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_N 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 0.013 0.000 1.140 3 M CA 0.000 55.306 55.300 0.010 0.000 0.988 3 M CB 0.000 32.605 32.600 0.009 0.000 1.302 4 V N 0.128 120.051 119.914 0.014 0.000 2.925 4 V HA 0.867 4.987 4.120 -0.000 0.000 0.311 4 V C -1.132 174.973 176.094 0.018 0.000 1.104 4 V CA 0.176 62.486 62.300 0.017 0.000 0.954 4 V CB 2.353 34.186 31.823 0.016 0.000 1.022 4 V HN 1.106 nan 8.190 nan 0.000 0.427 5 T N 3.656 118.223 114.554 0.023 0.000 2.945 5 T HA 0.681 5.031 4.350 -0.000 0.000 0.286 5 T C 1.003 175.719 174.700 0.026 0.000 1.025 5 T CA 0.182 62.297 62.100 0.025 0.000 1.039 5 T CB 1.681 70.570 68.868 0.034 0.000 1.068 5 T HN 1.436 nan 8.240 nan 0.000 0.497 6 A N 2.188 125.023 122.820 0.025 0.000 2.167 6 A HA 0.394 4.714 4.320 -0.000 0.000 0.214 6 A C 2.442 180.045 177.584 0.033 0.000 1.151 6 A CA 1.338 53.390 52.037 0.026 0.000 0.735 6 A CB -1.083 17.930 19.000 0.021 0.000 0.802 6 A HN 1.117 nan 8.150 nan 0.000 0.467 7 A N 0.069 122.914 122.820 0.041 0.000 1.903 7 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 7 A C 2.325 179.934 177.584 0.041 0.000 1.191 7 A CA 2.588 54.655 52.037 0.051 0.000 0.638 7 A CB -1.380 17.660 19.000 0.067 0.000 0.823 7 A HN 0.474 nan 8.150 nan 0.000 0.451 8 T N -0.664 113.912 114.554 0.036 0.000 2.520 8 T HA -0.183 4.167 4.350 -0.000 0.000 0.258 8 T C 2.027 176.744 174.700 0.028 0.000 1.125 8 T CA 1.681 63.800 62.100 0.031 0.000 1.206 8 T CB -0.959 67.925 68.868 0.028 0.000 0.864 8 T HN 0.486 nan 8.240 nan 0.000 0.400 9 S N 0.882 116.597 115.700 0.026 0.000 2.513 9 S HA -0.266 4.203 4.470 -0.000 0.000 0.311 9 S C 1.859 176.474 174.600 0.025 0.000 1.227 9 S CA 2.169 60.384 58.200 0.025 0.000 1.234 9 S CB -0.797 62.418 63.200 0.025 0.000 1.244 9 S HN 0.434 nan 8.310 nan 0.000 0.445 10 L N 1.448 122.686 121.223 0.025 0.000 2.131 10 L HA 0.146 4.486 4.340 -0.000 0.000 0.206 10 L C 2.278 179.159 176.870 0.018 0.000 1.087 10 L CA 2.360 57.212 54.840 0.020 0.000 0.767 10 L CB -0.768 41.303 42.059 0.020 0.000 0.917 10 L HN 0.391 nan 8.230 nan 0.000 0.441 11 R N -0.443 120.071 120.500 0.024 0.000 2.073 11 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 11 R C 2.469 178.784 176.300 0.026 0.000 1.134 11 R CA 1.747 57.862 56.100 0.026 0.000 0.952 11 R CB -0.347 29.972 30.300 0.031 0.000 0.850 11 R HN 0.232 nan 8.270 nan 0.000 0.433 12 R N -0.076 120.440 120.500 0.026 0.000 2.152 12 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 12 R C 1.974 178.290 176.300 0.026 0.000 1.117 12 R CA 1.505 57.620 56.100 0.026 0.000 0.981 12 R CB -0.262 30.053 30.300 0.025 0.000 0.870 12 R HN 0.441 nan 8.270 