0.000 0.977 458 D CA 0.693 54.746 54.000 0.088 0.000 0.871 458 D CB -0.458 40.383 40.800 0.067 0.000 0.925 458 D HN 0.345 nan 8.370 nan 0.000 0.485 459 L N -1.189 119.982 121.223 -0.086 0.000 2.552 459 L HA 0.089 4.446 4.340 0.028 0.000 0.227 459 L C 0.305 176.825 176.870 -0.584 0.000 1.146 459 L CA 0.296 54.916 54.840 -0.367 0.000 0.858 459 L CB -0.090 41.645 42.059 -0.539 0.000 0.969 459 L HN -0.130 nan 8.230 nan 0.000 0.451 460 F N -1.778 118.167 119.950 -0.007 0.000 2.594 460 F HA 0.262 4.807 4.527 0.029 0.000 0.335 460 F C 1.085 176.881 175.800 -0.007 0.000 1.058 460 F CA -0.949 57.044 58.000 -0.013 0.000 0.981 460 F CB 0.762 39.738 39.000 -0.039 0.000 1.289 460 F HN -0.251 nan 8.300 nan 0.000 0.490 461 D N -0.071 120.455 120.400 0.210 0.000 2.197 461 D HA 0.085 4.742 4.640 0.028 0.000 0.212 461 D C 0.098 176.456 176.300 0.096 0.000 0.963 461 D CA 1.277 55.343 54.000 0.110 0.000 0.864 461 D CB 0.219 41.068 40.800 0.081 0.000 1.009 461 D HN 0.024 nan 8.370 nan 0.000 0.479 462 V N 1.605 121.575 119.914 0.094 0.000 2.581 462 V HA 0.255 4.392 4.120 0.028 0.000 0.303 462 V C -0.493 175.562 176.094 -0.064 0.000 1.041 462 V CA -0.981 61.346 62.300 0.045 0.000 0.907 462 V CB 2.513 34.396 31.823 0.100 0.000 0.994 462 V HN -0.026 nan 8.190 nan 0.000 0.442 463 L N 5.006 126.155 121.223 -0.124 0.000 2.261 463 L HA 0.476 4.833 4.340 0.028 0.000 0.289 463 L C -0.388 176.292 176.870 -0.316 0.000 1.059 463 L CA 0.300 54.981 54.840 -0.265 0.000 0.816 463 L CB 0.284 42.147 42.059 -0.327 0.000 1.191 463 L HN 0.774 nan 8.230 nan 0.000 0.431 464 C N 6.355 125.451 119.300 -0.341 0.000 2.281 464 C HA 0.592 5.069 4.460 0.028 0.000 0.323 464 C C -0.083 174.716 174.990 -0.317 0.000 1.270 464 C CA -0.951 57.875 59.018 -0.320 0.000 1.559 464 C CB 0.126 27.686 27.740 -0.299 0.000 2.239 464 C HN 0.675 nan 8.230 nan 0.000 0.488 465 L N 4.452 125.513 121.223 -0.270 0.000 2.356 465 L HA 0.456 4.812 4.340 0.028 0.000 0.277 465 L C -0.648 176.155 176.870 -0.110 0.000 0.996 465 L CA -0.395 54.313 54.840 -0.220 0.000 0.822 465 L CB 1.252 43.170 42.059 -0.236 0.000 1.256 465 L HN 0.584 nan 8.230 nan 0.000 0.413 466 N N 3.720 122.365 118.700 -0.091 0.000 2.414 466 N HA 0.397 5.154 4.740 0.028 0.000 0.256 466 N C -0.698 174.785 175.510 -0.046 0.000 1.029 466 N CA -0.523 52.490 53.050 -0.062 0.000 0.948 466 N CB 1.121 39.600 38.487 -0.013 0.000 1.102 466 N HN 0.327 nan 8.380 nan 0.000 0.496 467 R N 2.107 122.536 120.500 -0.118 0.000 2.575 467 R HA 0.382 4.738 4.340 0.028 0.000 0.293 467 R C -1.206 175.039 176.300 -0.091 0.000 0.983 467 R CA -0.638 55.428 56.100 -0.058 0.000 0.887 467 R CB 0.914 31.311 30.300 0.161 0.000 1.184 467 R HN 0.524 nan 8.270 nan 0.000 0.445 468 Y N 2.392 122.874 120.300 0.304 0.000 2.373 468 Y HA 0.301 4.867 4.550 0.026 0.000 0.327 468 Y C 0.289 176.458 175.900 0.450 0.000 1.036 468 Y CA -0.420 58.004 58.100 0.539 0.000 1.265 468 Y CB 1.251 39.981 38.460 0.450 0.000 1.108 468 Y HN 0.618 nan 8.280 nan 0.000 0.471 469 Y N -0.080 120.743 120.300 0.870 0.000 2.581 469 Y HA 0.211 4.777 4.550 0.027 0.000 0.271 469 Y C 2.106 178.372 175.900 0.610 0.000 1.100 469 Y CA 0.333 58.773 58.100 0.566 0.000 1.281 469 Y CB 0.900 39.551 38.460 0.319 0.000 1.237 469 Y HN 0.763 nan 8.280 nan 0.000 0.514 470 G N -0.834 108.628 108.800 1.104 0.000 3.141 470 G HA2 -0.088 3.889 3.960 0.028 0.000 0.218 470 G HA3 -0.088 3.889 3.960 0.028 0.000 0.218 470 G C 0.776 176.163 174.900 0.812 0.000 1.170 470 G CA -0.088 45.656 45.100 1.074 0.000 0.769 470 G HN 0.424 nan 8.290 nan 0.000 0.546 471 W N -0.799 120.715 121.300 0.358 0.000 4.059 471 W HA 0.164 4.838 4.660 0.023 0.000 0.200 471 W C 1.557 178.060 176.519 -0.028 0.000 1.818 471 W CA 0.061 57.375 57.345 -0.052 0.000 2.501 471 W CB -0.231 28.979 29.460 -0.417 0.000 1.455 471 W HN 0.199 nan 8.180 nan 0.000 0.604 472 Y N 1.579 122.022 120.300 0.239 0.000 2.242 472 Y HA -0.141 4.426 4.550 0.029 0.000 0.291 472 Y C 1.348 177.303 175.900 0.092 0.000 1.137 472 Y CA 1.607 59.744 58.100 0.062 0.000 1.181 472 Y CB -0.666 37.895 38.460 0.167 0.000 0.989 472 Y HN -0.327 nan 8.280 nan 0.000 0.527 473 V N -3.022 117.102 119.914 0.350 0.000 3.103 473 V HA 0.383 4.519 4.120 0.028 0.000 0.318 473 V C -0.085 176.186 176.094 0.294 0.000 1.114 473 V CA -1.605 60.869 62.300 0.290 0.000 1.020 473 V CB 1.544 33.565 31.823 0.330 0.000 1.085 473 V HN 0.202 nan 8.190 nan 0.000 0.446 474 Q N 0.195 120.140 119.800 0.240 0.000 2.411 474 Q HA -0.165 4.192 4.340 0.028 0.000 0.305 474 Q C 0.479 176.610 176.000 0.218 0.000 1.273 474 Q CA 1.085 57.022 55.803 0.223 0.000 0.895 474 Q CB -2.217 26.682 