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 1p73_1_A DATA FIRST_RESID 22 DATA SEQUENCE MVTIVRIYLD GVYGIGKSTT GRVMASXXXX XSPTLYFPEP MAYWRTLFET DATA SEQUENCE DVISGIYDTQ NRKXXXXXXV DDAALITAHY QSRFTTPYLI LHDHTCTLFG DATA SEQUENCE GNSLQRGTQP DLTLVFDRHP VASTVCFPAA RYLLGDMSMC ALMAMVATLP DATA SEQUENCE REPQGGNIVV TTLNVEEHIR RLRTRARIGE QIDITLIATL RNVYFMLVNT DATA SEQUENCE CHFLRSGRVW RDGWGELPTS CGAYKHRATQ MDAFQERVSP ELGDTLFALF DATA SEQUENCE KTQELLDDRG VILEVHAWAL DALMLKLRNL NVFSADLSGT PRQCAAVVES DATA SEQUENCE LLPLMSSTLS DFDSASALER AARTFNAEMG V 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.347 176.300 0.078 0.000 1.140 22 M CA 0.000 55.344 55.300 0.073 0.000 0.988 22 M CB 0.000 32.631 32.600 0.052 0.000 1.302 23 V N 2.371 122.331 119.914 0.076 0.000 2.427 23 V HA 0.613 4.733 4.120 0.000 0.000 0.286 23 V C 0.439 176.561 176.094 0.047 0.000 1.034 23 V CA -0.394 61.943 62.300 0.061 0.000 0.893 23 V CB 2.041 33.891 31.823 0.045 0.000 0.982 23 V HN 0.849 nan 8.190 nan 0.000 0.452 24 T N 6.732 121.310 114.554 0.039 0.000 2.749 24 T HA 0.584 4.934 4.350 0.000 0.000 0.295 24 T C -0.206 174.509 174.700 0.026 0.000 0.936 24 T CA 0.164 62.283 62.100 0.032 0.000 1.060 24 T CB 0.098 68.982 68.868 0.027 0.000 0.904 24 T HN 0.370 nan 8.240 nan 0.000 0.500 25 I N 3.245 123.832 120.570 0.028 0.000 2.465 25 I HA 0.445 4.615 4.170 0.000 0.000 0.291 25 I C -0.594 175.515 176.117 -0.013 0.000 1.014 25 I CA -1.075 60.236 61.300 0.019 0.000 1.093 25 I CB 2.169 40.202 38.000 0.055 0.000 1.267 25 I HN 0.242 nan 8.210 nan 0.000 0.431 26 V N 6.556 126.452 119.914 -0.030 0.000 2.378 26 V HA 0.411 4.531 4.120 0.000 0.000 0.288 26 V C -0.052 175.984 176.094 -0.097 0.000 1.016 26 V CA -0.667 61.597 62.300 -0.059 0.000 0.840 26 V CB 1.587 33.383 31.823 -0.045 0.000 0.994 26 V HN 0.746 nan 8.190 nan 0.000 0.431 27 R N 5.771 126.161 120.500 -0.183 0.000 2.346 27 R HA 0.807 5.147 4.340 0.000 0.000 0.311 27 R C -0.853 175.299 176.300 -0.246 0.000 0.983 27 R CA -0.571 55.375 56.100 -0.256 0.000 0.880 27 R CB 1.908 31.871 30.300 -0.561 0.000 1.100 27 R HN 0.719 nan 8.270 nan 0.000 0.453 28 I N 1.501 121.964 120.570 -0.178 0.000 2.498 28 I HA 0.388 4.559 4.170 0.000 0.000 0.290 28 I C -1.589 174.470 176.117 -0.097 0.000 1.032 28 I CA -1.282 59.950 61.300 -0.113 0.000 1.073 28 I CB 1.632 39.624 38.000 -0.013 0.000 1.251 28 I HN 0.647 nan 8.210 nan 0.000 0.426 29 Y N 6.902 127.334 120.300 0.220 0.000 2.367 29 Y HA 0.435 4.985 4.550 0.000 0.000 0.342 29 Y C -0.035 175.992 175.900 0.211 0.000 0.979 29 Y CA -0.649 57.605 58.100 0.256 0.000 1.161 29 Y CB 1.158 39.767 38.460 0.248 0.000 1.155 29 Y HN 0.389 nan 8.280 nan 0.000 0.503 30 L N 4.851 126.281 121.223 0.345 0.000 2.281 30 L HA 0.269 4.609 4.340 0.000 0.000 0.285 30 L C -0.466 176.542 176.870 0.229 0.000 1.074 30 L CA 0.308 55.295 54.840 0.244 0.000 0.817 30 L CB 0.637 42.833 42.059 0.228 0.000 1.168 30 L HN 0.749 nan 8.230 nan 0.000 0.434 31 D N 1.543 122.023 120.400 0.133 0.000 2.652 31 D HA 0.818 5.458 4.640 0.000 0.000 0.285 31 D C -0.289 175.872 176.300 -0.233 0.000 1.173 31 D CA 0.269 54.298 54.000 0.049 0.000 0.981 31 D CB 2.741 43.635 40.800 0.157 0.000 1.440 31 D HN 0.642 nan 8.370 nan 0.000 0.485 32 G N -0.753 107.650 108.800 -0.663 0.000 2.357 32 G HA2 0.133 4.093 3.960 0.000 0.000 0.289 32 G HA3 0.133 4.093 3.960 0.000 0.000 0.289 32 G C -1.164 173.165 174.900 -0.952 0.000 1.302 32 G CA -0.370 43.989 45.100 -1.235 0.000 0.936 32 G HN 0.407 nan 8.290 nan 0.000 0.513 33 V N 1.117 120.638 119.914 -0.654 0.000 2.811 33 V HA 0.435 4.555 4.120 0.000 0.000 0.302 33 V C 0.902 176.950 176.094 -0.077 0.000 1.063 33 V CA 0.157 62.312 62.300 -0.242 0.000 1.088 33 V CB 0.457 32.155 31.823 -0.208 0.000 0.982 33 V HN 1.035 nan 8.190 nan 0.000 0.485 34 Y N 1.204 121.588 120.300 0.139 0.000 2.385 34 Y HA 0.513 5.063 4.550 0.000 0.000 0.346 34 Y C 1.213 177.238 175.900 0.209 0.000 1.270 34 Y CA -0.519 57.687 58.100 0.176 0.000 1.472 34 Y CB -0.071 38.532 38.460 0.237 0.000 1.354 34 Y HN 0.955 nan 8.280 nan 0.000 0.611 35 G N 1.559 110.588 108.800 0.381 0.000 2.143 35 G HA2 -0.281 3.679 3.960 0.000 0.000 0.248 35 G HA3 -0.281 3.679 3.960 0.000 0.000 0.248 35 G C 0.391 175.388 174.900 0.162 0.000 0.991 35 G CA 0.535 45.823 45.100 0.313 0.000 0.689 35 G HN 0.772 nan 8.290 nan 0.000 0.522 36 I N -0.563 119.983 120.570 -0.041 0.000 2.927 36 I HA 0.359 4.529 4.170 0.000 0.000 0.268 36 I C 1.981 178.074 176.117 -0.040 0.000 1.153 36 I CA 1.223 62.421 61.300 -0.170 0.000 1.459 36 I CB 0.350 38.141 38.000 -0.348 0.000 1.149 36 I HN 0.813 nan 8.210 nan 0.000 0.443 37 G N 1.893 110.699 108.800 0.010 0.000 2.165 37 G HA2 -0.168 3.792 3.960 0.000 0.000 0.144 37 G HA3 -0.168 3.792 3.960 0.000 0.000 0.144 37 G C 0.974 175.895 174.900 0.035 0.000 1.049 37 G CA 0.240 45.359 45.100 0.032 0.000 0.741 37 G HN 0.325 nan 8.290 nan 0.000 0.493 38 K N 0.214 120.646 120.400 0.054 0.000 2.057 38 K HA -0.019 4.302 4.320 0.000 0.000 0.207 38 K C 2.114 178.785 176.600 0.118 0.000 1.049 38 K CA 1.920 58.256 56.287 0.081 0.000 0.931 38 K CB -0.437 32.123 32.500 0.099 0.000 0.714 38 K HN 0.197 nan 8.250 nan 0.000 0.440 39 S N 0.985 116.776 115.700 0.152 0.000 2.368 39 S HA -0.108 4.362 4.470 0.000 0.000 0.225 39 S C 1.979 176.586 174.600 0.013 0.000 1.030 39 S CA 1.857 60.161 58.200 0.174 0.000 0.999 39 S CB -0.486 62.843 63.200 0.215 0.000 0.844 39 S HN 0.483 nan 8.310 nan 0.000 0.459 40 T N 2.177 116.738 114.554 0.013 0.000 2.674 40 T HA -0.110 4.241 4.350 0.000 0.000 0.265 40 T C 2.108 176.762 174.700 -0.076 0.000 1.039 40 T CA 1.838 63.919 62.100 -0.032 0.000 1.150 40 T CB -0.830 68.037 68.868 -0.000 0.000 0.864 40 T HN 0.447 nan 8.240 nan 0.000 0.427 41 T N 1.174 115.702 114.554 -0.044 0.000 2.684 41 T HA -0.090 4.260 4.350 0.000 0.000 0.267 41 T C 2.204 176.845 174.700 -0.100 0.000 1.036 41 T CA 1.400 63.471 62.100 -0.049 0.000 1.148 41 T CB -0.955 67.907 68.868 -0.011 0.000 0.863 41 T HN 0.524 nan 8.240 nan 0.000 0.436 42 G N 1.488 110.209 108.800 -0.131 0.000 2.459 42 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 42 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 42 G C 1.693 176.215 174.900 -0.630 0.000 1.183 42 G CA 0.437 45.376 45.100 -0.268 0.000 0.776 42 G HN 0.416 nan 8.290 nan 0.000 0.552 43 R N -0.273 119.771 120.500 -0.761 0.000 2.127 43 R HA -0.043 4.297 4.340 0.000 0.000 0.238 43 R C 2.571 178.700 176.300 -0.285 0.000 1.134 43 R CA 1.163 56.908 56.100 -0.591 0.000 0.975 43 R CB -0.434 29.655 30.300 -0.352 0.000 0.865 43 R HN 0.347 nan 8.270 nan 0.000 0.447 44 V N 0.851 120.645 119.914 -0.200 0.000 2.591 44 V HA -0.163 3.957 4.120 0.000 0.000 0.249 44 V C 2.216 178.252 176.094 -0.097 0.000 1.053 44 V CA 1.366 63.597 62.300 -0.115 0.000 1.068 44 V CB -0.284 31.491 31.823 -0.079 0.000 0.689 44 V HN 0.293 nan 8.190 nan 0.000 0.462 45 M N 0.101 119.637 119.600 -0.108 0.000 2.175 45 M HA -0.094 4.386 4.480 0.000 0.000 0.264 45 M C 2.079 178.345 176.300 -0.056 0.000 1.063 45 M CA 1.950 57.211 55.300 -0.066 0.000 1.119 45 M CB -0.376 32.196 32.600 -0.046 0.000 1.377 45 M HN 0.369 nan 8.290 nan 0.000 0.415 46 A N -0.515 122.258 122.820 -0.078 0.000 2.238 46 A HA 0.230 4.550 4.320 0.000 0.000 0.208 46 A C 0.621 178.176 177.584 -0.050 0.000 1.177 46 A CA 0.383 52.391 52.037 -0.048 0.000 0.804 46 A CB -0.100 18.885 19.000 -0.024 0.000 0.823 46 A HN 0.453 nan 8.150 nan 0.000 0.482 54 P HA 0.380 nan 4.420 nan 0.000 0.265 54 P C -0.672 176.621 177.300 -0.011 0.000 1.193 54 P CA 0.257 63.352 63.100 -0.009 0.000 0.765 54 P CB 0.507 32.202 31.700 -0.008 0.000 0.823 55 T N 3.311 117.856 114.554 -0.014 0.000 2.879 55 T HA 0.457 4.808 4.350 0.000 0.000 0.290 55 T C 0.077 174.770 174.700 -0.013 0.000 0.993 55 T CA -0.496 61.598 62.100 -0.009 0.000 0.975 55 T CB 0.847 69.712 68.868 -0.006 0.000 0.981 55 T HN 0.177 nan 8.240 nan 0.000 0.439 56 L N 3.033 124.244 121.223 -0.019 0.000 2.343 56 L HA 0.599 4.939 4.340 0.000 0.000 0.275 56 L C -0.866 175.994 176.870 -0.017 0.000 1.056 56 L CA -1.047 53.752 54.840 -0.069 0.000 0.804 56 L CB 0.870 42.849 42.059 -0.133 0.000 1.203 56 L HN 0.647 nan 8.230 nan 0.000 0.440 57 Y N 2.591 122.761 120.300 -0.217 0.000 2.338 57 Y HA 0.495 5.045 4.550 0.000 0.000 0.333 57 Y C -1.294 174.478 175.900 -0.214 0.000 0.968 57 Y CA -1.089 56.932 58.100 -0.132 0.000 1.123 57 Y CB 1.009 39.434 38.460 -0.058 0.000 1.165 57 Y HN 0.274 nan 8.280 nan 0.000 0.452 58 F N 8.769 128.318 119.950 -0.668 0.000 2.371 58 F HA 0.457 4.984 4.527 0.000 0.000 0.363 58 F C -2.002 173.349 175.800 -0.748 0.000 1.122 58 F CA -2.330 55.363 58.000 -0.510 0.000 1.129 58 F CB 0.728 39.447 39.000 -0.469 0.000 1.173 58 F HN 0.393 nan 8.300 nan 0.000 0.489 59 P HA 0.100 nan 4.420 nan 0.000 0.277 59 P C -0.372 176.954 177.300 0.045 0.000 1.271 59 P CA -0.474 62.421 63.100 -0.343 0.000 0.795 59 P CB 0.868 32.508 31.700 -0.100 0.000 1.101 60 E N 0.441 120.683 120.200 0.069 0.000 2.418 60 E HA 0.041 4.391 4.350 0.000 0.000 0.261 60 E C -1.702 174.690 176.600 -0.347 0.000 1.070 60 E CA -1.290 55.097 56.400 -0.021 0.000 0.931 60 E CB -0.105 29.661 29.700 0.110 0.000 0.954 60 E HN 0.304 nan 8.360 nan 0.000 0.439 61 P HA 0.030 nan 4.420 nan 0.000 0.220 61 P C 0.216 176.957 177.300 -0.932 0.000 1.778 61 P CA 0.047 62.617 63.100 -0.883 0.000 0.912 61 P CB 0.065 31.186 31.700 -0.965 0.000 1.861 62 M N 1.601 120.875 119.600 -0.543 0.000 2.073 62 M HA -0.216 4.264 4.480 0.000 0.000 0.258 62 M C 1.996 178.225 176.300 -0.119 0.000 1.070 62 M CA 2.179 57.367 55.300 -0.186 0.000 1.103 62 M CB -1.248 31.332 32.600 -0.033 0.000 1.321 62 M HN 0.160 nan 8.290 nan 0.000 0.405 63 A N -1.494 121.216 122.820 -0.184 0.000 1.892 63 A HA -0.266 4.054 4.320 0.000 0.000 0.218 63 A C 2.203 179.712 177.584 -0.125 0.000 1.188 63 A CA 2.032 53.979 52.037 -0.151 0.000 0.631 63 A CB -1.509 17.372 19.000 -0.199 0.000 0.822 63 A HN 0.677 nan 8.150 nan 0.000 0.447 64 Y N -1.013 119.122 120.300 -0.275 0.000 2.114 64 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 64 Y C 2.272 178.206 175.900 0.056 0.000 1.165 64 Y CA 2.201 60.204 58.100 -0.163 0.000 1.148 64 Y CB -0.161 38.143 38.460 -0.261 0.000 0.972 64 Y HN 0.501 nan 8.280 nan 0.000 0.504 65 W N -0.154 121.226 121.300 0.133 0.000 2.418 65 W HA -0.016 4.644 4.660 0.000 0.000 0.292 65 W C 2.197 178.673 176.519 -0.071 0.000 1.213 65 W CA 1.169 58.504 57.345 -0.018 0.000 1.283 65 W CB -0.565 28.814 29.460 -0.135 0.000 1.119 65 W HN 0.130 nan 8.180 nan 0.000 0.542 66 R N -2.428 118.172 120.500 0.167 0.000 2.310 66 R HA 0.136 4.476 4.340 0.000 0.000 0.199 66 R C 1.850 178.157 176.300 0.011 0.000 0.891 66 R CA 0.967 57.108 56.100 0.067 0.000 1.060 66 R CB -0.079 30.260 30.300 0.064 0.000 1.188 66 R HN -0.111 nan 8.270 nan 0.000 0.607 67 T N 0.719 115.252 114.554 -0.035 0.000 3.056 67 T HA 0.242 4.592 4.350 0.000 0.000 0.243 67 T C 1.559 176.156 174.700 -0.172 0.000 0.995 67 T CA 0.123 62.169 62.100 -0.089 0.000 1.091 67 T CB 0.416 69.224 68.868 -0.100 0.000 0.990 67 T HN -0.028 nan 8.240 nan 0.000 0.464 68 L N 0.166 121.204 