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 3fa3_1_J DATA FIRST_RESID 3 DATA SEQUENCE MVTAATSLRR ALENPDSFIV APGVYDGLSA RVALSAGFDA LYMTGAGTAA DATA SEQUENCE SVHGQADLGI CTLNDMRANA EMISNISPST PVIADADTGY GGPIMVARTT DATA SEQUENCE EQYSRSGVAA FHIEDQVQTX XXXXXXXKIL VDTDTYVTRI RAAVQARQRI DATA SEQUENCE GSDIVVIART DSLQTHGYEE SVARLRAARD AGADVGFLEG ITSREMARQV DATA SEQUENCE IQDLAGWPLL LNMVEHGATP SISAAEAKEM GFRIIIFPFA ALGPAVAAMR DATA SEQUENCE EAMEKLKRDG IPGLDKEMTP QMLFRVCGLD ESMKVDAQAG GAAFDGGVDL 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.308 176.300 0.014 0.000 1.140 3 M CA 0.000 55.306 55.300 0.011 0.000 0.988 3 M CB 0.000 32.606 32.600 0.011 0.000 1.302 4 V N 1.149 121.072 119.914 0.015 0.000 3.077 4 V HA 0.803 4.923 4.120 -0.000 0.000 0.299 4 V C -1.197 174.909 176.094 0.019 0.000 1.276 4 V CA -0.051 62.260 62.300 0.018 0.000 0.993 4 V CB 2.538 34.371 31.823 0.017 0.000 1.076 4 V HN 0.943 nan 8.190 nan 0.000 0.434 5 T N 3.521 118.090 114.554 0.025 0.000 2.936 5 T HA 0.694 5.044 4.350 -0.000 0.000 0.282 5 T C 1.079 175.795 174.700 0.027 0.000 1.003 5 T CA 0.275 62.391 62.100 0.027 0.000 1.005 5 T CB 1.688 70.579 68.868 0.038 0.000 1.097 5 T HN 1.474 nan 8.240 nan 0.000 0.532 6 A N 1.047 123.883 122.820 0.027 0.000 2.206 6 A HA 0.417 4.737 4.320 -0.000 0.000 0.211 6 A C 2.299 179.903 177.584 0.034 0.000 1.158 6 A CA 1.200 53.253 52.037 0.027 0.000 0.761 6 A CB -0.935 18.078 19.000 0.023 0.000 0.801 6 A HN 1.003 nan 8.150 nan 0.000 0.473 7 A N -0.503 122.343 122.820 0.042 0.000 2.014 7 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 7 A C 2.191 179.800 177.584 0.042 0.000 1.163 7 A CA 1.952 54.019 52.037 0.051 0.000 0.652 7 A CB -0.843 18.201 19.000 0.073 0.000 0.808 7 A HN 0.422 nan 8.150 nan 0.000 0.449 8 T N 0.141 114.717 114.554 0.037 0.000 2.588 8 T HA -0.145 4.205 4.350 -0.000 0.000 0.261 8 T C 2.153 176.870 174.700 0.028 0.000 1.069 8 T CA 1.618 63.737 62.100 0.032 0.000 1.172 8 T CB -0.696 68.189 68.868 0.029 0.000 0.863 8 T HN 0.454 nan 8.240 nan 0.000 0.408 9 S N 1.504 117.220 115.700 0.026 0.000 2.425 9 S HA -0.219 4.251 4.470 -0.000 0.000 0.256 9 S C 1.935 176.549 174.600 0.024 0.000 1.101 9 S CA 1.708 59.923 58.200 0.025 0.000 1.188 9 S CB -0.875 62.340 63.200 0.025 0.000 1.085 9 S HN 0.269 nan 8.310 nan 0.000 0.439 10 L N 1.361 122.598 121.223 0.024 0.000 2.046 10 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 10 L C 2.422 179.301 176.870 0.015 0.000 1.077 10 L CA 1.906 56.757 54.840 0.018 0.000 0.747 10 L CB -0.533 41.537 42.059 0.019 0.000 0.896 10 L HN 0.197 nan 8.230 nan 0.000 0.432 11 R N -0.938 119.575 120.500 0.022 0.000 2.073 11 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 11 R C 2.357 178.671 176.300 0.025 0.000 1.134 11 R CA 1.649 57.763 56.100 0.024 0.000 0.952 11 R CB -0.117 30.201 30.300 0.030 0.000 0.850 11 R HN 0.202 nan 8.270 nan 0.000 0.433 12 R N -0.435 120.080 120.500 0.025 0.000 2.148 12 R HA 0.019 4.359 4.340 -0.000 0.000 0.227 12 R C 2.057 178.372 176.300 0.026 0.000 1.103 12 R CA 1.320 57.435 56.100 0.026 0.000 0.983 12 R CB -0.167 30.147 30.300 0.025 0.000 0.874 12 R HN 0.305 nan 8.270 nan 0.000 0.451 13 A N 0.400 123.234 122.820 0.023 0.000 1.878 13 A HA -0.012 4.308 4.320 -0.000 0.000 0.213 13 A C 2.033 179.630 177.584 0.022 0.000 1.192 13 A CA 0.657 52.709 52.037 0.024 0.000 0.619 13 A CB -0.499 18.515 19.000 0.023 0.000 0.837 13 A HN 0.182 nan 8.150 nan 0.000 0.446 14 L N -0.055 121.174 121.223 0.010 0.000 2.089 14 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 14 L C 2.353 179.236 176.870 0.021 0.000 1.079 14 L CA 1.801 56.643 54.840 0.003 0.000 0.758 14 L CB -0.518 41.536 42.059 -0.009 0.000 0.891 14 L HN 0.488 nan 8.230 nan 0.000 0.433 15 E N -0.505 119.712 120.200 0.029 0.000 2.455 15 E HA -0.174 4.176 4.350 -0.000 0.000 0.202 15 E C 0.345 176.966 176.600 0.036 0.000 1.045 15 E CA 0.297 56.719 56.400 0.036 0.000 0.872 15 E CB -0.168 29.552 29.700 0.034 0.000 0.792 15 E HN 0.345 nan 8.360 nan 0.000 0.542 16 N N -0.030 118.691 118.700 0.035 0.000 2.483 16 N HA 0.117 4.857 4.740 -0.000 0.000 0.267 16 N C -2.284 173.252 175.510 0.043 0.000 0.998 16 N CA -2.147 50.926 53.050 0.037 0.000 0.918 16 N CB 1.489 39.997 38.487 0.035 0.000 1.215 16 N HN -0.337 nan 8.380 nan 0.000 0.500 17 P HA -0.110 nan 4.420 nan 0.000 0.218 17 P C 0.227 177.562 177.300 0.057 0.000 1.146 17 P CA 1.061 64.190 63.100 0.047 0.000 0.813 17 P CB 0.366 32.089 31.700 0.038 0.000 0.778 18 D N -1.208 119.224 120.400 0.054 0.000 2.149 18 D HA -0.030 4.610 4.640 -0.000 0.000 0.201 18 D C 0.579 176.935 176.300 0.093 0.000 0.972 18 D CA 0.818 54.854 54.000 0.060 0.000 0.835 18 D CB -0.598 40.229 40.800 0.045 0.000 0.966 18 D HN 0.079 nan 8.370 nan 0.000 0.476 19 S N -0.129 115.626 115.700 0.092 0.000 2.563 19 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 19 S C -0.129 174.586 174.600 0.191 0.000 1.331 19 S CA -0.072 58.196 58.200 0.114 0.000 1.047 19 S CB 0.468 63.709 63.200 0.068 0.000 0.859 19 S HN 0.194 nan 8.310 nan 0.000 0.514 20 F N 2.363 122.328 119.950 0.024 0.000 2.630 20 F HA 0.486 5.013 4.527 -0.000 0.000 0.325 20 F C -1.649 174.169 175.800 0.029 0.000 1.184 20 F CA -0.876 57.139 58.000 0.025 0.000 1.011 20 F CB 0.612 39.634 39.000 0.035 0.000 1.268 20 F HN 0.331 nan 8.300 nan 0.000 0.480 21 I N 6.888 127.140 120.570 -0.531 0.000 2.312 21 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 21 I C -0.608 175.293 176.117 -0.361 0.000 1.031 21 I CA -0.505 60.604 61.300 -0.318 0.000 1.293 21 I CB 1.277 39.141 38.000 -0.228 0.000 1.403 21 I HN 0.318 nan 8.210 nan 0.000 0.484 22 V N 6.166 126.063 119.914 -0.028 0.000 2.350 22 V HA 0.760 4.880 4.120 -0.000 0.000 0.276 22 V C 0.286 176.461 176.094 0.134 0.000 1.028 22 V CA -0.589 61.783 62.300 0.120 0.000 0.860 22 V CB 1.035 33.074 31.823 0.360 0.000 0.990 22 V HN 0.810 nan 8.190 nan 0.000 0.453 23 A N 7.776 130.621 122.820 0.041 0.000 2.522 23 A HA 0.779 5.099 4.320 -0.000 0.000 0.285 23 A C -2.718 174.883 177.584 0.028 0.000 1.198 23 A CA -1.582 50.471 52.037 0.027 0.000 0.742 23 A CB 1.148 20.162 19.000 0.023 0.000 1.176 23 A HN 0.577 nan 8.150 nan 0.000 0.444 24 P HA 0.193 nan 4.420 nan 0.000 0.269 24 P C 0.505 177.829 177.300 0.040 0.000 1.209 24 P CA 0.430 63.468 63.100 -0.103 0.000 0.776 24 P CB 0.955 32.291 31.700 -0.606 0.000 0.876 25 G N 1.334 110.224 108.800 0.150 0.000 2.355 25 G HA2 0.485 4.445 3.960 -0.000 0.000 0.276 25 G HA3 0.485 4.445 3.960 -0.000 0.000 0.276 25 G C -0.831 174.163 174.900 0.157 0.000 1.198 25 G CA -0.229 45.023 45.100 0.254 0.000 0.876 25 G HN 0.400 nan 8.290 nan 0.000 0.478 26 V N 2.393 122.390 119.914 0.138 0.000 3.049 26 V HA 0.559 4.679 4.120 -0.000 0.000 0.309 26 V C -0.318 175.841 176.094 0.107 0.000 1.148 26 V CA -0.513 61.837 62.300 0.084 0.000 0.990 26 V CB 2.222 34.033 31.823 -0.021 0.000 1.039 26 V HN 0.922 nan 8.190 nan 0.000 0.430 27 Y N 0.818 121.074 120.300 -0.075 0.000 2.795 27 Y HA 0.526 5.076 4.550 0.000 0.000 0.274 27 Y C -0.216 175.641 175.900 -0.073 0.000 1.035 27 Y CA -0.101 57.953 58.100 -0.077 0.000 1.252 27 Y CB 0.349 38.769 38.460 -0.067 0.000 1.399 27 Y HN 0.640 nan 8.280 nan 0.000 0.579 28 D N -0.475 119.637 120.400 -0.481 0.000 3.145 28 D HA 0.212 4.852 4.640 -0.000 0.000 0.345 28 D C 1.033 177.163 176.300 -0.284 0.000 1.391 28 D CA -0.037 53.748 54.000 -0.359 0.000 0.930 28 D CB 0.674 41.211 40.800 -0.439 0.000 1.451 28 D HN 0.039 nan 8.370 nan 0.000 0.555 29 G N -0.295 108.380 108.800 -0.208 0.000 2.448 29 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.218 29 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.218 29 G C 1.543 176.357 174.900 -0.144 0.000 1.135 29 G CA 0.614 45.629 45.100 -0.143 0.000 0.784 29 G HN 0.288 nan 8.290 nan 0.000 0.543 30 L N 0.972 122.077 121.223 -0.196 0.000 2.145 30 L HA 0.022 4.362 4.340 -0.000 0.000 0.201 30 L C 3.250 180.014 176.870 -0.177 0.000 1.075 30 L CA 1.201 55.947 54.840 -0.158 0.000 0.773 30 L CB -0.166 41.808 42.059 -0.143 0.000 0.936 30 L HN 0.333 nan 8.230 nan 0.000 0.451 31 S N -0.080 115.432 115.700 -0.312 0.000 2.399 31 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 31 S C 1.988 176.500 174.600 -0.147 0.000 1.022 31 S CA 0.883 58.929 58.200 -0.256 0.000 0.983 31 S CB -0.404 62.509 63.200 -0.478 0.000 0.803 31 S HN 0.345 nan 8.310 nan 0.000 0.480 32 A N 2.137 124.862 122.820 -0.158 0.000 1.935 32 A HA 0.159 4.479 4.320 -0.000 0.000 0.214 32 A C 2.354 179.908 177.584 -0.049 0.000 1.178 32 A CA 0.431 52.413 52.037 -0.092 0.000 0.640 32 A CB -0.335 18.605 19.000 -0.100 0.000 0.825 32 A HN 0.339 nan 8.150 nan 0.000 0.447 33 R N -0.258 120.209 120.500 -0.055 0.000 2.092 33 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 33 R C 2.076 178.375 176.300 -0.003 0.000 1.119 33 R CA 1.374 57.458 56.100 -0.025 0.000 0.970 33 R CB -0.974 29.308 30.300 -0.029 0.000 0.864 33 R HN 0.412 nan 8.270 nan 0.000 0.440 34 V N 1.181 121.089 119.914 -0.010 0.000 2.270 34 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 34 V C 2.537 178.671 176.094 0.066 0.000 1.043 34 V CA 1.846 64.156 62.300 0.017 0.000 1.014 34 V CB -0.822 31.004 31.823 0.005 0.000 0.645 34 V HN 0.326 nan 8.190 nan 0.000 0.447 35 A N -0.518 122.341 122.820 0.066 0.000 1.986 35 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 35 A C 2.119 179.859 177.584 0.259 0.000 1.171 35 A CA 1.824 53.952 52.037 0.151 0.000 0.640 35 A CB -0.524 18.473 19.000 -0.006 0.000 0.811 35 A HN 0.407 nan 8.150 nan 0.000 0.451 36 L N -0.059 121.243 121.223 0.132 0.000 2.027 36 L HA -0.061 4.279 4.340 -0.000 0.000 0.206 36 L C 2.661 179.584 176.870 0.088 0.000 1.074 36 L CA 2.302 57.209 54.840 0.112 0.000 0.745 36 L CB -1.103 40.989 42.059 0.054 0.000 0.898 36 L HN 0.354 nan 8.230 nan 0.000 0.433 37 S N -0.403 115.335 115.700 0.064 0.000 2.474 37 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 37 S C 1.772 176.394 174.600 0.038 0.000 0.997 37 S CA 0.790 59.012 58.200 0.038 0.000 0.949 37 S CB -0.302 62.913 63.200 0.024 0.000 0.766 37 S HN 0.457 nan 8.310 nan 0.000 0.517 38 A N 0.449 123.322 122.820 0.087 0.000 2.278 38 A HA 0.542 4.862 4.320 -0.000 0.000 0.212 38 A C 1.580 179.093 177.584 -0.118 0.000 1.213 38 A CA 0.520 52.588 52.037 0.053 0.000 0.840 38 A CB -0.661 18.459 19.000 0.200 0.000 0.866 38 A HN 0.803 nan 8.150 nan 0.000 0.489 