28.738 0.268 0.000 1.198 474 Q HN 0.901 nan 8.270 nan 0.000 0.470 475 S N 0.351 116.133 115.700 0.137 0.000 2.784 475 S HA 0.196 4.683 4.470 0.028 0.000 0.322 475 S C 1.520 176.187 174.600 0.112 0.000 1.234 475 S CA 0.837 59.067 58.200 0.051 0.000 1.064 475 S CB 0.189 63.353 63.200 -0.060 0.000 0.787 475 S HN 1.032 nan 8.310 nan 0.000 0.506 476 G N 3.224 112.142 108.800 0.198 0.000 2.233 476 G HA2 -0.250 3.727 3.960 0.028 0.000 0.270 476 G HA3 -0.250 3.727 3.960 0.028 0.000 0.270 476 G C -0.223 174.877 174.900 0.334 0.000 1.011 476 G CA 0.353 45.615 45.100 0.270 0.000 0.762 476 G HN 0.749 nan 8.290 nan 0.000 0.511 477 D N 0.226 120.819 120.400 0.322 0.000 2.458 477 D HA 0.408 5.065 4.640 0.028 0.000 0.258 477 D C 1.725 178.172 176.300 0.246 0.000 1.134 477 D CA -0.853 53.293 54.000 0.244 0.000 0.915 477 D CB 0.138 41.040 40.800 0.171 0.000 1.028 477 D HN -0.073 nan 8.370 nan 0.000 0.508 478 L N 2.044 123.415 121.223 0.247 0.000 2.131 478 L HA -0.075 4.281 4.340 0.028 0.000 0.210 478 L C 2.002 178.912 176.870 0.068 0.000 1.092 478 L CA 1.238 56.169 54.840 0.152 0.000 0.759 478 L CB -0.911 41.212 42.059 0.106 0.000 0.903 478 L HN 0.493 nan 8.230 nan 0.000 0.435 479 E N -0.408 119.838 120.200 0.077 0.000 2.106 479 E HA -0.185 4.182 4.350 0.028 0.000 0.192 479 E C 2.108 178.718 176.600 0.017 0.000 0.984 479 E CA 1.793 58.215 56.400 0.037 0.000 0.806 479 E CB 0.245 29.974 29.700 0.048 0.000 0.750 479 E HN 0.610 nan 8.360 nan 0.000 0.458 480 T N -2.517 112.063 114.554 0.042 0.000 3.010 480 T HA 0.214 4.581 4.350 0.028 0.000 0.252 480 T C 2.011 176.712 174.700 0.002 0.000 1.047 480 T CA 0.527 62.641 62.100 0.023 0.000 1.140 480 T CB -0.045 68.853 68.868 0.050 0.000 0.885 480 T HN 0.125 nan 8.240 nan 0.000 0.464 481 A N 1.751 124.606 122.820 0.059 0.000 1.986 481 A HA -0.166 4.170 4.320 0.028 0.000 0.220 481 A C 2.277 179.785 177.584 -0.127 0.000 1.171 481 A CA 2.103 54.178 52.037 0.064 0.000 0.640 481 A CB -0.941 18.198 19.000 0.231 0.000 0.811 481 A HN 0.761 nan 8.150 nan 0.000 0.451 482 E N -0.036 120.078 120.200 -0.144 0.000 2.031 482 E HA -0.216 4.150 4.350 0.028 0.000 0.193 482 E C 1.961 178.421 176.600 -0.233 0.000 0.994 482 E CA 1.475 57.734 56.400 -0.235 0.000 0.800 482 E CB -0.127 29.469 29.700 -0.174 0.000 0.752 482 E HN 0.648 nan 8.360 nan 0.000 0.447 483 K N 0.155 120.461 120.400 -0.157 0.000 1.987 483 K HA -0.200 4.136 4.320 0.028 0.000 0.216 483 K C 2.236 178.717 176.600 -0.199 0.000 1.051 483 K CA 1.972 58.175 56.287 -0.141 0.000 0.942 483 K CB -0.493 31.956 32.500 -0.085 0.000 0.722 483 K HN 0.058 nan 8.250 nan 0.000 0.444 484 V N 1.928 121.701 119.914 -0.235 0.000 2.250 484 V HA -0.286 3.851 4.120 0.028 0.000 0.250 484 V C 2.331 178.067 176.094 -0.597 0.000 1.060 484 V CA 1.930 64.011 62.300 -0.365 0.000 1.030 484 V CB -0.664 30.919 31.823 -0.400 0.000 0.643 484 V HN 0.279 nan 8.190 nan 0.000 0.445 485 L N 0.171 120.952 121.223 -0.737 0.000 1.989 485 L HA -0.212 4.144 4.340 0.028 0.000 0.211 485 L C 2.485 179.153 176.870 -0.337 0.000 1.071 485 L CA 2.509 56.953 54.840 -0.660 0.000 0.749 485 L CB -0.799 40.902 42.059 -0.597 0.000 0.890 485 L HN 0.471 nan 8.230 nan 0.000 0.431 486 E N -0.552 119.473 120.200 -0.292 0.000 2.028 486 E HA -0.297 4.070 4.350 0.028 0.000 0.191 486 E C 2.305 178.836 176.600 -0.115 0.000 0.988 486 E CA 1.321 57.613 56.400 -0.179 0.000 0.799 486 E CB -0.184 29.416 29.700 -0.165 0.000 0.755 486 E HN 0.492 nan 8.360 nan 0.000 0.447 487 K N 0.557 120.880 120.400 -0.129 0.000 2.089 487 K HA -0.288 4.049 4.320 0.028 0.000 0.210 487 K C 2.094 178.657 176.600 -0.062 0.000 1.048 487 K CA 2.036 58.273 56.287 -0.083 0.000 0.926 487 K CB -0.097 32.351 32.500 -0.087 0.000 0.714 487 K HN 0.016 nan 8.250 nan 0.000 0.448 488 E N 0.687 120.834 120.200 -0.088 0.000 2.046 488 E HA -0.117 4.250 4.350 0.028 0.000 0.190 488 E C 2.017 178.676 176.600 0.099 0.000 0.982 488 E CA 1.070 57.462 56.400 -0.013 0.000 0.800 488 E CB -0.222 29.500 29.700 0.036 0.000 0.756 488 E HN 0.339 nan 8.360 nan 0.000 0.449 489 L N 0.223 121.511 121.223 0.108 0.000 2.042 489 L HA -0.167 4.190 4.340 0.028 0.000 0.210 489 L C 2.551 179.502 176.870 0.136 0.000 1.076 489 L CA 1.116 56.060 54.840 0.173 0.000 0.749 489 L CB -0.434 41.679 42.059 0.091 0.000 0.893 489 L HN 0.261 nan 8.230 nan 0.000 0.432 490 L N -0.670 120.584 121.223 0.052 0.000 2.201 490 L HA -0.135 4.222 4.340 0.028 0.000 0.212 490 L C 2.762 179.638 176.870 0.009 0.000 1.105 490 L CA 0.808 55.666 54.840 0.031 0.000 0.775 490 L CB -0.605 41.458 42.059 0.007 0.000 0.913 490 L HN 0.217 nan 8.230 nan 0.000 0.440 491 A N -0.813 121.994 