121.223 -0.308 0.000 2.478 68 L HA 0.264 4.604 4.340 0.000 0.000 0.223 68 L C -0.177 176.218 176.870 -0.790 0.000 1.140 68 L CA 0.674 55.145 54.840 -0.615 0.000 0.842 68 L CB -0.069 41.433 42.059 -0.929 0.000 0.953 68 L HN 0.163 nan 8.230 nan 0.000 0.452 69 F N -1.639 118.227 119.950 -0.140 0.000 2.620 69 F HA 0.374 4.901 4.527 0.000 0.000 0.320 69 F C 1.380 177.150 175.800 -0.051 0.000 1.069 69 F CA -0.615 57.327 58.000 -0.097 0.000 0.953 69 F CB 0.873 39.810 39.000 -0.104 0.000 1.322 69 F HN -0.277 nan 8.300 nan 0.000 0.479 70 E N -0.441 119.873 120.200 0.189 0.000 2.160 70 E HA -0.056 4.294 4.350 0.000 0.000 0.195 70 E C 0.731 177.385 176.600 0.090 0.000 0.991 70 E CA 1.828 58.288 56.400 0.101 0.000 0.810 70 E CB -0.871 28.879 29.700 0.084 0.000 0.742 70 E HN 0.495 nan 8.360 nan 0.000 0.466 71 T N 0.658 115.283 114.554 0.118 0.000 2.922 71 T HA 0.389 4.739 4.350 0.000 0.000 0.285 71 T C -0.603 174.132 174.700 0.058 0.000 1.005 71 T CA -0.349 61.811 62.100 0.100 0.000 1.061 71 T CB 1.350 70.318 68.868 0.167 0.000 1.007 71 T HN 0.298 nan 8.240 nan 0.000 0.502 72 D N 2.214 122.607 120.400 -0.012 0.000 2.427 72 D HA 0.173 4.813 4.640 0.000 0.000 0.226 72 D C 1.395 177.554 176.300 -0.235 0.000 1.076 72 D CA -0.533 53.424 54.000 -0.072 0.000 0.849 72 D CB 1.495 42.261 40.800 -0.056 0.000 1.052 72 D HN 0.338 nan 8.370 nan 0.000 0.515 73 V N 3.184 122.913 119.914 -0.307 0.000 2.626 73 V HA -0.135 3.985 4.120 0.000 0.000 0.252 73 V C 1.898 177.627 176.094 -0.609 0.000 1.067 73 V CA 1.067 62.987 62.300 -0.634 0.000 1.081 73 V CB -0.536 30.828 31.823 -0.766 0.000 0.686 73 V HN 0.537 nan 8.190 nan 0.000 0.468 74 I N 0.808 121.151 120.570 -0.377 0.000 2.333 74 I HA -0.116 4.054 4.170 0.000 0.000 0.246 74 I C 2.786 178.811 176.117 -0.153 0.000 1.106 74 I CA 1.597 62.795 61.300 -0.170 0.000 1.411 74 I CB -0.409 37.549 38.000 -0.071 0.000 1.082 74 I HN 0.256 nan 8.210 nan 0.000 0.420 75 S N 0.814 116.420 115.700 -0.157 0.000 2.348 75 S HA -0.148 4.322 4.470 0.000 0.000 0.221 75 S C 2.177 176.667 174.600 -0.185 0.000 1.033 75 S CA 1.454 59.579 58.200 -0.125 0.000 1.010 75 S CB -0.983 62.165 63.200 -0.087 0.000 0.891 75 S HN 0.624 nan 8.310 nan 0.000 0.442 76 G N 1.742 110.322 108.800 -0.366 0.000 2.586 76 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 76 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 76 G C 1.391 176.063 174.900 -0.381 0.000 1.216 76 G CA 1.133 45.884 45.100 -0.582 0.000 0.786 76 G HN 0.481 nan 8.290 nan 0.000 0.583 77 I N 0.300 120.623 120.570 -0.412 0.000 2.335 77 I HA -0.124 4.046 4.170 0.000 0.000 0.251 77 I C 2.920 179.044 176.117 0.011 0.000 1.129 77 I CA 2.127 63.407 61.300 -0.034 0.000 1.402 77 I CB -0.106 37.940 38.000 0.077 0.000 1.069 77 I HN 0.383 nan 8.210 nan 0.000 0.424 78 Y N -0.318 119.962 120.300 -0.034 0.000 2.176 78 Y HA -0.163 4.387 4.550 0.000 0.000 0.291 78 Y C 2.479 178.384 175.900 0.010 0.000 1.122 78 Y CA 1.953 60.050 58.100 -0.006 0.000 1.128 78 Y CB -1.743 36.705 38.460 -0.020 0.000 1.005 78 Y HN 0.432 nan 8.280 nan 0.000 0.509 79 D N -0.385 120.013 120.400 -0.004 0.000 2.178 79 D HA -0.088 4.552 4.640 0.000 0.000 0.201 79 D C 2.005 178.338 176.300 0.055 0.000 0.980 79 D CA 2.606 56.619 54.000 0.021 0.000 0.842 79 D CB -1.528 39.279 40.800 0.013 0.000 0.948 79 D HN 0.749 nan 8.370 nan 0.000 0.472 80 T N -0.726 113.881 114.554 0.088 0.000 2.962 80 T HA -0.072 4.278 4.350 0.000 0.000 0.270 80 T C 1.711 176.463 174.700 0.087 0.000 1.088 80 T CA 1.177 63.352 62.100 0.125 0.000 1.127 80 T CB -0.226 68.773 68.868 0.217 0.000 0.883 80 T HN 0.328 nan 8.240 nan 0.000 0.493 81 Q N 2.375 122.216 119.800 0.068 0.000 2.292 81 Q HA 0.038 4.378 4.340 0.000 0.000 0.247 81 Q C 0.499 176.524 176.000 0.042 0.000 0.911 81 Q CA 0.012 55.847 55.803 0.053 0.000 0.948 81 Q CB -0.333 28.435 28.738 0.049 0.000 1.093 81 Q HN 0.888 nan 8.270 nan 0.000 0.428 82 N N -0.433 118.293 118.700 0.043 0.000 2.313 82 N HA -0.071 4.669 4.740 0.000 0.000 0.207 82 N C 1.006 176.535 175.510 0.032 0.000 1.141 82 N CA -0.070 53.000 53.050 0.034 0.000 0.830 82 N CB 0.030 38.538 38.487 0.034 0.000 1.008 82 N HN 0.234 nan 8.380 nan 0.000 0.481 83 R N -1.766 118.754 120.500 0.034 0.000 2.246 83 R HA 0.233 4.574 4.340 0.000 0.000 0.199 83 R C 1.100 177.414 176.300 0.024 0.000 0.984 83 R CA 0.542 56.660 56.100 0.029 0.000 1.015 83 R CB -0.411 29.908 30.300 0.032 0.000 0.930 83 R HN 0.170 nan 8.270 nan 0.000 0.475 92 D N -1.348 119.064 120.400 0.019 0.000 1.979 92 D HA 0.111 4.751 4.640 0.000 0.000 0.399 92 D C 1.060 177.371 176.300 0.018 0.000 1.016 92 D CA 1.102 55.112 54.000 0.018 0.000 0.928 92 D CB 0.196 41.004 40.800 0.014 0.000 1.739 92 D HN 0.356 nan 8.370 nan 0.000 0.537 93 D N -0.262 120.148 120.400 0.017 0.000 2.277 93 D HA 0.355 4.995 4.640 0.000 0.000 0.209 93 D C 2.417 178.730 176.300 0.021 0.000 0.970 93 D CA 1.255 55.263 54.000 0.013 0.000 0.874 93 D CB 0.379 41.184 40.800 0.009 0.000 0.982 93 D HN 0.454 nan 8.370 nan 0.000 0.504 94 A N 1.001 123.841 122.820 0.032 0.000 1.908 94 A HA -0.136 4.184 4.320 0.000 0.000 0.218 94 A C 2.269 179.886 177.584 0.055 0.000 1.181 94 A CA 2.010 54.077 52.037 0.049 0.000 0.627 94 A CB -0.951 18.080 19.000 0.051 0.000 0.818 94 A HN 0.240 nan 8.150 nan 0.000 0.445 95 A N -0.741 122.106 122.820 0.045 0.000 2.076 95 A HA -0.033 4.287 4.320 0.000 0.000 0.220 95 A C 2.038 179.651 177.584 0.048 0.000 1.160 95 A CA 1.544 53.610 52.037 0.048 0.000 0.653 95 A CB -0.404 18.620 19.000 0.040 0.000 0.801 95 A HN 0.482 nan 8.150 nan 0.000 0.455 96 L N -1.490 119.753 121.223 0.034 0.000 2.298 96 L HA 0.098 4.438 4.340 0.000 0.000 0.209 96 L C 2.256 179.137 176.870 0.018 0.000 1.084 96 L CA 0.673 55.527 54.840 0.023 0.000 0.816 96 L CB -0.413 41.647 42.059 0.002 0.000 0.967 96 L HN 0.354 nan 8.230 nan 0.000 0.460 97 I N -0.119 120.458 120.570 0.012 0.000 2.406 97 I HA -0.221 3.949 4.170 0.000 0.000 0.249 97 I C 2.686 178.821 176.117 0.030 0.000 1.122 97 I CA 1.337 62.618 61.300 -0.032 0.000 1.431 97 I CB -0.111 37.876 38.000 -0.022 0.000 1.087 97 I HN 0.226 nan 8.210 nan 0.000 0.424 98 T N 0.262 114.895 114.554 0.132 0.000 2.915 98 T HA -0.099 4.251 4.350 0.000 0.000 0.269 98 T C 1.853 176.657 174.700 0.173 0.000 1.071 98 T CA 1.424 63.651 62.100 0.212 0.000 1.132 98 T CB -0.052 68.912 68.868 0.160 0.000 0.878 98 T HN 0.367 nan 8.240 nan 0.000 0.479 99 A N -0.055 122.833 122.820 0.114 0.000 1.970 99 A HA 0.032 4.352 4.320 0.000 0.000 0.216 99 A C 2.074 179.721 177.584 0.105 0.000 1.170 99 A CA 1.832 53.929 52.037 0.101 0.000 0.645 99 A CB -0.988 18.059 19.000 0.078 0.000 0.816 99 A HN 0.787 nan 8.150 nan 0.000 0.447 100 H N -1.859 117.196 119.070 -0.024 0.000 2.363 100 H HA -0.088 4.468 4.556 0.000 0.000 0.301 100 H C 1.668 176.989 175.328 -0.013 0.000 1.074 100 H CA 1.902 57.905 56.048 -0.074 0.000 1.354 100 H CB -0.407 29.232 29.762 -0.205 0.000 1.397 100 H HN 0.584 nan 8.280 nan 0.000 0.516 101 Y N -0.230 120.020 120.300 -0.082 0.000 2.181 101 Y HA -0.251 4.299 4.550 0.000 0.000 0.288 101 Y C 2.740 178.670 175.900 0.050 0.000 1.146 101 Y CA 0.771 58.809 58.100 -0.102 0.000 1.164 101 Y CB 0.019 38.496 38.460 0.029 0.000 0.982 101 Y HN 0.280 nan 8.280 nan 0.000 0.515 102 Q N 0.481 120.459 119.800 0.295 0.000 2.077 102 Q HA -0.196 4.144 4.340 0.000 0.000 0.206 102 Q C 2.247 178.361 176.000 0.190 0.000 0.989 102 Q CA 2.218 58.173 55.803 0.253 0.000 0.853 102 Q CB -0.535 28.278 28.738 0.126 0.000 0.907 102 Q HN 0.313 nan 8.270 nan 0.000 0.418 103 S N -0.018 115.726 115.700 0.074 0.000 2.374 103 S HA -0.169 4.301 4.470 0.000 0.000 0.227 103 S C 1.782 176.415 174.600 0.054 0.000 1.037 103 S CA 1.375 59.599 58.200 0.040 0.000 1.024 103 S CB -0.231 62.958 63.200 -0.018 0.000 0.861 103 S HN 0.397 nan 8.310 nan 0.000 0.456 104 R N -0.341 120.148 120.500 -0.017 0.000 2.148 104 R HA 0.057 4.397 4.340 0.000 0.000 0.223 104 R C 1.831 178.205 176.300 0.123 0.000 1.088 104 R CA 0.823 56.931 56.100 0.012 0.000 0.985 104 R CB -0.389 29.867 30.300 -0.073 0.000 0.880 104 R HN 0.399 nan 8.270 nan 0.000 0.451 105 F N 0.403 120.371 119.950 0.031 0.000 2.171 105 F HA -0.184 4.343 4.527 0.000 0.000 0.300 105 F C 2.522 178.591 175.800 0.449 0.000 1.090 105 F CA 1.416 59.430 58.000 0.024 0.000 1.293 105 F CB -0.166 38.666 39.000 -0.281 0.000 1.013 105 F HN -0.044 nan 8.300 nan 0.000 0.486 106 T N -1.106 113.711 114.554 0.439 0.000 2.812 106 T HA -0.135 4.215 4.350 0.000 0.000 0.264 106 T C 1.936 176.794 174.700 0.264 0.000 1.042 106 T CA 1.732 64.046 62.100 0.357 0.000 1.140 106 T CB -0.453 68.531 68.868 0.193 0.000 0.870 106 T HN 0.231 nan 8.240 nan 0.000 0.445 107 T N 2.932 117.585 114.554 0.164 0.000 2.564 107 T HA -0.159 4.191 4.350 0.000 0.000 0.264 107 T C -0.509 174.096 174.700 -0.157 0.000 1.100 107 T CA 1.961 64.078 62.100 0.029 0.000 1.171 107 T CB -1.586 67.325 68.868 0.072 0.000 0.863 107 T HN 0.416 nan 8.240 nan 0.000 0.430 108 P HA -0.084 nan 4.420 nan 0.000 0.222 108 P C 0.830 177.953 177.300 -0.295 0.000 1.147 108 P CA 1.241 63.962 63.100 -0.632 0.000 0.790 108 P CB -0.203 30.924 31.700 -0.954 0.000 0.780 109 Y N 0.344 120.626 120.300 -0.030 0.000 2.184 109 Y HA -0.078 4.472 4.550 0.000 0.000 0.290 109 Y C 2.665 178.541 175.900 -0.039 0.000 1.129 109 Y CA 1.076 59.174 58.100 -0.003 0.000 1.144 109 Y CB -1.416 37.073 38.460 0.049 0.000 0.995 109 Y HN -0.212 nan 8.280 nan 0.000 0.513 110 L N -0.768 120.520 121.223 0.108 0.000 2.083 110 L HA -0.230 4.110 4.340 0.000 0.000 0.209 110 L C 2.111 179.008 176.870 0.045 0.000 1.083 110 L CA 1.304 56.173 54.840 0.049 0.000 0.752 110 L CB -0.718 41.360 42.059 0.032 0.000 0.899 110 L HN 0.220 nan 8.230 nan 0.000 0.433 111 I N -0.551 120.022 120.570 0.005 0.000 2.202 111 I HA -0.282 3.888 4.170 0.000 0.000 0.242 111 I C 2.473 178.592 176.117 0.003 0.000 1.091 111 I CA 0.992 62.295 61.300 0.005 0.000 1.368 111 I CB -0.243 37.746 38.000 -0.018 0.000 1.058 111 I HN 0.169 nan 8.210 nan 0.000 0.410 112 L N 0.198 121.390 121.223 -0.052 0.000 2.046 112 L HA -0.272 4.068 4.340 0.000 0.000 0.208 112 L C 2.642 179.477 176.870 -0.059 0.000 1.077 112 L CA 1.983 56.748 54.840 -0.125 0.000 0.747 112 L CB -0.971 40.889 42.059 -0.331 0.000 0.896 112 L HN 0.295 nan 8.230 nan 0.000 0.432 113 H N -0.531 118.470 119.070 -0.114 0.000 2.319 113 H HA -0.172 4.384 4.556 0.000 0.000 0.299 113 H C 1.617 176.885 175.328 -0.099 0.000 1.092 113 H CA 2.015 57.984 56.048 -0.131 0.000 1.302 113 H CB 0.166 29.842 29.762 -0.143 0.000 1.373 113 H HN 0.418 nan 8.280 nan 0.000 0.497 114 D N -0.891 119.547 120.400 0.064 0.000 2.178 114 D HA -0.136 4.505 4.640 0.000 0.000 0.201 114 D C 2.115 178.393 176.300 -0.037 0.000 0.980 114 D CA 1.136 55.148 54.000 0.019 0.000 0.842 114 D CB -0.304 40.525 40.800 0.048 0.000 0.948 114 D HN 0.560 nan 8.370 nan 0.000 0.472 115 H N 0.083 119.079 119.070 -0.124 0.000 2.343 115 H HA -0.049 4.507 4.556 0.000 0.000 0.303 115 H C 2.016 177.198 175.328 -0.243 0.000 1.068 115 H CA 2.577 58.544 56.048 -0.136 0.000 1.359 115 H CB -0.091 29.618 29.762 -0.089 0.000 1.402 115 