nan 0.000 0.451 13 A N 0.174 123.009 122.820 0.025 0.000 1.855 13 A HA -0.059 4.261 4.320 -0.000 0.000 0.213 13 A C 2.030 179.629 177.584 0.025 0.000 1.195 13 A CA 0.954 53.007 52.037 0.026 0.000 0.610 13 A CB -0.606 18.410 19.000 0.026 0.000 0.837 13 A HN 0.288 nan 8.150 nan 0.000 0.444 14 L N 0.098 121.329 121.223 0.015 0.000 2.085 14 L HA -0.316 4.024 4.340 -0.000 0.000 0.218 14 L C 2.396 179.282 176.870 0.025 0.000 1.080 14 L CA 2.055 56.900 54.840 0.009 0.000 0.776 14 L CB -0.724 41.333 42.059 -0.003 0.000 0.891 14 L HN 0.526 nan 8.230 nan 0.000 0.437 15 E N -0.606 119.613 120.200 0.032 0.000 2.401 15 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 15 E C 0.783 177.405 176.600 0.038 0.000 1.023 15 E CA 0.165 56.588 56.400 0.038 0.000 0.859 15 E CB -0.375 29.347 29.700 0.036 0.000 0.780 15 E HN 0.474 nan 8.360 nan 0.000 0.523 16 N N 1.224 119.946 118.700 0.037 0.000 2.439 16 N HA 0.050 4.790 4.740 -0.000 0.000 0.249 16 N C -2.139 173.397 175.510 0.045 0.000 1.003 16 N CA -1.891 51.181 53.050 0.038 0.000 0.942 16 N CB 1.217 39.726 38.487 0.037 0.000 1.115 16 N HN -0.254 nan 8.380 nan 0.000 0.505 17 P HA -0.141 nan 4.420 nan 0.000 0.218 17 P C 0.714 178.049 177.300 0.059 0.000 1.146 17 P CA 0.922 64.050 63.100 0.048 0.000 0.813 17 P CB 0.314 32.038 31.700 0.040 0.000 0.778 18 D N -0.951 119.481 120.400 0.053 0.000 2.144 18 D HA -0.033 4.607 4.640 -0.000 0.000 0.200 18 D C 0.488 176.840 176.300 0.086 0.000 0.978 18 D CA 0.670 54.704 54.000 0.057 0.000 0.833 18 D CB -0.150 40.675 40.800 0.042 0.000 0.961 18 D HN 0.100 nan 8.370 nan 0.000 0.470 19 S N -0.449 115.304 115.700 0.089 0.000 2.569 19 S HA 0.220 4.690 4.470 -0.000 0.000 0.274 19 S C -0.034 174.685 174.600 0.200 0.000 1.353 19 S CA -0.035 58.235 58.200 0.117 0.000 1.023 19 S CB 0.820 64.065 63.200 0.075 0.000 0.876 19 S HN 0.255 nan 8.310 nan 0.000 0.540 20 F N 0.863 120.824 119.950 0.019 0.000 2.652 20 F HA 0.456 4.983 4.527 -0.000 0.000 0.320 20 F C -2.122 173.692 175.800 0.022 0.000 1.115 20 F CA -0.797 57.214 58.000 0.019 0.000 1.053 20 F CB 0.688 39.705 39.000 0.027 0.000 1.297 20 F HN 0.334 nan 8.300 nan 0.000 0.471 21 I N 6.686 126.956 120.570 -0.501 0.000 2.330 21 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 21 I C -0.754 175.188 176.117 -0.291 0.000 1.001 21 I CA -0.690 60.450 61.300 -0.267 0.000 1.193 21 I CB 1.545 39.409 38.000 -0.227 0.000 1.345 21 I HN 0.341 nan 8.210 nan 0.000 0.461 22 V N 6.190 126.121 119.914 0.028 0.000 2.383 22 V HA 0.739 4.859 4.120 -0.000 0.000 0.275 22 V C 0.282 176.439 176.094 0.105 0.000 1.036 22 V CA -0.397 61.985 62.300 0.138 0.000 0.889 22 V CB 1.139 33.180 31.823 0.364 0.000 0.985 22 V HN 0.818 