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 1r6t_1_A DATA FIRST_RESID 7 DATA SEQUENCE ASLLELFNSI ATQGELVRSL KAGNASKDEI DSAVKXLVSL KXSYKAAAGE DATA SEQUENCE DYKAXXXXXX XXXXXXXXXX XXXXXEDFVD PWTVQTSSAK GIDYDKLIVR DATA SEQUENCE FGSSKIDKEL INRIERATGQ RPHHFLRRGI FFSHRDXNQV LDAYENKKPF DATA SEQUENCE YLYTGRGPSS EAXHVGHLIP FIFTKWLQDV FNVPLVIQXT DDEKYLWKDL DATA SEQUENCE TLDQAYGDAV ENAKDIIACG FDINKTFIFS DLDYXGXSSG FYKNVVKIQK DATA SEQUENCE HVTFNQVKGI FGFTDSDCIG KISFPAIQAA PSFSNSFPQI FRDRTDIQCL DATA SEQUENCE IPCAIDQDPY FRXTRDVAPR IGYPKPALLH STFFPALQGA QTKXSASDPN DATA SEQUENCE SSIFLTDTAK QIKTKVNKHA FSGGRDTIEE HRQFGGNCDV DVSFXYLTFF DATA SEQUENCE LEDDDKLEQI RKDYTSGAXL TGELKKALIE VLQPLIAEHQ ARRKEVTDEI DATA SEQUENCE VKEFXTPRKL A 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.621 177.584 0.062 0.000 1.274 7 A CA 0.000 52.063 52.037 0.043 0.000 0.836 7 A CB 0.000 19.021 19.000 0.035 0.000 0.831 8 S N -1.237 114.499 115.700 0.059 0.000 2.423 8 S HA -0.104 4.367 4.470 0.001 0.000 0.231 8 S C 1.763 176.430 174.600 0.111 0.000 1.014 8 S CA 1.927 60.171 58.200 0.073 0.000 0.965 8 S CB -0.588 62.646 63.200 0.056 0.000 0.785 8 S HN 1.272 nan 8.310 nan 0.000 0.495 9 L N 1.181 122.472 121.223 0.113 0.000 2.201 9 L HA 0.124 4.464 4.340 0.001 0.000 0.212 9 L C 1.953 178.996 176.870 0.287 0.000 1.105 9 L CA 1.352 56.299 54.840 0.179 0.000 0.775 9 L CB -0.642 41.481 42.059 0.106 0.000 0.913 9 L HN 0.423 nan 8.230 nan 0.000 0.440 10 L N -0.401 120.940 121.223 0.196 0.000 2.072 10 L HA -0.146 4.194 4.340 0.001 0.000 0.205 10 L C 2.456 179.474 176.870 0.248 0.000 1.079 10 L CA 1.869 56.835 54.840 0.209 0.000 0.752 10 L CB -0.756 41.373 42.059 0.117 0.000 0.906 10 L HN 0.496 nan 8.230 nan 0.000 0.436 11 E N -0.754 119.550 120.200 0.174 0.000 2.118 11 E HA -0.245 4.105 4.350 0.001 0.000 0.195 11 E C 2.105 178.787 176.600 0.137 0.000 0.992 11 E CA 1.148 57.630 56.400 0.136 0.000 0.804 11 E CB -0.114 29.644 29.700 0.096 0.000 0.741 11 E HN 0.447 nan 8.360 nan 0.000 0.458 12 L N 0.519 121.853 121.223 0.186 0.000 2.044 12 L HA -0.120 4.221 4.340 0.001 0.000 0.205 12 L C 2.228 179.148 176.870 0.084 0.000 1.075 12 L CA 1.531 56.472 54.840 0.169 0.000 0.747 12 L CB -1.111 41.135 42.059 0.312 0.000 0.903 12 L HN 0.256 nan 8.230 nan 0.000 0.435 13 F N 1.515 121.467 119.950 0.003 0.000 2.091 13 F HA -0.285 4.243 4.527 0.001 0.000 0.299 13 F C 2.316 178.104 175.800 -0.019 0.000 1.103 13 F CA 1.948 59.879 58.000 -0.116 0.000 1.228 13 F CB -0.335 38.665 39.000 0.001 0.000 0.984 13 F HN 0.247 nan 8.300 nan 0.000 0.477 14 N N 0.168 118.897 118.700 0.048 0.000 2.120 14 N HA -0.157 4.583 4.740 0.001 0.000 0.188 14 N C 2.026 177.460 175.510 -0.126 0.000 1.024 14 N CA 1.594 54.620 53.050 -0.040 0.000 0.852 14 N CB -0.723 37.830 38.487 0.109 0.000 1.003 14 N HN 0.284 nan 8.380 nan 0.000 0.424 15 S N 1.149 116.793 115.700 -0.093 0.000 2.399 15 S HA 0.043 4.513 4.470 0.001 0.000 0.231 15 S C 2.071 176.556 174.600 -0.191 0.000 1.022 15 S CA 0.526 58.665 58.200 -0.101 0.000 0.983 15 S CB -0.085 63.081 63.200 -0.057 0.000 0.803 15 S HN 0.287 nan 8.310 nan 0.000 0.480 16 I N 1.337 121.708 120.570 -0.331 0.000 2.353 16 I HA -0.136 4.035 4.170 0.001 0.000 0.248 16 I C 2.649 178.498 176.117 -0.446 0.000 1.119 16 I CA 0.897 61.895 61.300 -0.504 0.000 1.417 16 I CB -0.472 36.949 38.000 -0.966 0.000 1.078 16 I HN 0.259 nan 8.210 nan 0.000 0.421 17 A N 0.729 123.307 122.820 -0.403 0.000 1.873 17 A HA -0.181 4.140 4.320 0.001 0.000 0.215 17 A C 2.394 179.905 177.584 -0.121 0.000 1.186 17 A CA 2.374 54.278 52.037 -0.222 0.000 0.616 17 A CB -1.089 17.756 19.000 -0.257 0.000 0.823 17 A HN 0.340 nan 8.150 nan 0.000 0.442 18 T N -0.346 114.142 114.554 -0.109 0.000 2.652 18 T HA -0.211 4.139 4.350 0.001 0.000 0.267 18 T C 2.118 176.782 174.700 -0.060 0.000 1.039 18 T CA 1.891 63.959 62.100 -0.054 0.000 1.153 18 T CB -0.312 68.533 68.868 -0.037 0.000 0.863 18 T HN 0.533 nan 8.240 nan 0.000 0.428 19 Q N 1.040 120.785 119.800 -0.091 0.000 2.170 19 Q HA 0.011 4.351 4.340 0.001 0.000 0.203 19 Q C 2.294 178.249 176.000 -0.075 0.000 0.976 19 Q CA 1.865 57.618 55.803 -0.082 0.000 0.858 19 Q CB -0.941 27.734 28.738 -0.106 0.000 0.907 19 Q HN 0.541 nan 8.270 nan 0.000 0.433 20 G N -0.295 108.449 108.800 -0.093 0.000 2.403 20 G HA2 -0.252 3.708 3.960 0.001 0.000 0.216 20 G HA3 -0.252 3.708 3.960 0.001 0.000 0.216 20 G C 1.382 176.267 174.900 -0.024 0.000 1.154 20 G CA 0.824 45.887 45.100 -0.062 0.000 0.784 20 G HN 0.450 nan 8.290 nan 0.000 0.538 21 E N 0.256 120.448 120.200 -0.014 0.000 2.106 21 E HA -0.076 4.275 4.350 0.001 0.000 0.192 21 E C 2.257 178.864 176.600 0.013 0.000 0.984 21 E CA 0.553 56.962 56.400 0.015 0.000 0.806 21 E CB -0.438 29.273 29.700 0.018 0.000 0.750 21 E HN 0.265 nan 8.360 nan 0.000 0.458 22 L N -0.231 120.990 121.223 -0.005 0.000 2.017 22 L HA -0.089 4.252 4.340 0.001 0.000 0.208 22 L C 2.279 179.148 176.870 -0.000 0.000 1.073 22 L CA 1.509 56.348 54.840 -0.002 0.000 0.745 22 L CB -0.782 41.269 42.059 -0.013 0.000 0.894 22 L HN 0.109 nan 8.230 nan 0.000 0.432 23 V N 0.245 120.152 119.914 -0.012 0.000 2.332 23 V HA -0.302 3.819 4.120 0.001 0.000 0.248 23 V C 2.834 178.924 176.094 -0.006 0.000 1.055 23 V CA 2.125 64.418 62.300 -0.011 0.000 1.038 23 V CB -0.811 30.999 31.823 -0.022 0.000 0.651 23 V HN 0.520 nan 8.190 nan 0.000 0.450 24 R N 0.575 121.070 120.500 -0.007 0.000 2.083 24 R HA -0.186 4.155 4.340 0.001 0.000 0.237 24 R C 2.643 178.950 176.300 0.011 0.000 1.137 24 R CA 2.078 58.167 56.100 -0.017 0.000 0.951 24 R CB -0.397 29.886 30.300 -0.029 0.000 0.851 24 R HN 0.702 nan 8.270 nan 0.000 0.434 25 S N 0.511 116.236 115.700 0.043 0.000 2.382 25 S HA -0.119 4.351 4.470 0.001 0.000 0.228 25 S C 2.205 176.838 174.600 0.056 0.000 1.027 25 S CA 0.956 59.200 58.200 0.072 0.000 0.991 25 S CB -0.537 62.705 63.200 0.070 0.000 0.823 25 S HN 0.320 nan 8.310 nan 0.000 0.469 26 L N 1.085 122.329 121.223 0.034 0.000 2.017 26 L HA -0.084 4.256 4.340 0.001 0.000 0.208 26 L C 2.820 179.710 176.870 0.033 0.000 1.073 26 L CA 1.617 56.476 54.840 0.030 0.000 0.745 26 L CB -0.503 41.566 42.059 0.016 0.000 0.894 26 L HN 0.320 nan 8.230 nan 0.000 0.432 27 K N -0.064 120.349 120.400 0.022 0.000 2.147 27 K HA -0.119 4.202 4.320 0.001 0.000 0.205 27 K C 2.105 178.725 176.600 0.032 0.000 1.049 27 K CA 1.260 57.558 56.287 0.018 0.000 0.936 27 K CB -0.175 32.325 32.500 -0.001 0.000 0.722 27 K HN 0.299 nan 8.250 nan 0.000 0.446 28 A N 1.341 124.189 122.820 0.046 0.000 2.021 28 A HA 0.090 4.410 4.320 0.001 0.000 0.216 28 A C 1.482 179.127 177.584 0.102 0.000 1.163 28 A CA 1.020 53.103 52.037 0.076 0.000 0.676 28 A CB -0.393 18.674 19.000 0.111 0.000 0.818 28 A HN 0.341 nan 8.150 nan 0.000 0.453 29 G N -0.974 107.882 108.800 0.093 0.000 2.531 29 G HA2 0.285 4.245 3.960 0.001 0.000 0.253 29 G HA3 0.285 4.245 3.960 0.001 0.000 0.253 29 G C 0.179 175.138 174.900 0.098 0.000 1.439 29 G CA -0.351 44.811 45.100 0.104 0.000 1.056 29 G HN 0.240 nan 8.290 nan 0.000 0.555 30 N N 0.580 119.341 118.700 0.101 0.000 2.279 30 N HA 0.241 4.982 4.740 0.001 0.000 0.226 30 N C 0.639 176.185 175.510 0.059 0.000 1.126 30 N CA -0.090 53.020 53.050 0.099 0.000 0.846 30 N CB 0.613 39.182 38.487 0.137 0.000 1.050 30 N HN 0.555 nan 8.380 nan 0.000 0.502 31 A N 0.912 123.760 122.820 0.046 0.000 2.498 31 A HA 0.290 4.610 4.320 0.001 0.000 0.239 31 A C 0.987 178.580 177.584 0.015 0.000 1.068 31 A CA -0.287 51.765 52.037 0.025 0.000 0.766 31 A CB 0.230 19.243 19.000 0.022 0.000 1.003 31 A HN 0.325 nan 8.150 nan 0.000 0.497 32 S N 1.824 117.525 115.700 0.003 0.000 2.624 32 S HA 0.221 4.691 4.470 0.001 0.000 0.263 32 S C 0.862 175.460 174.600 -0.004 0.000 1.287 32 S CA -0.091 58.105 58.200 -0.007 0.000 0.990 32 S CB 0.698 63.888 63.200 -0.017 0.000 0.950 32 S HN 0.655 nan 8.310 nan 0.000 0.561 33 K N 0.367 120.763 120.400 -0.006 0.000 2.097 33 K HA -0.120 4.200 4.320 0.001 0.000 0.206 33 K C 1.351 177.949 176.600 -0.004 0.000 1.049 33 K CA 1.634 57.919 56.287 -0.003 0.000 0.933 33 K CB -0.309 32.190 32.500 -0.002 0.000 0.717 33 K HN 0.595 nan 8.250 nan 0.000 0.442 34 D N 1.009 121.405 120.400 -0.007 0.000 2.117 34 D HA -0.138 4.502 4.640 0.001 0.000 0.198 34 D C 1.767 178.063 176.300 -0.006 0.000 0.982 34 D CA 1.180 55.176 54.000 -0.007 0.000 0.828 34 D CB -0.025 40.769 40.800 -0.010 0.000 0.967 34 D HN 0.307 nan 8.370 nan 0.000 0.464 35 E N 0.442 120.638 120.200 -0.006 0.000 2.051 35 E HA -0.124 4.227 4.350 0.001 0.000 0.192 35 E C 2.393 178.990 176.600 -0.004 0.000 0.991 35 E CA 0.548 56.945 56.400 -0.004 0.000 0.799 35 E CB -0.034 29.665 29.700 -0.002 0.000 0.748 35 E HN 0.283 nan 8.360 nan 0.000 0.449 36 I N 1.562 122.131 120.570 -0.002 0.000 2.179 36 I HA -0.277 3.894 4.170 0.001 0.000 0.242 36 I C 1.948 178.062 176.117 -0.005 0.000 1.088 36 I CA 1.050 62.349 61.300 -0.002 0.000 1.357 36 I CB -0.289 37.711 38.000 0.001 0.000 1.051 36 I HN 0.064 nan 8.210 nan 0.000 0.409 37 D N 0.609 121.007 120.400 -0.004 0.000 2.123 37 D HA -0.154 4.486 4.640 0.001 0.000 0.196 37 D C 2.367 178.662 176.300 -0.008 0.000 0.992 37 D CA 1.525 55.521 54.000 -0.005 0.000 0.833 37 D CB -0.138 40.660 40.800 -0.004 0.000 0.954 37 D HN 0.230 nan 8.370 nan 0.000 0.455 38 S N 0.425 116.120 115.700 -0.008 0.000 2.383 38 S HA -0.095 4.375 4.470 0.001 0.000 0.227 38 S C 2.092 176.684 174.600 -0.012 0.000 1.026 38 S CA 0.965 59.160 58.200 -0.009 0.000 0.981 38 S CB -0.058 63.137 63.200 -0.008 0.000 0.818 38 S HN 0.360 nan 8.310 nan 0.000 0.472 39 A N 0.943 123.756 122.820 -0.013 0.000 1.969 39 A HA 0.005 4.325 4.320 0.001 0.000 0.218 39 A C 2.273 179.843 177.584 -0.024 0.000 1.169 39 A CA 1.156 53.183 52.037 -0.018 0.000 0.635 39 A CB -0.660 18.331 19.000 -0.015 0.000 0.810 39 A HN 0.348 nan 8.150 nan 0.000 0.445 40 V N 0.399 120.301 119.914 -0.020 0.000 2.358 40 V HA -0.149 3.971 4.120 0.001 0.000 0.246 40 V C 1.413 177.493 176.094 -0.023 0.000 1.047 40 V CA 1.372 63.658 62.300 -0.022 0.000 1.035 40 V CB -0.667 31.147 31.823 -0.015 0.000 0.658 40 V HN 0.470 nan 8.190 nan 0.000 0.452 44 V N 0.077 119.962 119.914 -0.049 0.000 2.295 44 V HA -0.238 3.882 4.120 0.001 0.000 0.246 44 V C 2.586 178.666 176.094 -0.022 0.000 1.049 44 V CA 2.426 64.709 62.300 -0.029 0.000 1.024 44 V CB -0.675 31.140 31.823 -0.013 0.000 0.648 44 V HN 0.600 nan 8.190 nan 0.000 0.447 45 S N -0.559 115.129 115.700 -0.021 0.000 2.368 45 S HA -0.172 4.299 4.470 0.001 0.000 0.225 45 S C 1.888 176.482 174.600 -0.011 0.000 1.030 45 S CA 1.572 59.766 58.200 -0.010 0.000 0.999 45 S CB -0.309 62.885 63.200 -0.010 0.000 0.844 45 S HN 0.370 nan 8.310 nan 0.000 0.459 46 L N 1.190 122.392 121.223 -0.036 0.000 2.275 46 L HA 0.212 4.553 4.340 0.001 0.000 0.215 46 L C 1.173 178.017 176.870 -0.043 0.000 1.119 46 L CA 1.365 56.178 54.840 -0.046 0.000 0.790 46 L CB -0.390 41.613 42.059 -0.092 0.000 0.919 46 L HN 0.195 nan 8.230 nan 0.000 0.443 50 Y N 3.133 123.451 120.300 0.030 0.000 2.220 50 Y HA 0.193 4.744 4.550 0.001 0.000 0.291 50 Y C 2.141 178.086 175.900 0.075 0.000 1.129 50 Y CA 2.162 60.301 58.100 0.066 0.000 1.161 50 Y CB -0.044 38.470 38.460 0.091 0.000 0.997 50 Y HN 0.187 nan 8.280 nan 0.000 0.522 51 K N -0.060 120.419 120.400 0.131 0.000 2.281 51 K HA -0.163 4.158 4.320 0.001 0.000 0.203 51 K C 1.858 178.443 176.600 -0.025 0.000 1.046 51 K CA 1.064 57.384 56.287 0.054 0.000 0.938 51 K CB -0.184 32.374 32.500 0.097 0.000 0.737 51 K HN 0.413 nan 8.250 nan 0.000 0.458 52 A N 0.774 123.580 122.820 -0.022 0.000 1.859 52 A HA 0.173 4.493 4.320 0.001 0.000 0.212 52 A C 2.209 179.754 177.584 -0.066 0.000 1.238 52 A CA 0.875 52.895 52.037 -0.029 0.000 0.613 52 A CB -0.792 18.206 19.000 -0.004 0.000 0.904 52 A HN 0.332 nan 8.150 nan 0.000 0.457 53 A N -0.843 121.934 122.820 -0.073 0.000 2.234 53 A HA 0.421 4.742 4.320 0.001 0.000 0.216 53 A C 1.108 178.594 177.584 -0.164 0.000 1.167 53 A CA 1.638 53.623 52.037 -0.086 0.000 0.698 53 A CB -0.816 18.156 19.000 -0.046 0.000 0.779 53 A HN 1.310 nan 8.150 nan 0.000 0.475 54 A N -2.951 119.718 122.820 -0.251 0.000 2.524 54 A HA 0.659 4.979 4.320 0.001 0.000 0.286 54 A C 1.074 178.550 177.584 -0.181 0.000 1.203 54 A CA 0.094 51.951 52.037 -0.300 0.000 0.736 54 A CB -0.020 18.574 19.000 -0.677 0.000 1.322 54 A HN 0.542 nan 8.150 nan 0.000 0.424 55 G N -0.458 108.264 108.800 -0.130 0.000 2.508 55 G HA2 0.234 4.195 3.960 0.001 0.000 0.212 55 G HA3 0.234 4.195 3.960 0.001 0.000 0.212 55 G C 0.651 175.538 174.900 -0.023 0.000 1.206 55 G CA 0.843 45.909 45.100 -0.058 0.000 0.822 55 G HN 1.012 nan 8.290 nan 0.000 0.550 56 E N 0.729 120.932 120.200 0.004 0.000 2.451 56 E HA 0.079 4.429 4.350 0.001 0.000 0.256 56 E C 0.120 176.807 176.600 0.146 0.000 1.294 56 E CA 0.172 56.619 56.400 0.077 0.000 1.005 56 E CB 0.538 30.307 29.700 0.114 0.000 0.990 56 E HN 0.161 nan 8.360 nan 0.000 0.505 57 D N -1.070 119.455 120.400 0.207 0.000 2.154 57 D HA -0.003 4.637 4.640 0.001 0.000 0.211 57 D C -0.223 176.400 176.300 0.538 0.000 0.977 57 D CA 1.363 55.533 54.000 0.284 0.000 0.869 57 D CB 0.025 40.945 40.800 0.200 0.000 1.022 57 D HN 0.470 nan 8.370 nan 0.000 0.461 58 Y N -0.189 120.274 120.300 0.272 0.000 2.258 58 Y HA 0.142 4.693 4.550 0.001 0.000 0.325 58 Y C -1.888 174.095 175.900 0.139 0.000 1.416 58 Y CA -0.835 57.381 58.100 0.194 0.000 1.474 58 Y CB 0.314 38.777 38.460 0.004 0.000 1.265 58 Y HN -0.283 nan 8.280 nan 0.000 0.441 59 K N 5.374 125.470 120.400 -0.506 0.000 2.345 59 K HA 0.928 5.249 4.320 0.001 0.000 0.255 59 K C -0.554 175.708 176.600 -0.564 0.000 0.934 59 K CA -0.233 55.807 56.287 -0.412 0.000 0.801 59 K CB 1.611 34.034 32.500 -0.129 0.000 1.137 59 K HN 0.823 nan 8.250 nan 0.000 0.424 83 D N 0.926 121.318 120.400 -0.013 0.000 2.458 83 D HA 0.155 4.796 4.640 0.001 0.000 0.243 83 D C -0.734 175.588 176.300 0.038 0.000 1.146 83 D CA 0.404 54.391 54.000 -0.021 0.000 0.877 83 D CB 0.165 40.900 40.800 -0.109 0.000 1.176 83 D HN 0.033 nan 8.370 nan 0.000 0.461 84 F N 2.789 122.707 119.950 -0.054 0.000 2.426 84 F HA 0.410 4.937 4.527 0.001 0.000 0.348 84 F C -0.868 174.926 175.800 -0.010 0.000 1.124 84 F CA -0.628 