H HN 0.092 nan 8.280 nan 0.000 0.515 116 T N -2.539 111.780 114.554 -0.392 0.000 2.942 116 T HA -0.113 4.237 4.350 0.000 0.000 0.265 116 T C 2.309 176.245 174.700 -1.273 0.000 1.062 116 T CA 0.926 62.597 62.100 -0.716 0.000 1.139 116 T CB -1.146 67.478 68.868 -0.407 0.000 0.883 116 T HN 0.416 nan 8.240 nan 0.000 0.468 117 C N 2.882 121.667 119.300 -0.858 0.000 2.410 117 C HA -0.056 4.404 4.460 0.000 0.000 0.281 117 C C 3.216 177.915 174.990 -0.485 0.000 1.318 117 C CA 1.336 59.959 59.018 -0.658 0.000 1.776 117 C CB -1.594 25.949 27.740 -0.328 0.000 1.942 117 C HN 0.847 nan 8.230 nan 0.000 0.508 118 T N 0.077 114.367 114.554 -0.439 0.000 2.746 118 T HA -0.088 4.262 4.350 0.000 0.000 0.267 118 T C 1.422 175.937 174.700 -0.309 0.000 1.039 118 T CA 1.308 63.231 62.100 -0.295 0.000 1.142 118 T CB -0.432 68.285 68.868 -0.251 0.000 0.866 118 T HN 0.518 nan 8.240 nan 0.000 0.444 119 L N -0.859 120.078 121.223 -0.475 0.000 2.446 119 L HA 0.322 4.663 4.340 0.000 0.000 0.219 119 L C 2.238 178.998 176.870 -0.183 0.000 1.116 119 L CA 0.306 54.945 54.840 -0.335 0.000 0.844 119 L CB -0.638 41.214 42.059 -0.346 0.000 0.970 119 L HN 0.164 nan 8.230 nan 0.000 0.457 120 F N 1.012 120.923 119.950 -0.065 0.000 2.234 120 F HA 0.090 4.617 4.527 0.000 0.000 0.299 120 F C 1.715 177.502 175.800 -0.021 0.000 1.087 120 F CA 0.433 58.410 58.000 -0.037 0.000 1.340 120 F CB -0.404 38.573 39.000 -0.038 0.000 1.031 120 F HN 0.213 nan 8.300 nan 0.000 0.500 121 G N -0.138 108.743 108.800 0.135 0.000 2.756 121 G HA2 0.121 4.081 3.960 0.000 0.000 0.678 121 G HA3 0.121 4.081 3.960 0.000 0.000 0.678 121 G C -0.034 174.921 174.900 0.092 0.000 1.349 121 G CA -0.874 44.276 45.100 0.085 0.000 0.847 121 G HN 0.569 nan 8.290 nan 0.000 0.548 122 G N -1.516 107.321 108.800 0.063 0.000 2.849 122 G HA2 0.611 4.571 3.960 0.000 0.000 0.174 122 G HA3 0.611 4.571 3.960 0.000 0.000 0.174 122 G C 0.572 175.503 174.900 0.051 0.000 1.370 122 G CA 0.535 45.670 45.100 0.057 0.000 1.040 122 G HN 1.841 nan 8.290 nan 0.000 0.582 123 N N -0.618 118.107 118.700 0.042 0.000 2.758 123 N HA -0.177 4.563 4.740 0.000 0.000 0.248 123 N C 0.207 175.741 175.510 0.039 0.000 1.076 123 N CA 0.894 53.966 53.050 0.037 0.000 0.696 123 N CB -1.236 37.272 38.487 0.035 0.000 0.979 123 N HN 0.483 nan 8.380 nan 0.000 0.550 124 S N 0.034 115.759 115.700 0.042 0.000 2.537 124 S HA 0.428 4.898 4.470 0.000 0.000 0.286 124 S C -0.067 174.558 174.600 0.041 0.000 1.299 124 S CA 0.015 58.241 58.200 0.043 0.000 1.067 124 S CB 0.454 63.682 63.200 0.048 0.000 0.864 124 S HN 0.349 nan 8.310 nan 0.000 0.494 125 L N 3.888 125.136 121.223 0.041 0.000 2.591 125 L HA 0.352 4.692 4.340 0.000 0.000 0.257 125 L C -1.198 175.700 176.870 0.045 0.000 0.935 125 L CA -0.127 54.737 54.840 0.041 0.000 0.873 125 L CB 2.093 44.172 42.059 0.035 0.000 1.397 125 L HN 0.687 nan 8.230 nan 0.000 0.414 126 Q N 3.448 123.278 119.800 0.051 0.000 2.472 126 Q HA 0.343 4.683 4.340 0.000 0.000 0.227 126 Q C 0.450 176.475 176.000 0.043 0.000 1.156 126 Q CA -0.046 55.791 55.803 0.057 0.000 0.924 126 Q CB 0.772 29.556 28.738 0.076 0.000 1.354 126 Q HN 0.424 nan 8.270 nan 0.000 0.525 127 R N 0.963 121.483 120.500 0.034 0.000 2.254 127 R HA 0.066 4.406 4.340 0.000 0.000 0.195 127 R C 1.061 177.376 176.300 0.024 0.000 0.957 127 R CA 0.545 56.661 56.100 0.027 0.000 1.024 127 R CB 0.391 30.705 30.300 0.024 0.000 0.952 127 R HN 0.887 nan 8.270 nan 0.000 0.484 128 G N 1.636 110.450 108.800 0.023 0.000 2.179 128 G HA2 -0.313 3.647 3.960 0.000 0.000 0.257 128 G HA3 -0.313 3.647 3.960 0.000 0.000 0.257 128 G C 0.232 175.139 174.900 0.011 0.000 1.010 128 G CA 0.837 45.948 45.100 0.018 0.000 0.736 128 G HN 0.462 nan 8.290 nan 0.000 0.513 129 T N -4.730 109.830 114.554 0.010 0.000 2.938 129 T HA 0.844 5.194 4.350 0.000 0.000 0.285 129 T C 0.026 174.727 174.700 0.001 0.000 1.028 129 T CA 0.605 62.709 62.100 0.007 0.000 1.005 129 T CB 1.675 70.549 68.868 0.011 0.000 1.157 129 T HN 1.465 nan 8.240 nan 0.000 0.550 130 Q N 1.113 120.913 119.800 0.001 0.000 2.293 130 Q HA 0.549 4.889 4.340 0.000 0.000 0.263 130 Q C -2.298 173.703 176.000 0.002 0.000 1.002 130 Q CA -1.831 53.971 55.803 -0.003 0.000 0.910 130 Q CB -0.921 27.816 28.738 -0.002 0.000 1.185 130 Q HN 0.758 nan 8.270 nan 0.000 0.401 131 P HA 0.239 nan 4.420 nan 0.000 0.276 131 P C -0.577 176.728 177.300 0.008 0.000 1.244 131 P CA -0.465 62.638 63.100 0.005 0.000 0.801 131 P CB 1.035 32.734 31.700 -0.001 0.000 1.006 132 D N -0.249 120.160 120.400 0.015 0.000 2.264 132 D HA -0.009 4.631 4.640 0.000 0.000 0.208 132 D C 0.477 176.784 176.300 0.010 0.000 0.966 132 D CA 1.310 55.321 54.000 0.019 0.000 0.864 132 D CB 0.132 40.950 40.800 0.031 0.000 0.933 132 D HN 0.137 nan 8.370 nan 0.000 0.499 133 L N -0.419 120.808 121.223 0.007 0.000 2.565 133 L HA 0.259 4.599 4.340 0.000 0.000 0.261 133 L C -1.189 175.682 176.870 0.002 0.000 0.932 133 L CA -0.356 54.486 54.840 0.003 0.000 0.878 133 L CB 2.493 44.554 42.059 0.004 0.000 1.333 133 L HN -0.253 nan 8.230 nan 0.000 0.409 134 T N 5.261 119.814 114.554 -0.002 0.000 2.824 134 T HA 0.701 5.051 4.350 0.000 0.000 0.282 134 T C -0.967 173.732 174.700 -0.003 0.000 0.993 134 T CA -0.437 61.657 62.100 -0.009 0.000 0.967 134 T CB 0.584 69.441 68.868 -0.018 0.000 0.960 134 T HN 0.533 nan 8.240 nan 0.000 0.441 135 L N 4.960 126.177 121.223 -0.011 0.000 2.272 135 L HA 0.621 4.961 4.340 0.000 0.000 0.289 135 L C -0.458 176.376 176.870 -0.060 0.000 1.032 135 L CA -1.141 53.681 54.840 -0.029 0.000 0.810 135 L CB 1.822 43.874 42.059 -0.011 0.000 1.205 135 L HN 0.399 nan 8.230 nan 0.000 0.422 136 V N 3.817 123.718 119.914 -0.021 0.000 2.347 136 V HA 0.372 4.492 4.120 0.000 0.000 0.280 136 V C -0.287 175.839 176.094 0.053 0.000 1.021 136 V CA -0.314 62.038 62.300 0.087 0.000 0.847 136 V CB 0.931 32.880 31.823 0.210 0.000 0.990 136 V HN 0.370 nan 8.190 nan 0.000 0.444 137 F N 2.183 122.203 119.950 0.117 0.000 2.420 137 F HA 0.378 4.905 4.527 0.000 0.000 0.342 137 F C 0.695 176.655 175.800 0.267 0.000 1.113 137 F CA -0.600 57.495 58.000 0.158 0.000 1.059 137 F CB 1.227 40.304 39.000 0.128 0.000 1.128 137 F HN 0.388 nan 8.300 nan 0.000 0.475 138 D N 5.241 125.892 120.400 0.418 0.000 2.374 138 D HA 0.236 4.876 4.640 0.000 0.000 0.240 138 D C 0.034 176.641 176.300 0.512 0.000 1.229 138 D CA 0.358 54.619 54.000 0.435 0.000 0.895 138 D CB 0.063 41.080 40.800 0.362 0.000 1.046 138 D HN 0.571 nan 8.370 nan 0.000 0.498 139 R N 1.233 121.997 120.500 0.440 0.000 1.344 139 R HA -0.190 4.150 4.340 0.000 0.000 0.438 139 R C -0.419 176.042 176.300 0.269 0.000 1.330 139 R CA 0.092 56.385 56.100 0.322 0.000 1.237 139 R CB -0.503 29.942 30.300 0.241 0.000 3.375 139 R HN 0.629 nan 8.270 nan 0.000 0.516 140 H N 2.803 121.834 119.070 -0.065 0.000 2.573 140 H HA 0.250 4.806 4.556 0.000 0.000 0.351 140 H C -1.846 173.227 175.328 -0.425 0.000 1.163 140 H CA -2.165 53.691 56.048 -0.321 0.000 1.205 140 H CB 2.003 31.503 29.762 -0.436 0.000 1.605 140 H HN 0.213 nan 8.280 nan 0.000 0.525 141 P HA -0.226 nan 4.420 nan 0.000 0.219 141 P C 1.557 178.808 177.300 -0.082 0.000 1.149 141 P CA 1.036 63.951 63.100 -0.309 0.000 0.835 141 P CB 0.205 31.657 31.700 -0.414 0.000 0.778 142 V N -0.815 119.195 119.914 0.159 0.000 2.594 142 V HA -0.254 3.866 4.120 0.000 0.000 0.253 142 V C 2.056 178.125 176.094 -0.042 0.000 1.069 142 V CA 2.149 64.447 62.300 -0.003 0.000 1.082 142 V CB -1.197 30.545 31.823 -0.136 0.000 0.680 142 V HN 0.097 nan 8.190 nan 0.000 0.469 143 A N 0.285 123.109 122.820 0.008 0.000 1.858 143 A HA -0.193 4.127 4.320 0.000 0.000 0.216 143 A C 2.568 180.237 177.584 0.141 0.000 1.190 143 A CA 2.532 54.654 52.037 0.143 0.000 0.617 143 A CB -0.962 18.171 19.000 0.222 0.000 0.827 143 A HN 0.812 nan 8.150 nan 0.000 0.443 144 S N -0.959 114.735 115.700 -0.009 0.000 2.446 144 S HA -0.091 4.379 4.470 0.000 0.000 0.225 144 S C 1.801 176.421 174.600 0.033 0.000 1.016 144 S CA 1.644 59.844 58.200 -0.001 0.000 0.943 144 S CB -0.834 62.414 63.200 0.079 0.000 0.786 144 S HN 0.763 nan 8.310 nan 0.000 0.508 145 T N -1.472 113.088 114.554 0.011 0.000 3.044 145 T HA 0.294 4.644 4.350 0.000 0.000 0.255 145 T C 1.504 176.201 174.700 -0.005 0.000 1.073 145 T CA 0.626 62.731 62.100 0.008 0.000 1.125 145 T CB -0.023 68.839 68.868 -0.010 0.000 0.908 145 T HN 0.239 nan 8.240 nan 0.000 0.480 146 V N 0.034 119.930 119.914 -0.031 0.000 2.950 146 V HA 0.118 4.238 4.120 0.000 0.000 0.231 146 V C 2.845 178.870 176.094 -0.115 0.000 1.205 146 V CA 0.358 62.618 62.300 -0.066 0.000 1.239 146 V CB -0.441 31.322 31.823 -0.100 0.000 1.050 146 V HN 0.498 nan 8.190 nan 0.000 0.498 147 C N 0.270 119.460 119.300 -0.183 0.000 2.462 147 C HA -0.082 4.379 4.460 0.000 0.000 0.278 147 C C 2.582 177.398 174.990 -0.289 0.000 1.253 147 C CA 1.030 59.823 59.018 -0.376 0.000 1.713 147 C CB -1.067 26.217 27.740 -0.760 0.000 2.049 147 C HN 0.537 nan 8.230 nan 0.000 0.477 148 F N 1.357 121.204 119.950 -0.173 0.000 2.146 148 F HA -0.003 4.524 4.527 0.000 0.000 0.298 148 F C -0.130 175.607 175.800 -0.104 0.000 1.096 148 F CA 1.637 59.559 58.000 -0.129 0.000 1.275 148 F CB -1.580 37.313 39.000 -0.178 0.000 1.008 148 F HN 0.289 nan 8.300 nan 0.000 0.480 149 P HA 0.189 nan 4.420 nan 0.000 0.219 149 P C -0.479 176.824 177.300 0.005 0.000 1.149 149 P CA 0.481 63.609 63.100 0.046 0.000 0.755 149 P CB -0.154 31.579 31.700 0.054 0.000 1.201 150 A N 0.283 123.110 122.820 0.012 0.000 1.568 150 A HA 0.110 4.430 4.320 0.000 0.000 0.305 150 A C 1.009 178.581 177.584 -0.018 0.000 1.089 150 A CA 0.783 52.832 52.037 0.019 0.000 1.307 150 A CB -2.179 16.835 19.000 0.022 0.000 0.871 150 A HN 0.962 nan 8.150 nan 0.000 0.211 151 A N 1.928 124.713 122.820 -0.059 0.000 2.640 151 A HA -0.241 4.079 4.320 0.000 0.000 0.300 151 A C 1.472 179.100 177.584 0.074 0.000 1.499 151 A CA 1.478 53.418 52.037 -0.162 0.000 0.759 151 A CB -1.234 17.417 19.000 -0.582 0.000 1.048 151 A HN 1.823 nan 8.150 nan 0.000 0.450 152 R N 0.325 120.862 120.500 0.063 0.000 2.391 152 R HA 0.001 4.341 4.340 0.000 0.000 0.225 152 R C 1.201 177.572 176.300 0.117 0.000 1.079 152 R CA 0.757 56.889 56.100 0.053 0.000 1.147 152 R CB -0.724 29.588 30.300 0.020 0.000 1.103 152 R HN 1.050 nan 8.270 nan 0.000 0.499 153 Y N -1.700 118.555 120.300 -0.076 0.000 2.716 153 Y HA -0.077 4.473 4.550 0.000 0.000 0.302 153 Y C 1.148 177.001 175.900 -0.078 0.000 1.160 153 Y CA 0.018 58.078 58.100 -0.066 0.000 1.362 153 Y CB -0.143 38.276 38.460 -0.069 0.000 0.988 153 Y HN 0.040 nan 8.280 nan 0.000 0.546 154 L N 0.459 121.587 121.223 -0.158 0.000 2.005 154 L HA -0.191 4.149 4.340 0.000 0.000 0.207 154 L C 2.174 178.895 176.870 -0.248 0.000 1.072 154 L CA 1.273 55.938 54.840 -0.291 0.000 0.744 154 L CB -0.441 41.523 42.059 -0.158 0.000 0.895 154 L HN 0.354 nan 8.230 nan 0.000 0.433 155 L N -0.154 120.984 121.223 -0.142 0.000 2.622 155 L HA 0.018 4.358 4.340 0.000 0.000 0.233 155 L C 1.366 178.177 176.870 -0.099 0.000 1.156 155 L CA 0.612 55.390 54.840 -0.103 0.000 0.866 155 L CB -0.598 41.431 42.059 -0.050 0.000 0.980 155 L HN 0.551 nan 