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 2zgi_1_D DATA FIRST_RESID 2 DATA SEQUENCE RLLNGTPLAL ALPEAFLYHG ASVFTTLRAE GGRPLWLEEH LARLRRHALA DATA SEQUENCE LGLSYPGDEA FLEDLEALLR AFPKAPcLRL RFTVGEGVRL SEARPYAPLP DATA SEQUENCE LSLYREGVRV RLTGYRVHPD LARYKTGNYL PYRLALEEAR KEGAFEGLLL DATA SEQUENCE DAFGHVVDGS RTSPLLFREG TLYLLEGGLE GITREKVAEA ARGLGLRVER DATA SEQUENCE GLFRPEGLRG HLLLAGSGVG LLPVRPPPPE LLPLIERFLP AcYTE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.320 176.300 0.033 0.000 0.893 2 R CA 0.000 56.126 56.100 0.043 0.000 0.921 2 R CB 0.000 30.330 30.300 0.050 0.000 0.687 3 L N 3.231 124.477 121.223 0.038 0.000 2.333 3 L HA 0.548 4.886 4.340 -0.003 0.000 0.280 3 L C -0.888 176.004 176.870 0.035 0.000 1.004 3 L CA -1.106 53.751 54.840 0.029 0.000 0.820 3 L CB 1.737 43.810 42.059 0.024 0.000 1.247 3 L HN 0.361 nan 8.230 nan 0.000 0.416 4 L N 4.931 126.171 121.223 0.027 0.000 2.276 4 L HA 0.482 4.821 4.340 -0.003 0.000 0.286 4 L C 0.220 177.103 176.870 0.022 0.000 1.024 4 L CA 0.216 55.072 54.840 0.028 0.000 0.826 4 L CB 0.438 42.510 42.059 0.022 0.000 1.211 4 L HN 0.582 nan 8.230 nan 0.000 0.422 5 N N 4.433 123.147 118.700 0.023 0.000 2.721 5 N HA -0.223 4.516 4.740 -0.003 0.000 0.249 5 N C 0.968 176.487 175.510 0.015 0.000 1.072 5 N CA 1.317 54.378 53.050 0.018 0.000 0.710 5 N CB -1.270 37.227 38.487 0.016 0.000 0.993 5 N HN 1.220 nan 8.380 nan 0.000 0.547 6 G N -2.304 106.505 108.800 0.016 0.000 2.217 6 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.246 6 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.246 6 G C 0.111 175.018 174.900 0.012 0.000 0.990 6 G CA 0.880 45.988 45.100 0.013 0.000 0.627 6 G HN 1.225 nan 8.290 nan 0.000 0.522 7 T N -0.414 114.148 114.554 0.012 0.000 2.797 7 T HA 0.682 5.030 4.350 -0.003 0.000 0.279 7 T C -2.629 172.078 174.700 0.011 0.000 0.991 7 T CA -1.863 60.243 62.100 0.010 0.000 0.979 7 T CB 3.002 71.874 68.868 0.007 0.000 0.943 7 T HN 0.025 nan 8.240 nan 0.000 0.444 8 P HA 0.242 nan 4.420 nan 0.000 0.266 8 P C -0.968 176.336 177.300 0.007 0.000 1.193 8 P CA -0.391 62.714 63.100 0.009 0.000 0.770 8 P CB 0.307 32.011 31.700 0.006 0.000 0.836 9 L N 2.496 123.723 121.223 0.007 0.000 2.406 9 L HA 0.659 4.997 4.340 -0.003 0.000 0.272 9 L C -0.788 176.079 176.870 -0.004 0.000 0.980 9 L CA -0.713 54.128 54.840 0.002 0.000 0.831 9 L CB 1.558 43.621 42.059 0.005 0.000 1.253 9 L HN 0.353 nan 8.230 nan 0.000 0.406 10 A N 5.200 128.014 122.820 -0.011 0.000 2.506 10 A HA 0.459 4.777 4.320 -0.003 0.000 0.320 10 A C -0.535 177.032 177.584 -0.029 0.000 1.424 10 A CA -0.431 51.595 52.037 -0.018 0.000 1.044 10 A CB -0.252 18.737 19.000 -0.018 0.000 1.140 10 A HN 0.696 nan 8.150 nan 0.000 0.538 11 L N 3.221 124.422 121.223 -0.037 0.000 2.500 11 L HA 0.320 4.658 4.340 -0.003 0.000 0.272 11 L C 1.342 178.171 176.870 -0.069 0.000 1.149 11 L CA 0.851 55.656 54.840 -0.058 0.000 0.897 11 L CB 0.639 42.652 42.059 -0.077 0.000 1.178 11 L HN 0.725 nan 8.230 nan 0.000 0.473 12 A N 5.927 128.703 122.820 -0.075 0.000 1.968 12 A HA 0.134 4.453 4.320 -0.003 0.000 0.217 12 A C 0.771 178.282 177.584 -0.122 0.000 1.169 12 A CA 0.816 52.801 52.037 -0.086 0.000 0.638 12 A CB -0.292 18.661 19.000 -0.079 0.000 0.812 12 A HN 0.602 nan 8.150 nan 0.000 0.446 13 L N -0.509 120.627 121.223 -0.145 0.000 2.322 13 L HA 0.426 4.765 4.340 -0.003 0.000 0.269 13 L C -2.520 174.258 176.870 -0.154 0.000 1.012 13 L CA -2.542 52.170 54.840 -0.213 0.000 0.815 13 L CB 1.571 43.444 42.059 -0.310 0.000 1.295 13 L HN -0.076 nan 8.230 nan 0.000 0.438 14 P HA 0.030 nan 4.420 nan 0.000 0.269 14 P C 0.261 177.527 177.300 -0.056 0.000 1.209 14 P CA -0.104 62.957 63.100 -0.064 0.000 0.776 14 P CB 0.702 32.392 31.700 -0.017 0.000 0.876 15 E N 2.017 122.159 120.200 -0.096 0.000 2.048 15 E HA -0.302 4.046 4.350 -0.003 0.000 0.202 15 E C 1.930 178.426 176.600 -0.173 0.000 1.021 15 E CA 2.025 58.308 56.400 -0.195 0.000 0.825 15 E CB -0.445 29.231 29.700 -0.040 0.000 0.756 15 E HN 0.535 nan 8.360 nan 0.000 0.454 16 A N 0.205 122.991 122.820 -0.057 0.000 1.933 16 A HA -0.200 4.118 4.320 -0.003 0.000 0.218 16 A C 2.010 179.621 177.584 0.045 0.000 1.175 16 A CA 1.349 53.353 52.037 -0.054 0.000 0.628 16 A CB -0.859 18.204 19.000 0.106 0.000 0.814 16 A HN 0.475 nan 8.150 nan 0.000 0.444 17 F N 0.434 120.354 119.950 -0.050 0.000 2.095 17 F HA -0.208 4.317 4.527 -0.003 0.000 0.298 17 F C 1.787 177.565 175.800 -0.038 0.000 1.104 17 F CA 1.709 59.697 58.000 -0.020 0.000 1.232 17 F CB 0.013 38.992 39.000 -0.034 0.000 0.987 17 F HN 0.134 nan 8.300 nan 0.000 0.475 18 L N -1.275 120.011 121.223 0.106 0.000 2.102 18 L HA -0.124 4.214 4.340 -0.003 0.000 0.202 18 L C 2.203 179.066 176.870 -0.011 0.000 1.076 18 L CA 1.500 56.333 54.840 -0.012 0.000 0.761 18 L CB -2.191 39.746 42.059 -0.204 0.000 0.921 18 L HN 0.141 nan 8.230 nan 0.000 0.444 19 Y N -0.584 119.675 120.300 -0.070 0.000 2.475 19 Y HA -0.015 4.534 4.550 -0.003 0.000 0.289 19 Y C 2.110 178.031 175.900 0.035 0.000 1.121 19 Y CA 0.551 58.590 58.100 -0.101 0.000 1.257 19 Y CB -0.457 37.839 38.460 -0.274 0.000 1.026 19 Y HN 0.405 nan 8.280 nan 0.000 0.555 20 H N -2.281 116.875 119.070 0.144 0.000 2.923 20 H HA 0.316 4.870 4.556 -0.003 0.000 0.268 20 H C 1.527 176.859 175.328 0.007 0.000 1.148 20 H CA 0.061 56.153 56.048 0.072 0.000 1.146 20 H CB 0.676 30.481 29.762 0.072 0.000 1.607 20 H HN 0.213 nan 8.280 nan 0.000 0.566 21 G N 1.836 110.673 108.800 0.061 0.000 2.321 21 G HA2 -0.337 3.622 3.960 -0.003 0.000 0.287 21 G HA3 -0.337 3.622 3.960 -0.003 0.000 0.287 21 G C 0.434 175.285 174.900 -0.082 0.000 1.018 21 G CA 0.349 45.411 45.100 -0.063 0.000 0.855 21 G HN 0.534 nan 8.290 nan 0.000 0.507 22 A N 0.295 123.075 122.820 -0.067 0.000 2.990 22 A HA 0.691 5.009 4.320 -0.003 0.000 0.282 22 A C 0.828 178.388 177.584 -0.040 0.000 1.688 22 A CA 0.831 52.870 52.037 0.003 0.000 1.391 22 A CB -0.278 18.786 19.000 0.107 0.000 1.112 22 A HN 1.989 nan 8.150 nan 0.000 0.588 23 S N -0.129 115.541 115.700 -0.051 0.000 2.565 23 S HA 0.741 5.209 4.470 -0.003 0.000 0.269 23 S C -0.597 174.089 174.600 0.143 0.000 1.153 23 S CA -0.145 58.072 58.200 0.027 0.000 0.835 23 S CB 1.304 64.383 63.200 -0.203 0.000 1.122 23 S HN 1.505 nan 8.310 nan 0.000 0.462 24 V N -0.512 119.542 119.914 0.234 0.000 2.960 24 V HA 1.042 5.160 4.120 -0.003 0.000 0.315 24 V C -0.685 175.642 176.094 0.388 0.000 1.087 24 V CA -1.022 61.443 62.300 0.274 0.000 0.982 24 V CB 0.917 32.865 31.823 0.207 0.000 1.039 24 V HN 1.548 nan 8.190 nan 0.000 0.437 25 F N -0.796 119.239 119.950 0.143 0.000 2.741 25 F HA 0.914 5.441 4.527 -0.001 0.000 0.313 25 F C -0.749 175.119 175.800 0.112 0.000 1.153 25 F CA -0.399 57.676 58.000 0.124 0.000 0.931 25 F CB 1.583 40.621 39.000 0.063 0.000 1.335 25 F HN 0.816 nan 8.300 nan 0.000 0.460 26 T N 0.336 114.971 114.554 0.135 0.000 2.894 26 T HA 0.647 4.996 4.350 -0.003 0.000 0.309 26 T C -1.533 173.234 174.700 0.111 0.000 1.208 26 T CA -0.127 61.991 62.100 0.030 0.000 1.016 26 T CB 1.668 70.619 68.868 0.138 0.000 1.192 26 T HN 1.209 nan 8.240 nan 0.000 0.491 27 T N 2.325 116.917 114.554 0.064 0.000 2.848 27 T HA 0.790 5.138 4.350 -0.003 0.000 0.285 27 T C -1.072 173.514 174.700 -0.190 0.000 0.995 27 T CA -0.697 61.383 62.100 -0.034 0.000 0.970 27 T CB 0.838 69.756 68.868 0.084 0.000 0.976 27 T HN 0.343 nan 8.240 nan 0.000 0.441 28 L N 1.828 122.826 121.223 -0.375 0.000 2.323 28 L HA 0.717 5.055 4.340 -0.003 0.000 0.265 28 L C 0.239 176.928 176.870 -0.300 0.000 1.012 28 L CA -1.083 53.463 54.840 -0.490 0.000 0.820 28 L CB 1.907 43.586 42.059 -0.634 0.000 1.334 28 L HN 0.692 nan 8.230 nan 0.000 0.427 29 R N 0.698 121.024 120.500 -0.289 0.000 2.514 29 R HA 0.863 5.201 4.340 -0.003 0.000 0.301 29 R C -1.235 174.864 176.300 -0.335 0.000 0.962 29 R CA -0.542 55.353 56.100 -0.342 0.000 0.882 29 R CB 1.602 31.645 30.300 -0.430 0.000 1.143 29 R HN 0.812 nan 8.270 nan 0.000 0.452 30 A N 3.740 126.376 122.820 -0.306 0.000 2.318 30 A HA 0.409 4.728 4.320 -0.003 0.000 0.324 30 A C -1.028 176.406 177.584 -0.250 0.000 1.170 30 A CA -0.662 51.230 52.037 -0.242 0.000 0.810 30 A CB 1.089 19.986 19.000 -0.172 0.000 1.198 30 A HN 0.810 nan 8.150 nan 0.000 0.484 31 E N 1.103 121.171 120.200 -0.221 0.000 2.176 31 E HA 0.480 4.828 4.350 -0.003 0.000 0.267 31 E C 0.440 176.964 176.600 -0.126 0.000 0.893 31 E CA -0.305 55.979 56.400 -0.193 0.000 0.761 31 E CB 1.594 31.165 29.700 -0.215 0.000 1.133 31 E HN 1.267 nan 8.360 nan 0.000 0.409 32 