nan 8.190 nan 0.000 0.459 23 A N 8.039 130.852 122.820 -0.012 0.000 2.745 23 A HA 0.681 5.001 4.320 -0.000 0.000 0.301 23 A C -2.739 174.821 177.584 -0.040 0.000 1.188 23 A CA -1.398 50.625 52.037 -0.023 0.000 0.746 23 A CB 0.982 19.974 19.000 -0.014 0.000 1.207 23 A HN 0.568 nan 8.150 nan 0.000 0.432 24 P HA 0.134 nan 4.420 nan 0.000 0.265 24 P C 0.689 178.009 177.300 0.034 0.000 1.193 24 P CA 0.607 63.649 63.100 -0.096 0.000 0.765 24 P CB 0.855 32.225 31.700 -0.549 0.000 0.823 25 G N 2.128 111.018 108.800 0.150 0.000 2.313 25 G HA2 0.377 4.336 3.960 -0.000 0.000 0.250 25 G HA3 0.377 4.336 3.960 -0.000 0.000 0.250 25 G C -0.466 174.534 174.900 0.167 0.000 1.281 25 G CA -0.035 45.223 45.100 0.262 0.000 0.917 25 G HN 0.418 nan 8.290 nan 0.000 0.501 26 V N 2.276 122.287 119.914 0.162 0.000 3.159 26 V HA 0.608 4.728 4.120 -0.000 0.000 0.308 26 V C -0.213 175.947 176.094 0.110 0.000 1.190 26 V CA -0.454 61.891 62.300 0.076 0.000 1.037 26 V CB 2.231 34.033 31.823 -0.034 0.000 1.060 26 V HN 0.952 nan 8.190 nan 0.000 0.437 27 Y N 0.159 120.438 120.300 -0.036 0.000 2.922 27 Y HA 0.530 5.080 4.550 -0.000 0.000 0.294 27 Y C -0.368 175.505 175.900 -0.045 0.000 0.979 27 Y CA 0.055 58.134 58.100 -0.035 0.000 1.228 27 Y CB 0.490 38.941 38.460 -0.017 0.000 1.425 27 Y HN 0.688 nan 8.280 nan 0.000 0.588 28 D N -0.344 119.864 120.400 -0.320 0.000 2.893 28 D HA 0.141 4.781 4.640 -0.000 0.000 0.346 28 D C 0.780 176.931 176.300 -0.249 0.000 1.402 28 D CA 0.011 53.859 54.000 -0.254 0.000 0.815 28 D CB 0.702 41.367 40.800 -0.225 0.000 1.403 28 D HN 0.104 nan 8.370 nan 0.000 0.484 29 G N 0.000 108.701 108.800 -0.166 0.000 2.402 29 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 29 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 29 G C 1.666 176.492 174.900 -0.124 0.000 1.162 29 G CA 1.074 46.103 45.100 -0.118 0.000 0.777 29 G HN 0.334 nan 8.290 nan 0.000 0.539 30 L N 1.391 122.524 121.223 -0.149 0.000 2.023 30 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 30 L C 3.301 180.063 176.870 -0.180 0.000 1.073 30 L CA 1.545 56.303 54.840 -0.135 0.000 0.745 30 L CB -0.495 41.495 42.059 -0.116 0.000 0.900 30 L HN 0.380 nan 8.230 nan 0.000 0.435 31 S N -0.067 115.432 115.700 -0.337 0.000 2.465 31 S HA -0.173 4.297 4.470 -0.000 0.000 0.241 31 S C 1.920 176.404 174.600 -0.193 0.000 1.000 31 S CA 0.941 58.944 58.200 -0.328 0.000 0.964 31 S CB -0.450 62.350 63.200 -0.667 0.000 0.763 31 S HN 0.379 nan 8.310 nan 0.000 0.512 32 A N 1.734 124.451 122.820 -0.171 0.000 1.984 32 A HA 0.217 4.537 4.320 -0.000 0.000 0.214 32 A C 2.359 179.915 177.584 -0.047 0.000 1.173 32 A CA 0.193 52.172 52.037 -0.096 0.000 0.673 32 A CB -0.175 18.767 