39 G N -1.787 106.973 108.800 -0.066 0.000 2.157 39 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.239 39 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.239 39 G C 0.022 174.820 174.900 -0.171 0.000 0.982 39 G CA -0.029 44.986 45.100 -0.142 0.000 0.650 39 G HN 0.317 nan 8.290 nan 0.000 0.527 40 F N 0.805 120.772 119.950 0.028 0.000 2.444 40 F HA 0.433 4.960 4.527 0.000 0.000 0.331 40 F C 1.342 177.164 175.800 0.037 0.000 1.167 40 F CA 0.440 58.465 58.000 0.042 0.000 1.262 40 F CB 0.727 39.758 39.000 0.052 0.000 1.196 40 F HN -0.028 nan 8.300 nan 0.000 0.583 41 D N 0.726 121.287 120.400 0.267 0.000 2.500 41 D HA 0.308 4.948 4.640 -0.000 0.000 0.217 41 D C -0.110 176.267 176.300 0.128 0.000 1.159 41 D CA 0.337 54.426 54.000 0.149 0.000 0.828 41 D CB 0.831 41.696 40.800 0.107 0.000 1.039 41 D HN 0.409 nan 8.370 nan 0.000 0.512 42 A N 0.470 123.382 122.820 0.153 0.000 2.594 42 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 42 A C -1.583 176.047 177.584 0.077 0.000 1.105 42 A CA -0.539 51.553 52.037 0.091 0.000 0.694 42 A CB 1.423 20.458 19.000 0.058 0.000 1.291 42 A HN 0.039 nan 8.150 nan 0.000 0.410 43 L N 0.420 121.675 121.223 0.052 0.000 2.388 43 L HA 0.525 4.865 4.340 -0.000 0.000 0.264 43 L C -1.343 175.583 176.870 0.093 0.000 0.998 43 L CA -0.714 54.149 54.840 0.037 0.000 0.817 43 L CB 2.212 44.273 42.059 0.004 0.000 1.338 43 L HN 0.806 nan 8.230 nan 0.000 0.414 44 Y N 2.853 123.142 120.300 -0.020 0.000 2.352 44 Y HA 0.494 5.044 4.550 -0.000 0.000 0.339 44 Y C -0.336 175.583 175.900 0.032 0.000 0.992 44 Y CA -0.897 57.211 58.100 0.013 0.000 1.100 44 Y CB 1.750 40.223 38.460 0.021 0.000 1.192 44 Y HN 0.527 nan 8.280 nan 0.000 0.458 45 M N 7.074 126.211 119.600 -0.772 0.000 2.069 45 M HA 0.175 4.655 4.480 -0.000 0.000 0.349 45 M C -0.327 175.491 176.300 -0.804 0.000 1.194 45 M CA -0.245 54.712 55.300 -0.571 0.000 1.081 45 M CB 0.339 32.735 32.600 -0.339 0.000 1.500 45 M HN 0.870 nan 8.290 nan 0.000 0.438 46 T N 3.115 117.468 114.554 -0.334 0.000 2.870 46 T HA 0.284 4.634 4.350 -0.000 0.000 0.300 46 T C 1.267 176.000 174.700 0.056 0.000 0.989 46 T CA 0.348 62.464 62.100 0.025 0.000 1.139 46 T CB 0.963 69.985 68.868 0.256 0.000 0.920 46 T HN 0.875 nan 8.240 nan 0.000 0.537 47 G N 3.276 112.165 108.800 0.149 0.000 2.408 47 G HA2 0.014 3.974 3.960 -0.000 0.000 0.217 47 G HA3 0.014 3.974 3.960 -0.000 0.000 0.217 47 G C 1.754 176.742 174.900 0.148 0.000 1.150 47 G CA 0.704 45.895 45.100 0.153 0.000 0.776 47 G HN 0.951 nan 8.290 nan 0.000 0.542 48 A N 0.893 123.812 122.820 0.165 0.000 1.898 48 A HA 0.183 4.503 4.320 -0.000 0.000 0.216 48 A C 2.676 180.310 177.584 0.082 0.000 1.181 48 A CA 2.032 54.151 52.037 0.136 0.000 0.620 48 A CB -0.972 18.132 19.000 0.173 0.000 0.819 48 A HN 0.482 nan 8.150 nan 0.000 0.442 49 G N -1.337 107.494 108.800 0.053 0.000 2.408 49 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 49 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 49 G C 1.525 176.443 174.900 0.030 0.000 1.150 49 G CA 1.547 46.605 45.100 -0.069 0.000 0.776 49 G HN 0.421 nan 8.290 nan 0.000 0.542 50 T N 1.561 116.168 114.554 0.089 0.000 2.788 50 T HA 0.040 4.390 4.350 -0.000 0.000 0.268 50 T C 2.802 177.562 174.700 0.100 0.000 1.044 50 T CA 1.342 63.499 62.100 0.095 0.000 1.139 50 T CB -0.267 68.645 68.868 0.073 0.000 0.867 50 T HN 0.362 nan 8.240 nan 0.000 0.454 51 A N 1.373 124.268 122.820 0.125 0.000 1.902 51 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 51 A C 2.599 180.260 177.584 0.128 0.000 1.181 51 A CA 1.831 53.974 52.037 0.176 0.000 0.623 51 A CB -1.006 18.079 19.000 0.142 0.000 0.818 51 A HN 0.507 nan 8.150 nan 0.000 0.443 52 A N -1.254 121.599 122.820 0.056 0.000 1.898 52 A HA 0.012 4.332 4.320 -0.000 0.000 0.214 52 A C 2.459 180.058 177.584 0.024 0.000 1.183 52 A CA 1.932 53.982 52.037 0.021 0.000 0.622 52 A CB -0.836 18.134 19.000 -0.050 0.000 0.824 52 A HN 0.522 nan 8.150 nan 0.000 0.444 53 S N -0.496 115.231 115.700 0.045 0.000 2.338 53 S HA -0.120 4.350 4.470 -0.000 0.000 0.218 53 S C 1.937 176.541 174.600 0.007 0.000 1.032 53 S CA 1.748 60.007 58.200 0.097 0.000 0.999 53 S CB -0.483 62.879 63.200 0.270 0.000 0.905 53 S HN 0.281 nan 8.310 nan 0.000 0.439 54 V N 1.528 121.406 119.914 -0.060 0.000 2.358 54 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 54 V C 2.057 177.912 176.094 -0.399 0.000 1.047 54 V CA 1.777 63.920 62.300 -0.261 0.000 1.035 54 V CB -0.688 30.899 31.823 -0.393 0.000 0.658 54 V HN 0.610 nan 8.190 nan 0.000 0.452 55 H N -0.745 118.340 119.070 0.025 0.000 2.750 55 H HA 0.298 4.854 4.556 0.000 0.000 0.263 55 H C 1.919 177.259 175.328 0.020 0.000 0.964 55 H CA 0.847 56.907 56.048 0.020 0.000 1.205 55 H CB 0.732 30.506 29.762 0.020 0.000 1.454 55 H HN 0.499 nan 8.280 nan 0.000 0.503 56 G N 1.659 110.522 108.800 0.104 0.000 2.198 56 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 56 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 56 G C -0.013 174.933 174.900 0.077 0.000 1.042 56 G CA 0.379 45.522 45.100 0.071 0.000 0.791 56 G HN 0.378 nan 8.290 nan 0.000 0.502 57 Q N -0.645 119.214 119.800 0.098 0.000 2.387 57 Q HA 0.817 5.157 4.340 -0.000 0.000 0.273 57 Q C 0.460 176.500 176.000 0.066 0.000 1.089 57 Q CA 0.255 56.105 55.803 0.078 0.000 0.824 57 Q CB 1.644 30.431 28.738 0.082 0.000 1.367 57 Q HN 1.088 nan 8.270 nan 0.000 0.443 58 A N 1.228 124.080 122.820 0.053 0.000 2.429 58 A HA 0.089 4.409 4.320 -0.000 0.000 0.242 58 A C -0.218 177.402 177.584 0.060 0.000 1.088 58 A CA 0.012 52.081 52.037 0.054 0.000 0.784 58 A CB 0.013 19.039 19.000 0.043 0.000 1.038 58 A HN 0.755 nan 8.150 nan 0.000 0.501 59 D N 0.657 121.099 120.400 0.069 0.000 2.541 59 D HA 0.245 4.884 4.640 -0.000 0.000 0.231 59 D C -0.091 176.244 176.300 0.060 0.000 1.163 59 D CA 0.516 54.562 54.000 0.077 0.000 1.077 59 D CB -0.658 40.197 40.800 0.091 0.000 1.110 59 D HN 0.378 nan 8.370 nan 0.000 0.499 60 L N 1.431 122.683 121.223 0.048 0.000 3.209 60 L HA 0.334 4.674 4.340 -0.000 0.000 0.279 60 L C 1.348 178.236 176.870 0.030 0.000 1.301 60 L CA -0.500 54.360 54.840 0.033 0.000 1.004 60 L CB 0.451 42.523 42.059 0.021 0.000 1.402 60 L HN 0.426 nan 8.230 nan 0.000 0.577 61 G N 0.653 109.483 108.800 0.049 0.000 2.305 61 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 61 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 61 G C 0.768 175.685 174.900 0.029 0.000 1.036 61 G CA 0.244 45.379 45.100 0.059 0.000 0.887 61 G HN 0.353 nan 8.290 nan 0.000 0.505 62 I N -0.698 119.868 120.570 -0.006 0.000 3.059 62 I HA 0.042 4.212 4.170 -0.000 0.000 0.270 62 I C 1.334 177.354 176.117 -0.162 0.000 1.238 62 I CA 0.477 61.711 61.300 -0.110 0.000 1.478 62 I CB -0.371 37.533 38.000 -0.160 0.000 1.097 62 I HN 0.320 nan 8.210 nan 0.000 0.455 63 C N 2.528 121.824 119.300 -0.006 0.000 2.307 63 C HA 0.407 4.867 4.460 -0.000 0.000 0.340 63 C C 1.338 176.354 174.990 0.043 0.000 1.275 63 C CA -0.584 58.469 59.018 0.058 0.000 1.811 63 C CB 0.570 28.401 27.740 0.152 0.000 2.372 63 C HN 0.469 nan 8.230 nan 0.000 0.531 64 T N 1.041 115.571 114.554 -0.041 0.000 2.847 64 T HA 0.289 4.639 4.350 -0.000 0.000 0.279 64 T C 1.125 175.562 174.700 -0.439 0.000 0.984 64 T CA -0.672 61.343 62.100 -0.141 0.000 0.988 64 T CB 0.533 69.353 68.868 -0.080 0.000 1.040 64 T HN 0.396 nan 8.240 nan 0.000 0.528 65 L N 1.677 122.533 121.223 -0.611 0.000 2.013 65 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 65 L C 2.061 178.750 176.870 -0.302 0.000 1.073 65 L CA 2.053 56.483 54.840 -0.683 0.000 0.753 65 L CB -1.671 40.145 42.059 -0.405 0.000 0.890 65 L HN 0.765 nan 8.230 nan 0.000 0.432 66 N N 0.138 118.736 118.700 -0.171 0.000 2.094 66 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 66 N C 1.450 176.919 175.510 -0.069 0.000 1.023 66 N CA 1.799 54.796 53.050 -0.088 0.000 0.857 66 N CB -0.632 37.823 38.487 -0.054 0.000 1.013 66 N HN 0.507 nan 8.380 nan 0.000 0.426 67 D N 0.296 120.661 120.400 -0.058 0.000 2.084 67 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 67 D C 1.921 178.197 176.300 -0.040 0.000 0.990 67 D CA 1.014 55.006 54.000 -0.014 0.000 0.826 67 D CB -0.203 40.659 40.800 0.104 0.000 0.971 67 D HN 0.194 nan 8.370 nan 0.000 0.453 68 M N 0.619 120.178 119.600 -0.068 0.000 2.059 68 M HA -0.094 4.386 4.480 -0.000 0.000 0.259 68 M C 2.251 178.535 176.300 -0.028 0.000 1.072 68 M CA 0.943 56.235 55.300 -0.013 0.000 1.117 68 M CB -1.068 31.568 32.600 0.060 0.000 1.320 68 M HN 0.004 nan 8.290 nan 0.000 0.408 69 R N 0.648 121.176 120.500 0.045 0.000 2.162 69 R HA -0.227 4.113 4.340 -0.000 0.000 0.245 69 R C 2.030 178.277 176.300 -0.088 0.000 1.129 69 R CA 2.507 58.625 56.100 0.029 0.000 0.940 69 R CB -0.870 29.482 30.300 0.087 0.000 0.875 69 R HN 0.391 nan 8.270 nan 0.000 0.437 70 A N 1.064 123.845 122.820 -0.065 0.000 1.881 70 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 70 A C 2.062 179.588 177.584 -0.096 0.000 1.215 70 A CA 2.266 54.260 52.037 -0.073 0.000 0.648 70 A CB -1.088 17.876 19.000 -0.059 0.000 0.832 70 A HN 0.600 nan 8.150 nan 0.000 0.455 71 N N -0.278 118.363 118.700 -0.098 0.000 2.069 71 N HA -0.097 4.643 4.740 -0.000 0.000 0.191 71 N C 1.815 177.234 175.510 -0.152 0.000 1.031 71 N CA 2.061 55.047 53.050 -0.108 0.000 0.852 71 N CB -0.459 37.978 38.487 -0.083 0.000 1.018 71 N HN 0.443 nan 8.380 nan 0.000 0.423 72 A N 0.635 123.322 122.820 -0.222 0.000 1.873 72 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 72 A C 2.146 179.583 177.584 -0.246 0.000 1.193 72 A CA 2.097 53.938 52.037 -0.326 0.000 0.629 72 A CB -1.060 17.552 19.000 -0.646 0.000 0.826 72 A HN 0.599 nan 8.150 nan 0.000 0.447 73 E N -0.491 119.589 120.200 -0.200 0.000 2.058 73 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 73 E C 2.046 178.584 176.600 -0.103 0.000 0.997 73 E CA 2.135 58.456 56.400 -0.132 0.000 0.801 73 E CB -0.256 29.390 29.700 -0.091 0.000 0.746 73 E HN 0.745 nan 8.360 nan 0.000 0.450 74 M N -0.330 119.210 119.600 -0.099 0.000 2.200 74 M HA 0.012 4.492 4.480 -0.000 0.000 0.265 74 M C 1.871 178.122 176.300 -0.082 0.000 1.066 74 M CA 1.493 56.745 55.300 -0.080 0.000 1.127 74 M CB -0.325 32.228 32.600 -0.078 0.000 1.379 74 M HN 0.099 nan 8.290 nan 0.000 0.420 75 I N 0.530 121.040 120.570 -0.100 0.000 2.202 75 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 75 I C 2.163 178.233 176.117 -0.079 0.000 1.091 75 I CA 1.407 62.649 61.300 -0.096 0.000 1.368 75 I CB -0.469 37.461 38.000 -0.116 0.000 1.058 75 I HN 0.383 nan 8.210 nan 0.000 0.410 76 S N 0.726 116.373 115.700 -0.089 0.000 2.440 76 S HA -0.148 4.322 4.470 -0.000 0.000 0.240 76 S C 1.471 176.045 174.600 -0.043 0.000 1.014 76 S CA 1.147 59.308 58.200 -0.065 0.000 0.980 76 S CB -0.345 62.810 63.200 -0.075 0.000 0.775 76 S HN 0.455 nan 8.310 nan 0.000 0.499 77 N N 0.470 119.142 118.700 -0.047 0.000 2.236 77 N HA 0.304 5.044 4.740 -0.000 0.000 0.196 77 N C 1.091 176.583 175.510 -0.031 0.000 1.114 77 N CA 0.061 53.090 53.050 -0.035 0.000 0.859 77 N CB 0.193 38.658 38.487 -0.036 0.000 0.982 77 N HN 0.396 nan 8.380 nan 0.000 0.493 78 I N -0.363 120.187 120.570 -0.034 0.000 2.286 78 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 78 I C 0.845 176.952 176.117 -0.017 0.000 1.104 78 I CA 0.887 62.169 61.300 -0.028 0.000 1.397 78 I CB 0.147 38.126 38.000 -0.034 0.000 1.072 78 I HN -0.040 nan 8.210 nan 0.000 0.417 79 S N 0.570 116.263 115.700 -0.012 0.000 2.389 79 S HA 0.353 4.823 4.470 -0.000 0.000 0.201 79 S C -2.159 172.441 174.600 0.000 0.000 1.422 79 S CA -1.281 56.918 58.200 -0.001 0.000 1.216 79 S CB 0.874 64.079 63.200 0.009 0.000 1.130 79 S HN -0.153 nan 8.310 nan 0.000 0.465 80 P HA -0.015 nan 4.420 nan 0.000 0.230 80 P C 1.175 178.479 177.300 0.007 0.000 1.158 80 P CA 0.632 63.732 63.100 -0.001 0.000 0.769 80 P CB 0.045 31.744 31.700 -0.002 0.000 0.807 81 S N -3.463 112.243 115.700 0.010 0.000 2.524 81 S HA 0.069 4.539 4.470 -0.000 0.000 0.216 81 S C 0.902 175.515 174.600 0.021 0.000 0.987 81 S CA 0.041 58.250 58.200 0.016 0.000 0.909 81 S CB -1.069 62.141 63.200 0.016 0.000 0.781 81 S HN -0.029 nan 8.310 nan 0.000 0.521 82 T N 5.417 119.984 114.554 0.022 0.000 2.729 82 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 82 T C -2.762 171.954 174.700 0.027 0.000 0.928 82 T CA -1.199 60.920 62.100 0.031 0.000 1.045 82 T CB 0.939 69.831 68.868 0.039 0.000 0.902 82 T HN 0.170 nan 8.240 nan 0.000 0.500 83 P HA 0.237 nan 4.420 nan 0.000 0.265 83 P C -0.909 176.408 177.300 0.028 0.000 1.193 83 P CA -0.248 62.870 63.100 0.029 0.000 0.765 83 P CB 0.524 32.241 31.700 0.029 0.000 0.823 84 V N 5.139 125.066 119.914 0.021 0.000 2.638 84 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 84 V C 0.006 176.114 176.094 0.023 0.000 1.052 84 V CA -0.502 61.803 62.300 0.008 0.000 0.885 84 V CB 1.807 33.612 31.823 -0.030 0.000 0.999 84 V HN 0.339 nan 8.190 nan 0.000 0.424 85 I N 4.097 124.698 120.570 0.051 0.000 2.362 85 I HA 0.801 4.971 4.170 -0.000 0.000 0.289 85 I C 0.246 176.386 176.117 0.038 0.000 0.994 85 I CA -0.497 60.874 61.300 0.119 0.000 1.158 85 I CB 1.741 39.875 38.000 0.222 0.000 1.315 85 I HN 0.647 nan 8.210 nan 0.000 0.451 86 A N 4.200 127.048 122.820 0.047 0.000 2.355 86 A HA 0.494 4.814 4.320 -0.000 0.000 0.324 86 A C -0.803 176.729 177.584 -0.087 0.000 1.117 86 A CA -0.589 51.379 52.037 -0.114 0.000 0.785 86 A CB 1.298 20.162 19.000 -0.226 0.000 1.254 86 A HN 0.678 nan 8.150 nan 0.000 0.453 87 D N 1.351 121.604 120.400 -0.244 0.000 2.390 87 D HA 0.440 5.080 4.640 -0.000 0.000 0.249 87 D C 0.616 176.977 176.300 0.101 0.000 1.144 87 D CA 0.896 54.735 54.000 -0.269 0.000 0.880 87 D CB 1.251 42.038 40.800 -0.021 0.000 1.182 87 D HN 0.515 nan 8.370 nan 0.000 0.451 88 A N 3.747 126.615 122.820 0.080 0.000 2.571 88 A HA 0.192 4.512 4.320 -0.000 0.000 0.274 88 A C 0.950 178.451 177.584 -0.138 0.000 1.196 88 A CA 0.002 52.116 52.037 0.129 0.000 0.957 88 A CB 0.124 19.135 19.000 0.018 0.000 1.150 88 A HN 0.724 nan 8.150 nan 0.000 0.539 89 D N -0.366 120.024 120.400 -0.017 0.000 3.927 89 D HA -0.242 4.398 4.640 -0.000 0.000 0.142 89 D C 1.152 177.345 176.300 -0.178 0.000 0.830 89 D CA 3.031 56.967 54.000 -0.107 0.000 1.091 89 D CB -1.004 39.636 40.800 -0.266 0.000 0.495 89 D HN 0.651 nan 8.370 nan 0.000 0.489 90 T N -2.413 111.919 114.554 -0.369 0.000 3.040 90 T HA 0.502 4.852 4.350 -0.000 0.000 0.266 90 T C 1.246 175.788 174.700 -0.263 0.000 1.005 90 T CA 1.081 63.052 62.100 -0.215 0.000 0.906 90 T CB 1.284 70.070 68.868 -0.136 0.000 1.082 90 T HN 1.099 nan 8.240 nan 0.000 0.531 91 G N 1.094 109.576 108.800 -0.530 0.000 2.184 91 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.206 91 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.206 91 G C 0.401 175.186 174.900 -0.192 0.000 0.995 91 G CA -0.145 44.763 45.100 -0.319 0.000 0.651 91 G HN 0.534 nan 8.290 nan 0.000 0.511 92 Y N -1.687 118.585 120.300 -0.045 0.000 4.753 92 Y HA -0.111 4.439 4.550 -0.000 0.000 0.232 92 Y C 1.675 177.556 175.900 -0.033 0.000 1.029 92 Y CA 1.935 60.011 58.100 -0.040 0.000 1.996 92 Y CB -1.449 36.975 38.460 -0.060 0.000 1.602 92 Y HN 1.797 nan 8.280 nan 0.000 0.621 93 G N -1.652 107.169 108.800 0.035 0.000 2.360 93 G HA2 0.479 4.439 3.960 -0.000 0.000 0.276 93 G HA3 0.479 4.439 3.960 -0.000 0.000 0.276 93 G C 0.104 175.004 174.900 -0.001 0.000 1.256 93 G CA -0.201 44.914 45.100 0.024 0.000 0.890 93 G HN 0.580 nan 8.290 nan 0.000 0.486 94 G N -0.396 108.405 108.800 0.001 0.000 2.531 94 G HA2 0.546 4.506 3.960 -0.000 0.000 0.253 94 G HA3 0.546 4.506 3.960 -0.000 0.000 0.253 94 G C -0.983 173.913 174.900 -0.008 0.000 1.439 94 G CA 0.088 45.186 45.100 -0.004 0.000 1.056 94 G HN 0.448 nan 8.290 nan 0.000 0.555 95 P HA -0.120 nan 4.420 nan 0.000 0.214 95 P C 2.166 179.460 177.300 -0.009 0.000 1.163 95 P CA 1.211 64.305 63.100 -0.010 0.000 0.889 95 P CB -0.006 31.688 31.700 -0.010 0.000 0.790 96 I N -1.958 118.608 120.570 -0.007 0.000 2.143 96 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 96 I C 2.082 178.193 176.117 -0.010 0.000 1.068 96 I CA 2.072 63.368 61.300 -0.006 0.000 1.326 96 I CB -1.479 36.519 38.000 -0.003 0.000 1.028 96 I HN 0.057 nan 8.210 nan 0.000 0.412 97 M N -0.197 119.399 119.600 -0.007 0.000 2.435 97 M HA 0.016 4.496 4.480 -0.000 0.000 0.265 97 M C 2.480 178.768 176.300 -0.020 0.000 1.104 97 M CA 0.666 55.965 55.300 -0.003 0.000 1.140 97 M CB -0.562 32.051 32.600 0.021 0.000 1.372 97 M HN 0.068 nan 8.290 nan 0.000 0.456 98 V N 0.819 120.715 119.914 -0.031 0.000 2.295 98 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 98 V C 2.694 178.747 176.094 -0.068 0.000 1.049 98 V CA 2.004 64.271 62.300 -0.055 0.000 1.024 98 V CB -1.214 30.595 31.823 -0.024 0.000 0.648 98 V HN 0.453 nan 8.190 nan 0.000 0.447 99 A N -0.026 122.773 122.820 -0.036 0.000 1.845 99 A HA -0.254 4.066 4.320 -0.000 0.000 0.215 99 A C 2.330 179.884 177.584 -0.050 0.000 1.195 99 A CA 2.011 54.031 52.037 -0.027 0.000 0.616 99 A CB -0.633 18.360 19.000 -0.011 0.000 0.832 99 A HN 0.486 nan 8.150 nan 0.000 0.443 100 R N -1.077 119.396 120.500 -0.045 0.000 2.153 100 R HA -0.152 4.188 4.340 -0.000 0.000 0.252 100 R C 2.176 178.417 176.300 -0.098 0.000 1.158 100 R CA 1.974 58.044 56.100 -0.051 0.000 0.975 100 R CB -0.755 29.524 30.300 -0.036 0.000 0.871 100 R HN 0.578 nan 8.270 nan 0.000 0.450 101 T N -0.327 114.130 114.554 -0.162 0.000 2.851 101 T HA -0.053 4.297 4.350 -0.000 0.000 0.262 101 T C 1.776 176.172 174.700 -0.507 0.000 1.043 101 T CA 1.432 63.320 62.100 -0.354 0.000 1.140 101 T CB -0.105 68.533 68.868 -0.383 0.000 0.872 101 T HN 0.296 nan 8.240 nan 0.000 0.446 102 T N 2.284 116.625 114.554 -0.354 0.000 2.580 102 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 102 T C 1.885 176.535 174.700 -0.083 0.000 1.063 102 T CA 1.625 63.587 62.100 -0.230 0.000 1.170 102 T CB -0.429 68.449 68.868 0.017 0.000 0.863 102 T HN 0.502 nan 8.240 nan 0.000 0.418 103 E N 0.865 121.042 120.200 -0.038 0.000 2.068 103 E HA -0.251 4.099 4.350 -0.000 0.000 0.207 103 E C 2.573 179.185 176.600 0.020 0.000 1.032 103 E CA 1.688 58.089 56.400 0.002 0.000 0.839 103 E CB -0.189 29.509 29.700 -0.004 0.000 0.758 103 E HN 0.558 nan 8.360 nan 0.000 0.457 104 Q N -0.583 119.220 119.800 0.005 0.000 2.020 104 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 104 Q C 2.163 178.248 176.000 0.142 0.000 0.982 104 Q CA 1.375 57.211 55.803 0.054 0.000 0.838 104 Q CB -0.305 28.458 28.738 0.042 0.000 0.899 104 Q HN 0.335 nan 8.270 nan 0.000 0.423 105 Y N 1.212 121.445 120.300 -0.113 0.000 2.096 105 Y HA -0.308 4.242 4.550 -0.000 0.000 0.278 105 Y C 2.725 178.608 175.900 -0.028 0.000 1.192 105 Y CA 1.255 59.295 58.100 -0.100 0.000 1.143 105 Y CB -0.907 37.427 38.460 -0.211 0.000 0.963 105 Y HN 0.061 nan 8.280 nan 0.000 0.505 106 S N -0.172 115.626 115.700 0.162 0.000 2.359 106 S HA -0.238 4.232 4.470 -0.000 0.000 0.222 106 S C 2.015 176.657 174.600 0.070 0.000 1.038 106 S CA 1.731 60.001 58.200 0.116 0.000 1.051 106 S CB -0.316 62.945 63.200 0.101 0.000 0.944 106 S HN 0.453 nan 8.310 nan 0.000 0.433 107 R N 1.003 121.535 120.500 0.053 0.000 2.193 107 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 107 R C 2.341 178.652 176.300 0.018 0.000 1.110 107 R CA 1.198 57.316 56.100 0.031 0.000 0.988 107 R CB -0.430 29.883 30.300 0.022 0.000 0.871 107 R HN 0.237 nan 8.270 nan 0.000 0.458 108 S N -0.483 115.227 115.700 0.016 0.000 2.447 108 S HA 0.003 4.473 4.470 -0.000 0.000 0.233 108 S C 1.468 176.053 174.600 -0.026 0.000 1.006 108 S CA 1.135 59.323 58.200 -0.020 0.000 0.957 108 S CB 0.300 63.465 63.200 -0.058 0.000 0.773 108 S HN 0.715 nan 8.310 nan 0.000 0.507 109 G N 0.321 109.120 108.800 -0.002 0.000 2.184 109 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.206 109 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.206 109 G C 0.124 175.026 174.900 0.005 0.000 0.995 109 G CA -0.144 44.958 45.100 0.004 0.000 0.651 109 G HN 0.369 nan 8.290 nan 0.000 0.511 110 V N 1.315 121.224 119.914 -0.008 0.000 2.584 110 V HA 0.293 4.413 4.120 -0.000 0.000 0.303 110 V C 1.886 178.032 176.094 0.088 0.000 1.035 110 V CA 1.391 63.689 62.300 -0.002 0.000 1.172 110 V CB 0.924 32.714 31.823 -0.054 0.000 0.896 110 V HN 0.950 nan 8.190 nan 0.000 0.486 111 A N 4.127 126.990 122.820 0.072 0.000 1.975 111 A HA 0.600 4.920 4.320 -0.000 0.000 0.215 111 A C 1.026 178.680 177.584 0.117 0.000 1.170 111 A CA 1.141 53.228 52.037 0.082 0.000 0.656 111 A CB 0.050 19.080 19.000 0.050 0.000 0.821 111 A HN 1.379 nan 8.150 nan 0.000 0.449 112 A N -1.556 121.361 122.820 0.161 0.000 2.612 112 A HA 0.677 4.996 4.320 -0.000 0.000 0.293 112 A C -0.868 176.910 177.584 0.324 0.000 1.075 112 A CA -0.350 51.781 52.037 0.157 0.000 