G N 2.564 111.308 108.800 -0.094 0.000 2.412 32 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.297 32 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.297 32 G C 0.932 175.805 174.900 -0.045 0.000 0.965 32 G CA 0.817 45.883 45.100 -0.056 0.000 1.134 32 G HN 1.112 nan 8.290 nan 0.000 0.511 33 G N -1.076 107.698 108.800 -0.044 0.000 2.179 33 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.260 33 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.260 33 G C 0.483 175.362 174.900 -0.036 0.000 0.977 33 G CA 1.136 46.221 45.100 -0.024 0.000 0.641 33 G HN 1.343 nan 8.290 nan 0.000 0.533 34 R N 1.253 121.713 120.500 -0.066 0.000 2.310 34 R HA 0.525 4.863 4.340 -0.003 0.000 0.324 34 R C -2.605 173.631 176.300 -0.107 0.000 0.955 34 R CA -2.090 53.969 56.100 -0.069 0.000 0.830 34 R CB 1.724 31.979 30.300 -0.074 0.000 1.154 34 R HN 0.069 nan 8.270 nan 0.000 0.458 35 P HA 0.083 nan 4.420 nan 0.000 0.276 35 P C -0.880 176.336 177.300 -0.139 0.000 1.235 35 P CA -0.402 62.632 63.100 -0.110 0.000 0.772 35 P CB 0.769 32.446 31.700 -0.038 0.000 0.871 36 L N 4.766 125.841 121.223 -0.248 0.000 2.331 36 L HA 0.259 4.597 4.340 -0.003 0.000 0.278 36 L C 0.476 177.262 176.870 -0.141 0.000 1.106 36 L CA 0.287 54.866 54.840 -0.436 0.000 0.824 36 L CB -0.674 40.900 42.059 -0.808 0.000 1.142 36 L HN 0.480 nan 8.230 nan 0.000 0.443 37 W N 3.453 124.818 121.300 0.109 0.000 5.770 37 W HA -0.248 4.416 4.660 0.007 0.000 0.389 37 W C 1.073 177.726 176.519 0.224 0.000 1.469 37 W CA 0.177 57.606 57.345 0.140 0.000 0.975 37 W CB -1.846 27.685 29.460 0.117 0.000 2.622 37 W HN 0.573 nan 8.180 nan 0.000 1.500 38 L N 0.917 122.319 121.223 0.299 0.000 2.042 38 L HA -0.157 4.181 4.340 -0.003 0.000 0.210 38 L C 2.395 179.400 176.870 0.225 0.000 1.076 38 L CA 2.950 57.940 54.840 0.251 0.000 0.749 38 L CB -0.643 41.511 42.059 0.158 0.000 0.893 38 L HN 0.218 nan 8.230 nan 0.000 0.432 39 E N -0.614 119.691 120.200 0.175 0.000 2.058 39 E HA -0.297 4.052 4.350 -0.003 0.000 0.194 39 E C 1.987 178.636 176.600 0.082 0.000 0.997 39 E CA 1.760 58.227 56.400 0.113 0.000 0.801 39 E CB -0.047 29.708 29.700 0.091 0.000 0.746 39 E HN 0.601 nan 8.360 nan 0.000 0.450 40 E N -0.493 119.758 120.200 0.085 0.000 2.110 40 E HA -0.169 4.180 4.350 -0.003 0.000 0.193 40 E C 2.071 178.620 176.600 -0.085 0.000 0.988 40 E CA 1.210 57.588 56.400 -0.036 0.000 0.804 40 E CB -0.125 29.513 29.700 -0.103 0.000 0.745 40 E HN 0.401 nan 8.360 nan 0.000 0.458 41 H N -0.187 118.915 119.070 0.053 0.000 2.357 41 H HA -0.002 4.554 4.556 -0.001 0.000 0.301 41 H C 2.130 177.446 175.328 -0.020 0.000 1.082 41 H CA 1.091 57.155 56.048 0.026 0.000 1.342 41 H CB -0.001 29.818 29.762 0.096 0.000 1.389 41 H HN 0.171 nan 8.280 nan 0.000 0.511 42 L N 0.048 121.341 121.223 0.117 0.000 2.109 42 L HA -0.070 4.268 4.340 -0.003 0.000 0.207 42 L C 2.931 179.757 176.870 -0.073 0.000 1.086 42 L CA 0.709 55.563 54.840 0.023 0.000 0.760 42 L CB -0.456 41.636 42.059 0.054 0.000 0.910 42 L HN 0.178 nan 8.230 nan 0.000 0.437 43 A N 0.483 123.260 122.820 -0.071 0.000 1.858 43 A HA -0.264 4.054 4.320 -0.003 0.000 0.216 43 A C 2.444 179.914 177.584 -0.188 0.000 1.190 43 A CA 1.954 53.916 52.037 -0.123 0.000 0.617 43 A CB -0.609 18.340 19.000 -0.086 0.000 0.827 43 A HN 0.333 nan 8.150 nan 0.000 0.443 44 R N -0.922 119.449 120.500 -0.214 0.000 2.083 44 R HA -0.145 4.193 4.340 -0.003 0.000 0.237 44 R C 2.078 178.119 176.300 -0.432 0.000 1.137 44 R CA 1.749 57.627 56.100 -0.370 0.000 0.951 44 R CB -0.455 29.588 30.300 -0.428 0.000 0.851 44 R HN 0.424 nan 8.270 nan 0.000 0.434 45 L N 1.318 122.387 121.223 -0.256 0.000 2.012 45 L HA -0.175 4.163 4.340 -0.003 0.000 0.210 45 L C 2.540 179.316 176.870 -0.156 0.000 1.073 45 L CA 1.917 56.681 54.840 -0.127 0.000 0.748 45 L CB -0.551 41.501 42.059 -0.011 0.000 0.891 45 L HN 0.161 nan 8.230 nan 0.000 0.431 46 R N -0.865 119.373 120.500 -0.436 0.000 2.081 46 R HA -0.158 4.180 4.340 -0.003 0.000 0.235 46 R C 2.463 178.592 176.300 -0.285 0.000 1.131 46 R CA 1.491 57.153 56.100 -0.730 0.000 0.960 46 R CB -0.182 29.530 30.300 -0.981 0.000 0.856 46 R HN 0.341 nan 8.270 nan 0.000 0.436 47 R N -0.923 119.467 120.500 -0.183 0.000 2.073 47 R HA -0.122 4.217 4.340 -0.003 0.000 0.234 47 R C 2.240 178.607 176.300 0.112 0.000 1.134 47 R CA 1.921 58.004 56.100 -0.029 0.000 0.952 47 R CB -0.427 29.875 30.300 0.003 0.000 0.850 47 R HN 0.559 nan 8.270 nan 0.000 0.433 48 H N -0.412 118.644 119.070 -0.024 0.000 2.321 48 H HA -0.067 4.487 4.556 -0.003 0.000 0.300 48 H C 2.177 177.431 175.328 -0.123 0.000 1.087 48 H CA 0.718 56.743 56.048 -0.038 0.000 1.319 48 H CB 0.044 29.839 29.762 0.054 0.000 1.379 48 H HN 0.300 nan 8.280 nan 0.000 0.501 49 A N 1.526 124.402 122.820 0.093 0.000 1.883 49 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 49 A C 2.449 180.044 177.584 0.019 0.000 1.186 49 A CA 1.327 53.414 52.037 0.084 0.000 0.624 49 A CB -0.824 18.296 19.000 0.201 0.000 0.822 49 A HN 0.271 nan 8.150 nan 0.000 0.444 50 L N -0.978 120.243 121.223 -0.004 0.000 2.083 50 L HA -0.169 4.169 4.340 -0.003 0.000 0.209 50 L C 2.986 179.822 176.870 -0.057 0.000 1.083 50 L CA 1.169 56.002 54.840 -0.012 0.000 0.752 50 L CB -0.928 41.124 42.059 -0.013 0.000 0.899 50 L HN 0.443 nan 8.230 nan 0.000 0.433 51 A N 0.101 122.844 122.820 -0.127 0.000 2.019 51 A HA -0.061 4.258 4.320 -0.003 0.000 0.219 51 A C 2.020 179.441 177.584 -0.272 0.000 1.164 51 A CA 1.178 53.075 52.037 -0.233 0.000 0.644 51 A CB -0.348 18.358 19.000 -0.490 0.000 0.805 51 A HN 0.440 nan 8.150 nan 0.000 0.449 52 L N -1.332 119.744 121.223 -0.245 0.000 2.769 52 L HA 0.274 4.613 4.340 -0.003 0.000 0.240 52 L C 1.353 178.183 176.870 -0.066 0.000 1.163 52 L CA 0.305 55.035 54.840 -0.183 0.000 0.962 52 L CB 0.006 41.941 42.059 -0.206 0.000 1.258 52 L HN 0.515 nan 8.230 nan 0.000 0.513 53 G N 1.294 110.069 108.800 -0.041 0.000 2.225 53 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.267 53 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.267 53 G C 0.024 174.942 174.900 0.030 0.000 1.024 53 G CA 0.109 45.210 45.100 0.001 0.000 0.784 53 G HN 0.291 nan 8.290 nan 0.000 0.507 54 L N 1.051 122.301 121.223 0.046 0.000 2.275 54 L HA 0.458 4.797 4.340 -0.003 0.000 0.288 54 L C 0.848 177.786 176.870 0.112 0.000 1.046 54 L CA -0.802 54.089 54.840 0.086 0.000 0.805 54 L CB 1.710 43.836 42.059 0.113 0.000 1.193 54 L HN 0.105 nan 8.230 nan 0.000 0.426 55 S N 1.943 117.704 115.700 0.101 0.000 2.596 55 S HA -0.029 4.440 4.470 -0.003 0.000 0.298 55 S C -0.446 174.251 174.600 0.162 0.000 1.255 55 S CA -0.011 58.254 58.200 0.108 0.000 1.083 55 S CB -0.241 62.994 63.200 0.059 0.000 0.837 55 S HN 0.301 nan 8.310 nan 0.000 0.499 56 Y N 6.539 126.872 120.300 0.056 0.000 2.336 56 Y HA 0.323 4.873 4.550 -0.001 0.000 0.335 56 Y C -1.267 174.661 175.900 0.047 0.000 1.046 56 Y CA -2.270 55.879 58.100 0.081 0.000 1.198 56 Y CB 0.784 39.293 38.460 0.082 0.000 1.182 56 Y HN 0.481 nan 8.280 nan 0.000 0.502 57 P HA 0.225 nan 4.420 nan 0.000 0.249 57 P C -0.080 176.911 177.300 -0.515 0.000 1.229 57 P CA 0.948 63.768 63.100 -0.467 0.000 0.788 57 P CB 0.132 31.523 31.700 -0.514 0.000 1.072 58 G N 1.014 109.339 108.800 -0.791 0.000 2.675 58 G HA2 -0.158 3.801 3.960 -0.003 0.000 0.686 58 G HA3 -0.158 3.801 3.960 -0.003 0.000 0.686 58 G C -0.052 174.758 174.900 -0.151 0.000 1.215 58 G CA -0.277 44.653 45.100 -0.283 0.000 0.777 58 G HN -0.039 nan 8.290 nan 0.000 0.638 59 D N 0.052 120.539 120.400 0.145 0.000 2.117 59 D HA -0.073 4.565 4.640 -0.003 0.000 0.197 59 D C 2.179 178.515 176.300 0.061 0.000 0.987 59 D CA 1.266 55.367 54.000 0.168 0.000 0.829 59 D CB 0.061 40.963 40.800 0.169 0.000 0.961 59 D HN 0.497 nan 8.370 nan 0.000 0.460 60 E N 0.822 121.030 120.200 0.013 0.000 2.085 60 E HA -0.155 4.194 4.350 -0.003 0.000 0.194 60 E C 1.977 178.544 176.600 -0.055 0.000 0.994 60 E CA 0.973 57.365 56.400 -0.013 0.000 0.801 60 E CB -0.134 29.555 29.700 -0.018 0.000 0.743 60 E HN 0.184 nan 8.360 nan 0.000 0.453 61 A N -0.019 122.720 122.820 -0.135 0.000 1.902 61 A HA -0.161 4.158 4.320 -0.003 0.000 0.217 61 A C 2.079 179.518 177.584 -0.242 0.000 1.181 61 A CA 1.208 53.109 52.037 -0.227 0.000 0.623 61 A CB -0.783 17.998 19.000 -0.365 0.000 0.818 61 A HN 0.220 nan 8.150 nan 0.000 0.443 62 F N -0.139 119.671 119.950 -0.232 0.000 2.206 62 F HA -0.004 4.522 4.527 -0.001 0.000 0.298 62 F C 2.049 177.702 175.800 -0.245 0.000 1.090 62 F CA 0.986 58.773 58.000 -0.355 0.000 1.323 62 F CB -0.404 38.247 39.000 -0.582 0.000 1.028 62 F HN 0.082 nan 8.300 nan 0.000 0.492 63 L N -0.717 120.534 121.223 0.046 0.000 2.156 63 L HA -0.164 4.175 4.340 -0.003 0.000 0.208 63 L C 2.335 179.236 176.870 0.053 0.000 1.095 63 L CA 1.158 56.032 54.840 0.056 0.000 0.770 63 L CB -0.586 41.502 42.059 0.047 0.000 0.914 63 L HN 0.112 nan 8.230 nan 0.000 0.439 64 E N 0.307 120.517 120.200 0.018 0.000 2.031 64 E HA -0.246 4.103 4.350 -0.003 0.000 0.193 64 E C 1.728 178.351 176.600 0.038 0.000 0.994 64 E CA 1.544 57.950 56.400 0.011 0.000 0.800 64 E CB 0.133 29.815 29.700 -0.029 0.000 0.752 64 E HN 0.396 nan 8.360 nan 0.000 0.447 65 D N 0.373 120.800 120.400 0.045 0.000 2.116 65 D HA -0.193 4.446 4.640 -0.003 0.000 0.193 65 D C 1.926 178.336 176.300 0.183 0.000 0.998 65 D CA 0.696 54.764 54.000 0.113 0.000 0.836 65 D CB -0.335 40.567 40.800 0.169 0.000 0.951 65 D HN 0.139 nan 8.370 nan 0.000 0.449 66 L N 1.431 122.787 121.223 0.221 0.000 2.046 66 L HA -0.172 4.166 4.340 -0.003 0.000 0.208 66 L C 1.924 178.887 176.870 0.155 0.000 1.077 66 L CA 1.731 56.723 54.840 0.254 0.000 0.747 66 L CB -0.632 41.602 42.059 0.292 0.000 0.896 66 L HN 0.040 nan 8.230 nan 0.000 0.432 67 E N -0.285 119.980 120.200 0.108 0.000 2.058 67 E HA -0.266 4.082 4.350 -0.003 0.000 0.194 67 E C 2.163 178.805 176.600 0.071 0.000 0.997 67 E CA 1.313 57.758 56.400 0.075 0.000 0.801 67 E CB -0.482 29.248 29.700 0.050 0.000 0.746 67 E HN 0.640 nan 8.360 nan 0.000 0.450 68 A N 1.515 124.377 122.820 0.071 0.000 1.908 68 A HA -0.175 4.144 4.320 -0.003 0.000 0.218 68 A C 2.276 179.909 177.584 0.082 0.000 1.181 68 A CA 1.236 53.308 52.037 0.058 0.000 0.627 68 A CB -0.719 18.311 19.000 0.050 0.000 0.818 68 A HN 0.128 nan 8.150 nan 0.000 0.445 69 L N -1.157 120.144 121.223 0.129 0.000 2.017 69 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 69 L C 2.423 179.428 176.870 0.224 0.000 1.073 69 L CA 0.699 55.651 54.840 0.187 0.000 0.745 69 L CB -0.588 41.585 42.059 0.190 0.000 0.894 69 L HN 0.266 nan 8.230 nan 0.000 0.432 70 L N -0.137 121.180 121.223 0.157 0.000 2.083 70 L HA -0.168 4.170 4.340 -0.003 0.000 0.209 70 L C 2.673 179.610 176.870 0.112 0.000 1.083 70 L CA 1.639 56.560 54.840 0.137 0.000 0.752 70 L CB -0.943 41.167 42.059 0.086 0.000 0.899 70 L HN 0.150 nan 8.230 nan 0.000 0.433 71 R N -1.033 119.509 120.500 0.070 0.000 2.115 71 R HA -0.063 4.275 4.340 -0.003 0.000 0.230 71 R C 2.138 178.424 176.300 -0.024 0.000 1.111 71 R CA 1.094 57.209 56.100 0.024 0.000 0.976 71 R CB -0.357 29.950 30.300 0.011 0.000 0.870 71 R HN 0.350 nan 8.270 nan 0.000 0.445 72 A N -0.180 122.609 122.820 -0.052 0.000 2.119 72 A HA -0.017 4.301 4.320 -0.003 0.000 0.217 72 A C 0.429 177.681 177.584 -0.553 0.000 1.153 72 A CA 0.754 52.617 52.037 -0.289 0.000 0.692 72 A CB 0.123 18.919 19.000 -0.341 0.000 0.799 72 A HN 0.209 nan 8.150 nan 0.000 0.458 73 F N -0.539 119.411 119.950 -0.000 0.000 2.577 73 F HA 0.286 4.811 4.527 -0.002 0.000 0.342 73 F C -1.618 174.178 175.800 -0.006 0.000 1.479 73 F CA -1.642 56.356 58.000 -0.004 0.000 1.110 73 F CB 1.295 40.291 39.000 -0.006 0.000 1.306 73 F HN 0.072 nan 8.300 nan 0.000 0.554 74 P HA -0.130 nan 4.420 nan 0.000 0.229 74 P C 1.374 178.710 177.300 0.060 0.000 1.160 74 P CA 1.076 64.213 63.100 0.061 0.000 0.777 74 P CB 0.519 32.232 31.700 0.021 0.000 0.814 75 K N 0.155 120.600 120.400 0.076 0.000 2.354 75 K HA 0.301 4.619 4.320 -0.003 0.000 0.194 75 K C 0.638 177.279 176.600 0.069 0.000 1.038 75 K CA 0.024 56.347 56.287 0.059 0.000 1.052 75 K CB -0.273 32.256 32.500 0.047 0.000 0.861 75 K HN -0.076 nan 8.250 nan 0.000 0.535 76 A N 2.131 125.015 122.820 0.107 0.000 2.491 76 A HA 0.220 4.538 4.320 -0.003 0.000 0.261 76 A C -1.653 175.944 177.584 0.021 0.000 1.101 76 A CA -1.058 51.024 52.037 0.075 0.000 0.772 76 A CB -0.041 19.006 19.000 0.079 0.000 1.043 76 A HN 0.221 nan 8.150 nan 0.000 0.501 77 P HA -0.037 nan 4.420 nan 0.000 0.215 77 P C 0.083 177.354 177.300 -0.049 0.000 1.153 77 P CA 0.967 64.058 63.100 -0.014 0.000 0.853 77 P CB 0.031 31.728 31.700 -0.004 0.000 0.788 78 c N -1.812 116.759 118.600 -0.048 0.000 3.090 78 c HA 0.628 5.197 4.570 -0.003 0.000 0.305 78 c C -0.621 173.415 174.090 -0.089 0.000 1.292 78 c CA -0.750 55.514 56.329 -0.108 0.000 1.482 78 c CB 1.434 43.841 42.510 -0.172 0.000 1.897 78 c HN 0.008 nan 8.230 nan 0.000 0.469 79 L N 1.431 122.557 121.223 -0.161 0.000 2.388 79 L HA 0.658 4.996 4.340 -0.003 0.000 0.264 79 L C -0.278 176.498 176.870 -0.156 0.000 0.998 79 L CA -0.576 54.149 54.840 -0.191 0.000 0.817 79 L CB 1.623 43.530 42.059 -0.253 0.000 1.338 79 L HN 0.598 nan 8.230 nan 0.000 0.414 80 R N 2.628 123.065 120.500 -0.104 0.000 2.338 80 R HA 0.712 5.050 4.340 -0.003 0.000 0.317 80 R C -1.597 174.595 176.300 -0.180 0.000 0.968 80 R CA -0.498 55.554 56.100 -0.081 0.000 0.849 80 R CB 0.986 31.309 30.300 0.038 0.000 1.128 80 R HN 0.567 nan 8.270 nan 0.000 0.448 81 L N 3.578 124.654 121.223 -0.245 0.000 2.333 81 L HA 0.652 4.991 4.340 -0.003 0.000 0.269 81 L C -0.011 176.636 176.870 -0.372 0.000 1.010 81 L CA -0.992 53.637 54.840 -0.351 0.000 0.818 81 L CB 2.001 43.753 42.059 -0.511 0.000 1.306 81 L HN 0.507 nan 8.230 nan 0.000 0.430 82 R N 1.456 121.730 120.500 -0.376 0.000 2.564 82 R HA 0.551 4.889 4.340 -0.003 0.000 0.284 82 R C -2.071 174.135 176.300 -0.157 0.000 1.031 82 R CA -0.542 55.418 56.100 -0.233 0.000 0.904 82 R CB 1.657 31.919 30.300 -0.063 0.000 1.199 82 R HN 0.351 nan 8.270 nan 0.000 0.443 83 F N 1.552 121.541 119.950 0.065 0.000 2.467 83 F HA 0.438 4.963 4.527 -0.004 0.000 0.336 83 F C -0.033 175.876 175.800 0.181 0.000 1.123 83 F CA -0.503 57.529 58.000 0.052 0.000 0.964 83 F CB 2.537 41.309 39.000 -0.380 0.000 1.136 83 F HN 0.249 nan 8.300 nan 0.000 0.447 84 T N 3.074 117.942 114.554 0.524 0.000 2.848 84 T HA 0.614 4.962 4.350 -0.003 0.000 0.285 84 T C -0.847 174.163 174.700 0.517 0.000 0.995 84 T CA -0.640 61.748 62.100 0.481 0.000 0.970 84 T CB 1.902 71.019 68.868 0.415 0.000 0.976 84 T HN 0.198 nan 8.240 nan 0.000 0.441 85 V N 2.544 122.742 119.914 0.474 0.000 2.417 85 V HA 0.872 4.990 4.120 -0.003 0.000 0.291 85 V C 0.563 176.890 176.094 0.389 0.000 1.024 85 V CA -0.360 62.186 62.300 0.410 0.000 0.861 85 V CB 1.521 33.589 31.823 0.409 0.000 0.985 85 V HN 1.091 nan 8.190 nan 0.000 0.436 86 G N 2.512 111.533 108.800 0.368 0.000 2.798 86 G HA2 0.584 4.542 3.960 -0.003 0.000 0.286 86 G HA3 0.584 4.542 3.960 -0.003 0.000 0.286 86 G C -0.930 174.090 174.900 0.201 0.000 1.389 86 G CA -0.630 44.687 45.100 0.362 0.000 0.894 86 G HN 0.460 nan 8.290 nan 0.000 0.488 87 E N 0.301 120.601 120.200 0.168 0.000 2.498 87 E HA 0.289 4.637 4.350 -0.003 0.000 0.252 87 E C 1.226 177.851 176.600 0.042 0.000 1.025 87 E CA 1.111 57.566 56.400 0.092 0.000 0.938 87 E CB 0.517 30.268 29.700 0.086 0.000 0.947 87 E HN 1.414 nan 8.360 nan 0.000 0.478 88 G N 2.111 110.911 108.800 -0.000 0.000 2.153 88 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.252 88 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.252 88 G C 0.044 174.887 174.900 -0.095 0.000 0.994 88 G CA 0.325 45.396 45.100 -0.049 0.000 0.698 88 G HN 0.381 nan 8.290 nan 0.000 0.521 89 V N 0.121 119.987 119.914 -0.081 0.000 2.569 89 V HA 0.638 4.757 4.120 -0.003 0.000 0.301 89 V C 0.213 176.263 176.094 -0.073 0.000 1.044 89 V CA -0.832 61.380 62.300 -0.147 0.000 0.874 89 V CB 1.900 33.544 31.823 -0.299 0.000 1.002 89 V HN 0.413 nan 8.190 nan 0.000 0.424 90 R N 4.426 124.847 120.500 -0.131 0.000 2.371 90 R HA 0.651 4.989 4.340 -0.003 0.000 0.312 90 R C -1.941 174.329 176.300 -0.050 0.000 0.980 90 R CA -0.655 55.348 56.100 -0.162 0.000 0.867 90 R CB 1.280 31.317 30.300 -0.438 0.000 1.163 90 R HN 0.540 nan 8.270 nan 0.000 0.492 91 L N 2.642 123.955 121.223 0.150 0.000 2.341 91 L HA 0.530 4.868 4.340 -0.003 0.000 0.278 91 L C -1.144 175.959 176.870 0.388 0.000 1.005 91 L CA -0.053 54.895 54.840 0.180 0.000 0.818 91 L CB 2.190 44.335 42.059 0.143 0.000 1.259 91 L HN 0.570 nan 8.230 nan 0.000 0.418 92 S N 4.043 119.940 115.700 0.328 0.000 2.614 92 S HA 0.765 5.233 4.470 -0.003 0.000 0.288 92 S C -1.324 173.416 174.600 0.233 0.000 1.137 92 S CA -0.818 57.659 58.200 0.461 0.000 0.992 92 S CB 1.789 65.349 63.200 0.599 0.000 1.026 92 S HN 0.624 nan 8.310 nan 0.000 0.486 93 E N 0.964 121.242 120.200 0.131 0.000 2.413 93 E HA 0.839 5.188 4.350 -0.003 0.000 0.277 93 E C -1.420 175.168 176.600 -0.020 0.000 0.958 93 E CA -1.497 54.942 56.400 0.065 0.000 0.779 93 E CB 1.965 31.693 