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 3q08_1_P DATA FIRST_RESID 8 DATA SEQUENCE KIERGTILTQ PGVFGVFTMF KLRPDWNKVP VAERKGAAEE VKKLIEKHKD DATA SEQUENCE NVLVDLYLTR GLETNSDFFF RINAYDLAKA QTFMREFRST TVGKNADVFE DATA SEQUENCE TLVGVTKPLN YISKDKSPGL NAGLSSATYS GPAPRYVIVI PVKKNAEWWN DATA SEQUENCE MSPEERLKEM EVHTTPTLAY LVNVKRKLYH STGLDDTDFI TYFETDDLTA DATA SEQUENCE FNNLMLSLAQ VKENKFHVRW GSPTTLGTIH SPEDVIKALA D 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.656 176.600 0.094 0.000 0.988 8 K CA 0.000 56.319 56.287 0.054 0.000 0.838 8 K CB 0.000 32.521 32.500 0.036 0.000 1.064 9 I N 2.739 123.363 120.570 0.089 0.000 2.517 9 I HA 0.194 4.364 4.170 -0.000 0.000 0.280 9 I C -0.810 175.343 176.117 0.060 0.000 1.061 9 I CA -0.419 60.947 61.300 0.110 0.000 1.091 9 I CB 1.714 39.769 38.000 0.091 0.000 1.205 9 I HN 0.420 nan 8.210 nan 0.000 0.459 10 E N 5.338 125.576 120.200 0.063 0.000 2.200 10 E HA 0.223 4.573 4.350 -0.000 0.000 0.283 10 E C 0.860 177.471 176.600 0.019 0.000 1.015 10 E CA -0.391 56.030 56.400 0.035 0.000 0.819 10 E CB 2.077 31.799 29.700 0.036 0.000 1.081 10 E HN 0.482 nan 8.360 nan 0.000 0.397 11 R N 2.953 123.452 120.500 -0.001 0.000 2.113 11 R HA -0.174 4.165 4.340 -0.000 0.000 0.244 11 R C 1.722 178.013 176.300 -0.016 0.000 1.142 11 R CA 2.109 58.197 56.100 -0.020 0.000 0.953 11 R CB -0.361 29.924 30.300 -0.024 0.000 0.860 11 R HN 0.644 nan 8.270 nan 0.000 0.438 12 G N -1.618 107.181 108.800 -0.002 0.000 2.813 12 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.209 12 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.209 12 G C 0.900 175.807 174.900 0.012 0.000 1.150 12 G CA 0.727 45.828 45.100 0.002 0.000 0.785 12 G HN 0.371 nan 8.290 nan 0.000 0.535 13 T N 0.664 115.233 114.554 0.025 0.000 2.818 13 T HA 0.072 4.422 4.350 -0.000 0.000 0.246 13 T C 2.249 176.983 174.700 0.056 0.000 1.036 13 T CA 0.331 62.461 62.100 0.050 0.000 1.160 13 T CB -0.169 68.746 68.868 0.079 0.000 0.869 13 T HN 0.134 nan 8.240 nan 0.000 0.419 14 I N 1.190 121.787 120.570 0.046 0.000 2.248 14 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 14 I C 1.639 177.703 176.117 -0.088 0.000 1.107 14 I CA 1.354 62.625 61.300 -0.049 0.000 1.373 14 I CB -0.068 37.805 38.000 -0.211 0.000 1.055 14 I HN 0.217 nan 8.210 nan 0.000 0.418 15 L N -0.415 120.768 121.223 -0.067 0.000 2.622 15 L HA -0.106 4.234 4.340 -0.000 0.000 0.233 15 L C 1.916 178.745 176.870 -0.068 0.000 1.156 15 L CA 0.592 55.385 54.840 -0.079 0.000 0.866 15 L CB -0.498 41.520 42.059 -0.067 0.000 0.980 15 L HN 0.191 nan 8.230 nan 0.000 0.448 16 T N -2.144 112.390 114.554 -0.034 0.000 2.978 16 T HA 0.095 4.445 4.350 -0.000 0.000 0.248 16 T C 0.802 175.498 174.700 -0.007 0.000 1.018 16 T CA 0.081 62.172 62.100 -0.016 0.000 1.026 16 T CB 0.484 69.356 68.868 0.006 0.000 1.032 16 T HN 0.195 nan 8.240 nan 0.000 0.485 17 Q N 1.798 121.605 119.800 0.011 0.000 2.205 17 Q HA 0.355 4.695 4.340 -0.000 0.000 0.249 17 Q C -2.519 173.486 176.000 0.008 0.000 0.948 17 Q CA -2.363 53.462 55.803 0.035 0.000 0.895 17 Q CB 1.400 30.208 28.738 0.117 0.000 1.249 17 Q HN 0.181 nan 8.270 nan 0.000 0.458 18 P HA 0.086 nan 4.420 nan 0.000 0.274 18 P C -0.047 177.241 177.300 -0.021 0.000 1.231 18 P CA 0.266 63.352 63.100 -0.023 0.000 0.790 18 P CB 0.746 32.431 31.700 -0.025 0.000 0.951 19 G N 0.196 108.943 108.800 -0.088 0.000 2.132 19 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.228 19 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.228 19 G C -0.246 174.516 174.900 -0.229 0.000 1.000 19 G CA -0.219 44.787 45.100 -0.156 0.000 0.693 19 G HN 0.518 nan 8.290 nan 0.000 0.515 20 V N 1.233 121.027 119.914 -0.200 0.000 2.383 20 V HA 0.606 4.726 4.120 -0.000 0.000 0.275 20 V C 0.471 176.462 176.094 -0.172 0.000 1.036 20 V CA -0.765 61.423 62.300 -0.187 0.000 0.889 20 V CB 0.833 32.572 31.823 -0.142 0.000 0.985 20 V HN 0.219 nan 8.190 nan 0.000 0.459 21 F N 2.911 122.904 119.950 0.071 0.000 2.456 21 F HA 0.566 5.093 4.527 -0.000 0.000 0.358 21 F C 1.069 176.917 175.800 0.080 0.000 1.095 21 F CA -0.021 58.037 58.000 0.097 0.000 1.216 21 F CB 0.939 39.967 39.000 0.047 0.000 1.125 21 F HN 0.524 nan 8.300 nan 0.000 0.549 22 G N 2.238 111.190 108.800 0.252 0.000 2.478 22 G HA2 0.566 4.526 3.960 -0.000 0.000 0.317 22 G HA3 0.566 4.526 3.960 -0.000 0.000 0.317 22 G C -1.719 173.103 174.900 -0.131 0.000 1.259 22 G CA -0.601 44.400 45.100 -0.165 0.000 0.933 22 G HN 0.481 nan 8.290 nan 0.000 0.478 23 V N 3.228 123.000 119.914 -0.237 0.000 2.325 23 V HA 0.355 4.475 4.120 -0.000 0.000 0.280 23 V C -0.910 175.094 176.094 -0.149 0.000 1.016 23 V CA -0.665 61.582 62.300 -0.088 0.000 0.818 23 V CB 0.520 32.318 31.823 -0.041 0.000 1.019 23 V HN 0.621 nan 8.190 nan 0.000 0.434 24 F N 2.536 122.485 119.950 -0.002 0.000 2.391 24 F HA 0.543 5.070 4.527 -0.000 0.000 0.359 24 F C 0.848 176.696 175.800 0.080 0.000 1.122 24 F CA -0.328 57.730 58.000 0.096 0.000 1.120 24 F CB 1.574 40.609 39.000 0.059 0.000 1.142 24 F HN 0.327 nan 8.300 nan 0.000 0.483 25 T N 4.273 119.002 114.554 0.292 0.000 2.815 25 T HA 0.437 4.786 4.350 -0.000 0.000 0.289 25 T C -0.249 174.524 174.700 0.122 0.000 1.000 25 T CA -0.797 61.358 62.100 0.091 0.000 0.958 25 T CB 1.002 69.859 68.868 -0.018 0.000 0.944 25 T HN 0.167 nan 8.240 nan 0.000 0.442 26 M N 3.842 123.419 119.600 -0.038 0.000 2.084 26 M HA 0.495 4.975 4.480 -0.000 0.000 0.351 26 M C -0.850 175.316 176.300 -0.223 0.000 1.240 26 M CA -1.128 54.159 55.300 -0.022 0.000 1.083 26 M CB -0.562 32.012 32.600 -0.043 0.000 1.593 26 M HN 0.459 nan 8.290 nan 0.000 0.463 27 F N 1.997 121.806 119.950 -0.234 0.000 2.458 27 F HA 0.591 5.118 4.527 -0.000 0.000 0.330 27 F C 0.467 176.043 175.800 -0.372 0.000 1.082 27 F CA -0.655 57.145 58.000 -0.333 0.000 0.995 27 F CB 1.434 40.037 39.000 -0.661 0.000 1.170 27 F HN 0.347 nan 8.300 nan 0.000 0.478 28 K N 3.686 124.166 120.400 0.134 0.000 2.292 28 K HA 0.514 4.834 4.320 -0.000 0.000 0.257 28 K C -1.133 175.540 176.600 0.121 0.000 0.940 28 K CA -0.607 55.703 56.287 0.038 0.000 0.811 28 K CB 1.202 33.631 32.500 -0.118 0.000 1.120 28 K HN 0.639 nan 8.250 nan 0.000 0.428 29 L N 4.750 126.019 121.223 0.077 0.000 2.410 29 L HA 0.221 4.561 4.340 -0.000 0.000 0.273 29 L C 0.903 177.835 176.870 0.103 0.000 1.152 29 L CA -0.079 54.789 54.840 0.047 0.000 0.855 29 L CB 0.420 42.435 42.059 -0.074 0.000 1.129 29 L HN 0.516 nan 8.230 nan 0.000 0.463 30 R N 3.562 124.145 120.500 0.139 0.000 2.577 30 R HA 0.190 4.530 4.340 -0.000 0.000 0.269 30 R C -1.528 174.885 176.300 0.189 0.000 1.084 30 R CA -1.575 54.621 56.100 0.160 0.000 1.163 30 R CB 0.289 30.683 30.300 0.156 0.000 1.100 30 R HN 0.365 nan 8.270 nan 0.000 0.547 31 P HA -0.110 nan 4.420 nan 0.000 0.223 31 P C 0.104 177.496 177.300 0.153 0.000 1.151 31 P CA 1.032 64.219 63.100 0.146 0.000 0.787 31 P CB 0.093 31.854 31.700 0.101 0.000 0.788 32 D N -1.722 118.769 120.400 0.152 0.000 2.338 32 D HA -0.141 4.499 4.640 -0.000 0.000 0.239 32 D C 1.317 177.728 176.300 0.185 0.000 1.095 32 D CA -0.088 53.989 54.000 0.130 0.000 0.888 32 D CB -1.028 39.829 40.800 0.096 0.000 0.899 32 D HN 0.388 nan 8.370 nan 0.000 0.525 33 W N 1.640 122.963 121.300 0.038 0.000 2.640 33 W HA 0.048 4.708 4.660 -0.000 0.000 0.268 33 W C 0.494 177.028 176.519 0.025 0.000 1.263 33 W CA -0.075 57.291 57.345 0.034 0.000 1.344 33 W CB 0.020 29.512 29.460 0.054 0.000 1.093 33 W HN -0.143 nan 8.180 nan 0.000 0.603 34 N N 1.357 120.072 118.700 0.025 0.000 2.571 34 N HA -0.084 4.656 4.740 -0.000 0.000 0.189 34 N C 0.889 176.326 175.510 -0.122 0.000 1.154 34 N CA 1.018 54.015 53.050 -0.089 0.000 0.907 34 N CB -0.032 38.468 38.487 0.023 0.000 0.977 34 N HN 0.326 nan 8.380 nan 0.000 0.449 35 K N -0.348 119.990 120.400 -0.104 0.000 2.440 35 K HA 0.206 4.526 4.320 -0.000 0.000 0.207 35 K C -0.205 176.329 176.600 -0.110 0.000 1.112 35 K CA -0.070 56.167 56.287 -0.084 0.000 1.036 35 K CB 1.316 33.799 32.500 -0.027 0.000 0.935 35 K HN -0.170 nan 8.250 nan 0.000 0.564 36 V N 4.538 124.350 119.914 -0.171 0.000 2.485 36 V HA 0.036 4.156 4.120 -0.000 0.000 0.287 36 V C -2.235 173.726 176.094 -0.221 0.000 1.022 36 V CA -1.305 60.883 62.300 -0.185 0.000 1.067 36 V CB 0.135 31.814 31.823 -0.240 0.000 0.967 36 V HN 0.102 nan 8.190 nan 0.000 0.479 37 P HA -0.029 nan 4.420 nan 0.000 0.261 37 P C -0.138 177.068 177.300 -0.157 0.000 1.173 37 P CA 0.285 63.310 63.100 -0.125 0.000 0.760 37 P CB 0.364 32.014 31.700 -0.083 0.000 0.783 38 V N 3.274 123.099 119.914 -0.148 0.000 2.740 38 