19.000 -0.095 0.000 0.830 32 A HN 0.365 nan 8.150 nan 0.000 0.453 33 R N -0.349 120.121 120.500 -0.049 0.000 2.075 33 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 33 R C 2.029 178.329 176.300 0.001 0.000 1.114 33 R CA 1.275 57.364 56.100 -0.019 0.000 0.972 33 R CB -0.942 29.345 30.300 -0.022 0.000 0.869 33 R HN 0.386 nan 8.270 nan 0.000 0.437 34 V N 1.458 121.366 119.914 -0.009 0.000 2.407 34 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 34 V C 2.472 178.606 176.094 0.065 0.000 1.055 34 V CA 1.976 64.285 62.300 0.014 0.000 1.049 34 V CB -0.723 31.097 31.823 -0.006 0.000 0.662 34 V HN 0.310 nan 8.190 nan 0.000 0.455 35 A N -0.822 122.038 122.820 0.067 0.000 1.970 35 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 35 A C 2.045 179.772 177.584 0.238 0.000 1.170 35 A CA 1.059 53.197 52.037 0.169 0.000 0.645 35 A CB -0.334 18.677 19.000 0.018 0.000 0.816 35 A HN 0.388 nan 8.150 nan 0.000 0.447 36 L N -0.245 121.049 121.223 0.117 0.000 2.072 36 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 36 L C 2.411 179.329 176.870 0.080 0.000 1.079 36 L CA 1.815 56.715 54.840 0.099 0.000 0.752 36 L CB -1.170 40.917 42.059 0.047 0.000 0.906 36 L HN 0.276 nan 8.230 nan 0.000 0.436 37 S N -0.701 115.035 115.700 0.060 0.000 2.595 37 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 37 S C 1.511 176.130 174.600 0.032 0.000 0.974 37 S CA 0.745 58.966 58.200 0.035 0.000 0.942 37 S CB -0.169 63.044 63.200 0.022 0.000 0.766 37 S HN 0.441 nan 8.310 nan 0.000 0.536 38 A N -0.375 122.486 122.820 0.067 0.000 2.538 38 A HA 0.604 4.924 4.320 -0.000 0.000 0.269 38 A C 1.338 178.831 177.584 -0.151 0.000 1.231 38 A CA 0.360 52.406 52.037 0.016 0.000 0.948 38 A CB -0.216 18.870 19.000 0.143 0.000 1.110 38 A HN 0.648 nan 8.150 nan 0.000 0.529 39 G N -1.252 107.490 108.800 -0.097 0.000 2.175 39 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 39 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 39 G C 0.022 174.832 174.900 -0.151 0.000 0.982 39 G CA -0.014 44.989 45.100 -0.162 0.000 0.641 39 G HN 0.350 nan 8.290 nan 0.000 0.527 40 F N 1.351 121.318 119.950 0.029 0.000 2.429 40 F HA 0.376 4.903 4.527 -0.000 0.000 0.348 40 F C 1.383 177.207 175.800 0.039 0.000 1.109 40 F CA 0.028 58.054 58.000 0.044 0.000 1.232 40 F CB 0.851 39.882 39.000 0.052 0.000 1.157 40 F HN -0.044 nan 8.300 nan 0.000 0.564 41 D N 1.782 122.348 120.400 0.276 0.000 2.355 41 D HA 0.199 4.839 4.640 -0.000 0.000 0.206 41 D C 0.236 176.611 176.300 0.125 0.000 1.010 41 D CA 0.509 54.602 54.000 0.154 0.000 0.875 41 D CB 0.554 41.426 40.800 0.120 0.000 0.966 41 D HN 0.412 nan 8.370 nan 0.000 0.512 42 A N 0.379 123.284 122.820 0.142 0.000 