29.700 0.046 0.000 1.278 93 E HN 0.578 nan 8.360 nan 0.000 0.456 94 A N 1.669 124.493 122.820 0.007 0.000 2.520 94 A HA 0.773 5.091 4.320 -0.003 0.000 0.298 94 A C -1.009 176.443 177.584 -0.221 0.000 1.051 94 A CA -0.866 51.101 52.037 -0.118 0.000 0.690 94 A CB 1.628 20.588 19.000 -0.066 0.000 1.281 94 A HN 0.762 nan 8.150 nan 0.000 0.402 95 R N 1.743 122.014 120.500 -0.382 0.000 2.739 95 R HA 0.687 5.025 4.340 -0.003 0.000 0.271 95 R C -3.186 172.831 176.300 -0.472 0.000 1.010 95 R CA -1.761 54.085 56.100 -0.424 0.000 0.897 95 R CB 1.935 32.145 30.300 -0.149 0.000 1.236 95 R HN 0.438 nan 8.270 nan 0.000 0.466 96 P HA -0.104 nan 4.420 nan 0.000 0.264 96 P C -1.351 175.891 177.300 -0.096 0.000 1.183 96 P CA 0.244 63.210 63.100 -0.223 0.000 0.763 96 P CB 0.276 31.922 31.700 -0.090 0.000 0.807 97 Y N 2.859 123.054 120.300 -0.176 0.000 2.323 97 Y HA 0.511 5.060 4.550 -0.002 0.000 0.331 97 Y C -0.634 175.201 175.900 -0.108 0.000 1.092 97 Y CA -0.604 57.415 58.100 -0.135 0.000 1.150 97 Y CB 1.210 39.583 38.460 -0.146 0.000 1.200 97 Y HN 0.541 nan 8.280 nan 0.000 0.472 98 A N 8.589 131.062 122.820 -0.578 0.000 2.330 98 A HA 0.621 4.939 4.320 -0.003 0.000 0.313 98 A C -2.729 174.447 177.584 -0.679 0.000 1.124 98 A CA -1.800 49.979 52.037 -0.429 0.000 0.774 98 A CB 0.427 19.291 19.000 -0.227 0.000 1.198 98 A HN 0.630 nan 8.150 nan 0.000 0.465 99 P HA 0.299 nan 4.420 nan 0.000 0.272 99 P C -0.282 176.974 177.300 -0.073 0.000 1.230 99 P CA -0.228 62.725 63.100 -0.245 0.000 0.788 99 P CB 0.660 32.057 31.700 -0.505 0.000 0.949 100 L N 2.106 123.389 121.223 0.099 0.000 2.464 100 L HA 0.204 4.542 4.340 -0.003 0.000 0.264 100 L C -1.810 175.246 176.870 0.310 0.000 1.199 100 L CA -1.827 53.116 54.840 0.172 0.000 0.818 100 L CB -0.595 41.552 42.059 0.146 0.000 1.102 100 L HN 0.253 nan 8.230 nan 0.000 0.473 101 P HA -0.076 nan 4.420 nan 0.000 0.265 101 P C 0.420 177.904 177.300 0.306 0.000 1.193 101 P CA -0.182 63.063 63.100 0.242 0.000 0.765 101 P CB 0.530 32.297 31.700 0.111 0.000 0.823 102 L N 4.367 125.721 121.223 0.218 0.000 2.081 102 L HA -0.246 4.093 4.340 -0.003 0.000 0.212 102 L C 2.151 179.108 176.870 0.145 0.000 1.080 102 L CA 2.515 57.410 54.840 0.092 0.000 0.754 102 L CB -1.415 40.419 42.059 -0.376 0.000 0.893 102 L HN 0.448 nan 8.230 nan 0.000 0.433 103 S N -1.386 114.353 115.700 0.065 0.000 2.400 103 S HA -0.208 4.261 4.470 -0.003 0.000 0.232 103 S C 2.059 176.675 174.600 0.026 0.000 1.025 103 S CA 1.352 59.574 58.200 0.036 0.000 0.993 103 S CB -0.939 62.268 63.200 0.011 0.000 0.808 103 S HN 0.523 nan 8.310 nan 0.000 0.478 104 L N -0.605 120.619 121.223 0.001 0.000 2.127 104 L HA -0.111 4.228 4.340 -0.003 0.000 0.211 104 L C 2.272 178.998 176.870 -0.240 0.000 1.089 104 L CA 1.618 56.359 54.840 -0.164 0.000 0.757 104 L CB -0.674 41.196 42.059 -0.315 0.000 0.899 104 L HN 0.376 nan 8.230 nan 0.000 0.434 105 Y N -0.792 119.492 120.300 -0.027 0.000 2.516 105 Y HA -0.062 4.486 4.550 -0.004 0.000 0.291 105 Y C 2.656 178.541 175.900 -0.024 0.000 1.131 105 Y CA 0.586 58.675 58.100 -0.017 0.000 1.281 105 Y CB -0.095 38.378 38.460 0.021 0.000 1.013 105 Y HN 0.037 nan 8.280 nan 0.000 0.554 106 R N -0.136 120.420 120.500 0.093 0.000 2.087 106 R HA -0.006 4.332 4.340 -0.003 0.000 0.216 106 R C 1.517 177.821 176.300 0.007 0.000 1.114 106 R CA 1.189 57.313 56.100 0.040 0.000 1.002 106 R CB -0.000 30.315 30.300 0.026 0.000 0.903 106 R HN 0.348 nan 8.270 nan 0.000 0.445 107 E N -0.231 119.965 120.200 -0.008 0.000 2.447 107 E HA 0.161 4.509 4.350 -0.003 0.000 0.195 107 E C 0.372 176.953 176.600 -0.032 0.000 1.028 107 E CA 0.223 56.614 56.400 -0.016 0.000 0.876 107 E CB 0.765 30.458 29.700 -0.013 0.000 0.885 107 E HN 0.371 nan 8.360 nan 0.000 0.500 108 G N 1.159 109.916 108.800 -0.072 0.000 2.781 108 G HA2 -0.189 3.770 3.960 -0.003 0.000 0.683 108 G HA3 -0.189 3.770 3.960 -0.003 0.000 0.683 108 G C -0.137 174.691 174.900 -0.119 0.000 1.390 108 G CA -0.414 44.627 45.100 -0.099 0.000 0.850 108 G HN 0.431 nan 8.290 nan 0.000 0.557 109 V N -2.074 117.756 119.914 -0.139 0.000 3.096 109 V HA 0.941 5.059 4.120 -0.003 0.000 0.319 109 V C 0.585 176.681 176.094 0.004 0.000 1.103 109 V CA -1.339 60.899 62.300 -0.104 0.000 1.016 109 V CB 1.842 33.517 31.823 -0.247 0.000 1.090 109 V HN 1.012 nan 8.190 nan 0.000 0.449 110 R N 0.959 121.495 120.500 0.061 0.000 2.404 110 R HA 0.701 5.039 4.340 -0.003 0.000 0.291 110 R C -0.434 175.938 176.300 0.120 0.000 1.025 110 R CA -0.399 55.748 56.100 0.078 0.000 0.991 110 R CB 1.772 32.114 30.300 0.070 0.000 1.053 110 R HN 0.912 nan 8.270 nan 0.000 0.479 111 V N 0.168 120.138 119.914 0.094 0.000 2.994 111 V HA 0.705 4.823 4.120 -0.003 0.000 0.318 111 V C -0.538 175.595 176.094 0.066 0.000 1.085 111 V CA -1.104 61.253 62.300 0.095 0.000 0.998 111 V CB 1.854 33.731 31.823 0.090 0.000 1.063 111 V HN 0.750 nan 8.190 nan 0.000 0.447 112 R N 2.654 123.189 120.500 0.059 0.000 2.480 112 R HA 0.665 5.003 4.340 -0.003 0.000 0.306 112 R C -1.229 175.097 176.300 0.044 0.000 0.958 112 R CA -0.698 55.428 56.100 0.045 0.000 0.861 112 R CB 1.408 31.732 30.300 0.041 0.000 1.171 112 R HN 0.996 nan 8.270 nan 0.000 0.445 113 L N 4.494 125.738 121.223 0.034 0.000 2.361 113 L HA 0.410 4.748 4.340 -0.003 0.000 0.278 113 L C -0.256 176.627 176.870 0.020 0.000 1.113 113 L CA 0.692 55.549 54.840 0.030 0.000 0.849 113 L CB 0.930 43.002 42.059 0.021 0.000 1.155 113 L HN 0.954 nan 8.230 nan 0.000 0.452 114 T N 0.976 115.548 114.554 0.030 0.000 2.937 114 T HA 0.593 4.941 4.350 -0.003 0.000 0.283 114 T C 0.870 175.535 174.700 -0.058 0.000 1.012 114 T CA -0.227 61.881 62.100 0.013 0.000 0.997 114 T CB 1.372 70.325 68.868 0.141 0.000 1.136 114 T HN 0.622 nan 8.240 nan 0.000 0.551 115 G N -0.879 107.807 108.800 -0.190 0.000 3.042 115 G HA2 0.198 4.156 3.960 -0.003 0.000 0.212 115 G HA3 0.198 4.156 3.960 -0.003 0.000 0.212 115 G C -0.216 174.508 174.900 -0.293 0.000 1.166 115 G CA -0.341 44.615 45.100 -0.241 0.000 0.767 115 G HN 0.668 nan 8.290 nan 0.000 0.546 116 Y N 0.661 120.910 120.300 -0.085 0.000 2.497 116 Y HA 0.469 5.017 4.550 -0.003 0.000 0.334 116 Y C 0.814 176.630 175.900 -0.140 0.000 1.199 116 Y CA -0.268 57.759 58.100 -0.122 0.000 1.425 116 Y CB 0.633 39.000 38.460 -0.154 0.000 1.291 116 Y HN -0.096 nan 8.280 nan 0.000 0.562 117 R N 1.091 121.597 120.500 0.009 0.000 2.604 117 R HA 0.523 4.861 4.340 -0.003 0.000 0.287 117 R C -0.820 175.399 176.300 -0.134 0.000 0.970 117 R CA -0.951 55.107 56.100 -0.071 0.000 0.946 117 R CB 1.054 31.297 30.300 -0.094 0.000 1.127 117 R HN 0.556 nan 8.270 nan 0.000 0.473 118 V N -0.240 119.594 119.914 -0.133 0.000 3.237 118 V HA 0.167 4.285 4.120 -0.003 0.000 0.305 118 V C 0.473 176.543 176.094 -0.040 0.000 1.096 118 V CA -0.397 61.842 62.300 -0.102 0.000 1.130 118 V CB 0.703 32.541 31.823 0.024 0.000 1.048 118 V HN 0.670 nan 8.190 nan 0.000 0.484 119 H N 4.058 123.114 119.070 -0.024 0.000 2.722 119 H HA 0.277 4.831 4.556 -0.003 0.000 0.328 119 H C -1.974 173.348 175.328 -0.009 0.000 1.067 119 H CA -1.450 54.594 56.048 -0.007 0.000 1.447 119 H CB 1.886 31.668 29.762 0.034 0.000 1.469 119 H HN 0.512 nan 8.280 nan 0.000 0.544 120 P HA -0.114 nan 4.420 nan 0.000 0.218 120 P C 0.557 177.896 177.300 0.065 0.000 1.148 120 P CA 1.264 64.253 63.100 -0.185 0.000 0.822 120 P CB 0.466 31.986 31.700 -0.299 0.000 0.784 121 D N -1.778 118.856 120.400 0.390 0.000 2.366 121 D HA 0.126 4.764 4.640 -0.003 0.000 0.205 121 D C 1.488 177.963 176.300 0.292 0.000 1.022 121 D CA 0.577 54.771 54.000 0.323 0.000 0.868 121 D CB 0.356 41.349 40.800 0.321 0.000 0.953 121 D HN 0.248 nan 8.370 nan 0.000 0.514 122 L N 0.364 121.777 121.223 0.317 0.000 2.766 122 L HA 0.324 4.662 4.340 -0.003 0.000 0.242 122 L C 2.170 179.117 176.870 0.129 0.000 1.136 122 L CA -0.040 54.945 54.840 0.241 0.000 0.933 122 L CB 0.251 42.392 42.059 0.136 0.000 1.241 122 L HN -0.148 nan 8.230 nan 0.000 0.522 123 A N 1.776 124.648 122.820 0.086 0.000 2.024 123 A HA -0.195 4.123 4.320 -0.003 0.000 0.220 123 A C 2.353 179.880 177.584 -0.095 0.000 1.164 123 A CA 1.598 53.672 52.037 0.063 0.000 0.643 123 A CB -0.389 18.639 19.000 0.047 0.000 0.806 123 A HN 0.578 nan 8.150 nan 0.000 0.451 124 R N -2.275 118.014 120.500 -0.351 0.000 2.276 124 R HA 0.109 4.447 4.340 -0.003 0.000 0.196 124 R C -0.553 175.292 176.300 -0.758 0.000 0.961 124 R CA 0.104 55.876 56.100 -0.547 0.000 1.024 124 R CB -0.244 29.632 30.300 -0.706 0.000 0.940 124 R HN 0.444 nan 8.270 nan 0.000 0.480 125 Y