8.230 nan 0.000 0.448 156 G N -0.066 108.659 108.800 -0.126 0.000 2.147 156 G HA2 -0.308 3.652 3.960 0.000 0.000 0.244 156 G HA3 -0.308 3.652 3.960 0.000 0.000 0.244 156 G C 0.272 175.156 174.900 -0.025 0.000 1.005 156 G CA 0.522 45.568 45.100 -0.090 0.000 0.713 156 G HN 0.425 nan 8.290 nan 0.000 0.515 157 D N -0.628 119.770 120.400 -0.005 0.000 2.349 157 D HA 0.434 5.074 4.640 0.000 0.000 0.214 157 D C 0.942 177.269 176.300 0.046 0.000 1.063 157 D CA 0.620 54.635 54.000 0.025 0.000 0.847 157 D CB 0.259 41.078 40.800 0.032 0.000 0.933 157 D HN 0.487 nan 8.370 nan 0.000 0.513 158 M N 0.021 119.654 119.600 0.055 0.000 2.490 158 M HA 0.187 4.667 4.480 0.000 0.000 0.286 158 M C -1.431 174.938 176.300 0.115 0.000 1.185 158 M CA -0.562 54.785 55.300 0.078 0.000 0.912 158 M CB 1.952 34.601 32.600 0.082 0.000 1.744 158 M HN -0.059 nan 8.290 nan 0.000 0.494 159 S N 1.880 117.639 115.700 0.099 0.000 2.690 159 S HA 0.413 4.883 4.470 0.000 0.000 0.291 159 S C 0.593 175.234 174.600 0.068 0.000 1.138 159 S CA -0.689 57.581 58.200 0.117 0.000 1.013 159 S CB 1.539 64.782 63.200 0.071 0.000 1.053 159 S HN 0.866 nan 8.310 nan 0.000 0.539 160 M N 1.495 121.105 119.600 0.017 0.000 2.144 160 M HA -0.066 4.414 4.480 0.000 0.000 0.260 160 M C 2.030 178.271 176.300 -0.099 0.000 1.067 160 M CA 1.490 56.668 55.300 -0.203 0.000 1.095 160 M CB -1.500 30.945 32.600 -0.258 0.000 1.365 160 M HN 0.915 nan 8.290 nan 0.000 0.406 161 C N -0.025 119.254 119.300 -0.035 0.000 2.442 161 C HA -0.016 4.444 4.460 0.000 0.000 0.279 161 C C 2.791 177.783 174.990 0.004 0.000 1.237 161 C CA 1.511 60.523 59.018 -0.010 0.000 1.722 161 C CB -1.646 26.099 27.740 0.009 0.000 2.056 161 C HN 0.674 nan 8.230 nan 0.000 0.469 162 A N -0.054 122.776 122.820 0.017 0.000 2.084 162 A HA -0.066 4.254 4.320 0.000 0.000 0.221 162 A C 1.991 179.591 177.584 0.026 0.000 1.161 162 A CA 1.565 53.620 52.037 0.030 0.000 0.653 162 A CB -0.506 18.520 19.000 0.043 0.000 0.802 162 A HN 0.592 nan 8.150 nan 0.000 0.457 163 L N -1.204 120.023 121.223 0.007 0.000 2.049 163 L HA -0.019 4.321 4.340 0.000 0.000 0.203 163 L C 2.565 179.448 176.870 0.022 0.000 1.074 163 L CA 1.481 56.323 54.840 0.004 0.000 0.749 163 L CB -1.087 40.934 42.059 -0.063 0.000 0.907 163 L HN 0.305 nan 8.230 nan 0.000 0.439 164 M N -0.638 118.969 119.600 0.011 0.000 2.195 164 M HA -0.206 4.274 4.480 0.000 0.000 0.260 164 M C 2.347 178.651 176.300 0.007 0.000 1.066 164 M CA 1.742 57.044 55.300 0.003 0.000 1.089 164 M CB -1.476 31.118 32.600 -0.010 0.000 1.377 164 M HN 0.290 nan 8.290 nan 0.000 0.411 165 A N 0.570 123.400 122.820 0.016 0.000 1.845 165 A HA -0.176 4.144 4.320 0.000 0.000 0.215 165 A C 2.212 179.810 177.584 0.024 0.000 1.195 165 A CA 1.785 53.836 52.037 0.023 0.000 0.616 165 A CB -0.474 18.544 19.000 0.030 0.000 0.832 165 A HN 0.428 nan 8.150 nan 0.000 0.443 166 M N -0.304 119.313 119.600 0.028 0.000 2.086 166 M HA -0.110 4.370 4.480 0.000 0.000 0.261 166 M C 2.223 178.532 176.300 0.014 0.000 1.067 166 M CA 1.361 56.678 55.300 0.028 0.000 1.116 166 M CB -1.515 31.106 32.600 0.036 0.000 1.348 166 M HN 0.224 nan 8.290 nan 0.000 0.407 167 V N 1.061 120.981 119.914 0.010 0.000 2.392 167 V HA -0.236 3.884 4.120 0.000 0.000 0.249 167 V C 2.801 178.879 176.094 -0.027 0.000 1.059 167 V CA 1.832 64.127 62.300 -0.008 0.000 1.051 167 V CB -1.487 30.332 31.823 -0.008 0.000 0.658 167 V HN 0.524 nan 8.190 nan 0.000 0.455 168 A N 0.606 123.414 122.820 -0.020 0.000 2.070 168 A HA -0.205 4.115 4.320 0.000 0.000 0.220 168 A C 2.352 179.928 177.584 -0.013 0.000 1.159 168 A CA 2.229 54.256 52.037 -0.017 0.000 0.656 168 A CB -0.732 18.266 19.000 -0.003 0.000 0.800 168 A HN 0.667 nan 8.150 nan 0.000 0.453 169 T N -2.812 111.737 114.554 -0.008 0.000 3.081 169 T HA 0.267 4.617 4.350 0.000 0.000 0.250 169 T C 0.565 175.248 174.700 -0.030 0.000 1.100 169 T CA 0.037 62.132 62.100 -0.008 0.000 1.038 169 T CB -0.605 68.268 68.868 0.009 0.000 0.962 169 T HN 0.243 nan 8.240 nan 0.000 0.516 170 L N 4.855 126.054 121.223 -0.039 0.000 2.660 170 L HA 0.252 4.592 4.340 0.000 0.000 0.272 170 L C -2.265 174.552 176.870 -0.089 0.000 1.194 170 L CA -1.374 53.425 54.840 -0.067 0.000 0.945 170 L CB -0.062 41.964 42.059 -0.055 0.000 1.212 170 L HN 0.020 nan 8.230 nan 0.000 0.490 171 P HA 0.046 nan 4.420 nan 0.000 0.272 171 P C -0.913 176.310 177.300 -0.127 0.000 1.223 171 P CA -0.441 62.548 63.100 -0.185 0.000 0.784 171 P CB 0.525 31.981 31.700 -0.407 0.000 0.923 172 R N 1.938 122.425 120.500 -0.022 0.000 2.401 172 R HA 0.031 4.371 4.340 0.000 0.000 0.299 172 R C 0.074 176.459 176.300 0.142 0.000 1.064 172 R CA -0.122 56.005 56.100 0.044 0.000 1.000 172 R CB 0.085 30.415 30.300 0.049 0.000 0.973 172 R HN 0.404 nan 8.270 nan 0.000 0.438 173 E N 6.894 127.183 120.200 0.149 0.000 2.257 173 E HA 0.165 4.515 4.350 0.000 0.000 0.278 173 E C -2.110 174.595 176.600 0.175 0.000 1.049 173 E CA -1.922 54.621 56.400 0.239 0.000 0.876 173 E CB 0.845 30.674 29.700 0.215 0.000 1.035 173 E HN 0.352 nan 8.360 nan 0.000 0.419 174 P HA -0.010 nan 4.420 nan 0.000 0.274 174 P C -0.733 176.641 177.300 0.123 0.000 1.256 174 P CA -0.368 62.813 63.100 0.135 0.000 0.795 174 P CB 0.359 32.145 31.700 0.143 0.000 1.038 175 Q N -0.403 119.454 119.800 0.096 0.000 2.414 175 Q HA 0.223 4.563 4.340 0.000 0.000 0.288 175 Q C 0.735 176.780 176.000 0.075 0.000 1.086 175 Q CA 0.305 56.156 55.803 0.079 0.000 0.943 175 Q CB -0.695 28.082 28.738 0.065 0.000 1.282 175 Q HN 0.851 nan 8.270 nan 0.000 0.438 176 G N 1.103 109.940 108.800 0.062 0.000 2.157 176 G HA2 -0.226 3.734 3.960 0.000 0.000 0.248 176 G HA3 -0.226 3.734 3.960 0.000 0.000 0.248 176 G C 0.341 175.255 174.900 0.023 0.000 0.979 176 G CA -0.261 44.863 45.100 0.039 0.000 0.650 176 G HN 1.078 nan 8.290 nan 0.000 0.529 177 G N -0.278 108.568 108.800 0.076 0.000 2.467 177 G HA2 0.485 4.445 3.960 0.000 0.000 0.257 177 G HA3 0.485 4.445 3.960 0.000 0.000 0.257 177 G C -0.272 174.736 174.900 0.179 0.000 1.227 177 G CA -0.268 44.921 45.100 0.149 0.000 0.835 177 G HN 0.330 nan 8.290 nan 0.000 0.556 178 N N 0.623 119.451 118.700 0.213 0.000 2.352 178 N HA 0.314 5.054 4.740 0.000 0.000 0.291 178 N C -1.393 174.328 175.510 0.351 0.000 1.040 178 N CA -0.405 52.808 53.050 0.273 0.000 0.864 178 N CB 2.827 41.441 38.487 0.212 0.000 1.440 178 N HN 0.431 nan 8.380 nan 0.000 0.483 179 I N 1.850 122.620 120.570 0.333 0.000 2.433 179 I HA 0.361 4.531 4.170 0.000 0.000 0.292 179 I C -1.025 175.271 176.117 0.298 0.000 1.001 179 I CA -0.779 60.696 61.300 0.292 0.000 1.119 179 I CB 1.405 39.480 38.000 0.125 0.000 1.289 179 I HN 0.098 nan 8.210 nan 0.000 0.438 180 V N 8.232 128.297 119.914 0.252 0.000 2.326 180 V HA 0.291 4.411 4.120 0.000 0.000 0.281 180 V C -0.187 175.983 176.094 0.126 0.000 1.015 180 V CA -0.593 61.834 62.300 0.212 0.000 0.823 180 V CB 1.514 33.430 31.823 0.155 0.000 1.009 180 V HN 0.433 nan 8.190 nan 0.000 0.436 181 V N 4.930 124.900 119.914 0.094 0.000 2.461 181 V HA 0.304 4.424 4.120 0.000 0.000 0.275 181 V C 0.822 176.895 176.094 -0.036 0.000 1.047 181 V CA -0.282 62.013 62.300 -0.008 0.000 0.955 181 V CB 1.781 33.600 31.823 -0.006 0.000 0.988 181 V HN 0.981 nan 8.190 nan 0.000 0.471 182 T N 1.698 116.184 114.554 -0.113 0.000 2.817 182 T HA 0.556 4.906 4.350 0.000 0.000 0.293 182 T C 0.027 174.635 174.700 -0.154 0.000 0.964 182 T CA -0.479 61.561 62.100 -0.099 0.000 1.085 182 T CB 1.086 69.890 68.868 -0.106 0.000 0.921 182 T HN 0.826 nan 8.240 nan 0.000 0.502 183 T N 1.148 115.653 114.554 -0.082 0.000 2.912 183 T HA 0.743 5.093 4.350 0.000 0.000 0.288 183 T C -0.954 173.713 174.700 -0.055 0.000 1.030 183 T CA -1.019 61.039 62.100 -0.070 0.000 1.020 183 T CB 1.658 70.567 68.868 0.069 0.000 1.056 183 T HN 0.685 nan 8.240 nan 0.000 0.480 184 L N 2.520 123.710 121.223 -0.054 0.000 2.526 184 L HA 0.472 4.813 4.340 0.000 0.000 0.263 184 L C -0.810 176.083 176.870 0.039 0.000 0.943 184 L CA -0.566 54.257 54.840 -0.029 0.000 0.859 184 L CB 1.995 43.990 42.059 -0.107 0.000 1.313 184 L HN 1.041 nan 8.230 nan 0.000 0.406 185 N N 2.909 121.644 118.700 0.059 0.000 2.356 185 N HA 0.030 4.771 4.740 0.000 0.000 0.252 185 N C 1.044 176.610 175.510 0.094 0.000 1.241 185 N CA 0.473 53.569 53.050 0.077 0.000 0.861 185 N CB 0.846 39.368 38.487 0.058 0.000 1.075 185 N HN 0.554 nan 8.380 nan 0.000 0.461 186 V N 1.831 121.805 119.914 0.100 0.000 2.332 186 V HA -0.263 3.857 4.120 0.000 0.000 0.248 186 V C 2.009 178.145 176.094 0.071 0.000 1.055 186 V CA 2.039 64.400 62.300 0.102 0.000 1.038 186 V CB -0.827 31.039 31.823 0.072 0.000 0.651 186 V HN 0.877 nan 8.190 nan 0.000 0.450 187 E N -0.087 120.144 120.200 0.052 0.000 2.049 187 E HA -0.290 4.060 4.350 0.000 0.000 0.198 187 E C 2.334 178.964 176.600 0.049 0.000 1.007 187 E CA 2.501 58.923 56.400 0.038 0.000 0.809 187 E CB -0.241 29.477 29.700 0.031 0.000 0.749 187 E HN 0.889 nan 8.360 nan 0.000 0.450 188 E N 0.187 120.425 120.200 0.064 0.000 2.208 188 E HA -0.197 4.154 4.350 0.000 0.000 0.193 188 E C 1.615 178.282 176.600 0.112 0.000 0.988 188 E CA 1.413 57.854 56.400 0.068 0.000 0.828 188 E CB -0.932 28.799 29.700 0.051 0.000 0.763 188 E HN 0.576 nan 8.360 nan 0.000 0.478 189 H N -0.500 118.567 119.070 -0.004 0.000 2.293 189 H HA -0.006 4.550 4.556 0.000 0.000 0.300 189 H C 2.358 177.678 175.328 -0.014 0.000 1.082 189 H CA 1.396 57.433 56.048 -0.018 0.000 1.308 189 H CB -0.002 29.736 29.762 -0.039 0.000 1.375 189 H HN 0.387 nan 8.280 nan 0.000 0.495 190 I N 0.474 121.029 120.570 -0.024 0.000 2.226 190 I HA -0.276 3.894 4.170 0.000 0.000 0.245 190 I C 2.922 179.029 176.117 -0.016 0.000 1.100 190 I CA 0.998 62.243 61.300 -0.090 0.000 1.374 190 I CB -0.341 37.616 38.000 -0.072 0.000 1.057 190 I HN 0.305 nan 8.210 nan 0.000 0.413 191 R N 1.174 121.686 120.500 0.020 0.000 2.080 191 R HA -0.202 4.138 4.340 0.000 0.000 0.236 191 R C 2.493 178.819 176.300 0.044 0.000 1.137 191 R CA 1.754 57.871 56.100 0.030 0.000 0.943 191 R CB -0.184 30.136 30.300 0.034 0.000 0.846 191 R HN 0.256 nan 8.270 nan 0.000 0.431 192 R N 0.137 120.680 120.500 0.071 0.000 2.083 192 R HA -0.126 4.214 4.340 0.000 0.000 0.237 192 R C 2.445 178.798 176.300 0.089 0.000 1.137 192 R CA 1.686 57.838 56.100 0.086 0.000 0.951 192 R CB -0.366 30.004 30.300 0.117 0.000 0.851 192 R HN 0.263 nan 8.270 nan 0.000 0.434 193 L N -0.285 120.990 121.223 0.086 0.000 2.131 193 L HA -0.174 4.166 4.340 0.000 0.000 0.210 193 L C 2.567 179.471 176.870 0.056 0.000 1.092 193 L CA 1.327 56.213 54.840 0.077 0.000 0.759 193 L CB -0.231 41.838 42.059 0.016 0.000 0.903 193 L HN 0.138 nan 8.230 nan 0.000 0.435 194 R N -0.340 120.181 120.500 0.034 0.000 2.062 194 R HA -0.066 4.274 4.340 0.000 0.000 0.229 194 R C 1.557 177.878 176.300 0.034 0.000 1.128 194 R CA 1.474 57.591 56.100 0.028 0.000 0.960 194 R CB -0.567 29.743 30.300 0.016 0.000 0.855 194 R HN 0.328 nan 8.270 nan 0.000 0.432 195 T N 0.017 114.593 114.554 0.037 0.000 4.029 195 T HA 0.079 4.429 4.350 0.000 0.000 0.226 195 T C 0.934 175.660 174.700 0.043 0.000 0.838 195 T CA 0.156 62.278 62.100 0.036 0.000 0.907 195 T