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 38 V C 1.024 177.062 176.094 -0.094 0.000 1.054 38 V CA 1.651 63.867 62.300 -0.140 0.000 1.106 38 V CB 0.059 31.810 31.823 -0.120 0.000 0.957 38 V HN 0.918 nan 8.190 nan 0.000 0.486 39 A N 3.809 126.580 122.820 -0.082 0.000 2.080 39 A HA -0.181 4.138 4.320 -0.000 0.000 0.205 39 A C 1.686 179.239 177.584 -0.052 0.000 0.618 39 A CA 0.957 52.961 52.037 -0.055 0.000 1.427 39 A CB -1.835 17.137 19.000 -0.047 0.000 1.316 39 A HN 0.843 nan 8.150 nan 0.000 0.691 40 E N 0.021 120.180 120.200 -0.068 0.000 2.158 40 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 40 E C 2.105 178.665 176.600 -0.066 0.000 0.982 40 E CA 0.811 57.176 56.400 -0.057 0.000 0.823 40 E CB -0.018 29.646 29.700 -0.061 0.000 0.766 40 E HN 0.661 nan 8.360 nan 0.000 0.468 41 R N 0.262 120.668 120.500 -0.156 0.000 2.066 41 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 41 R C 2.185 178.469 176.300 -0.026 0.000 1.131 41 R CA 1.146 57.118 56.100 -0.214 0.000 0.955 41 R CB 0.105 30.133 30.300 -0.453 0.000 0.851 41 R HN -0.085 nan 8.270 nan 0.000 0.432 42 K N -0.463 119.912 120.400 -0.043 0.000 2.283 42 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 42 K C 1.621 178.227 176.600 0.010 0.000 1.048 42 K CA 1.107 57.390 56.287 -0.007 0.000 0.948 42 K CB -0.200 32.286 32.500 -0.023 0.000 0.742 42 K HN 0.281 nan 8.250 nan 0.000 0.458 43 G N 0.048 108.852 108.800 0.007 0.000 3.181 43 G HA2 0.135 4.095 3.960 -0.000 0.000 0.219 43 G HA3 0.135 4.095 3.960 -0.000 0.000 0.219 43 G C 1.206 176.127 174.900 0.034 0.000 1.182 43 G CA 0.549 45.658 45.100 0.014 0.000 0.791 43 G HN 0.279 nan 8.290 nan 0.000 0.537 44 A N 0.327 123.188 122.820 0.068 0.000 2.014 44 A HA 0.605 4.925 4.320 -0.000 0.000 0.210 44 A C 2.570 180.192 177.584 0.064 0.000 1.188 44 A CA 1.313 53.405 52.037 0.091 0.000 0.731 44 A CB -0.234 18.889 19.000 0.205 0.000 0.858 44 A HN 0.466 nan 8.150 nan 0.000 0.464 45 A N 0.230 123.082 122.820 0.053 0.000 1.933 45 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 45 A C 1.913 179.513 177.584 0.027 0.000 1.175 45 A CA 2.118 54.170 52.037 0.025 0.000 0.628 45 A CB -0.403 18.602 19.000 0.010 0.000 0.814 45 A HN 0.490 nan 8.150 nan 0.000 0.444 46 E N -0.009 120.206 120.200 0.026 0.000 2.106 46 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 46 E C 1.941 178.560 176.600 0.031 0.000 0.984 46 E CA 1.485 57.899 56.400 0.024 0.000 0.806 46 E CB -0.236 29.473 29.700 0.016 0.000 0.750 46 E HN 0.711 nan 8.360 nan 0.000 0.458 47 E N -0.586 119.633 120.200 0.030 0.000 2.110 47 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 47 E C 1.922 178.549 176.600 0.046 0.000 0.988 47 E CA 1.346 57.761 56.400 0.026 0.000 0.804 47 E CB 0.096 29.802 29.700 0.010 0.000 0.745 47 E HN 0.178 nan 8.360 nan 0.000 0.458 48 V N 1.246 121.204 119.914 0.073 0.000 2.307 48 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 48 V C 2.469 178.637 176.094 0.123 0.000 1.045 48 V CA 2.016 64.394 62.300 0.130 0.000 1.024 48 V CB -0.508 31.410 31.823 0.158 0.000 0.651 48 V HN 0.265 nan 8.190 nan 0.000 0.449 49 K N 0.204 120.652 120.400 0.081 0.000 2.001 49 K HA -0.296 4.024 4.320 -0.000 0.000 0.214 49 K C 2.295 178.946 176.600 0.084 0.000 1.050 49 K CA 2.187 58.516 56.287 0.070 0.000 0.934 49 K CB -0.219 32.305 32.500 0.040 0.000 0.718 49 K HN 0.312 nan 8.250 nan 0.000 0.443 50 K N 0.421 120.861 120.400 0.066 0.000 2.074 50 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 50 K C 2.113 178.770 176.600 0.095 0.000 1.048 50 K CA 1.578 57.903 56.287 0.062 0.000 0.926 50 K CB -0.225 32.298 32.500 0.039 0.000 0.713 50 K HN 0.120 nan 8.250 nan 0.000 0.444 51 L N 1.006 122.296 121.223 0.111 0.000 2.131 51 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 51 L C 1.787 178.861 176.870 0.341 0.000 1.092 51 L CA 1.459 56.396 54.840 0.162 0.000 0.759 51 L CB -0.064 42.010 42.059 0.024 0.000 0.903 51 L HN 0.185 nan 8.230 nan 0.000 0.435 52 I N -0.988 119.767 120.570 0.308 0.000 2.286 52 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 52 I C 2.281 178.527 176.117 0.215 0.000 1.104 52 I CA 1.027 62.528 61.300 0.335 0.000 1.397 52 I CB -0.417 37.715 38.000 0.220 0.000 1.072 52 I HN 0.269 nan 8.210 nan 0.000 0.417 53 E N 1.088 121.372 120.200 0.141 0.000 2.118 53 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 53 E C 2.137 178.786 176.600 0.081 0.000 0.992 53 E CA 1.192 57.645 56.400 0.089 0.000 0.804 53 E CB -0.072 29.662 29.700 0.057 0.000 0.741 53 E HN 0.343 nan 8.360 nan 0.000 0.458 54 K N 0.487 120.943 120.400 0.094 0.000 2.032 54 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 54 K C 0.818 177.367 176.600 -0.085 0.000 1.048 54 K CA 1.408 57.685 56.287 -0.018 0.000 0.927 54 K CB -0.060 32.406 32.500 -0.057 0.000 0.712 54 K HN 0.210 nan 8.250 nan 0.000 0.441 55 H N 0.208 119.354 119.070 0.127 0.000 2.660 55 H HA 0.162 4.718 4.556 -0.000 0.000 0.310 55 H C 0.877 176.245 175.328 0.067 0.000 1.080 55 H CA -0.103 56.023 56.048 0.129 0.000 1.145 55 H CB 0.542 30.461 29.762 0.262 0.000 1.432 55 H HN 0.150 nan 8.280 nan 0.000 0.542 56 K N 0.268 120.737 120.400 0.115 0.000 2.032 56 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 56 K C 0.640 177.274 176.600 0.058 0.000 1.048 56 K CA 1.530 57.856 56.287 0.066 0.000 0.927 56 K CB 0.176 32.702 32.500 0.043 0.000 0.712 56 K HN 0.365 nan 8.250 nan 0.000 0.441 57 D N -0.350 120.087 120.400 0.061 0.000 2.339 57 D HA 0.004 4.644 4.640 -0.000 0.000 0.217 57 D C 1.056 177.410 176.300 0.089 0.000 1.050 57 D CA 0.405 54.443 54.000 0.064 0.000 0.856 57 D CB 0.211 41.038 40.800 0.044 0.000 0.922 57 D HN 0.156 nan 8.370 nan 0.000 0.518 58 N N -0.192 118.572 118.700 0.107 0.000 2.545 58 N HA 0.026 4.766 4.740 -0.000 0.000 0.190 58 N C 0.681 176.244 175.510 0.089 0.000 1.043 58 N CA 0.428 53.556 53.050 0.131 0.000 0.879 58 N CB 1.389 40.002 38.487 0.210 0.000 1.210 58 N HN 0.113 nan 8.380 nan 0.000 0.437 59 V N -1.399 118.537 119.914 0.037 0.000 3.114 59 V HA 0.612 4.732 4.120 -0.000 0.000 0.308 59 V C -1.279 174.730 176.094 -0.143 0.000 1.168 59 V CA -1.196 61.049 62.300 -0.091 0.000 1.015 59 V CB 2.490 34.193 31.823 -0.201 0.000 1.050 59 V HN -0.092 nan 8.190 nan 0.000 0.433 60 L N 2.887 123.993 121.223 -0.194 0.000 2.282 60 L HA 0.794 5.134 4.340 -0.000 0.000 0.288 60 L C -0.478 176.231 176.870 -0.269 0.000 1.033 60 L CA -0.072 54.654 54.840 -0.191 0.000 0.807 60 L CB 1.544 43.509 42.059 -0.157 0.000 1.209 60 L HN 0.708 nan 8.230 nan 0.000 0.423 61 V N 4.273 124.030 119.914 -0.262 0.000 2.435 61 V HA 0.539 4.659 4.120 -0.000 0.000 0.290 61 V C -0.630 175.342 176.094 -0.204 0.000 1.030 61 V CA -0.748 61.378 62.300 -0.290 0.000 0.881 61 V CB 1.596 33.217 31.823 -0.337 0.000 0.983 61 V HN 0.667 nan 8.190 nan 0.000 0.445 62 D N 3.310 123.576 120.400 -0.223 0.000 2.481 62 D HA 0.608 5.248 4.640 -0.000 0.000 0.244 62 D C -1.161 174.747 176.300 -0.655 0.000 1.057 62 D CA -0.390 53.360 54.000 -0.417 0.000 0.848 62 D CB 3.028 43.578 40.800 -0.416 0.000 1.388 62 D HN 0.296 nan 8.370 nan 0.000 0.475 63 L N 2.473 123.146 121.223 -0.917 0.000 2.385 63 L HA 0.453 4.793 4.340 -0.000 0.000 0.273 63 L C -1.780 174.426 176.870 -1.107 0.000 0.990 63 L CA -0.628 53.561 54.840 -1.085 0.000 0.821 63 L CB 1.202 42.733 42.059 -0.880 0.000 1.279 63 L HN 0.262 nan 8.230 nan 0.000 0.412 64 Y N 4.283 124.229 120.300 -0.590 0.000 2.499 64 Y HA 0.623 5.173 4.550 -0.000 0.000 0.347 64 Y C -0.611 175.158 175.900 -0.219 0.000 0.987 64 Y CA -1.060 56.747 58.100 -0.489 0.000 1.044 64 Y CB 1.808 39.735 38.460 -0.889 0.000 1.245 64 Y HN 0.501 nan 8.280 nan 0.000 0.461 65 L N 2.698 124.010 121.223 0.149 0.000 2.257 65 L HA 0.499 4.839 4.340 -0.000 0.000 0.290 65 L C 0.633 177.642 176.870 0.231 0.000 1.044 65 L CA 0.299 55.258 54.840 0.199 0.000 0.810 65 L CB 0.914 43.098 42.059 0.208 0.000 1.193 65 L HN 0.913 nan 8.230 nan 0.000 0.425 66 T N 0.539 115.241 114.554 0.247 0.000 3.004 66 T HA 0.185 4.535 4.350 -0.000 0.000 0.266 66 T C 0.896 175.680 174.700 0.140 0.000 0.986 66 T CA -0.360 61.869 62.100 0.215 0.000 0.902 66 T CB -0.165 68.860 68.868 0.261 0.000 1.118 66 T HN 0.532 nan 8.240 nan 0.000 0.522 67 R N 1.346 121.929 120.500 0.139 0.000 2.504 67 R HA 0.336 4.676 4.340 -0.000 0.000 0.291 67 R C 1.447 177.797 176.300 0.083 0.000 0.974 67 R CA 1.705 57.864 56.100 0.098 0.000 1.077 67 R CB -0.563 29.803 30.300 0.109 0.000 0.926 67 R HN 0.559 nan 8.270 nan 0.000 0.407 68 G N 3.162 111.996 108.800 0.057 0.000 2.195 68 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 