N 1.335 121.454 120.300 -0.302 0.000 2.420 125 Y HA 0.365 4.913 4.550 -0.002 0.000 0.334 125 Y C -0.010 175.704 175.900 -0.311 0.000 1.094 125 Y CA -1.763 55.947 58.100 -0.650 0.000 1.126 125 Y CB 1.323 39.497 38.460 -0.477 0.000 1.217 125 Y HN -0.239 nan 8.280 nan 0.000 0.462 126 K N 2.347 122.700 120.400 -0.078 0.000 2.244 126 K HA 0.268 4.586 4.320 -0.003 0.000 0.263 126 K C -0.490 176.073 176.600 -0.062 0.000 1.103 126 K CA -0.185 56.010 56.287 -0.154 0.000 0.966 126 K CB -0.069 32.230 32.500 -0.336 0.000 1.429 126 K HN 0.875 nan 8.250 nan 0.000 0.434 127 T N -1.110 113.539 114.554 0.157 0.000 2.942 127 T HA 0.346 4.694 4.350 -0.003 0.000 0.289 127 T C 1.231 176.160 174.700 0.381 0.000 1.044 127 T CA -0.805 61.453 62.100 0.262 0.000 1.023 127 T CB 1.738 70.707 68.868 0.168 0.000 1.123 127 T HN 0.356 nan 8.240 nan 0.000 0.512 128 G N 0.587 109.515 108.800 0.213 0.000 2.708 128 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.210 128 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.210 128 G C 0.449 175.420 174.900 0.119 0.000 1.141 128 G CA -0.169 44.968 45.100 0.062 0.000 0.788 128 G HN 0.695 nan 8.290 nan 0.000 0.531 129 N N 0.034 118.842 118.700 0.180 0.000 2.968 129 N HA 0.210 4.949 4.740 -0.003 0.000 0.271 129 N C -0.421 175.280 175.510 0.319 0.000 1.174 129 N CA -0.395 52.764 53.050 0.182 0.000 1.096 129 N CB 0.327 38.878 38.487 0.108 0.000 1.403 129 N HN 0.288 nan 8.380 nan 0.000 0.522 130 Y N 0.675 121.074 120.300 0.166 0.000 2.531 130 Y HA 0.255 4.802 4.550 -0.004 0.000 0.249 130 Y C 1.337 177.370 175.900 0.222 0.000 1.168 130 Y CA -0.157 58.113 58.100 0.283 0.000 1.226 130 Y CB 0.223 38.776 38.460 0.155 0.000 1.177 130 Y HN 0.252 nan 8.280 nan 0.000 0.527 131 L N 1.760 123.035 121.223 0.086 0.000 2.012 131 L HA -0.065 4.274 4.340 -0.003 0.000 0.210 131 L C -0.837 175.892 176.870 -0.235 0.000 1.073 131 L CA 2.142 56.949 54.840 -0.055 0.000 0.748 131 L CB -1.484 40.561 42.059 -0.022 0.000 0.891 131 L HN 0.055 nan 8.230 nan 0.000 0.431 132 P HA -0.192 nan 4.420 nan 0.000 0.216 132 P C 1.190 178.099 177.300 -0.653 0.000 1.150 132 P CA 1.641 64.443 63.100 -0.497 0.000 0.837 132 P CB -0.158 31.245 31.700 -0.495 0.000 0.786 133 Y N -0.353 119.660 120.300 -0.479 0.000 2.200 133 Y HA -0.111 4.437 4.550 -0.003 0.000 0.290 133 Y C 2.564 178.147 175.900 -0.528 0.000 1.137 133 Y CA 1.139 58.887 58.100 -0.586 0.000 1.163 133 Y CB -0.934 36.891 38.460 -1.058 0.000 0.988 133 Y HN -0.164 nan 8.280 nan 0.000 0.518 134 R N 0.207 120.477 120.500 -0.383 0.000 2.080 134 R HA -0.172 4.167 4.340 -0.003 0.000 0.236 134 R C 2.190 178.346 176.300 -0.240 0.000 1.137 134 R CA 1.845 57.831 56.100 -0.190 0.000 0.943 134 R CB -0.857 29.394 30.300 -0.082 0.000 0.846 134 R HN 0.340 nan 8.270 nan 0.000 0.431 135 L N 0.281 121.262 121.223 -0.403 0.000 2.083 135 L HA -0.172 4.167 4.340 -0.003 0.000 0.209 135 L C 2.733 179.267 176.870 -0.561 0.000 1.083 135 L CA 1.235 55.729 54.840 -0.578 0.000 0.752 135 L CB -0.611 40.843 42.059 -1.007 0.000 0.899 135 L HN 0.272 nan 8.230 nan 0.000 0.433 136 A N -0.012 122.491 122.820 -0.530 0.000 1.902 136 A HA -0.218 4.101 4.320 -0.003 0.000 0.217 136 A C 2.215 179.759 177.584 -0.066 0.000 1.181 136 A CA 1.743 53.689 52.037 -0.151 0.000 0.623 136 A CB -0.654 18.291 19.000 -0.091 0.000 0.818 136 A HN 0.326 nan 8.150 nan 0.000 0.443 137 L N 0.017 121.180 121.223 -0.101 0.000 2.093 137 L HA -0.090 4.249 4.340 -0.003 0.000 0.208 137 L C 2.115 178.948 176.870 -0.061 0.000 1.085 137 L CA 2.288 57.083 54.840 -0.075 0.000 0.755 137 L CB -0.658 41.357 42.059 -0.074 0.000 0.904 137 L HN 0.515 nan 8.230 nan 0.000 0.435 138 E N -0.499 119.660 120.200 -0.069 0.000 2.058 138 E HA -0.292 4.056 4.350 -0.003 0.000 0.194 138 E C 2.064 178.660 176.600 -0.006 0.000 0.997 138 E CA 1.502 57.878 56.400 -0.040 0.000 0.801 138 E CB -0.166 29.504 29.700 -0.049 0.000 0.746 138 E HN 0.618 nan 8.360 nan 0.000 0.450 139 E N 0.488 120.702 120.200 0.023 0.000 2.058 139 E HA -0.240 4.108 4.350 -0.003 0.000 0.194 139 E C 2.071 178.694 176.600 0.038 0.000 0.997 139 E CA 1.031 57.470 56.400 0.065 0.000 0.801 139 E CB -0.081 29.713 29.700 0.157 0.000 0.746 139 E HN 0.234 nan 8.360 nan 0.000 0.450 140 A N 1.355 124.190 122.820 0.024 0.000 1.883 140 A HA -0.210 4.108 4.320 -0.003 0.000 0.217 140 A C 2.191 179.780 177.584 0.009 0.000 1.186 140 A CA 1.671 53.717 52.037 0.016 0.000 0.624 140 A CB -0.519 18.481 19.000 -0.001 0.000 0.822 140 A HN 0.195 nan 8.150 nan 0.000 0.444 141 R N -0.724 119.771 120.500 -0.009 0.000 2.075 141 R HA -0.106 4.233 4.340 -0.003 0.000 0.232 141 R C 2.368 178.673 176.300 0.008 0.000 1.126 141 R CA 1.466 57.562 56.100 -0.007 0.000 0.963 141 R CB -0.297 29.987 30.300 -0.025 0.000 0.858 141 R HN 0.608 nan 8.270 nan 0.000 0.435 142 K N 1.132 121.537 120.400 0.010 0.000 2.074 142 K HA -0.207 4.111 4.320 -0.003 0.000 0.209 142 K C 1.118 177.729 176.600 0.018 0.000 1.048 142 K CA 1.681 57.977 56.287 0.015 0.000 0.926 142 K CB 0.086 32.596 32.500 0.018 0.000 0.713 142 K HN -0.051 nan 8.250 nan 0.000 0.444 143 E N -0.956 119.257 120.200 0.021 0.000 2.445 143 E HA 0.098 4.446 4.350 -0.003 0.000 0.189 143 E C 0.423 177.040 176.600 0.027 0.000 1.069 143 E CA 0.616 57.030 56.400 0.023 0.000 0.871 143 E CB 0.447 30.163 29.700 0.025 0.000 0.991 143 E HN 0.540 nan 8.360 nan 0.000 0.481 144 G N -0.361 108.456 108.800 0.028 0.000 2.153 144 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.252 144 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.252 144 G C 0.375 175.306 174.900 0.052 0.000 0.994 144 G CA 0.257 45.378 45.100 0.036 0.000 0.698 144 G HN 0.523 nan 8.290 nan 0.000 0.521 145 A N -1.081 121.771 122.820 0.054 0.000 2.282 145 A HA 0.827 5.145 4.320 -0.003 0.000 0.319 145 A C 0.676 178.324 177.584 0.107 0.000 1.121 145 A CA 0.250 52.337 52.037 0.084 0.000 0.836 145 A CB 0.909 19.951 19.000 0.069 0.000 1.146 145 A HN 0.971 nan 8.150 nan 0.000 0.494 146 F N 0.025 119.981 119.950 0.010 0.000 2.187 146 F HA 0.191 4.716 4.527 -0.003 0.000 0.295 146 F C 0.776 176.589 175.800 0.021 0.000 1.091 146 F CA 1.785 59.790 58.000 0.008 0.000 1.308 146 F CB 0.283 39.279 39.000 -0.007 0.000 1.030 146 F HN 0.620 nan 8.300 nan 0.000 0.487 147 E N -0.251 119.968 120.200 0.032 0.000 2.340 147 E HA 0.500 4.848 4.350 -0.003 0.000 0.273 147 E C -0.745 175.867 176.600 0.020 0.000 0.891 147 E CA -0.780 55.593 56.400 -0.045 0.000 0.757 147 E CB 1.735 31.505 29.700 0.118 0.000 1.231 147 E HN 0.175 nan 8.360 nan 0.000 0.439 148 G N 3.118 111.920 108.800 0.004 0.000 2.356 148 G HA2 0.579 4.537 3.960 -0.003 0.000 0.322 148 G HA3 0.579 4.537 3.960 -0.003 0.000 0.322 148 G C -0.831 174.102 174.900 0.055 0.000 1.125 148 G CA -0.640 44.481 45.100 0.034 0.000 0.885 148 G HN 0.445 nan 8.290 nan 0.000 0.467 149 L N 1.344 122.604 121.223 0.062 0.000 2.325 149 L HA 0.556 4.894 4.340 -0.003 0.000 0.279 149 L C -0.428 176.478 176.870 0.060 0.000 1.054 149 L CA -0.810 54.070 54.840 0.066 0.000 0.804 149 L CB 1.607 43.702 42.059 0.061 0.000 1.200 149 L HN 0.229 nan 8.230 nan 0.000 0.436 150 L N 2.797 124.054 121.223 0.056 0.000 2.319 150 L HA 0.597 4.935 4.340 -0.003 0.000 0.267 150 L C -0.280 176.608 176.870 0.031 0.000 1.011 150 L CA -0.194 54.662 54.840 0.028 0.000 0.818 150 L CB 1.778 43.815 42.059 -0.036 0.000 1.316 150 L HN 0.374 nan 8.230 nan 0.000 0.432 151 L N 0.361 121.587 121.223 0.005 0.000 2.332 151 L HA 0.561 4.899 4.340 -0.003 0.000 0.269 151 L C -0.509 176.352 176.870 -0.016 0.000 1.016 151 L CA -1.013 53.831 54.840 0.008 0.000 0.809 151 L CB 1.552 43.596 42.059 -0.024 0.000 1.280 151 L HN 0.663 nan 8.230 nan 0.000 0.447 152 D N 0.436 120.836 120.400 -0.001 0.000 2.506 152 D HA 0.262 4.900 4.640 -0.003 0.000 0.272 152 D C 0.835 177.012 176.300 -0.204 0.000 1.214 152 D CA -0.242 53.710 54.000 -0.080 0.000 1.067 152 D CB 0.883 41.679 40.800 -0.006 0.000 1.117 152 D HN 0.509 nan 8.370 nan 0.000 0.578 153 A N -0.860 121.707 122.820 -0.422 0.000 2.024 153 A HA -0.084 4.235 4.320 -0.003 0.000 0.220 153 A C 1.566 178.897 177.584 -0.422 0.000 1.164 153 A CA 0.979 52.704 52.037 -0.521 0.000 0.643 153 A CB -0.922 17.603 19.000 -0.791 0.000 0.806 153 A HN 0.466 nan 8.150 nan 0.000 0.451 154 F N -0.968 118.919 119.950 -0.105 0.000 2.693 154 F HA 0.409 4.933 4.527 -0.004 0.000 0.303 154 F C 1.784 177.396 175.800 -0.313 0.000 1.097 154 F CA -0.193 57.680 58.000 -0.212 0.000 1.330 154 F CB -0.474 38.373 39.000 -0.255 0.000 1.067 154 F HN 0.311 nan 8.300 