57.363 58.000 -0.016 0.000 1.008 84 F CB 1.044 40.041 39.000 -0.006 0.000 1.139 84 F HN 0.009 nan 8.300 nan 0.000 0.452 85 V N 6.288 125.894 119.914 -0.514 0.000 2.488 85 V HA 0.384 4.505 4.120 0.001 0.000 0.293 85 V C -1.208 174.734 176.094 -0.253 0.000 1.027 85 V CA -0.548 61.617 62.300 -0.225 0.000 0.862 85 V CB 1.500 33.327 31.823 0.007 0.000 1.008 85 V HN 0.808 nan 8.190 nan 0.000 0.428 86 D N 4.825 125.130 120.400 -0.158 0.000 2.664 86 D HA 0.502 5.143 4.640 0.001 0.000 0.292 86 D C -2.619 173.662 176.300 -0.030 0.000 1.214 86 D CA -1.857 52.097 54.000 -0.076 0.000 0.932 86 D CB 1.817 42.617 40.800 -0.000 0.000 1.420 86 D HN 0.138 nan 8.370 nan 0.000 0.471 87 P HA 0.017 nan 4.420 nan 0.000 0.223 87 P C 0.436 177.337 177.300 -0.665 0.000 1.144 87 P CA 1.199 63.951 63.100 -0.580 0.000 0.783 87 P CB 0.077 31.096 31.700 -1.136 0.000 0.771 88 W N -1.937 119.453 121.300 0.149 0.000 2.865 88 W HA 0.269 4.929 4.660 0.001 0.000 0.300 88 W C -0.163 176.432 176.519 0.125 0.000 1.096 88 W CA 0.244 57.664 57.345 0.126 0.000 1.524 88 W CB 0.104 29.644 29.460 0.133 0.000 0.991 88 W HN -0.209 nan 8.180 nan 0.000 0.571 89 T N 1.023 115.792 114.554 0.358 0.000 2.952 89 T HA 0.468 4.819 4.350 0.001 0.000 0.305 89 T C -0.811 173.999 174.700 0.182 0.000 1.064 89 T CA -0.323 61.946 62.100 0.282 0.000 1.008 89 T CB 3.077 72.167 68.868 0.371 0.000 1.078 89 T HN -0.448 nan 8.240 nan 0.000 0.459 90 V N 3.042 122.951 119.914 -0.007 0.000 2.447 90 V HA 0.682 4.803 4.120 0.001 0.000 0.292 90 V C -0.677 175.376 176.094 -0.069 0.000 1.021 90 V CA -0.568 61.625 62.300 -0.178 0.000 0.850 90 V CB 1.514 32.938 31.823 -0.666 0.000 1.005 90 V HN 0.846 nan 8.190 nan 0.000 0.426 91 Q N 2.981 122.799 119.800 0.031 0.000 2.345 91 Q HA 0.805 5.146 4.340 0.001 0.000 0.275 91 Q C -0.914 175.088 176.000 0.004 0.000 1.063 91 Q CA -0.182 55.629 55.803 0.014 0.000 0.819 91 Q CB 2.585 31.347 28.738 0.039 0.000 1.356 91 Q HN 0.797 nan 8.270 nan 0.000 0.418 92 T N 0.304 114.836 114.554 -0.038 0.000 2.885 92 T HA 0.445 4.795 4.350 0.001 0.000 0.322 92 T C -0.223 174.440 174.700 -0.062 0.000 1.387 92 T CA 0.173 62.242 62.100 -0.051 0.000 1.041 92 T CB 0.881 69.699 68.868 -0.083 0.000 1.287 92 T HN 0.666 nan 8.240 nan 0.000 0.491 93 S N 1.295 116.960 115.700 -0.059 0.000 2.548 93 S HA 0.239 4.710 4.470 0.001 0.000 0.215 93 S C 1.011 175.567 174.600 -0.073 0.000 0.976 93 S CA 0.001 58.163 58.200 -0.064 0.000 0.908 93 S CB 0.091 63.260 63.200 -0.051 0.000 0.781 93 S HN 0.668 nan 8.310 nan 0.000 0.519 94 S N 1.250 116.906 115.700 -0.074 0.000 2.505 94 S HA 0.590 5.060 4.470 0.001 0.000 0.276 94 S C 1.169 175.720 174.600 -0.082 0.000 1.274 94 S CA -0.120 58.036 58.200 -0.072 0.000 1.053 94 S CB 0.838 63.995 63.200 -0.073 0.000 0.919 94 S HN 0.513 nan 8.310 nan 0.000 0.490 95 A N 5.043 127.816 122.820 -0.077 0.000 2.172 95 A HA 0.057 4.377 4.320 0.001 0.000 0.216 95 A C 1.751 179.314 177.584 -0.035 0.000 1.154 95 A CA 0.893 52.876 52.037 -0.090 0.000 0.701 95 A CB -0.211 18.745 19.000 -0.073 0.000 0.789 95 A HN 0.896 nan 8.150 nan 0.000 0.465 96 K N -0.690 119.694 120.400 -0.025 0.000 2.404 96 K HA 0.348 4.669 4.320 0.001 0.000 0.194 96 K C 0.948 177.539 176.600 -0.015 0.000 1.023 96 K CA 0.350 56.636 56.287 -0.001 0.000 1.094 96 K CB 0.017 32.513 32.500 -0.007 0.000 0.841 96 K HN 0.584 nan 8.250 nan 0.000 0.523 97 G N 1.618 110.390 108.800 -0.048 0.000 2.698 97 G HA2 -0.247 3.714 3.960 0.001 0.000 0.225 97 G HA3 -0.247 3.714 3.960 0.001 0.000 0.225 97 G C -0.586 174.214 174.900 -0.167 0.000 1.345 97 G CA -0.948 44.111 45.100 -0.069 0.000 0.871 97 G HN 0.040 nan 8.290 nan 0.000 0.540 98 I N 1.391 121.787 120.570 -0.290 0.000 2.752 98 I HA 0.168 4.338 4.170 0.001 0.000 0.287 98 I C 0.876 176.597 176.117 -0.661 0.000 1.188 98 I CA -0.032 60.960 61.300 -0.512 0.000 1.427 98 I CB 0.942 38.513 38.000 -0.714 0.000 1.365 98 I HN 0.498 nan 8.210 nan 0.000 0.585 99 D N 5.707 125.839 120.400 -0.447 0.000 2.453 99 D HA 0.012 4.652 4.640 0.001 0.000 0.223 99 D C 0.627 176.712 176.300 -0.359 0.000 1.183 99 D CA -0.061 53.751 54.000 -0.314 0.000 0.933 99 D CB 0.250 40.943 40.800 -0.179 0.000 1.038 99 D HN 0.374 nan 8.370 nan 0.000 0.513 100 Y N 1.677 121.847 120.300 -0.216 0.000 2.274 100 Y HA -0.145 4.406 4.550 0.001 0.000 0.290 100 Y C 2.025 177.874 175.900 -0.084 0.000 1.145 100 Y CA 0.764 58.689 58.100 -0.293 0.000 1.203 100 Y CB 0.036 38.009 38.460 -0.812 0.000 0.984 100 Y HN 0.372 nan 8.280 nan 0.000 0.533 101 D N -0.075 120.361 120.400 0.060 0.000 2.144 101 D HA -0.128 4.512 4.640 0.001 0.000 0.199 101 D C 2.033 178.351 176.300 0.029 0.000 0.984 101 D CA 1.119 55.167 54.000 0.079 0.000 0.834 101 D CB -0.047 40.779 40.800 0.043 0.000 0.955 101 D HN 0.121 nan 8.370 nan 0.000 0.465 102 K N 0.698 121.078 120.400 -0.033 0.000 2.097 102 K HA 0.042 4.363 4.320 0.001 0.000 0.205 102 K C 2.076 178.615 176.600 -0.102 0.000 1.050 102 K CA 0.167 56.417 56.287 -0.062 0.000 0.938 102 K CB -0.539 31.908 32.500 -0.088 0.000 0.718 102 K HN 0.112 nan 8.250 nan 0.000 0.442 103 L N 0.272 121.405 121.223 -0.150 0.000 2.083 103 L HA -0.161 4.179 4.340 0.001 0.000 0.209 103 L C 1.953 178.675 176.870 -0.248 0.000 1.083 103 L CA 1.273 55.924 54.840 -0.316 0.000 0.752 103 L CB -0.176 41.691 42.059 -0.321 0.000 0.899 103 L HN 0.234 nan 8.230 nan 0.000 0.433 104 I N -1.215 119.344 120.570 -0.017 0.000 2.226 104 I HA -0.290 3.880 4.170 0.001 0.000 0.245 104 I C 2.357 178.489 176.117 0.026 0.000 1.100 104 I CA 1.004 62.330 61.300 0.043 0.000 1.374 104 I CB -0.131 37.935 38.000 0.109 0.000 1.057 104 I HN 0.060 nan 8.210 nan 0.000 0.413 105 V N 0.751 120.669 119.914 0.006 0.000 2.307 105 V HA -0.272 3.849 4.120 0.001 0.000 0.245 105 V C 2.589 178.696 176.094 0.022 0.000 1.045 105 V CA 2.035 64.342 62.300 0.011 0.000 1.024 105 V CB -0.764 31.059 31.823 -0.000 0.000 0.651 105 V HN 0.415 nan 8.190 nan 0.000 0.449 106 R N -0.227 120.266 120.500 -0.011 0.000 2.073 106 R HA -0.151 4.189 4.340 0.001 0.000 0.234 106 R C 2.050 178.483 176.300 0.222 0.000 1.134 106 R CA 1.969 58.091 56.100 0.037 0.000 0.952 106 R CB -0.308 29.954 30.300 -0.063 0.000 0.850 106 R HN 0.376 nan 8.270 nan 0.000 0.433 107 F N 0.137 120.061 119.950 -0.044 0.000 2.710 107 F HA 0.315 4.843 4.527 0.001 0.000 0.298 107 F C 1.554 177.329 175.800 -0.041 0.000 1.137 107 F CA 0.741 58.706 58.000 -0.060 0.000 1.444 107 F CB -0.361 38.589 39.000 -0.085 0.000 1.111 107 F HN 0.407 nan 8.300 nan 0.000 0.580 108 G N 0.916 109.809 108.800 0.155 0.000 2.198 108 G HA2 -0.270 3.690 3.960 0.001 0.000 0.257 108 G HA3 -0.270 3.690 3.960 0.001 0.000 0.257 108 G C 0.467 175.400 174.900 0.055 0.000 1.042 108 G CA 0.465 45.610 45.100 0.075 0.000 0.791 108 G HN 0.554 nan 8.290 nan 0.000 0.502 109 S N -1.450 114.291 115.700 0.069 0.000 2.719 109 S HA 0.834 5.304 4.470 0.001 0.000 0.285 109 S C 0.297 174.856 174.600 -0.069 0.000 1.137 109 S CA 0.218 58.428 58.200 0.016 0.000 1.012 109 S CB 2.071 65.336 63.200 0.107 0.000 1.134 109 S HN 1.309 nan 8.310 nan 0.000 0.544 110 S N -0.141 115.431 115.700 -0.212 0.000 2.482 110 S HA 0.511 4.982 4.470 0.001 0.000 0.303 110 S C -0.643 173.872 174.600 -0.142 0.000 1.091 110 S CA -0.773 57.289 58.200 -0.230 0.000 1.057 110 S CB 0.747 63.690 63.200 -0.428 0.000 1.031 110 S HN 0.751 nan 8.310 nan 0.000 0.485 111 K N 4.085 124.484 120.400 -0.001 0.000 2.382 111 K HA 0.291 4.611 4.320 0.001 0.000 0.275 111 K C -0.640 176.048 176.600 0.147 0.000 1.009 111 K CA 0.140 56.470 56.287 0.071 0.000 0.970 111 K CB 0.132 32.690 32.500 0.096 0.000 0.934 111 K HN 0.655 nan 8.250 nan 0.000 0.479 112 I N 5.019 125.677 120.570 0.146 0.000 2.322 112 I HA 0.081 4.251 4.170 0.001 0.000 0.292 112 I C -0.027 176.148 176.117 0.096 0.000 1.060 112 I CA -0.564 60.822 61.300 0.142 0.000 1.309 112 I CB 0.473 38.530 38.000 0.096 0.000 1.415 112 I HN 0.780 nan 8.210 nan 0.000 0.492 113 D N 5.270 125.718 120.400 0.079 0.000 2.437 113 D HA 0.162 4.802 4.640 0.001 0.000 0.259 113 D C 0.865 177.193 176.300 0.046 0.000 1.118 113 D CA -0.772 53.264 54.000 0.061 0.000 1.017 113 D CB 0.912 41.747 40.800 0.058 0.000 1.120 113 D HN 0.137 nan 8.370 nan 0.000 0.541 114 K N -0.276 120.149 120.400 0.042 0.000 2.063 114 K HA -0.235 4.085 4.320 0.001 0.000 0.208 114 K C 1.732 178.352 176.600 0.035 0.000 1.048 114 K CA 1.829 58.139 56.287 0.038 0.000 0.928 114 K CB -0.346 32.174 32.500 0.034 0.000 0.713 114 K HN 0.515 nan 8.250 nan 0.000 0.442 115 E N 0.058 120.277 120.200 0.031 0.000 2.110 115 E HA -0.162 4.188 4.350 0.001 0.000 0.193 115 E C 1.782 178.395 176.600 0.021 0.000 0.988 115 E CA 1.160 57.576 56.400 0.027 0.000 0.804 115 E CB -0.445 29.270 29.700 0.026 0.000 0.745 115 E HN 0.299 nan 8.360 nan 0.000 0.458 116 L N 0.255 121.484 121.223 0.010 0.000 2.056 116 L HA 0.011 4.352 4.340 0.001 0.000 0.207 116 L C 2.174 179.053 176.870 0.014 0.000 1.078 116 L CA 1.561 56.390 54.840 -0.019 0.000 0.749 116 L CB -0.491 41.519 42.059 -0.083 0.000 0.901 116 L HN 0.272 nan 8.230 nan 0.000 0.433 117 I N -0.130 120.462 120.570 0.036 0.000 2.179 117 I HA -0.357 3.814 4.170 0.001 0.000 0.242 117 I C 2.091 178.251 176.117 0.072 0.000 1.088 117 I CA 1.936 63.278 61.300 0.070 0.000 1.357 117 I CB -0.553 37.486 38.000 0.066 0.000 1.051 117 I HN 0.418 nan 8.210 nan 0.000 0.409 118 N N 0.261 118.993 118.700 0.053 0.000 2.205 118 N HA -0.225 4.515 4.740 0.001 0.000 0.186 118 N C 1.999 177.539 175.510 0.051 0.000 1.015 118 N CA 0.747 53.827 53.050 0.050 0.000 0.862 118 N CB -0.147 38.363 38.487 0.039 0.000 0.986 118 N HN 0.297 nan 8.380 nan 0.000 0.429 119 R N 1.238 121.767 120.500 0.048 0.000 2.092 119 R HA -0.004 4.337 4.340 0.001 0.000 0.231 119 R C 2.013 178.358 176.300 0.074 0.000 1.119 119 R CA 0.869 57.001 56.100 0.052 0.000 0.970 119 R CB -0.076 30.246 30.300 0.037 0.000 0.864 119 R HN 0.196 nan 8.270 nan 0.000 0.440 120 I N 0.697 121.319 120.570 0.087 0.000 2.315 120 I HA -0.237 3.934 4.170 0.001 0.000 0.248 120 I C 2.484 178.634 176.117 0.056 0.000 1.117 120 I CA 1.396 62.767 61.300 0.117 0.000 1.404 120 I CB -0.278 37.834 38.000 0.187 0.000 1.071 120 I HN 0.370 nan 8.210 nan 0.000 0.419 121 E N 1.243 121.487 120.200 0.074 0.000 2.077 121 E HA -0.230 4.120 4.350 0.001 0.000 0.193 121 E C 2.358 178.975 176.600 0.028 0.000 0.989 121 E CA 1.116 57.550 56.400 0.057 0.000 0.800 121 E CB 0.067 29.809 29.700 0.069 0.000 0.746 121 E HN 0.365 nan 8.360 nan 0.000 0.452 122 R N -0.323 120.202 120.500 0.040 0.000 2.115 122 R HA -0.041 4.299 4.340 0.001 0.000 0.230 122 R C 2.213 178.543 176.300 0.049 0.000 1.111 122 R CA 0.937 57.061 56.100 0.040 0.000 0.976 122 R CB -0.093 30.234 30.300 0.045 0.000 0.870 122 R HN 0.164 nan 8.270 nan 0.000 0.445 123 A N 0.306 123.167 122.820 0.069 0.000 2.072 123 A HA -0.074 4.246 4.320 0.001 0.000 0.216 123 A C 2.012 179.640 177.584 0.073 0.000 1.156 123 A CA 1.496 53.619 52.037 0.143 0.000 0.701 123 A CB -0.124 19.035 19.000 0.264 0.000 0.816 123 A HN 0.427 nan 8.150 nan 0.000 0.458 124 T N -5.633 108.853 114.554 -0.114 0.000 3.000 124 T HA 0.399 4.749 4.350 0.001 0.000 0.248 124 T C 1.480 176.103 174.700 -0.128 0.000 1.034 124 T CA 1.158 63.106 62.100 -0.254 0.000 1.060 124 T CB 0.051 68.581 68.868 -0.563 0.000 0.983 124 T HN 1.584 nan 8.240 nan 0.000 0.482 125 G N 1.516 110.280 108.800 -0.059 0.000 2.153 125 G HA2 -0.197 3.764 3.960 0.001 0.000 0.252 125 G HA3 -0.197 3.764 3.960 0.001 0.000 0.252 125 G C -0.185 174.703 174.900 -0.020 0.000 0.994 125 G CA 0.149 45.234 45.100 -0.025 0.000 0.698 125 G HN 0.664 nan 8.290 nan 0.000 0.521 126 Q N -0.741 119.046 119.800 -0.022 0.000 2.348 126 Q HA 0.468 4.808 4.340 0.001 0.000 0.271 126 Q C 0.370 176.444 176.000 0.124 0.000 1.067 126 Q CA -0.978 54.849 55.803 0.039 0.000 0.839 126 Q CB 1.488 30.227 28.738 0.002 0.000 1.354 126 Q HN 0.451 nan 8.270 nan 0.000 0.447 127 R N 2.028 122.615 120.500 0.145 0.000 2.442 127 R HA 0.200 4.540 4.340 0.001 0.000 0.291 127 R C -2.103 174.318 176.300 0.202 0.000 1.069 127 R CA -1.226 54.950 56.100 0.128 0.000 1.022 127 R CB 0.097 30.440 30.300 0.072 0.000 0.976 127 R HN 0.235 nan 8.270 nan 0.000 0.443 128 P HA -0.122 nan 4.420 nan 0.000 0.262 128 P C -0.645 176.574 177.300 -0.135 0.000 1.182 128 P CA 0.393 63.563 63.100 0.117 0.000 0.761 128 P CB 0.255 32.007 31.700 0.086 0.000 0.795 129 H N 3.390 122.004 119.070 -0.760 0.000 3.016 129 H HA -0.093 4.464 4.556 0.001 0.000 0.345 129 H C 1.401 176.442 175.328 -0.479 0.000 1.066 129 H CA 0.735 56.185 56.048 -0.997 0.000 1.390 129 H CB 0.709 29.407 29.762 -1.774 0.000 1.344 129 H HN 0.640 nan 8.280 nan 0.000 0.605 130 H N 2.424 121.129 119.070 -0.609 0.000 2.489 130 H HA -0.112 4.444 4.556 0.001 0.000 0.293 130 H C 1.405 176.750 175.328 0.029 0.000 1.066 130 H CA 1.107 57.000 56.048 -0.258 0.000 1.305 130 H CB -0.165 29.421 29.762 -0.294 0.000 1.386 130 H HN 0.325 nan 8.280 nan 0.000 0.551 131 F N 1.036 120.841 119.950 -0.242 0.000 2.171 131 F HA -0.045 4.482 4.527 0.001 0.000 0.300 131 F C 2.169 177.858 175.800 -0.183 0.000 1.090 131 F CA 0.659 58.520 58.000 -0.232 0.000 1.293 131 F CB -0.686 38.155 39.000 -0.266 0.000 1.013 131 F HN 0.235 nan 8.300 nan 0.000 0.486 132 L N -0.697 120.554 121.223 0.048 0.000 2.109 132 L HA -0.128 4.212 4.340 0.001 0.000 0.207 132 L C 2.556 179.442 176.870 0.028 0.000 1.086 132 L CA 0.992 55.853 54.840 0.036 0.000 0.760 132 L CB -0.439 41.662 42.059 0.069 0.000 0.910 132 L HN -0.016 nan 8.230 nan 0.000 0.437 133 R N -0.009 120.499 120.500 0.014 0.000 2.148 133 R HA -0.067 4.274 4.340 0.001 0.000 0.227 133 R C 1.654 177.958 176.300 0.006 0.000 1.103 133 R CA 0.872 56.980 56.100 0.014 0.000 0.983 133 R CB -0.075 30.232 30.300 0.010 0.000 0.874 133 R HN 0.357 nan 8.270 nan 0.000 0.451 134 R N -0.474 120.021 120.500 -0.008 0.000 2.432 134 R HA 0.148 4.488 4.340 0.001 0.000 0.260 134 R C 0.557 176.796 176.300 -0.103 0.000 0.935 134 R CA 0.414 56.483 56.100 -0.051 0.000 1.080 134 R CB 1.084 31.340 30.300 -0.074 0.000 1.155 134 R HN 0.276 nan 8.270 nan 0.000 0.531 135 G N 1.413 110.172 108.800 -0.069 0.000 2.176 135 G HA2 -0.271 3.689 3.960 0.001 0.000 0.252 135 G HA3 -0.271 3.689 3.960 0.001 0.000 0.252 135 G C 0.553 175.329 174.900 -0.206 0.000 1.024 135 G CA 0.104 45.158 45.100 -0.077 0.000 0.755 135 G HN 0.231 nan 8.290 nan 0.000 0.507 136 I N -0.864 119.537 120.570 -0.281 0.000 2.235 136 I HA 0.271 4.442 4.170 0.001 0.000 0.241 136 I C 1.212 177.068 176.117 -0.435 0.000 1.085 136 I CA 0.760 61.747 61.300 -0.522 0.000 1.378 136 I CB -0.142 37.411 38.000 -0.745 0.000 1.076 136 I HN 0.191 nan 8.210 nan 0.000 0.415 137 F N 1.114 120.868 119.950 -0.327 0.000 2.377 137 F HA 0.159 4.687 4.527 0.001 0.000 0.360 137 F C 0.845 176.573 175.800 -0.120 0.000 1.147 137 F CA -0.435 57.376 58.000 -0.314 0.000 1.170 137 F CB 0.322 38.918 39.000 -0.674 0.000 1.339 137 F HN 0.032 nan 8.300 nan 0.000 0.552 138 F N 0.343 120.198 119.950 -0.159 0.000 2.724 138 F HA 0.404 4.932 4.527 0.001 0.000 0.306 138 F C 0.432 176.244 175.800 0.019 0.000 1.100 138 F CA -0.214 57.733 58.000 -0.089 0.000 1.255 138 F CB 0.082 38.967 39.000 -0.192 0.000 1.072 138 F HN 0.226 nan 8.300 nan 0.000 0.589 139 S N 0.163 115.348 115.700 -0.859 0.000 2.570 139 S HA 0.695 5.166 4.470 0.001 0.000 0.286 139 S C -1.191 173.289 174.600 -0.201 0.000 1.099 139 S CA -0.278 57.598 58.200 -0.541 0.000 0.913 139 S CB 1.211 63.920 63.200 -0.820 0.000 1.085 139 S HN 0.655 nan 8.310 nan 0.000 0.480 140 H N 0.524 119.468 119.070 -0.209 0.000 2.933 140 H HA 0.767 5.324 4.556 0.001 0.000 0.310 140 H C -1.342 173.882 175.328 -0.174 0.000 1.351 140 H CA -1.088 54.800 56.048 -0.266 0.000 1.137 140 H CB 1.036 30.697 29.762 -0.170 0.000 1.853 140 H HN 0.628 nan 8.280 nan 0.000 0.539 141 R N 1.600 121.975 120.500 -0.208 0.000 2.510 141 R HA 0.299 4.639 4.340 0.001 0.000 0.294 141 R C -1.363 174.956 176.300 0.033 0.000 1.056 141 R CA -0.772 55.231 56.100 -0.161 0.000 0.918 141 R CB 1.355 31.599 30.300 -0.093 0.000 1.187 141 R HN 0.892 nan 8.270 nan 0.000 0.437 145 Q N 1.428 121.187 119.800 -0.069 0.000 2.079 145 Q HA 0.126 4.466 4.340 0.001 0.000 0.200 145 Q C 2.064 177.993 176.000 -0.118 0.000 0.974 145 Q CA 1.405 57.168 55.803 -0.066 0.000 0.840 145 Q CB -0.043 28.662 28.738 -0.056 0.000 0.898 145 Q HN 0.150 nan 8.270 nan 0.000 0.430 146 V N 0.253 120.032 119.914 -0.226 0.000 2.295 146 V HA -0.246 3.875 4.120 0.001 0.000 0.246 146 V C 2.062 177.980 176.094 -0.293 0.000 1.049 146 V CA 1.545 63.597 62.300 -0.413 0.000 1.024 146 V CB -0.514 30.867 31.823 -0.735 0.000 0.648 146 V HN 0.350 nan 8.190 nan 0.000 0.447 147 L N -0.315 120.793 121.223 -0.191 0.000 2.093 147 L HA -0.167 4.174 4.340 0.001 0.000 0.208 147 L C 2.378 179.289 176.870 0.069 0.000 1.085 147 L CA 1.385 56.216 54.840 -0.014 0.000 0.755 147 L CB -0.733 41.326 42.059 -0.000 0.000 0.904 147 L HN 0.337 nan 8.230 nan 0.000 0.435 148 D N 0.357 120.766 120.400 0.015 0.000 2.104 148 D HA -0.186 4.455 4.640 0.001 0.000 0.194 148 D C 2.236 178.568 176.300 0.053 0.000 0.994 148 D CA 1.641 55.660 54.000 0.032 0.000 0.830 148 D CB -0.099 40.707 40.800 0.010 0.000 0.959 148 D HN 0.309 nan 8.370 nan 0.000 0.452 149 A N 0.085 122.934 122.820 0.048 0.000 1.877 149 A HA -0.233 4.087 4.320 0.001 0.000 0.216 149 A C 2.252 179.926 177.584 0.151 0.000 1.186 149 A CA 1.454 53.541 52.037 0.083 0.000 0.620 149 A CB -1.176 17.870 19.000 0.078 0.000 0.822 149 A HN 0.315 nan 8.150 nan 0.000 0.443 150 Y N 1.046 121.399 120.300 0.088 0.000 2.097 150 Y HA -0.228 4.322 4.550 0.001 0.000 0.282 150 Y C 2.257 178.234 175.900 0.128 0.000 1.152 150 Y CA 2.332 60.539 58.100 0.179 0.000 1.136 150 Y CB -0.386 38.231 38.460 0.261 0.000 0.975 150 Y HN 0.502 nan 8.280 nan 0.000 0.498 151 E N -0.638 119.637 120.200 0.126 0.000 2.265 151 E HA -0.184 4.166 4.350 0.001 0.000 0.196 151 E C 0.875 177.456 176.600 -0.031 0.000 0.996 151 E CA 1.081 57.495 56.400 0.023 0.000 0.832 151 E CB -0.219 29.536 29.700 0.091 0.000 0.756 151 E HN 0.485 nan 8.360 nan 0.000 0.491 152 N N 0.183 118.878 118.700 -0.010 0.000 2.279 152 N HA 0.053 4.794 4.740 0.001 0.000 0.226 152 N C -0.660 174.833 175.510 -0.029 0.000 1.126 152 N CA 0.031 53.073 53.050 -0.013 0.000 0.846 152 N CB 0.519 39.012 38.487 0.011 0.000 1.050 152 N HN -0.098 nan 8.380 nan 0.000 0.502 153 K N -0.873 119.481 120.400 -0.078 0.000 3.274 153 K HA -0.220 4.100 4.320 0.001 0.000 0.300 153 K C -0.707 175.882 176.600 -0.018 0.000 1.230 153 K CA 0.781 57.020 56.287 -0.081 0.000 0.884 153 K CB -1.520 30.944 32.500 -0.060 0.000 1.242 153 K HN 0.310 nan 8.250 nan 0.000 0.467 154 K N 1.093 121.509 120.400 0.026 0.000 2.143 154 K HA 0.277 4.598 4.320 0.001 0.000 0.272 154 K C -2.165 174.514 176.600 0.132 0.000 1.001 154 K CA -1.935 54.393 56.287 0.068 0.000 0.915 154 K CB 0.973 33.517 32.500 0.072 0.000 1.047 154 K HN -0.061 nan 8.250 nan 0.000 0.458 155 P HA 0.178 nan 4.420 nan 0.000 0.276 155 P C -1.061 176.385 177.300 0.244 0.000 1.244 155 P CA -0.273 62.917 63.100 0.150 0.000 0.801 155 P CB 0.466 32.231 31.700 0.109 0.000 1.006 156 F N 0.205 120.215 119.950 0.100 0.000 2.654 156 F HA 0.673 5.200 4.527 0.001 0.000 0.308 156 F C -1.876 173.997 175.800 0.122 0.000 1.108 156 F CA -1.544 56.484 58.000 0.046 0.000 0.957 156 F CB 1.026 39.987 39.000 -0.065 0.000 1.309 156 F HN 0.453 nan 8.300 nan 0.000 0.446 157 Y N 1.503 121.892 120.300 0.148 0.000 2.570 157 Y HA 0.853 5.404 4.550 0.001 0.000 0.345 157 Y C -1.730 174.275 175.900 0.175 0.000 1.014 157 Y CA -1.763 56.372 58.100 0.057 0.000 1.063 157 Y CB 1.550 40.106 38.460 0.160 0.000 1.272 157 Y HN 0.783 nan 8.280 nan 0.000 0.477 158 L N 3.344 124.648 121.223 0.134 0.000 2.343 158 L HA 0.429 4.770 4.340 0.001 0.000 0.275 158 L C -1.212 175.751 176.870 0.156 0.000 1.056 158 L CA -1.036 53.836 54.840 0.054 0.000 0.804 158 L CB 1.398 43.489 42.059 0.053 0.000 1.203 158 L HN 0.762 nan 8.230 nan 0.000 0.440 159 Y N 1.777 122.021 120.300 -0.093 0.000 2.401 159 Y HA 0.605 5.156 4.550 0.001 0.000 0.330 159 Y C -0.821 175.035 175.900 -0.072 0.000 1.071 159 Y CA -0.850 57.242 58.100 -0.014 0.000 1.049 159 Y CB 1.924 40.397 38.460 0.021 0.000 1.239 159 Y HN 0.580 nan 8.280 nan 0.000 0.437 160 T N 3.126 117.582 114.554 -0.164 0.000 2.787 160 T HA 0.896 5.247 4.350 0.001 0.000 0.297 160 T C -0.909 173.725 174.700 -0.110 0.000 1.221 160 T CA -0.068 61.814 62.100 -0.364 0.000 1.006 160 T CB 1.589 70.284 68.868 -0.288 0.000 1.328 160 T HN 1.259 nan 8.240 nan 0.000 0.509 161 G N 0.563 109.310 108.800 -0.088 0.000 2.721 161 G HA2 0.687 4.647 3.960 0.001 0.000 0.296 161 G HA3 0.687 4.647 3.960 0.001 0.000 0.296 161 G C -1.905 173.077 174.900 0.137 0.000 1.383 161 G CA -0.764 44.379 45.100 0.071 0.000 0.788 161 G HN 0.710 nan 8.290 nan 0.000 0.500 162 R N -0.960 119.607 120.500 0.112 0.000 2.536 162 R HA 0.576 4.916 4.340 0.001 0.000 0.269 162 R C -0.346 175.967 176.300 0.021 0.000 1.113 162 R CA -0.074 56.084 56.100 0.097 0.000 0.948 162 R CB 1.294 31.658 30.300 0.107 0.000 1.237 162 R HN 1.068 nan 8.270 nan 0.000 0.441 163 G N 4.527 113.334 108.800 0.012 0.000 2.391 163 G HA2 0.405 4.366 3.960 0.001 0.000 0.305 163 G HA3 0.405 4.366 3.960 0.001 0.000 0.305 163 G C -2.347 172.541 174.900 -0.020 0.000 1.072 163 G CA -1.384 43.718 45.100 0.004 0.000 1.016 163 G HN 0.456 nan 8.290 nan 0.000 0.418 164 P HA 0.158 nan 4.420 nan 0.000 0.265 164 P C -0.037 177.250 177.300 -0.023 0.000 1.187 164 P CA 0.311 63.381 63.100 -0.049 0.000 0.766 164 P CB 1.108 32.777 31.700 -0.051 0.000 0.820 165 S N 1.819 117.495 115.700 -0.040 0.000 2.550 165 S HA 0.223 4.693 4.470 0.001 0.000 0.274 165 S C -0.559 174.019 174.600 -0.037 0.000 1.110 165 S CA -0.579 57.613 58.200 -0.013 0.000 1.013 165 S CB 0.115 63.328 63.200 0.022 0.000 1.152 165 S HN 0.369 nan 8.310 nan 0.000 0.450 166 S N 3.869 119.546 115.700 -0.038 0.000 3.361 166 S HA 0.005 4.475 4.470 0.001 0.000 0.396 166 S C 0.763 175.318 174.600 -0.074 0.000 1.165 166 S CA 0.942 59.109 58.200 -0.055 0.000 1.192 166 S CB -0.398 62.775 63.200 -0.045 0.000 0.843 166 S HN 0.768 nan 8.310 nan 0.000 0.528 167 E N -0.183 119.973 120.200 -0.074 0.000 2.604 167 E HA -0.265 4.085 4.350 0.001 0.000 0.255 167 E C 0.265 176.796 176.600 -0.115 0.000 1.164 167 E CA 1.176 57.527 56.400 -0.080 0.000 0.737 167 E CB -2.175 27.466 29.700 -0.098 0.000 1.317 167 E HN 0.747 nan 8.360 nan 0.000 0.417 171 V N 0.597 120.470 119.914 -0.068 0.000 2.469 171 V HA -0.161 3.959 4.120 0.001 0.000 0.251 171 V C 2.485 178.333 176.094 -0.410 0.000 1.064 171 V CA 2.557 64.663 62.300 -0.324 0.000 1.066 171 V CB -1.162 30.340 31.823 -0.535 0.000 0.667 171 V HN 0.988 nan 8.190 nan 0.000 0.461 172 G N -1.109 107.559 108.800 -0.219 0.000 2.450 172 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 172 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 172 G C 1.263 176.100 174.900 -0.104 0.000 1.130 172 G CA 0.971 45.932 45.100 -0.232 0.000 0.760 172 G HN 0.649 nan 8.290 nan 0.000 0.557 173 H N -0.345 118.691 119.070 -0.057 0.000 2.521 173 H HA 0.175 4.731 4.556 0.001 0.000 0.286 173 H C 2.419 177.868 175.328 0.202 0.000 1.034 173 H CA 0.213 56.265 56.048 0.005 0.000 1.278 173 H CB 0.087 29.764 29.762 -0.142 0.000 1.386 173 H HN 0.257 nan 8.280 nan 0.000 0.567 174 L N -0.308 121.035 121.223 0.199 0.000 2.217 174 L HA -0.130 4.210 4.340 0.001 0.000 0.211 174 L C 1.617 178.714 176.870 0.378 0.000 1.107 174 L CA 0.247 55.257 54.840 0.284 0.000 0.783 174 L CB -0.151 42.021 42.059 0.188 0.000 0.919 174 L HN 0.268 nan 8.230 nan 0.000 0.442 175 I N 0.403 121.108 120.570 0.225 0.000 2.091 175 I HA -0.207 3.964 4.170 0.001 0.000 0.239 175 I C -0.284 176.060 176.117 0.379 0.000 1.061 175 I CA 2.058 63.465 61.300 0.179 0.000 1.317 175 I CB -1.747 36.133 38.000 -0.199 0.000 1.031 175 I HN 0.140 nan 8.210 nan 0.000 0.401 176 P HA -0.128 nan 4.420 nan 0.000 0.216 176 P C 1.877 179.277 177.300 0.166 0.000 1.153 176 P CA 1.539 64.774 63.100 0.225 0.000 0.848 176 P CB -0.095 31.551 31.700 -0.090 0.000 0.787 177 F N -1.104 119.057 119.950 0.352 0.000 2.206 177 F HA -0.056 4.472 4.527 0.001 0.000 0.298 177 F C 2.324 178.334 175.800 0.351 0.000 1.090 177 F CA 1.023 59.261 58.000 0.396 0.000 1.323 177 F CB -1.145 38.061 39.000 0.344 0.000 1.028 177 F HN -0.190 nan 8.300 nan 0.000 0.492 178 I N -1.321 119.536 120.570 0.477 0.000 2.252 178 I HA -0.315 3.855 4.170 0.001 0.000 0.245 178 I C 2.360 178.638 176.117 0.269 0.000 1.102 178 I CA 1.193 62.692 61.300 0.332 0.000 1.385 178 I CB -0.404 37.828 38.000 0.387 0.000 1.064 178 I HN 0.056 nan 8.210 nan 0.000 0.414 179 F N 1.617 121.661 119.950 0.157 0.000 2.146 179 F HA -0.206 4.321 4.527 0.001 0.000 0.298 179 F C 2.575 178.413 175.800 0.064 0.000 1.096 179 F CA 1.802 59.757 58.000 -0.074 0.000 1.275 179 F CB -0.685 38.255 39.000 -0.099 0.000 1.008 179 F HN -0.050 nan 8.300 nan 0.000 0.480 180 T N 0.455 115.096 114.554 0.146 0.000 2.720 180 T HA -0.250 4.101 4.350 0.001 0.000 0.268 180 T C 2.066 176.911 174.700 0.243 0.000 1.037 180 T CA 1.742 63.914 62.100 0.121 0.000 1.144 180 T CB -0.339 68.670 68.868 0.235 0.000 0.864 180 T HN 0.256 nan 8.240 nan 0.000 0.444 181 K N -0.484 120.113 120.400 0.328 0.000 2.097 181 K HA -0.161 4.160 4.320 0.001 0.000 0.206 181 K C 2.192 178.841 176.600 0.082 0.000 1.049 181 K CA 1.266 57.640 56.287 0.146 0.000 0.933 181 K CB -0.284 32.023 32.500 -0.321 0.000 0.717 181 K HN 0.448 nan 8.250 nan 0.000 0.442 182 W N 1.771 122.997 121.300 -0.124 0.000 2.355 182 W HA -0.172 4.488 4.660 0.001 0.000 0.309 182 W C 1.532 177.942 176.519 -0.182 0.000 1.206 182 W CA 1.453 58.707 57.345 -0.151 0.000 1.284 182 W CB -0.323 29.009 29.460 -0.213 0.000 1.145 182 W HN 0.010 nan 8.180 nan 0.000 0.502 183 L N 0.205 121.267 121.223 -0.269 0.000 2.046 183 L HA -0.268 4.072 4.340 0.001 0.000 0.208 183 L C 2.733 179.527 176.870 -0.127 0.000 1.077 183 L CA 1.984 56.653 54.840 -0.285 0.000 0.747 183 L CB -1.121 40.799 42.059 -0.232 0.000 0.896 183 L HN 0.139 nan 8.230 nan 0.000 0.432 184 Q N 0.010 119.777 119.800 -0.056 0.000 2.084 184 Q HA -0.227 4.113 4.340 0.001 0.000 0.202 184 Q C 1.659 177.616 176.000 -0.071 0.000 0.978 184 Q CA 1.806 57.606 55.803 -0.005 0.000 0.844 184 Q CB 0.127 28.944 28.738 0.132 0.000 0.898 184 Q HN 0.465 nan 8.270 nan 0.000 0.426 185 D N -0.144 120.171 120.400 -0.141 0.000 2.084 185 D HA -0.145 4.495 4.640 0.001 0.000 0.196 185 D C 1.963 178.090 176.300 -0.288 0.000 0.985 185 D CA 1.799 55.694 54.000 -0.175 0.000 0.826 185 D CB -0.254 40.452 40.800 -0.157 0.000 0.978 185 D HN 0.362 nan 8.370 nan 0.000 0.456 186 V N -1.895 117.686 119.914 -0.556 0.000 2.809 186 V HA -0.049 4.071 4.120 0.001 0.000 0.256 186 V C 1.698 177.394 176.094 -0.663 0.000 1.080 186 V CA 1.195 63.080 62.300 -0.692 0.000 1.102 186 V CB -0.752 30.366 31.823 -1.175 0.000 0.705 186 V HN -0.059 nan 8.190 nan 0.000 0.475 187 F N 0.593 120.314 119.950 -0.382 0.000 2.717 187 F HA 0.401 4.929 4.527 0.001 0.000 0.297 187 F C 1.180 176.886 175.800 -0.157 0.000 1.113 187 F CA -0.097 57.697 58.000 -0.342 0.000 1.319 187 F CB -0.274 38.473 39.000 -0.421 0.000 1.097 187 F HN 0.372 nan 8.300 nan 0.000 0.595 188 N N 0.977 119.668 118.700 -0.016 0.000 2.696 188 N HA -0.166 4.574 4.740 0.001 0.000 0.256 188 N C -1.045 174.442 175.510 -0.038 0.000 1.031 188 N CA 0.721 53.762 53.050 -0.015 0.000 0.730 188 N CB -0.959 37.536 38.487 0.012 0.000 0.894 188 N HN 0.140 nan 8.380 nan 0.000 0.544 189 V N -1.919 117.929 119.914 -0.110 0.000 2.960 189 V HA 0.884 5.004 4.120 0.001 0.000 0.315 189 V C -2.073 173.976 176.094 -0.076 0.000 1.087 189 V CA -1.886 60.299 62.300 -0.192 0.000 0.982 189 V CB 2.091 33.553 31.823 -0.602 0.000 1.039 189 V HN 0.125 nan 8.190 nan 0.000 0.437 190 P HA 0.449 nan 4.420 nan 0.000 0.274 190 P C -1.133 176.235 177.300 0.114 0.000 1.246 190 P CA -0.172 62.954 63.100 0.043 0.000 0.795 190 P CB 1.565 33.287 31.700 0.037 0.000 1.006 191 L N 1.767 123.052 121.223 0.102 0.000 2.482 191 L HA 0.525 4.865 4.340 0.001 0.000 0.263 191 L C -1.274 175.658 176.870 0.103 0.000 0.957 191 L CA -0.978 53.938 54.840 0.128 0.000 0.836 191 L CB 2.179 44.270 42.059 0.054 0.000 1.324 191 L HN 0.261 nan 8.230 nan 0.000 0.406 192 V N 2.630 122.642 119.914 0.163 0.000 2.495 192 V HA 0.691 4.812 4.120 0.001 0.000 0.298 