CB -0.122 68.767 68.868 0.034 0.000 1.296 195 T HN 0.073 nan 8.240 nan 0.000 0.711 196 R N -1.014 119.514 120.500 0.046 0.000 2.258 196 R HA 0.322 4.662 4.340 0.000 0.000 0.188 196 R C -0.142 176.188 176.300 0.051 0.000 0.793 196 R CA 0.521 56.654 56.100 0.054 0.000 1.301 196 R CB 0.195 30.539 30.300 0.074 0.000 1.582 196 R HN 0.430 nan 8.270 nan 0.000 0.448 197 A N 2.012 124.859 122.820 0.045 0.000 2.282 197 A HA 0.709 5.029 4.320 0.000 0.000 0.319 197 A C 0.090 177.692 177.584 0.030 0.000 1.121 197 A CA -0.657 51.404 52.037 0.040 0.000 0.836 197 A CB 0.763 19.786 19.000 0.039 0.000 1.146 197 A HN 0.206 nan 8.150 nan 0.000 0.494 198 R N 0.342 120.858 120.500 0.026 0.000 2.867 198 R HA 0.639 4.979 4.340 0.000 0.000 0.227 198 R C 1.817 178.128 176.300 0.018 0.000 1.372 198 R CA -0.078 56.035 56.100 0.021 0.000 1.083 198 R CB -0.746 29.566 30.300 0.019 0.000 1.596 198 R HN 0.774 nan 8.270 nan 0.000 0.522 199 I N 0.515 121.095 120.570 0.015 0.000 2.151 199 I HA -0.244 3.926 4.170 0.000 0.000 0.236 199 I C 1.406 177.531 176.117 0.013 0.000 1.000 199 I CA 2.667 63.975 61.300 0.013 0.000 1.285 199 I CB -1.429 36.578 38.000 0.011 0.000 0.994 199 I HN 0.709 nan 8.210 nan 0.000 0.396 200 G N 2.452 111.260 108.800 0.014 0.000 4.373 200 G HA2 0.551 4.511 3.960 0.000 0.000 0.337 200 G HA3 0.551 4.511 3.960 0.000 0.000 0.337 200 G C -0.235 174.675 174.900 0.016 0.000 1.442 200 G CA -0.134 44.974 45.100 0.013 0.000 1.150 200 G HN 0.634 nan 8.290 nan 0.000 0.517 201 E N 0.435 120.646 120.200 0.018 0.000 2.264 201 E HA 0.470 4.820 4.350 0.000 0.000 0.260 201 E C -0.371 176.243 176.600 0.023 0.000 0.961 201 E CA -0.524 55.889 56.400 0.022 0.000 0.834 201 E CB 2.074 31.790 29.700 0.027 0.000 1.230 201 E HN 0.475 nan 8.360 nan 0.000 0.412 202 Q N 0.327 120.144 119.800 0.028 0.000 2.458 202 Q HA 0.585 4.925 4.340 0.000 0.000 0.282 202 Q C -0.567 175.458 176.000 0.043 0.000 1.106 202 Q CA -0.936 54.884 55.803 0.030 0.000 0.814 202 Q CB 2.157 30.911 28.738 0.028 0.000 1.425 202 Q HN 0.321 nan 8.270 nan 0.000 0.437 203 I N 0.361 120.955 120.570 0.040 0.000 2.406 203 I HA 0.231 4.401 4.170 0.000 0.000 0.290 203 I C -0.191 175.955 176.117 0.049 0.000 0.999 203 I CA -0.541 60.793 61.300 0.057 0.000 1.124 203 I CB 1.068 39.083 38.000 0.025 0.000 1.289 203 I HN 0.882 nan 8.210 nan 0.000 0.441 204 D N 6.772 127.224 120.400 0.086 0.000 2.498 204 D HA 0.226 4.866 4.640 0.000 0.000 0.229 204 D C 1.287 177.602 176.300 0.025 0.000 1.188 204 D CA -0.223 53.817 54.000 0.067 0.000 1.028 204 D CB 0.076 40.940 40.800 0.106 0.000 1.087 204 D HN 0.396 nan 8.370 nan 0.000 0.510 205 I N 0.591 121.155 120.570 -0.010 0.000 2.286 205 I HA -0.159 4.011 4.170 0.000 0.000 0.248 205 I C 2.790 178.879 176.117 -0.047 0.000 1.115 205 I CA 1.483 62.752 61.300 -0.052 0.000 1.392 205 I CB -0.771 37.202 38.000 -0.045 0.000 1.065 205 I HN 0.458 nan 8.210 nan 0.000 0.418 206 T N 0.941 115.482 114.554 -0.021 0.000 2.904 206 T HA -0.118 4.232 4.350 0.000 0.000 0.267 206 T C 1.856 176.541 174.700 -0.025 0.000 1.059 206 T CA 0.907 62.996 62.100 -0.018 0.000 1.137 206 T CB -0.069 68.796 68.868 -0.005 0.000 0.879 206 T HN 0.199 nan 8.240 nan 0.000 0.467 207 L N 0.941 122.157 121.223 -0.010 0.000 2.044 207 L HA 0.099 4.439 4.340 0.000 0.000 0.205 207 L C 2.151 178.983 176.870 -0.063 0.000 1.075 207 L CA 1.523 56.357 54.840 -0.009 0.000 0.747 207 L CB -0.582 41.518 42.059 0.067 0.000 0.903 207 L HN 0.201 nan 8.230 nan 0.000 0.435 208 I N 0.329 120.838 120.570 -0.100 0.000 2.208 208 I HA -0.313 3.857 4.170 0.000 0.000 0.245 208 I C 2.635 178.676 176.117 -0.127 0.000 1.097 208 I CA 1.574 62.752 61.300 -0.203 0.000 1.363 208 I CB -1.582 36.234 38.000 -0.307 0.000 1.051 208 I HN 0.426 nan 8.210 nan 0.000 0.413 209 A N 0.271 123.041 122.820 -0.083 0.000 1.898 209 A HA -0.173 4.147 4.320 0.000 0.000 0.216 209 A C 2.404 179.969 177.584 -0.031 0.000 1.181 209 A CA 2.259 54.276 52.037 -0.035 0.000 0.620 209 A CB -0.985 18.006 19.000 -0.016 0.000 0.819 209 A HN 0.409 nan 8.150 nan 0.000 0.442 210 T N 0.625 115.142 114.554 -0.060 0.000 2.708 210 T HA -0.104 4.246 4.350 0.000 0.000 0.266 210 T C 1.826 176.445 174.700 -0.135 0.000 1.037 210 T CA 1.490 63.536 62.100 -0.089 0.000 1.146 210 T CB -0.432 68.376 68.868 -0.100 0.000 0.865 210 T HN 0.350 nan 8.240 nan 0.000 0.435 211 L N 0.352 121.479 121.223 -0.161 0.000 2.079 211 L HA -0.125 4.215 4.340 0.000 0.000 0.210 211 L C 2.880 179.690 176.870 -0.100 0.000 1.081 211 L CA 1.414 56.135 54.840 -0.198 0.000 0.752 211 L CB -0.449 41.454 42.059 -0.260 0.000 0.896 211 L HN 0.178 nan 8.230 nan 0.000 0.433 212 R N -0.426 120.018 120.500 -0.093 0.000 2.120 212 R HA -0.116 4.224 4.340 0.000 0.000 0.234 212 R C 2.021 178.269 176.300 -0.086 0.000 1.123 212 R CA 1.151 57.174 56.100 -0.128 0.000 0.975 212 R CB -0.254 30.029 30.300 -0.029 0.000 0.866 212 R HN 0.417 nan 8.270 nan 0.000 0.446 213 N N -0.063 118.638 118.700 0.003 0.000 2.250 213 N HA -0.081 4.659 4.740 0.000 0.000 0.181 213 N C 1.775 177.142 175.510 -0.239 0.000 1.017 213 N CA 0.858 53.915 53.050 0.013 0.000 0.866 213 N CB -0.110 38.359 38.487 -0.030 0.000 0.985 213 N HN -0.013 nan 8.380 nan 0.000 0.429 214 V N 0.479 120.229 119.914 -0.274 0.000 2.427 214 V HA -0.194 3.926 4.120 0.000 0.000 0.248 214 V C 1.649 177.536 176.094 -0.344 0.000 1.051 214 V CA 1.283 63.369 62.300 -0.357 0.000 1.048 214 V CB -0.601 30.993 31.823 -0.382 0.000 0.666 214 V HN 0.234 nan 8.190 nan 0.000 0.456 215 Y N -1.195 118.935 120.300 -0.282 0.000 2.373 215 Y HA -0.068 4.482 4.550 0.000 0.000 0.293 215 Y C 2.096 177.861 175.900 -0.224 0.000 1.129 215 Y CA 1.284 59.218 58.100 -0.277 0.000 1.226 215 Y CB -0.406 37.854 38.460 -0.333 0.000 1.000 215 Y HN 0.202 nan 8.280 nan 0.000 0.549 216 F N -1.213 118.747 119.950 0.017 0.000 2.163 216 F HA -0.257 4.270 4.527 0.000 0.000 0.297 216 F C 2.327 178.100 175.800 -0.046 0.000 1.094 216 F CA 0.826 58.836 58.000 0.017 0.000 1.290 216 F CB -0.357 38.683 39.000 0.067 0.000 1.017 216 F HN -0.026 nan 8.300 nan 0.000 0.483 217 M N -0.446 119.156 119.600 0.004 0.000 2.149 217 M HA -0.235 4.245 4.480 0.000 0.000 0.261 217 M C 2.212 178.436 176.300 -0.126 0.000 1.064 217 M CA 1.399 56.627 55.300 -0.121 0.000 1.102 217 M CB -0.509 31.908 32.600 -0.306 0.000 1.369 217 M HN 0.238 nan 8.290 nan 0.000 0.408 218 L N 0.179 121.310 121.223 -0.153 0.000 1.994 218 L HA -0.123 4.217 4.340 0.000 0.000 0.208 218 L C 2.245 179.049 176.870 -0.109 0.000 1.071 218 L CA 1.605 56.344 54.840 -0.167 0.000 0.745 218 L CB -0.655 41.279 42.059 -0.207 0.000 0.892 218 L HN 0.008 nan 8.230 nan 0.000 0.431 219 V N 0.691 120.581 119.914 -0.041 0.000 2.252 219 V HA -0.367 3.753 4.120 0.000 0.000 0.249 219 V C 2.434 178.439 176.094 -0.148 0.000 1.056 219 V CA 2.189 64.432 62.300 -0.094 0.000 1.022 219 V CB -1.003 30.858 31.823 0.064 0.000 0.641 219 V HN 0.553 nan 8.190 nan 0.000 0.445 220 N N -0.067 118.655 118.700 0.036 0.000 2.120 220 N HA -0.136 4.604 4.740 0.000 0.000 0.188 220 N C 1.882 177.458 175.510 0.110 0.000 1.024 220 N CA 1.889 55.022 53.050 0.138 0.000 0.852 220 N CB -0.871 37.717 38.487 0.168 0.000 1.003 220 N HN 0.498 nan 8.380 nan 0.000 0.424 221 T N 0.703 115.242 114.554 -0.024 0.000 2.665 221 T HA -0.144 4.206 4.350 0.000 0.000 0.268 221 T C 2.193 176.954 174.700 0.101 0.000 1.035 221 T CA 1.267 63.335 62.100 -0.054 0.000 1.151 221 T CB -0.617 68.077 68.868 -0.289 0.000 0.862 221 T HN 0.343 nan 8.240 nan 0.000 0.438 222 C N 0.829 120.119 119.300 -0.017 0.000 2.425 222 C HA -0.052 4.408 4.460 0.000 0.000 0.277 222 C C 2.663 177.691 174.990 0.063 0.000 1.280 222 C CA 0.151 59.158 59.018 -0.019 0.000 1.744 222 C CB -1.305 26.346 27.740 -0.148 0.000 1.989 222 C HN 0.584 nan 8.230 nan 0.000 0.491 223 H N -0.700 118.436 119.070 0.110 0.000 2.387 223 H HA -0.094 4.462 4.556 0.000 0.000 0.299 223 H C 2.039 177.466 175.328 0.165 0.000 1.090 223 H CA 1.578 57.689 56.048 0.104 0.000 1.332 223 H CB -0.725 29.100 29.762 0.105 0.000 1.386 223 H HN 0.599 nan 8.280 nan 0.000 0.516 224 F N 0.965 121.038 119.950 0.205 0.000 2.113 224 F HA -0.115 4.412 4.527 0.000 0.000 0.297 224 F C 2.247 178.148 175.800 0.169 0.000 1.103 224 F CA 0.896 59.010 58.000 0.189 0.000 1.248 224 F CB -0.340 38.800 39.000 0.233 0.000 0.999 224 F HN -0.027 nan 8.300 nan 0.000 0.475 225 L N -0.158 121.300 121.223 0.392 0.000 2.056 225 L HA -0.172 4.168 4.340 0.000 0.000 0.207 225 L C 2.565 179.496 176.870 0.102 0.000 1.078 225 L CA 1.206 56.191 54.840 0.241 0.000 0.749 225 L CB -0.637 41.589 42.059 0.278 0.000 0.901 225 L HN 0.074 nan 8.230 nan 0.000 0.433 226 R N 0.746 121.311 120.500 0.107 0.000 2.081 226 R HA -0.165 4.175 4.340 0.000 0.000 0.235 226 R C 2.497 178.814 176.300 0.027 0.000 1.131 226 R CA 1.699 57.838 56.100 0.065 0.000 0.960 226 R CB -0.758 29.591 30.300 0.083 0.000 0.856 226 R HN 0.371 nan 8.270 nan 0.000 0.436 227 S N -1.088 114.621 115.700 0.015 0.000 2.520 227 S HA -0.029 4.441 4.470 0.000 0.000 0.249 227 S C 1.454 175.999 174.600 -0.092 0.000 0.983 227 S CA 1.422 59.594 58.200 -0.047 0.000 0.958 227 S CB -0.440 62.714 63.200 -0.076 0.000 0.750 227 S HN 0.686 nan 8.310 nan 0.000 0.527 228 G N 0.602 109.351 108.800 -0.084 0.000 2.234 228 G HA2 -0.258 3.702 3.960 0.000 0.000 0.235 228 G HA3 -0.258 3.702 3.960 0.000 0.000 0.235 228 G C 0.292 175.107 174.900 -0.143 0.000 0.997 228 G CA 0.058 45.106 45.100 -0.088 0.000 0.623 228 G HN 0.659 nan 8.290 nan 0.000 0.514 229 R N 0.039 120.372 120.500 -0.279 0.000 2.726 229 R HA 0.583 4.923 4.340 0.000 0.000 0.272 229 R C 0.533 176.688 176.300 -0.242 0.000 1.097 229 R CA 0.328 56.197 56.100 -0.385 0.000 1.198 229 R CB 0.973 30.795 30.300 -0.797 0.000 1.114 229 R HN 0.779 nan 8.270 nan 0.000 0.550 230 V N -1.750 118.088 119.914 -0.125 0.000 3.040 230 V HA 0.279 4.399 4.120 0.000 0.000 0.312 230 V C 1.113 177.250 176.094 0.071 0.000 1.115 230 V CA -1.122 61.166 62.300 -0.020 0.000 0.998 230 V CB 1.570 33.268 31.823 -0.209 0.000 1.042 230 V HN 1.117 nan 8.190 nan 0.000 0.433 231 W N 1.281 122.443 121.300 -0.229 0.000 2.359 231 W HA -0.110 4.550 4.660 0.000 0.000 0.275 231 W C 1.456 177.915 176.519 -0.099 0.000 1.217 231 W CA 1.276 58.347 57.345 -0.457 0.000 1.196 231 W CB -0.578 28.066 29.460 -1.361 0.000 1.129 231 W HN 0.692 nan 8.180 nan 0.000 0.566 232 R N 0.711 120.694 120.500 -0.862 0.000 2.148 232 R HA -0.063 4.277 4.340 0.000 0.000 0.223 232 R C 0.073 176.311 176.300 -0.102 0.000 1.088 232 R CA 0.952 56.637 56.100 -0.691 0.000 0.985 232 R CB -0.443 29.299 30.300 -0.931 0.000 0.880 232 R HN -0.051 nan 8.270 nan 0.000 0.451 233 D N 0.564 120.950 120.400 -0.024 0.000 2.385 233 D HA 0.093 4.733 4.640 0.000 0.000 0.260 233 D C 0.922 177.355 176.300 0.222 0.000 1.326 233 D CA 0.881 54.926 54.000 0.076 0.000 1.023 233 D CB 0.671 41.489 40.800 0.029 0.000 1.083 233 D HN 0.476 nan 8.370 nan 0.000 0.517 234 G N 2.102 111.022 108.800 0.199 0.000 2.229 234 G HA2 -0.237 3.723 3.960 0.000 0.000 0.189 234 G HA3 -0.237 3.723 3.960 0.000 0.000 0.189 234 G C 0.898 175.939 174.900 0.236 0.000 1.000 234 G