nan 0.000 0.565 155 G N -0.420 108.315 108.800 -0.108 0.000 2.159 155 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.256 155 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.256 155 G C 0.229 175.081 174.900 -0.081 0.000 0.977 155 G CA -0.145 44.896 45.100 -0.098 0.000 0.652 155 G HN 0.409 nan 8.290 nan 0.000 0.531 156 H N -0.282 118.842 119.070 0.089 0.000 2.790 156 H HA 0.344 4.899 4.556 -0.000 0.000 0.358 156 H C 0.619 175.988 175.328 0.070 0.000 1.103 156 H CA 0.321 56.424 56.048 0.092 0.000 1.426 156 H CB 1.180 31.012 29.762 0.117 0.000 1.424 156 H HN 0.075 nan 8.280 nan 0.000 0.599 157 V N 4.238 124.280 119.914 0.213 0.000 2.405 157 V HA -0.013 4.105 4.120 -0.003 0.000 0.264 157 V C 1.428 177.606 176.094 0.139 0.000 1.048 157 V CA 0.006 62.387 62.300 0.136 0.000 0.966 157 V CB 0.670 32.555 31.823 0.103 0.000 1.015 157 V HN 0.737 nan 8.190 nan 0.000 0.477 158 V N -0.037 119.945 119.914 0.113 0.000 3.502 158 V HA 0.557 4.675 4.120 -0.003 0.000 0.288 158 V C 0.163 176.313 176.094 0.094 0.000 1.461 158 V CA 0.273 62.635 62.300 0.103 0.000 1.029 158 V CB 0.688 32.571 31.823 0.100 0.000 0.843 158 V HN 0.722 nan 8.190 nan 0.000 0.438 159 D N -0.899 119.561 120.400 0.101 0.000 2.694 159 D HA 0.552 5.190 4.640 -0.003 0.000 0.260 159 D C -0.339 176.036 176.300 0.125 0.000 1.250 159 D CA 0.451 54.526 54.000 0.125 0.000 0.763 159 D CB 2.301 43.221 40.800 0.201 0.000 1.311 159 D HN 0.312 nan 8.370 nan 0.000 0.420 160 G N -0.800 108.079 108.800 0.131 0.000 2.488 160 G HA2 0.410 4.368 3.960 -0.003 0.000 0.318 160 G HA3 0.410 4.368 3.960 -0.003 0.000 0.318 160 G C 1.068 176.079 174.900 0.186 0.000 1.188 160 G CA 0.312 45.491 45.100 0.131 0.000 0.944 160 G HN 0.337 nan 8.290 nan 0.000 0.495 161 S N -0.288 115.505 115.700 0.155 0.000 2.382 161 S HA -0.147 4.321 4.470 -0.003 0.000 0.228 161 S C 1.710 176.429 174.600 0.198 0.000 1.027 161 S CA 1.612 59.932 58.200 0.200 0.000 0.991 161 S CB -0.074 63.166 63.200 0.068 0.000 0.823 161 S HN 0.685 nan 8.310 nan 0.000 0.469 162 R N 0.448 121.041 120.500 0.155 0.000 2.519 162 R HA 0.325 4.664 4.340 -0.003 0.000 0.375 162 R C 0.053 176.436 176.300 0.138 0.000 0.926 162 R CA 0.249 56.450 56.100 0.168 0.000 1.166 162 R CB -0.421 29.990 30.300 0.184 0.000 1.626 162 R HN 0.434 nan 8.270 nan 0.000 0.529 163 T N -2.661 111.972 114.554 0.130 0.000 2.901 163 T HA 0.700 5.049 4.350 -0.003 0.000 0.293 163 T C -0.455 174.303 174.700 0.097 0.000 1.084 163 T CA -0.859 61.318 62.100 0.128 0.000 1.008 163 T CB 2.034 71.007 68.868 0.174 0.000 1.170 163 T HN -0.040 nan 8.240 nan 0.000 0.509 164 S N 3.289 119.030 115.700 0.070 0.000 2.433 164 S HA 0.579 5.047 4.470 -0.003 0.000 0.310 164 S C -2.542 172.079 174.600 0.035 0.000 1.097 164 S CA -1.078 57.148 58.200 0.043 0.000 1.103 164 S CB 0.977 64.182 63.200 0.009 0.000 0.992 164 S HN 0.672 nan 8.310 nan 0.000 0.469 165 P HA 0.492 nan 4.420 nan 0.000 0.284 165 P C -1.275 176.019 177.300 -0.011 0.000 1.253 165 P CA -0.603 62.509 63.100 0.021 0.000 0.800 165 P CB 0.785 32.499 31.700 0.024 0.000 0.961 166 L N 2.635 123.852 121.223 -0.009 0.000 2.354 166 L HA 0.574 4.913 4.340 -0.003 0.000 0.264 166 L C -0.328 176.541 176.870 -0.001 0.000 1.008 166 L CA -0.867 53.965 54.840 -0.012 0.000 0.819 166 L CB 1.820 43.884 42.059 0.009 0.000 1.339 166 L HN 0.220 nan 8.230 nan 0.000 0.420 167 L N 1.804 123.027 121.223 0.001 0.000 2.362 167 L HA 0.641 4.979 4.340 -0.003 0.000 0.275 167 L C -1.592 175.435 176.870 0.263 0.000 0.998 167 L CA -0.172 54.699 54.840 0.050 0.000 0.820 167 L CB 1.455 43.398 42.059 -0.194 0.000 1.270 167 L HN 0.451 nan 8.230 nan 0.000 0.415 168 F N 5.596 125.626 119.950 0.133 0.000 2.477 168 F HA 0.693 5.214 4.527 -0.009 0.000 0.335 168 F C -0.590 175.334 175.800 0.206 0.000 1.130 168 F CA -0.375 57.719 58.000 0.157 0.000 0.948 168 F CB 0.809 39.877 39.000 0.112 0.000 1.154 168 F HN 0.588 nan 8.300 nan 0.000 0.439 169 R N 5.116 125.359 120.500 -0.428 0.000 2.673 169 R HA 0.356 4.695 4.340 -0.003 0.000 0.281 169 R C -0.002 176.007 176.300 -0.485 0.000 0.991 169 R CA -0.298 55.631 56.100 -0.284 0.000 0.896 169 R CB 1.354 31.654 30.300 -0.000 0.000 1.201 169 R HN 0.857 nan 8.270 nan 0.000 0.457 170 E N 1.549 121.573 120.200 -0.294 0.000 3.673 170 E HA -0.272 4.077 4.350 -0.003 0.000 0.332 170 E C 0.459 176.895 176.600 -0.273 0.000 1.360 170 E CA 2.175 58.465 56.400 -0.184 0.000 1.757 170 E CB -1.376 28.269 29.700 -0.092 0.000 1.646 170 E HN 0.847 nan 8.360 nan 0.000 0.353 171 G N 0.582 109.201 108.800 -0.302 0.000 4.530 171 G HA2 0.384 4.342 3.960 -0.003 0.000 0.284 171 G HA3 0.384 4.342 3.960 -0.003 0.000 0.284 171 G C -0.454 174.357 174.900 -0.149 0.000 1.008 171 G CA 0.511 45.525 45.100 -0.143 0.000 0.770 171 G HN 0.184 nan 8.290 nan 0.000 0.424 172 T N 1.061 115.366 114.554 -0.416 0.000 2.841 172 T HA 0.528 4.876 4.350 -0.003 0.000 0.283 172 T C -1.133 173.311 174.700 -0.426 0.000 1.000 172 T CA -0.413 61.463 62.100 -0.373 0.000 0.977 172 T CB 2.545 71.129 68.868 -0.472 0.000 0.979 172 T HN 0.103 nan 8.240 nan 0.000 0.446 173 L N 4.117 125.219 121.223 -0.202 0.000 2.272 173 L HA 0.534 4.872 4.340 -0.003 0.000 0.289 173 L C -1.517 175.184 176.870 -0.282 0.000 1.032 173 L CA -0.472 54.346 54.840 -0.036 0.000 0.810 173 L CB 0.150 42.281 42.059 0.120 0.000 1.205 173 L HN 0.581 nan 8.230 nan 0.000 0.422 174 Y N 5.314 125.636 120.300 0.036 0.000 2.330 174 Y HA 0.499 5.053 4.550 0.006 0.000 0.336 174 Y C -0.229 175.636 175.900 -0.058 0.000 1.036 174 Y CA -0.735 57.369 58.100 0.005 0.000 1.125 174 Y CB 1.110 39.533 38.460 -0.062 0.000 1.194 174 Y HN 0.356 nan 8.280 nan 0.000 0.469 175 L N 4.986 126.289 121.223 0.134 0.000 2.264 175 L HA 0.334 4.672 4.340 -0.003 0.000 0.289 175 L C -0.837 176.092 176.870 0.099 0.000 1.044 175 L CA -0.913 53.965 54.840 0.064 0.000 0.807 175 L CB 0.695 42.776 42.059 0.035 0.000 1.192 175 L HN 0.410 nan 8.230 nan 0.000 0.425 176 L N 3.908 125.148 121.223 0.029 0.000 2.361 176 L HA 0.186 4.525 4.340 -0.003 0.000 0.278 176 L C 0.616 177.544 176.870 0.096 0.000 1.113 176 L CA 0.461 55.347 54.840 0.077 0.000 0.849 176 L CB 0.411 42.468 42.059 -0.003 0.000 1.155 176 L HN 0.548 nan 8.230 nan 0.000 0.452 177 E N 1.671 121.945 120.200 0.123 0.000 2.342 177 E HA 0.538 4.886 4.350 -0.003 0.000 0.257 177 E C 0.842 177.470 176.600 0.046 0.000 1.150 177 E CA 0.207 56.643 56.400 0.060 0.000 0.926 177 E CB 0.542 30.264 29.700 0.035 0.000 1.074 177 E HN 0.755 nan 8.360 nan 0.000 0.449 178 G N -0.134 108.683 108.800 0.027 0.000 2.179 178 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.220 178 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.220 178 G C 0.340 175.258 174.900 0.031 0.000 0.990 178 G CA -0.165 44.954 45.100 0.031 0.000 0.646 178 G HN 0.789 nan 8.290 nan 0.000 0.517 179 G N -0.850 107.969 108.800 0.030 0.000 3.135 179 G HA2 0.702 4.660 3.960 -0.003 0.000 0.159 179 G HA3 0.702 4.660 3.960 -0.003 0.000 0.159 179 G C -0.324 174.575 174.900 -0.003 0.000 1.244 179 G CA -0.207 44.920 45.100 0.045 0.000 0.965 179 G HN 1.013 nan 8.290 nan 0.000 0.599 180 L N 0.762 121.988 121.223 0.005 0.000 2.367 180 L HA 0.351 4.689 4.340 -0.003 0.000 0.275 180 L C 0.603 177.462 176.870 -0.018 0.000 1.129 180 L CA -0.277 54.547 54.840 -0.027 0.000 0.839 180 L CB 0.843 42.887 42.059 -0.025 0.000 1.133 180 L HN 0.576 nan 8.230 nan 0.000 0.453 181 E N 4.032 124.219 120.200 -0.022 0.000 1.881 181 E HA 0.193 4.542 4.350 -0.003 0.000 0.264 181 E C 0.048 176.622 176.600 -0.044 0.000 1.243 181 E CA -0.189 56.193 56.400 -0.030 0.000 0.965 181 E CB 0.044 29.726 29.700 -0.031 0.000 1.055 181 E HN 0.910 nan 8.360 nan 0.000 0.412 182 G N 3.675 112.445 108.800 -0.051 0.000 2.432 182 G HA2 0.017 3.975 3.960 -0.003 0.000 0.239 182 G HA3 0.017 3.975 3.960 -0.003 0.000 0.239 182 G C 0.909 175.729 174.900 -0.134 0.000 1.291 182 G CA -0.408 44.650 45.100 -0.070 0.000 0.863 182 G HN 0.646 nan 8.290 nan 0.000 0.560 183 I N 1.033 121.498 120.570 -0.175 0.000 2.252 183 I HA -0.153 4.015 4.170 -0.003 0.000 0.245 183 I C 2.953 178.852 176.117 -0.363 0.000 1.102 183 I CA 1.401 62.529 61.300 -0.288 0.000 1.385 183 I CB -0.191 37.585 38.000 -0.373 0.000 1.064 183 I HN 0.521 nan 8.210 nan 0.000 0.414 184 T N 0.200 114.625 114.554 -0.216 0.000 2.708 184 T HA -0.242 4.107 4.350 -0.003 0.000 0.266 184 T C 1.983 176.472 174.700 -0.351 0.000 1.037 184 T CA 1.469 63.419 62.100 -0.250 0.000 1.146 184 T CB -0.327 68.560 68.868 0.031 0.000 0.865 184 T HN 0.267 nan 8.240 