192 V C -0.504 175.713 176.094 0.205 0.000 1.031 192 V CA -0.496 61.874 62.300 0.118 0.000 0.871 192 V CB 1.532 33.288 31.823 -0.113 0.000 0.988 192 V HN 0.694 nan 8.190 nan 0.000 0.432 193 I N 4.599 125.195 120.570 0.044 0.000 2.382 193 I HA 0.458 4.629 4.170 0.001 0.000 0.285 193 I C 0.158 176.057 176.117 -0.364 0.000 1.007 193 I CA -0.288 60.987 61.300 -0.042 0.000 1.142 193 I CB 1.698 39.624 38.000 -0.124 0.000 1.289 193 I HN 0.869 nan 8.210 nan 0.000 0.453 197 D N 1.417 121.887 120.400 0.117 0.000 2.178 197 D HA -0.149 4.492 4.640 0.001 0.000 0.202 197 D C 1.516 177.926 176.300 0.184 0.000 0.974 197 D CA 1.631 55.710 54.000 0.132 0.000 0.841 197 D CB -0.122 40.763 40.800 0.142 0.000 0.953 197 D HN 0.604 nan 8.370 nan 0.000 0.478 198 D N 0.960 121.488 120.400 0.212 0.000 2.144 198 D HA -0.222 4.419 4.640 0.001 0.000 0.200 198 D C 1.851 178.293 176.300 0.237 0.000 0.978 198 D CA 1.078 55.230 54.000 0.254 0.000 0.833 198 D CB -0.767 40.209 40.800 0.295 0.000 0.961 198 D HN 0.478 nan 8.370 nan 0.000 0.470 199 E N 0.593 120.844 120.200 0.085 0.000 2.077 199 E HA -0.205 4.145 4.350 0.001 0.000 0.193 199 E C 1.744 178.426 176.600 0.136 0.000 0.989 199 E CA 0.909 57.192 56.400 -0.196 0.000 0.800 199 E CB 0.164 29.478 29.700 -0.643 0.000 0.746 199 E HN -0.033 nan 8.360 nan 0.000 0.452 200 K N 0.114 120.590 120.400 0.127 0.000 2.057 200 K HA -0.181 4.139 4.320 0.001 0.000 0.207 200 K C 2.032 178.757 176.600 0.208 0.000 1.049 200 K CA 1.138 57.523 56.287 0.164 0.000 0.931 200 K CB -0.727 31.846 32.500 0.122 0.000 0.714 200 K HN 0.328 nan 8.250 nan 0.000 0.440 201 Y N 1.488 121.850 120.300 0.102 0.000 2.242 201 Y HA -0.129 4.421 4.550 0.001 0.000 0.291 201 Y C 1.963 177.899 175.900 0.060 0.000 1.137 201 Y CA 1.267 59.413 58.100 0.077 0.000 1.181 201 Y CB -0.221 38.282 38.460 0.071 0.000 0.989 201 Y HN -0.081 nan 8.280 nan 0.000 0.527 202 L N -1.689 119.585 121.223 0.085 0.000 2.109 202 L HA -0.199 4.141 4.340 0.001 0.000 0.207 202 L C 2.266 178.999 176.870 -0.228 0.000 1.086 202 L CA 0.897 55.666 54.840 -0.118 0.000 0.760 202 L CB -0.521 41.504 42.059 -0.057 0.000 0.910 202 L HN 0.391 nan 8.230 nan 0.000 0.437 203 W N 0.512 121.734 121.300 -0.131 0.000 2.640 203 W HA 0.078 4.739 4.660 0.001 0.000 0.268 203 W C 1.072 177.536 176.519 -0.092 0.000 1.263 203 W CA 0.171 57.454 57.345 -0.103 0.000 1.344 203 W CB 0.436 29.874 29.460 -0.037 0.000 1.093 203 W HN 0.057 nan 8.180 nan 0.000 0.603 204 K N 0.122 120.583 120.400 0.102 0.000 2.303 204 K HA 0.130 4.450 4.320 0.001 0.000 0.233 204 K C -0.551 176.012 176.600 -0.060 0.000 1.046 204 K CA -0.763 55.548 56.287 0.040 0.000 0.895 204 K CB 0.969 33.517 32.500 0.080 0.000 1.220 204 K HN -0.447 nan 8.250 nan 0.000 0.470 205 D N 2.222 122.600 120.400 -0.036 0.000 2.524 205 D HA 0.263 4.904 4.640 0.001 0.000 0.222 205 D C -1.317 174.974 176.300 -0.016 0.000 1.142 205 D CA -0.246 53.720 54.000 -0.057 0.000 0.973 205 D CB -0.312 40.466 40.800 -0.036 0.000 1.025 205 D HN 0.336 nan 8.370 nan 0.000 0.519 206 L N -0.349 120.870 121.223 -0.008 0.000 2.630 206 L HA 0.625 4.965 4.340 0.001 0.000 0.258 206 L C 0.143 177.134 176.870 0.202 0.000 1.072 206 L CA -1.102 53.788 54.840 0.083 0.000 0.885 206 L CB 0.755 42.876 42.059 0.103 0.000 1.502 206 L HN -0.044 nan 8.230 nan 0.000 0.406 207 T N -1.937 112.737 114.554 0.199 0.000 2.874 207 T HA 0.533 4.884 4.350 0.001 0.000 0.281 207 T C 1.134 175.960 174.700 0.211 0.000 0.994 207 T CA -0.583 61.656 62.100 0.231 0.000 1.015 207 T CB 0.732 69.673 68.868 0.120 0.000 1.028 207 T HN 0.666 nan 8.240 nan 0.000 0.523 208 L N 0.250 121.501 121.223 0.047 0.000 2.046 208 L HA -0.066 4.274 4.340 0.001 0.000 0.208 208 L C 2.482 179.378 176.870 0.044 0.000 1.077 208 L CA 1.397 56.182 54.840 -0.092 0.000 0.747 208 L CB -0.543 41.366 42.059 -0.250 0.000 0.896 208 L HN 0.711 nan 8.230 nan 0.000 0.432 209 D N -0.285 120.148 120.400 0.056 0.000 2.144 209 D HA -0.186 4.454 4.640 0.001 0.000 0.199 209 D C 2.280 178.661 176.300 0.135 0.000 0.984 209 D CA 1.101 55.164 54.000 0.105 0.000 0.834 209 D CB -0.106 40.736 40.800 0.070 0.000 0.955 209 D HN 0.443 nan 8.370 nan 0.000 0.465 210 Q N 0.517 120.382 119.800 0.107 0.000 2.050 210 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 210 Q C 2.317 178.375 176.000 0.096 0.000 0.980 210 Q CA 1.385 57.242 55.803 0.091 0.000 0.840 210 Q CB -0.154 28.636 28.738 0.086 0.000 0.898 210 Q HN 0.203 nan 8.270 nan 0.000 0.424 211 A N 0.502 123.402 122.820 0.134 0.000 1.883 211 A HA -0.246 4.074 4.320 0.001 0.000 0.217 211 A C 1.957 179.611 177.584 0.117 0.000 1.186 211 A CA 1.623 53.742 52.037 0.136 0.000 0.624 211 A CB -0.978 18.137 19.000 0.191 0.000 0.822 211 A HN 0.525 nan 8.150 nan 0.000 0.444 212 Y N 0.901 121.215 120.300 0.023 0.000 2.224 212 Y HA -0.034 4.516 4.550 0.001 0.000 0.289 212 Y C 2.421 178.324 175.900 0.006 0.000 1.146 212 Y CA 1.239 59.346 58.100 0.012 0.000 1.182 212 Y CB -0.789 37.674 38.460 0.005 0.000 0.983 212 Y HN 0.217 nan 8.280 nan 0.000 0.524 213 G N -0.185 108.593 108.800 -0.036 0.000 2.418 213 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 213 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 213 G C 1.317 176.129 174.900 -0.147 0.000 1.158 213 G CA 1.151 46.184 45.100 -0.112 0.000 0.771 213 G HN 0.397 nan 8.290 nan 0.000 0.545 214 D N 0.956 121.303 120.400 -0.089 0.000 2.178 214 D HA 0.019 4.659 4.640 0.001 0.000 0.202 214 D C 2.757 178.977 176.300 -0.133 0.000 0.974 214 D CA 1.022 54.971 54.000 -0.084 0.000 0.841 214 D CB -0.322 40.457 40.800 -0.034 0.000 0.953 214 D HN 0.322 nan 8.370 nan 0.000 0.478 215 A N 0.681 123.396 122.820 -0.174 0.000 1.873 215 A HA -0.118 4.202 4.320 0.001 0.000 0.215 215 A C 2.493 179.918 177.584 -0.265 0.000 1.186 215 A CA 1.077 52.991 52.037 -0.204 0.000 0.616 215 A CB -0.693 18.189 19.000 -0.196 0.000 0.823 215 A HN 0.142 nan 8.150 nan 0.000 0.442 216 V N 0.166 119.855 119.914 -0.374 0.000 2.427 216 V HA -0.182 3.938 4.120 0.001 0.000 0.248 216 V C 2.568 178.542 176.094 -0.200 0.000 1.051 216 V CA 2.010 64.122 62.300 -0.313 0.000 1.048 216 V CB -0.658 30.942 31.823 -0.372 0.000 0.666 216 V HN 0.485 nan 8.190 nan 0.000 0.456 217 E N 0.344 120.440 120.200 -0.173 0.000 2.028 217 E HA -0.148 4.202 4.350 0.001 0.000 0.190 217 E C 2.110 178.629 176.600 -0.136 0.000 0.984 217 E CA 1.059 57.382 56.400 -0.129 0.000 0.800 217 E CB -0.560 29.079 29.700 -0.101 0.000 0.758 217 E HN 0.650 nan 8.360 nan 0.000 0.448 218 N N 0.647 119.258 118.700 -0.148 0.000 2.272 218 N HA -0.167 4.574 4.740 0.001 0.000 0.185 218 N C 1.753 177.141 175.510 -0.203 0.000 1.014 218 N CA 0.818 53.767 53.050 -0.168 0.000 0.870 218 N CB -0.009 38.373 38.487 -0.175 0.000 0.975 218 N HN 0.073 nan 8.380 nan 0.000 0.433 219 A N 1.559 124.257 122.820 -0.203 0.000 1.978 219 A HA -0.171 4.150 4.320 0.001 0.000 0.220 219 A C 2.062 179.508 177.584 -0.230 0.000 1.170 219 A CA 1.286 53.187 52.037 -0.226 0.000 0.636 219 A CB -0.224 18.655 19.000 -0.202 0.000 0.810 219 A HN 0.238 nan 8.150 nan 0.000 0.448 220 K N -0.350 119.941 120.400 -0.182 0.000 2.057 220 K HA -0.115 4.206 4.320 0.001 0.000 0.206 220 K C 1.448 177.949 176.600 -0.164 0.000 1.050 220 K CA 1.296 57.483 56.287 -0.167 0.000 0.935 220 K CB -0.219 32.208 32.500 -0.122 0.000 0.715 220 K HN 0.445 nan 8.250 nan 0.000 0.439 221 D N 1.092 121.414 120.400 -0.129 0.000 2.123 221 D HA -0.163 4.477 4.640 0.001 0.000 0.196 221 D C 1.931 178.190 176.300 -0.068 0.000 0.992 221 D CA 1.042 55.020 54.000 -0.036 0.000 0.833 221 D CB -0.052 40.721 40.800 -0.045 0.000 0.954 221 D HN 0.086 nan 8.370 nan 0.000 0.455 222 I N 1.259 121.695 120.570 -0.223 0.000 2.142 222 I HA -0.200 3.970 4.170 0.001 0.000 0.240 222 I C 2.694 178.789 176.117 -0.036 0.000 1.078 222 I CA 0.752 61.900 61.300 -0.254 0.000 1.343 222 I CB -1.094 36.677 38.000 -0.381 0.000 1.046 222 I HN 0.014 nan 8.210 nan 0.000 0.405 223 I N 1.322 121.768 120.570 -0.206 0.000 2.264 223 I HA -0.280 3.890 4.170 0.001 0.000 0.248 223 I C 2.600 178.625 176.117 -0.153 0.000 1.111 223 I CA 1.408 62.522 61.300 -0.311 0.000 1.382 223 I CB -0.481 37.170 38.000 -0.582 0.000 1.060 223 I HN 0.143 nan 8.210 nan 0.000 0.418 224 A N -0.464 122.255 122.820 -0.168 0.000 2.186 224 A HA -0.212 4.109 4.320 0.001 0.000 0.219 224 A C 2.244 179.757 177.584 -0.119 0.000 1.159 224 A CA 1.371 53.274 52.037 -0.222 0.000 0.680 224 A CB -1.083 17.605 19.000 -0.519 0.000 0.787 224 A HN 0.590 nan 8.150 nan 0.000 0.467 225 C N -1.669 117.610 119.300 -0.035 0.000 2.491 225 C HA 0.364 4.825 4.460 0.001 0.000 0.277 225 C C 2.063 176.907 174.990 -0.243 0.000 1.455 225 C CA 0.584 59.556 59.018 -0.076 0.000 1.758 225 C CB -1.194 26.477 27.740 -0.116 0.000 1.745 225 C HN 1.074 nan 8.230 nan 0.000 0.558 226 G N -0.641 108.041 108.800 -0.197 0.000 2.163 226 G HA2 -0.201 3.760 3.960 0.001 0.000 0.213 226 G HA3 -0.201 3.760 3.960 0.001 0.000 0.213 226 G C -0.032 174.804 174.900 -0.106 0.000 0.991 226 G CA -0.578 44.441 45.100 -0.136 0.000 0.653 226 G HN 0.343 nan 8.290 nan 0.000 0.518 227 F N 1.712 121.724 119.950 0.104 0.000 2.602 227 F HA 0.327 4.854 4.527 0.001 0.000 0.367 227 F C 1.071 177.036 175.800 0.275 0.000 1.126 227 F CA -0.138 57.967 58.000 0.175 0.000 1.321 227 F CB 0.493 39.601 39.000 0.180 0.000 1.094 227 F HN 0.062 nan 8.300 nan 0.000 0.594 228 D N 3.623 124.255 120.400 0.386 0.000 2.358 228 D HA -0.028 4.613 4.640 0.001 0.000 0.258 228 D C 1.088 177.494 176.300 0.176 0.000 1.223 228 D CA 0.208 54.346 54.000 0.229 0.000 0.886 228 D CB 0.500 41.375 40.800 0.125 0.000 1.120 228 D HN 0.634 nan 8.370 nan 0.000 0.482 229 I N 3.709 124.275 120.570 -0.007 0.000 2.756 229 I HA -0.222 3.949 4.170 0.001 0.000 0.262 229 I C 1.004 176.890 176.117 -0.385 0.000 1.225 229 I CA 0.785 61.709 61.300 -0.627 0.000 1.472 229 I CB 0.035 37.586 38.000 -0.748 0.000 1.094 229 I HN 0.377 nan 8.210 nan 0.000 0.454 230 N N 0.303 118.902 118.700 -0.169 0.000 2.412 230 N HA -0.019 4.722 4.740 0.001 0.000 0.184 230 N C 0.789 176.238 175.510 -0.101 0.000 1.101 230 N CA 0.402 53.373 53.050 -0.131 0.000 0.881 230 N CB 0.310 38.747 38.487 -0.083 0.000 0.969 230 N HN 0.236 nan 8.380 nan 0.000 0.459 231 K N -0.163 120.202 120.400 -0.058 0.000 2.533 231 K HA 0.173 4.494 4.320 0.001 0.000 0.202 231 K C -0.748 175.863 176.600 0.019 0.000 1.096 231 K CA 0.107 56.377 56.287 -0.028 0.000 1.056 231 K CB 1.500 34.003 32.500 0.004 0.000 0.890 231 K HN -0.060 nan 8.250 nan 0.000 0.552 232 T N 0.967 115.545 114.554 0.041 0.000 2.841 232 T HA 0.357 4.707 4.350 0.001 0.000 0.285 232 T C -1.498 173.326 174.700 0.207 0.000 0.991 232 T CA -0.503 61.686 62.100 0.147 0.000 0.966 232 T CB 1.079 70.161 68.868 0.357 0.000 0.962 232 T HN 0.009 nan 8.240 nan 0.000 0.438 233 F N 4.689 124.629 119.950 -0.015 0.000 2.427 233 F HA 0.660 5.187 4.527 0.001 0.000 0.348 233 F C -1.178 174.663 175.800 0.069 0.000 1.125 233 F CA -1.888 56.099 58.000 -0.021 0.000 0.989 233 F CB 0.460 39.348 39.000 -0.187 0.000 1.165 233 F HN 0.449 nan 8.300 nan 0.000 0.442 234 I N 8.375 128.776 120.570 -0.282 0.000 2.362 234 I HA 0.356 4.527 4.170 0.001 0.000 0.289 234 I C -0.981 174.782 176.117 -0.591 0.000 0.994 234 I CA -0.797 60.278 61.300 -0.374 0.000 1.158 234 I CB 1.058 38.950 38.000 -0.179 0.000 1.315 234 I HN 0.523 nan 8.210 nan 0.000 0.451 235 F N 3.920 123.429 119.950 -0.736 0.000 2.576 235 F HA 0.745 5.273 4.527 0.001 0.000 0.313 235 F C -0.188 175.494 175.800 -0.197 0.000 1.078 235 F CA -0.984 56.666 58.000 -0.583 0.000 0.921 235 F CB 1.503 39.955 39.000 -0.913 0.000 1.232 235 F HN 0.360 nan 8.300 nan 0.000 0.459 236 S N 1.417 117.161 115.700 0.074 0.000 2.541 236 S HA 0.279 4.749 4.470 0.001 0.000 0.283 236 S C 0.224 174.987 174.600 0.271 0.000 1.196 236 S CA -0.553 57.705 58.200 0.097 0.000 1.062 236 S CB 1.193 64.538 63.200 0.242 0.000 1.009 236 S HN 0.726 nan 8.310 nan 0.000 0.502 237 D N 2.572 123.103 120.400 0.218 0.000 2.097 237 D HA -0.086 4.555 4.640 0.001 0.000 0.195 237 D C 1.919 178.338 176.300 0.198 0.000 0.989 237 D CA 1.326 55.481 54.000 0.259 0.000 0.827 237 D CB -0.287 40.689 40.800 0.294 0.000 0.966 237 D HN 0.591 nan 8.370 nan 0.000 0.456 238 L N 0.528 121.856 121.223 0.176 0.000 2.043 238 L HA -0.219 4.121 4.340 0.001 0.000 0.212 238 L C 2.181 179.080 176.870 0.047 0.000 1.075 238 L CA 1.239 56.135 54.840 0.093 0.000 0.752 238 L CB -0.290 41.812 42.059 0.070 0.000 0.891 238 L HN -0.032 nan 8.230 nan 0.000 0.432 239 D N -1.606 118.857 120.400 0.104 0.000 2.149 239 D HA -0.115 4.525 4.640 0.001 0.000 0.206 239 D C 0.898 177.285 176.300 0.144 0.000 0.967 239 D CA 0.344 54.383 54.000 0.065 0.000 0.848 239 D CB 0.099 40.966 40.800 0.112 0.000 0.998 239 D HN 0.053 nan 8.370 nan 0.000 0.474 245 S N 2.789 118.451 115.700 -0.064 0.000 2.650 245 S HA 0.270 4.740 4.470 0.001 0.000 0.219 245 S C 1.250 175.855 174.600 0.008 0.000 0.960 245 S CA 0.655 58.847 58.200 -0.013 0.000 0.925 245 S CB 0.157 63.353 63.200 -0.005 0.000 0.775 245 S HN 1.115 nan 8.310 nan 0.000 0.525 246 G N -0.348 108.453 108.800 0.002 0.000 2.626 246 G HA2 0.224 4.184 3.960 0.001 0.000 0.193 246 G HA3 0.224 4.184 3.960 0.001 0.000 0.193 246 G C 0.637 175.538 174.900 0.002 0.000 1.195 246 G CA -0.236 44.868 45.100 0.006 0.000 0.864 246 G HN 0.393 nan 8.290 nan 0.000 0.790 247 F N 0.855 120.717 119.950 -0.147 0.000 2.075 247 F HA -0.013 4.515 4.527 0.001 0.000 0.297 247 F C 2.289 178.090 175.800 0.002 0.000 1.113 247 F CA 1.686 59.609 58.000 -0.129 0.000 1.218 247 F CB -0.062 38.825 39.000 -0.188 0.000 0.984 247 F HN 0.146 nan 8.300 nan 0.000 0.472 248 Y N 1.333 121.721 120.300 0.147 0.000 2.224 248 Y HA -0.217 4.333 4.550 0.001 0.000 0.289 248 Y C 2.218 178.130 175.900 0.019 0.000 1.146 248 Y CA 1.852 60.009 58.100 0.095 0.000 1.182 248 Y CB -0.598 37.908 38.460 0.078 0.000 0.983 248 Y HN 0.031 nan 8.280 nan 0.000 0.524 249 K N -0.238 120.097 120.400 -0.108 0.000 2.097 249 K HA -0.182 4.139 4.320 0.001 0.000 0.206 249 K C 1.774 178.266 176.600 -0.179 0.000 1.049 249 K CA 1.442 57.623 56.287 -0.177 0.000 0.933 249 K CB -0.179 32.294 32.500 -0.045 0.000 0.717 249 K HN 0.296 nan 8.250 nan 