122.820 -0.022 0.000 1.968 491 A HA -0.190 4.147 4.320 0.028 0.000 0.217 491 A C 1.933 179.414 177.584 -0.172 0.000 1.169 491 A CA 0.973 52.942 52.037 -0.114 0.000 0.638 491 A CB -0.708 18.177 19.000 -0.191 0.000 0.812 491 A HN 0.497 nan 8.150 nan 0.000 0.446 492 W N -0.185 121.065 121.300 -0.083 0.000 2.409 492 W HA -0.117 4.560 4.660 0.027 0.000 0.299 492 W C 2.656 179.104 176.519 -0.119 0.000 1.203 492 W CA 1.323 58.615 57.345 -0.089 0.000 1.298 492 W CB -0.114 29.313 29.460 -0.056 0.000 1.127 492 W HN 0.465 nan 8.180 nan 0.000 0.528 493 Q N 1.272 121.152 119.800 0.133 0.000 2.014 493 Q HA -0.313 4.043 4.340 0.028 0.000 0.207 493 Q C 2.042 177.851 176.000 -0.317 0.000 0.993 493 Q CA 2.627 58.422 55.803 -0.013 0.000 0.850 493 Q CB -0.466 28.290 28.738 0.030 0.000 0.916 493 Q HN 0.514 nan 8.270 nan 0.000 0.417 494 E N 0.149 120.190 120.200 -0.264 0.000 2.204 494 E HA -0.223 4.144 4.350 0.028 0.000 0.195 494 E C 1.991 178.343 176.600 -0.414 0.000 0.990 494 E CA 1.261 57.428 56.400 -0.387 0.000 0.821 494 E CB -0.267 29.389 29.700 -0.074 0.000 0.750 494 E HN 0.296 nan 8.360 nan 0.000 0.477 495 K N 0.946 121.214 120.400 -0.220 0.000 2.007 495 K HA -0.064 4.273 4.320 0.028 0.000 0.206 495 K C 1.973 178.552 176.600 -0.036 0.000 1.047 495 K CA 1.184 57.414 56.287 -0.095 0.000 0.937 495 K CB 0.092 32.537 32.500 -0.091 0.000 0.718 495 K HN 0.224 nan 8.250 nan 0.000 0.438 496 L N -0.862 120.349 121.223 -0.020 0.000 2.537 496 L HA 0.102 4.459 4.340 0.028 0.000 0.224 496 L C -0.154 176.789 176.870 0.121 0.000 1.065 496 L CA -0.138 54.757 54.840 0.091 0.000 0.860 496 L CB 0.201 42.367 42.059 0.177 0.000 1.086 496 L HN 0.345 nan 8.230 nan 0.000 0.482 497 H N 1.293 120.426 119.070 0.106 0.000 2.677 497 H HA -0.169 4.404 4.556 0.028 0.000 0.321 497 H C -0.045 175.327 175.328 0.073 0.000 1.171 497 H CA 0.552 56.649 56.048 0.081 0.000 1.139 497 H CB -1.502 28.298 29.762 0.062 0.000 1.515 497 H HN 0.528 nan 8.280 nan 0.000 0.423 498 Q N 0.016 119.895 119.800 0.132 0.000 2.359 498 Q HA 0.434 4.791 4.340 0.028 0.000 0.275 498 Q C -2.387 173.662 176.000 0.082 0.000 1.082 498 Q CA -1.999 53.863 55.803 0.099 0.000 0.849 498 Q CB 1.791 30.570 28.738 0.068 0.000 1.377 498 Q HN 0.068 nan 8.270 nan 0.000 0.452 499 P HA 0.070 nan 4.420 nan 0.000 0.268 499 P C -0.955 176.349 177.300 0.006 0.000 1.204 499 P CA 0.524 63.675 63.100 0.085 0.000 0.768 499 P CB 0.386 32.188 31.700 0.170 0.000 0.842 500 I N 4.134 124.687 120.570 -0.029 0.000 2.362 500 I HA 0.395 4.582 4.170 0.028 0.000 0.289 500 I C 0.134 176.142 176.117 -0.183 0.000 0.994 500 I CA -0.582 60.650 61.300 -0.114 0.000 1.158 500 I CB 1.031 38.986 38.000 -0.077 0.000 1.315 500 I HN 0.110 nan 8.210 nan 0.000 0.451 501 I N 6.639 127.051 120.570 -0.265 0.000 2.378 501 I HA 0.312 4.499 4.170 0.028 0.000 0.291 501 I C -0.409 175.530 176.117 -0.297 0.000 0.992 501 I CA -0.755 60.334 61.300 -0.352 0.000 1.154 501 I CB 2.076 39.767 38.000 -0.516 0.000 1.315 501 I HN 0.381 nan 8.210 nan 0.000 0.448 502 I N 5.646 126.038 120.570 -0.297 0.000 2.278 502 I HA 0.030 4.217 4.170 0.028 0.000 0.296 502 I C 1.561 177.637 176.117 -0.068 0.000 1.121 502 I CA 0.315 61.512 61.300 -0.172 0.000 1.267 502 I CB 0.618 38.494 38.000 -0.207 0.000 1.447 502 I HN 0.655 nan 8.210 nan 0.000 0.509 503 T N 1.594 116.096 114.554 -0.088 0.000 2.995 503 T HA 0.081 4.448 4.350 0.028 0.000 0.269 503 T C 0.603 175.358 174.700 0.092 0.000 1.091 503 T CA 0.632 62.703 62.100 -0.049 0.000 1.128 503 T CB -0.127 68.666 68.868 -0.125 0.000 0.891 503 T HN 0.501 nan 8.240 nan 0.000 0.492 504 E N 0.617 120.876 120.200 0.098 0.000 2.260 504 E HA 0.479 4.845 4.350 0.028 0.000 0.266 504 E C -1.825 174.866 176.600 0.151 0.000 0.887 504 E CA -1.029 55.450 56.400 0.132 0.000 0.777 504 E CB 1.939 31.562 29.700 -0.128 0.000 1.205 504 E HN 0.655 nan 8.360 nan 0.000 0.414 505 Y N 0.106 120.449 120.300 0.072 0.000 2.298 505 Y HA 0.721 5.289 4.550 0.031 0.000 0.322 505 Y C -0.487 175.542 175.900 0.215 0.000 1.138 505 Y CA -0.846 57.267 58.100 0.021 0.000 1.127 505 Y CB 1.405 39.920 38.460 0.091 0.000 1.178 505 Y HN 0.562 nan 8.280 nan 0.000 0.428 506 G N 1.474 110.283 108.800 0.015 0.000 2.506 506 G HA2 0.582 4.559 3.960 0.028 0.000 0.292 506 G HA3 0.582 4.559 3.960 0.028 0.000 0.292 506 G C -1.902 172.544 174.900 -0.757 0.000 1.425 506 G CA -0.386 44.561 45.100 -0.255 0.000 0.788 506 G HN 1.424 nan 8.290 nan 0.000 0.490 507 V N -1.965 117.386 119.914 -0.938 0.000 2.841 507 V HA 0.707 4.843 4.120 0.028 0.000 0.310 507 V C -0.760 174.572 176.094 -1.270 0.000 1.090 507 V CA -1.260 60.129 62.300 -1.517 0.000 0.930 507 