nan 0.000 0.435 185 R N 0.975 121.338 120.500 -0.228 0.000 2.096 185 R HA -0.140 4.199 4.340 -0.003 0.000 0.240 185 R C 2.424 178.589 176.300 -0.226 0.000 1.139 185 R CA 1.509 57.486 56.100 -0.205 0.000 0.952 185 R CB -0.125 30.105 30.300 -0.117 0.000 0.854 185 R HN 0.263 nan 8.270 nan 0.000 0.436 186 E N 0.593 120.660 120.200 -0.223 0.000 2.085 186 E HA -0.204 4.144 4.350 -0.003 0.000 0.194 186 E C 1.864 178.320 176.600 -0.239 0.000 0.994 186 E CA 1.143 57.419 56.400 -0.206 0.000 0.801 186 E CB -0.055 29.524 29.700 -0.202 0.000 0.743 186 E HN 0.263 nan 8.360 nan 0.000 0.453 187 K N 0.505 120.682 120.400 -0.370 0.000 2.057 187 K HA -0.039 4.279 4.320 -0.003 0.000 0.206 187 K C 2.351 178.869 176.600 -0.137 0.000 1.050 187 K CA 0.472 56.574 56.287 -0.308 0.000 0.935 187 K CB -0.857 31.289 32.500 -0.590 0.000 0.715 187 K HN 0.044 nan 8.250 nan 0.000 0.439 188 V N 1.803 121.453 119.914 -0.439 0.000 2.343 188 V HA -0.244 3.874 4.120 -0.003 0.000 0.247 188 V C 2.474 178.510 176.094 -0.097 0.000 1.051 188 V CA 1.903 63.951 62.300 -0.420 0.000 1.036 188 V CB -0.876 30.614 31.823 -0.555 0.000 0.654 188 V HN 0.281 nan 8.190 nan 0.000 0.451 189 A N -0.495 122.260 122.820 -0.109 0.000 1.873 189 A HA -0.328 3.991 4.320 -0.003 0.000 0.218 189 A C 2.287 179.861 177.584 -0.016 0.000 1.193 189 A CA 2.282 54.287 52.037 -0.053 0.000 0.629 189 A CB -0.674 18.287 19.000 -0.065 0.000 0.826 189 A HN 0.602 nan 8.150 nan 0.000 0.447 190 E N -0.409 119.780 120.200 -0.020 0.000 2.049 190 E HA -0.227 4.122 4.350 -0.003 0.000 0.198 190 E C 2.229 178.858 176.600 0.048 0.000 1.007 190 E CA 1.353 57.756 56.400 0.005 0.000 0.809 190 E CB -0.280 29.413 29.700 -0.011 0.000 0.749 190 E HN 0.551 nan 8.360 nan 0.000 0.450 191 A N 0.881 123.771 122.820 0.117 0.000 1.972 191 A HA -0.102 4.216 4.320 -0.003 0.000 0.219 191 A C 2.307 179.945 177.584 0.091 0.000 1.169 191 A CA 1.835 53.955 52.037 0.139 0.000 0.635 191 A CB -0.566 18.611 19.000 0.295 0.000 0.810 191 A HN 0.409 nan 8.150 nan 0.000 0.446 192 A N -0.198 122.668 122.820 0.076 0.000 1.898 192 A HA -0.111 4.207 4.320 -0.003 0.000 0.216 192 A C 2.222 179.827 177.584 0.034 0.000 1.181 192 A CA 1.316 53.380 52.037 0.045 0.000 0.620 192 A CB -0.445 18.574 19.000 0.032 0.000 0.819 192 A HN 0.540 nan 8.150 nan 0.000 0.442 193 R N -0.850 119.665 120.500 0.024 0.000 2.097 193 R HA -0.159 4.180 4.340 -0.003 0.000 0.236 193 R C 2.342 178.652 176.300 0.018 0.000 1.135 193 R CA 1.414 57.523 56.100 0.016 0.000 0.934 193 R CB -0.936 29.368 30.300 0.007 0.000 0.846 193 R HN 0.522 nan 8.270 nan 0.000 0.431 194 G N 0.895 109.707 108.800 0.021 0.000 2.516 194 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.221 194 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.221 194 G C 1.264 176.174 174.900 0.016 0.000 1.107 194 G CA 0.507 45.617 45.100 0.017 0.000 0.747 194 G HN 0.188 nan 8.290 nan 0.000 0.567 195 L N -0.026 121.210 121.223 0.020 0.000 2.591 195 L HA 0.249 4.587 4.340 -0.003 0.000 0.228 195 L C 1.889 178.772 176.870 0.021 0.000 1.133 195 L CA 0.358 55.208 54.840 0.017 0.000 0.880 195 L CB -0.001 42.067 42.059 0.015 0.000 1.033 195 L HN 0.342 nan 8.230 nan 0.000 0.450 196 G N 0.951 109.765 108.800 0.022 0.000 2.160 196 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.244 196 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.244 196 G C -0.039 174.884 174.900 0.038 0.000 1.022 196 G CA -0.135 44.980 45.100 0.025 0.000 0.741 196 G HN 0.234 nan 8.290 nan 0.000 0.508 197 L N -0.380 120.871 121.223 0.045 0.000 2.322 197 L HA 0.598 4.937 4.340 -0.003 0.000 0.279 197 L C 1.070 177.960 176.870 0.032 0.000 1.036 197 L CA -1.095 53.787 54.840 0.070 0.000 0.807 197 L CB 1.431 43.558 42.059 0.114 0.000 1.226 197 L HN 0.251 nan 8.230 nan 0.000 0.433 198 R N 1.511 122.017 120.500 0.010 0.000 2.490 198 R HA 0.603 4.942 4.340 -0.003 0.000 0.278 198 R C -1.372 174.881 176.300 -0.079 0.000 1.069 198 R CA -0.416 55.663 56.100 -0.036 0.000 1.080 198 R CB 1.259 31.525 30.300 -0.057 0.000 1.030 198 R HN 0.430 nan 8.270 nan 0.000 0.491 199 V N 3.813 123.677 119.914 -0.083 0.000 2.577 199 V HA 0.330 4.448 4.120 -0.003 0.000 0.303 199 V C -0.779 175.262 176.094 -0.088 0.000 1.042 199 V CA -0.655 61.583 62.300 -0.102 0.000 0.872 199 V CB 1.829 33.624 31.823 -0.047 0.000 0.998 199 V HN 0.861 nan 8.190 nan 0.000 0.423 200 E N 3.626 123.754 120.200 -0.120 0.000 2.312 200 E HA 0.646 4.995 4.350 -0.003 0.000 0.267 200 E C -1.083 175.617 176.600 0.167 0.000 0.894 200 E CA -1.055 55.368 56.400 0.038 0.000 0.773 200 E CB 3.094 32.872 29.700 0.129 0.000 1.241 200 E HN 0.524 nan 8.360 nan 0.000 0.432 201 R N 0.352 120.956 120.500 0.173 0.000 2.589 201 R HA 0.746 5.084 4.340 -0.003 0.000 0.293 201 R C -0.204 176.229 176.300 0.221 0.000 0.963 201 R CA -0.742 55.472 56.100 0.190 0.000 0.905 201 R CB 1.964 32.319 30.300 0.093 0.000 1.144 201 R HN 0.614 nan 8.270 nan 0.000 0.459 202 G N 1.558 110.536 108.800 0.297 0.000 2.623 202 G HA2 0.418 4.376 3.960 -0.003 0.000 0.290 202 G HA3 0.418 4.376 3.960 -0.003 0.000 0.290 202 G C -1.614 173.354 174.900 0.112 0.000 1.437 202 G CA -0.898 44.270 45.100 0.113 0.000 0.798 202 G HN 0.306 nan 8.290 nan 0.000 0.488 203 L N 0.434 121.560 121.223 -0.161 0.000 2.276 203 L HA 0.572 4.910 4.340 -0.003 0.000 0.286 203 L C -0.877 175.821 176.870 -0.286 0.000 1.061 203 L CA -0.440 54.248 54.840 -0.253 0.000 0.807 203 L CB 0.918 42.574 42.059 -0.672 0.000 1.177 203 L HN 0.360 nan 8.230 nan 0.000 0.429 204 F N 2.285 122.182 119.950 -0.088 0.000 2.495 204 F HA 0.534 5.057 4.527 -0.007 0.000 0.327 204 F C 0.456 176.340 175.800 0.140 0.000 1.103 204 F CA -0.844 57.161 58.000 0.009 0.000 0.949 204 F CB 1.540 40.523 39.000 -0.028 0.000 1.142 204 F HN 0.342 nan 8.300 nan 0.000 0.457 205 R N 2.901 123.567 120.500 0.277 0.000 2.528 205 R HA 0.259 4.598 4.340 -0.003 0.000 0.271 205 R C -1.793 174.597 176.300 0.150 0.000 1.056 205 R CA -1.560 54.656 56.100 0.193 0.000 1.117 205 R CB 0.424 30.785 30.300 0.102 0.000 1.085 205 R HN 0.293 nan 8.270 nan 0.000 0.530 206 P HA -0.220 nan 4.420 nan 0.000 0.216 206 P C 0.256 177.590 177.300 0.057 0.000 1.157 206 P CA 1.554 64.693 63.100 0.066 0.000 0.880 206 P CB 0.217 31.939 31.700 0.037 0.000 0.791 207 E N -1.092 119.135 120.200 0.046 0.000 2.347 207 E HA -0.002 4.346 4.350 -0.003 0.000 0.196 207 E C 2.094 178.719 176.600 0.042 0.000 1.008 207 E CA 1.131 57.549 56.400 0.030 0.000 0.852 207 E CB -1.265 28.444 29.700 0.015 0.000 0.783 207 E HN 0.273 nan 8.360 nan 0.000 0.505 208 G N 0.560 109.409 108.800 0.082 0.000 2.813 208 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.209 208 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.209 208 G C 0.485 175.483 174.900 0.163 0.000 1.150 208 G CA -0.222 44.951 45.100 0.123 0.000 0.785 208 G HN 0.176 nan 8.290 nan 0.000 0.535 209 L N 2.351 123.629 121.223 0.092 0.000 2.480 209 L HA 0.315 4.653 4.340 -0.003 0.000 0.243 209 L C 0.057 176.922 176.870 -0.008 0.000 1.315 209 L CA -0.493 54.357 54.840 0.017 0.000 1.231 209 L CB -0.036 42.023 42.059 -0.001 0.000 1.444 209 L HN -0.033 nan 8.230 nan 0.000 0.409 210 R N 1.723 122.218 120.500 -0.008 0.000 2.265 210 R HA 0.737 5.075 4.340 -0.003 0.000 0.319 210 R C 0.493 176.766 176.300 -0.044 0.000 1.006 210 R CA -0.013 56.070 56.100 -0.029 0.000 0.880 210 R CB 1.515 31.803 30.300 -0.019 0.000 1.077 210 R HN 0.585 nan 8.270 nan 0.000 0.454 211 G N 1.974 110.719 108.800 -0.092 0.000 2.265 211 G HA2 -0.126 3.832 3.960 -0.003 0.000 0.246 211 G HA3 -0.126 3.832 3.960 -0.003 0.000 0.246 211 G C -1.386 173.388 174.900 -0.210 0.000 1.299 211 G CA -0.873 44.150 45.100 -0.129 0.000 1.117 211 G HN 0.610 nan 8.290 nan 0.000 0.485 212 H N 0.502 119.651 119.070 0.132 0.000 2.556 212 H HA 0.516 5.070 4.556 -0.004 0.000 0.310 212 H C 0.322 175.714 175.328 0.108 0.000 1.057 212 H CA -0.271 55.855 56.048 0.130 0.000 1.264 212 H CB 1.170 31.040 29.762 0.181 0.000 1.404 212 H HN 0.353 nan 8.280 nan 0.000 0.462 213 L N 4.247 125.555 121.223 0.141 0.000 2.417 213 L HA 0.214 4.552 4.340 -0.003 0.000 0.268 213 L C -0.319 176.607 176.870 0.094 0.000 1.158 213 L CA -0.286 54.607 54.840 0.089 0.000 0.819 213 L CB 0.600 42.688 42.059 0.048 0.000 1.112 213 L HN 0.312 nan 8.230 nan 0.000 0.458 214 L N 3.254 124.517 121.223 0.065 0.000 2.409 214 L HA 0.588 4.926 4.340 -0.003 0.000 0.255 214 L C -0.962 175.931 176.870 0.038 0.000 1.027 214 L CA -0.267 54.600 54.840 0.044 0.000 0.834 214 L CB 2.045 44.123 42.059 0.032 