68 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 68 G C 0.381 175.306 174.900 0.042 0.000 0.984 68 G CA 0.217 45.346 45.100 0.048 0.000 0.633 68 G HN 0.577 nan 8.290 nan 0.000 0.525 69 L N -0.601 120.649 121.223 0.045 0.000 3.039 69 L HA 0.409 4.749 4.340 -0.000 0.000 0.269 69 L C 0.171 177.045 176.870 0.007 0.000 1.169 69 L CA 0.115 54.975 54.840 0.033 0.000 0.986 69 L CB 0.503 42.600 42.059 0.063 0.000 1.377 69 L HN 0.065 nan 8.230 nan 0.000 0.575 70 E N -1.076 119.125 120.200 0.001 0.000 2.367 70 E HA 0.333 4.683 4.350 -0.000 0.000 0.273 70 E C 0.042 176.607 176.600 -0.058 0.000 0.903 70 E CA -0.216 56.165 56.400 -0.032 0.000 0.764 70 E CB 2.217 31.898 29.700 -0.031 0.000 1.252 70 E HN -0.235 nan 8.360 nan 0.000 0.446 71 T N 0.567 115.070 114.554 -0.084 0.000 2.894 71 T HA 0.001 4.351 4.350 -0.000 0.000 0.258 71 T C 0.729 175.300 174.700 -0.216 0.000 1.043 71 T CA 0.901 62.931 62.100 -0.117 0.000 1.141 71 T CB -0.027 68.784 68.868 -0.096 0.000 0.873 71 T HN 0.339 nan 8.240 nan 0.000 0.449 72 N N 1.634 120.195 118.700 -0.231 0.000 2.453 72 N HA 0.269 5.009 4.740 -0.000 0.000 0.270 72 N C -0.891 174.434 175.510 -0.308 0.000 1.195 72 N CA -0.378 52.424 53.050 -0.414 0.000 0.902 72 N CB 0.563 38.879 38.487 -0.285 0.000 1.186 72 N HN 0.267 nan 8.380 nan 0.000 0.510 73 S N -1.967 113.611 115.700 -0.204 0.000 2.552 73 S HA 0.324 4.794 4.470 -0.000 0.000 0.272 73 S C -0.652 173.923 174.600 -0.043 0.000 1.150 73 S CA -0.869 57.264 58.200 -0.112 0.000 0.849 73 S CB 2.059 65.245 63.200 -0.023 0.000 1.113 73 S HN -0.126 nan 8.310 nan 0.000 0.458 74 D N 0.009 120.394 120.400 -0.026 0.000 2.422 74 D HA 0.332 4.972 4.640 -0.000 0.000 0.218 74 D C 0.021 176.479 176.300 0.263 0.000 1.047 74 D CA 0.983 55.050 54.000 0.112 0.000 0.885 74 D CB 0.540 41.434 40.800 0.157 0.000 1.035 74 D HN 0.613 nan 8.370 nan 0.000 0.502 75 F N 0.101 120.159 119.950 0.180 0.000 2.725 75 F HA 0.517 5.044 4.527 -0.000 0.000 0.309 75 F C -1.912 174.082 175.800 0.324 0.000 1.132 75 F CA -1.777 56.320 58.000 0.162 0.000 0.957 75 F CB 0.639 39.639 39.000 0.002 0.000 1.286 75 F HN -0.217 nan 8.300 nan 0.000 0.440 76 F N 0.479 120.589 119.950 0.267 0.000 2.613 76 F HA 0.876 5.403 4.527 -0.000 0.000 0.310 76 F C -2.285 173.632 175.800 0.196 0.000 1.085 76 F CA -1.899 56.260 58.000 0.265 0.000 0.945 76 F CB 1.582 40.724 39.000 0.236 0.000 1.298 76 F HN 0.475 nan 8.300 nan 0.000 0.455 77 F N 1.829 122.025 119.950 0.409 0.000 2.458 77 F HA 0.618 5.145 4.527 -0.000 0.000 0.330 77 F C 0.092 175.988 175.800 0.160 0.000 1.082 77 F CA -0.707 57.367 58.000 0.124 0.000 0.995 77 F CB 1.980 41.026 39.000 0.076 0.000 1.170 77 F HN 0.621 nan 8.300 nan 0.000 0.478 78 R N 4.291 124.874 120.500 0.139 0.000 2.320 78 R HA 0.481 4.821 4.340 -0.000 0.000 0.319 78 R C -1.572 174.560 176.300 -0.280 0.000 0.969 78 R CA -0.518 55.437 56.100 -0.242 0.000 0.857 78 R CB 0.373 30.560 30.300 -0.189 0.000 1.160 78 R HN 0.492 nan 8.270 nan 0.000 0.491 79 I N 3.602 123.968 120.570 -0.339 0.000 2.353 79 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 79 I C -0.080 175.858 176.117 -0.298 0.000 0.992 79 I CA -0.766 60.340 61.300 -0.323 0.000 1.268 79 I CB 1.271 39.088 38.000 -0.305 0.000 1.387 79 I HN 0.644 nan 8.210 nan 0.000 0.478 80 N N 3.661 122.219 118.700 -0.237 0.000 2.466 80 N HA 0.825 5.565 4.740 -0.000 0.000 0.294 80 N C -0.764 174.658 175.510 -0.147 0.000 1.129 80 N CA -0.444 52.514 53.050 -0.153 0.000 0.931 80 N CB 2.167 40.569 38.487 -0.142 0.000 1.193 80 N HN 0.814 nan 8.380 nan 0.000 0.500 81 A N 0.506 123.268 122.820 -0.095 0.000 2.594 81 A HA 0.313 4.633 4.320 -0.000 0.000 0.296 81 A C -1.315 176.281 177.584 0.021 0.000 1.056 81 A CA -0.609 51.393 52.037 -0.058 0.000 0.693 81 A CB 0.224 19.245 19.000 0.036 0.000 1.278 81 A HN 0.739 nan 8.150 nan 0.000 0.408 82 Y N 0.194 120.597 120.300 0.172 0.000 2.546 82 Y HA 0.247 4.797 4.550 -0.000 0.000 0.287 82 Y C 0.524 176.624 175.900 0.334 0.000 1.158 82 Y CA 1.027 59.243 58.100 0.195 0.000 1.307 82 Y CB 0.554 39.075 38.460 0.101 0.000 1.036 82 Y HN 0.668 nan 8.280 nan 0.000 0.532 83 D N -1.113 119.526 120.400 0.398 0.000 2.763 83 D HA 0.159 4.799 4.640 -0.000 0.000 0.235 83 D C 0.373 176.664 176.300 -0.017 0.000 1.334 83 D CA -0.341 53.785 54.000 0.209 0.000 0.950 83 D CB 1.248 42.138 40.800 0.151 0.000 1.433 83 D HN -0.083 nan 8.370 nan 0.000 0.580 84 L N 4.432 125.393 121.223 -0.437 0.000 2.012 84 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 84 L C 2.067 178.812 176.870 -0.208 0.000 1.073 84 L CA 2.643 57.171 54.840 -0.521 0.000 0.748 84 L CB -0.746 40.777 42.059 -0.893 0.000 0.891 84 L HN 0.571 nan 8.230 nan 0.000 0.431 85 A N -0.379 122.347 122.820 -0.156 0.000 1.915 85 A HA -0.342 3.978 4.320 -0.000 0.000 0.220 85 A C 2.313 179.888 177.584 -0.015 0.000 1.198 85 A CA 2.571 54.569 52.037 -0.065 0.000 0.647 85 A CB -0.712 18.266 19.000 -0.037 0.000 0.825 85 A HN 0.598 nan 8.150 nan 0.000 0.456 86 K N -0.597 119.809 120.400 0.011 0.000 2.147 86 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 86 K C 2.253 178.884 176.600 0.052 0.000 1.049 86 K CA 1.011 57.335 56.287 0.061 0.000 0.936 86 K CB -0.305 32.249 32.500 0.090 0.000 0.722 86 K HN 0.491 nan 8.250 nan 0.000 0.446 87 A N 1.434 124.256 122.820 0.004 0.000 1.897 87 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 87 A C 2.179 179.774 177.584 0.019 0.000 1.181 87 A CA 1.233 53.261 52.037 -0.016 0.000 0.620 87 A CB -0.447 18.526 19.000 -0.046 0.000 0.821 87 A HN 0.329 nan 8.150 nan 0.000 0.443 88 Q N -0.518 119.283 119.800 0.000 0.000 2.002 88 Q HA -0.199 4.140 4.340 -0.000 0.000 0.204 88 Q C 2.072 178.091 176.000 0.032 0.000 0.988 88 Q CA 2.502 58.312 55.803 0.012 0.000 0.843 88 Q CB -0.458 28.273 28.738 -0.012 0.000 0.908 88 Q HN 0.579 nan 8.270 nan 0.000 0.420 89 T N 0.824 115.401 114.554 0.037 0.000 2.649 89 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 89 T C 1.300 175.997 174.700 -0.004 0.000 1.036 89 T CA 1.816 63.944 62.100 0.047 0.000 1.157 89 T CB -0.609 68.322 68.868 0.105 0.000 0.861 89 T HN 0.436 nan 8.240 nan 0.000 0.445 90 F N 1.120 120.942 119.950 -0.213 0.000 2.084 90 F HA -0.092 4.435 4.527 -0.000 0.000 0.296 90 F C 2.252 177.912 175.800 -0.233 0.000 1.111 90 F CA 1.177 58.920 58.000 -0.428 0.000 1.224 90 F CB -0.242 38.468 39.000 -0.482 0.000 0.991 90 F HN -0.030 nan 8.300 nan 0.000 0.471 91 M N 0.263 119.947 119.600 0.140 0.000 2.149 91 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 91 M C 2.266 178.595 176.300 0.048 0.000 1.064 91 M CA 1.485 56.858 55.300 0.122 0.000 1.102 91 M CB -1.389 31.304 32.600 0.154 0.000 1.369 91 M HN 0.182 nan 8.290 nan 0.000 0.408 92 R N 0.016 120.514 120.500 -0.004 0.000 2.092 92 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 92 R C 1.978 178.229 176.300 -0.081 0.000 1.119 92 R CA 1.294 57.385 56.100 -0.015 0.000 0.970 92 R CB 0.010 30.305 30.300 -0.009 0.000 0.864 92 R HN 0.447 nan 8.270 nan 0.000 0.440 93 E N -0.955 119.143 120.200 -0.172 0.000 2.285 93 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 93 E C 1.320 177.738 176.600 -0.303 0.000 0.997 93 E CA 0.399 56.664 56.400 -0.225 0.000 0.845 93 E CB 0.044 29.607 29.700 -0.229 0.000 0.782 93 E HN 0.250 nan 8.360 nan 0.000 0.491 94 F N 1.568 121.190 119.950 -0.546 0.000 2.186 94 F HA -0.054 4.472 4.527 -0.000 0.000 0.299 94 F C 1.691 177.323 175.800 -0.280 0.000 1.090 94 F CA 1.221 58.928 58.000 -0.489 0.000 1.307 94 F CB 0.195 38.838 39.000 -0.596 0.000 1.019 94 F HN -0.235 nan 8.300 nan 0.000 0.489 95 R N -0.538 119.757 120.500 -0.342 0.000 2.319 95 R HA 0.094 4.434 4.340 -0.000 0.000 0.204 95 R C 1.604 177.753 176.300 -0.252 0.000 0.954 95 R CA 0.591 56.494 56.100 -0.329 0.000 1.066 95 R CB -0.172 30.115 30.300 -0.022 0.000 0.991 95 R HN 0.175 nan 8.270 nan 0.000 0.486 96 S N -0.626 114.922 115.700 -0.254 0.000 2.502 96 S HA 0.011 4.481 4.470 -0.000 0.000 0.215 96 S C 0.865 175.343 174.600 -0.204 0.000 1.009 96 S CA 0.022 58.114 58.200 -0.179 0.000 0.908 96 S CB 0.611 63.737 63.200 -0.123 0.000 0.801 96 S HN 0.225 nan 8.310 nan 0.000 0.505 97 T N 1.848 116.216 114.554 -0.310 0.000 2.795 97 T HA 0.033 4.383 4.350 -0.000 0.000 0.314 97 T C 1.509 176.058 174.700 -0.251 0.000 1.069 97 T CA 0.523 62.456 62.100 -0.279 0.000 1.071 97 T CB 0.612 69.266 68.868 -0.356 0.000 0.988 97 T HN 0.247 nan 8.240 nan 0.000 0.543 98 T N 2.518 116.996 114.554 -0.127 0.000 2.720 98 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 98 T C 2.035 176.724 174.700 -0.019 