V CB 1.789 32.713 31.823 -1.499 0.000 1.014 507 V HN 0.632 nan 8.190 nan 0.000 0.425 508 D N 2.310 121.657 120.400 -1.756 0.000 2.493 508 D HA 0.464 5.121 4.640 0.028 0.000 0.240 508 D C 0.009 175.846 176.300 -0.772 0.000 1.142 508 D CA 1.246 54.595 54.000 -1.084 0.000 0.872 508 D CB 0.760 40.853 40.800 -1.178 0.000 1.173 508 D HN 0.884 nan 8.370 nan 0.000 0.467 509 T N 2.626 116.985 114.554 -0.326 0.000 3.031 509 T HA 0.237 4.603 4.350 0.028 0.000 0.305 509 T C -0.165 174.555 174.700 0.033 0.000 0.985 509 T CA -0.676 61.365 62.100 -0.099 0.000 1.008 509 T CB 0.674 69.457 68.868 -0.142 0.000 1.005 509 T HN 0.195 nan 8.240 nan 0.000 0.444 510 L N 3.143 124.465 121.223 0.164 0.000 2.433 510 L HA 0.419 4.776 4.340 0.028 0.000 0.275 510 L C 1.036 177.908 176.870 0.004 0.000 1.128 510 L CA -0.581 54.320 54.840 0.101 0.000 0.875 510 L CB 0.374 42.504 42.059 0.119 0.000 1.171 510 L HN 0.821 nan 8.230 nan 0.000 0.463 511 A N 3.482 126.290 122.820 -0.021 0.000 2.566 511 A HA 0.369 4.705 4.320 0.028 0.000 0.245 511 A C 1.252 178.804 177.584 -0.054 0.000 1.056 511 A CA 0.725 52.734 52.037 -0.046 0.000 0.757 511 A CB -0.146 18.836 19.000 -0.029 0.000 0.979 511 A HN 1.172 nan 8.150 nan 0.000 0.508 512 G N 1.231 109.957 108.800 -0.123 0.000 2.157 512 G HA2 -0.179 3.798 3.960 0.028 0.000 0.239 512 G HA3 -0.179 3.798 3.960 0.028 0.000 0.239 512 G C 0.114 174.904 174.900 -0.183 0.000 0.982 512 G CA 0.184 45.214 45.100 -0.117 0.000 0.650 512 G HN 1.064 nan 8.290 nan 0.000 0.527 513 L N 2.549 123.640 121.223 -0.220 0.000 2.261 513 L HA 0.479 4.836 4.340 0.028 0.000 0.289 513 L C -0.002 176.735 176.870 -0.222 0.000 1.059 513 L CA -0.727 54.044 54.840 -0.115 0.000 0.816 513 L CB 0.295 42.359 42.059 0.009 0.000 1.191 513 L HN 0.193 nan 8.230 nan 0.000 0.431 514 H N 2.769 121.886 119.070 0.079 0.000 2.529 514 H HA 0.552 5.117 4.556 0.015 0.000 0.348 514 H C -0.762 174.619 175.328 0.089 0.000 1.152 514 H CA -0.438 55.657 56.048 0.078 0.000 1.202 514 H CB 2.366 32.159 29.762 0.052 0.000 1.562 514 H HN 0.517 nan 8.280 nan 0.000 0.515 518 T N 2.618 117.320 114.554 0.247 0.000 3.708 518 T HA -0.201 4.166 4.350 0.028 0.000 0.375 518 T C -0.151 174.787 174.700 0.398 0.000 0.763 518 T CA 1.445 63.715 62.100 0.285 0.000 1.915 518 T CB -1.259 67.749 68.868 0.233 0.000 1.783 518 T HN 0.609 nan 8.240 nan 0.000 0.734 522 S N -1.579 114.261 115.700 0.233 0.000 2.568 522 S HA 0.485 4.971 4.470 0.028 0.000 0.293 522 S C 0.696 175.371 174.600 0.124 0.000 1.089 522 S CA -0.722 57.574 58.200 0.159 0.000 0.945 522 S CB 2.572 65.881 63.200 0.181 0.000 1.077 522 S HN 0.170 nan 8.310 nan 0.000 0.485 523 E N 1.105 121.319 120.200 0.024 0.000 2.077 523 E HA -0.195 4.172 4.350 0.028 0.000 0.193 523 E C 1.282 177.934 176.600 0.088 0.000 0.989 523 E CA 1.602 58.011 56.400 0.015 0.000 0.800 523 E CB -0.181 29.488 29.700 -0.051 0.000 0.746 523 E HN 0.753 nan 8.360 nan 0.000 0.452 524 E N 0.310 120.592 120.200 0.137 0.000 2.097 524 E HA -0.219 4.147 4.350 0.028 0.000 0.196 524 E C 1.719 178.424 176.600 0.175 0.000 1.000 524 E CA 1.104 57.598 56.400 0.156 0.000 0.804 524 E CB -0.381 29.423 29.700 0.175 0.000 0.740 524 E HN 0.344 nan 8.360 nan 0.000 0.454 525 Y N 1.218 121.578 120.300 0.100 0.000 2.133 525 Y HA -0.247 4.317 4.550 0.024 0.000 0.287 525 Y C 2.498 178.467 175.900 0.115 0.000 1.134 525 Y CA 2.140 60.315 58.100 0.125 0.000 1.133 525 Y CB -0.292 38.247 38.460 0.131 0.000 0.987 525 Y HN 0.049 nan 8.280 nan 0.000 0.502 526 Q N -0.519 119.344 119.800 0.105 0.000 2.096 526 Q HA -0.281 4.076 4.340 0.028 0.000 0.208 526 Q C 2.324 178.320 176.000 -0.007 0.000 0.993 526 Q CA 2.657 58.446 55.803 -0.025 0.000 0.862 526 Q CB -0.547 28.151 28.738 -0.066 0.000 0.915 526 Q HN 0.634 nan 8.270 nan 0.000 0.416 527 C N -0.026 119.281 119.300 0.013 0.000 2.413 527 C HA -0.137 4.340 4.460 0.028 0.000 0.276 527 C C 2.869 177.867 174.990 0.014 0.000 1.236 527 C CA 0.879 59.910 59.018 0.022 0.000 1.735 527 C CB -1.478 26.288 27.740 0.043 0.000 2.031 527 C HN 0.721 nan 8.230 nan 0.000 0.474 528 A N -1.170 121.645 122.820 -0.008 0.000 1.933 528 A HA -0.232 4.105 4.320 0.028 0.000 0.218 528 A C 1.934 179.480 177.584 -0.063 0.000 1.175 528 A CA 1.532 53.550 52.037 -0.031 0.000 0.628 528 A CB -0.897 18.089 19.000 -0.024 0.000 0.814 528 A HN 0.778 nan 8.150 nan 0.000 0.444 529 W N 0.505 121.594 121.300 -0.352 0.000 2.379 529 W HA -0.115 4.564 4.660 0.032 0.000 0.307 529 W C 1.853 178.271 176.519 -0.169 0.000 1.200 529 W CA 1.904 59.062 57.345 -0.312 0.000 1.297 529 W CB -0.301 28.884 29.460 -0.459 0.000 1.140 529 W HN 0.254 nan 8.180 nan 0.000 0.507 530 