0.680 112 A CB 0.454 19.493 19.000 0.065 0.000 1.279 112 A HN 1.191 nan 8.150 nan 0.000 0.411 113 F N -1.247 118.807 119.950 0.173 0.000 2.685 113 F HA 0.870 5.397 4.527 -0.000 0.000 0.315 113 F C -0.714 175.208 175.800 0.203 0.000 1.126 113 F CA -0.926 57.182 58.000 0.180 0.000 0.950 113 F CB 1.038 40.208 39.000 0.282 0.000 1.360 113 F HN 0.880 nan 8.300 nan 0.000 0.469 114 H N -0.205 119.112 119.070 0.412 0.000 2.572 114 H HA 0.812 5.368 4.556 -0.000 0.000 0.359 114 H C -1.779 173.692 175.328 0.238 0.000 1.134 114 H CA -1.566 54.630 56.048 0.245 0.000 1.187 114 H CB 1.913 31.842 29.762 0.279 0.000 1.597 114 H HN 0.878 nan 8.280 nan 0.000 0.524 115 I N 2.856 123.615 120.570 0.315 0.000 2.447 115 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 115 I C -0.404 175.844 176.117 0.220 0.000 1.023 115 I CA -0.587 60.852 61.300 0.232 0.000 1.083 115 I CB 1.669 39.786 38.000 0.195 0.000 1.245 115 I HN 0.792 nan 8.210 nan 0.000 0.434 116 E N 4.241 124.523 120.200 0.136 0.000 2.302 116 E HA 0.327 4.677 4.350 -0.000 0.000 0.255 116 E C -0.894 175.748 176.600 0.070 0.000 1.099 116 E CA -0.688 55.740 56.400 0.046 0.000 0.929 116 E CB 0.834 30.481 29.700 -0.088 0.000 1.203 116 E HN 0.502 nan 8.360 nan 0.000 0.459 117 D N -0.604 119.680 120.400 -0.193 0.000 2.643 117 D HA 0.029 4.669 4.640 -0.000 0.000 0.244 117 D C -0.257 175.946 176.300 -0.163 0.000 1.257 117 D CA -0.348 53.494 54.000 -0.264 0.000 0.831 117 D CB 0.046 40.361 40.800 -0.808 0.000 1.043 117 D HN 0.229 nan 8.370 nan 0.000 0.488 118 Q N 0.583 120.322 119.800 -0.102 0.000 2.312 118 Q HA 0.313 4.653 4.340 -0.000 0.000 0.236 118 Q C 0.807 176.781 176.000 -0.043 0.000 0.965 118 Q CA -0.764 54.996 55.803 -0.071 0.000 0.894 118 Q CB 2.341 31.045 28.738 -0.056 0.000 1.225 118 Q HN 0.263 nan 8.270 nan 0.000 0.478 119 V N -0.504 119.391 119.914 -0.032 0.000 3.432 119 V HA -0.084 4.036 4.120 -0.000 0.000 0.304 119 V C 0.654 176.737 176.094 -0.018 0.000 1.107 119 V CA 0.030 62.318 62.300 -0.019 0.000 1.153 119 V CB 0.349 32.165 31.823 -0.012 0.000 1.072 119 V HN 0.848 nan 8.190 nan 0.000 0.485 120 Q N 1.005 120.798 119.800 -0.012 0.000 2.246 120 Q HA 0.384 4.724 4.340 -0.000 0.000 0.202 120 Q C 0.594 176.596 176.000 0.003 0.000 0.883 120 Q CA 0.772 56.571 55.803 -0.006 0.000 0.952 120 Q CB 0.210 28.947 28.738 -0.002 0.000 1.078 120 Q HN 1.143 nan 8.270 nan 0.000 0.493 131 I N 3.733 124.306 120.570 0.006 0.000 2.428 131 I HA 0.439 4.609 4.170 -0.000 0.000 0.296 131 I C 0.359 176.468 176.117 -0.012 0.000 0.985 131 I CA -0.742 60.564 61.300 0.011 0.000 1.260 131 I CB 0.653 38.658 38.000 0.009 0.000 1.389 131 I HN 0.504 nan 8.210 nan 0.000 0.484 132 L N 4.619 125.829 121.223 -0.022 0.000 2.299 132 L HA 0.633 4.973 4.340 -0.000 0.000 0.268 132 L C -0.023 176.802 176.870 -0.075 0.000 1.012 132 L CA -0.947 53.846 54.840 -0.078 0.000 0.816 132 L CB 1.928 43.898 42.059 -0.148 0.000 1.355 132 L HN 0.306 nan 8.230 nan 0.000 0.457 133 V N 0.004 119.860 119.914 -0.096 0.000 2.966 133 V HA 0.305 4.425 4.120 -0.000 0.000 0.317 133 V C -0.902 175.144 176.094 -0.079 0.000 1.070 133 V CA -0.640 61.625 62.300 -0.058 0.000 1.008 133 V CB 1.997 33.810 31.823 -0.016 0.000 1.070 133 V HN 0.885 nan 8.190 nan 0.000 0.457 134 D N 2.003 122.379 120.400 -0.041 0.000 2.358 134 D HA 0.083 4.723 4.640 -0.000 0.000 0.244 134 D C 0.803 177.104 176.300 0.001 0.000 1.163 134 D CA 0.135 54.108 54.000 -0.045 0.000 0.945 134 D CB 1.538 42.323 40.800 -0.025 0.000 1.152 134 D HN 0.555 nan 8.370 nan 0.000 0.451 135 T N 0.668 115.222 114.554 -0.000 0.000 2.635 135 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 135 T C 1.176 175.930 174.700 0.090 0.000 1.040 135 T CA 1.542 63.686 62.100 0.073 0.000 1.156 135 T CB -0.310 68.583 68.868 0.041 0.000 0.863 135 T HN 0.465 nan 8.240 nan 0.000 0.430 136 D N 1.132 121.555 120.400 0.038 0.000 2.160 136 D HA -0.126 4.514 4.640 -0.000 0.000 0.189 136 D C 2.390 178.708 176.300 0.030 0.000 1.003 136 D CA 1.800 55.814 54.000 0.023 0.000 0.846 136 D CB -0.799 40.006 40.800 0.008 0.000 0.949 136 D HN 0.355 nan 8.370 nan 0.000 0.446 137 T N 0.112 114.690 114.554 0.040 0.000 2.684 137 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 137 T C 1.797 176.542 174.700 0.075 0.000 1.036 137 T CA 1.388 63.513 62.100 0.042 0.000 1.148 137 T CB -0.647 68.242 68.868 0.036 0.000 0.863 137 T HN 0.191 nan 8.240 nan 0.000 0.436 138 Y N 2.227 122.507 120.300 -0.032 0.000 2.070 138 Y HA -0.202 4.348 4.550 0.000 0.000 0.280 138 Y C 2.385 178.274 175.900 -0.018 0.000 1.148 138 Y CA 0.799 58.882 58.100 -0.029 0.000 1.125 138 Y CB -0.921 37.516 38.460 -0.039 0.000 0.975 138 Y HN -0.010 nan 8.280 nan 0.000 0.492 139 V N -0.243 119.603 119.914 -0.113 0.000 2.453 139 V HA -0.391 3.729 4.120 -0.000 0.000 0.252 139 V C 2.316 178.305 176.094 -0.176 0.000 1.068 139 V CA 2.366 64.535 62.300 -0.220 0.000 1.070 139 V CB -1.330 30.441 31.823 -0.086 0.000 0.664 139 V HN 0.514 nan 8.190 nan 0.000 0.461 140 T N -0.546 113.952 114.554 -0.092 0.000 2.652 140 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 140 T C 2.089 176.744 174.700 -0.074 0.000 1.039 140 T CA 1.752 63.816 62.100 -0.061 0.000 1.153 140 T CB -0.262 68.591 68.868 -0.025 0.000 0.863 140 T HN 0.427 nan 8.240 nan 0.000 0.428 141 R N 0.102 120.553 120.500 -0.082 0.000 2.103 141 R HA -0.066 4.274 4.340 -0.000 0.000 0.242 141 R C 2.423 178.662 176.300 -0.101 0.000 1.142 141 R CA 1.451 57.507 56.100 -0.074 0.000 0.960 141 R CB -0.464 29.810 30.300 -0.043 0.000 0.858 141 R HN 0.421 nan 8.270 nan 0.000 0.439 142 I N 0.202 120.644 120.570 -0.213 0.000 2.193 142 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 142 I C 2.517 178.580 176.117 -0.090 0.000 1.084 142 I CA 1.179 62.370 61.300 -0.181 0.000 1.365 142 I CB -0.184 37.625 38.000 -0.319 0.000 1.064 142 I HN 0.166 nan 8.210 nan 0.000 0.410 143 R N 1.648 122.087 120.500 -0.101 0.000 2.316 143 R HA 0.047 4.387 4.340 -0.000 0.000 0.202 143 R C 1.905 178.187 176.300 -0.030 0.000 1.029 143 R CA 1.065 57.130 56.100 -0.058 0.000 1.018 143 R CB -0.276 29.986 30.300 -0.064 0.000 0.888 143 R HN 0.252 nan 8.270 nan 0.000 0.471 144 A N 0.926 123.730 122.820 -0.028 0.000 1.968 144 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 144 A C 2.333 179.928 177.584 0.018 0.000 1.169 144 A CA 1.162 53.194 52.037 -0.008 0.000 0.638 144 A CB -0.417 18.576 19.000 -0.012 0.000 0.812 144 A HN 0.530 nan 8.150 nan 0.000 0.446 145 A N -0.267 122.578 122.820 0.041 0.000 1.903 145 A HA 0.149 4.469 4.320 -0.000 0.000 0.213 145 A C 2.308 179.953 177.584 0.101 0.000 1.185 145 A CA 1.449 53.554 52.037 0.112 0.000 0.628 145 A CB -1.078 18.052 19.000 0.217 0.000 0.830 145 A HN 1.099 nan 8.150 nan 0.000 0.446 146 V N -0.615 119.331 119.914 0.053 0.000 2.295 146 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 146 V C 2.067 178.183 176.094 0.036 0.000 1.049 146 V CA 2.690 65.014 62.300 0.040 0.000 1.024 146 V CB -1.114 30.718 31.823 0.014 0.000 0.648 146 V HN 0.627 nan 8.190 nan 0.000 0.447 147 Q N 0.506 120.319 119.800 0.022 0.000 2.124 147 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 147 Q C 2.491 178.506 176.000 0.025 0.000 0.977 147 Q CA 1.979 57.792 55.803 0.016 0.000 0.850 147 Q CB -0.509 28.232 28.738 0.006 0.000 0.901 147 Q HN 0.820 nan 8.270 nan 0.000 0.429 148 A N 0.957 123.796 122.820 0.033 0.000 1.969 148 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 148 A C 1.992 179.604 177.584 0.047 0.000 1.169 148 A CA 1.304 53.361 52.037 0.034 0.000 0.635 148 A CB -0.381 18.638 19.000 0.031 0.000 0.810 148 A HN 0.215 nan 8.150 nan 0.000 0.445 149 R N -0.588 119.952 120.500 0.067 0.000 2.057 149 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 149 R C 2.351 178.683 176.300 0.053 0.000 1.136 149 R CA 1.560 57.706 56.100 0.077 0.000 0.952 149 R CB -0.351 30.011 30.300 0.104 0.000 0.848 149 R HN 0.645 nan 8.270 nan 0.000 0.430 150 Q N 0.205 120.030 119.800 0.043 0.000 2.014 150 Q HA -0.250 4.090 4.340 -0.000 0.000 0.207 150 Q C 2.219 178.235 176.000 0.027 0.000 0.993 150 Q CA 2.245 58.067 55.803 0.031 0.000 0.850 150 Q CB -0.308 28.444 28.738 0.023 0.000 0.916 150 Q HN 0.274 nan 8.270 nan 0.000 0.417 151 R N 0.656 121.171 120.500 0.024 0.000 2.165 151 R HA -0.234 4.106 4.340 -0.000 0.000 0.254 151 R C 1.927 178.240 176.300 0.021 0.000 1.153 151 R CA 2.130 58.242 56.100 0.019 0.000 0.971 151 R CB -0.441 29.869 30.300 0.017 0.000 0.878 151 R HN 0.492 nan 8.270 nan 0.000 0.449 152 I N -3.810 116.777 120.570 0.028 0.000 3.883 152 I HA 0.402 4.572 4.170 -0.000 0.000 0.326 152 I C 0.960 177.095 176.117 0.030 0.000 1.283 152 I CA 0.513 61.830 61.300 0.028 0.000 1.161 152 I CB 0.847 38.865 38.000 0.030 0.000 1.012 152 I HN 0.228 nan 8.210 nan 0.000 0.421 153 G N 1.364 110.183 108.800 0.032 0.000 2.143 153 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 153 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 153 G C 0.336 175.260 174.900 0.039 0.000 0.991 153 G CA 0.369 45.488 45.100 0.032 0.000 0.689 153 G HN 0.618 nan 8.290 nan 0.000 0.522 154 S N -0.428 115.302 115.700 0.050 0.000 2.545 154 S HA 0.447 4.917 4.470 -0.000 0.000 0.275 154 S C 0.697 175.337 174.600 0.066 0.000 1.299 154 S CA -0.177 58.060 58.200 0.062 0.000 1.048 154 S CB 0.795 64.044 63.200 0.082 0.000 0.938 154 S HN 0.158 nan 8.310 nan 0.000 0.496 155 D N 3.528 123.966 120.400 0.063 0.000 2.504 155 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 155 D C 0.276 176.622 176.300 0.076 0.000 1.203 155 D CA 0.121 54.157 54.000 0.061 0.000 0.847 155 D CB -0.470 40.359 40.800 0.049 0.000 0.973 155 D HN 0.534 nan 8.370 nan 0.000 0.490 156 I N 0.424 121.060 120.570 0.110 0.000 2.692 156 I HA -0.081 4.089 4.170 -0.000 0.000 0.284 156 I C 0.011 176.170 176.117 0.071 0.000 1.159 156 I CA -0.126 61.265 61.300 0.151 0.000 1.423 156 I CB 0.961 39.145 38.000 0.306 0.000 1.380 156 I HN -0.290 nan 8.210 nan 0.000 0.580 157 V N 8.357 128.286 119.914 0.025 0.000 2.389 157 V HA 0.099 4.219 4.120 -0.000 0.000 0.264 157 V C -0.013 175.925 176.094 -0.260 0.000 1.049 157 V CA -0.452 61.809 62.300 -0.065 0.000 0.932 157 V CB 0.963 32.767 31.823 -0.032 0.000 1.011 157 V HN 0.377 nan 8.190 nan 0.000 0.475 158 V N 7.666 127.432 119.914 -0.247 0.000 2.389 158 V HA 0.343 4.463 4.120 -0.000 0.000 0.264 158 V C 0.192 176.182 176.094 -0.173 0.000 1.049 