0.000 1.037 98 T CA 1.827 63.915 62.100 -0.020 0.000 1.144 98 T CB -0.322 68.594 68.868 0.079 0.000 0.864 98 T HN 0.583 nan 8.240 nan 0.000 0.444 99 V N 1.199 121.014 119.914 -0.165 0.000 2.488 99 V HA 0.079 4.199 4.120 -0.000 0.000 0.246 99 V C 2.911 178.741 176.094 -0.440 0.000 1.046 99 V CA 1.488 63.572 62.300 -0.360 0.000 1.053 99 V CB -1.617 29.930 31.823 -0.460 0.000 0.679 99 V HN 0.530 nan 8.190 nan 0.000 0.458 100 G N 0.016 108.363 108.800 -0.755 0.000 2.450 100 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 100 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 100 G C 1.657 176.339 174.900 -0.364 0.000 1.130 100 G CA 0.817 45.383 45.100 -0.890 0.000 0.760 100 G HN 0.498 nan 8.290 nan 0.000 0.557 101 K N -0.174 120.084 120.400 -0.237 0.000 2.217 101 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 101 K C 1.247 177.844 176.600 -0.005 0.000 1.051 101 K CA 0.915 57.151 56.287 -0.085 0.000 0.952 101 K CB 0.012 32.484 32.500 -0.046 0.000 0.736 101 K HN 0.257 nan 8.250 nan 0.000 0.453 102 N N -0.422 118.279 118.700 0.002 0.000 2.238 102 N HA 0.129 4.869 4.740 -0.000 0.000 0.222 102 N C -1.052 174.490 175.510 0.055 0.000 1.133 102 N CA -0.258 52.847 53.050 0.092 0.000 0.854 102 N CB 1.384 40.046 38.487 0.293 0.000 1.041 102 N HN 0.056 nan 8.380 nan 0.000 0.510 103 A N -0.221 122.629 122.820 0.050 0.000 2.423 103 A HA 0.615 4.935 4.320 -0.000 0.000 0.304 103 A C -1.423 176.322 177.584 0.269 0.000 1.104 103 A CA -0.748 51.387 52.037 0.163 0.000 0.757 103 A CB 1.416 20.546 19.000 0.217 0.000 1.313 103 A HN -0.022 nan 8.150 nan 0.000 0.423 104 D N 0.732 121.331 120.400 0.332 0.000 2.256 104 D HA 0.439 5.079 4.640 -0.000 0.000 0.246 104 D C -0.082 176.412 176.300 0.324 0.000 1.042 104 D CA -0.168 54.010 54.000 0.296 0.000 0.841 104 D CB 1.951 42.871 40.800 0.200 0.000 1.223 104 D HN 0.226 nan 8.370 nan 0.000 0.470 105 V N 2.136 122.109 119.914 0.098 0.000 2.763 105 V HA -0.053 4.067 4.120 -0.000 0.000 0.306 105 V C 0.698 176.697 176.094 -0.158 0.000 1.059 105 V CA 0.714 62.892 62.300 -0.204 0.000 1.138 105 V CB 0.206 31.868 31.823 -0.269 0.000 0.940 105 V HN 0.564 nan 8.190 nan 0.000 0.489 106 F N 0.589 120.431 119.950 -0.179 0.000 2.817 106 F HA 0.398 4.925 4.527 -0.000 0.000 0.333 106 F C 0.871 176.604 175.800 -0.113 0.000 1.085 106 F CA 0.084 58.018 58.000 -0.110 0.000 1.170 106 F CB 0.880 39.830 39.000 -0.083 0.000 1.066 106 F HN 0.426 nan 8.300 nan 0.000 0.564 107 E N 0.316 120.500 120.200 -0.027 0.000 2.677 107 E HA 0.201 4.551 4.350 -0.000 0.000 0.330 107 E C -1.397 175.167 176.600 -0.060 0.000 0.933 107 E CA 0.014 56.388 56.400 -0.043 0.000 0.797 107 E CB 1.725 31.409 29.700 -0.026 0.000 1.326 107 E HN -0.166 nan 8.360 nan 0.000 0.404 108 T N 3.629 118.156 114.554 -0.044 0.000 2.809 108 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 108 T C 0.030 174.742 174.700 0.019 0.000 0.992 108 T CA -0.468 61.625 62.100 -0.012 0.000 0.957 108 T CB 0.768 69.617 68.868 -0.032 0.000 0.942 108 T HN 0.201 nan 8.240 nan 0.000 0.439 109 L N 3.333 124.598 121.223 0.070 0.000 2.333 109 L HA 0.703 5.043 4.340 -0.000 0.000 0.280 109 L C -0.553 176.396 176.870 0.132 0.000 1.004 109 L CA -1.033 53.852 54.840 0.074 0.000 0.820 109 L CB 1.809 43.883 42.059 0.024 0.000 1.247 109 L HN 0.351 nan 8.230 nan 0.000 0.416 110 V N 1.970 121.944 119.914 0.099 0.000 2.513 110 V HA 0.938 5.058 4.120 -0.000 0.000 0.299 110 V C 0.309 176.497 176.094 0.157 0.000 1.035 110 V CA -0.352 62.020 62.300 0.120 0.000 0.889 110 V CB 1.712 33.584 31.823 0.081 0.000 0.988 110 V HN 0.897 nan 8.190 nan 0.000 0.440 111 G N 1.964 110.895 108.800 0.219 0.000 2.646 111 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 111 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 111 G C -2.107 173.024 174.900 0.386 0.000 1.445 111 G CA -0.486 44.783 45.100 0.283 0.000 0.814 111 G HN 0.704 nan 8.290 nan 0.000 0.495 112 V N -0.472 119.654 119.914 0.352 0.000 2.876 112 V HA 0.779 4.899 4.120 -0.000 0.000 0.312 112 V C 0.010 176.240 176.094 0.227 0.000 1.085 112 V CA -0.473 61.934 62.300 0.179 0.000 0.945 112 V CB 2.306 34.062 31.823 -0.111 0.000 1.017 112 V HN 0.892 nan 8.190 nan 0.000 0.428 113 T N 6.237 120.830 114.554 0.065 0.000 2.851 113 T HA 0.423 4.773 4.350 -0.000 0.000 0.298 113 T C -0.386 174.302 174.700 -0.020 0.000 0.977 113 T CA -0.007 62.099 62.100 0.011 0.000 1.126 113 T CB 0.322 69.124 68.868 -0.110 0.000 0.916 113 T HN 0.682 nan 8.240 nan 0.000 0.529 114 K N 3.039 123.441 120.400 0.003 0.000 2.400 114 K HA 0.569 4.889 4.320 -0.000 0.000 0.246 114 K C -2.432 174.132 176.600 -0.058 0.000 0.995 114 K CA -1.990 54.218 56.287 -0.132 0.000 0.840 114 K CB 0.994 33.228 32.500 -0.444 0.000 1.293 114 K HN 0.305 nan 8.250 nan 0.000 0.445 115 P HA 0.054 nan 4.420 nan 0.000 0.271 115 P C -0.663 176.630 177.300 -0.012 0.000 1.244 115 P CA -0.314 62.767 63.100 -0.032 0.000 0.793 115 P CB 0.389 32.064 31.700 -0.041 0.000 0.984 116 L N 1.984 123.215 121.223 0.012 0.000 2.410 116 L HA 0.083 4.423 4.340 -0.000 0.000 0.273 116 L C 1.527 178.385 176.870 -0.020 0.000 1.152 116 L CA 0.062 54.925 54.840 0.040 0.000 0.855 116 L CB 0.109 42.202 42.059 0.057 0.000 1.129 116 L HN 0.358 nan 8.230 nan 0.000 0.463 117 N N 1.571 120.234 118.700 -0.061 0.000 2.409 117 N HA -0.033 4.707 4.740 -0.000 0.000 0.174 117 N C 0.687 175.946 175.510 -0.419 0.000 1.037 117 N CA 1.071 53.928 53.050 -0.322 0.000 0.898 117 N CB 0.444 38.602 38.487 -0.549 0.000 1.010 117 N HN 0.570 nan 8.380 nan 0.000 0.445 118 Y N -0.157 120.195 120.300 0.087 0.000 2.921 118 Y HA 0.348 4.898 4.550 -0.000 0.000 0.246 118 Y C 0.939 176.875 175.900 0.061 0.000 1.030 118 Y CA -0.304 57.838 58.100 0.071 0.000 1.338 118 Y CB 0.429 38.936 38.460 0.079 0.000 1.493 118 Y HN -0.170 nan 8.280 nan 0.000 0.452 119 I N 2.401 123.114 120.570 0.238 0.000 3.184 119 I HA 0.142 4.312 4.170 -0.000 0.000 0.311 119 I C 0.445 176.626 176.117 0.107 0.000 1.243 119 I CA -0.142 61.253 61.300 0.158 0.000 1.393 119 I CB -1.888 36.203 38.000 0.151 0.000 1.471 119 I HN 0.106 nan 8.210 nan 0.000 0.540 120 S N 0.300 116.052 115.700 0.087 0.000 2.646 120 S HA 0.295 4.765 4.470 -0.000 0.000 0.276 120 S C 1.213 175.842 174.600 0.049 0.000 1.222 120 S CA -0.649 57.585 58.200 0.056 0.000 1.014 120 S CB 2.262 65.483 63.200 0.035 0.000 0.991 120 S HN 0.381 nan 8.310 nan 0.000 0.533 121 K N 0.694 121.116 120.400 0.038 0.000 2.127 121 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 121 K C 1.033 177.651 176.600 0.030 0.000 1.047 121 K CA 2.328 58.635 56.287 0.032 0.000 0.927 121 K CB -0.211 32.304 32.500 0.025 0.000 0.716 121 K HN 0.715 nan 8.250 nan 0.000 0.450 122 D N -0.362 120.054 120.400 0.027 0.000 2.202 122 D HA -0.069 4.571 4.640 -0.000 0.000 0.214 122 D C 1.665 177.982 176.300 0.030 0.000 0.967 122 D CA 0.943 54.957 54.000 0.023 0.000 0.871 122 D CB 0.024 40.833 40.800 0.016 0.000 1.020 122 D HN 0.192 nan 8.370 nan 0.000 0.474 123 K N 0.230 120.652 120.400 0.038 0.000 2.217 123 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 123 K C 0.750 177.387 176.600 0.061 0.000 1.051 123 K CA 0.473 56.790 56.287 0.050 0.000 0.952 123 K CB 0.315 32.852 32.500 0.062 0.000 0.736 123 K HN -0.119 nan 8.250 nan 0.000 0.453 124 S N 0.136 115.873 115.700 0.062 0.000 2.564 124 S HA 0.213 4.683 4.470 -0.000 0.000 0.141 124 S C -2.393 172.238 174.600 0.052 0.000 1.474 124 S CA -1.243 56.993 58.200 0.062 0.000 1.236 124 S CB 0.628 63.877 63.200 0.082 0.000 1.481 124 S HN -0.114 nan 8.310 nan 0.000 0.397 125 P HA -0.013 nan 4.420 nan 0.000 0.216 125 P C 1.612 178.934 177.300 0.036 0.000 1.150 125 P CA 1.437 64.558 63.100 0.036 0.000 0.837 125 P CB -0.161 31.556 31.700 0.028 0.000 0.786 126 G N 0.191 109.013 108.800 0.035 0.000 2.404 126 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.214 126 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.214 126 G C 1.687 176.611 174.900 0.039 0.000 1.189 126 G CA 0.360 45.479 45.100 0.033 0.000 0.789 126 G HN 0.198 nan 8.290 nan 0.000 0.533 127 L N 0.700 121.951 121.223 0.047 0.000 2.017 127 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 127 L C 2.769 179.676 176.870 0.062 0.000 1.073 127 L CA 1.317 56.191 54.840 0.057 0.000 0.745 127 L CB -0.504 41.595 42.059 0.068 0.000 0.894 127 L HN 0.304 nan 8.230 nan 0.000 0.432 128 N N 0.549 119.286 118.700 0.062 0.000 2.061 128 N HA -0.247 4.493 4.740 -0.000 0.000 0.193 128 N C 1.863 177.404 175.510 0.051 0.000 1.030 128 N CA 1.725 54.811 53.050 0.061 0.000 0.856 128 N CB 0.073 