L N 0.004 121.264 121.223 0.061 0.000 2.046 530 L HA -0.178 4.178 4.340 0.028 0.000 0.208 530 L C 1.443 178.083 176.870 -0.382 0.000 1.077 530 L CA 1.047 55.805 54.840 -0.136 0.000 0.747 530 L CB -1.199 40.843 42.059 -0.029 0.000 0.896 530 L HN -0.165 nan 8.230 nan 0.000 0.432 534 H N 0.323 119.297 119.070 -0.161 0.000 2.390 534 H HA -0.186 4.386 4.556 0.027 0.000 0.298 534 H C 2.020 177.304 175.328 -0.074 0.000 1.106 534 H CA 1.798 57.904 56.048 0.097 0.000 1.297 534 H CB 0.027 29.866 29.762 0.128 0.000 1.375 534 H HN 0.146 nan 8.280 nan 0.000 0.509 535 R N 0.329 120.792 120.500 -0.063 0.000 2.081 535 R HA -0.111 4.246 4.340 0.028 0.000 0.235 535 R C 2.188 178.388 176.300 -0.166 0.000 1.131 535 R CA 1.098 57.143 56.100 -0.092 0.000 0.960 535 R CB -0.085 30.148 30.300 -0.111 0.000 0.856 535 R HN 0.129 nan 8.270 nan 0.000 0.436 536 V N 0.158 119.857 119.914 -0.360 0.000 2.379 536 V HA -0.199 3.937 4.120 0.028 0.000 0.245 536 V C 1.833 177.783 176.094 -0.239 0.000 1.044 536 V CA 1.556 63.625 62.300 -0.385 0.000 1.036 536 V CB -0.538 30.911 31.823 -0.624 0.000 0.664 536 V HN 0.184 nan 8.190 nan 0.000 0.453 537 F N 0.640 120.548 119.950 -0.070 0.000 2.161 537 F HA -0.153 4.390 4.527 0.026 0.000 0.300 537 F C 2.117 177.929 175.800 0.019 0.000 1.089 537 F CA 1.193 59.193 58.000 0.000 0.000 1.282 537 F CB -1.007 38.035 39.000 0.070 0.000 1.010 537 F HN 0.211 nan 8.300 nan 0.000 0.485 538 D N -0.200 120.291 120.400 0.151 0.000 2.392 538 D HA -0.054 4.603 4.640 0.028 0.000 0.228 538 D C 1.668 177.987 176.300 0.030 0.000 1.003 538 D CA 0.632 54.670 54.000 0.064 0.000 0.917 538 D CB -0.143 40.672 40.800 0.026 0.000 0.890 538 D HN 0.338 nan 8.370 nan 0.000 0.532 539 R N -0.717 119.799 120.500 0.027 0.000 2.531 539 R HA 0.197 4.553 4.340 0.028 0.000 0.316 539 R C -0.446 175.871 176.300 0.028 0.000 0.955 539 R CA -0.016 56.089 56.100 0.008 0.000 1.120 539 R CB 1.840 32.124 30.300 -0.027 0.000 1.361 539 R HN -0.110 nan 8.270 nan 0.000 0.534 540 V N 1.981 121.934 119.914 0.066 0.000 2.326 540 V HA 0.050 4.187 4.120 0.028 0.000 0.281 540 V C 1.204 177.363 176.094 0.109 0.000 1.015 540 V CA -0.230 62.119 62.300 0.082 0.000 0.823 540 V CB 1.516 33.397 31.823 0.096 0.000 1.009 540 V HN 0.246 nan 8.190 nan 0.000 0.436 541 S N 3.754 119.508 115.700 0.091 0.000 2.469 541 S HA -0.117 4.370 4.470 0.028 0.000 0.238 541 S C 1.798 176.468 174.600 0.117 0.000 0.998 541 S CA 1.090 59.349 58.200 0.099 0.000 0.957 541 S CB -0.035 63.214 63.200 0.081 0.000 0.764 541 S HN 0.896 nan 8.310 nan 0.000 0.514 542 A N 1.198 124.084 122.820 0.111 0.000 1.970 542 A HA 0.347 4.683 4.320 0.028 0.000 0.216 542 A C 1.061 178.701 177.584 0.093 0.000 1.170 542 A CA 0.418 52.518 52.037 0.105 0.000 0.645 542 A CB -0.527 18.531 19.000 0.096 0.000 0.816 542 A HN 0.418 nan 8.150 nan 0.000 0.447 543 V N 0.856 120.836 119.914 0.110 0.000 2.421 543 V HA 0.072 4.209 4.120 0.028 0.000 0.271 543 V C 1.242 177.380 176.094 0.073 0.000 1.031 543 V CA 0.600 62.943 62.300 0.071 0.000 1.032 543 V CB 1.016 32.926 31.823 0.145 0.000 1.009 543 V HN 0.222 nan 8.190 nan 0.000 0.477 544 V N 4.552 124.402 119.914 -0.108 0.000 3.528 544 V HA 0.576 4.712 4.120 0.028 0.000 0.294 544 V C 0.821 176.433 176.094 -0.802 0.000 1.404 544 V CA 0.977 63.142 62.300 -0.226 0.000 1.065 544 V CB 0.366 32.222 31.823 0.054 0.000 0.904 544 V HN 0.870 nan 8.190 nan 0.000 0.435 545 G N 0.829 109.190 108.800 -0.732 0.000 2.746 545 G HA2 0.627 4.603 3.960 0.028 0.000 0.297 545 G HA3 0.627 4.603 3.960 0.028 0.000 0.297 545 G C -1.401 173.178 174.900 -0.535 0.000 1.426 545 G CA -0.414 44.315 45.100 -0.617 0.000 0.989 545 G HN 0.357 nan 8.290 nan 0.000 0.520 546 E N 0.966 120.968 120.200 -0.331 0.000 2.263 546 E HA 0.549 4.916 4.350 0.028 0.000 0.268 546 E C -1.342 175.342 176.600 0.141 0.000 0.884 546 E CA -0.849 55.452 56.400 -0.165 0.000 0.766 546 E CB 2.254 31.884 29.700 -0.118 0.000 1.196 546 E HN 0.395 nan 8.360 nan 0.000 0.416 547 Q N 2.120 122.103 119.800 0.304 0.000 2.323 547 Q HA 0.392 4.749 4.340 0.028 0.000 0.271 547 Q C -0.623 175.619 176.000 0.403 0.000 1.048 547 Q CA -0.978 54.977 55.803 0.253 0.000 0.792 547 Q CB 2.958 31.756 28.738 0.101 0.000 1.280 547 Q HN 0.471 nan 8.270 nan 0.000 0.441 548 V N 1.749 121.758 119.914 0.157 0.000 3.264 548 V HA 0.222 4.359 4.120 0.028 0.000 0.304 548 V C 0.476 176.693 176.094 0.207 0.000 1.086 548 V CA -0.412 61.737 62.300 -0.251 0.000 1.090 548 V CB 0.794 32.518 31.823 -0.164 0.000 1.112 548 V HN 0.762 nan 8.190 nan 0.000 0.472 549 W N 0.970 122.241 121.300 -0.048 0.000 1.711 549 W HA 0.142 4.821 4.660 0.032 0.000 0.463 549 