158 V CA -0.121 61.951 62.300 -0.379 0.000 0.932 158 V CB 0.809 32.498 31.823 -0.224 0.000 1.011 158 V HN 0.622 nan 8.190 nan 0.000 0.475 159 I N 4.539 125.000 120.570 -0.182 0.000 2.321 159 I HA 0.579 4.749 4.170 -0.000 0.000 0.291 159 I C 0.553 176.739 176.117 0.114 0.000 0.998 159 I CA -0.354 60.954 61.300 0.013 0.000 1.227 159 I CB 1.471 39.544 38.000 0.121 0.000 1.368 159 I HN 0.607 nan 8.210 nan 0.000 0.466 160 A N 7.170 130.092 122.820 0.171 0.000 2.260 160 A HA 0.502 4.822 4.320 -0.000 0.000 0.312 160 A C -0.005 177.727 177.584 0.246 0.000 1.321 160 A CA -0.548 51.636 52.037 0.245 0.000 0.928 160 A CB 0.387 19.579 19.000 0.319 0.000 1.158 160 A HN 0.838 nan 8.150 nan 0.000 0.542 161 R N 2.083 122.656 120.500 0.122 0.000 2.312 161 R HA 0.509 4.849 4.340 -0.000 0.000 0.311 161 R C -0.320 175.905 176.300 -0.125 0.000 1.004 161 R CA 0.003 55.989 56.100 -0.190 0.000 0.902 161 R CB 1.003 30.836 30.300 -0.778 0.000 1.073 161 R HN 0.594 nan 8.270 nan 0.000 0.457 162 T N 1.161 115.623 114.554 -0.152 0.000 2.925 162 T HA 0.256 4.605 4.350 -0.000 0.000 0.285 162 T C -0.317 174.254 174.700 -0.215 0.000 1.021 162 T CA -0.706 61.246 62.100 -0.247 0.000 1.042 162 T CB 1.142 69.875 68.868 -0.225 0.000 1.037 162 T HN 0.708 nan 8.240 nan 0.000 0.481 163 D N 2.003 122.277 120.400 -0.210 0.000 2.501 163 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 163 D C 1.427 177.677 176.300 -0.085 0.000 1.202 163 D CA 0.119 54.034 54.000 -0.140 0.000 0.829 163 D CB 0.563 41.281 40.800 -0.137 0.000 1.023 163 D HN 0.609 nan 8.370 nan 0.000 0.499 164 S N 0.076 115.717 115.700 -0.098 0.000 2.607 164 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 164 S C 1.868 176.487 174.600 0.032 0.000 0.969 164 S CA -0.130 58.045 58.200 -0.042 0.000 0.927 164 S CB 0.101 63.231 63.200 -0.117 0.000 0.772 164 S HN 0.097 nan 8.310 nan 0.000 0.533 165 L N 2.888 124.121 121.223 0.017 0.000 1.944 165 L HA -0.239 4.101 4.340 -0.000 0.000 0.218 165 L C 2.820 179.726 176.870 0.060 0.000 1.075 165 L CA 2.627 57.499 54.840 0.052 0.000 0.767 165 L CB -1.072 41.027 42.059 0.065 0.000 0.890 165 L HN 0.629 nan 8.230 nan 0.000 0.434 166 Q N -2.140 117.684 119.800 0.040 0.000 2.020 166 Q HA -0.148 4.191 4.340 -0.000 0.000 0.198 166 Q C 1.746 177.748 176.000 0.003 0.000 0.974 166 Q CA 2.075 57.893 55.803 0.024 0.000 0.829 166 Q CB -1.186 27.560 28.738 0.013 0.000 0.894 166 Q HN 0.562 nan 8.270 nan 0.000 0.433 167 T N -0.193 114.366 114.554 0.008 0.000 2.649 167 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 167 T C 0.985 175.581 174.700 -0.173 0.000 1.036 167 T CA 2.225 64.309 62.100 -0.027 0.000 1.157 167 T CB -0.455 68.512 68.868 0.166 0.000 0.861 167 T HN 0.555 nan 8.240 nan 0.000 0.445 168 H N 0.292 119.352 119.070 -0.017 0.000 3.241 168 H HA 0.489 5.045 4.556 0.000 0.000 0.260 168 H C 1.058 176.386 175.328 -0.000 0.000 1.084 168 H CA 0.326 56.365 56.048 -0.015 0.000 1.203 168 H CB 0.875 30.617 29.762 -0.034 0.000 1.524 168 H HN 0.729 nan 8.280 nan 0.000 0.521 169 G N -0.042 108.816 108.800 0.098 0.000 2.705 169 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.686 169 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.686 169 G C 0.154 175.126 174.900 0.119 0.000 1.285 169 G CA -0.072 45.087 45.100 0.100 0.000 0.800 169 G HN 0.302 nan 8.290 nan 0.000 0.611 170 Y N 0.813 121.135 120.300 0.035 0.000 2.114 170 Y HA -0.171 4.378 4.550 -0.000 0.000 0.282 170 Y C 2.729 178.654 175.900 0.041 0.000 1.165 170 Y CA 2.831 60.954 58.100 0.038 0.000 1.148 170 Y CB 0.101 38.582 38.460 0.034 0.000 0.972 170 Y HN 0.646 nan 8.280 nan 0.000 0.504 171 E N 0.335 120.552 120.200 0.028 0.000 2.058 171 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 171 E C 2.081 178.616 176.600 -0.107 0.000 0.997 171 E CA 1.573 57.940 56.400 -0.055 0.000 0.801 171 E CB -0.551 29.180 29.700 0.053 0.000 0.746 171 E HN 0.618 nan 8.360 nan 0.000 0.450 172 E N 1.157 121.329 120.200 -0.047 0.000 2.070 172 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 172 E C 1.999 178.540 176.600 -0.098 0.000 1.004 172 E CA 1.986 58.358 56.400 -0.047 0.000 0.805 172 E CB -0.247 29.461 29.700 0.014 0.000 0.744 172 E HN 0.066 nan 8.360 nan 0.000 0.451 173 S N -0.478 115.140 115.700 -0.136 0.000 2.383 173 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 173 S C 2.031 176.545 174.600 -0.143 0.000 1.030 173 S CA 1.191 59.305 58.200 -0.142 0.000 1.002 173 S CB -0.366 62.747 63.200 -0.145 0.000 0.829 173 S HN 0.191 nan 8.310 nan 0.000 0.467 174 V N 2.360 122.131 119.914 -0.239 0.000 2.244 174 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 174 V C 2.775 178.834 176.094 -0.058 0.000 1.042 174 V CA 1.592 63.790 62.300 -0.170 0.000 1.006 174 V CB -1.544 30.123 31.823 -0.261 0.000 0.641 174 V HN 0.535 nan 8.190 nan 0.000 0.446 175 A N 0.389 123.170 122.820 -0.064 0.000 1.894 175 A HA -0.364 3.956 4.320 -0.000 0.000 0.220 175 A C 2.343 179.930 177.584 0.005 0.000 1.237 175 A CA 2.797 54.817 52.037 -0.028 0.000 0.660 175 A CB -0.766 18.216 19.000 -0.030 0.000 0.835 175 A HN 0.536 nan 8.150 nan 0.000 0.461 176 R N -0.836 119.665 120.500 0.003 0.000 2.117 176 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 176 R C 2.121 178.530 176.300 0.181 0.000 1.143 176 R CA 1.544 57.688 56.100 0.073 0.000 0.968 176 R CB -0.499 29.761 30.300 -0.068 0.000 0.863 176 R HN 0.582 nan 8.270 nan 0.000 0.444 177 L N -0.278 121.022 121.223 0.129 0.000 2.109 177 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 177 L C 2.535 179.482 176.870 0.130 0.000 1.086 177 L CA 1.227 56.205 54.840 0.230 0.000 0.760 177 L CB -0.246 41.963 42.059 0.250 0.000 0.910 177 L HN 0.146 nan 8.230 nan 0.000 0.437 178 R N -0.442 120.075 120.500 0.028 0.000 2.153 178 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 178 R C 2.391 178.624 176.300 -0.112 0.000 1.072 178 R CA 0.936 56.985 56.100 -0.084 0.000 0.990 178 R CB -0.178 30.086 30.300 -0.061 0.000 0.889 178 R HN 0.305 nan 8.270 nan 0.000 0.452 179 A N 1.153 123.952 122.820 -0.035 0.000 1.902 179 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 179 A C 2.322 179.862 177.584 -0.075 0.000 1.181 179 A CA 1.702 53.717 52.037 -0.037 0.000 0.623 179 A CB -0.577 18.439 19.000 0.027 0.000 0.818 179 A HN 0.382 nan 8.150 nan 0.000 0.443 180 A N -0.251 122.555 122.820 -0.024 0.000 1.883 180 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 180 A C 2.252 179.747 177.584 -0.149 0.000 1.186 180 A CA 1.852 53.863 52.037 -0.044 0.000 0.624 180 A CB -0.564 18.537 19.000 0.169 0.000 0.822 180 A HN 0.560 nan 8.150 nan 0.000 0.444 181 R N -0.403 119.850 120.500 -0.412 0.000 2.117 181 R HA -0.210 4.130 4.340 -0.000 0.000 0.243 181 R C 1.277 177.326 176.300 -0.419 0.000 1.143 181 R CA 2.063 57.670 56.100 -0.822 0.000 0.968 181 R CB -0.364 29.224 30.300 -1.187 0.000 0.863 181 R HN 0.474 nan 8.270 nan 0.000 0.444 182 D N 0.025 120.258 120.400 -0.278 0.000 2.183 182 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 182 D C 1.411 177.632 176.300 -0.132 0.000 0.969 182 D CA 1.333 55.224 54.000 -0.180 0.000 0.842 182 D CB -0.136 40.583 40.800 -0.135 0.000 0.957 182 D HN 0.366 nan 8.370 nan 0.000 0.484 183 A N 0.180 122.925 122.820 -0.125 0.000 2.248 183 A HA 0.333 4.653 4.320 -0.000 0.000 0.210 183 A C 1.495 179.033 177.584 -0.078 0.000 1.174 183 A CA 0.913 52.892 52.037 -0.097 0.000 0.750 183 A CB -0.795 18.136 19.000 -0.114 0.000 0.780 183 A HN 0.247 nan 8.150 nan 0.000 0.478 184 G N -1.278 107.464 108.800 -0.097 0.000 2.351 184 G HA2 0.147 4.107 3.960 -0.000 0.000 0.297 184 G HA3 0.147 4.107 3.960 -0.000 0.000 0.297 184 G C 0.231 175.132 174.900 0.001 0.000 1.054 184 G CA 0.412 45.476 45.100 -0.061 0.000 1.123 184 G HN 1.515 nan 8.290 nan 0.000 0.512 185 A N -0.443 122.402 122.820 0.042 0.000 2.264 185 A HA 0.781 5.101 4.320 -0.000 0.000 0.304 185 A C 1.051 178.884 177.584 0.416 0.000 1.100 185 A CA 0.252 52.399 52.037 0.182 0.000 0.839 185 A CB 0.739 19.874 19.000 0.225 0.000 1.121 185 A HN 0.247 nan 8.150 nan 0.000 0.496 186 D N -0.748 119.857 120.400 0.341 0.000 2.369 186 D HA 0.144 4.784 4.640 -0.000 0.000 0.231 186 D C 0.056 176.424 176.300 0.113 0.000 0.967 186 D CA 1.165 55.348 54.000 0.306 0.000 0.905 186 D CB 0.272 41.128 40.800 0.092 0.000 1.044 186 D HN 0.214 nan 8.370 nan 0.000 0.487 187 V N 0.649 120.475 119.914 -0.147 0.000 2.680 187 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 187 V C 0.453 176.091 176.094 -0.761 0.000 1.052 187 V CA -0.976 60.993 62.300 -0.553 0.000 0.908 187 V CB 1.930 33.592 31.823 -0.268 0.000 1.001 187 V HN 0.078 nan 8.190 nan 0.000 0.431 188 G N 1.792 109.875 108.800 -1.195 0.000 2.425 188 G HA2 0.626 4.586 3.960 -0.000 0.000 0.302 188 G HA3 0.626 4.586 3.960 -0.000 0.000 0.302 188 G C -1.198 173.622 174.900 -0.134 0.000 1.159 188 G CA -0.290 44.416 45.100 -0.656 0.000 0.865 188 G HN 0.658 nan 8.290 nan 0.000 0.515 189 F N 3.204 123.089 119.950 -0.108 0.000 3.034 189 F HA 0.329 4.856 4.527 0.000 0.000 0.371 189 F C -0.641 175.128 175.800 -0.052 0.000 1.233 189 F CA -1.127 56.813 58.000 -0.099 0.000 1.134 189 F CB 1.033 39.957 39.000 -0.127 0.000 1.495 189 F HN 0.278 nan 8.300 nan 0.000 0.563 190 L N 5.874 127.305 121.223 0.347 0.000 2.312 190 L HA 0.293 4.633 4.340 -0.000 0.000 0.287 190 L C -0.306 176.724 176.870 0.267 0.000 1.091 190 L CA -0.095 54.882 54.840 0.227 0.000 0.846 190 L CB 0.703 42.870 42.059 0.181 0.000 1.219 190 L HN 0.667 nan 8.230 nan 0.000 0.439 191 E N 4.327 124.624 120.200 0.161 0.000 2.223 191 E HA 0.440 4.790 4.350 -0.000 0.000 0.282 191 E C 0.640 177.285 176.600 0.075 0.000 1.046 191 E CA 0.512 56.994 56.400 0.137 0.000 0.857 191 E CB 0.765 30.394 29.700 -0.119 0.000 1.055 191 E HN 0.773 nan 8.360 nan 0.000 0.409 192 G N 5.284 114.133 108.800 0.081 0.000 2.164 192 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.212 192 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.212 192 G C 0.227 175.159 174.900 0.053 0.000 1.031 192 G CA -0.189 44.937 45.100 0.044 0.000 0.730 192 G HN 0.597 nan 8.290 nan 0.000 0.501 193 I N 1.293 121.903 120.570 0.067 0.000 3.089 193 I HA -0.105 4.065 4.170 -0.000 0.000 0.321 193 I C 1.909 178.059 176.117 0.055 0.000 1.222 193 I CA 1.788 63.138 61.300 0.082 0.000 1.452 193 I CB -0.150 37.898 38.000 0.080 0.000 1.321 193 I HN 0.448 nan 8.210 nan 0.000 0.539 194 T N 0.907 