38.593 38.487 0.056 0.000 1.023 128 N HN 0.328 nan 8.380 nan 0.000 0.424 129 A N 0.586 123.432 122.820 0.043 0.000 1.884 129 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 129 A C 2.412 180.019 177.584 0.039 0.000 1.197 129 A CA 2.330 54.389 52.037 0.037 0.000 0.637 129 A CB -1.594 17.424 19.000 0.031 0.000 0.827 129 A HN 0.523 nan 8.150 nan 0.000 0.450 130 G N -0.697 108.127 108.800 0.041 0.000 2.422 130 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 130 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 130 G C 1.469 176.400 174.900 0.051 0.000 1.146 130 G CA 1.253 46.377 45.100 0.041 0.000 0.769 130 G HN 0.513 nan 8.290 nan 0.000 0.547 131 L N 1.806 123.065 121.223 0.060 0.000 1.961 131 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 131 L C 3.149 180.058 176.870 0.066 0.000 1.075 131 L CA 2.880 57.763 54.840 0.072 0.000 0.749 131 L CB -1.076 41.031 42.059 0.081 0.000 0.890 131 L HN 0.306 nan 8.230 nan 0.000 0.433 132 S N -0.954 114.781 115.700 0.058 0.000 2.402 132 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 132 S C 1.545 176.175 174.600 0.048 0.000 1.030 132 S CA 1.147 59.377 58.200 0.051 0.000 1.003 132 S CB -1.238 61.988 63.200 0.043 0.000 0.813 132 S HN 0.679 nan 8.310 nan 0.000 0.477 133 S N 0.931 116.658 115.700 0.046 0.000 2.577 133 S HA 0.761 5.231 4.470 -0.000 0.000 0.239 133 S C 0.004 174.631 174.600 0.046 0.000 1.236 133 S CA -0.365 57.860 58.200 0.042 0.000 1.233 133 S CB -0.102 63.118 63.200 0.034 0.000 0.908 133 S HN 0.772 nan 8.310 nan 0.000 0.493 134 A N 0.985 123.840 122.820 0.058 0.000 2.330 134 A HA 0.890 5.210 4.320 -0.000 0.000 0.329 134 A C -0.048 177.583 177.584 0.078 0.000 1.135 134 A CA -0.765 51.311 52.037 0.064 0.000 0.817 134 A CB 1.761 20.807 19.000 0.076 0.000 1.269 134 A HN 0.537 nan 8.150 nan 0.000 0.469 135 T N -0.398 114.205 114.554 0.081 0.000 3.032 135 T HA 0.470 4.820 4.350 -0.000 0.000 0.312 135 T C -1.470 173.304 174.700 0.124 0.000 1.078 135 T CA -0.284 61.879 62.100 0.104 0.000 1.028 135 T CB 0.599 69.512 68.868 0.076 0.000 1.091 135 T HN 0.645 nan 8.240 nan 0.000 0.457 136 Y N 3.697 124.030 120.300 0.055 0.000 2.442 136 Y HA 0.547 5.097 4.550 -0.000 0.000 0.330 136 Y C 0.116 176.044 175.900 0.046 0.000 1.129 136 Y CA 0.639 58.775 58.100 0.060 0.000 1.365 136 Y CB 0.610 39.111 38.460 0.070 0.000 1.233 136 Y HN 0.690 nan 8.280 nan 0.000 0.529 137 S N 3.234 118.695 115.700 -0.398 0.000 2.632 137 S HA 0.809 5.279 4.470 -0.000 0.000 0.289 137 S C -0.219 174.190 174.600 -0.319 0.000 1.115 137 S CA -0.296 57.779 58.200 -0.208 0.000 0.889 137 S CB 1.509 64.635 63.200 -0.124 0.000 1.116 137 S HN 1.373 nan 8.310 nan 0.000 0.486 138 G N 2.149 110.901 108.800 -0.080 0.000 2.741 138 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.222 138 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.222 138 G C -3.163 171.801 174.900 0.106 0.000 1.364 138 G CA -1.023 44.061 45.100 -0.027 0.000 0.866 138 G HN 0.611 nan 8.290 nan 0.000 0.555 139 P HA 0.466 nan 4.420 nan 0.000 0.265 139 P C 0.415 177.851 177.300 0.226 0.000 1.193 139 P CA 0.715 63.897 63.100 0.136 0.000 0.765 139 P CB 0.396 32.150 31.700 0.089 0.000 0.823 140 A N 6.124 129.033 122.820 0.150 0.000 2.567 140 A HA 0.187 4.506 4.320 -0.000 0.000 0.240 140 A C -1.663 175.947 177.584 0.043 0.000 1.053 140 A CA -0.764 51.320 52.037 0.079 0.000 0.755 140 A CB -1.322 17.687 19.000 0.014 0.000 0.978 140 A HN 0.460 nan 8.150 nan 0.000 0.507 141 P HA 0.078 nan 4.420 nan 0.000 0.263 141 P C 0.070 177.309 177.300 -0.103 0.000 1.195 141 P CA 0.195 63.296 63.100 0.002 0.000 0.762 141 P CB 0.601 32.263 31.700 -0.063 0.000 0.799 142 R N 1.783 122.173 120.500 -0.184 0.000 2.280 142 R HA 0.108 4.448 4.340 -0.000 0.000 0.195 142 R C 0.110 176.004 176.300 -0.677 0.000 0.935 142 R CA 0.638 56.441 56.100 -0.495 0.000 1.033 142 R CB 0.059 29.941 30.300 -0.698 0.000 0.964 142 R HN 0.535 nan 8.270 nan 0.000 0.489 143 Y N -1.493 118.745 120.300 -0.102 0.000 2.536 143 Y HA 0.458 5.008 4.550 -0.000 0.000 0.347 143 Y C -0.393 175.384 175.900 -0.206 0.000 1.000 143 Y CA -1.187 56.830 58.100 -0.138 0.000 1.051 143 Y CB 1.820 40.196 38.460 -0.140 0.000 1.259 143 Y HN -0.382 nan 8.280 nan 0.000 0.468 144 V N 4.631 124.497 119.914 -0.081 0.000 2.604 144 V HA 0.656 4.776 4.120 -0.000 0.000 0.305 144 V C -1.340 174.583 176.094 -0.284 0.000 1.043 144 V CA -0.728 61.390 62.300 -0.304 0.000 0.888 144 V CB 1.296 32.788 31.823 -0.551 0.000 0.995 144 V HN 0.582 nan 8.190 nan 0.000 0.429 145 I N 6.727 127.057 120.570 -0.400 0.000 2.498 145 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 145 I C -0.474 175.509 176.117 -0.223 0.000 1.032 145 I CA -0.751 60.346 61.300 -0.339 0.000 1.073 145 I CB 1.643 39.300 38.000 -0.572 0.000 1.251 145 I HN 0.276 nan 8.210 nan 0.000 0.426 146 V N 7.013 126.787 119.914 -0.233 0.000 2.487 146 V HA 0.532 4.652 4.120 -0.000 0.000 0.298 146 V C -0.181 175.795 176.094 -0.197 0.000 1.028 146 V CA -0.426 61.733 62.300 -0.235 0.000 0.860 146 V CB 2.466 34.043 31.823 -0.410 0.000 0.991 146 V HN 0.507 nan 8.190 nan 0.000 0.427 147 I N 7.436 127.946 120.570 -0.099 0.000 2.439 147 I HA 0.437 4.606 4.170 -0.000 0.000 0.285 147 I C -2.592 173.477 176.117 -0.080 0.000 1.021 147 I CA -1.884 59.344 61.300 -0.120 0.000 1.091 147 I CB 2.925 40.838 38.000 -0.146 0.000 1.242 147 I HN 0.442 nan 8.210 nan 0.000 0.439 148 P HA 0.291 nan 4.420 nan 0.000 0.286 148 P C -0.855 176.477 177.300 0.053 0.000 1.269 148 P CA -0.358 62.734 63.100 -0.014 0.000 0.787 148 P CB 1.408 33.087 31.700 -0.035 0.000 0.920 149 V N 4.036 124.048 119.914 0.163 0.000 2.628 149 V HA 0.537 4.657 4.120 -0.000 0.000 0.306 149 V C 0.099 176.380 176.094 0.311 0.000 1.045 149 V CA -0.507 61.932 62.300 0.232 0.000 0.905 149 V CB 1.850 33.830 31.823 0.262 0.000 0.997 149 V HN 0.468 nan 8.190 nan 0.000 0.436 150 K N 3.589 124.143 120.400 0.257 0.000 2.541 150 K HA 0.527 4.847 4.320 -0.000 0.000 0.250 150 K C -0.894 175.876 176.600 0.285 0.000 0.950 150 K CA -0.607 55.841 56.287 0.268 0.000 0.805 150 K CB 1.442 34.054 32.500 0.186 0.000 1.166 150 K HN 0.657 nan 8.250 nan 0.000 0.430 151 K N 2.278 122.853 120.400 0.293 0.000 2.118 151 K HA 0.217 4.537 4.320 -0.000 0.000 0.267 151 K C 0.047 176.798 176.600 0.252 0.000 0.991 151 K CA -1.073 55.281 56.287 0.113 0.000 0.916 151 K CB 0.714 32.961 32.500 -0.421 0.000 1.041 151 K HN 0.714 nan 8.250 nan 0.000 0.455 152 N N 0.559 119.397 118.700 0.231 0.000 2.317 152 N HA 0.023 4.763 4.740 -0.000 0.000 0.245 152 N C 0.699 176.433 175.510 0.374 0.000 1.294 152 N CA 0.108 53.332 53.050 0.290 0.000 0.924 152 N CB 0.289 38.918 38.487 0.236 0.000 1.186 152 N HN 0.559 nan 8.380 nan 0.000 0.495 153 A N -0.283 122.740 122.820 0.339 0.000 1.940 153 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 153 A C 1.907 179.640 177.584 0.248 0.000 1.176 153 A CA 1.240 53.475 52.037 0.332 0.000 0.631 153 A CB -0.779 18.349 19.000 0.213 0.000 0.814 153 A HN 0.751 nan 8.150 nan 0.000 0.446 154 E N -0.725 119.604 120.200 0.214 0.000 2.070 154 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 154 E C 1.812 178.416 176.600 0.007 0.000 1.004 154 E CA 1.278 57.779 56.400 0.169 0.000 0.805 154 E CB -0.452 29.427 29.700 0.299 0.000 0.744 154 E HN 0.902 nan 8.360 nan 0.000 0.451 155 W N 0.167 121.288 121.300 -0.299 0.000 2.353 155 W HA -0.222 4.438 4.660 -0.000 0.000 0.319 155 W C 1.712 177.980 176.519 -0.419 0.000 1.207 155 W CA 1.159 58.044 57.345 -0.768 0.000 1.291 155 W CB -0.956 27.991 29.460 -0.855 0.000 1.159 155 W HN 0.114 nan 8.180 nan 0.000 0.478 156 W N 0.862 122.150 121.300 -0.020 0.000 2.421 156 W HA -0.161 4.499 4.660 -0.000 0.000 0.270 156 W C 1.928 178.349 176.519 -0.164 0.000 1.233 156 W CA 1.061 58.355 57.345 -0.085 0.000 1.226 156 W CB -0.787 28.735 29.460 0.103 0.000 1.121 156 W HN -0.048 nan 8.180 nan 0.000 0.579 157 N N -0.399 118.335 118.700 0.058 0.000 2.467 157 N HA 0.047 4.787 4.740 -0.000 0.000 0.184 157 N C 0.499 175.949 175.510 -0.100 0.000 1.106 157 N CA 0.368 53.420 53.050 0.002 0.000 0.892 157 N CB -0.088 38.421 38.487 0.036 0.000 0.969 157 N HN -0.034 nan 8.380 nan 0.000 0.454 158 M N 0.724 120.174 119.600 -0.252 0.000 2.248 158 M HA 0.049 4.529 4.480 -0.000 0.000 0.337 158 M C 0.589 176.736 176.300 -0.254 0.000 1.121 158 M CA -0.200 54.918 55.300 -0.302 0.000 1.155 158 M CB 0.704 32.984 32.600 -0.532 0.000 1.514 158 M HN 0.113 nan 8.290 nan 0.000 0.452 159 S N 2.572 118.169 115.700 -0.172 0.000 2.579 159 S HA 0.160 4.630 4.470 -0.000 0.000 