2.556 42 A HA 0.726 5.046 4.320 -0.000 0.000 0.294 42 A C -1.341 176.281 177.584 0.064 0.000 1.091 42 A CA -0.551 51.535 52.037 0.081 0.000 0.704 42 A CB 1.530 20.562 19.000 0.053 0.000 1.300 42 A HN 0.040 nan 8.150 nan 0.000 0.406 43 L N 0.580 121.826 121.223 0.038 0.000 2.388 43 L HA 0.523 4.863 4.340 -0.000 0.000 0.264 43 L C -1.374 175.536 176.870 0.066 0.000 0.998 43 L CA -0.734 54.119 54.840 0.021 0.000 0.817 43 L CB 2.245 44.301 42.059 -0.004 0.000 1.338 43 L HN 0.815 nan 8.230 nan 0.000 0.414 44 Y N 2.724 123.003 120.300 -0.036 0.000 2.335 44 Y HA 0.485 5.035 4.550 -0.000 0.000 0.338 44 Y C -0.371 175.541 175.900 0.020 0.000 0.977 44 Y CA -0.781 57.317 58.100 -0.003 0.000 1.114 44 Y CB 1.776 40.238 38.460 0.003 0.000 1.182 44 Y HN 0.504 nan 8.280 nan 0.000 0.463 45 M N 6.610 125.804 119.600 -0.676 0.000 2.084 45 M HA 0.198 4.678 4.480 -0.000 0.000 0.351 45 M C -0.532 175.326 176.300 -0.737 0.000 1.240 45 M CA -0.170 54.832 55.300 -0.496 0.000 1.083 45 M CB 0.601 33.016 32.600 -0.308 0.000 1.593 45 M HN 0.841 nan 8.290 nan 0.000 0.463 46 T N 3.116 117.566 114.554 -0.172 0.000 2.817 46 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 46 T C 1.234 176.018 174.700 0.139 0.000 0.964 46 T CA 0.064 62.270 62.100 0.176 0.000 1.085 46 T CB 1.163 70.275 68.868 0.407 0.000 0.921 46 T HN 0.874 nan 8.240 nan 0.000 0.502 47 G N 3.195 112.112 108.800 0.196 0.000 2.418 47 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 47 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 47 G C 1.728 176.730 174.900 0.169 0.000 1.158 47 G CA 0.870 46.078 45.100 0.179 0.000 0.771 47 G HN 0.942 nan 8.290 nan 0.000 0.545 48 A N 1.055 123.988 122.820 0.188 0.000 1.845 48 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 48 A C 2.770 180.422 177.584 0.113 0.000 1.195 48 A CA 2.250 54.380 52.037 0.155 0.000 0.616 48 A CB -1.320 17.787 19.000 0.178 0.000 0.832 48 A HN 0.579 nan 8.150 nan 0.000 0.443 49 G N -1.058 107.805 108.800 0.106 0.000 2.469 49 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.219 49 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.219 49 G C 1.578 176.502 174.900 0.040 0.000 1.150 49 G CA 1.834 46.927 45.100 -0.012 0.000 0.763 49 G HN 0.463 nan 8.290 nan 0.000 0.561 50 T N 1.826 116.442 114.554 0.103 0.000 2.652 50 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 50 T C 2.825 177.565 174.700 0.067 0.000 1.039 50 T CA 1.773 63.924 62.100 0.086 0.000 1.153 50 T CB -0.552 68.360 68.868 0.072 0.000 0.863 50 T HN 0.409 nan 8.240 nan 0.000 0.428 51 A N 1.741 124.630 122.820 0.115 0.000 1.892 51 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 51 A C 2.687 180.343 177.584 0.120 0.000 1.188 