0.000 0.442 250 N N 0.472 119.089 118.700 -0.140 0.000 2.216 250 N HA -0.094 4.647 4.740 0.001 0.000 0.183 250 N C 1.813 177.251 175.510 -0.119 0.000 1.017 250 N CA 0.711 53.712 53.050 -0.082 0.000 0.861 250 N CB -0.228 38.225 38.487 -0.056 0.000 0.986 250 N HN -0.067 nan 8.380 nan 0.000 0.428 251 V N 0.885 120.670 119.914 -0.215 0.000 2.287 251 V HA -0.194 3.927 4.120 0.001 0.000 0.248 251 V C 2.402 178.403 176.094 -0.155 0.000 1.053 251 V CA 1.266 63.479 62.300 -0.146 0.000 1.027 251 V CB -0.490 31.304 31.823 -0.048 0.000 0.646 251 V HN 0.057 nan 8.190 nan 0.000 0.447 252 V N -0.377 119.336 119.914 -0.336 0.000 2.332 252 V HA -0.304 3.816 4.120 0.001 0.000 0.248 252 V C 2.409 178.421 176.094 -0.136 0.000 1.055 252 V CA 2.149 64.281 62.300 -0.280 0.000 1.038 252 V CB -0.765 30.807 31.823 -0.419 0.000 0.651 252 V HN 0.542 nan 8.190 nan 0.000 0.450 253 K N -0.320 120.014 120.400 -0.110 0.000 2.063 253 K HA -0.141 4.180 4.320 0.001 0.000 0.208 253 K C 2.082 178.719 176.600 0.061 0.000 1.048 253 K CA 1.449 57.716 56.287 -0.034 0.000 0.928 253 K CB -0.262 32.201 32.500 -0.062 0.000 0.713 253 K HN 0.311 nan 8.250 nan 0.000 0.442 254 I N 1.678 122.284 120.570 0.060 0.000 2.179 254 I HA -0.260 3.910 4.170 0.001 0.000 0.242 254 I C 2.208 178.391 176.117 0.110 0.000 1.088 254 I CA 1.586 62.967 61.300 0.135 0.000 1.357 254 I CB -1.122 36.973 38.000 0.158 0.000 1.051 254 I HN 0.286 nan 8.210 nan 0.000 0.409 255 Q N 0.436 120.265 119.800 0.050 0.000 2.234 255 Q HA -0.244 4.096 4.340 0.001 0.000 0.206 255 Q C 2.155 178.148 176.000 -0.012 0.000 0.980 255 Q CA 1.391 57.218 55.803 0.040 0.000 0.869 255 Q CB -0.178 28.572 28.738 0.020 0.000 0.912 255 Q HN 0.446 nan 8.270 nan 0.000 0.436 256 K N -0.092 120.249 120.400 -0.099 0.000 2.296 256 K HA -0.089 4.231 4.320 0.001 0.000 0.200 256 K C 0.769 177.121 176.600 -0.413 0.000 1.048 256 K CA 0.692 56.817 56.287 -0.270 0.000 0.966 256 K CB 0.337 32.597 32.500 -0.401 0.000 0.754 256 K HN 0.295 nan 8.250 nan 0.000 0.466 257 H N -0.173 118.915 119.070 0.029 0.000 2.488 257 H HA 0.203 4.760 4.556 0.001 0.000 0.294 257 H C -0.910 174.459 175.328 0.069 0.000 1.088 257 H CA -0.035 56.035 56.048 0.038 0.000 1.086 257 H CB 0.535 30.308 29.762 0.017 0.000 1.569 257 H HN -0.131 nan 8.280 nan 0.000 0.548 258 V N 1.789 121.784 119.914 0.135 0.000 2.612 258 V HA 0.152 4.272 4.120 0.001 0.000 0.301 258 V C 0.389 176.577 176.094 0.156 0.000 1.059 258 V CA -0.933 61.464 62.300 0.162 0.000 0.886 258 V CB 2.151 34.094 31.823 0.201 0.000 1.007 258 V HN 0.375 nan 8.190 nan 0.000 0.426 259 T N 1.024 115.673 114.554 0.158 0.000 2.902 259 T HA 0.425 4.775 4.350 0.001 0.000 0.280 259 T C 0.890 175.760 174.700 0.283 0.000 0.992 259 T CA -0.307 61.901 62.100 0.181 0.000 1.015 259 T CB 1.132 70.080 68.868 0.134 0.000 1.044 259 T HN 0.373 nan 8.240 nan 0.000 0.520 260 F N 1.704 121.722 119.950 0.115 0.000 2.134 260 F HA -0.087 4.441 4.527 0.001 0.000 0.299 260 F C 2.248 178.136 175.800 0.147 0.000 1.097 260 F CA 1.560 59.648 58.000 0.147 0.000 1.264 260 F CB -0.998 38.070 39.000 0.113 0.000 1.001 260 F HN 0.815 nan 8.300 nan 0.000 0.479 261 N N 0.480 119.203 118.700 0.037 0.000 2.104 261 N HA -0.237 4.503 4.740 0.001 0.000 0.190 261 N C 1.803 177.298 175.510 -0.025 0.000 1.024 261 N CA 1.756 54.743 53.050 -0.105 0.000 0.853 261 N CB -0.290 38.172 38.487 -0.042 0.000 1.008 261 N HN 0.527 nan 8.380 nan 0.000 0.424 262 Q N 0.215 120.050 119.800 0.059 0.000 2.061 262 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 262 Q C 2.242 178.284 176.000 0.071 0.000 0.984 262 Q CA 2.127 57.963 55.803 0.055 0.000 0.846 262 Q CB -0.094 28.697 28.738 0.088 0.000 0.902 262 Q HN 0.487 nan 8.270 nan 0.000 0.421 263 V N -1.784 118.261 119.914 0.219 0.000 2.809 263 V HA -0.138 3.982 4.120 0.001 0.000 0.256 263 V C 1.693 177.911 176.094 0.207 0.000 1.080 263 V CA 1.398 63.912 62.300 0.358 0.000 1.102 263 V CB -0.429 31.800 31.823 0.677 0.000 0.705 263 V HN 0.162 nan 8.190 nan 0.000 0.475 264 K N 1.345 121.805 120.400 0.100 0.000 2.103 264 K HA 0.089 4.410 4.320 0.001 0.000 0.204 264 K C 2.284 178.857 176.600 -0.045 0.000 1.052 264 K CA 1.378 57.667 56.287 0.003 0.000 0.945 264 K CB -0.587 31.787 32.500 -0.210 0.000 0.722 264 K HN 0.590 nan 8.250 nan 0.000 0.443 265 G N 1.035 109.792 108.800 -0.071 0.000 2.394 265 G HA2 -0.164 3.797 3.960 0.001 0.000 0.215 265 G HA3 -0.164 3.797 3.960 0.001 0.000 0.215 265 G C 1.487 176.285 174.900 -0.169 0.000 1.165 265 G CA 0.447 45.491 45.100 -0.093 0.000 0.784 265 G HN 0.092 nan 8.290 nan 0.000 0.535 266 I N -0.637 119.762 120.570 -0.285 0.000 2.233 266 I HA 0.028 4.199 4.170 0.001 0.000 0.243 266 I C 1.948 177.634 176.117 -0.718 0.000 1.093 266 I CA 0.916 61.859 61.300 -0.596 0.000 1.380 266 I CB -0.084 37.355 38.000 -0.936 0.000 1.067 266 I HN 0.083 nan 8.210 nan 0.000 0.413 267 F N 0.154 119.931 119.950 -0.288 0.000 2.731 267 F HA 0.363 4.890 4.527 0.001 0.000 0.298 267 F C 1.685 177.334 175.800 -0.252 0.000 1.106 267 F CA 0.329 58.127 58.000 -0.338 0.000 1.329 267 F CB -0.072 38.399 39.000 -0.882 0.000 1.100 267 F HN 0.119 nan 8.300 nan 0.000 0.592 268 G N 0.485 109.258 108.800 -0.045 0.000 2.160 268 G HA2 -0.280 3.681 3.960 0.001 0.000 0.244 268 G HA3 -0.280 3.681 3.960 0.001 0.000 0.244 268 G C 0.068 175.073 174.900 0.175 0.000 1.022 268 G CA -0.524 44.618 45.100 0.069 0.000 0.741 268 G HN 0.071 nan 8.290 nan 0.000 0.508 269 F N 1.247 121.325 119.950 0.215 0.000 2.444 269 F HA 0.636 5.164 4.527 0.001 0.000 0.331 269 F C 1.357 177.243 175.800 0.144 0.000 1.167 269 F CA -0.171 57.949 58.000 0.201 0.000 1.262 269 F CB 0.887 40.089 39.000 0.337 0.000 1.196 269 F HN 0.327 nan 8.300 nan 0.000 0.583 270 T N -2.955 111.817 114.554 0.363 0.000 2.887 270 T HA 0.323 4.674 4.350 0.001 0.000 0.292 270 T C 0.296 175.195 174.700 0.332 0.000 1.087 270 T CA -0.828 61.415 62.100 0.237 0.000 1.009 270 T CB 1.587 70.533 68.868 0.129 0.000 1.203 270 T HN 0.346 nan 8.240 nan 0.000 0.518 271 D N 0.871 121.439 120.400 0.280 0.000 2.309 271 D HA -0.056 4.584 4.640 0.001 0.000 0.212 271 D C 1.965 178.339 176.300 0.123 0.000 0.968 271 D CA 1.502 55.676 54.000 0.291 0.000 0.882 271 D CB -0.142 40.783 40.800 0.209 0.000 0.918 271 D HN 0.678 nan 8.370 nan 0.000 0.503 272 S N -0.440 115.305 115.700 0.074 0.000 2.575 272 S HA -0.003 4.467 4.470 0.001 0.000 0.215 272 S C 0.545 175.115 174.600 -0.050 0.000 0.966 272 S CA -0.462 57.740 58.200 0.005 0.000 0.911 272 S CB 0.385 63.584 63.200 -0.002 0.000 0.780 272 S HN -0.110 nan 8.310 nan 0.000 0.514 273 D N 2.472 122.841 120.400 -0.052 0.000 2.362 273 D HA 0.224 4.864 4.640 0.001 0.000 0.242 273 D C 0.776 176.940 176.300 -0.227 0.000 1.132 273 D CA -0.189 53.703 54.000 -0.180 0.000 0.907 273 D CB 1.218 41.880 40.800 -0.231 0.000 1.195 273 D HN 0.559 nan 8.370 nan 0.000 0.429 274 C N 0.982 120.101 119.300 -0.302 0.000 2.657 274 C HA 0.278 4.739 4.460 0.001 0.000 0.404 274 C C 2.457 177.280 174.990 -0.279 0.000 1.291 274 C CA -0.878 57.984 59.018 -0.261 0.000 2.218 274 C CB -0.766 26.812 27.740 -0.269 0.000 2.687 274 C HN 0.689 nan 8.230 nan 0.000 0.634 275 I N 0.850 121.296 120.570 -0.207 0.000 2.567 275 I HA 0.085 4.255 4.170 0.001 0.000 0.257 275 I C 1.950 177.979 176.117 -0.147 0.000 1.184 275 I CA 1.821 63.005 61.300 -0.193 0.000 1.451 275 I CB -1.197 36.721 38.000 -0.136 0.000 1.089 275 I HN 0.828 nan 8.210 nan 0.000 0.441 276 G N 1.754 110.475 108.800 -0.132 0.000 2.418 276 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 276 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 276 G C 1.745 176.595 174.900 -0.083 0.000 1.158 276 G CA 0.579 45.649 45.100 -0.051 0.000 0.771 276 G HN 0.411 nan 8.290 nan 0.000 0.545 277 K N -0.100 120.082 120.400 -0.364 0.000 2.057 277 K HA 0.086 4.406 4.320 0.001 0.000 0.206 277 K C 2.423 178.767 176.600 -0.427 0.000 1.050 277 K CA 0.765 56.687 56.287 -0.609 0.000 0.935 277 K CB -0.228 31.541 32.500 -1.218 0.000 0.715 277 K HN 0.307 nan 8.250 nan 0.000 0.439 278 I N 1.296 121.613 120.570 -0.422 0.000 2.264 278 I HA -0.272 3.898 4.170 0.001 0.000 0.248 278 I C 2.211 178.413 176.117 0.142 0.000 1.111 278 I CA 1.499 62.703 61.300 -0.162 0.000 1.382 278 I CB -0.235 37.617 38.000 -0.247 0.000 1.060 278 I HN 0.186 nan 8.210 nan 0.000 0.418 279 S N -0.516 115.254 115.700 0.117 0.000 2.556 279 S HA 0.009 4.480 4.470 0.001 0.000 0.216 279 S C 1.698 176.451 174.600 0.254 0.000 0.970 279 S CA -0.417 57.892 58.200 0.182 0.000 0.912 279 S CB -0.548 62.728 63.200 0.125 0.000 0.790 279 S HN 0.411 nan 8.310 nan 0.000 0.504 280 F N 4.081 124.165 119.950 0.222 0.000 2.161 280 F HA 0.101 4.628 4.527 0.001 0.000 0.300 280 F C -1.285 174.700 175.800 0.308 0.000 1.089 280 F CA 0.599 58.782 58.000 0.306 0.000 1.282 280 F CB -1.418 37.861 39.000 0.464 0.000 1.010 280 F HN 0.191 nan 8.300 nan 0.000 0.485 281 P HA -0.216 nan 4.420 nan 0.000 0.217 281 P C 1.559 178.844 177.300 -0.025 0.000 1.148 281 P CA 2.315 65.440 63.100 0.041 0.000 0.828 281 P CB -0.344 31.480 31.700 0.207 0.000 0.783 282 A N -0.985 121.852 122.820 0.028 0.000 1.969 282 A HA -0.159 4.162 4.320 0.001 0.000 0.218 282 A C 2.149 179.722 177.584 -0.017 0.000 1.169 282 A CA 1.240 53.308 52.037 0.053 0.000 0.635 282 A CB -1.450 17.600 19.000 0.085 0.000 0.810 282 A HN 0.139 nan 8.150 nan 0.000 0.445 283 I N -0.929 119.579 120.570 -0.103 0.000 2.315 283 I HA -0.252 3.918 4.170 0.001 0.000 0.248 283 I C 2.711 178.814 176.117 -0.023 0.000 1.117 283 I CA 1.693 62.994 61.300 0.001 0.000 1.404 283 I CB -0.248 37.803 38.000 0.084 0.000 1.071 283 I HN 0.495 nan 8.210 nan 0.000 0.419 284 Q N 0.858 120.449 119.800 -0.349 0.000 2.297 284 Q HA -0.094 4.246 4.340 0.001 0.000 0.204 284 Q C 2.130 178.213 176.000 0.138 0.000 0.962 284 Q CA 1.207 56.917 55.803 -0.154 0.000 0.879 284 Q CB 0.118 28.468 28.738 -0.648 0.000 0.947 284 Q HN 0.520 nan 8.270 nan 0.000 0.462 285 A N 0.306 123.171 122.820 0.074 0.000 1.935 285 A HA 0.096 4.416 4.320 0.001 0.000 0.214 285 A C 2.266 179.880 177.584 0.050 0.000 1.178 285 A CA 0.998 53.145 52.037 0.183 0.000 0.640 285 A CB -0.787 18.332 19.000 0.198 0.000 0.825 285 A HN 0.485 nan 8.150 nan 0.000 0.447 286 A N 0.682 123.483 122.820 -0.032 0.000 1.958 286 A HA -0.132 4.189 4.320 0.001 0.000 0.221 286 A C -0.017 177.373 177.584 -0.323 0.000 1.178 286 A CA 2.138 54.031 52.037 -0.240 0.000 0.642 286 A CB -1.762 16.766 19.000 -0.786 0.000 0.816 286 A HN 0.457 nan 8.150 nan 0.000 0.453 287 P HA -0.013 nan 4.420 nan 0.000 0.230 287 P C 1.163 178.342 177.300 -0.202 0.000 1.158 287 P CA 1.192 64.210 63.100 -0.138 0.000 0.769 287 P CB -0.012 31.410 31.700 -0.463 0.000 0.807 288 S N -1.428 114.049 115.700 -0.371 0.000 2.515 288 S HA 0.013 4.483 4.470 0.001 0.000 0.231 288 S C 0.342 174.631 174.600 -0.518 0.000 0.987 288 S CA 0.752 58.684 58.200 -0.447 0.000 0.936 288 S CB -0.572 62.209 63.200 -0.699 0.000 0.766 288 S HN 0.086 nan 8.310 nan 0.000 0.528 289 F N 1.289 121.276 119.950 0.062 0.000 2.426 289 F HA 0.347 4.875 4.527 0.001 0.000 0.348 289 F C 1.440 177.181 175.800 -0.098 0.000 1.124 289 F CA -1.675 56.240 58.000 -0.141 0.000 1.008 289 F CB 0.936 39.654 39.000 -0.470 0.000 1.139 289 F HN -0.045 nan 8.300 nan 0.000 0.452 290 S N 1.369 117.093 115.700 0.039 0.000 2.392 290 S HA -0.307 4.163 4.470 0.001 0.000 0.232 290 S C 1.519 176.137 174.600 0.030 0.000 1.041 290 S CA 1.760 59.855 58.200 -0.176 0.000 1.026 290 S CB -0.668 62.201 63.200 -0.551 0.000 0.845 290 S HN 0.757 nan 8.310 nan 0.000 0.465 291 N N 1.291 119.949 118.700 -0.070 0.000 2.575 291 N HA 0.094 4.835 4.740 0.001 0.000 0.192 291 N C 0.875 176.359 175.510 -0.042 0.000 1.200 291 N CA 0.751 53.791 53.050 -0.017 0.000 0.897 291 N CB -0.763 37.699 38.487 -0.042 0.000 0.990 291 N HN 0.405 nan 8.380 nan 0.000 0.449 292 S N -0.540 115.079 115.700 -0.136 0.000 2.489 292 S HA 0.159 4.629 4.470 0.001 0.000 0.228 292 S C -0.399 173.966 174.600 -0.391 0.000 0.995 292 S CA 0.181 58.183 58.200 -0.330 0.000 0.934 292 S CB -0.201 62.621 63.200 -0.629 0.000 0.771 292 S HN 0.365 nan 8.310 nan 0.000 0.522 293 F N 1.610 121.677 119.950 0.194 0.000 2.449 293 F HA 0.358 4.885 4.527 0.001 0.000 0.329 293 F C -1.751 174.084 175.800 0.057 0.000 1.245 293 F CA -2.476 55.614 58.000 0.149 0.000 1.193 293 F CB 1.005 40.034 39.000 0.049 0.000 1.425 293 F HN -0.032 nan 8.300 nan 0.000 0.544 294 P HA -0.241 nan 4.420 nan 0.000 0.216 294 P C 1.155 178.462 177.300 0.012 0.000 1.150 294 P CA 1.574 64.721 63.100 0.078 0.000 0.837 294 P CB 0.259 31.986 31.700 0.046 0.000 0.786 295 Q N -0.474 119.315 119.800 -0.019 0.000 2.291 295 Q HA -0.053 4.288 4.340 0.001 0.000 0.205 295 Q C 2.194 178.053 176.000 -0.236 0.000 0.970 295 Q CA 1.131 56.862 55.803 -0.120 0.000 0.876 295 Q CB -0.875 27.772 28.738 -0.151 0.000 0.935 295 Q HN 0.380 nan 8.270 nan 0.000 0.455 296 I N -1.322 119.061 120.570 -0.312 0.000 2.729 296 I HA 0.010 4.181 4.170 0.001 0.000 0.256 296 I C 1.011 176.726 176.117 -0.670 0.000 1.115 296 I CA 0.609 61.532 61.300 -0.627 0.000 1.446 296 I CB 0.186 37.576 38.000 -1.016 0.000 1.176 296 I HN -0.039 nan 8.210 nan 0.000 0.446 297 F N 0.407 120.311 119.950 -0.077 0.000 2.661 297 F HA 0.369 4.897 4.527 0.001 0.000 0.306 297 F C 1.159 176.937 175.800 -0.037 0.000 1.094 297 F CA -0.384 57.574 58.000 -0.069 0.000 1.254 297 F CB 0.161 39.105 39.000 -0.093 0.000 1.040 297 F HN -0.130 nan 8.300 nan 0.000 0.562 298 R N 0.909 121.461 120.500 0.088 0.000 4.030 298 R HA -0.253 4.088 4.340 0.001 0.000 0.294 298 R C 0.540 176.885 176.300 0.075 0.000 0.243 298 R CA 1.826 57.961 56.100 0.059 0.000 1.002 298 R CB -1.481 28.847 30.300 0.045 0.000 1.009 298 R HN 0.414 nan 8.270 nan 0.000 0.555 299 D N 1.471 121.909 120.400 0.063 0.000 2.431 299 D HA 0.081 4.721 4.640 0.001 0.000 0.213 299 D C -0.212 176.119 176.300 0.052 0.000 1.130 299 D CA -0.102 53.929 54.000 0.053 0.000 0.834 299 D CB 0.179 41.003 40.800 0.039 0.000 0.985 299 D HN 0.220 nan 8.370 nan 0.000 0.504 300 R N 0.848 121.385 120.500 0.063 0.000 2.570 300 R HA 0.178 4.519 4.340 0.001 0.000 0.277 300 R C 1.017 177.317 176.300 0.000 0.000 1.039 300 R CA 0.707 56.831 56.100 