0.000 1.426 214 L HN 0.337 nan 8.230 nan 0.000 0.411 215 L N 1.319 122.565 121.223 0.039 0.000 2.381 215 L HA 0.897 5.235 4.340 -0.003 0.000 0.274 215 L C -0.593 176.312 176.870 0.059 0.000 0.988 215 L CA -0.661 54.219 54.840 0.066 0.000 0.824 215 L CB 1.888 44.019 42.059 0.120 0.000 1.263 215 L HN 0.707 nan 8.230 nan 0.000 0.410 216 A N 2.215 125.060 122.820 0.042 0.000 2.342 216 A HA 0.989 5.307 4.320 -0.003 0.000 0.323 216 A C -0.153 177.474 177.584 0.073 0.000 1.125 216 A CA -0.277 51.773 52.037 0.021 0.000 0.785 216 A CB 1.729 20.683 19.000 -0.077 0.000 1.221 216 A HN 0.801 nan 8.150 nan 0.000 0.463 217 G N -0.589 108.284 108.800 0.122 0.000 2.547 217 G HA2 0.441 4.399 3.960 -0.003 0.000 0.291 217 G HA3 0.441 4.399 3.960 -0.003 0.000 0.291 217 G C 0.365 175.395 174.900 0.217 0.000 1.471 217 G CA 0.269 45.463 45.100 0.156 0.000 0.798 217 G HN 0.638 nan 8.290 nan 0.000 0.504 218 S N -0.443 115.395 115.700 0.231 0.000 2.419 218 S HA -0.038 4.431 4.470 -0.003 0.000 0.233 218 S C 2.261 176.957 174.600 0.160 0.000 1.016 218 S CA 1.727 60.073 58.200 0.243 0.000 0.974 218 S CB -0.048 63.308 63.200 0.259 0.000 0.786 218 S HN 1.053 nan 8.310 nan 0.000 0.492 219 G N 0.432 109.353 108.800 0.203 0.000 2.777 219 G HA2 0.134 4.093 3.960 -0.003 0.000 0.211 219 G HA3 0.134 4.093 3.960 -0.003 0.000 0.211 219 G C 1.093 176.213 174.900 0.366 0.000 1.149 219 G CA 0.742 46.014 45.100 0.287 0.000 0.785 219 G HN 0.533 nan 8.290 nan 0.000 0.536 220 V N -4.031 116.069 119.914 0.310 0.000 3.497 220 V HA 0.589 4.708 4.120 -0.003 0.000 0.272 220 V C 1.512 177.831 176.094 0.375 0.000 1.474 220 V CA 0.667 63.181 62.300 0.357 0.000 1.025 220 V CB -0.284 31.720 31.823 0.302 0.000 0.820 220 V HN 0.932 nan 8.190 nan 0.000 0.437 221 G N 1.638 110.613 108.800 0.291 0.000 2.536 221 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.277 221 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.277 221 G C -0.593 174.462 174.900 0.258 0.000 1.155 221 G CA 0.428 45.715 45.100 0.311 0.000 0.960 221 G HN 1.176 nan 8.290 nan 0.000 0.544 222 L N -0.095 121.312 121.223 0.307 0.000 2.372 222 L HA 0.869 5.207 4.340 -0.003 0.000 0.274 222 L C -0.918 176.099 176.870 0.244 0.000 0.988 222 L CA -0.770 54.181 54.840 0.185 0.000 0.833 222 L CB 1.457 43.582 42.059 0.110 0.000 1.236 222 L HN 0.908 nan 8.230 nan 0.000 0.410 223 L N 8.596 129.875 121.223 0.094 0.000 2.333 223 L HA 0.798 5.137 4.340 -0.003 0.000 0.280 223 L C -2.448 174.382 176.870 -0.066 0.000 1.004 223 L CA -1.801 52.991 54.840 -0.080 0.000 0.820 223 L CB 1.827 43.722 42.059 -0.273 0.000 1.247 223 L HN 0.450 nan 8.230 nan 0.000 0.416 224 P HA 0.193 nan 4.420 nan 0.000 0.282 224 P C -1.021 176.253 177.300 -0.045 0.000 1.249 224 P CA -0.300 62.782 63.100 -0.029 0.000 0.806 224 P CB 1.457 33.146 31.700 -0.018 0.000 0.984 225 V N 4.951 124.873 119.914 0.013 0.000 2.406 225 V HA 0.275 4.393 4.120 -0.003 0.000 0.272 225 V C 0.912 177.038 176.094 0.052 0.000 1.043 225 V CA -0.217 62.099 62.300 0.025 0.000 0.915 225 V CB -0.521 31.333 31.823 0.051 0.000 0.988 225 V HN 0.700 nan 8.190 nan 0.000 0.466 226 R N 2.264 122.782 120.500 0.031 0.000 3.618 226 R HA -0.159 4.180 4.340 -0.003 0.000 0.580 226 R C -2.765 173.566 176.300 0.051 0.000 0.243 226 R CA -0.595 55.533 56.100 0.046 0.000 1.793 226 R CB -1.482 28.862 30.300 0.073 0.000 0.969 226 R HN 0.445 nan 8.270 nan 0.000 0.583 227 P HA 0.023 nan 4.420 nan 0.000 0.262 227 P C -2.020 175.291 177.300 0.018 0.000 1.182 227 P CA -0.401 62.716 63.100 0.028 0.000 0.761 227 P CB 0.195 31.915 31.700 0.033 0.000 0.795 228 P HA 0.241 nan 4.420 nan 0.000 0.276 228 P C -2.551 174.593 177.300 -0.260 0.000 1.244 228 P CA -1.823 61.188 63.100 -0.148 0.000 0.801 228 P CB -0.469 31.169 31.700 -0.104 0.000 1.006 229 P HA 0.280 nan 4.420 nan 0.000 0.277 229 P C -2.224 174.957 177.300 -0.199 0.000 1.240 229 P CA -1.996 60.898 63.100 -0.345 0.000 0.798 229 P CB -0.279 31.178 31.700 -0.406 0.000 0.979 230 P HA -0.125 nan 4.420 nan 0.000 0.225 230 P C 0.801 178.043 177.300 -0.096 0.000 1.148 230 P CA 1.274 64.327 63.100 -0.079 0.000 0.779 230 P CB -0.039 31.640 31.700 -0.036 0.000 0.780 231 E N -1.107 119.023 120.200 -0.117 0.000 2.409 231 E HA -0.068 4.281 4.350 -0.003 0.000 0.198 231 E C 1.417 177.837 176.600 -0.301 0.000 1.024 231 E CA 0.809 57.119 56.400 -0.151 0.000 0.861 231 E CB -0.613 29.052 29.700 -0.059 0.000 0.788 231 E HN 0.325 nan 8.360 nan 0.000 0.521 232 L N -0.625 120.404 121.223 -0.322 0.000 2.781 232 L HA 0.112 4.450 4.340 -0.003 0.000 0.245 232 L C 1.544 178.331 176.870 -0.138 0.000 1.118 232 L CA -0.257 54.401 54.840 -0.303 0.000 0.918 232 L CB 0.072 41.895 42.059 -0.393 0.000 1.246 232 L HN 0.127 nan 8.230 nan 0.000 0.526 233 L N 1.474 122.633 121.223 -0.107 0.000 2.010 233 L HA -0.189 4.150 4.340 -0.003 0.000 0.219 233 L C -0.062 176.790 176.870 -0.029 0.000 1.077 233 L CA 2.704 57.513 54.840 -0.052 0.000 0.773 233 L CB -2.028 40.004 42.059 -0.046 0.000 0.892 233 L HN 0.138 nan 8.230 nan 0.000 0.436 234 P HA -0.221 nan 4.420 nan 0.000 0.217 234 P C 2.304 179.606 177.300 0.003 0.000 1.158 234 P CA 1.555 64.640 63.100 -0.024 0.000 0.887 234 P CB -0.045 31.637 31.700 -0.029 0.000 0.792 235 L N -1.719 119.521 121.223 0.028 0.000 2.056 235 L HA -0.128 4.210 4.340 -0.003 0.000 0.207 235 L C 2.583 179.593 176.870 0.233 0.000 1.078 235 L CA 1.193 56.122 54.840 0.148 0.000 0.749 235 L CB -0.666 41.460 42.059 0.111 0.000 0.901 235 L HN -0.094 nan 8.230 nan 0.000 0.433 236 I N -0.164 120.484 120.570 0.129 0.000 2.163 236 I HA -0.317 3.851 4.170 -0.003 0.000 0.243 236 I C 2.424 178.605 176.117 0.106 0.000 1.085 236 I CA 1.383 62.777 61.300 0.156 0.000 1.347 236 I CB -0.258 37.810 38.000 0.114 0.000 1.044 236 I HN 0.260 nan 8.210 nan 0.000 0.408 237 E N 0.384 120.605 120.200 0.034 0.000 2.070 237 E HA -0.308 4.040 4.350 -0.003 0.000 0.197 237 E C 2.308 178.869 176.600 -0.065 0.000 1.004 237 E CA 1.391 57.777 56.400 -0.024 0.000 0.805 237 E CB -0.217 29.461 29.700 -0.037 0.000 0.744 237 E HN 0.336 nan 8.360 nan 0.000 0.451 238 R N -0.143 120.296 120.500 -0.101 0.000 2.120 238 R HA -0.137 4.201 4.340 -0.003 0.000 0.234 238 R C 1.294 177.324 176.300 -0.450 0.000 1.123 238 R CA 1.296 57.206 56.100 -0.317 0.000 0.975 238 R CB -0.028 29.981 30.300 -0.486 0.000 0.866 238 R HN 0.136 nan 8.270 nan 0.000 0.446 239 F N -0.026 119.944 119.950 0.035 0.000 2.695 239 F HA 0.187 4.708 4.527 -0.010 0.000 0.303 239 F C 0.294 176.092 175.800 -0.003 0.000 1.091 239 F CA -0.668 57.373 58.000 0.068 0.000 1.300 239 F CB 0.224 39.306 39.000 0.137 0.000 1.071 239 F HN -0.043 nan 8.300 nan 0.000 0.578 240 L N 3.495 124.729 121.223 0.018 0.000 2.513 240 L HA 0.239 4.578 4.340 -0.003 0.000 0.272 240 L C -2.321 174.468 176.870 -0.136 0.000 1.187 240 L CA -1.584 53.149 54.840 -0.178 0.000 0.895 240 L CB -0.072 41.836 42.059 -0.253 0.000 1.147 240 L HN -0.196 nan 8.230 nan 0.000 0.483 241 P HA 0.056 nan 4.420 nan 0.000 0.264 241 P C -0.822 176.388 177.300 -0.150 0.000 1.193 241 P CA 0.067 63.072 63.100 -0.158 0.000 0.763 241 P CB 0.665 32.297 31.700 -0.114 0.000 0.810 242 A N 2.682 125.407 122.820 -0.158 0.000 3.074 242 A HA 0.187 4.505 4.320 -0.003 0.000 0.251 242 A C 0.538 178.056 177.584 -0.110 0.000 1.695 242 A CA -0.072 51.906 52.037 -0.099 0.000 1.343 242 A CB -1.203 17.735 19.000 -0.103 0.000 1.078 242 A HN 0.628 nan 8.150 nan 0.000 0.644 243 c N -0.605 117.893 118.600 -0.169 0.000 3.365 243 c HA 0.302 4.870 4.570 -0.003 0.000 0.266 243 c C -0.010 173.938 174.090 -0.237 0.000 1.631 243 c CA -0.791 55.431 56.329 -0.178 0.000 1.789 243 c CB -1.890 40.561 42.510 -0.098 0.000 3.088 243 c HN 0.673 nan 8.230 nan 0.000 0.547 244 Y N 2.003 122.316 120.300 0.022 0.000 2.307 244 Y HA 0.358 4.906 4.550 -0.004 0.000 0.324 244 Y C 1.483 177.390 175.900 0.012 0.000 1.238 244 Y CA -0.141 57.970 58.100 0.019 0.000 1.280 244 Y CB 0.413 38.877 38.460 0.006 0.000 1.248 244 Y HN 0.177 nan 8.280 nan 0.000 0.508 245 T N -0.393 114.263 114.554 0.170 0.000 2.822 245 T HA 0.309 4.658 4.350 -0.003 0.000 0.288 245 T C 0.474 175.219 174.700 0.075 0.000 0.991 245 T CA -0.220 61.935 62.100 0.092 0.000 1.176 245 T CB -0.130 68.782 68.868 0.073 0.000 0.951 245 T HN 0.852 nan 8.240 nan 0.000 0.526 246 E N 0.000 120.230 120.200 0.050 0.000 2.725 246 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 246 E CA 0.000 56.421 56.400 0.036 0.000 0.976 246 E CB 0.000 29.713 29.700 0.022 0.000 0.812 246 E HN 0.000 nan 8.360 nan 0.000 0.440