W C 0.583 177.238 176.519 0.226 0.000 2.053 549 W CA -0.648 56.773 57.345 0.126 0.000 2.290 549 W CB 0.247 29.826 29.460 0.198 0.000 1.607 549 W HN 0.537 nan 8.180 nan 0.000 0.789 550 N N 1.290 119.518 118.700 -0.787 0.000 2.293 550 N HA -0.181 4.576 4.740 0.028 0.000 0.253 550 N C 0.658 176.082 175.510 -0.144 0.000 1.248 550 N CA 0.447 53.098 53.050 -0.666 0.000 0.845 550 N CB 0.063 38.143 38.487 -0.677 0.000 1.073 550 N HN 0.382 nan 8.380 nan 0.000 0.464 551 F N 3.000 122.766 119.950 -0.306 0.000 2.120 551 F HA -0.068 4.480 4.527 0.036 0.000 0.300 551 F C 0.755 176.403 175.800 -0.253 0.000 1.095 551 F CA 1.526 59.149 58.000 -0.628 0.000 1.249 551 F CB 0.023 38.575 39.000 -0.747 0.000 0.995 551 F HN 0.470 nan 8.300 nan 0.000 0.480 552 A N -0.306 122.446 122.820 -0.113 0.000 2.549 552 A HA 0.411 4.748 4.320 0.028 0.000 0.297 552 A C -1.221 176.394 177.584 0.052 0.000 1.061 552 A CA -0.881 51.102 52.037 -0.091 0.000 0.690 552 A CB 0.430 19.410 19.000 -0.033 0.000 1.287 552 A HN 0.086 nan 8.150 nan 0.000 0.402 553 D N 0.956 121.342 120.400 -0.022 0.000 2.548 553 D HA 0.401 5.058 4.640 0.028 0.000 0.231 553 D C -0.193 176.155 176.300 0.080 0.000 1.142 553 D CA 1.496 55.459 54.000 -0.062 0.000 0.866 553 D CB 0.026 40.769 40.800 -0.095 0.000 1.190 553 D HN 0.466 nan 8.370 nan 0.000 0.469 554 F N -1.351 118.595 119.950 -0.007 0.000 2.692 554 F HA 0.724 5.271 4.527 0.033 0.000 0.320 554 F C -0.814 175.033 175.800 0.078 0.000 1.123 554 F CA -1.619 56.399 58.000 0.031 0.000 0.961 554 F CB 0.758 39.767 39.000 0.016 0.000 1.383 554 F HN 0.262 nan 8.300 nan 0.000 0.483 555 A N 0.959 123.987 122.820 0.346 0.000 2.327 555 A HA 0.717 5.054 4.320 0.028 0.000 0.283 555 A C -0.040 177.759 177.584 0.358 0.000 1.127 555 A CA 0.304 52.473 52.037 0.219 0.000 0.810 555 A CB 0.183 19.280 19.000 0.162 0.000 1.066 555 A HN 1.164 nan 8.150 nan 0.000 0.492 556 T N -0.947 113.745 114.554 0.231 0.000 2.858 556 T HA 0.703 5.070 4.350 0.028 0.000 0.285 556 T C 0.262 175.150 174.700 0.314 0.000 1.052 556 T CA -0.009 62.279 62.100 0.312 0.000 1.009 556 T CB 0.731 69.722 68.868 0.205 0.000 1.241 556 T HN 1.141 nan 8.240 nan 0.000 0.542 557 S N 0.241 116.085 115.700 0.241 0.000 2.589 557 S HA 0.271 4.757 4.470 0.028 0.000 0.265 557 S C 0.105 174.746 174.600 0.068 0.000 1.342 557 S CA -0.854 57.438 58.200 0.154 0.000 1.005 557 S CB -0.192 62.890 63.200 -0.196 0.000 0.909 557 S HN 0.819 nan 8.310 nan 0.000 0.555 558 Q N 0.219 120.047 119.800 0.047 0.000 2.332 558 Q HA 0.536 4.893 4.340 0.028 0.000 0.263 558 Q C 0.312 176.301 176.000 -0.019 0.000 0.979 558 Q CA 0.275 56.089 55.803 0.019 0.000 0.885 558 Q CB 0.857 29.609 28.738 0.023 0.000 1.218 558 Q HN 0.931 nan 8.270 nan 0.000 0.405 559 G N 0.767 109.564 108.800 -0.005 0.000 2.506 559 G HA2 0.249 4.225 3.960 0.028 0.000 0.292 559 G HA3 0.249 4.225 3.960 0.028 0.000 0.292 559 G C -0.051 174.852 174.900 0.005 0.000 1.425 559 G CA -0.835 44.255 45.100 -0.018 0.000 0.788 559 G HN 0.622 nan 8.290 nan 0.000 0.490 560 I N 0.026 120.591 120.570 -0.007 0.000 2.676 560 I HA -0.003 4.183 4.170 0.028 0.000 0.259 560 I C 1.956 178.106 176.117 0.055 0.000 1.194 560 I CA 0.941 62.252 61.300 0.017 0.000 1.473 560 I CB -0.138 37.868 38.000 0.011 0.000 1.096 560 I HN 0.239 nan 8.210 nan 0.000 0.443 561 L N 0.264 121.532 121.223 0.075 0.000 2.567 561 L HA 0.142 4.499 4.340 0.028 0.000 0.225 561 L C 0.597 177.610 176.870 0.239 0.000 1.119 561 L CA 0.167 55.114 54.840 0.178 0.000 0.871 561 L CB -0.190 41.972 42.059 0.172 0.000 1.036 561 L HN 0.075 nan 8.230 nan 0.000 0.459 562 R N 1.131 121.721 120.500 0.150 0.000 2.320 562 R HA 0.343 4.700 4.340 0.028 0.000 0.319 562 R C -0.815 175.546 176.300 0.103 0.000 0.969 562 R CA -0.402 55.779 56.100 0.136 0.000 0.857 562 R CB 1.738 32.088 30.300 0.084 0.000 1.160 562 R HN -0.178 nan 8.270 nan 0.000 0.491 563 V N 2.500 122.499 119.914 0.143 0.000 2.326 563 V HA 0.147 4.284 4.120 0.028 0.000 0.249 563 V C 1.367 177.482 176.094 0.036 0.000 1.114 563 V CA 0.302 62.644 62.300 0.070 0.000 1.028 563 V CB 0.401 32.263 31.823 0.065 0.000 1.170 563 V HN 1.057 nan 8.190 nan 0.000 0.494 564 G N 3.532 112.339 108.800 0.011 0.000 2.258 564 G HA2 0.104 4.080 3.960 0.028 0.000 0.274 564 G HA3 0.104 4.080 3.960 0.028 0.000 0.274 564 G C 0.703 175.591 174.900 -0.020 0.000 1.021 564 G CA 0.345 45.441 45.100 -0.008 0.000 0.798 564 G HN 2.031 nan 8.290 nan 0.000 0.507 565 G N -1.480 107.310 108.800 -0.016 0.000 2.423 565 G HA2 0.208 4.185 3.960 0.028 0.000 0.684 565 G HA3 0.208 4.185 3.960 0.028 0.000 0.684 565 G C -0.461 174.359 174.900 -0.134 0.000 1.309 565 G CA 