CA -0.029 45.199 45.100 0.212 0.000 0.663 234 G HN 0.507 nan 8.290 nan 0.000 0.493 235 W N 1.573 122.929 121.300 0.094 0.000 2.378 235 W HA -0.016 4.645 4.660 0.000 0.000 0.313 235 W C 2.001 178.578 176.519 0.096 0.000 1.197 235 W CA 2.340 59.763 57.345 0.129 0.000 1.304 235 W CB -0.703 28.855 29.460 0.162 0.000 1.148 235 W HN 0.238 nan 8.180 nan 0.000 0.494 236 G N 0.392 109.319 108.800 0.212 0.000 2.440 236 G HA2 -0.343 3.617 3.960 0.000 0.000 0.218 236 G HA3 -0.343 3.617 3.960 0.000 0.000 0.218 236 G C 1.301 176.197 174.900 -0.006 0.000 1.154 236 G CA 1.585 46.733 45.100 0.081 0.000 0.767 236 G HN 0.405 nan 8.290 nan 0.000 0.552 237 E N -0.473 119.740 120.200 0.023 0.000 2.321 237 E HA 0.546 4.896 4.350 0.000 0.000 0.189 237 E C 0.351 176.942 176.600 -0.016 0.000 1.125 237 E CA -0.296 56.109 56.400 0.008 0.000 1.005 237 E CB -0.231 29.490 29.700 0.034 0.000 1.140 237 E HN 0.394 nan 8.360 nan 0.000 0.457 238 L N 0.573 121.747 121.223 -0.082 0.000 2.341 238 L HA 0.543 4.883 4.340 0.000 0.000 0.278 238 L C -2.554 174.217 176.870 -0.165 0.000 1.005 238 L CA -2.356 52.414 54.840 -0.117 0.000 0.818 238 L CB 2.182 44.139 42.059 -0.171 0.000 1.259 238 L HN -0.124 nan 8.230 nan 0.000 0.418 239 P HA 0.067 nan 4.420 nan 0.000 0.267 239 P C -0.774 176.432 177.300 -0.156 0.000 1.200 239 P CA -0.207 62.834 63.100 -0.098 0.000 0.772 239 P CB 0.099 31.773 31.700 -0.044 0.000 0.855 240 T N -0.910 113.563 114.554 -0.135 0.000 2.775 240 T HA 0.106 4.456 4.350 0.000 0.000 0.281 240 T C 0.387 175.015 174.700 -0.120 0.000 0.908 240 T CA -0.485 61.524 62.100 -0.152 0.000 1.123 240 T CB -1.081 67.728 68.868 -0.098 0.000 0.879 240 T HN 0.220 nan 8.240 nan 0.000 0.547 241 S N 3.451 119.034 115.700 -0.195 0.000 2.780 241 S HA 0.156 4.626 4.470 0.000 0.000 0.339 241 S C 0.182 174.740 174.600 -0.070 0.000 1.183 241 S CA -0.571 57.516 58.200 -0.189 0.000 1.358 241 S CB -0.980 61.857 63.200 -0.605 0.000 1.167 241 S HN 0.867 nan 8.310 nan 0.000 0.556 242 C N 2.573 121.874 119.300 0.003 0.000 2.781 242 C HA 0.612 5.072 4.460 0.000 0.000 0.348 242 C C 1.294 176.297 174.990 0.023 0.000 1.051 242 C CA -0.096 58.930 59.018 0.013 0.000 1.347 242 C CB 0.194 27.935 27.740 0.002 0.000 1.846 242 C HN 1.091 nan 8.230 nan 0.000 0.473 243 G N 3.053 111.853 108.800 -0.001 0.000 3.329 243 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 243 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 243 G C 1.321 176.241 174.900 0.034 0.000 1.358 243 G CA 0.768 45.858 45.100 -0.017 0.000 0.856 243 G HN 1.318 nan 8.290 nan 0.000 0.551 244 A N -0.349 122.524 122.820 0.087 0.000 1.898 244 A HA 0.234 4.554 4.320 0.000 0.000 0.216 244 A C 2.083 179.734 177.584 0.111 0.000 1.181 244 A CA 2.267 54.373 52.037 0.115 0.000 0.620 244 A CB -0.646 18.403 19.000 0.082 0.000 0.819 244 A HN 1.367 nan 8.150 nan 0.000 0.442 245 Y N 1.295 121.591 120.300 -0.007 0.000 2.181 245 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 245 Y C 2.235 178.123 175.900 -0.020 0.000 1.146 245 Y CA 2.305 60.407 58.100 0.003 0.000 1.164 245 Y CB -0.094 38.366 38.460 -0.000 0.000 0.982 245 Y HN 0.285 nan 8.280 nan 0.000 0.515 246 K N -0.935 119.470 120.400 0.008 0.000 2.032 246 K HA -0.229 4.091 4.320 0.000 0.000 0.209 246 K C 1.870 178.338 176.600 -0.220 0.000 1.048 246 K CA 1.704 57.873 56.287 -0.196 0.000 0.927 246 K CB -0.723 31.561 32.500 -0.359 0.000 0.712 246 K HN 0.455 nan 8.250 nan 0.000 0.441 247 H N 0.912 119.925 119.070 -0.096 0.000 2.352 247 H HA -0.090 4.466 4.556 0.000 0.000 0.299 247 H C 2.362 177.637 175.328 -0.089 0.000 1.097 247 H CA 1.677 57.676 56.048 -0.083 0.000 1.311 247 H CB -0.110 29.616 29.762 -0.059 0.000 1.377 247 H HN 0.162 nan 8.280 nan 0.000 0.504 248 R N 0.917 121.423 120.500 0.010 0.000 2.096 248 R HA -0.043 4.297 4.340 0.000 0.000 0.235 248 R C 2.239 178.523 176.300 -0.027 0.000 1.127 248 R CA 1.257 57.325 56.100 -0.053 0.000 0.968 248 R CB -0.256 29.972 30.300 -0.120 0.000 0.861 248 R HN 0.229 nan 8.270 nan 0.000 0.440 249 A N -0.493 122.275 122.820 -0.087 0.000 2.209 249 A HA -0.055 4.265 4.320 0.000 0.000 0.212 249 A C 1.722 179.292 177.584 -0.023 0.000 1.158 249 A CA 1.376 53.401 52.037 -0.020 0.000 0.742 249 A CB -0.499 18.336 19.000 -0.274 0.000 0.790 249 A HN 0.577 nan 8.150 nan 0.000 0.472 250 T N -3.127 111.415 114.554 -0.021 0.000 3.069 250 T HA 0.235 4.585 4.350 0.000 0.000 0.252 250 T C 0.489 175.197 174.700 0.012 0.000 1.053 250 T CA -0.236 61.856 62.100 -0.013 0.000 0.964 250 T CB -0.118 68.740 68.868 -0.017 0.000 1.005 250 T HN 0.473 nan 8.240 nan 0.000 0.532 251 Q N 1.145 120.961 119.800 0.027 0.000 2.259 251 Q HA 0.503 4.843 4.340 0.000 0.000 0.249 251 Q C -0.478 175.546 176.000 0.040 0.000 0.914 251 Q CA -0.772 55.043 55.803 0.020 0.000 0.904 251 Q CB 1.309 30.048 28.738 0.001 0.000 1.213 251 Q HN 0.279 nan 8.270 nan 0.000 0.428 252 M N 3.542 123.159 119.600 0.028 0.000 2.252 252 M HA -0.077 4.403 4.480 0.000 0.000 0.348 252 M C -0.459 175.875 176.300 0.056 0.000 1.334 252 M CA 0.880 56.207 55.300 0.045 0.000 1.071 252 M CB 0.134 32.748 32.600 0.024 0.000 1.763 252 M HN 0.611 nan 8.290 nan 0.000 0.452 253 D N 2.393 122.855 120.400 0.103 0.000 2.837 253 D HA -0.231 4.409 4.640 0.000 0.000 0.230 253 D C 0.689 177.009 176.300 0.033 0.000 1.152 253 D CA 0.980 55.033 54.000 0.089 0.000 0.736 253 D CB -1.406 39.419 40.800 0.043 0.000 1.084 253 D HN 0.779 nan 8.370 nan 0.000 0.429 254 A N -1.080 121.783 122.820 0.071 0.000 2.014 254 A HA 0.172 4.492 4.320 0.000 0.000 0.218 254 A C 0.718 178.159 177.584 -0.238 0.000 1.163 254 A CA 0.834 52.836 52.037 -0.058 0.000 0.652 254 A CB 0.192 19.190 19.000 -0.002 0.000 0.808 254 A HN 0.194 nan 8.150 nan 0.000 0.449 255 F N -1.380 118.548 119.950 -0.037 0.000 2.611 255 F HA 0.554 5.081 4.527 0.000 0.000 0.324 255 F C 0.229 175.808 175.800 -0.368 0.000 1.061 255 F CA -0.813 57.133 58.000 -0.090 0.000 0.954 255 F CB 1.670 40.691 39.000 0.035 0.000 1.301 255 F HN 0.323 nan 8.300 nan 0.000 0.482 256 Q N -0.635 118.975 119.800 -0.317 0.000 2.626 256 Q HA 0.445 4.785 4.340 0.000 0.000 0.300 256 Q C -1.566 174.147 176.000 -0.479 0.000 0.988 256 Q CA -1.252 54.053 55.803 -0.830 0.000 0.761 256 Q CB 2.307 30.780 28.738 -0.441 0.000 1.494 256 Q HN 0.638 nan 8.270 nan 0.000 0.439 257 E N 0.859 120.829 120.200 -0.384 0.000 2.290 257 E HA 0.279 4.629 4.350 0.000 0.000 0.277 257 E C -1.068 175.557 176.600 0.043 0.000 1.035 257 E CA -0.278 56.145 56.400 0.039 0.000 0.873 257 E CB 0.747 30.560 29.700 0.188 0.000 1.029 257 E HN 0.430 nan 8.360 nan 0.000 0.419 258 R N 3.025 123.596 120.500 0.119 0.000 2.575 258 R HA 0.355 4.695 4.340 0.000 0.000 0.293 258 R C 0.787 177.120 176.300 0.055 0.000 0.983 258 R CA -0.098 56.045 56.100 0.072 0.000 0.887 258 R CB 1.635 31.979 30.300 0.074 0.000 1.184 258 R HN 0.512 nan 8.270 nan 0.000 0.445 259 V N 1.165 121.037 119.914 -0.070 0.000 2.453 259 V HA -0.001 4.119 4.120 0.000 0.000 0.247 259 V C 1.150 177.195 176.094 -0.082 0.000 1.048 259 V CA 2.408 64.569 62.300 -0.232 0.000 1.049 259 V CB -0.480 31.221 31.823 -0.204 0.000 0.672 259 V HN 0.783 nan 8.190 nan 0.000 0.457 260 S N 2.360 118.062 115.700 0.003 0.000 2.468 260 S HA 0.651 5.121 4.470 0.000 0.000 0.190 260 S C -1.914 172.759 174.600 0.121 0.000 1.445 260 S CA -1.388 56.847 58.200 0.058 0.000 1.084 260 S CB -0.204 63.013 63.200 0.028 0.000 1.175 260 S HN 0.510 nan 8.310 nan 0.000 0.484 261 P HA 0.598 nan 4.420 nan 0.000 0.281 261 P C 0.016 177.497 177.300 0.301 0.000 1.249 261 P CA -0.169 63.073 63.100 0.236 0.000 0.810 261 P CB 0.624 32.488 31.700 0.275 0.000 1.008 262 E N 1.305 121.642 120.200 0.229 0.000 2.371 262 E HA 0.060 4.410 4.350 0.000 0.000 0.257 262 E C 0.909 177.659 176.600 0.250 0.000 1.134 262 E CA -0.521 56.023 56.400 0.239 0.000 0.919 262 E CB -0.069 29.722 29.700 0.152 0.000 1.025 262 E HN 0.538 nan 8.360 nan 0.000 0.438 263 L N 1.692 123.075 121.223 0.268 0.000 2.081 263 L HA -0.023 4.317 4.340 0.000 0.000 0.212 263 L C 2.404 179.333 176.870 0.099 0.000 1.080 263 L CA 3.026 57.942 54.840 0.126 0.000 0.754 263 L CB -0.799 41.407 42.059 0.244 0.000 0.893 263 L HN 0.782 nan 8.230 nan 0.000 0.433 264 G N -1.698 107.189 108.800 0.145 0.000 2.559 264 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 264 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 264 G C 1.080 176.154 174.900 0.290 0.000 1.126 264 G CA 0.638 45.853 45.100 0.192 0.000 0.778 264 G HN 0.456 nan 8.290 nan 0.000 0.543 265 D N 0.189 120.727 120.400 0.229 0.000 2.339 265 D HA 0.041 4.681 4.640 0.000 0.000 0.217 265 D C 1.481 177.891 176.300 0.183 0.000 1.050 265 D CA 0.606 54.784 54.000 0.297 0.000 0.856 265 D CB 0.494 41.428 40.800 0.223 0.000 0.922 265 D HN 0.431 nan 8.370 nan 0.000 0.518 266 T N -2.851 111.740 114.554 0.060 0.000 2.937 266 T HA 0.397 4.747 4.350 0.000 0.000 0.283 266 T C 1.465 176.083 174.700 -0.136 0.000 1.012 266 T CA -0.721 61.313 62.100 -0.111 0.000 0.997 266 T CB 1.313 69.999 68.868 -0.303 0.000 1.136 266 T HN -0.194 nan 8.240 nan 0.000 0.551 267 L N -0.441 120.602 121.223 -0.301 0.000 2.275 267 L HA 0.077 4.417 4.340 0.000 0.000 0.215 267 L C 2.067 178.877 176.870 -0.100 0.000 1.119 267 L CA 0.877 55.563 54.840 -0.257 0.000 0.790 267 L CB -0.644 41.228 42.059 -0.312 0.000 0.919 267 L HN 0.576 nan 8.230 nan 0.000 0.443 268 F N 0.065 120.078 119.950 0.106 0.000 2.216 268 F HA -0.160 4.367 4.527 0.000 0.000 0.300 268 F C 2.542 178.517 175.800 0.292 0.000 1.085 268 F CA 0.842 58.988 58.000 0.244 0.000 1.326 268 F CB -1.064 38.059 39.000 0.204 0.000 1.027 268 F HN 0.030 nan 8.300 nan 0.000 0.497 269 A N 0.565 123.528 122.820 0.238 0.000 2.015 269 A HA -0.095 4.226 4.320 0.000 0.000 0.219 269 A C 2.064 179.456 177.584 -0.320 0.000 1.163 269 A CA 1.530 53.565 52.037 -0.003 0.000 0.646 269 A CB -1.068 17.928 19.000 -0.007 0.000 0.806 269 A HN 0.413 nan 8.150 nan 0.000 0.448 270 L N -3.916 117.102 121.223 -0.342 0.000 2.376 270 L HA 0.177 4.517 4.340 0.000 0.000 0.219 270 L C 1.423 178.001 176.870 -0.487 0.000 1.133 270 L CA 1.421 55.949 54.840 -0.519 0.000 0.816 270 L CB -1.178 40.705 42.059 -0.293 0.000 0.933 270 L HN 0.157 nan 8.230 nan 0.000 0.449 271 F N 0.083 119.993 119.950 -0.067 0.000 2.789 271 F HA 0.256 4.783 4.527 0.000 0.000 0.300 271 F C 1.456 177.289 175.800 0.056 0.000 1.132 271 F CA -0.050 57.927 58.000 -0.039 0.000 1.404 271 F CB -0.282 38.700 39.000 -0.029 0.000 1.114 271 F HN -0.011 nan 8.300 nan 0.000 0.584 272 K N 1.965 122.404 120.400 0.066 0.000 2.111 272 K HA 0.191 4.511 4.320 0.000 0.000 0.249 272 K C -0.720 175.812 176.600 -0.113 0.000 1.157 272 K CA 0.116 56.327 56.287 -0.127 0.000 1.048 272 K CB -0.374 31.744 32.500 -0.637 0.000 1.498 272 K HN 0.041 nan 8.250 nan 0.000 0.344 273 T N 0.608 115.152 114.554 -0.017 0.000 2.906 273 T HA 0.163 4.513 4.350 0.000 0.000 0.295 273 T C 1.235 175.941 174.700 0.009 0.000 1.061 273 T CA -0.703 61.392 62.100 -0.009 0.000 1.000 273 T CB 1.732 70.612 68.868 0.021 0.000 1.103 273 T HN 0.430 nan 8.240 nan 0.000 0.486 274 Q N 0.707 120.514 119.800 0.013 0.000 2.135 274 