51 A CA 2.238 54.378 52.037 0.172 0.000 0.631 51 A CB -1.332 17.763 19.000 0.158 0.000 0.822 51 A HN 0.543 nan 8.150 nan 0.000 0.447 52 A N -0.909 121.947 122.820 0.060 0.000 1.851 52 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 52 A C 2.548 180.134 177.584 0.003 0.000 1.195 52 A CA 2.507 54.555 52.037 0.018 0.000 0.622 52 A CB -1.189 17.784 19.000 -0.045 0.000 0.831 52 A HN 0.671 nan 8.150 nan 0.000 0.444 53 S N -0.765 114.934 115.700 -0.001 0.000 2.343 53 S HA -0.137 4.333 4.470 -0.000 0.000 0.219 53 S C 1.939 176.536 174.600 -0.005 0.000 1.033 53 S CA 1.926 60.156 58.200 0.050 0.000 1.014 53 S CB -0.640 62.689 63.200 0.215 0.000 0.915 53 S HN 0.335 nan 8.310 nan 0.000 0.435 54 V N 1.467 121.331 119.914 -0.083 0.000 2.307 54 V HA -0.067 4.053 4.120 -0.000 0.000 0.245 54 V C 2.333 178.230 176.094 -0.327 0.000 1.045 54 V CA 1.873 64.016 62.300 -0.262 0.000 1.024 54 V CB -0.820 30.731 31.823 -0.454 0.000 0.651 54 V HN 0.598 nan 8.190 nan 0.000 0.449 55 H N -0.365 118.721 119.070 0.027 0.000 2.604 55 H HA 0.284 4.840 4.556 -0.000 0.000 0.273 55 H C 2.050 177.390 175.328 0.020 0.000 0.971 55 H CA 0.953 57.014 56.048 0.022 0.000 1.249 55 H CB 0.540 30.315 29.762 0.022 0.000 1.449 55 H HN 0.514 nan 8.280 nan 0.000 0.512 56 G N 1.196 110.062 108.800 0.110 0.000 2.137 56 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 56 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 56 G C 0.042 174.989 174.900 0.079 0.000 1.002 56 G CA 0.351 45.495 45.100 0.074 0.000 0.702 56 G HN 0.374 nan 8.290 nan 0.000 0.515 57 Q N -0.483 119.380 119.800 0.105 0.000 2.399 57 Q HA 0.843 5.183 4.340 -0.000 0.000 0.276 57 Q C 0.465 176.510 176.000 0.075 0.000 1.098 57 Q CA 0.326 56.179 55.803 0.083 0.000 0.827 57 Q CB 1.698 30.487 28.738 0.085 0.000 1.386 57 Q HN 0.979 nan 8.270 nan 0.000 0.443 58 A N 0.863 123.717 122.820 0.058 0.000 2.310 58 A HA 0.192 4.512 4.320 -0.000 0.000 0.260 58 A C -0.316 177.307 177.584 0.066 0.000 1.112 58 A CA -0.185 51.887 52.037 0.058 0.000 0.804 58 A CB 0.063 19.090 19.000 0.044 0.000 1.081 58 A HN 0.732 nan 8.150 nan 0.000 0.499 59 D N 0.378 120.820 120.400 0.070 0.000 2.489 59 D HA 0.243 4.883 4.640 -0.000 0.000 0.237 59 D C -0.110 176.228 176.300 0.064 0.000 1.212 59 D CA 0.523 54.571 54.000 0.080 0.000 1.058 59 D CB -0.475 40.379 40.800 0.089 0.000 1.098 59 D HN 0.379 nan 8.370 nan 0.000 0.509 60 L N 1.580 122.837 121.223 0.058 0.000 3.289 60 L HA 0.288 4.628 4.340 -0.000 0.000 0.291 60 L C 1.162 178.056 176.870 0.040 0.000 1.279 60 L CA -0.385 54.479 54.840 0.041 0.000 1.025 60 L CB 0.551 42.626 42.059 0.026 0.000 1.413 60 L HN 0.479 nan 8.230 nan 0.000 0.593 61 G N 1.140 109.978 108.800 