115.496 114.554 0.058 0.000 3.057 194 T HA 0.115 4.465 4.350 -0.000 0.000 0.254 194 T C 0.537 175.252 174.700 0.025 0.000 1.094 194 T CA 0.384 62.505 62.100 0.035 0.000 1.088 194 T CB 0.113 68.999 68.868 0.031 0.000 0.934 194 T HN 0.798 nan 8.240 nan 0.000 0.497 195 S N -0.818 114.900 115.700 0.029 0.000 2.580 195 S HA 0.440 4.910 4.470 -0.000 0.000 0.281 195 S C 0.223 174.842 174.600 0.030 0.000 1.129 195 S CA -1.111 57.101 58.200 0.021 0.000 0.862 195 S CB 1.387 64.587 63.200 0.001 0.000 1.090 195 S HN 0.099 nan 8.310 nan 0.000 0.451 196 R N 0.998 121.519 120.500 0.034 0.000 2.178 196 R HA -0.234 4.106 4.340 -0.000 0.000 0.257 196 R C 2.072 178.384 176.300 0.019 0.000 1.163 196 R CA 2.312 58.437 56.100 0.041 0.000 0.981 196 R CB -0.364 29.956 30.300 0.033 0.000 0.878 196 R HN 0.888 nan 8.270 nan 0.000 0.454 197 E N 0.347 120.543 120.200 -0.007 0.000 2.072 197 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 197 E C 2.023 178.583 176.600 -0.067 0.000 0.985 197 E CA 1.030 57.409 56.400 -0.036 0.000 0.801 197 E CB -0.022 29.649 29.700 -0.049 0.000 0.750 197 E HN 0.269 nan 8.360 nan 0.000 0.452 198 M N 0.240 119.792 119.600 -0.080 0.000 2.159 198 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 198 M C 2.197 178.511 176.300 0.024 0.000 1.063 198 M CA 1.581 56.809 55.300 -0.121 0.000 1.110 198 M CB -0.088 32.448 32.600 -0.107 0.000 1.374 198 M HN 0.212 nan 8.290 nan 0.000 0.411 199 A N 0.796 123.665 122.820 0.083 0.000 1.908 199 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 199 A C 2.109 179.713 177.584 0.034 0.000 1.181 199 A CA 1.904 54.043 52.037 0.170 0.000 0.627 199 A CB -0.676 18.469 19.000 0.241 0.000 0.818 199 A HN 0.590 nan 8.150 nan 0.000 0.445 200 R N -1.343 119.153 120.500 -0.006 0.000 2.066 200 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 200 R C 2.464 178.742 176.300 -0.038 0.000 1.131 200 R CA 1.267 57.337 56.100 -0.050 0.000 0.955 200 R CB -0.259 30.020 30.300 -0.036 0.000 0.851 200 R HN 0.481 nan 8.270 nan 0.000 0.432 201 Q N 0.296 120.084 119.800 -0.020 0.000 2.170 201 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 201 Q C 2.166 178.241 176.000 0.126 0.000 0.976 201 Q CA 1.107 56.919 55.803 0.015 0.000 0.858 201 Q CB -0.286 28.404 28.738 -0.080 0.000 0.907 201 Q HN 0.189 nan 8.270 nan 0.000 0.433 202 V N 0.697 120.715 119.914 0.173 0.000 2.270 202 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 202 V C 2.207 178.356 176.094 0.091 0.000 1.043 202 V CA 1.264 63.703 62.300 0.232 0.000 1.014 202 V CB -0.322 31.672 31.823 0.285 0.000 0.645 202 V HN 0.260 nan 8.190 nan 0.000 0.447 203 I N 0.147 120.689 120.570 -0.047 0.000 2.151 203 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 203 I C 2.613 178.708 176.117 -0.037 0.000 1.080 203 I CA 2.432 63.648 61.300 -0.139 0.000 1.339 203 I CB -0.514 37.272 38.000 -0.357 0.000 1.039 203 I HN 0.501 nan 8.210 nan 0.000 0.409 204 Q N 0.950 120.739 119.800 -0.019 0.000 2.084 204 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 204 Q C 1.510 177.540 176.000 0.050 0.000 0.978 204 Q CA 2.030 57.840 55.803 0.011 0.000 0.844 204 Q CB -0.053 28.689 28.738 0.007 0.000 0.898 204 Q HN 0.399 nan 8.270 nan 0.000 0.426 205 D N 0.029 120.481 120.400 0.085 0.000 2.348 205 D HA 0.012 4.652 4.640 -0.000 0.000 0.216 205 D C 0.289 176.653 176.300 0.106 0.000 0.970 205 D CA 0.718 54.779 54.000 0.102 0.000 0.889 205 D CB 0.305 41.194 40.800 0.147 0.000 0.912 205 D HN 0.346 nan 8.370 nan 0.000 0.524 206 L N -0.032 121.269 121.223 0.130 0.000 3.186 206 L HA 0.447 4.787 4.340 -0.000 0.000 0.292 206 L C 0.374 177.352 176.870 0.180 0.000 1.303 206 L CA -0.695 54.262 54.840 0.195 0.000 0.940 206 L CB 0.579 42.848 42.059 0.351 0.000 1.358 206 L HN -0.231 nan 8.230 nan 0.000 0.581 207 A N 0.095 122.977 122.820 0.103 0.000 2.583 207 A HA 0.393 4.713 4.320 -0.000 0.000 0.231 207 A C 1.592 179.247 177.584 0.118 0.000 1.065 207 A CA 1.156 53.241 52.037 0.079 0.000 0.760 207 A CB -0.125 18.901 19.000 0.044 0.000 1.001 207 A HN 0.840 nan 8.150 nan 0.000 0.509 208 G N -0.118 108.740 108.800 0.097 0.000 2.674 208 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.236 208 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.236 208 G C 0.286 175.303 174.900 0.196 0.000 1.178 208 G CA 0.839 46.009 45.100 0.115 0.000 0.721 208 G HN 1.571 nan 8.290 nan 0.000 0.515 209 W N 4.844 126.146 121.300 0.004 0.000 2.446 209 W HA 0.593 5.253 4.660 -0.000 0.000 0.316 209 W C -2.019 174.510 176.519 0.016 0.000 1.376 209 W CA -2.225 55.126 57.345 0.010 0.000 1.300 209 W CB 0.194 29.662 29.460 0.012 0.000 1.351 209 W HN 0.149 nan 8.180 nan 0.000 0.530 210 P HA 0.106 nan 4.420 nan 0.000 0.268 210 P C -0.749 176.245 177.300 -0.510 0.000 1.204 210 P CA 0.478 63.389 63.100 -0.316 0.000 0.768 210 P CB 0.496 32.047 31.700 -0.247 0.000 0.842 211 L N 2.542 123.625 121.223 -0.234 0.000 2.283 211 L HA 0.684 5.024 4.340 -0.000 0.000 0.259 211 L C -0.404 176.450 176.870 -0.026 0.000 1.027 211 L CA -1.122 53.628 54.840 -0.150 0.000 0.828 211 L CB 1.857 43.945 42.059 0.048 0.000 1.380 211 L HN 0.224 nan 8.230 nan 0.000 0.425 212 L N 2.485 123.596 121.223 -0.185 0.000 2.441 212 L HA 0.527 4.867 4.340 -0.000 0.000 0.270 212 L C -1.474 174.947 176.870 -0.748 0.000 0.973 212 L CA -0.652 53.903 54.840 -0.475 0.000 0.842 212 L CB 1.936 43.656 42.059 -0.565 0.000 1.239 212 L HN 0.542 nan 8.230 nan 0.000 0.406 213 L N 4.716 125.384 121.223 -0.925 0.000 2.292 213 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 213 L C -0.513 175.874 176.870 -0.805 0.000 1.065 213 L CA 0.205 54.469 54.840 -0.959 0.000 0.806 213 L CB 1.204 42.495 42.059 -1.281 0.000 1.175 213 L HN 0.699 nan 8.230 nan 0.000 0.431 214 N N 5.557 123.859 118.700 -0.664 0.000 2.426 214 N HA 0.293 5.033 4.740 -0.000 0.000 0.257 214 N C -1.115 174.193 175.510 -0.336 0.000 1.002 214 N CA -0.286 52.455 53.050 -0.514 0.000 0.942 214 N CB 0.688 39.009 38.487 -0.277 0.000 1.112 214 N HN 0.612 nan 8.380 nan 0.000 0.499 215 M N 4.360 123.751 119.600 -0.348 0.000 2.103 215 M HA 0.271 4.751 4.480 -0.000 0.000 0.350 215 M C -1.170 175.110 176.300 -0.032 0.000 1.100 215 M CA -0.691 54.510 55.300 -0.166 0.000 1.042 215 M CB 0.483 33.019 32.600 -0.106 0.000 1.368 215 M HN 0.180 nan 8.290 nan 0.000 0.404 216 V N 4.558 124.437 119.914 -0.058 0.000 2.357 216 V HA 0.268 4.388 4.120 -0.000 0.000 0.284 216 V C 0.434 176.439 176.094 -0.149 0.000 1.018 216 V CA -0.847 61.408 62.300 -0.075 0.000 0.841 216 V CB 1.426 33.188 31.823 -0.102 0.000 0.991 216 V HN 0.673 nan 8.190 nan 0.000 0.437 217 E N 3.963 124.021 120.200 -0.236 0.000 2.409 217 E HA 0.196 4.546 4.350 -0.000 0.000 0.257 217 E C 0.108 176.417 176.600 -0.485 0.000 1.150 217 E CA -0.315 55.843 56.400 -0.405 0.000 0.942 217 E CB 0.116 29.440 29.700 -0.627 0.000 0.979 217 E HN 0.811 nan 8.360 nan 0.000 0.447 218 H N -1.620 117.428 119.070 -0.036 0.000 2.791 218 H HA -0.153 4.403 4.556 -0.000 0.000 0.302 218 H C 0.135 175.427 175.328 -0.060 0.000 1.198 218 H CA 0.868 56.888 56.048 -0.047 0.000 1.145 218 H CB -2.068 27.662 29.762 -0.054 0.000 1.385 218 H HN 0.690 nan 8.280 nan 0.000 0.409 219 G N -1.537 107.270 108.800 0.012 0.000 3.135 219 G HA2 0.620 4.580 3.960 -0.000 0.000 0.278 219 G HA3 0.620 4.580 3.960 -0.000 0.000 0.278 219 G C 0.922 175.823 174.900 0.000 0.000 1.302 219 G CA -0.200 44.894 45.100 -0.009 0.000 0.880 219 G HN 0.353 nan 8.290 nan 0.000 0.574 220 A N -0.908 121.909 122.820 -0.004 0.000 1.940 220 A HA 0.022 4.342 4.320 -0.000 0.000 0.221 220 A C 1.509 179.098 177.584 0.008 0.000 1.190 220 A CA 2.191 54.230 52.037 0.005 0.000 0.647 220 A CB -0.970 18.034 19.000 0.007 0.000 0.821 220 A HN 0.564 nan 8.150 nan 0.000 0.457 221 T N 2.269 116.822 114.554 -0.001 0.000 2.743 221 T HA 0.459 4.809 4.350 -0.000 0.000 0.293 221 T C -2.445 172.257 174.700 0.003 0.000 0.945 221 T CA -1.090 61.008 62.100 -0.003 0.000 1.030 221 T CB 1.330 70.180 68.868 -0.030 0.000 0.912 221 T HN 0.233 nan 8.240 nan 0.000 0.483 222 P HA 0.179 nan 4.420 nan 0.000 0.272 222 P C -0.713 176.603 177.300 0.026 0.000 1.230 222 P CA -0.619 62.497 63.100 0.025 0.000 0.788 222 P CB 0.405 32.121 31.700 0.028 0.000 0.949 223 S N 1.197 116.920 115.700 0.039 0.000 2.405 223 S HA 0.413 4.883 4.470 -0.000 0.000 0.291 223 S C 0.337 174.971 174.600 0.056 0.000 1.137 223 S CA -0.600 57.627 58.200 0.046 0.000 1.061 223 S CB -0.637 62.595 63.200 0.053 0.000 1.001 223 S HN 0.254 nan 8.310 nan 0.000 0.507 224 I N 3.201 123.806 120.570 0.059 0.000 2.354 224 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 224 I C 0.744 176.934 176.117 0.121 0.000 0.989 224 I CA -0.405 60.939 61.300 0.072 0.000 1.188 224 I CB 1.777 39.811 38.000 0.056 0.000 1.342 224 I HN 0.736 nan 8.210 nan 0.000 0.457 225 S N 4.957 120.730 115.700 0.121 0.000 2.652 225 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 225 S C 1.164 175.877 174.600 0.189 0.000 1.243 225 S CA -0.064 58.237 58.200 0.168 0.000 0.999 225 S CB 1.731 64.991 63.200 0.100 0.000 0.973 225 S HN 0.725 nan 8.310 nan 0.000 0.544 226 A N 2.882 125.873 122.820 0.285 0.000 1.848 226 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 226 A C 2.543 180.132 177.584 0.009 0.000 1.220 226 A CA 2.691 54.901 52.037 0.288 0.000 0.645 226 A CB -1.993 17.235 19.000 0.380 0.000 0.842 226 A HN 1.741 nan 8.150 nan 0.000 0.451 227 A N -0.616 122.193 122.820 -0.019 0.000 1.929 227 A HA -0.347 3.973 4.320 -0.000 0.000 0.221 227 A C 2.079 179.592 177.584 -0.118 0.000 1.211 227 A CA 2.618 54.591 52.037 -0.106 0.000 0.657 227 A CB -0.844 18.130 19.000 -0.043 0.000 0.827 227 A HN 0.783 nan 8.150 nan 0.000 0.462 228 E N -0.596 119.585 120.200 -0.031 0.000 2.047 228 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 228 E C 2.162 178.775 176.600 0.021 0.000 0.987 228 E CA 1.076 57.476 56.400 -0.000 0.000 0.799 228 E CB -0.307 29.418 29.700 0.041 0.000 0.752 228 E HN 0.561 nan 8.360 nan 0.000 0.449 229 A N 1.437 124.299 122.820 0.070 0.000 1.933 229 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 229 A C 2.119 179.795 177.584 0.153 0.000 1.175 229 A CA 1.658 53.845 52.037 0.251 0.000 0.628 229 A CB -0.500 18.692 19.000 0.321 0.000 0.814 229 A HN 0.208 nan 8.150 nan 0.000 0.444 230 K N -0.061 120.114 120.400 -0.375 0.000 2.009 230 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 230 K