0.040 0.000 1.065 300 R CB 0.440 30.769 30.300 0.049 0.000 0.964 300 R HN 0.149 nan 8.270 nan 0.000 0.428 301 T N -2.969 111.588 114.554 0.005 0.000 3.091 301 T HA 0.025 4.375 4.350 0.001 0.000 0.277 301 T C 0.397 175.103 174.700 0.011 0.000 0.996 301 T CA -0.313 61.770 62.100 -0.027 0.000 0.897 301 T CB 0.169 69.093 68.868 0.092 0.000 1.109 301 T HN 0.618 nan 8.240 nan 0.000 0.534 302 D N 0.812 121.220 120.400 0.014 0.000 2.398 302 D HA 0.124 4.764 4.640 0.001 0.000 0.210 302 D C 0.427 176.741 176.300 0.024 0.000 1.094 302 D CA -0.493 53.529 54.000 0.036 0.000 0.839 302 D CB -0.093 40.731 40.800 0.040 0.000 0.963 302 D HN 0.348 nan 8.370 nan 0.000 0.506 303 I N 2.013 122.567 120.570 -0.028 0.000 2.505 303 I HA 0.094 4.265 4.170 0.001 0.000 0.287 303 I C 0.835 177.006 176.117 0.090 0.000 1.104 303 I CA -0.500 60.788 61.300 -0.021 0.000 1.387 303 I CB -0.476 37.352 38.000 -0.286 0.000 1.404 303 I HN 0.007 nan 8.210 nan 0.000 0.528 304 Q N 5.538 125.395 119.800 0.096 0.000 2.349 304 Q HA 0.038 4.378 4.340 0.001 0.000 0.287 304 Q C -0.673 175.305 176.000 -0.037 0.000 1.044 304 Q CA 0.431 56.259 55.803 0.042 0.000 0.918 304 Q CB 0.839 29.589 28.738 0.020 0.000 1.242 304 Q HN 0.778 nan 8.270 nan 0.000 0.405 305 C N 5.455 124.628 119.300 -0.213 0.000 2.417 305 C HA 0.807 5.267 4.460 0.001 0.000 0.324 305 C C -1.545 173.219 174.990 -0.376 0.000 1.240 305 C CA -0.905 57.790 59.018 -0.539 0.000 1.632 305 C CB 0.376 27.749 27.740 -0.612 0.000 2.241 305 C HN 0.891 nan 8.230 nan 0.000 0.499 306 L N 7.174 128.181 121.223 -0.360 0.000 2.356 306 L HA 0.722 5.062 4.340 0.001 0.000 0.277 306 L C -0.897 175.796 176.870 -0.296 0.000 0.996 306 L CA -0.268 54.378 54.840 -0.324 0.000 0.822 306 L CB 1.305 43.145 42.059 -0.364 0.000 1.256 306 L HN 0.678 nan 8.230 nan 0.000 0.413 307 I N 7.174 127.536 120.570 -0.347 0.000 2.359 307 I HA 0.402 4.572 4.170 0.001 0.000 0.284 307 I C -2.281 173.654 176.117 -0.303 0.000 1.018 307 I CA -1.654 59.383 61.300 -0.438 0.000 1.173 307 I CB 1.601 39.130 38.000 -0.783 0.000 1.326 307 I HN 0.482 nan 8.210 nan 0.000 0.462 308 P HA 0.395 nan 4.420 nan 0.000 0.290 308 P C -0.971 176.351 177.300 0.037 0.000 1.276 308 P CA -0.343 62.760 63.100 0.005 0.000 0.808 308 P CB 1.073 32.789 31.700 0.025 0.000 0.966 309 C N 0.141 119.574 119.300 0.221 0.000 3.231 309 C HA 0.841 5.301 4.460 0.001 0.000 0.343 309 C C -0.550 174.505 174.990 0.108 0.000 1.349 309 C CA -1.174 57.926 59.018 0.138 0.000 1.209 309 C CB 0.824 28.637 27.740 0.121 0.000 1.475 309 C HN 0.644 nan 8.230 nan 0.000 0.460 310 A N 0.340 123.179 122.820 0.032 0.000 2.322 310 A HA 0.608 4.928 4.320 0.001 0.000 0.269 310 A C 0.857 178.439 177.584 -0.003 0.000 1.094 310 A CA -0.241 51.726 52.037 -0.117 0.000 0.807 310 A CB 0.083 19.068 19.000 -0.025 0.000 1.047 310 A HN 1.594 nan 8.150 nan 0.000 0.487 311 I N 0.406 120.887 120.570 -0.148 0.000 2.850 311 I HA -0.175 3.995 4.170 0.001 0.000 0.266 311 I C 1.558 177.804 176.117 0.214 0.000 1.257 311 I CA 1.609 62.879 61.300 -0.051 0.000 1.465 311 I CB -0.124 37.839 38.000 -0.063 0.000 1.091 311 I HN 0.857 nan 8.210 nan 0.000 0.467 312 D N -0.109 120.519 120.400 0.380 0.000 2.348 312 D HA -0.213 4.427 4.640 0.001 0.000 0.216 312 D C 1.521 177.922 176.300 0.168 0.000 0.970 312 D CA 0.744 54.972 54.000 0.380 0.000 0.889 312 D CB -0.204 40.854 40.800 0.430 0.000 0.912 312 D HN 0.383 nan 8.370 nan 0.000 0.524 313 Q N 0.236 120.156 119.800 0.199 0.000 2.384 313 Q HA 0.011 4.351 4.340 0.001 0.000 0.207 313 Q C 1.123 177.259 176.000 0.226 0.000 0.904 313 Q CA 0.350 56.302 55.803 0.248 0.000 0.933 313 Q CB 0.118 29.059 28.738 0.339 0.000 1.077 313 Q HN 0.378 nan 8.270 nan 0.000 0.522 314 D N 1.105 121.581 120.400 0.127 0.000 2.158 314 D HA -0.143 4.498 4.640 0.001 0.000 0.197 314 D C -0.997 175.215 176.300 -0.147 0.000 0.995 314 D CA 1.200 55.235 54.000 0.058 0.000 0.846 314 D CB -0.340 40.349 40.800 -0.186 0.000 0.941 314 D HN 0.136 nan 8.370 nan 0.000 0.456 315 P HA -0.176 nan 4.420 nan 0.000 0.216 315 P C 0.800 177.884 177.300 -0.361 0.000 1.154 315 P CA 1.233 64.012 63.100 -0.535 0.000 0.865 315 P CB -0.146 31.135 31.700 -0.697 0.000 0.789 316 Y N -2.324 117.847 120.300 -0.216 0.000 2.181 316 Y HA -0.148 4.402 4.550 0.001 0.000 0.288 316 Y C 2.049 177.711 175.900 -0.396 0.000 1.146 316 Y CA 1.354 59.290 58.100 -0.274 0.000 1.164 316 Y CB -1.183 36.829 38.460 -0.746 0.000 0.982 316 Y HN -0.062 nan 8.280 nan 0.000 0.515 317 F N -0.898 119.186 119.950 0.224 0.000 2.664 317 F HA 0.134 4.662 4.527 0.001 0.000 0.296 317 F C 1.676 177.522 175.800 0.077 0.000 1.125 317 F CA -0.147 57.936 58.000 0.139 0.000 1.444 317 F CB -0.534 38.532 39.000 0.111 0.000 1.114 317 F HN -0.214 nan 8.300 nan 0.000 0.576 321 R N 1.649 122.281 120.500 0.220 0.000 2.096 321 R HA -0.023 4.318 4.340 0.001 0.000 0.235 321 R C 1.405 177.784 176.300 0.133 0.000 1.127 321 R CA 1.723 57.926 56.100 0.173 0.000 0.968 321 R CB -0.161 30.213 30.300 0.123 0.000 0.861 321 R HN 0.339 nan 8.270 nan 0.000 0.440 322 D N -0.213 120.252 120.400 0.110 0.000 2.224 322 D HA -0.070 4.571 4.640 0.001 0.000 0.205 322 D C 1.822 178.161 176.300 0.066 0.000 0.965 322 D CA 0.811 54.854 54.000 0.072 0.000 0.852 322 D CB 0.154 40.988 40.800 0.056 0.000 0.947 322 D HN 0.031 nan 8.370 nan 0.000 0.494 323 V N 1.333 121.315 119.914 0.113 0.000 2.488 323 V HA -0.119 4.001 4.120 0.001 0.000 0.246 323 V C 2.540 178.643 176.094 0.015 0.000 1.046 323 V CA 1.248 63.595 62.300 0.079 0.000 1.053 323 V CB -0.595 31.334 31.823 0.177 0.000 0.679 323 V HN 0.123 nan 8.190 nan 0.000 0.458 324 A N 1.692 124.601 122.820 0.149 0.000 1.894 324 A HA -0.233 4.088 4.320 0.001 0.000 0.220 324 A C 0.798 178.346 177.584 -0.061 0.000 1.237 324 A CA 2.685 54.793 52.037 0.118 0.000 0.660 324 A CB -2.200 17.003 19.000 0.337 0.000 0.835 324 A HN 0.569 nan 8.150 nan 0.000 0.461 325 P HA -0.161 nan 4.420 nan 0.000 0.220 325 P C 1.113 178.309 177.300 -0.174 0.000 1.148 325 P CA 1.333 64.384 63.100 -0.082 0.000 0.803 325 P CB -0.249 31.429 31.700 -0.037 0.000 0.782 326 R N 0.259 120.616 120.500 -0.238 0.000 2.189 326 R HA 0.033 4.373 4.340 0.001 0.000 0.223 326 R C 2.084 178.095 176.300 -0.481 0.000 1.092 326 R CA 1.068 56.936 56.100 -0.387 0.000 0.989 326 R CB -0.568 29.383 30.300 -0.583 0.000 0.876 326 R HN 0.372 nan 8.270 nan 0.000 0.457 327 I N -4.239 116.048 120.570 -0.472 0.000 3.936 327 I HA 0.446 4.617 4.170 0.001 0.000 0.330 327 I C 0.442 176.121 176.117 -0.730 0.000 1.509 327 I CA -0.083 60.881 61.300 -0.559 0.000 1.126 327 I CB 0.856 38.496 38.000 -0.601 0.000 1.115 327 I HN 0.090 nan 8.210 nan 0.000 0.424 328 G N 1.209 109.728 108.800 -0.469 0.000 2.198 328 G HA2 -0.277 3.683 3.960 0.001 0.000 0.257 328 G HA3 -0.277 3.683 3.960 0.001 0.000 0.257 328 G C -0.510 174.245 174.900 -0.240 0.000 1.042 328 G CA 0.241 45.136 45.100 -0.343 0.000 0.791 328 G HN 0.466 nan 8.290 nan 0.000 0.502 329 Y N -0.383 119.819 120.300 -0.164 0.000 2.562 329 Y HA 0.662 5.213 4.550 0.001 0.000 0.343 329 Y C -1.789 174.126 175.900 0.026 0.000 1.025 329 Y CA -3.098 54.938 58.100 -0.106 0.000 1.082 329 Y CB 1.415 39.683 38.460 -0.320 0.000 1.264 329 Y HN 0.007 nan 8.280 nan 0.000 0.478 330 P HA 0.170 nan 4.420 nan 0.000 0.274 330 P C -1.106 176.349 177.300 0.258 0.000 1.237 330 P CA -0.493 62.723 63.100 0.193 0.000 0.793 330 P CB 1.207 32.989 31.700 0.136 0.000 0.977 331 K N 2.486 122.986 120.400 0.168 0.000 2.298 331 K HA 0.286 4.606 4.320 0.001 0.000 0.280 331 K C -1.858 174.788 176.600 0.077 0.000 1.032 331 K CA -1.565 54.818 56.287 0.160 0.000 0.958 331 K CB -0.029 32.531 32.500 0.101 0.000 0.978 331 K HN 0.434 nan 8.250 nan 0.000 0.472 332 P HA 0.090 nan 4.420 nan 0.000 0.279 332 P C -1.075 176.161 177.300 -0.106 0.000 1.239 332 P CA -0.358 62.691 63.100 -0.086 0.000 0.789 332 P CB 1.253 32.864 31.700 -0.148 0.000 0.933 333 A N 3.243 125.960 122.820 -0.171 0.000 2.271 333 A HA 0.650 4.971 4.320 0.001 0.000 0.288 333 A C -0.479 176.970 177.584 -0.226 0.000 1.094 333 A CA -0.413 51.521 52.037 -0.173 0.000 0.828 333 A CB 0.052 18.925 19.000 -0.212 0.000 1.091 333 A HN 0.517 nan 8.150 nan 0.000 0.493 334 L N -0.082 121.010 121.223 -0.218 0.000 2.371 334 L HA 0.598 4.939 4.340 0.001 0.000 0.262 334 L C -0.868 175.797 176.870 -0.342 0.000 1.006 334 L CA 0.017 54.665 54.840 -0.320 0.000 0.818 334 L CB 2.087 43.920 42.059 -0.377 0.000 1.354 334 L HN 0.604 nan 8.230 nan 0.000 0.415 335 L N 1.957 123.005 121.223 -0.292 0.000 2.404 335 L HA 0.481 4.821 4.340 0.001 0.000 0.272 335 L C -1.173 175.740 176.870 0.071 0.000 0.980 335 L CA -0.517 54.268 54.840 -0.092 0.000 0.836 335 L CB 1.534 43.622 42.059 0.049 0.000 1.238 335 L HN 0.639 nan 8.230 nan 0.000 0.408 336 H N 0.713 119.837 119.070 0.090 0.000 2.463 336 H HA 0.545 5.101 4.556 0.001 0.000 0.332 336 H C -0.121 174.927 175.328 -0.466 0.000 1.127 336 H CA -0.580 55.388 56.048 -0.134 0.000 1.238 336 H CB 1.913 31.494 29.762 -0.301 0.000 1.478 336 H HN 0.558 nan 8.280 nan 0.000 0.499 337 S N 1.408 116.703 115.700 -0.675 0.000 2.648 337 S HA 0.432 4.903 4.470 0.001 0.000 0.305 337 S C 0.294 174.540 174.600 -0.590 0.000 1.094 337 S CA -0.806 56.731 58.200 -1.105 0.000 0.983 337 S CB 1.546 63.575 63.200 -1.951 0.000 1.101 337 S HN 0.735 nan 8.310 nan 0.000 0.514 338 T N -0.386 113.772 114.554 -0.661 0.000 2.732 338 T HA 0.540 4.891 4.350 0.001 0.000 0.287 338 T C -0.424 173.942 174.700 -0.557 0.000 0.993 338 T CA -0.457 61.103 62.100 -0.901 0.000 0.966 338 T CB -0.331 67.854 68.868 -1.138 0.000 1.047 338 T HN 0.457 nan 8.240 nan 0.000 0.527 339 F N 0.122 120.123 119.950 0.085 0.000 2.404 339 F HA 0.488 5.016 4.527 0.001 0.000 0.339 339 F C 0.142 176.004 175.800 0.103 0.000 1.105 339 F CA -1.721 56.340 58.000 0.103 0.000 1.087 339 F CB 0.597 39.672 39.000 0.125 0.000 1.143 339 F HN 0.508 nan 8.300 nan 0.000 0.491 340 F N 6.590 126.490 119.950 -0.083 0.000 2.506 340 F HA 0.312 4.840 4.527 0.001 0.000 0.371 340 F C -1.878 173.885 175.800 -0.062 0.000 1.078 340 F CA -2.782 54.969 58.000 -0.415 0.000 1.195 340 F CB 0.115 38.766 39.000 -0.583 0.000 1.099 340 F HN 0.244 nan 8.300 nan 0.000 0.548 341 P HA 0.177 nan 4.420 nan 0.000 0.272 341 P C -1.109 176.175 177.300 -0.028 0.000 1.230 341 P CA -0.432 62.647 63.100 -0.035 0.000 0.788 341 P CB 0.822 32.515 31.700 -0.012 0.000 0.949 342 A N 2.284 125.082 122.820 -0.035 0.000 2.386 342 A HA 0.124 4.445 4.320 0.001 0.000 0.248 342 A C 1.772 179.360 177.584 0.007 0.000 1.082 342 A CA -0.414 51.602 52.037 -0.036 0.000 0.789 342 A CB -0.574 18.386 19.000 -0.067 0.000 1.025 342 A HN 0.639 nan 8.150 nan 0.000 0.490 343 L N 0.207 121.457 121.223 0.045 0.000 2.081 343 L HA -0.272 4.069 4.340 0.001 0.000 0.212 343 L C 2.408 179.307 176.870 0.048 0.000 1.080 343 L CA 1.648 56.528 54.840 0.066 0.000 0.754 343 L CB -0.281 41.834 42.059 0.094 0.000 0.893 343 L HN 0.800 nan 8.230 nan 0.000 0.433 344 Q N -0.426 119.387 119.800 0.020 0.000 2.364 344 Q HA 0.162 4.503 4.340 0.001 0.000 0.207 344 Q C 0.667 176.624 176.000 -0.072 0.000 0.970 344 Q CA 0.774 56.588 55.803 0.019 0.000 0.888 344 Q CB 0.170 28.893 28.738 -0.025 0.000 0.951 344 Q HN 0.509 nan 8.270 nan 0.000 0.469 345 G N -2.047 106.699 108.800 -0.090 0.000 2.353 345 G HA2 0.321 4.281 3.960 0.001 0.000 0.308 345 G HA3 0.321 4.281 3.960 0.001 0.000 0.308 345 G C -0.692 174.134 174.900 -0.123 0.000 1.418 345 G CA -0.509 44.480 45.100 -0.185 0.000 0.966 345 G HN 0.039 nan 8.290 nan 0.000 0.638 346 A N -0.620 122.139 122.820 -0.101 0.000 2.252 346 A HA 0.259 4.579 4.320 0.001 0.000 0.207 346 A C 1.952 179.493 177.584 -0.071 0.000 1.194 346 A CA 1.722 53.728 52.037 -0.051 0.000 0.809 346 A CB -0.220 18.777 19.000 -0.004 0.000 0.814 346 A HN 0.606 nan 8.150 nan 0.000 0.482 347 Q N 0.111 119.844 119.800 -0.112 0.000 2.226 347 Q HA -0.013 4.327 4.340 0.001 0.000 0.204 347 Q C 1.019 176.965 176.000 -0.089 0.000 0.975 347 Q CA 1.533 57.272 55.803 -0.105 0.000 0.866 347 Q CB -0.104 28.559 28.738 -0.125 0.000 0.915 347 Q HN 0.770 nan 8.270 nan 0.000 0.440 348 T N -3.158 111.343 114.554 -0.088 0.000 2.865 348 T HA 0.546 4.897 4.350 0.001 0.000 0.294 348 T C -0.578 174.065 174.700 -0.095 0.000 1.119 348 T CA -1.225 60.817 62.100 -0.095 0.000 1.007 348 T CB 1.942 70.761 68.868 -0.081 0.000 1.225 348 T HN 0.131 nan 8.240 nan 0.000 0.515 352 A N 3.112 126.087 122.820 0.258 0.000 2.070 352 A HA 0.060 4.380 4.320 0.001 0.000 0.220 352 A C 1.966 179.710 177.584 0.267 0.000 1.159 352 A CA 2.098 54.387 52.037 0.420 0.000 0.656 352 A CB -0.683 18.662 19.000 0.575 0.000 0.800 352 A HN 0.922 nan 8.150 nan 0.000 0.453 353 S N 0.296 116.106 115.700 0.183 0.000 2.453 353 S HA -0.018 4.452 4.470 0.001 0.000 0.231 353 S C 0.022 174.675 174.600 0.088 0.000 1.005 353 S CA 0.420 58.698 58.200 0.130 0.000 0.949 353 S CB -0.136 63.138 63.200 0.123 0.000 0.774 353 S HN 0.604 nan 8.310 nan 0.000 0.510 354 D N 1.969 122.409 120.400 0.067 0.000 2.193 354 D HA 0.355 4.995 4.640 0.001 0.000 0.244 354 D C -2.822 173.491 176.300 0.021 0.000 1.064 354 D CA -2.218 51.798 54.000 0.027 0.000 0.845 354 D CB 0.984 41.781 40.800 -0.005 0.000 1.148 354 D HN -0.025 nan 8.370 nan 0.000 0.464 355 P HA 0.021 nan 4.420 nan 0.000 0.264 355 P C 0.224 177.480 177.300 -0.074 0.000 1.193 355 P CA 0.088 63.183 63.100 -0.009 0.000 0.763 355 P CB 0.340 32.032 31.700 -0.013 0.000 0.810 356 N N 0.105 118.744 118.700 -0.102 0.000 2.713 356 N HA -0.213 4.527 4.740 0.001 0.000 0.251 356 N C 1.000 176.382 175.510 -0.214 0.000 1.117 356 N CA 1.358 54.248 53.050 -0.266 0.000 0.770 356 N CB -1.577 36.562 38.487 -0.580 0.000 1.137 356 N HN 0.459 nan 8.380 nan 0.000 0.566 357 S N -1.120 114.501 115.700 -0.132 0.000 2.425 357 S HA 0.114 4.585 4.470 0.001 0.000 0.225 357 S C 0.767 175.256 174.600 -0.184 0.000 1.024 357 S CA 0.647 58.771 58.200 -0.127 0.000 0.951 357 S CB 0.352 63.489 63.200 -0.105 0.000 0.796 357 S HN 0.387 nan 8.310 nan 0.000 0.498 358 S N 0.387 115.908 115.700 -0.299 0.000 2.664 358 S HA 0.647 5.117 4.470 0.001 0.000 0.304 358 S C -0.714 173.570 174.600 -0.527 0.000 1.099 358 S CA -0.740 57.147 58.200 -0.522 0.000 