0.117 45.176 45.100 -0.068 0.000 0.950 565 G HN 1.274 nan 8.290 nan 0.000 0.587 566 N N -0.421 118.062 118.700 -0.361 0.000 2.452 566 N HA 0.412 5.169 4.740 0.028 0.000 0.266 566 N C 0.590 175.846 175.510 -0.424 0.000 1.209 566 N CA -0.039 52.728 53.050 -0.471 0.000 0.929 566 N CB 0.430 38.310 38.487 -1.011 0.000 1.063 566 N HN 0.464 nan 8.380 nan 0.000 0.472 567 K N 2.168 122.437 120.400 -0.218 0.000 2.675 567 K HA 0.167 4.503 4.320 0.028 0.000 0.213 567 K C 0.095 176.546 176.600 -0.249 0.000 1.074 567 K CA 0.032 56.215 56.287 -0.172 0.000 1.172 567 K CB 0.354 32.847 32.500 -0.012 0.000 0.927 567 K HN 0.456 nan 8.250 nan 0.000 0.471 568 K N -0.037 120.192 120.400 -0.285 0.000 2.437 568 K HA 0.129 4.465 4.320 0.028 0.000 0.198 568 K C 0.604 177.058 176.600 -0.242 0.000 1.024 568 K CA -0.131 55.981 56.287 -0.291 0.000 1.148 568 K CB 0.557 32.957 32.500 -0.167 0.000 0.860 568 K HN 0.229 nan 8.250 nan 0.000 0.515 569 G N 1.058 109.731 108.800 -0.213 0.000 2.491 569 G HA2 0.046 4.023 3.960 0.028 0.000 0.242 569 G HA3 0.046 4.023 3.960 0.028 0.000 0.242 569 G C 0.886 175.646 174.900 -0.233 0.000 1.266 569 G CA -0.587 44.398 45.100 -0.193 0.000 0.844 569 G HN -0.004 nan 8.290 nan 0.000 0.571 570 I N 0.391 120.792 120.570 -0.281 0.000 2.500 570 I HA 0.132 4.318 4.170 0.028 0.000 0.252 570 I C 0.502 176.209 176.117 -0.685 0.000 1.142 570 I CA 0.629 61.677 61.300 -0.419 0.000 1.451 570 I CB -0.820 36.974 38.000 -0.343 0.000 1.093 570 I HN 0.213 nan 8.210 nan 0.000 0.430 571 F N 0.739 120.421 119.950 -0.448 0.000 2.507 571 F HA 0.320 4.861 4.527 0.024 0.000 0.327 571 F C 1.318 176.949 175.800 -0.280 0.000 1.068 571 F CA -1.010 56.751 58.000 -0.399 0.000 0.965 571 F CB 0.897 39.535 39.000 -0.603 0.000 1.192 571 F HN -0.169 nan 8.300 nan 0.000 0.476 572 T N -1.513 113.037 114.554 -0.006 0.000 2.667 572 T HA 0.148 4.515 4.350 0.028 0.000 0.305 572 T C 1.372 176.060 174.700 -0.021 0.000 1.022 572 T CA -0.350 61.733 62.100 -0.028 0.000 0.995 572 T CB 0.650 69.507 68.868 -0.018 0.000 1.026 572 T HN 0.718 nan 8.240 nan 0.000 0.527 573 R N 0.351 120.837 120.500 -0.025 0.000 2.092 573 R HA -0.082 4.274 4.340 0.028 0.000 0.231 573 R C 1.327 177.604 176.300 -0.039 0.000 1.119 573 R CA 1.702 57.791 56.100 -0.020 0.000 0.970 573 R CB -0.491 29.799 30.300 -0.016 0.000 0.864 573 R HN 0.896 nan 8.270 nan 0.000 0.440 574 D N -0.337 120.036 120.400 -0.045 0.000 2.325 574 D HA -0.045 4.612 4.640 0.028 0.000 0.234 574 D C -0.173 176.085 176.300 -0.070 0.000 1.122 574 D CA -0.069 53.889 54.000 -0.069 0.000 0.850 574 D CB 0.233 40.993 40.800 -0.066 0.000 0.921 574 D HN 0.001 nan 8.370 nan 0.000 0.513 575 R N -0.842 119.632 120.500 -0.044 0.000 3.872 575 R HA -0.153 4.204 4.340 0.028 0.000 0.341 575 R C -0.645 175.682 176.300 0.044 0.000 1.172 575 R CA 0.428 56.497 56.100 -0.051 0.000 0.901 575 R CB -2.796 27.481 30.300 -0.039 0.000 1.422 575 R HN 0.431 nan 8.270 nan 0.000 0.523 576 K N 2.174 122.616 120.400 0.070 0.000 2.234 576 K HA 0.312 4.649 4.320 0.028 0.000 0.282 576 K C -2.007 174.684 176.600 0.151 0.000 1.039 576 K CA -1.582 54.765 56.287 0.100 0.000 0.928 576 K CB 1.196 33.723 32.500 0.044 0.000 1.039 576 K HN -0.102 nan 8.250 nan 0.000 0.470 577 P HA 0.167 nan 4.420 nan 0.000 0.284 577 P C -1.034 176.184 177.300 -0.136 0.000 1.253 577 P CA -0.421 62.601 63.100 -0.131 0.000 0.800 577 P CB 1.010 32.577 31.700 -0.223 0.000 0.961 578 K N 0.613 120.857 120.400 -0.260 0.000 2.090 578 K HA 0.204 4.541 4.320 0.028 0.000 0.249 578 K C 1.589 178.162 176.600 -0.045 0.000 0.995 578 K CA -0.385 55.832 56.287 -0.117 0.000 0.914 578 K CB 0.472 32.879 32.500 -0.156 0.000 1.057 578 K HN 0.398 nan 8.250 nan 0.000 0.462 579 S N 0.265 116.018 115.700 0.088 0.000 2.462 579 S HA -0.223 4.264 4.470 0.028 0.000 0.243 579 S C 1.819 176.496 174.600 0.128 0.000 1.003 579 S CA 1.234 59.562 58.200 0.215 0.000 0.970 579 S CB -0.417 62.890 63.200 0.179 0.000 0.762 579 S HN 0.646 nan 8.310 nan 0.000 0.510 580 A N 1.477 124.284 122.820 -0.022 0.000 2.014 580 A HA 0.453 4.790 4.320 0.028 0.000 0.218 580 A C 2.485 179.971 177.584 -0.164 0.000 1.163 580 A CA 1.234 53.222 52.037 -0.081 0.000 0.652 580 A CB -1.238 17.689 19.000 -0.122 0.000 0.808 580 A HN 0.848 nan 8.150 nan 0.000 0.449 581 A N -0.618 122.029 122.820 -0.289 0.000 1.902 581 A HA -0.015 4.322 4.320 0.028 0.000 0.217 581 A C 1.854 179.265 177.584 -0.288 0.000 1.181 581 A CA 1.550 53.335 52.037 -0.420 0.000 0.623 581 A CB -0.729 17.821 19.000 -0.750 0.000 0.818 581 A HN 0.486 nan 8.150 nan 0.000 0.443 582 F N -0.432 119.538 119.950 0.033 0.000 2.367 582 F HA -0.015 4.523 4.527 