0.275 159 S C -2.061 172.465 174.600 -0.125 0.000 1.345 159 S CA -1.160 56.973 58.200 -0.111 0.000 1.031 159 S CB 0.252 63.409 63.200 -0.072 0.000 0.892 159 S HN 0.479 nan 8.310 nan 0.000 0.529 160 P HA -0.054 nan 4.420 nan 0.000 0.223 160 P C 0.793 178.107 177.300 0.023 0.000 1.144 160 P CA 1.039 64.143 63.100 0.007 0.000 0.783 160 P CB 0.052 31.766 31.700 0.023 0.000 0.771 161 E N -0.079 120.109 120.200 -0.021 0.000 2.016 161 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 161 E C 1.963 178.530 176.600 -0.055 0.000 0.985 161 E CA 1.086 57.477 56.400 -0.016 0.000 0.802 161 E CB -0.767 28.923 29.700 -0.018 0.000 0.762 161 E HN 0.337 nan 8.360 nan 0.000 0.448 162 E N 0.529 120.667 120.200 -0.104 0.000 2.097 162 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 162 E C 2.133 178.591 176.600 -0.236 0.000 1.000 162 E CA 1.103 57.416 56.400 -0.145 0.000 0.804 162 E CB -0.125 29.475 29.700 -0.166 0.000 0.740 162 E HN 0.147 nan 8.360 nan 0.000 0.454 163 R N 0.251 120.530 120.500 -0.367 0.000 2.092 163 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 163 R C 2.518 178.588 176.300 -0.383 0.000 1.119 163 R CA 0.765 56.509 56.100 -0.594 0.000 0.970 163 R CB -0.421 29.423 30.300 -0.759 0.000 0.864 163 R HN 0.127 nan 8.270 nan 0.000 0.440 164 L N 1.999 123.153 121.223 -0.115 0.000 2.042 164 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 164 L C 2.238 179.077 176.870 -0.051 0.000 1.076 164 L CA 1.873 56.716 54.840 0.004 0.000 0.749 164 L CB -0.443 41.719 42.059 0.171 0.000 0.893 164 L HN 0.021 nan 8.230 nan 0.000 0.432 165 K N -0.859 119.513 120.400 -0.047 0.000 2.025 165 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 165 K C 1.875 178.469 176.600 -0.011 0.000 1.049 165 K CA 1.472 57.749 56.287 -0.017 0.000 0.933 165 K CB -0.072 32.420 32.500 -0.014 0.000 0.714 165 K HN 0.356 nan 8.250 nan 0.000 0.438 166 E N 0.428 120.619 120.200 -0.016 0.000 2.150 166 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 166 E C 1.951 178.567 176.600 0.027 0.000 0.985 166 E CA 0.930 57.364 56.400 0.057 0.000 0.814 166 E CB -0.115 29.706 29.700 0.202 0.000 0.752 166 E HN 0.362 nan 8.360 nan 0.000 0.466 167 M N 0.429 119.975 119.600 -0.090 0.000 2.319 167 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 167 M C 1.777 178.087 176.300 0.016 0.000 1.068 167 M CA 1.002 56.219 55.300 -0.137 0.000 1.118 167 M CB -0.689 31.619 32.600 -0.488 0.000 1.395 167 M HN 0.093 nan 8.290 nan 0.000 0.435 168 E N -0.382 119.831 120.200 0.023 0.000 2.150 168 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 168 E C 2.083 178.721 176.600 0.064 0.000 0.985 168 E CA 0.826 57.261 56.400 0.059 0.000 0.814 168 E CB 0.113 29.841 29.700 0.047 0.000 0.752 168 E HN 0.229 nan 8.360 nan 0.000 0.466 169 V N 0.345 120.293 119.914 0.057 0.000 2.453 169 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 169 V C 2.112 178.249 176.094 0.071 0.000 1.048 169 V CA 1.993 64.324 62.300 0.051 0.000 1.049 169 V CB -0.509 31.335 31.823 0.037 0.000 0.672 169 V HN 0.341 nan 8.190 nan 0.000 0.457 170 H N 0.704 119.765 119.070 -0.016 0.000 2.353 170 H HA -0.183 4.373 4.556 -0.000 0.000 0.298 170 H C 2.265 177.605 175.328 0.019 0.000 1.103 170 H CA 2.403 58.444 56.048 -0.012 0.000 1.293 170 H CB -0.018 29.722 29.762 -0.036 0.000 1.372 170 H HN 0.399 nan 8.280 nan 0.000 0.501 171 T N -1.115 113.528 114.554 0.150 0.000 2.896 171 T HA -0.080 4.269 4.350 -0.000 0.000 0.263 171 T C 1.929 176.663 174.700 0.057 0.000 1.050 171 T CA 1.300 63.472 62.100 0.120 0.000 1.140 171 T CB -0.273 68.681 68.868 0.144 0.000 0.877 171 T HN 0.421 nan 8.240 nan 0.000 0.457 172 T N 2.740 117.321 114.554 0.045 0.000 2.652 172 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 172 T C -0.263 174.454 174.700 0.028 0.000 1.039 172 T CA 1.300 63.420 62.100 0.034 0.000 1.153 172 T CB -1.139 67.745 68.868 0.027 0.000 0.863 172 T HN 0.422 nan 8.240 nan 0.000 0.428 173 P HA 0.069 nan 4.420 nan 0.000 0.240 173 P C 1.277 178.654 177.300 0.128 0.000 1.190 173 P CA 0.953 64.085 63.100 0.052 0.000 0.781 173 P CB -0.249 31.473 31.700 0.037 0.000 0.931 174 T N -2.727 111.871 114.554 0.074 0.000 3.035 174 T HA 0.081 4.431 4.350 -0.000 0.000 0.259 174 T C 2.007 176.816 174.700 0.182 0.000 1.078 174 T CA 0.115 62.290 62.100 0.125 0.000 1.132 174 T CB -1.001 67.832 68.868 -0.059 0.000 0.900 174 T HN -0.033 nan 8.240 nan 0.000 0.480 175 L N 1.434 122.721 121.223 0.107 0.000 1.990 175 L HA -0.143 4.197 4.340 -0.000 0.000 0.213 175 L C 3.312 180.218 176.870 0.060 0.000 1.072 175 L CA 1.630 56.522 54.840 0.088 0.000 0.755 175 L CB -0.951 41.142 42.059 0.056 0.000 0.889 175 L HN 0.380 nan 8.230 nan 0.000 0.432 176 A N -0.724 122.089 122.820 -0.011 0.000 2.009 176 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 176 A C 1.891 179.353 177.584 -0.204 0.000 1.175 176 A CA 1.877 53.825 52.037 -0.148 0.000 0.651 176 A CB -1.003 17.831 19.000 -0.276 0.000 0.815 176 A HN 0.520 nan 8.150 nan 0.000 0.459 177 Y N -0.549 119.752 120.300 0.003 0.000 2.578 177 Y HA 0.160 4.710 4.550 -0.000 0.000 0.297 177 Y C 1.683 177.620 175.900 0.062 0.000 1.176 177 Y CA 0.307 58.417 58.100 0.018 0.000 1.315 177 Y CB -0.253 38.207 38.460 0.001 0.000 1.031 177 Y HN 0.203 nan 8.280 nan 0.000 0.524 178 L N -0.198 121.125 121.223 0.167 0.000 2.549 178 L HA -0.107 4.233 4.340 -0.000 0.000 0.229 178 L C 1.910 178.845 176.870 0.109 0.000 1.158 178 L CA 0.445 55.386 54.840 0.168 0.000 0.842 178 L CB -0.367 41.777 42.059 0.142 0.000 0.952 178 L HN 0.251 nan 8.230 nan 0.000 0.452 179 V N -4.973 114.947 119.914 0.010 0.000 3.406 179 V HA 0.106 4.225 4.120 -0.000 0.000 0.263 179 V C 1.502 177.415 176.094 -0.302 0.000 1.172 179 V CA 0.989 63.220 62.300 -0.116 0.000 1.140 179 V CB -0.232 31.522 31.823 -0.116 0.000 0.784 179 V HN 0.346 nan 8.190 nan 0.000 0.467 180 N N -0.244 118.393 118.700 -0.106 0.000 2.317 180 N HA 0.300 5.040 4.740 -0.000 0.000 0.199 180 N C -0.186 175.474 175.510 0.251 0.000 1.145 180 N CA 0.608 53.632 53.050 -0.042 0.000 0.882 180 N CB 1.777 40.341 38.487 0.129 0.000 1.113 180 N HN 0.420 nan 8.380 nan 0.000 0.486 181 V N 0.883 121.040 119.914 0.406 0.000 2.817 181 V HA 0.365 4.485 4.120 -0.000 0.000 0.303 181 V C -0.789 175.581 176.094 0.461 0.000 1.151 181 V CA -0.992 61.593 62.300 0.475 0.000 0.929 181 V CB 2.713 34.801 31.823 0.443 0.000 1.030 181 V HN -0.127 nan 8.190 nan 0.000 0.427 182 K N 3.547 124.161 120.400 0.358 0.000 2.156 182 K HA 0.841 5.161 4.320 -0.000 0.000 0.254 182 K C -0.501 176.225 176.600 0.211 0.000 0.950 182 K CA -0.879 55.552 56.287 0.240 0.000 0.849 182 K CB 2.279 34.843 32.500 0.107 0.000 1.100 182 K HN 0.834 nan 8.250 nan 0.000 0.434 183 R N 0.807 121.384 120.500 0.128 0.000 2.744 183 R HA 0.532 4.871 4.340 -0.000 0.000 0.279 183 R C -1.360 174.914 176.300 -0.044 0.000 0.977 183 R CA -1.150 54.908 56.100 -0.069 0.000 0.906 183 R CB 1.865 32.163 30.300 -0.004 0.000 1.197 183 R HN 0.417 nan 8.270 nan 0.000 0.463 184 K N 2.443 122.779 120.400 -0.107 0.000 2.513 184 K HA 0.361 4.680 4.320 -0.000 0.000 0.251 184 K C -1.873 174.669 176.600 -0.097 0.000 0.939 184 K CA -0.976 55.262 56.287 -0.081 0.000 0.793 184 K CB 2.004 34.464 32.500 -0.067 0.000 1.241 184 K HN 0.528 nan 8.250 nan 0.000 0.431 185 L N 4.962 126.102 121.223 -0.139 0.000 2.305 185 L HA 0.466 4.805 4.340 -0.000 0.000 0.284 185 L C -1.758 175.046 176.870 -0.110 0.000 1.013 185 L CA -0.158 54.637 54.840 -0.076 0.000 0.819 185 L CB 0.582 42.590 42.059 -0.085 0.000 1.227 185 L HN 0.554 nan 8.230 nan 0.000 0.417 186 Y N 3.106 123.441 120.300 0.058 0.000 2.420 186 Y HA 0.528 5.078 4.550 -0.000 0.000 0.334 186 Y C -0.293 175.666 175.900 0.099 0.000 1.094 186 Y CA -0.563 57.621 58.100 0.140 0.000 1.126 186 Y CB 1.315 39.897 38.460 0.204 0.000 1.217 186 Y HN 0.557 nan 8.280 nan 0.000 0.462 187 H N -0.385 118.891 119.070 0.343 0.000 2.459 187 H HA 0.393 4.949 4.556 -0.000 0.000 0.332 187 H C -0.107 175.302 175.328 0.135 0.000 1.094 187 H CA -0.502 55.692 56.048 0.243 0.000 1.224 187 H CB 1.723 31.603 29.762 0.195 0.000 1.449 187 H HN 0.632 nan 8.280 nan 0.000 0.484 188 S N 0.587 116.351 115.700 0.107 0.000 2.604 188 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 188 S C 0.166 174.766 174.600 -0.000 0.000 1.043 188 S CA -0.284 57.958 58.200 0.070 0.000 0.997 188 S CB 0.434 63.670 63.200 0.060 0.000 0.956 188 S HN 0.671 nan 8.310 nan 0.000 0.535 189 T N 2.971 117.475 114.554 -0.084 0.000 2.542 189 T HA 0.287 4.637 4.350 -0.000 0.000 0.246 189 T C 1.373 176.025 174.700 -0.081 