1.003 358 S CB 1.512 64.162 63.200 -0.917 0.000 1.092 358 S HN 0.339 nan 8.310 nan 0.000 0.525 359 I N 2.291 122.592 120.570 -0.449 0.000 2.420 359 I HA 0.339 4.510 4.170 0.001 0.000 0.282 359 I C -1.231 174.707 176.117 -0.298 0.000 1.019 359 I CA -0.353 60.795 61.300 -0.254 0.000 1.130 359 I CB 0.595 38.543 38.000 -0.087 0.000 1.262 359 I HN 0.440 nan 8.210 nan 0.000 0.454 360 F N 5.248 125.235 119.950 0.062 0.000 2.382 360 F HA 0.147 4.675 4.527 0.001 0.000 0.331 360 F C 1.102 176.911 175.800 0.016 0.000 1.121 360 F CA -0.514 57.524 58.000 0.063 0.000 1.183 360 F CB 0.529 39.569 39.000 0.065 0.000 1.207 360 F HN 0.324 nan 8.300 nan 0.000 0.555 361 L N 1.227 122.576 121.223 0.210 0.000 2.549 361 L HA -0.094 4.246 4.340 0.001 0.000 0.229 361 L C 2.094 179.044 176.870 0.133 0.000 1.158 361 L CA 1.447 56.336 54.840 0.081 0.000 0.842 361 L CB -1.636 40.419 42.059 -0.006 0.000 0.952 361 L HN 0.837 nan 8.230 nan 0.000 0.452 362 T N -5.939 108.713 114.554 0.165 0.000 3.040 362 T HA 0.114 4.464 4.350 0.001 0.000 0.250 362 T C 0.649 175.414 174.700 0.108 0.000 1.058 362 T CA -0.525 61.641 62.100 0.110 0.000 0.988 362 T CB -0.128 68.776 68.868 0.059 0.000 0.993 362 T HN 0.012 nan 8.240 nan 0.000 0.519 363 D N 3.833 124.320 120.400 0.146 0.000 2.423 363 D HA 0.201 4.842 4.640 0.001 0.000 0.238 363 D C 0.895 177.242 176.300 0.078 0.000 1.142 363 D CA 0.440 54.514 54.000 0.123 0.000 0.884 363 D CB 1.328 42.210 40.800 0.137 0.000 1.199 363 D HN 0.509 nan 8.370 nan 0.000 0.438 364 T N -1.938 112.656 114.554 0.068 0.000 2.816 364 T HA 0.464 4.815 4.350 0.001 0.000 0.282 364 T C 1.346 176.073 174.700 0.045 0.000 0.993 364 T CA -0.362 61.767 62.100 0.049 0.000 0.994 364 T CB 1.276 70.169 68.868 0.043 0.000 1.025 364 T HN 0.267 nan 8.240 nan 0.000 0.529 365 A N 0.589 123.429 122.820 0.035 0.000 1.908 365 A HA -0.094 4.227 4.320 0.001 0.000 0.218 365 A C 2.342 179.948 177.584 0.036 0.000 1.181 365 A CA 2.031 54.086 52.037 0.030 0.000 0.627 365 A CB -0.970 18.044 19.000 0.023 0.000 0.818 365 A HN 0.976 nan 8.150 nan 0.000 0.445 366 K N -0.503 119.919 120.400 0.037 0.000 2.057 366 K HA -0.185 4.135 4.320 0.001 0.000 0.206 366 K C 2.225 178.857 176.600 0.054 0.000 1.050 366 K CA 1.580 57.891 56.287 0.040 0.000 0.935 366 K CB -0.195 32.326 32.500 0.036 0.000 0.715 366 K HN 0.664 nan 8.250 nan 0.000 0.439 367 Q N 0.335 120.174 119.800 0.064 0.000 2.079 367 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 367 Q C 2.190 178.242 176.000 0.087 0.000 0.974 367 Q CA 1.546 57.400 55.803 0.085 0.000 0.840 367 Q CB -0.115 28.681 28.738 0.097 0.000 0.898 367 Q HN 0.368 nan 8.270 nan 0.000 0.430 368 I N 1.074 121.687 120.570 0.071 0.000 2.127 368 I HA -0.323 3.847 4.170 0.001 0.000 0.241 368 I C 2.592 178.751 176.117 0.069 0.000 1.075 368 I CA 1.311 62.650 61.300 0.065 0.000 1.334 368 I CB -0.341 37.685 38.000 0.042 0.000 1.040 368 I HN 0.183 nan 8.210 nan 0.000 0.405 369 K N 0.654 121.087 120.400 0.056 0.000 2.032 369 K HA -0.208 4.112 4.320 0.001 0.000 0.209 369 K C 2.054 178.683 176.600 0.049 0.000 1.048 369 K CA 2.225 58.541 56.287 0.047 0.000 0.927 369 K CB -0.146 32.376 32.500 0.036 0.000 0.712 369 K HN 0.245 nan 8.250 nan 0.000 0.441 370 T N 1.170 115.758 114.554 0.057 0.000 2.821 370 T HA -0.085 4.266 4.350 0.001 0.000 0.267 370 T C 1.637 176.378 174.700 0.067 0.000 1.046 370 T CA 1.380 63.512 62.100 0.052 0.000 1.139 370 T CB -0.046 68.863 68.868 0.069 0.000 0.871 370 T HN 0.326 nan 8.240 nan 0.000 0.454 371 K N 0.555 121.029 120.400 0.125 0.000 2.025 371 K HA -0.027 4.293 4.320 0.001 0.000 0.207 371 K C 2.362 179.058 176.600 0.159 0.000 1.049 371 K CA 0.926 57.338 56.287 0.207 0.000 0.933 371 K CB -0.443 32.167 32.500 0.185 0.000 0.714 371 K HN 0.144 nan 8.250 nan 0.000 0.438 372 V N 2.400 122.384 119.914 0.116 0.000 2.261 372 V HA -0.270 3.851 4.120 0.001 0.000 0.246 372 V C 1.909 178.029 176.094 0.042 0.000 1.047 372 V CA 1.781 64.139 62.300 0.096 0.000 1.015 372 V CB -0.527 31.351 31.823 0.090 0.000 0.642 372 V HN 0.341 nan 8.190 nan 0.000 0.446 373 N N 0.097 118.807 118.700 0.018 0.000 2.106 373 N HA -0.167 4.574 4.740 0.001 0.000 0.188 373 N C 1.891 177.368 175.510 -0.054 0.000 1.029 373 N CA 1.559 54.599 53.050 -0.016 0.000 0.848 373 N CB -0.254 38.224 38.487 -0.014 0.000 1.007 373 N HN 0.501 nan 8.380 nan 0.000 0.423 374 K N -0.402 119.932 120.400 -0.110 0.000 2.186 374 K HA -0.018 4.303 4.320 0.001 0.000 0.202 374 K C 1.103 177.484 176.600 -0.365 0.000 1.052 374 K CA 0.850 56.976 56.287 -0.269 0.000 0.965 374 K CB 0.226 32.483 32.500 -0.406 0.000 0.746 374 K HN 0.257 nan 8.250 nan 0.000 0.457 375 H N -0.899 118.197 119.070 0.044 0.000 2.788 375 H HA 0.252 4.808 4.556 0.001 0.000 0.262 375 H C 0.033 175.393 175.328 0.053 0.000 0.968 375 H CA 0.331 56.410 56.048 0.051 0.000 1.218 375 H CB 0.286 30.079 29.762 0.051 0.000 1.443 375 H HN 0.106 nan 8.280 nan 0.000 0.478 376 A N 2.443 125.342 122.820 0.131 0.000 2.526 376 A HA 0.015 4.335 4.320 0.001 0.000 0.267 376 A C -0.238 177.379 177.584 0.055 0.000 1.095 376 A CA -0.102 51.964 52.037 0.048 0.000 0.775 376 A CB -1.215 17.767 19.000 -0.030 0.000 1.036 376 A HN 0.262 nan 8.150 nan 0.000 0.510 377 F N 3.869 123.788 119.950 -0.052 0.000 2.608 377 F HA 0.254 4.782 4.527 0.001 0.000 0.380 377 F C 0.885 176.674 175.800 -0.019 0.000 1.083 377 F CA 1.005 58.989 58.000 -0.027 0.000 1.266 377 F CB 0.572 39.552 39.000 -0.034 0.000 1.076 377 F HN 0.477 nan 8.300 nan 0.000 0.574 378 S N 3.848 119.069 115.700 -0.799 0.000 2.489 378 S HA 0.543 5.014 4.470 0.001 0.000 0.291 378 S C 0.773 174.950 174.600 -0.705 0.000 1.151 378 S CA -0.164 57.714 58.200 -0.537 0.000 1.082 378 S CB 1.121 64.162 63.200 -0.264 0.000 1.019 378 S HN 0.968 nan 8.310 nan 0.000 0.492 379 G N 3.044 111.726 108.800 -0.197 0.000 3.189 379 G HA2 0.392 4.353 3.960 0.001 0.000 0.225 379 G HA3 0.392 4.353 3.960 0.001 0.000 0.225 379 G C 0.595 175.485 174.900 -0.017 0.000 1.159 379 G CA -0.011 45.051 45.100 -0.064 0.000 0.763 379 G HN 0.891 nan 8.290 nan 0.000 0.549 380 G N -0.033 108.799 108.800 0.052 0.000 2.616 380 G HA2 0.464 4.424 3.960 0.001 0.000 0.268 380 G HA3 0.464 4.424 3.960 0.001 0.000 0.268 380 G C -0.028 174.925 174.900 0.088 0.000 1.213 380 G CA -0.678 44.498 45.100 0.126 0.000 0.926 380 G HN 0.075 nan 8.290 nan 0.000 0.523 381 R N -0.322 120.308 120.500 0.217 0.000 2.637 381 R HA 0.169 4.510 4.340 0.001 0.000 0.269 381 R C 1.099 177.448 176.300 0.082 0.000 1.089 381 R CA -0.834 55.328 56.100 0.104 0.000 1.177 381 R CB 0.428 30.803 30.300 0.124 0.000 1.091 381 R HN 0.548 nan 8.270 nan 0.000 0.540 382 D N 0.249 120.679 120.400 0.050 0.000 2.144 382 D HA -0.094 4.547 4.640 0.001 0.000 0.199 382 D C 0.519 176.839 176.300 0.034 0.000 0.984 382 D CA 1.606 55.624 54.000 0.031 0.000 0.834 382 D CB 0.196 41.012 40.800 0.027 0.000 0.955 382 D HN 0.599 nan 8.370 nan 0.000 0.465 383 T N -2.452 112.135 114.554 0.055 0.000 2.908 383 T HA 0.396 4.747 4.350 0.001 0.000 0.290 383 T C 1.212 175.946 174.700 0.057 0.000 1.034 383 T CA -0.864 61.261 62.100 0.042 0.000 1.010 383 T CB 2.193 71.084 68.868 0.039 0.000 1.068 383 T HN -0.072 nan 8.240 nan 0.000 0.481 384 I N 0.514 121.099 120.570 0.025 0.000 2.361 384 I HA -0.130 4.040 4.170 0.001 0.000 0.251 384 I C 2.332 178.475 176.117 0.044 0.000 1.133 384 I CA 1.456 62.769 61.300 0.021 0.000 1.413 384 I CB -0.070 37.923 38.000 -0.012 0.000 1.073 384 I HN 0.771 nan 8.210 nan 0.000 0.424 385 E N 0.776 120.991 120.200 0.024 0.000 2.017 385 E HA -0.273 4.078 4.350 0.001 0.000 0.193 385 E C 2.018 178.612 176.600 -0.010 0.000 0.997 385 E CA 1.815 58.215 56.400 0.000 0.000 0.804 385 E CB -0.183 29.516 29.700 -0.002 0.000 0.757 385 E HN 0.643 nan 8.360 nan 0.000 0.448 386 E N -0.262 119.965 120.200 0.045 0.000 2.153 386 E HA -0.196 4.155 4.350 0.001 0.000 0.194 386 E C 2.159 178.809 176.600 0.083 0.000 0.988 386 E CA 0.669 57.130 56.400 0.102 0.000 0.811 386 E CB -0.165 29.664 29.700 0.215 0.000 0.746 386 E HN 0.310 nan 8.360 nan 0.000 0.466 387 H N 0.806 119.869 119.070 -0.011 0.000 2.395 387 H HA 0.018 4.574 4.556 0.001 0.000 0.299 387 H C 1.962 177.234 175.328 -0.093 0.000 1.070 387 H CA 1.049 57.068 56.048 -0.049 0.000 1.356 387 H CB 0.395 30.121 29.762 -0.060 0.000 1.401 387 H HN -0.031 nan 8.280 nan 0.000 0.524 388 R N 0.691 121.208 120.500 0.029 0.000 2.096 388 R HA -0.120 4.221 4.340 0.001 0.000 0.235 388 R C 2.382 178.580 176.300 -0.171 0.000 1.127 388 R CA 1.111 57.186 56.100 -0.041 0.000 0.968 388 R CB -0.641 29.637 30.300 -0.037 0.000 0.861 388 R HN 0.570 nan 8.270 nan 0.000 0.440 389 Q N -0.844 118.780 119.800 -0.294 0.000 2.096 389 Q HA -0.041 4.300 4.340 0.001 0.000 0.197 389 Q C 0.890 176.488 176.000 -0.670 0.000 0.964 389 Q CA 1.223 56.689 55.803 -0.561 0.000 0.838 389 Q CB 0.196 28.418 28.738 -0.860 0.000 0.906 389 Q HN 0.224 nan 8.270 nan 0.000 0.444 390 F N -0.678 119.184 119.950 -0.146 0.000 2.694 390 F HA 0.404 4.932 4.527 0.001 0.000 0.292 390 F C 1.153 176.782 175.800 -0.284 0.000 1.121 390 F CA 0.558 58.451 58.000 -0.179 0.000 1.352 390 F CB 0.439 39.349 39.000 -0.151 0.000 1.107 390 F HN 0.205 nan 8.300 nan 0.000 0.597 391 G N 0.211 108.820 108.800 -0.319 0.000 2.828 391 G HA2 0.133 4.093 3.960 0.001 0.000 0.463 391 G HA3 0.133 4.093 3.960 0.001 0.000 0.463 391 G C 0.111 174.540 174.900 -0.785 0.000 1.394 391 G CA -0.742 43.982 45.100 -0.625 0.000 0.862 391 G HN 0.629 nan 8.290 nan 0.000 0.540 392 G N -0.656 107.587 108.800 -0.929 0.000 2.462 392 G HA2 0.533 4.493 3.960 0.001 0.000 0.319 392 G HA3 0.533 4.493 3.960 0.001 0.000 0.319 392 G C -0.169 174.479 174.900 -0.421 0.000 1.171 392 G CA 0.095 44.681 45.100 -0.857 0.000 0.920 392 G HN 0.895 nan 8.290 nan 0.000 0.499 393 N N 0.401 118.978 118.700 -0.205 0.000 2.546 393 N HA 0.114 4.855 4.740 0.001 0.000 0.238 393 N C 0.976 176.507 175.510 0.035 0.000 0.984 393 N CA -0.645 52.362 53.050 -0.071 0.000 0.935 393 N CB 0.794 39.263 38.487 -0.029 0.000 1.122 393 N HN 0.247 nan 8.380 nan 0.000 0.510 394 C N 1.238 120.523 119.300 -0.025 0.000 2.437 394 C HA 0.016 4.477 4.460 0.001 0.000 0.283 394 C C 1.567 176.609 174.990 0.086 0.000 1.424 394 C CA 0.120 59.097 59.018 -0.069 0.000 1.782 394 C CB -0.451 26.912 27.740 -0.628 0.000 1.833 394 C HN 0.650 nan 8.230 nan 0.000 0.532 395 D N 0.647 121.085 120.400 0.063 0.000 2.347 395 D HA -0.048 4.592 4.640 0.001 0.000 0.215 395 D C 1.895 178.266 176.300 0.118 0.000 0.976 395 D CA 1.165 55.221 54.000 0.093 0.000 0.884 395 D CB 0.061 40.889 40.800 0.047 0.000 0.915 395 D HN 0.564 nan 8.370 nan 0.000 0.526 396 V N -3.130 116.874 119.914 0.149 0.000 3.451 396 V HA 0.180 4.300 4.120 0.001 0.000 0.288 396 V C 0.362 176.628 176.094 0.288 0.000 1.502 396 V CA -0.454 61.971 62.300 0.210 0.000 1.026 396 V CB 0.703 32.685 31.823 0.266 0.000 0.840 396 V HN -0.185 nan 8.190 nan 0.000 0.437 397 D N 1.143 121.673 120.400 0.217 0.000 2.338 397 D HA 0.192 4.832 4.640 0.001 0.000 0.255 397 D C 1.227 177.581 176.300 0.091 0.000 1.237 397 D CA 0.254 54.352 54.000 0.165 0.000 0.883 397 D CB 2.149 43.077 40.800 0.212 0.000 1.087 397 D HN 0.120 nan 8.370 nan 0.000 0.485 398 V N 3.718 123.629 119.914 -0.005 0.000 2.332 398 V HA -0.243 3.877 4.120 0.001 0.000 0.248 398 V C 2.471 178.234 176.094 -0.551 0.000 1.055 398 V CA 1.494 63.608 62.300 -0.310 0.000 1.038 398 V CB -0.342 31.262 31.823 -0.366 0.000 0.651 398 V HN 0.539 nan 8.190 nan 0.000 0.450 399 S N -0.989 114.523 115.700 -0.314 0.000 2.368 399 S HA -0.077 4.394 4.470 0.001 0.000 0.225 399 S C 0.821 175.381 174.600 -0.066 0.000 1.030 399 S CA 0.937 59.011 58.200 -0.209 0.000 0.999 399 S CB -0.309 62.817 63.200 -0.122 0.000 0.844 399 S HN 0.501 nan 8.310 nan 0.000 0.459 403 L N 0.989 122.332 121.223 0.201 0.000 2.083 403 L HA -0.167 4.173 4.340 0.001 0.000 0.209 403 L C 2.377 179.225 176.870 -0.037 0.000 1.083 403 L CA 2.338 57.211 54.840 0.054 0.000 0.752 403 L CB -0.672 41.300 42.059 -0.144 0.000 0.899 403 L HN 0.416 nan 8.230 nan 0.000 0.433 404 T N -3.062 111.363 114.554 -0.214 0.000 2.929 404 T HA -0.173 4.178 4.350 0.001 0.000 0.271 404 T C 1.506 176.134 174.700 -0.120 0.000 1.085 404 T CA 1.088 63.042 62.100 -0.242 0.000 1.125 404 T CB -0.438 68.215 68.868 -0.359 0.000 0.874 404 T HN 0.163 nan 8.240 nan 0.000 0.494 405 F N -0.066 119.875 119.950 -0.016 0.000 2.262 405 F HA 0.358 4.886 4.527 0.001 0.000 0.292 405 F C 1.592 177.270 175.800 -0.204 0.000 1.081 405 F CA 0.378 58.303 58.000 -0.126 0.000 1.355 405 F CB 0.036 38.837 39.000 -0.330 0.000 1.069 405 F HN 0.127 nan 8.300 nan 0.000 0.506 406 F N -1.340 118.882 119.950 0.454 0.000 2.724 406 F HA 0.264 4.792 4.527 0.001 0.000 0.306 406 F C 0.379 176.220 175.800 0.067 0.000 1.100 406 F CA -0.386 57.776 58.000 0.271 0.000 1.255 406 F CB -0.037 39.095 39.000 0.220 0.000 1.072 406 F HN -0.309 nan 8.300 nan 0.000 0.589 407 L N 1.558 122.875 121.223 0.156 0.000 2.363 407 L HA 0.209 4.550 4.340 0.001 0.000 0.286 407 L C 1.186 177.982 176.870 -0.124 0.000 1.106 407 L CA 0.220 55.077 54.840 0.029 0.000 0.859 407 L CB 0.018 42.090 42.059 0.023 0.000 1.223 407 L HN 0.143 nan 8.230 nan 0.000 0.446 408 E N 1.714 121.783 120.200 -0.219 0.000 2.204 408 E HA -0.139 4.211 4.350 0.001 0.000 0.194 408 E C 0.104 176.560 176.600 -0.240 0.000 0.989 408 E CA 0.600 56.753 56.400 -0.413 0.000 0.824 408 E CB 0.178 29.638 29.700 -0.400 0.000 0.756 408 E HN 0.674 nan 8.360 nan 0.000 0.477 409 D N 0.880 121.205 120.400 -0.126 0.000 2.336 409 D HA -0.036 4.605 4.640 0.001 0.000 0.249 409 D C -0.108 176.163 176.300 -0.049 0.000 1.213 409 D CA -0.120 53.836 54.000 -0.074 0.000 0.870 409 D CB 0.972 41.749 40.800 -0.039 0.000 1.076 409 D HN -0.082 nan 8.370 nan 0.000 0.483 410 D N 2.669 123.043 120.400 -0.044 0.000 2.104 410 D HA -0.166 4.474 4.640 0.001 0.000 0.194 410 D C 1.267 177.574 176.300 0.011 0.000 0.994 410 D CA 1.037 55.029 54.000 -0.015 0.000 0.830 410 D CB 0.210 41.003 40.800 -0.011 0.000 0.959 410 D HN 0.495 nan 8.370 nan 0.000 0.452 411 D N 0.194 120.599 120.400 0.009 0.000 2.123 411 D HA -0.158 4.483 4.640 0.001 0.000 0.196 411 D C 1.854 178.173 176.300 0.033 0.000 0.992 