0.018 0.000 0.298 582 F C 2.083 177.841 175.800 -0.069 0.000 1.094 582 F CA 0.698 58.721 58.000 0.040 0.000 1.409 582 F CB -0.326 38.739 39.000 0.107 0.000 1.064 582 F HN 0.190 nan 8.300 nan 0.000 0.528 583 L N 0.533 121.802 121.223 0.077 0.000 1.994 583 L HA -0.198 4.158 4.340 0.028 0.000 0.208 583 L C 2.057 178.820 176.870 -0.178 0.000 1.071 583 L CA 2.078 56.903 54.840 -0.025 0.000 0.745 583 L CB -0.922 41.132 42.059 -0.009 0.000 0.892 583 L HN 0.209 nan 8.230 nan 0.000 0.431 584 L N 0.057 121.096 121.223 -0.307 0.000 2.083 584 L HA -0.253 4.104 4.340 0.028 0.000 0.209 584 L C 2.715 179.289 176.870 -0.493 0.000 1.083 584 L CA 1.482 55.927 54.840 -0.658 0.000 0.752 584 L CB -0.617 40.911 42.059 -0.886 0.000 0.899 584 L HN 0.420 nan 8.230 nan 0.000 0.433 585 Q N 1.272 120.877 119.800 -0.324 0.000 2.029 585 Q HA -0.282 4.074 4.340 0.028 0.000 0.209 585 Q C 1.967 177.847 176.000 -0.200 0.000 0.999 585 Q CA 2.160 57.758 55.803 -0.341 0.000 0.857 585 Q CB -0.258 28.195 28.738 -0.475 0.000 0.926 585 Q HN 0.341 nan 8.270 nan 0.000 0.415 586 K N -0.202 120.113 120.400 -0.141 0.000 2.026 586 K HA -0.171 4.166 4.320 0.028 0.000 0.208 586 K C 2.392 178.929 176.600 -0.106 0.000 1.048 586 K CA 1.541 57.775 56.287 -0.089 0.000 0.929 586 K CB -0.320 32.150 32.500 -0.050 0.000 0.713 586 K HN 0.337 nan 8.250 nan 0.000 0.439 587 R N 0.308 120.693 120.500 -0.191 0.000 2.070 587 R HA -0.161 4.196 4.340 0.028 0.000 0.233 587 R C 1.884 178.142 176.300 -0.070 0.000 1.137 587 R CA 1.589 57.557 56.100 -0.219 0.000 0.945 587 R CB -0.230 29.793 30.300 -0.462 0.000 0.845 587 R HN 0.227 nan 8.270 nan 0.000 0.430 588 W N 1.068 122.271 121.300 -0.161 0.000 2.408 588 W HA -0.042 4.635 4.660 0.029 0.000 0.311 588 W C 2.565 179.015 176.519 -0.115 0.000 1.190 588 W CA 1.864 59.122 57.345 -0.145 0.000 1.321 588 W CB -1.344 28.037 29.460 -0.132 0.000 1.143 588 W HN 0.337 nan 8.180 nan 0.000 0.501 589 T N -1.976 112.652 114.554 0.124 0.000 2.962 589 T HA 0.078 4.445 4.350 0.028 0.000 0.270 589 T C 1.352 176.071 174.700 0.032 0.000 1.088 589 T CA 0.954 63.087 62.100 0.055 0.000 1.127 589 T CB -0.811 68.052 68.868 -0.009 0.000 0.883 589 T HN -0.004 nan 8.240 nan 0.000 0.493 593 F N 2.079 121.989 119.950 -0.067 0.000 2.602 593 F HA 0.312 4.855 4.527 0.027 0.000 0.385 593 F C 1.581 177.295 175.800 -0.144 0.000 1.063 593 F CA 1.379 59.328 58.000 -0.085 0.000 1.233 593 F CB 0.126 39.101 39.000 -0.040 0.000 1.067 593 F HN 0.722 nan 8.300 nan 0.000 0.564 594 G N 4.361 112.588 108.800 -0.955 0.000 2.323 594 G HA2 -0.325 3.651 3.960 0.028 0.000 0.292 594 G HA3 -0.325 3.651 3.960 0.028 0.000 0.292 594 G C -0.236 174.340 174.900 -0.539 0.000 1.040 594 G CA 0.528 44.989 45.100 -1.065 0.000 0.942 594 G HN 0.896 nan 8.290 nan 0.000 0.506 595 E N -0.492 119.489 120.200 -0.365 0.000 2.281 595 E HA 0.405 4.772 4.350 0.028 0.000 0.266 595 E C 0.262 176.691 176.600 -0.285 0.000 0.893 595 E CA -0.988 55.286 56.400 -0.211 0.000 0.798 595 E CB 0.767 30.396 29.700 -0.118 0.000 1.245 595 E HN 0.271 nan 8.360 nan 0.000 0.410 596 K N 4.900 125.120 120.400 -0.298 0.000 2.436 596 K HA 0.192 4.528 4.320 0.028 0.000 0.275 596 K C -2.130 174.302 176.600 -0.281 0.000 0.999 596 K CA -1.079 54.903 56.287 -0.508 0.000 0.980 596 K CB 0.379 32.714 32.500 -0.275 0.000 0.919 596 K HN 0.273 nan 8.250 nan 0.000 0.484 597 P HA -0.098 nan 4.420 nan 0.000 0.270 597 P C -1.030 176.213 177.300 -0.095 0.000 1.227 597 P CA -0.068 62.940 63.100 -0.154 0.000 0.788 597 P CB 0.380 31.997 31.700 -0.139 0.000 0.926 598 Q N 2.670 122.433 119.800 -0.061 0.000 3.026 598 Q HA 0.013 4.369 4.340 0.028 0.000 0.258 598 Q C 0.461 176.445 176.000 -0.027 0.000 1.388 598 Q CA -0.031 55.751 55.803 -0.036 0.000 1.000 598 Q CB -0.230 28.492 28.738 -0.026 0.000 1.634 598 Q HN 0.592 nan 8.270 nan 0.000 0.571 599 Q N 0.163 119.948 119.800 -0.025 0.000 2.755 599 Q HA -0.249 4.107 4.340 0.028 0.000 0.190 599 Q C -0.082 175.905 176.000 -0.020 0.000 2.840 599 Q CA 2.107 57.902 55.803 -0.014 0.000 0.265 599 Q CB -1.584 27.152 28.738 -0.003 0.000 0.240 599 Q HN 0.766 nan 8.270 nan 0.000 0.447 600 G N -1.572 107.212 108.800 -0.026 0.000 3.135 600 G HA2 0.749 4.726 3.960 0.028 0.000 0.278 600 G HA3 0.749 4.726 3.960 0.028 0.000 0.278 600 G C -0.357 174.523 174.900 -0.033 0.000 1.302 600 G CA 0.058 45.143 45.100 -0.025 0.000 0.880 600 G HN 0.907 nan 8.290 nan 0.000 0.574 601 G N 0.000 108.782 108.800 -0.030 0.000 5.446 601 G HA2 0.000 3.977 3.960 0.028 0.000 0.244 601 G HA3 0.000 3.977 3.960 0.028 0.000 0.244 601 G CA 0.000 45.080 45.100 -0.034 0.000 0.502 601 G HN 0.000 nan 8.290 nan 0.000 0.925