C 1.811 178.299 176.600 -0.185 0.000 1.049 230 K CA 1.875 57.793 56.287 -0.614 0.000 0.929 230 K CB -0.234 31.631 32.500 -1.058 0.000 0.714 230 K HN 0.626 nan 8.250 nan 0.000 0.440 231 E N -0.022 120.093 120.200 -0.142 0.000 2.333 231 E HA -0.179 4.170 4.350 -0.000 0.000 0.198 231 E C 1.978 178.550 176.600 -0.046 0.000 1.007 231 E CA 0.990 57.345 56.400 -0.076 0.000 0.845 231 E CB 0.006 29.673 29.700 -0.056 0.000 0.766 231 E HN 0.404 nan 8.360 nan 0.000 0.507 232 M N -1.495 118.090 119.600 -0.025 0.000 2.216 232 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 232 M C 1.535 177.753 176.300 -0.137 0.000 1.080 232 M CA 1.527 56.794 55.300 -0.054 0.000 1.153 232 M CB 0.523 33.124 32.600 0.002 0.000 1.356 232 M HN 0.336 nan 8.290 nan 0.000 0.432 233 G N -0.938 107.777 108.800 -0.141 0.000 3.288 233 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 233 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 233 G C -0.168 174.618 174.900 -0.189 0.000 0.944 233 G CA -0.732 44.260 45.100 -0.179 0.000 0.854 233 G HN 0.242 nan 8.290 nan 0.000 0.632 234 F N 1.060 121.080 119.950 0.116 0.000 2.410 234 F HA 0.581 5.108 4.527 -0.000 0.000 0.334 234 F C 1.819 177.756 175.800 0.228 0.000 1.134 234 F CA -0.520 57.556 58.000 0.126 0.000 1.227 234 F CB 0.876 39.958 39.000 0.136 0.000 1.194 234 F HN -0.190 nan 8.300 nan 0.000 0.571 235 R N 1.062 121.692 120.500 0.216 0.000 2.191 235 R HA 0.321 4.661 4.340 -0.000 0.000 0.196 235 R C -0.369 175.652 176.300 -0.466 0.000 0.991 235 R CA 0.437 56.521 56.100 -0.026 0.000 1.075 235 R CB 0.022 30.290 30.300 -0.053 0.000 1.040 235 R HN 0.419 nan 8.270 nan 0.000 0.526 236 I N 0.122 120.410 120.570 -0.471 0.000 2.828 236 I HA 0.432 4.602 4.170 -0.000 0.000 0.302 236 I C -0.709 175.012 176.117 -0.661 0.000 1.101 236 I CA -0.877 60.029 61.300 -0.657 0.000 1.031 236 I CB 2.621 40.369 38.000 -0.420 0.000 1.231 236 I HN -0.154 nan 8.210 nan 0.000 0.427 237 I N 5.523 125.687 120.570 -0.677 0.000 2.533 237 I HA 0.617 4.787 4.170 -0.000 0.000 0.290 237 I C -1.145 174.531 176.117 -0.735 0.000 1.056 237 I CA -0.642 60.268 61.300 -0.650 0.000 1.057 237 I CB 1.235 38.972 38.000 -0.437 0.000 1.240 237 I HN 0.601 nan 8.210 nan 0.000 0.423 238 I N 3.099 123.167 120.570 -0.835 0.000 2.648 238 I HA 0.522 4.692 4.170 -0.000 0.000 0.304 238 I C -1.412 174.197 176.117 -0.845 0.000 1.009 238 I CA -0.478 60.374 61.300 -0.747 0.000 1.114 238 I CB 1.885 39.443 38.000 -0.737 0.000 1.293 238 I HN 0.474 nan 8.210 nan 0.000 0.449 239 F N 3.231 123.099 119.950 -0.137 0.000 2.530 239 F HA 0.414 4.941 4.527 -0.000 0.000 0.318 239 F C -1.871 173.949 175.800 0.033 0.000 1.356 239 F CA -1.479 56.486 58.000 -0.058 0.000 1.135 239 F CB 0.681 39.651 39.000 -0.050 0.000 1.315 239 F HN 0.340 nan 8.300 nan 0.000 0.549 240 P HA -0.212 nan 4.420 nan 0.000 0.220 240 P C 1.327 178.815 177.300 0.313 0.000 1.144 240 P CA 1.486 64.765 63.100 0.298 0.000 0.800 240 P CB 0.027 31.900 31.700 0.288 0.000 0.772 241 F N -0.882 119.135 119.950 0.112 0.000 2.714 241 F HA 0.333 4.860 4.527 0.000 0.000 0.294 241 F C 2.122 177.957 175.800 0.059 0.000 1.120 241 F CA 0.272 58.310 58.000 0.063 0.000 1.398 241 F CB -0.621 38.395 39.000 0.026 0.000 1.120 241 F HN -0.167 nan 8.300 nan 0.000 0.589 242 A N 0.732 123.648 122.820 0.161 0.000 1.925 242 A HA -0.431 3.889 4.320 -0.000 0.000 0.244 242 A C 2.263 179.850 177.584 0.005 0.000 1.963 242 A CA 3.127 55.196 52.037 0.054 0.000 0.753 242 A CB -1.514 17.503 19.000 0.028 0.000 0.842 242 A HN 0.463 nan 8.150 nan 0.000 0.530 243 A N -2.508 120.308 122.820 -0.007 0.000 2.055 243 A HA 0.501 4.821 4.320 -0.000 0.000 0.205 243 A C 2.035 179.603 177.584 -0.027 0.000 1.235 243 A CA 0.662 52.721 52.037 0.038 0.000 0.822 243 A CB -0.214 18.872 19.000 0.145 0.000 0.903 243 A HN 0.418 nan 8.150 nan 0.000 0.473 244 L N -0.090 120.947 121.223 -0.309 0.000 2.017 244 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 244 L C 2.811 179.375 176.870 -0.510 0.000 1.073 244 L CA 1.222 55.686 54.840 -0.626 0.000 0.745 244 L CB -0.740 40.629 42.059 -1.150 0.000 0.894 244 L HN 0.470 nan 8.230 nan 0.000 0.432 245 G N 0.490 108.982 108.800 -0.514 0.000 2.545 245 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 245 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 245 G C -0.640 174.261 174.900 0.001 0.000 1.218 245 G CA 0.964 46.035 45.100 -0.048 0.000 0.787 245 G HN 0.293 nan 8.290 nan 0.000 0.571 246 P HA -0.125 nan 4.420 nan 0.000 0.214 246 P C 2.314 179.619 177.300 0.009 0.000 1.163 246 P CA 2.306 65.417 63.100 0.018 0.000 0.889 246 P CB -0.298 31.415 31.700 0.021 0.000 0.790 247 A N -0.806 122.015 122.820 0.001 0.000 1.927 247 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 247 A C 2.372 179.957 177.584 0.001 0.000 1.185 247 A CA 2.414 54.462 52.037 0.020 0.000 0.639 247 A CB -1.803 17.233 19.000 0.060 0.000 0.820 247 A HN 0.071 nan 8.150 nan 0.000 0.451 248 V N -0.530 119.367 119.914 -0.029 0.000 2.283 248 V HA -0.173 3.947 4.120 -0.000 0.000 0.243 248 V C 3.066 179.171 176.094 0.018 0.000 1.039 248 V CA 1.850 64.144 62.300 -0.009 0.000 1.016 248 V CB -1.285 30.528 31.823 -0.017 0.000 0.650 248 V HN 0.638 nan 8.190 nan 0.000 0.449 249 A N 0.061 122.899 122.820 0.031 0.000 1.908 249 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 249 A C 2.384 179.984 177.584 0.025 0.000 1.181 249 A CA 2.346 54.404 52.037 0.035 0.000 0.627 249 A CB -0.765 18.262 19.000 0.044 0.000 0.818 249 A HN 0.581 nan 8.150 nan 0.000 0.445 250 A N -0.813 122.020 122.820 0.022 0.000 1.897 250 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 250 A C 2.240 179.833 177.584 0.015 0.000 1.181 250 A CA 1.649 53.696 52.037 0.018 0.000 0.620 250 A CB -0.485 18.525 19.000 0.016 0.000 0.821 250 A HN 0.512 nan 8.150 nan 0.000 0.443 251 M N -1.335 118.275 119.600 0.016 0.000 2.229 251 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 251 M C 2.337 178.646 176.300 0.015 0.000 1.063 251 M CA 1.434 56.743 55.300 0.015 0.000 1.114 251 M CB -0.254 32.356 32.600 0.018 0.000 1.387 251 M HN 0.454 nan 8.290 nan 0.000 0.420 252 R N 0.747 121.257 120.500 0.017 0.000 2.073 252 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 252 R C 1.811 178.120 176.300 0.015 0.000 1.134 252 R CA 1.836 57.947 56.100 0.018 0.000 0.952 252 R CB -0.039 30.274 30.300 0.022 0.000 0.850 252 R HN 0.442 nan 8.270 nan 0.000 0.433 253 E N -0.383 119.826 120.200 0.015 0.000 2.076 253 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 253 E C 1.988 178.594 176.600 0.010 0.000 0.979 253 E CA 0.801 57.209 56.400 0.012 0.000 0.807 253 E CB -0.086 29.621 29.700 0.013 0.000 0.761 253 E HN 0.417 nan 8.360 nan 0.000 0.454 254 A N 1.518 124.343 122.820 0.009 0.000 1.917 254 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 254 A C 2.175 179.762 177.584 0.006 0.000 1.182 254 A CA 1.512 53.552 52.037 0.006 0.000 0.633 254 A CB -0.358 18.645 19.000 0.005 0.000 0.819 254 A HN 0.137 nan 8.150 nan 0.000 0.448 255 M N -0.321 119.284 119.600 0.008 0.000 2.236 255 M HA -0.076 4.404 4.480 -0.000 0.000 0.266 255 M C 1.998 178.303 176.300 0.008 0.000 1.070 255 M CA 1.146 56.451 55.300 0.009 0.000 1.137 255 M CB -1.162 31.444 32.600 0.011 0.000 1.378 255 M HN 0.541 nan 8.290 nan 0.000 0.426 256 E N 0.788 120.993 120.200 0.009 0.000 2.038 256 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 256 E C 1.943 178.547 176.600 0.006 0.000 1.000 256 E CA 1.078 57.483 56.400 0.008 0.000 0.803 256 E CB -0.606 29.099 29.700 0.009 0.000 0.750 256 E HN 0.489 nan 8.360 nan 0.000 0.448 257 K N 0.403 120.807 120.400 0.006 0.000 2.052 257 K HA -0.216 4.104 4.320 -0.000 0.000 0.215 257 K C 2.307 178.909 176.600 0.003 0.000 1.053 257 K CA 1.535 57.824 56.287 0.004 0.000 0.934 257 K CB -0.389 32.113 32.500 0.003 0.000 0.717 257 K HN 0.016 nan 8.250 nan 0.000 0.450 258 L N 1.845 123.070 121.223 0.003 0.000 1.970 258 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 258 L C 2.210 179.082 176.870 0.004 0.000 1.071 258 L CA 1.994 56.836 54.840 0.003 0.000 0.751 258 L CB -0.743 41.318 42.059 0.003 0.000 0.889 258 L HN 0.023 nan 8.230 nan 0.000 0.432 259 K N -0.462 119.941 120.400 0.005 0.000 2.107 259 K HA -0.266 4.054 4.320 -0.000 0.000 0.211 259 K C 2.398 179.001 176.600 0.004 0.000 1.049 259 K CA 2.104 58.394 56.287 0.005 0.000 0.927 259 K CB -0.274 32.230 32.500 0.006 0.000 0.714 259 K HN 0.287 nan 8.250 nan 0.000 0.452 260 R N -0.495 120.008 120.500 0.004 0.000 2.090 260 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 260 R C 1.220 177.522 176.300 0.003 0.000 1.110 260 R CA 1.758 57.860 56.100 0.004 0.000 0.973 260 R CB 0.118 30.420 30.300 0.004 0.000 0.869 260 R HN 0.281 nan 8.270 nan 0.000 0.440 261 D N -2.021 118.381 120.400 0.002 0.000 2.324 261 D HA 0.126 4.766 4.640 -0.000 0.000 0.212 261 D C 0.997 177.298 176.300 0.001 0.000 0.984 261 D CA 1.126 55.127 54.000 0.002 0.000 0.885 261 D CB 0.648 41.448 40.800 0.001 0.000 0.996 261 D HN 0.380 nan 8.370 nan 0.000 0.505 262 G N 1.221 110.022 108.800 0.002 0.000 2.143 262 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.249 262 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.249 262 G C 0.259 175.160 174.900 0.001 0.000 0.981 262 G CA 0.439 45.540 45.100 0.002 0.000 0.665 262 G HN 0.396 nan 8.290 nan 0.000 0.528 263 I N -0.960 119.610 120.570 0.000 0.000 2.752 263 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 263 I C -2.133 173.982 176.117 -0.002 0.000 1.507 263 I CA -1.913 59.386 61.300 -0.001 0.000 1.038 263 I CB 1.760 39.758 38.000 -0.002 0.000 1.390 263 I HN -0.092 nan 8.210 nan 0.000 0.435 264 P HA 0.128 nan 4.420 nan 0.000 0.222 264 P C 0.824 178.120 177.300 -0.006 0.000 1.153 264 P CA 1.306 64.403 63.100 -0.005 0.000 0.798 264 P CB 0.219 31.914 31.700 -0.007 0.000 0.796 265 G N -0.359 108.436 108.800 -0.008 0.000 2.249 265 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.273 265 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.273 265 G C 0.049 174.942 174.900 -0.011 0.000 1.036 265 G CA -0.221 44.874 45.100 -0.008 0.000 0.824 265 G HN 0.310 nan 8.290 nan 0.000 0.504 266 L N 1.132 122.346 121.223 -0.015 0.000 2.605 266 L HA 0.128 4.468 4.340 -0.000 0.000 0.296 266 L C 1.301 178.159 176.870 -0.020 0.000 1.255 266 L CA 0.848 55.676 54.840 -0.020 0.000 0.879 266 L CB 0.367 42.409 42.059 -0.028 0.000 