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 274 Q C 1.871 177.884 176.000 0.022 0.000 0.981 274 Q CA 2.496 58.310 55.803 0.019 0.000 0.856 274 Q CB -1.036 27.712 28.738 0.017 0.000 0.902 274 Q HN 0.917 nan 8.270 nan 0.000 0.425 275 E N -0.627 119.581 120.200 0.013 0.000 2.331 275 E HA -0.072 4.278 4.350 0.000 0.000 0.199 275 E C 1.405 177.986 176.600 -0.030 0.000 1.008 275 E CA 0.966 57.365 56.400 -0.002 0.000 0.843 275 E CB -0.050 29.643 29.700 -0.011 0.000 0.761 275 E HN 0.691 nan 8.360 nan 0.000 0.507 276 L N 0.291 121.491 121.223 -0.038 0.000 2.766 276 L HA 0.263 4.603 4.340 0.000 0.000 0.242 276 L C 0.063 177.007 176.870 0.123 0.000 1.136 276 L CA -0.280 54.516 54.840 -0.073 0.000 0.933 276 L CB 0.401 42.332 42.059 -0.212 0.000 1.241 276 L HN 0.006 nan 8.230 nan 0.000 0.522 277 L N -0.698 120.583 121.223 0.098 0.000 2.332 277 L HA 0.413 4.753 4.340 0.000 0.000 0.269 277 L C -0.136 176.782 176.870 0.079 0.000 1.016 277 L CA -1.059 53.846 54.840 0.109 0.000 0.809 277 L CB 0.841 42.958 42.059 0.096 0.000 1.280 277 L HN -0.021 nan 8.230 nan 0.000 0.447 278 D N -0.301 120.138 120.400 0.065 0.000 2.511 278 D HA 0.188 4.828 4.640 0.000 0.000 0.276 278 D C 0.842 177.163 176.300 0.035 0.000 1.220 278 D CA 0.198 54.222 54.000 0.040 0.000 1.077 278 D CB -0.062 40.752 40.800 0.024 0.000 1.126 278 D HN 0.625 nan 8.370 nan 0.000 0.583 279 D N -1.361 119.053 120.400 0.024 0.000 2.106 279 D HA -0.195 4.445 4.640 0.000 0.000 0.191 279 D C 2.085 178.400 176.300 0.024 0.000 0.997 279 D CA 3.304 57.316 54.000 0.021 0.000 0.834 279 D CB -1.020 39.788 40.800 0.015 0.000 0.956 279 D HN 0.608 nan 8.370 nan 0.000 0.448 280 R N -0.416 120.100 120.500 0.026 0.000 2.328 280 R HA 0.502 4.842 4.340 0.000 0.000 0.206 280 R C 2.298 178.622 176.300 0.039 0.000 0.990 280 R CA 1.296 57.413 56.100 0.029 0.000 1.085 280 R CB -1.441 28.875 30.300 0.026 0.000 0.998 280 R HN 1.691 nan 8.270 nan 0.000 0.484 281 G N -1.231 107.597 108.800 0.046 0.000 2.162 281 G HA2 -0.211 3.749 3.960 0.000 0.000 0.260 281 G HA3 -0.211 3.749 3.960 0.000 0.000 0.260 281 G C 0.294 175.252 174.900 0.098 0.000 0.976 281 G CA 0.315 45.450 45.100 0.057 0.000 0.655 281 G HN 0.707 nan 8.290 nan 0.000 0.533 282 V N 1.544 121.521 119.914 0.105 0.000 2.509 282 V HA 0.488 4.608 4.120 0.000 0.000 0.284 282 V C 1.282 177.473 176.094 0.161 0.000 1.047 282 V CA -0.649 61.742 62.300 0.151 0.000 0.952 282 V CB 1.783 33.670 31.823 0.107 0.000 0.988 282 V HN 0.402 nan 8.190 nan 0.000 0.469 283 I N 4.983 125.698 120.570 0.243 0.000 2.683 283 I HA 0.058 4.228 4.170 0.000 0.000 0.286 283 I C -0.014 176.148 176.117 0.074 0.000 1.175 283 I CA -0.368 61.053 61.300 0.201 0.000 1.429 283 I CB 0.435 38.583 38.000 0.247 0.000 1.371 283 I HN 0.394 nan 8.210 nan 0.000 0.569 284 L N 7.918 129.169 121.223 0.047 0.000 2.506 284 L HA -0.024 4.317 4.340 0.000 0.000 0.281 284 L C 1.642 178.362 176.870 -0.251 0.000 1.228 284 L CA 0.668 55.438 54.840 -0.117 0.000 0.850 284 L CB -0.094 41.844 42.059 -0.203 0.000 1.110 284 L HN 0.684 nan 8.230 nan 0.000 0.496 285 E N 2.206 122.183 120.200 -0.372 0.000 2.110 285 E HA -0.154 4.196 4.350 0.000 0.000 0.193 285 E C 1.967 177.923 176.600 -1.074 0.000 0.988 285 E CA 0.885 56.929 56.400 -0.593 0.000 0.804 285 E CB 0.109 29.469 29.700 -0.567 0.000 0.745 285 E HN 0.531 nan 8.360 nan 0.000 0.458 286 V N 1.312 120.608 119.914 -1.030 0.000 2.490 286 V HA -0.219 3.901 4.120 0.000 0.000 0.250 286 V C 1.979 177.774 176.094 -0.499 0.000 1.061 286 V CA 1.753 63.486 62.300 -0.945 0.000 1.064 286 V CB -0.339 31.076 31.823 -0.680 0.000 0.670 286 V HN 0.274 nan 8.190 nan 0.000 0.461 287 H N 0.127 119.000 119.070 -0.328 0.000 2.403 287 H HA 0.181 4.737 4.556 0.000 0.000 0.298 287 H C 2.354 177.478 175.328 -0.339 0.000 1.059 287 H CA 1.242 57.131 56.048 -0.265 0.000 1.363 287 H CB -0.711 28.930 29.762 -0.201 0.000 1.410 287 H HN 0.529 nan 8.280 nan 0.000 0.528 288 A N 1.356 124.045 122.820 -0.219 0.000 1.892 288 A HA -0.198 4.122 4.320 0.000 0.000 0.218 288 A C 1.988 179.576 177.584 0.006 0.000 1.188 288 A CA 1.519 53.444 52.037 -0.187 0.000 0.631 288 A CB -1.024 17.991 19.000 0.024 0.000 0.822 288 A HN 0.364 nan 8.150 nan 0.000 0.447 289 W N -0.387 120.861 121.300 -0.087 0.000 2.342 289 W HA -0.100 4.560 4.660 0.000 0.000 0.297 289 W C 2.774 179.220 176.519 -0.123 0.000 1.213 289 W CA 0.748 58.051 57.345 -0.071 0.000 1.251 289 W CB -1.327 28.096 29.460 -0.063 0.000 1.136 289 W HN 0.468 nan 8.180 nan 0.000 0.526 290 A N 0.072 122.909 122.820 0.029 0.000 1.898 290 A HA -0.132 4.188 4.320 0.000 0.000 0.216 290 A C 2.160 179.586 177.584 -0.263 0.000 1.181 290 A CA 1.576 53.544 52.037 -0.115 0.000 0.620 290 A CB -0.980 17.918 19.000 -0.170 0.000 0.819 290 A HN 0.244 nan 8.150 nan 0.000 0.442 291 L N -0.232 120.715 121.223 -0.460 0.000 2.046 291 L HA -0.190 4.150 4.340 0.000 0.000 0.208 291 L C 2.065 178.781 176.870 -0.257 0.000 1.077 291 L CA 1.409 55.859 54.840 -0.650 0.000 0.747 291 L CB -0.789 40.295 42.059 -1.625 0.000 0.896 291 L HN 0.346 nan 8.230 nan 0.000 0.432 292 D N 0.651 121.052 120.400 0.001 0.000 2.104 292 D HA -0.197 4.443 4.640 0.000 0.000 0.194 292 D C 2.251 178.599 176.300 0.081 0.000 0.994 292 D CA 1.620 55.719 54.000 0.166 0.000 0.830 292 D CB -0.097 40.817 40.800 0.190 0.000 0.959 292 D HN 0.358 nan 8.370 nan 0.000 0.452 293 A N 1.361 124.198 122.820 0.029 0.000 1.865 293 A HA -0.184 4.136 4.320 0.000 0.000 0.217 293 A C 2.251 179.847 177.584 0.020 0.000 1.191 293 A CA 1.318 53.361 52.037 0.011 0.000 0.623 293 A CB -0.961 18.033 19.000 -0.010 0.000 0.826 293 A HN 0.219 nan 8.150 nan 0.000 0.444 294 L N -0.707 120.515 121.223 -0.001 0.000 2.013 294 L HA -0.220 4.120 4.340 0.000 0.000 0.212 294 L C 2.572 179.516 176.870 0.123 0.000 1.073 294 L CA 2.790 57.644 54.840 0.023 0.000 0.753 294 L CB -0.508 41.539 42.059 -0.020 0.000 0.890 294 L HN 0.580 nan 8.230 nan 0.000 0.432 295 M N -1.546 118.197 119.600 0.238 0.000 2.082 295 M HA -0.268 4.212 4.480 0.000 0.000 0.258 295 M C 2.175 178.585 176.300 0.183 0.000 1.071 295 M CA 2.354 57.849 55.300 0.326 0.000 1.103 295 M CB -0.391 32.399 32.600 0.317 0.000 1.307 295 M HN 0.356 nan 8.290 nan 0.000 0.409 296 L N 0.481 121.777 121.223 0.120 0.000 2.079 296 L HA -0.193 4.147 4.340 0.000 0.000 0.210 296 L C 2.004 178.910 176.870 0.061 0.000 1.081 296 L CA 1.957 56.844 54.840 0.077 0.000 0.752 296 L CB -0.507 41.582 42.059 0.049 0.000 0.896 296 L HN 0.280 nan 8.230 nan 0.000 0.433 297 K N -1.475 118.954 120.400 0.049 0.000 2.365 297 K HA -0.033 4.287 4.320 0.000 0.000 0.199 297 K C 1.437 178.050 176.600 0.021 0.000 1.045 297 K CA 0.456 56.761 56.287 0.029 0.000 0.962 297 K CB 0.071 32.574 32.500 0.005 0.000 0.759 297 K HN 0.169 nan 8.250 nan 0.000 0.469 298 L N -0.130 121.110 121.223 0.029 0.000 2.513 298 L HA 0.133 4.473 4.340 0.000 0.000 0.222 298 L C 1.812 178.698 176.870 0.027 0.000 1.096 298 L CA 0.819 55.659 54.840 -0.001 0.000 0.857 298 L CB -0.324 41.733 42.059 -0.003 0.000 1.026 298 L HN -0.082 nan 8.230 nan 0.000 0.469 299 R N 0.797 121.333 120.500 0.059 0.000 2.162 299 R HA -0.183 4.157 4.340 0.000 0.000 0.245 299 R C 1.394 177.723 176.300 0.049 0.000 1.129 299 R CA 1.865 58.003 56.100 0.063 0.000 0.940 299 R CB -0.326 30.012 30.300 0.062 0.000 0.875 299 R HN 0.359 nan 8.270 nan 0.000 0.437 300 N N 0.227 118.958 118.700 0.053 0.000 2.421 300 N HA -0.010 4.731 4.740 0.000 0.000 0.201 300 N C -0.589 174.959 175.510 0.063 0.000 1.198 300 N CA 0.334 53.421 53.050 0.061 0.000 0.838 300 N CB 0.264 38.797 38.487 0.077 0.000 1.011 300 N HN 0.225 nan 8.380 nan 0.000 0.463 301 L N 1.330 122.572 121.223 0.031 0.000 2.259 301 L HA 0.214 4.554 4.340 0.000 0.000 0.288 301 L C 0.240 177.110 176.870 0.001 0.000 1.051 301 L CA -0.292 54.556 54.840 0.013 0.000 0.824 301 L CB 0.571 42.582 42.059 -0.080 0.000 1.206 301 L HN -0.043 nan 8.230 nan 0.000 0.429 302 N N 2.453 121.179 118.700 0.042 0.000 2.401 302 N HA 0.166 4.906 4.740 0.000 0.000 0.255 302 N C -0.686 174.763 175.510 -0.103 0.000 1.110 302 N CA -0.266 52.771 53.050 -0.022 0.000 0.949 302 N CB 1.316 39.876 38.487 0.120 0.000 1.110 302 N HN 0.250 nan 8.380 nan 0.000 0.490 303 V N 5.081 124.804 119.914 -0.318 0.000 2.481 303 V HA 0.562 4.682 4.120 0.000 0.000 0.286 303 V C -0.985 174.769 176.094 -0.567 0.000 1.042 303 V CA -0.082 62.044 62.300 -0.289 0.000 0.928 303 V CB 0.486 32.144 31.823 -0.276 0.000 0.986 303 V HN 0.522 nan 8.190 nan 0.000 0.462 304 F N 2.826 122.811 119.950 0.059 0.000 2.629 304 F HA 0.657 5.184 4.527 0.000 0.000 0.316 304 F C 0.280 176.128 175.800 0.080 0.000 1.081 304 F CA -0.548 57.505 58.000 0.088 0.000 0.954 304 F CB 2.377 41.422 39.000 0.076 0.000 1.337 304 F HN 0.349 nan 8.300 nan 0.000 0.474 305 S N 0.295 116.176 115.700 0.301 0.000 2.600 305 S HA 0.936 5.406 4.470 0.000 0.000 0.300 305 S C -1.336 173.360 174.600 0.159 0.000 1.087 305 S CA -0.637 57.681 58.200 0.196 0.000 0.965 305 S CB 1.976 65.291 63.200 0.192 0.000 1.089 305 S HN 0.820 nan 8.310 nan 0.000 0.496 306 A N 1.674 124.555 122.820 0.103 0.000 2.513 306 A HA 0.566 4.886 4.320 0.000 0.000 0.296 306 A C -1.609 176.001 177.584 0.043 0.000 1.052 306 A CA -0.732 51.346 52.037 0.069 0.000 0.714 306 A CB 1.209 20.240 19.000 0.051 0.000 1.279 306 A HN 0.753 nan 8.150 nan 0.000 0.397 307 D N 2.022 122.447 120.400 0.042 0.000 2.249 307 D HA 0.475 5.115 4.640 0.000 0.000 0.246 307 D C 0.082 176.390 176.300 0.013 0.000 1.114 307 D CA -0.242 53.776 54.000 0.030 0.000 0.854 307 D CB 0.659 41.483 40.800 0.040 0.000 1.132 307 D HN 0.353 nan 8.370 nan 0.000 0.461 308 L N 3.723 124.944 121.223 -0.004 0.000 3.034 308 L HA 0.156 4.496 4.340 0.000 0.000 0.245 308 L C 1.411 178.278 176.870 -0.005 0.000 1.295 308 L CA -0.160 54.674 54.840 -0.010 0.000 1.068 308 L CB -0.002 42.039 42.059 -0.029 0.000 1.426 308 L HN 0.471 nan 8.230 nan 0.000 0.531 309 S N 0.143 115.846 115.700 0.005 0.000 2.383 309 S HA -0.019 4.451 4.470 0.000 0.000 0.227 309 S C 1.423 176.029 174.600 0.010 0.000 1.026 309 S CA 0.971 59.177 58.200 0.011 0.000 0.981 309 S CB 0.100 63.310 63.200 0.017 0.000 0.818 309 S HN 0.660 nan 8.310 nan 0.000 0.472 310 G N 1.104 109.909 108.800 0.008 0.000 2.516 310 G HA2 0.358 4.318 3.960 0.000 0.000 0.276 310 G HA3 0.358 4.318 3.960 0.000 0.000 0.276 310 G C 0.194 175.096 174.900 0.004 0.000 1.390 310 G CA -0.071 45.032 45.100 0.006 0.000 1.050 310 G HN 0.425 nan 8.290 nan 0.000 0.519 311 T N -1.561 112.995 114.554 0.003 0.000 2.802 311 T HA 0.243 4.593 4.350 0.000 0.000 0.305 311 T C -1.508 173.190 174.700 -0.003 0.000 1.053 311 T CA -0.761 61.340 62.100 0.001 0.000 1.058 311 T CB 1.224 70.092 68.868 -0.000 0.000 0.988 311 T HN 0.153 nan 8.240 nan 0.000 0.539 312 P HA -0.132 nan 4.420 nan 0.000 0.216 312 P C 2.069 179.358 177.300 -0.018 0.000 1.157 312 P CA 2.194 65.286 63.100 -0.013 0.000 0.880 312 P CB -0.233 31.457 31.700 -0.016 0.000 0.791 313 R N 0.171 120.661 120.500 -0.016 0.000 2.115 313 R HA -0.156 4.184 4.340 0.000 0.000 0.230 313 R C 2.182 178.474 176.300 -0.014 0.000 1.111 313 R CA 1.848 57.937 