0.000 1.052 189 T CA 1.150 63.172 62.100 -0.130 0.000 1.251 189 T CB -0.430 68.279 68.868 -0.265 0.000 1.031 189 T HN 0.645 nan 8.240 nan 0.000 0.498 190 G N 2.579 111.344 108.800 -0.057 0.000 2.217 190 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 190 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 190 G C 0.681 175.579 174.900 -0.003 0.000 0.990 190 G CA 0.197 45.275 45.100 -0.037 0.000 0.627 190 G HN 0.660 nan 8.290 nan 0.000 0.522 191 L N -0.600 120.634 121.223 0.018 0.000 2.515 191 L HA 0.540 4.880 4.340 -0.000 0.000 0.223 191 L C 0.777 177.669 176.870 0.036 0.000 1.079 191 L CA 0.620 55.487 54.840 0.045 0.000 0.857 191 L CB 0.463 42.582 42.059 0.099 0.000 1.050 191 L HN 0.232 nan 8.230 nan 0.000 0.476 192 D N -2.104 118.312 120.400 0.026 0.000 2.725 192 D HA 0.109 4.749 4.640 -0.000 0.000 0.292 192 D C -1.232 175.076 176.300 0.013 0.000 1.288 192 D CA -0.597 53.416 54.000 0.021 0.000 0.784 192 D CB 1.339 42.159 40.800 0.034 0.000 1.308 192 D HN -0.172 nan 8.370 nan 0.000 0.429 193 D N 1.000 121.408 120.400 0.013 0.000 2.848 193 D HA 0.187 4.826 4.640 -0.000 0.000 0.232 193 D C -0.483 175.833 176.300 0.026 0.000 1.107 193 D CA 0.753 54.764 54.000 0.017 0.000 1.020 193 D CB -0.108 40.701 40.800 0.015 0.000 1.148 193 D HN 0.172 nan 8.370 nan 0.000 0.453 194 T N -1.163 113.404 114.554 0.022 0.000 2.893 194 T HA 0.051 4.401 4.350 -0.000 0.000 0.337 194 T C -0.033 174.652 174.700 -0.025 0.000 1.587 194 T CA -0.655 61.465 62.100 0.033 0.000 1.066 194 T CB 1.600 70.494 68.868 0.044 0.000 1.414 194 T HN -0.235 nan 8.240 nan 0.000 0.488 195 D N 0.926 121.285 120.400 -0.069 0.000 2.194 195 D HA 0.220 4.860 4.640 -0.000 0.000 0.204 195 D C 0.041 175.820 176.300 -0.868 0.000 0.964 195 D CA 1.327 55.061 54.000 -0.444 0.000 0.846 195 D CB 0.164 40.742 40.800 -0.370 0.000 0.962 195 D HN 0.415 nan 8.370 nan 0.000 0.490 196 F N -0.640 119.393 119.950 0.138 0.000 2.631 196 F HA 0.448 4.975 4.527 -0.000 0.000 0.308 196 F C -0.444 175.381 175.800 0.041 0.000 1.097 196 F CA -1.018 57.025 58.000 0.071 0.000 0.952 196 F CB 1.567 40.589 39.000 0.036 0.000 1.307 196 F HN -0.394 nan 8.300 nan 0.000 0.450 197 I N 1.648 122.356 120.570 0.231 0.000 2.389 197 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 197 I C -0.399 175.781 176.117 0.105 0.000 0.999 197 I CA -0.620 60.712 61.300 0.053 0.000 1.129 197 I CB 2.045 39.962 38.000 -0.139 0.000 1.288 197 I HN 0.667 nan 8.210 nan 0.000 0.444 198 T N 2.699 117.274 114.554 0.036 0.000 2.859 198 T HA 0.542 4.891 4.350 -0.000 0.000 0.281 198 T C -0.998 173.663 174.700 -0.066 0.000 1.005 198 T CA -0.644 61.466 62.100 0.018 0.000 1.025 198 T CB 1.625 70.583 68.868 0.150 0.000 0.977 198 T HN 0.453 nan 8.240 nan 0.000 0.458 199 Y N 2.499 122.558 120.300 -0.402 0.000 2.425 199 Y HA 0.670 5.220 4.550 -0.000 0.000 0.344 199 Y C -2.034 173.465 175.900 -0.668 0.000 0.969 199 Y CA -1.731 56.201 58.100 -0.281 0.000 1.052 199 Y CB 1.556 40.074 38.460 0.097 0.000 1.215 199 Y HN 0.738 nan 8.280 nan 0.000 0.451 200 F N 3.503 123.141 119.950 -0.519 0.000 2.561 200 F HA 0.445 4.972 4.527 -0.000 0.000 0.313 200 F C -0.709 174.741 175.800 -0.584 0.000 1.126 200 F CA -0.883 56.900 58.000 -0.362 0.000 0.918 200 F CB 2.101 40.947 39.000 -0.256 0.000 1.199 200 F HN 0.407 nan 8.300 nan 0.000 0.444 201 E N 1.181 121.310 120.200 -0.119 0.000 2.195 201 E HA 0.690 5.040 4.350 -0.000 0.000 0.271 201 E C -0.760 175.866 176.600 0.044 0.000 0.923 201 E CA -0.810 55.531 56.400 -0.097 0.000 0.790 201 E CB 2.779 32.453 29.700 -0.042 0.000 1.155 201 E HN 0.562 nan 8.360 nan 0.000 0.402 202 T N 0.498 115.081 114.554 0.049 0.000 2.739 202 T HA 0.167 4.517 4.350 -0.000 0.000 0.303 202 T C -0.851 173.986 174.700 0.229 0.000 1.389 202 T CA -0.362 61.853 62.100 0.192 0.000 1.001 202 T CB 1.756 70.728 68.868 0.173 0.000 1.436 202 T HN 0.471 nan 8.240 nan 0.000 0.500 203 D N -0.259 120.307 120.400 0.275 0.000 2.531 203 D HA 0.215 4.855 4.640 -0.000 0.000 0.263 203 D C -0.249 176.203 176.300 0.254 0.000 1.057 203 D CA -0.031 54.135 54.000 0.275 0.000 0.909 203 D CB 0.460 41.386 40.800 0.210 0.000 1.236 203 D HN 0.387 nan 8.370 nan 0.000 0.494 204 D N 1.012 121.519 120.400 0.179 0.000 2.422 204 D HA 0.078 4.718 4.640 -0.000 0.000 0.227 204 D C 1.351 177.703 176.300 0.088 0.000 1.190 204 D CA -0.012 54.060 54.000 0.119 0.000 0.905 204 D CB 0.564 41.427 40.800 0.106 0.000 1.034 204 D HN 0.178 nan 8.370 nan 0.000 0.507 205 L N 2.205 123.425 121.223 -0.006 0.000 2.056 205 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 205 L C 2.156 179.018 176.870 -0.013 0.000 1.078 205 L CA 0.933 55.724 54.840 -0.082 0.000 0.749 205 L CB -0.424 41.467 42.059 -0.280 0.000 0.901 205 L HN 0.372 nan 8.230 nan 0.000 0.433 206 T N 0.211 114.759 114.554 -0.010 0.000 2.665 206 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 206 T C 2.007 176.722 174.700 0.025 0.000 1.035 206 T CA 1.489 63.589 62.100 0.000 0.000 1.151 206 T CB -0.309 68.563 68.868 0.006 0.000 0.862 206 T HN 0.465 nan 8.240 nan 0.000 0.438 207 A N 0.890 123.754 122.820 0.073 0.000 1.902 207 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 207 A C 2.040 179.642 177.584 0.030 0.000 1.181 207 A CA 1.425 53.543 52.037 0.135 0.000 0.623 207 A CB -1.026 18.096 19.000 0.203 0.000 0.818 207 A HN 0.465 nan 8.150 nan 0.000 0.443 208 F N 1.422 121.305 119.950 -0.111 0.000 2.134 208 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 208 F C 2.219 177.841 175.800 -0.296 0.000 1.097 208 F CA 1.818 59.676 58.000 -0.236 0.000 1.264 208 F CB -0.290 38.574 39.000 -0.227 0.000 1.001 208 F HN 0.423 nan 8.300 nan 0.000 0.479 209 N N 0.377 118.993 118.700 -0.139 0.000 2.043 209 N HA -0.269 4.471 4.740 -0.000 0.000 0.193 209 N C 1.636 176.984 175.510 -0.270 0.000 1.037 209 N CA 1.688 54.620 53.050 -0.197 0.000 0.851 209 N CB -0.440 37.989 38.487 -0.098 0.000 1.027 209 N HN 0.280 nan 8.380 nan 0.000 0.422 210 N N 1.226 119.803 118.700 -0.206 0.000 2.137 210 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 210 N C 1.846 177.099 175.510 -0.429 0.000 1.017 210 N CA 0.742 53.679 53.050 -0.189 0.000 0.859 210 N CB -0.511 37.978 38.487 0.005 0.000 1.002 210 N HN 0.362 nan 8.380 nan 0.000 0.428 211 L N 0.524 121.247 121.223 -0.833 0.000 2.027 211 L HA -0.013 4.327 4.340 -0.000 0.000 0.206 211 L C 2.134 178.564 176.870 -0.732 0.000 1.074 211 L CA 1.486 55.611 54.840 -1.192 0.000 0.745 211 L CB -0.497 40.696 42.059 -1.443 0.000 0.898 211 L HN 0.036 nan 8.230 nan 0.000 0.433 212 M N -0.799 118.353 119.600 -0.746 0.000 2.159 212 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 212 M C 2.398 178.600 176.300 -0.164 0.000 1.063 212 M CA 1.676 56.690 55.300 -0.477 0.000 1.110 212 M CB -0.932 31.299 32.600 -0.615 0.000 1.374 212 M HN 0.373 nan 8.290 nan 0.000 0.411 213 L N -0.658 120.449 121.223 -0.193 0.000 2.079 213 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 213 L C 2.523 179.349 176.870 -0.073 0.000 1.081 213 L CA 0.988 55.778 54.840 -0.084 0.000 0.752 213 L CB -0.521 41.484 42.059 -0.090 0.000 0.896 213 L HN 0.288 nan 8.230 nan 0.000 0.433 214 S N -0.224 115.397 115.700 -0.131 0.000 2.356 214 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 214 S C 1.778 176.328 174.600 -0.083 0.000 1.032 214 S CA 1.088 59.231 58.200 -0.095 0.000 1.005 214 S CB -0.175 62.958 63.200 -0.112 0.000 0.867 214 S HN 0.183 nan 8.310 nan 0.000 0.449 215 L N 1.346 122.518 121.223 -0.085 0.000 2.217 215 L HA 0.193 4.533 4.340 -0.000 0.000 0.211 215 L C 2.429 179.288 176.870 -0.019 0.000 1.107 215 L CA 1.004 55.827 54.840 -0.028 0.000 0.783 215 L CB -1.392 40.698 42.059 0.052 0.000 0.919 215 L HN 0.278 nan 8.230 nan 0.000 0.442 216 A N -1.333 121.504 122.820 0.029 0.000 1.972 216 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 216 A C 2.060 179.559 177.584 -0.142 0.000 1.169 216 A CA 1.265 53.239 52.037 -0.105 0.000 0.635 216 A CB -0.368 18.665 19.000 0.056 0.000 0.810 216 A HN 0.541 nan 8.150 nan 0.000 0.446 217 Q N -0.451 119.297 119.800 -0.088 0.000 2.365 217 Q HA 0.190 4.530 4.340 -0.000 0.000 0.203 217 Q C 0.104 176.051 176.000 -0.088 0.000 0.929 217 Q CA 0.233 55.987 55.803 -0.082 0.000 0.948 217 Q CB 0.225 28.930 28.738 -0.055 0.000 1.043 217 Q HN 0.653 nan 8.270 nan 0.000 0.505 218 V N -3.554 116.296 119.914 -0.106 0.000 2.919 218 V HA 0.323 4.443 4.120 -0.000 0.000 0.316 218 V C 0.904 176.920 176.094 -0.130 0.000 1.077 218 V CA -0.986 61.259 62.300 -0.091 0.000 0.977 218 V CB 1.958 33.749 31.823 -0.054 0.000 1.039 218 V HN -0.055 