411 D CA 0.842 54.854 54.000 0.021 0.000 0.833 411 D CB -0.159 40.649 40.800 0.014 0.000 0.954 411 D HN 0.231 nan 8.370 nan 0.000 0.455 412 K N 0.327 120.743 120.400 0.026 0.000 2.097 412 K HA -0.134 4.186 4.320 0.001 0.000 0.205 412 K C 2.188 178.827 176.600 0.066 0.000 1.050 412 K CA 0.468 56.778 56.287 0.038 0.000 0.938 412 K CB -0.147 32.368 32.500 0.024 0.000 0.718 412 K HN -0.018 nan 8.250 nan 0.000 0.442 413 L N 1.752 123.012 121.223 0.060 0.000 2.042 413 L HA -0.178 4.163 4.340 0.001 0.000 0.210 413 L C 2.163 179.144 176.870 0.186 0.000 1.076 413 L CA 1.968 56.870 54.840 0.103 0.000 0.749 413 L CB -0.541 41.544 42.059 0.044 0.000 0.893 413 L HN 0.206 nan 8.230 nan 0.000 0.432 414 E N -0.712 119.564 120.200 0.126 0.000 2.106 414 E HA -0.258 4.093 4.350 0.001 0.000 0.192 414 E C 2.155 178.814 176.600 0.100 0.000 0.984 414 E CA 1.341 57.812 56.400 0.118 0.000 0.806 414 E CB -0.414 29.330 29.700 0.073 0.000 0.750 414 E HN 0.612 nan 8.360 nan 0.000 0.458 415 Q N 0.429 120.280 119.800 0.085 0.000 2.084 415 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 415 Q C 2.287 178.342 176.000 0.091 0.000 0.978 415 Q CA 1.565 57.410 55.803 0.071 0.000 0.844 415 Q CB -0.283 28.489 28.738 0.056 0.000 0.898 415 Q HN 0.458 nan 8.270 nan 0.000 0.426 416 I N 0.490 121.137 120.570 0.128 0.000 2.226 416 I HA -0.267 3.904 4.170 0.001 0.000 0.245 416 I C 2.900 179.109 176.117 0.153 0.000 1.100 416 I CA 1.170 62.564 61.300 0.157 0.000 1.374 416 I CB -0.389 37.733 38.000 0.204 0.000 1.057 416 I HN 0.209 nan 8.210 nan 0.000 0.413 417 R N 1.431 122.025 120.500 0.157 0.000 2.073 417 R HA -0.193 4.147 4.340 0.001 0.000 0.234 417 R C 2.297 178.566 176.300 -0.053 0.000 1.134 417 R CA 1.622 57.667 56.100 -0.092 0.000 0.952 417 R CB -0.048 30.226 30.300 -0.043 0.000 0.850 417 R HN 0.294 nan 8.270 nan 0.000 0.433 418 K N 0.037 120.443 120.400 0.010 0.000 2.026 418 K HA -0.133 4.187 4.320 0.001 0.000 0.208 418 K C 1.761 178.372 176.600 0.018 0.000 1.048 418 K CA 1.633 57.922 56.287 0.004 0.000 0.929 418 K CB -0.136 32.374 32.500 0.016 0.000 0.713 418 K HN 0.249 nan 8.250 nan 0.000 0.439 419 D N -0.013 120.421 120.400 0.056 0.000 2.144 419 D HA -0.166 4.474 4.640 0.001 0.000 0.199 419 D C 1.803 178.178 176.300 0.125 0.000 0.984 419 D CA 1.044 55.090 54.000 0.077 0.000 0.834 419 D CB -0.220 40.635 40.800 0.091 0.000 0.955 419 D HN 0.152 nan 8.370 nan 0.000 0.465 420 Y N 1.707 122.002 120.300 -0.008 0.000 2.200 420 Y HA -0.160 4.390 4.550 0.001 0.000 0.290 420 Y C 2.349 178.215 175.900 -0.057 0.000 1.137 420 Y CA 1.346 59.453 58.100 0.011 0.000 1.163 420 Y CB -0.485 37.957 38.460 -0.030 0.000 0.988 420 Y HN -0.117 nan 8.280 nan 0.000 0.518 421 T N -0.760 113.749 114.554 -0.076 0.000 2.833 421 T HA -0.159 4.191 4.350 0.001 0.000 0.269 421 T C 2.028 176.622 174.700 -0.176 0.000 1.054 421 T CA 1.658 63.652 62.100 -0.177 0.000 1.135 421 T CB -0.462 68.334 68.868 -0.121 0.000 0.869 421 T HN 0.528 nan 8.240 nan 0.000 0.466 422 S N 0.043 115.677 115.700 -0.111 0.000 2.501 422 S HA 0.344 4.814 4.470 0.001 0.000 0.220 422 S C 1.890 176.415 174.600 -0.125 0.000 0.997 422 S CA 0.739 58.881 58.200 -0.097 0.000 0.919 422 S CB -0.063 63.108 63.200 -0.048 0.000 0.778 422 S HN 0.679 nan 8.310 nan 0.000 0.523 423 G N 0.733 109.446 108.800 -0.144 0.000 2.176 423 G HA2 -0.090 3.870 3.960 0.001 0.000 0.232 423 G HA3 -0.090 3.870 3.960 0.001 0.000 0.232 423 G C 0.405 175.354 174.900 0.082 0.000 0.986 423 G CA 0.039 45.081 45.100 -0.097 0.000 0.643 423 G HN 1.174 nan 8.290 nan 0.000 0.522 427 T N 0.301 114.839 114.554 -0.027 0.000 2.699 427 T HA -0.168 4.182 4.350 0.001 0.000 0.268 427 T C 1.626 176.309 174.700 -0.028 0.000 1.036 427 T CA 2.264 64.401 62.100 0.062 0.000 1.147 427 T CB -0.221 68.662 68.868 0.024 0.000 0.862 427 T HN 0.905 nan 8.240 nan 0.000 0.446 428 G N 1.079 109.855 108.800 -0.040 0.000 2.442 428 G HA2 -0.216 3.745 3.960 0.001 0.000 0.219 428 G HA3 -0.216 3.745 3.960 0.001 0.000 0.219 428 G C 1.454 176.341 174.900 -0.022 0.000 1.141 428 G CA 0.833 45.914 45.100 -0.032 0.000 0.763 428 G HN 0.541 nan 8.290 nan 0.000 0.554 429 E N -0.395 119.797 120.200 -0.013 0.000 2.072 429 E HA -0.045 4.306 4.350 0.001 0.000 0.190 429 E C 2.357 178.950 176.600 -0.013 0.000 0.982 429 E CA 0.597 56.997 56.400 -0.001 0.000 0.803 429 E CB -0.163 29.549 29.700 0.020 0.000 0.755 429 E HN 0.344 nan 8.360 nan 0.000 0.453 430 L N 1.823 123.016 121.223 -0.050 0.000 2.017 430 L HA -0.193 4.148 4.340 0.001 0.000 0.208 430 L C 1.836 178.664 176.870 -0.071 0.000 1.073 430 L CA 1.902 56.671 54.840 -0.117 0.000 0.745 430 L CB -0.150 41.682 42.059 -0.379 0.000 0.894 430 L HN -0.105 nan 8.230 nan 0.000 0.432 431 K N -0.555 119.807 120.400 -0.062 0.000 2.147 431 K HA -0.219 4.102 4.320 0.001 0.000 0.205 431 K C 2.194 178.796 176.600 0.004 0.000 1.049 431 K CA 1.470 57.742 56.287 -0.025 0.000 0.936 431 K CB -0.141 32.344 32.500 -0.025 0.000 0.722 431 K HN 0.295 nan 8.250 nan 0.000 0.446 432 K N 0.938 121.338 120.400 0.000 0.000 2.097 432 K HA -0.096 4.225 4.320 0.001 0.000 0.205 432 K C 2.059 178.671 176.600 0.020 0.000 1.050 432 K CA 1.076 57.369 56.287 0.011 0.000 0.938 432 K CB -0.030 32.474 32.500 0.007 0.000 0.718 432 K HN 0.114 nan 8.250 nan 0.000 0.442 433 A N 1.054 123.885 122.820 0.019 0.000 1.902 433 A HA -0.148 4.172 4.320 0.001 0.000 0.217 433 A C 2.017 179.629 177.584 0.046 0.000 1.181 433 A CA 1.350 53.406 52.037 0.030 0.000 0.623 433 A CB -0.641 18.377 19.000 0.031 0.000 0.818 433 A HN 0.372 nan 8.150 nan 0.000 0.443 434 L N 0.108 121.364 121.223 0.054 0.000 2.017 434 L HA -0.111 4.230 4.340 0.001 0.000 0.208 434 L C 2.205 179.127 176.870 0.087 0.000 1.073 434 L CA 1.780 56.677 54.840 0.095 0.000 0.745 434 L CB -0.515 41.615 42.059 0.119 0.000 0.894 434 L HN 0.434 nan 8.230 nan 0.000 0.432 435 I N -0.311 120.297 120.570 0.063 0.000 2.264 435 I HA -0.307 3.864 4.170 0.001 0.000 0.248 435 I C 2.237 178.376 176.117 0.037 0.000 1.111 435 I CA 1.550 62.880 61.300 0.051 0.000 1.382 435 I CB -0.412 37.612 38.000 0.039 0.000 1.060 435 I HN 0.387 nan 8.210 nan 0.000 0.418 436 E N -0.021 120.200 120.200 0.035 0.000 2.338 436 E HA -0.121 4.229 4.350 0.001 0.000 0.197 436 E C 2.150 178.767 176.600 0.028 0.000 1.007 436 E CA 0.785 57.202 56.400 0.027 0.000 0.849 436 E CB 0.140 29.855 29.700 0.025 0.000 0.774 436 E HN 0.371 nan 8.360 nan 0.000 0.506 437 V N 0.836 120.775 119.914 0.041 0.000 2.492 437 V HA -0.127 3.994 4.120 0.001 0.000 0.241 437 V C 2.128 178.222 176.094 0.000 0.000 1.041 437 V CA 0.866 63.192 62.300 0.044 0.000 1.057 437 V CB -0.193 31.688 31.823 0.096 0.000 0.711 437 V HN 0.224 nan 8.190 nan 0.000 0.468 438 L N -0.313 120.905 121.223 -0.008 0.000 2.056 438 L HA -0.217 4.123 4.340 0.001 0.000 0.207 438 L C 2.680 179.511 176.870 -0.066 0.000 1.078 438 L CA 1.608 56.398 54.840 -0.083 0.000 0.749 438 L CB -0.635 41.400 42.059 -0.041 0.000 0.901 438 L HN 0.392 nan 8.230 nan 0.000 0.433 439 Q N 0.005 119.793 119.800 -0.019 0.000 2.030 439 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 439 Q C -0.437 175.556 176.000 -0.011 0.000 0.986 439 Q CA 1.907 57.706 55.803 -0.008 0.000 0.843 439 Q CB -1.094 27.649 28.738 0.008 0.000 0.904 439 Q HN 0.459 nan 8.270 nan 0.000 0.420 440 P HA -0.164 nan 4.420 nan 0.000 0.219 440 P C 1.500 178.794 177.300 -0.010 0.000 1.150 440 P CA 0.958 64.056 63.100 -0.003 0.000 0.814 440 P CB -0.019 31.683 31.700 0.003 0.000 0.787 441 L N 0.056 121.255 121.223 -0.040 0.000 1.970 441 L HA -0.154 4.186 4.340 0.001 0.000 0.212 441 L C 2.554 179.395 176.870 -0.048 0.000 1.071 441 L CA 1.966 56.764 54.840 -0.071 0.000 0.751 441 L CB -1.260 40.675 42.059 -0.207 0.000 0.889 441 L HN -0.200 nan 8.230 nan 0.000 0.432 442 I N -0.550 119.981 120.570 -0.066 0.000 2.286 442 I HA -0.213 3.958 4.170 0.001 0.000 0.245 442 I C 2.598 178.744 176.117 0.048 0.000 1.104 442 I CA 0.975 62.265 61.300 -0.017 0.000 1.397 442 I CB -0.670 37.306 38.000 -0.039 0.000 1.072 442 I HN 0.387 nan 8.210 nan 0.000 0.417 443 A N 0.742 123.576 122.820 0.024 0.000 1.902 443 A HA -0.226 4.095 4.320 0.001 0.000 0.217 443 A C 2.185 179.786 177.584 0.030 0.000 1.181 443 A CA 1.708 53.761 52.037 0.027 0.000 0.623 443 A CB -0.563 18.446 19.000 0.015 0.000 0.818 443 A HN 0.458 nan 8.150 nan 0.000 0.443 444 E N -1.646 118.573 120.200 0.032 0.000 2.150 444 E HA -0.198 4.152 4.350 0.001 0.000 0.193 444 E C 1.900 178.519 176.600 0.033 0.000 0.985 444 E CA 1.191 57.607 56.400 0.027 0.000 0.814 444 E CB -0.252 29.464 29.700 0.028 0.000 0.752 444 E HN 0.881 nan 8.360 nan 0.000 0.466 445 H N 1.396 120.450 119.070 -0.027 0.000 2.299 445 H HA -0.077 4.480 4.556 0.001 0.000 0.302 445 H C 2.025 177.336 175.328 -0.029 0.000 1.078 445 H CA 1.965 57.995 56.048 -0.031 0.000 1.323 445 H CB 0.148 29.888 29.762 -0.037 0.000 1.381 445 H HN 0.067 nan 8.280 nan 0.000 0.498 446 Q N -0.187 119.623 119.800 0.017 0.000 2.135 446 Q HA -0.147 4.194 4.340 0.001 0.000 0.204 446 Q C 2.546 178.503 176.000 -0.071 0.000 0.981 446 Q CA 1.190 56.974 55.803 -0.031 0.000 0.856 446 Q CB -0.167 28.587 28.738 0.028 0.000 0.902 446 Q HN 0.599 nan 8.270 nan 0.000 0.425 447 A N 1.496 124.287 122.820 -0.049 0.000 1.902 447 A HA -0.206 4.114 4.320 0.001 0.000 0.217 447 A C 2.046 179.586 177.584 -0.073 0.000 1.181 447 A CA 1.408 53.418 52.037 -0.045 0.000 0.623 447 A CB -0.377 18.608 19.000 -0.024 0.000 0.818 447 A HN 0.209 nan 8.150 nan 0.000 0.443 448 R N -1.273 119.159 120.500 -0.113 0.000 2.090 448 R HA -0.026 4.314 4.340 0.001 0.000 0.228 448 R C 2.474 178.671 176.300 -0.172 0.000 1.110 448 R CA 1.157 57.178 56.100 -0.132 0.000 0.973 448 R CB -0.264 29.948 30.300 -0.147 0.000 0.869 448 R HN 0.539 nan 8.270 nan 0.000 0.440 449 R N 1.421 121.766 120.500 -0.257 0.000 2.148 449 R HA -0.123 4.217 4.340 0.001 0.000 0.227 449 R C 1.926 178.151 176.300 -0.125 0.000 1.103 449 R CA 1.368 57.330 56.100 -0.231 0.000 0.983 449 R CB 0.031 30.172 30.300 -0.266 0.000 0.874 449 R HN 0.007 nan 8.270 nan 0.000 0.451 450 K N 0.163 120.505 120.400 -0.096 0.000 2.283 450 K HA -0.091 4.230 4.320 0.001 0.000 0.202 450 K C 1.037 177.610 176.600 -0.045 0.000 1.048 450 K CA 1.077 57.330 56.287 -0.057 0.000 0.948 450 K CB 0.290 32.765 32.500 -0.042 0.000 0.742 450 K HN 0.101 nan 8.250 nan 0.000 0.458 451 E N 0.332 120.502 120.200 -0.050 0.000 2.489 451 E HA 0.002 4.352 4.350 0.001 0.000 0.193 451 E C -0.437 176.151 176.600 -0.021 0.000 1.057 451 E CA 0.171 56.553 56.400 -0.029 0.000 0.866 451 E CB 0.550 30.235 29.700 -0.024 0.000 0.916 451 E HN -0.009 nan 8.360 nan 0.000 0.500 452 V N 3.287 123.179 119.914 -0.038 0.000 2.356 452 V HA 0.049 4.169 4.120 0.001 0.000 0.258 452 V C 0.805 176.892 176.094 -0.012 0.000 1.065 452 V CA -0.218 62.066 62.300 -0.026 0.000 0.935 452 V CB 0.250 32.032 31.823 -0.069 0.000 1.061 452 V HN 0.147 nan 8.190 nan 0.000 0.484 453 T N 0.385 114.947 114.554 0.013 0.000 2.849 453 T HA 0.181 4.531 4.350 0.001 0.000 0.284 453 T C 0.906 175.620 174.700 0.024 0.000 1.004 453 T CA -0.668 61.442 62.100 0.015 0.000 1.021 453 T CB 1.136 70.017 68.868 0.022 0.000 1.013 453 T HN 0.542 nan 8.240 nan 0.000 0.527 454 D N 0.658 121.069 120.400 0.019 0.000 2.221 454 D HA -0.092 4.549 4.640 0.001 0.000 0.204 454 D C 1.738 178.064 176.300 0.044 0.000 0.982 454 D CA 1.247 55.261 54.000 0.025 0.000 0.857 454 D CB 0.064 40.877 40.800 0.021 0.000 0.934 454 D HN 0.686 nan 8.370 nan 0.000 0.475 455 E N 0.278 120.505 120.200 0.045 0.000 2.152 455 E HA -0.001 4.350 4.350 0.001 0.000 0.192 455 E C 2.228 178.875 176.600 0.077 0.000 0.983 455 E CA 0.212 56.644 56.400 0.052 0.000 0.818 455 E CB 0.002 29.725 29.700 0.038 0.000 0.758 455 E HN 0.324 nan 8.360 nan 0.000 0.467 456 I N -0.206 120.422 120.570 0.096 0.000 2.286 456 I HA -0.211 3.959 4.170 0.001 0.000 0.245 456 I C 1.957 178.234 176.117 0.266 0.000 1.104 456 I CA 0.565 61.969 61.300 0.174 0.000 1.397 456 I CB -0.103 38.006 38.000 0.180 0.000 1.072 456 I HN 0.004 nan 8.210 nan 0.000 0.417 457 V N 1.172 121.180 119.914 0.157 0.000 2.295 457 V HA -0.327 3.793 4.120 0.001 0.000 0.246 457 V C 2.531 178.718 176.094 0.156 0.000 1.049 457 V CA 2.001 64.375 62.300 0.124 0.000 1.024 457 V CB -0.705 31.132 31.823 0.023 0.000 0.648 457 V HN 0.426 nan 8.190 nan 0.000 0.447 458 K N -0.099 120.374 120.400 0.121 0.000 2.147 458 K HA -0.250 4.070 4.320 0.001 0.000 0.205 458 K C 2.205 178.885 176.600 0.134 0.000 1.049 458 K CA 1.920 58.279 56.287 0.119 0.000 0.936 458 K CB -0.086 32.468 32.500 0.091 0.000 0.722 458 K HN 0.593 nan 8.250 nan 0.000 0.446 459 E N -0.425 119.849 120.200 0.124 0.000 2.072 459 E HA -0.087 4.263 4.350 0.001 0.000 0.190 459 E C 0.216 176.864 176.600 0.080 0.000 0.982 459 E CA 0.291 56.730 56.400 0.066 0.000 0.803 459 E CB 0.010 29.707 29.700 -0.004 0.000 0.755 459 E HN 0.109 nan 8.360 nan 0.000 0.453 463 P HA 0.368 nan 4.420 nan 0.000 0.271 463 P C -0.546 176.580 177.300 -0.290 0.000 1.220 463 P CA -0.193 62.646 63.100 -0.435 0.000 0.768 463 P CB 0.496 32.106 31.700 -0.150 0.000 0.848 464 R N 1.481 121.736 120.500 -0.410 0.000 2.728 464 R HA 0.332 4.672 4.340 0.001 0.000 0.274 464 R C -1.181 174.938 176.300 -0.302 0.000 1.032 464 R CA -0.971 54.974 56.100 -0.258 0.000 0.866 464 R CB 0.566 30.767 30.300 -0.166 0.000 1.263 464 R HN 0.328 nan 8.270 nan 0.000 0.475 465 K N 1.281 121.544 120.400 -0.228 0.000 2.414 465 K HA 0.203 4.524 4.320 0.001 0.000 0.272 465 K C -0.603 175.857 176.600 -0.232 0.000 0.993 465 K CA -0.071 56.074 56.287 -0.238 0.000 0.964 465 K CB 0.415 32.816 32.500 -0.165 0.000 0.925 465 K HN 0.485 nan 8.250 nan 0.000 0.487 466 L N 3.966 125.034 121.223 -0.258 0.000 2.305 466 L HA 0.359 4.700 4.340 0.001 0.000 0.284 466 L C 0.483 177.263 176.870 -0.149 0.000 1.013 466 L CA -0.903 53.814 54.840 -0.205 0.000 0.819 466 L CB 1.579 43.499 42.059 -0.232 0.000 1.227 466 L HN 0.837 nan 8.230 nan 0.000 0.417 467 A N 0.000 122.752 122.820 -0.113 0.000 2.254 467 A HA 0.000 4.320 4.320 0.001 0.000 0.244 467 A CA 0.000 51.989 52.037 -0.081 0.000 0.836 467 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 467 A HN 0.000 nan 8.150 nan 0.000 0.486