56.100 -0.018 0.000 0.976 313 R CB -2.055 28.236 30.300 -0.015 0.000 0.870 313 R HN 0.390 nan 8.270 nan 0.000 0.445 314 Q N -0.622 119.173 119.800 -0.009 0.000 2.123 314 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 314 Q C 2.517 178.513 176.000 -0.006 0.000 0.966 314 Q CA 1.456 57.256 55.803 -0.005 0.000 0.845 314 Q CB -0.334 28.403 28.738 -0.001 0.000 0.907 314 Q HN 0.677 nan 8.270 nan 0.000 0.439 315 C N 0.416 119.712 119.300 -0.007 0.000 2.429 315 C HA -0.135 4.325 4.460 0.000 0.000 0.277 315 C C 2.887 177.871 174.990 -0.010 0.000 1.262 315 C CA 0.859 59.874 59.018 -0.006 0.000 1.733 315 C CB -1.142 26.593 27.740 -0.008 0.000 2.010 315 C HN 0.626 nan 8.230 nan 0.000 0.483 316 A N 0.558 123.367 122.820 -0.017 0.000 1.902 316 A HA 0.027 4.347 4.320 0.000 0.000 0.217 316 A C 2.371 179.943 177.584 -0.020 0.000 1.181 316 A CA 2.163 54.186 52.037 -0.022 0.000 0.623 316 A CB -0.927 18.053 19.000 -0.033 0.000 0.818 316 A HN 0.588 nan 8.150 nan 0.000 0.443 317 A N -0.563 122.247 122.820 -0.016 0.000 1.902 317 A HA -0.020 4.300 4.320 0.000 0.000 0.217 317 A C 2.243 179.819 177.584 -0.013 0.000 1.181 317 A CA 1.812 53.841 52.037 -0.014 0.000 0.623 317 A CB -1.006 17.988 19.000 -0.010 0.000 0.818 317 A HN 0.390 nan 8.150 nan 0.000 0.443 318 V N -0.297 119.612 119.914 -0.008 0.000 2.255 318 V HA -0.272 3.848 4.120 0.000 0.000 0.247 318 V C 2.603 178.689 176.094 -0.014 0.000 1.051 318 V CA 2.224 64.522 62.300 -0.004 0.000 1.018 318 V CB -0.826 31.000 31.823 0.006 0.000 0.641 318 V HN 0.394 nan 8.190 nan 0.000 0.445 319 V N 0.030 119.935 119.914 -0.016 0.000 2.343 319 V HA -0.230 3.890 4.120 0.000 0.000 0.247 319 V C 2.944 179.006 176.094 -0.053 0.000 1.051 319 V CA 2.366 64.648 62.300 -0.030 0.000 1.036 319 V CB -1.253 30.563 31.823 -0.012 0.000 0.654 319 V HN 0.759 nan 8.190 nan 0.000 0.451 320 E N 0.427 120.603 120.200 -0.040 0.000 2.160 320 E HA -0.298 4.052 4.350 0.000 0.000 0.195 320 E C 2.352 178.921 176.600 -0.052 0.000 0.991 320 E CA 1.755 58.128 56.400 -0.044 0.000 0.810 320 E CB -0.904 28.778 29.700 -0.031 0.000 0.742 320 E HN 0.845 nan 8.360 nan 0.000 0.466 321 S N -0.113 115.561 115.700 -0.044 0.000 2.442 321 S HA -0.025 4.445 4.470 0.000 0.000 0.236 321 S C 2.052 176.613 174.600 -0.065 0.000 1.007 321 S CA 1.207 59.383 58.200 -0.040 0.000 0.965 321 S CB -0.360 62.828 63.200 -0.020 0.000 0.773 321 S HN 0.522 nan 8.310 nan 0.000 0.504 322 L N 0.510 121.664 121.223 -0.115 0.000 2.492 322 L HA 0.205 4.545 4.340 0.000 0.000 0.223 322 L C 2.399 179.115 176.870 -0.257 0.000 1.132 322 L CA 0.132 54.840 54.840 -0.219 0.000 0.850 322 L CB -0.510 41.328 42.059 -0.370 0.000 0.966 322 L HN 0.295 nan 8.230 nan 0.000 0.454 323 L N 0.822 121.945 121.223 -0.168 0.000 2.010 323 L HA -0.232 4.108 4.340 0.000 0.000 0.219 323 L C -0.282 176.529 176.870 -0.098 0.000 1.077 323 L CA 2.049 56.811 54.840 -0.130 0.000 0.773 323 L CB -1.340 40.673 42.059 -0.077 0.000 0.892 323 L HN 0.290 nan 8.230 nan 0.000 0.436 324 P HA -0.072 nan 4.420 nan 0.000 0.242 324 P C 1.232 178.527 177.300 -0.008 0.000 1.197 324 P CA 0.955 64.039 63.100 -0.027 0.000 0.765 324 P CB 0.085 31.777 31.700 -0.013 0.000 0.936 325 L N -3.213 117.992 121.223 -0.030 0.000 2.567 325 L HA 0.215 4.555 4.340 0.000 0.000 0.225 325 L C 1.188 178.126 176.870 0.114 0.000 1.119 325 L CA 0.068 54.941 54.840 0.055 0.000 0.871 325 L CB -0.421 41.703 42.059 0.109 0.000 1.036 325 L HN 0.025 nan 8.230 nan 0.000 0.459 326 M N -0.483 119.115 119.600 -0.004 0.000 2.368 326 M HA 0.225 4.706 4.480 0.000 0.000 0.311 326 M C 0.441 176.792 176.300 0.086 0.000 1.168 326 M CA -0.156 55.175 55.300 0.051 0.000 1.044 326 M CB 1.649 34.189 32.600 -0.099 0.000 1.506 326 M HN -0.074 nan 8.290 nan 0.000 0.475 327 S N 1.022 116.792 115.700 0.116 0.000 2.576 327 S HA 0.311 4.781 4.470 0.000 0.000 0.276 327 S C -0.318 174.300 174.600 0.030 0.000 1.339 327 S CA -0.765 57.480 58.200 0.074 0.000 1.039 327 S CB 0.386 63.634 63.200 0.080 0.000 0.902 327 S HN 0.688 nan 8.310 nan 0.000 0.516 328 S N 0.993 116.708 115.700 0.026 0.000 2.526 328 S HA 0.755 5.225 4.470 0.000 0.000 0.293 328 S C -0.349 174.264 174.600 0.022 0.000 1.092 328 S CA -0.947 57.260 58.200 0.012 0.000 0.980 328 S CB 1.531 64.739 63.200 0.013 0.000 1.048 328 S HN 0.723 nan 8.310 nan 0.000 0.483 329 T N 0.240 114.807 114.554 0.021 0.000 2.952 329 T HA 0.689 5.039 4.350 0.000 0.000 0.286 329 T C -0.360 174.368 174.700 0.048 0.000 1.024 329 T CA -1.045 61.080 62.100 0.042 0.000 1.029 329 T CB 0.596 69.503 68.868 0.065 0.000 1.094 329 T HN 0.636 nan 8.240 nan 0.000 0.515 330 L N 2.035 123.289 121.223 0.051 0.000 2.265 330 L HA 0.571 4.911 4.340 0.000 0.000 0.289 330 L C 0.410 177.314 176.870 0.056 0.000 1.033 330 L CA -0.624 54.246 54.840 0.050 0.000 0.814 330 L CB 1.458 43.542 42.059 0.042 0.000 1.203 330 L HN 0.754 nan 8.230 nan 0.000 0.423 331 S N 1.178 116.913 115.700 0.057 0.000 2.704 331 S HA 0.508 4.978 4.470 0.000 0.000 0.305 331 S C -0.931 173.700 174.600 0.052 0.000 1.107 331 S CA -0.784 57.448 58.200 0.053 0.000 0.993 331 S CB 1.608 64.843 63.200 0.058 0.000 1.110 331 S HN 0.725 nan 8.310 nan 0.000 0.534 332 D N 0.282 120.711 120.400 0.048 0.000 2.388 332 D HA 0.228 4.868 4.640 0.000 0.000 0.254 332 D C 0.810 177.165 176.300 0.091 0.000 1.111 332 D CA -0.644 53.404 54.000 0.079 0.000 0.993 332 D CB 0.101 40.947 40.800 0.077 0.000 1.118 332 D HN 0.391 nan 8.370 nan 0.000 0.502 333 F N 0.283 120.242 119.950 0.014 0.000 2.161 333 F HA -0.171 4.356 4.527 0.000 0.000 0.300 333 F C 2.305 178.113 175.800 0.013 0.000 1.089 333 F CA 2.704 60.713 58.000 0.014 0.000 1.282 333 F CB -0.621 38.386 39.000 0.012 0.000 1.010 333 F HN 0.539 nan 8.300 nan 0.000 0.485 334 D N -1.220 119.274 120.400 0.157 0.000 2.144 334 D HA -0.130 4.510 4.640 0.000 0.000 0.200 334 D C 2.196 178.473 176.300 -0.038 0.000 0.978 334 D CA 1.405 55.451 54.000 0.076 0.000 0.833 334 D CB -0.884 39.978 40.800 0.103 0.000 0.961 334 D HN 0.401 nan 8.370 nan 0.000 0.470 335 S N -0.235 115.440 115.700 -0.041 0.000 2.371 335 S HA 0.181 4.651 4.470 0.000 0.000 0.224 335 S C 2.643 177.190 174.600 -0.088 0.000 1.029 335 S CA 1.005 59.165 58.200 -0.067 0.000 0.978 335 S CB -0.125 63.045 63.200 -0.051 0.000 0.833 335 S HN 0.747 nan 8.310 nan 0.000 0.466 336 A N 1.118 123.866 122.820 -0.119 0.000 2.015 336 A HA -0.014 4.306 4.320 0.000 0.000 0.219 336 A C 2.266 179.732 177.584 -0.197 0.000 1.163 336 A CA 1.535 53.491 52.037 -0.135 0.000 0.646 336 A CB -0.644 18.262 19.000 -0.156 0.000 0.806 336 A HN 0.413 nan 8.150 nan 0.000 0.448 337 S N -0.326 115.192 115.700 -0.303 0.000 2.368 337 S HA 0.027 4.497 4.470 0.000 0.000 0.224 337 S C 2.312 176.854 174.600 -0.097 0.000 1.029 337 S CA 0.990 59.043 58.200 -0.245 0.000 0.988 337 S CB -0.351 62.684 63.200 -0.275 0.000 0.838 337 S HN 0.777 nan 8.310 nan 0.000 0.462 338 A N 1.360 124.139 122.820 -0.069 0.000 1.933 338 A HA -0.028 4.292 4.320 0.000 0.000 0.218 338 A C 2.079 179.682 177.584 0.033 0.000 1.175 338 A CA 1.162 53.191 52.037 -0.013 0.000 0.628 338 A CB -0.703 18.271 19.000 -0.044 0.000 0.814 338 A HN 0.456 nan 8.150 nan 0.000 0.444 339 L N -0.942 120.293 121.223 0.019 0.000 2.083 339 L HA -0.204 4.136 4.340 0.000 0.000 0.209 339 L C 2.571 179.509 176.870 0.113 0.000 1.083 339 L CA 1.654 56.567 54.840 0.122 0.000 0.752 339 L CB -0.457 41.681 42.059 0.131 0.000 0.899 339 L HN 0.447 nan 8.230 nan 0.000 0.433 340 E N -0.433 119.773 120.200 0.010 0.000 2.106 340 E HA -0.188 4.162 4.350 0.000 0.000 0.192 340 E C 2.353 178.929 176.600 -0.040 0.000 0.984 340 E CA 0.816 57.191 56.400 -0.042 0.000 0.806 340 E CB 0.031 29.691 29.700 -0.067 0.000 0.750 340 E HN 0.321 nan 8.360 nan 0.000 0.458 341 R N 0.232 120.731 120.500 -0.002 0.000 2.081 341 R HA -0.098 4.242 4.340 0.000 0.000 0.235 341 R C 2.369 178.694 176.300 0.042 0.000 1.131 341 R CA 1.054 57.164 56.100 0.017 0.000 0.960 341 R CB -0.297 30.027 30.300 0.039 0.000 0.856 341 R HN 0.122 nan 8.270 nan 0.000 0.436 342 A N 1.242 124.136 122.820 0.123 0.000 1.883 342 A HA -0.181 4.139 4.320 0.000 0.000 0.217 342 A C 2.364 179.991 177.584 0.071 0.000 1.186 342 A CA 1.930 54.108 52.037 0.235 0.000 0.624 342 A CB -0.693 18.600 19.000 0.489 0.000 0.822 342 A HN 0.421 nan 8.150 nan 0.000 0.444 343 A N -0.719 121.917 122.820 -0.307 0.000 1.930 343 A HA 0.051 4.371 4.320 0.000 0.000 0.217 343 A C 2.472 179.870 177.584 -0.309 0.000 1.175 343 A CA 2.587 54.155 52.037 -0.782 0.000 0.627 343 A CB -0.922 17.458 19.000 -1.032 0.000 0.815 343 A HN 0.738 nan 8.150 nan 0.000 0.443 344 R N -0.860 119.539 120.500 -0.167 0.000 2.070 344 R HA -0.107 4.233 4.340 0.000 0.000 0.233 344 R C 2.326 178.594 176.300 -0.054 0.000 1.137 344 R CA 2.443 58.487 56.100 -0.094 0.000 0.945 344 R CB -2.174 28.089 30.300 -0.062 0.000 0.845 344 R HN 0.529 nan 8.270 nan 0.000 0.430 345 T N 0.067 114.613 114.554 -0.014 0.000 2.635 345 T HA -0.137 4.213 4.350 0.000 0.000 0.267 345 T C 1.748 176.474 174.700 0.043 0.000 1.040 345 T CA 1.595 63.704 62.100 0.016 0.000 1.156 345 T CB -0.442 68.454 68.868 0.046 0.000 0.863 345 T HN 0.459 nan 8.240 nan 0.000 0.430 346 F N 1.922 121.815 119.950 -0.095 0.000 2.134 346 F HA -0.091 4.436 4.527 0.000 0.000 0.299 346 F C 2.452 178.182 175.800 -0.117 0.000 1.097 346 F CA 0.970 58.922 58.000 -0.080 0.000 1.264 346 F CB -0.118 38.884 39.000 0.004 0.000 1.001 346 F HN 0.136 nan 8.300 nan 0.000 0.479 347 N N 0.246 118.906 118.700 -0.067 0.000 2.244 347 N HA -0.146 4.594 4.740 0.000 0.000 0.183 347 N C 1.901 177.334 175.510 -0.128 0.000 1.016 347 N CA 1.108 54.090 53.050 -0.115 0.000 0.866 347 N CB -0.273 38.167 38.487 -0.079 0.000 0.980 347 N HN 0.340 nan 8.380 nan 0.000 0.430 348 A N 1.477 124.233 122.820 -0.107 0.000 1.897 348 A HA -0.090 4.230 4.320 0.000 0.000 0.215 348 A C 1.942 179.447 177.584 -0.131 0.000 1.181 348 A CA 1.109 53.087 52.037 -0.098 0.000 0.620 348 A CB -0.189 18.770 19.000 -0.069 0.000 0.821 348 A HN 0.272 nan 8.150 nan 0.000 0.443 349 E N -1.183 118.913 120.200 -0.174 0.000 2.318 349 E HA 0.051 4.401 4.350 0.000 0.000 0.193 349 E C 1.126 177.556 176.600 -0.283 0.000 0.998 349 E CA 0.349 56.629 56.400 -0.201 0.000 0.859 349 E CB 0.028 29.629 29.700 -0.165 0.000 0.812 349 E HN 0.427 nan 8.360 nan 0.000 0.492 350 M N 0.311 119.671 119.600 -0.400 0.000 2.371 350 M HA 0.149 4.629 4.480 0.000 0.000 0.246 350 M C 0.948 177.073 176.300 -0.291 0.000 1.103 350 M CA 0.142 55.162 55.300 -0.466 0.000 1.010 350 M CB 0.074 32.154 32.600 -0.867 0.000 1.457 350 M HN -0.128 nan 8.290 nan 0.000 0.486 351 G N 1.040 109.718 108.800 -0.203 0.000 2.365 351 G HA2 0.386 4.346 3.960 0.000 0.000 0.249 351 G HA3 0.386 4.346 3.960 0.000 0.000 0.249 351 G C 0.405 175.247 174.900 -0.096 0.000 1.288 351 G CA -0.140 44.888 45.100 -0.121 0.000 0.887 351 G HN 0.204 nan 8.290 nan 0.000 0.524 352 V N 0.000 119.878 119.914 -0.061 0.000 2.409 352 V HA 0.000 4.120 4.120 0.000 0.000 0.244 352 V CA 0.000 62.277 62.300 -0.038 0.000 1.235 352 V CB 0.000 31.802 31.823 -0.035 0.000 1.184 352 V HN 0.000 nan 8.190 nan 0.000 0.556