nan 8.190 nan 0.000 0.441 219 K N 0.535 120.881 120.400 -0.090 0.000 2.089 219 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 219 K C 1.935 178.456 176.600 -0.130 0.000 1.048 219 K CA 2.458 58.685 56.287 -0.100 0.000 0.926 219 K CB -0.207 32.300 32.500 0.011 0.000 0.714 219 K HN 0.956 nan 8.250 nan 0.000 0.448 220 E N 0.794 120.971 120.200 -0.039 0.000 2.086 220 E HA -0.314 4.036 4.350 -0.000 0.000 0.200 220 E C 1.843 178.122 176.600 -0.536 0.000 1.012 220 E CA 1.677 58.003 56.400 -0.123 0.000 0.812 220 E CB -0.336 29.230 29.700 -0.222 0.000 0.743 220 E HN 0.490 nan 8.360 nan 0.000 0.453 221 N N 0.330 118.700 118.700 -0.551 0.000 2.192 221 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 221 N C 1.664 176.786 175.510 -0.646 0.000 1.013 221 N CA 1.167 53.789 53.050 -0.712 0.000 0.863 221 N CB -0.010 38.144 38.487 -0.554 0.000 0.990 221 N HN 0.146 nan 8.380 nan 0.000 0.430 222 K N -0.436 119.611 120.400 -0.587 0.000 2.218 222 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 222 K C 1.077 177.261 176.600 -0.693 0.000 1.046 222 K CA 1.231 57.133 56.287 -0.643 0.000 0.933 222 K CB -0.143 31.904 32.500 -0.755 0.000 0.728 222 K HN 0.309 nan 8.250 nan 0.000 0.454 223 F N -0.358 119.368 119.950 -0.373 0.000 2.765 223 F HA 0.060 4.587 4.527 -0.000 0.000 0.302 223 F C 0.717 176.359 175.800 -0.263 0.000 1.111 223 F CA -0.306 57.525 58.000 -0.281 0.000 1.359 223 F CB 0.056 38.892 39.000 -0.274 0.000 1.097 223 F HN -0.050 nan 8.300 nan 0.000 0.577 224 H N 0.551 119.521 119.070 -0.168 0.000 2.683 224 H HA 0.200 4.755 4.556 -0.000 0.000 0.339 224 H C 1.131 176.423 175.328 -0.061 0.000 1.081 224 H CA 0.023 55.975 56.048 -0.161 0.000 1.432 224 H CB 1.823 31.364 29.762 -0.368 0.000 1.462 224 H HN 0.083 nan 8.280 nan 0.000 0.557 225 V N 1.087 121.098 119.914 0.161 0.000 3.604 225 V HA 0.363 4.483 4.120 -0.000 0.000 0.277 225 V C 0.711 176.877 176.094 0.120 0.000 1.399 225 V CA 0.076 62.447 62.300 0.119 0.000 1.034 225 V CB 0.450 32.343 31.823 0.117 0.000 0.824 225 V HN 0.503 nan 8.190 nan 0.000 0.439 226 R N -0.649 119.936 120.500 0.142 0.000 2.564 226 R HA 0.427 4.766 4.340 -0.000 0.000 0.284 226 R C -2.391 174.007 176.300 0.164 0.000 1.031 226 R CA -0.467 55.711 56.100 0.130 0.000 0.904 226 R CB 2.143 32.505 30.300 0.104 0.000 1.199 226 R HN 0.326 nan 8.270 nan 0.000 0.443 227 W N 5.151 126.382 121.300 -0.116 0.000 1.169 227 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 227 W C -0.379 176.062 176.519 -0.129 0.000 0.906 227 W CA 0.656 57.876 57.345 -0.209 0.000 1.379 227 W CB 0.510 29.794 29.460 -0.292 0.000 1.491 227 W HN 1.030 nan 8.180 nan 0.000 0.459 228 G N 0.449 109.193 108.800 -0.092 0.000 2.317 228 G HA2 0.098 4.058 3.960 -0.000 0.000 0.196 228 G HA3 0.098 4.058 3.960 -0.000 0.000 0.196 228 G C 0.189 175.050 174.900 -0.066 0.000 1.255 228 G CA -0.131 44.887 45.100 -0.138 0.000 1.243 228 G HN 0.754 nan 8.290 nan 0.000 0.535 229 S N 1.267 116.931 115.700 -0.060 0.000 3.310 229 S HA -0.078 4.392 4.470 -0.000 0.000 0.381 229 S C -2.067 172.508 174.600 -0.042 0.000 0.908 229 S CA 1.374 59.553 58.200 -0.036 0.000 1.333 229 S CB -1.220 61.978 63.200 -0.003 0.000 0.931 229 S HN 0.916 nan 8.310 nan 0.000 0.570 230 P HA 0.444 nan 4.420 nan 0.000 0.296 230 P C -0.529 176.686 177.300 -0.142 0.000 1.301 230 P CA -0.528 62.513 63.100 -0.097 0.000 0.862 230 P CB 1.094 32.733 31.700 -0.101 0.000 1.046 231 T N 2.078 116.543 114.554 -0.148 0.000 2.737 231 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 231 T C 0.042 174.629 174.700 -0.188 0.000 0.922 231 T CA 0.356 62.345 62.100 -0.185 0.000 1.079 231 T CB -0.387 68.365 68.868 -0.194 0.000 0.892 231 T HN 0.273 nan 8.240 nan 0.000 0.514 232 T N 5.087 119.501 114.554 -0.234 0.000 2.788 232 T HA 0.483 4.833 4.350 -0.000 0.000 0.296 232 T C -0.695 173.870 174.700 -0.224 0.000 1.009 232 T CA -0.658 61.284 62.100 -0.264 0.000 0.949 232 T CB 0.583 69.183 68.868 -0.447 0.000 0.946 232 T HN 0.339 nan 8.240 nan 0.000 0.453 233 L N 3.513 124.656 121.223 -0.134 0.000 2.343 233 L HA 0.904 5.244 4.340 -0.000 0.000 0.278 233 L C -0.107 176.790 176.870 0.045 0.000 0.996 233 L CA -0.036 54.750 54.840 -0.091 0.000 0.831 233 L CB 0.945 42.915 42.059 -0.148 0.000 1.232 233 L HN 0.689 nan 8.230 nan 0.000 0.413 234 G N 1.799 110.687 108.800 0.145 0.000 3.135 234 G HA2 0.569 4.529 3.960 -0.000 0.000 0.278 234 G HA3 0.569 4.529 3.960 -0.000 0.000 0.278 234 G C -1.329 173.679 174.900 0.180 0.000 1.302 234 G CA -0.504 44.728 45.100 0.220 0.000 0.880 234 G HN 0.517 nan 8.290 nan 0.000 0.574 235 T N 0.495 115.133 114.554 0.140 0.000 2.809 235 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 235 T C -0.105 174.499 174.700 -0.161 0.000 0.992 235 T CA -0.302 61.785 62.100 -0.022 0.000 0.957 235 T CB 0.385 69.285 68.868 0.054 0.000 0.942 235 T HN 0.349 nan 8.240 nan 0.000 0.439 236 I N 6.307 126.709 120.570 -0.281 0.000 2.556 236 I HA 0.321 4.491 4.170 -0.000 0.000 0.284 236 I C 0.643 176.429 176.117 -0.551 0.000 1.114 236 I CA -0.064 61.139 61.300 -0.162 0.000 1.418 236 I CB 0.315 38.278 38.000 -0.062 0.000 1.394 236 I HN 0.550 nan 8.210 nan 0.000 0.552 237 H N 2.685 121.726 119.070 -0.047 0.000 2.966 237 H HA 0.289 4.844 4.556 -0.000 0.000 0.330 237 H C -0.607 174.638 175.328 -0.138 0.000 1.292 237 H CA -0.890 55.105 56.048 -0.088 0.000 1.127 237 H CB 1.761 31.471 29.762 -0.088 0.000 1.863 237 H HN 0.569 nan 8.280 nan 0.000 0.543 238 S N 1.552 117.271 115.700 0.031 0.000 2.576 238 S HA 0.061 4.531 4.470 -0.000 0.000 0.276 238 S C -1.625 172.921 174.600 -0.091 0.000 1.339 238 S CA -0.900 57.271 58.200 -0.048 0.000 1.039 238 S CB 1.382 64.567 63.200 -0.026 0.000 0.902 238 S HN 0.394 nan 8.310 nan 0.000 0.516 239 P HA -0.263 nan 4.420 nan 0.000 0.216 239 P C 1.328 178.554 177.300 -0.123 0.000 1.157 239 P CA 2.041 65.044 63.100 -0.161 0.000 0.880 239 P CB -0.137 31.510 31.700 -0.089 0.000 0.791 240 E N 0.139 120.297 120.200 -0.069 0.000 2.023 240 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 240 E C 1.799 178.354 176.600 -0.075 0.000 1.003 240 E CA 1.336 57.704 56.400 -0.053 0.000 0.809 240 E CB -1.288 28.396 29.700 -0.026 0.000 0.755 240 E HN 0.097 nan 8.360 nan 0.000 0.449 241 D N 0.627 120.982 120.400 -0.076 0.000 2.203 241 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 241 D C 2.079 178.277 176.300 -0.170 0.000 0.997 241 D CA 1.090 55.025 54.000 -0.108 0.000 0.863 241 D CB -0.154 40.589 40.800 -0.094 0.000 0.928 241 D HN 0.106 nan 8.370 nan 0.000 0.458 242 V N 1.043 120.859 119.914 -0.163 0.000 2.295 242 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 242 V C 2.427 178.417 176.094 -0.174 0.000 1.049 242 V CA 1.007 63.199 62.300 -0.179 0.000 1.024 242 V CB -0.247 31.453 31.823 -0.205 0.000 0.648 242 V HN 0.209 nan 8.190 nan 0.000 0.447 243 I N -0.095 120.368 120.570 -0.179 0.000 2.252 243 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 243 I C 2.446 178.541 176.117 -0.037 0.000 1.102 243 I CA 1.625 62.837 61.300 -0.146 0.000 1.385 243 I CB -1.215 36.718 38.000 -0.112 0.000 1.064 243 I HN 0.365 nan 8.210 nan 0.000 0.414 244 K N 1.227 121.604 120.400 -0.038 0.000 2.020 244 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 244 K C 2.233 178.828 176.600 -0.008 0.000 1.050 244 K CA 1.877 58.156 56.287 -0.013 0.000 0.929 244 K CB -0.309 32.169 32.500 -0.036 0.000 0.714 244 K HN 0.314 nan 8.250 nan 0.000 0.443 245 A N 1.270 124.055 122.820 -0.058 0.000 1.978 245 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 245 A C 2.034 179.635 177.584 0.027 0.000 1.170 245 A CA 1.330 53.338 52.037 -0.048 0.000 0.636 245 A CB -0.586 18.337 19.000 -0.129 0.000 0.810 245 A HN 0.204 nan 8.150 nan 0.000 0.448 246 L N -1.214 120.038 121.223 0.049 0.000 2.313 246 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 246 L C 2.965 180.048 176.870 0.355 0.000 1.119 246 L CA 0.571 55.496 54.840 0.142 0.000 0.809 246 L CB -0.534 41.530 42.059 0.008 0.000 0.933 246 L HN 0.438 nan 8.230 nan 0.000 0.449 247 A N 0.618 123.606 122.820 0.280 0.000 1.908 247 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 247 A C 0.742 178.401 177.584 0.125 0.000 1.181 247 A CA 2.016 54.209 52.037 0.260 0.000 0.627 247 A CB -0.426 18.646 19.000 0.121 0.000 0.818 247 A HN 0.568 nan 8.150 nan 0.000 0.445 248 D N 0.000 120.458 120.400 0.096 0.000 6.856 248 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 248 D CA 0.000 54.028 54.000 0.047 0.000 0.868 248 D CB 0.000 40.805 40.800 0.008 0.000 0.688 248 D HN 0.000 nan 8.370 nan 0.000 0.683