1.124 266 L HN 0.556 nan 8.230 nan 0.000 0.507 267 D N 3.431 123.819 120.400 -0.021 0.000 2.340 267 D HA 0.080 4.720 4.640 -0.000 0.000 0.251 267 D C 0.052 176.337 176.300 -0.026 0.000 1.080 267 D CA -0.718 53.270 54.000 -0.020 0.000 0.971 267 D CB 1.041 41.832 40.800 -0.015 0.000 1.137 267 D HN 0.578 nan 8.370 nan 0.000 0.475 268 K N -0.405 119.981 120.400 -0.023 0.000 2.476 268 K HA -0.003 4.317 4.320 -0.000 0.000 0.196 268 K C 1.343 177.925 176.600 -0.030 0.000 1.025 268 K CA -0.069 56.202 56.287 -0.027 0.000 1.138 268 K CB 0.229 32.716 32.500 -0.022 0.000 0.860 268 K HN 0.476 nan 8.250 nan 0.000 0.515 269 E N 1.765 121.948 120.200 -0.029 0.000 2.047 269 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 269 E C 0.588 177.161 176.600 -0.045 0.000 0.987 269 E CA 0.699 57.081 56.400 -0.031 0.000 0.799 269 E CB 0.014 29.699 29.700 -0.025 0.000 0.752 269 E HN 0.411 nan 8.360 nan 0.000 0.449 270 M N 2.502 122.072 119.600 -0.051 0.000 3.593 270 M HA 0.030 4.510 4.480 -0.000 0.000 0.204 270 M C -0.024 176.220 176.300 -0.095 0.000 1.569 270 M CA 0.162 55.418 55.300 -0.074 0.000 1.694 270 M CB 0.059 32.618 32.600 -0.069 0.000 1.149 270 M HN -0.117 nan 8.290 nan 0.000 0.552 271 T N 1.339 115.834 114.554 -0.098 0.000 2.913 271 T HA 0.131 4.481 4.350 -0.000 0.000 0.297 271 T C -1.420 173.156 174.700 -0.206 0.000 1.029 271 T CA -1.445 60.587 62.100 -0.114 0.000 1.104 271 T CB 1.113 69.934 68.868 -0.078 0.000 0.964 271 T HN 0.263 nan 8.240 nan 0.000 0.532 272 P HA -0.137 nan 4.420 nan 0.000 0.217 272 P C 1.370 178.259 177.300 -0.685 0.000 1.151 272 P CA 1.196 63.977 63.100 -0.532 0.000 0.849 272 P CB 0.206 31.727 31.700 -0.298 0.000 0.787 273 Q N -1.408 118.249 119.800 -0.238 0.000 2.030 273 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 273 Q C 2.221 178.166 176.000 -0.091 0.000 0.986 273 Q CA 1.542 57.308 55.803 -0.061 0.000 0.843 273 Q CB -1.130 27.606 28.738 -0.004 0.000 0.904 273 Q HN 0.192 nan 8.270 nan 0.000 0.420 274 M N -0.035 119.495 119.600 -0.116 0.000 2.108 274 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 274 M C 1.796 178.031 176.300 -0.108 0.000 1.066 274 M CA 1.673 56.921 55.300 -0.087 0.000 1.107 274 M CB -0.397 32.156 32.600 -0.078 0.000 1.356 274 M HN 0.313 nan 8.290 nan 0.000 0.406 275 L N -0.770 120.320 121.223 -0.221 0.000 2.056 275 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 275 L C 2.371 179.194 176.870 -0.078 0.000 1.078 275 L CA 1.293 56.013 54.840 -0.200 0.000 0.749 275 L CB -0.754 41.127 42.059 -0.297 0.000 0.901 275 L HN 0.213 nan 8.230 nan 0.000 0.433 276 F N -0.321 119.607 119.950 -0.036 0.000 2.126 276 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 276 F C 2.802 178.569 175.800 -0.055 0.000 1.096 276 F CA 0.708 58.679 58.000 -0.047 0.000 1.255 276 F CB -0.330 38.639 39.000 -0.052 0.000 0.997 276 F HN -0.048 nan 8.300 nan 0.000 0.479 277 R N 0.458 121.026 120.500 0.112 0.000 2.103 277 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 277 R C 2.063 178.376 176.300 0.022 0.000 1.142 277 R CA 1.552 57.675 56.100 0.040 0.000 0.960 277 R CB -0.586 29.719 30.300 0.010 0.000 0.858 277 R HN 0.144 nan 8.270 nan 0.000 0.439 278 V N -0.523 119.401 119.914 0.017 0.000 2.453 278 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 278 V C 1.714 177.815 176.094 0.011 0.000 1.068 278 V CA 1.371 63.675 62.300 0.007 0.000 1.070 278 V CB -0.346 31.476 31.823 -0.001 0.000 0.664 278 V HN 0.464 nan 8.190 nan 0.000 0.461 279 C N 0.789 120.109 119.300 0.034 0.000 2.589 279 C HA 0.597 5.057 4.460 -0.000 0.000 0.307 279 C C 1.705 176.698 174.990 0.004 0.000 1.328 279 C CA 0.091 59.123 59.018 0.023 0.000 1.742 279 C CB -1.134 26.640 27.740 0.056 0.000 2.037 279 C HN 0.867 nan 8.230 nan 0.000 0.592 280 G N 1.089 109.888 108.800 -0.002 0.000 2.131 280 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.223 280 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.223 280 G C 0.715 175.583 174.900 -0.053 0.000 0.990 280 G CA 0.414 45.498 45.100 -0.027 0.000 0.671 280 G HN 0.478 nan 8.290 nan 0.000 0.521 281 L N 0.578 121.777 121.223 -0.040 0.000 2.064 281 L HA -0.110 4.230 4.340 -0.000 0.000 0.216 281 L C 2.238 179.017 176.870 -0.152 0.000 1.077 281 L CA 3.252 58.033 54.840 -0.098 0.000 0.766 281 L CB -0.223 41.824 42.059 -0.020 0.000 0.890 281 L HN 0.360 nan 8.230 nan 0.000 0.435 282 D N -0.827 119.515 120.400 -0.096 0.000 2.103 282 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 282 D C 2.026 178.272 176.300 -0.089 0.000 0.978 282 D CA 1.289 55.230 54.000 -0.099 0.000 0.829 282 D CB -0.191 40.575 40.800 -0.057 0.000 0.981 282 D HN 0.416 nan 8.370 nan 0.000 0.464 283 E N 0.864 121.026 120.200 -0.063 0.000 2.204 283 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 283 E C 2.132 178.701 176.600 -0.053 0.000 0.990 283 E CA 0.530 56.903 56.400 -0.045 0.000 0.821 283 E CB -0.272 29.409 29.700 -0.032 0.000 0.750 283 E HN 0.051 nan 8.360 nan 0.000 0.477 284 S N 0.180 115.828 115.700 -0.087 0.000 2.338 284 S HA -0.076 4.394 4.470 -0.000 0.000 0.218 284 S C 1.879 176.410 174.600 -0.115 0.000 1.032 284 S CA 1.084 59.226 58.200 -0.095 0.000 0.999 284 S CB -0.206 62.910 63.200 -0.140 0.000 0.905 284 S HN 0.232 nan 8.310 nan 0.000 0.439 285 M N 1.334 120.766 119.600 -0.280 0.000 2.346 285 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 285 M C 2.059 178.347 176.300 -0.019 0.000 1.064 285 M CA 1.258 56.319 55.300 -0.398 0.000 1.083 285 M CB -0.333 31.906 32.600 -0.603 0.000 1.399 285 M HN 0.361 nan 8.290 nan 0.000 0.435 286 K N -0.515 119.872 120.400 -0.022 0.000 2.166 286 K HA 0.043 4.363 4.320 -0.000 0.000 0.201 286 K C 1.508 178.134 176.600 0.042 0.000 1.052 286 K CA 0.635 56.937 56.287 0.024 0.000 0.969 286 K CB -0.543 31.959 32.500 0.003 0.000 0.761 286 K HN 0.018 nan 8.250 nan 0.000 0.459 287 V N 3.082 123.015 119.914 0.032 0.000 2.277 287 V HA -0.361 3.759 4.120 -0.000 0.000 0.255 287 V C 2.426 178.563 176.094 0.072 0.000 1.074 287 V CA 2.498 64.824 62.300 0.042 0.000 1.058 287 V CB -0.707 31.135 31.823 0.031 0.000 0.656 287 V HN 0.607 nan 8.190 nan 0.000 0.449 288 D N -0.270 120.212 120.400 0.136 0.000 2.137 288 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 288 D C 2.154 178.518 176.300 0.107 0.000 0.970 288 D CA 1.336 55.429 54.000 0.155 0.000 0.837 288 D CB 0.207 41.190 40.800 0.306 0.000 0.981 288 D HN 0.415 nan 8.370 nan 0.000 0.475 289 A N 0.637 123.539 122.820 0.137 0.000 1.972 289 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 289 A C 2.193 179.806 177.584 0.048 0.000 1.169 289 A CA 1.204 53.291 52.037 0.085 0.000 0.635 289 A CB -0.513 18.546 19.000 0.098 0.000 0.810 289 A HN 0.314 nan 8.150 nan 0.000 0.446 290 Q N -1.145 118.682 119.800 0.046 0.000 2.245 290 Q HA 0.080 4.420 4.340 -0.000 0.000 0.201 290 Q C 1.959 177.972 176.000 0.021 0.000 0.955 290 Q CA 0.878 56.699 55.803 0.029 0.000 0.870 290 Q CB -0.173 28.580 28.738 0.026 0.000 0.945 290 Q HN 0.657 nan 8.270 nan 0.000 0.461 291 A N -0.232 122.602 122.820 0.023 0.000 2.259 291 A HA 0.308 4.628 4.320 -0.000 0.000 0.208 291 A C 1.134 178.722 177.584 0.006 0.000 1.201 291 A CA 0.718 52.763 52.037 0.013 0.000 0.824 291 A CB -0.211 18.796 19.000 0.013 0.000 0.838 291 A HN 0.399 nan 8.150 nan 0.000 0.485 292 G N -1.513 107.292 108.800 0.008 0.000 2.164 292 G HA2 0.063 4.023 3.960 -0.000 0.000 0.212 292 G HA3 0.063 4.023 3.960 -0.000 0.000 0.212 292 G C 0.481 175.374 174.900 -0.012 0.000 1.031 292 G CA 0.052 45.151 45.100 -0.001 0.000 0.730 292 G HN 1.273 nan 8.290 nan 0.000 0.501 293 G N -1.374 107.418 108.800 -0.013 0.000 2.451 293 G HA2 0.741 4.701 3.960 -0.000 0.000 0.303 293 G HA3 0.741 4.701 3.960 -0.000 0.000 0.303 293 G C 0.690 175.550 174.900 -0.067 0.000 1.166 293 G CA 0.093 45.164 45.100 -0.049 0.000 0.884 293 G HN 1.460 nan 8.290 nan 0.000 0.514 294 A N 0.119 122.870 122.820 -0.114 0.000 2.538 294 A HA 0.600 4.920 4.320 -0.000 0.000 0.269 294 A C 1.846 179.305 177.584 -0.209 0.000 1.231 294 A CA 0.964 52.933 52.037 -0.114 0.000 0.948 294 A CB 0.112 19.064 19.000 -0.080 0.000 1.110 294 A HN 1.091 nan 8.150 nan 0.000 0.529 295 A N -0.521 122.059 122.820 -0.400 0.000 2.066 295 A HA 0.263 4.583 4.320 -0.000 0.000 0.218 295 A C 0.820 177.875 177.584 -0.881 0.000 1.157 295 A CA 0.898 52.496 52.037 -0.730 0.000 0.670 295 A CB -0.477 17.879 19.000 -1.074 0.000 0.804 295 A HN 0.526 nan 8.150 nan 0.000 0.453 296 F N 0.211 120.156 119.950 -0.009 0.000 2.881 296 F HA 0.253 4.780 4.527 -0.000 0.000 0.343 296 F C -0.740 175.059 175.800 -0.001 0.000 1.233 296 F CA -1.343 56.654 58.000 -0.005 0.000 1.262 296 F CB 0.225 39.222 39.000 -0.006 0.000 0.980 296 F HN -0.100 nan 8.300 nan 0.000 0.506 297 D N 1.141 121.583 120.400 0.071 0.000 2.450 297 D HA 0.252 4.892 4.640 -0.000 0.000 0.247 297 D C 1.213 177.550 176.300 0.062 0.000 1.162 297 D CA 0.994 55.026 54.000 0.054 0.000 0.879 297 D CB 1.007 41.814 40.800 0.011 0.000 1.163 297 D HN 0.542 nan 8.370 nan 0.000 0.472 298 G N 2.341 111.176 108.800 0.058 0.000 2.390 298 G HA2 0.032 3.992 3.960 -0.000 0.000 0.299 298 G HA3 0.032 3.992 3.960 -0.000 0.000 0.299 298 G C 0.855 175.794 174.900 0.064 0.000 1.002 298 G CA 0.790 45.921 45.100 0.051 0.000 0.979 298 G HN 1.142 nan 8.290 nan 0.000 0.513 299 G N -2.464 106.391 108.800 0.092 0.000 2.698 299 G HA2 0.148 4.108 3.960 -0.000 0.000 0.233 299 G HA3 0.148 4.108 3.960 -0.000 0.000 0.233 299 G C 0.418 175.379 174.900 0.102 0.000 1.352 299 G CA 1.060 46.212 45.100 0.087 0.000 0.879 299 G HN 2.015 nan 8.290 nan 0.000 0.567 300 V N -3.297 116.662 119.914 0.075 0.000 2.711 300 V HA 0.642 4.762 4.120 -0.000 0.000 0.335 300 V C -0.585 175.551 176.094 0.071 0.000 1.235 300 V CA 0.062 62.416 62.300 0.090 0.000 1.250 300 V CB 0.939 32.818 31.823 0.093 0.000 1.469 300 V HN 0.705 nan 8.190 nan 0.000 0.646 301 D N 0.759 121.191 120.400 0.054 0.000 2.879 301 D HA 0.655 5.295 4.640 -0.000 0.000 0.236 301 D C -0.791 175.528 176.300 0.032 0.000 1.171 301 D CA -0.295 53.728 54.000 0.038 0.000 0.868 301 D CB 3.021 43.838 40.800 0.028 0.000 1.598 301 D HN 0.124 nan 8.370 nan 0.000 0.497 302 L N 0.000 121.238 121.223 0.025 0.000 2.949 302 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 302 L CA 0.000 54.853 54.840 0.022 0.000 0.813 302 L CB 0.000 42.071 42.059 0.019 0.000 0.961 302 L HN 0.000 nan 8.230 nan 0.000 0.502