0.063 0.000 2.333 61 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.296 61 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.296 61 G C 0.348 175.273 174.900 0.041 0.000 1.059 61 G CA 0.178 45.321 45.100 0.072 0.000 1.050 61 G HN 0.261 nan 8.290 nan 0.000 0.508 62 I N -1.209 119.375 120.570 0.024 0.000 4.154 62 I HA 0.227 4.397 4.170 -0.000 0.000 0.334 62 I C 1.046 177.108 176.117 -0.092 0.000 1.371 62 I CA -0.627 60.630 61.300 -0.072 0.000 1.110 62 I CB -0.070 37.865 38.000 -0.108 0.000 1.085 62 I HN 0.285 nan 8.210 nan 0.000 0.398 63 C N 2.818 122.153 119.300 0.058 0.000 2.303 63 C HA 0.566 5.026 4.460 -0.000 0.000 0.326 63 C C 1.303 176.311 174.990 0.031 0.000 1.285 63 C CA -0.360 58.728 59.018 0.117 0.000 1.675 63 C CB 0.846 28.695 27.740 0.183 0.000 2.289 63 C HN 0.508 nan 8.230 nan 0.000 0.512 64 T N 1.090 115.620 114.554 -0.039 0.000 2.824 64 T HA 0.297 4.647 4.350 -0.000 0.000 0.277 64 T C 1.149 175.589 174.700 -0.433 0.000 0.975 64 T CA -0.667 61.331 62.100 -0.169 0.000 0.966 64 T CB 0.544 69.358 68.868 -0.089 0.000 1.054 64 T HN 0.457 nan 8.240 nan 0.000 0.533 65 L N 1.596 122.454 121.223 -0.608 0.000 1.990 65 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 65 L C 2.075 178.772 176.870 -0.287 0.000 1.072 65 L CA 2.105 56.533 54.840 -0.686 0.000 0.755 65 L CB -1.535 40.274 42.059 -0.417 0.000 0.889 65 L HN 0.754 nan 8.230 nan 0.000 0.432 66 N N 0.189 118.788 118.700 -0.169 0.000 2.069 66 N HA -0.236 4.504 4.740 -0.000 0.000 0.196 66 N C 1.483 176.955 175.510 -0.063 0.000 1.024 66 N CA 1.942 54.942 53.050 -0.084 0.000 0.869 66 N CB -0.619 37.836 38.487 -0.054 0.000 1.035 66 N HN 0.510 nan 8.380 nan 0.000 0.434 67 D N -0.077 120.290 120.400 -0.055 0.000 2.084 67 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 67 D C 1.996 178.273 176.300 -0.039 0.000 0.985 67 D CA 0.870 54.855 54.000 -0.024 0.000 0.826 67 D CB -0.189 40.646 40.800 0.057 0.000 0.978 67 D HN 0.171 nan 8.370 nan 0.000 0.456 68 M N 0.606 120.180 119.600 -0.044 0.000 2.067 68 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 68 M C 2.220 178.503 176.300 -0.029 0.000 1.069 68 M CA 1.053 56.358 55.300 0.008 0.000 1.117 68 M CB -0.910 31.742 32.600 0.087 0.000 1.334 68 M HN 0.014 nan 8.290 nan 0.000 0.407 69 R N 0.726 121.233 120.500 0.012 0.000 2.083 69 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 69 R C 1.970 178.202 176.300 -0.113 0.000 1.137 69 R CA 1.999 58.077 56.100 -0.036 0.000 0.951 69 R CB -0.641 29.709 30.300 0.084 0.000 0.851 69 R HN 0.338 nan 8.270 nan 0.000 0.434 70 A N 1.175 123.950 122.820 -0.076 0.000 1.892 70 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 70 A C 2.046 179.573 177.584 -0.096 0.000 1.188 70 A CA 1.998 53.989 52.037 -0.076 0.000 0.631 70 A CB -0.838 18.127 19.000 -0.058 0.000 0.822 70 A HN 0.554 nan 8.150 nan 0.000 0.447 71 N N -0.197 118.443 118.700 -0.099 0.000 2.080 71 N HA -0.035 4.705 4.740 -0.000 0.000 0.189 71 N C 1.838 177.259 175.510 -0.148 0.000 1.036 71 N CA 1.940 54.928 53.050 -0.103 0.000 0.846 71 N CB -0.442 37.999 38.487 -0.076 0.000 1.015 71 N HN 0.356 nan 8.380 nan 0.000 0.423 72 A N 0.706 123.393 122.820 -0.223 0.000 1.903 72 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 72 A C 2.129 179.567 177.584 -0.244 0.000 1.191 72 A CA 2.194 54.041 52.037 -0.318 0.000 0.638 72 A CB -1.064 17.552 19.000 -0.640 0.000 0.823 72 A HN 0.664 nan 8.150 nan 0.000 0.451 73 E N -0.366 119.708 120.200 -0.209 0.000 2.051 73 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 73 E C 2.019 178.557 176.600 -0.103 0.000 0.991 73 E CA 1.938 58.253 56.400 -0.140 0.000 0.799 73 E CB -0.295 29.342 29.700 -0.105 0.000 0.748 73 E HN 0.721 nan 8.360 nan 0.000 0.449 74 M N 0.092 119.634 119.600 -0.095 0.000 2.296 74 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 74 M C 1.703 177.957 176.300 -0.078 0.000 1.064 74 M CA 1.506 56.760 55.300 -0.075 0.000 1.109 74 M CB -0.175 32.384 32.600 -0.069 0.000 1.396 74 M HN 0.139 nan 8.290 nan 0.000 0.430 75 I N 0.240 120.752 120.570 -0.097 0.000 2.162 75 I HA -0.183 3.987 4.170 -0.000 0.000 0.238 75 I C 2.181 178.251 176.117 -0.077 0.000 1.076 75 I CA 1.356 62.600 61.300 -0.093 0.000 1.353 75 I CB -0.780 37.152 38.000 -0.112 0.000 1.063 75 I HN 0.382 nan 8.210 nan 0.000 0.408 76 S N 1.065 116.712 115.700 -0.088 0.000 2.420 76 S HA -0.156 4.314 4.470 -0.000 0.000 0.237 76 S C 1.347 175.921 174.600 -0.043 0.000 1.023 76 S CA 1.220 59.382 58.200 -0.064 0.000 0.991 76 S CB -0.396 62.760 63.200 -0.073 0.000 0.792 76 S HN 0.456 nan 8.310 nan 0.000 0.488 77 N N 0.321 118.993 118.700 -0.046 0.000 2.251 77 N HA 0.338 5.078 4.740 -0.000 0.000 0.217 77 N C 0.815 176.308 175.510 -0.028 0.000 1.124 77 N CA 0.026 53.056 53.050 -0.032 0.000 0.843 77 N CB 0.218 38.685 38.487 -0.033 0.000 1.024 77 N HN 0.364 nan 8.380 nan 0.000 0.501 78 I N -0.153 120.399 120.570 -0.030 0.000 2.500 78 I HA -0.096 4.074 4.170 -0.000 0.000 0.252 78 I C 0.670 176.778 176.117 -0.013 0.000 1.142 78 I CA 0.838 62.123 61.300 -0.024 0.000 1.451 78 I CB 0.296 38.279 38.000 -0.029 0.000 1.093 78 I HN -0.008 nan 8.210 nan 0.000 0.430 79 S N -0.266 115.428 115.700 -0.009 0.000 2.609 79 S HA 0.365 4.835 4.470 -0.000 0.000 0.250 79 S C -2.382 172.218 174.600 0.001 0.000 1.112 79 S CA -1.093 57.107 58.200 -0.001 0.000 1.102 79 S CB 1.242 64.446 63.200 0.007 0.000 1.124 79 S HN -0.183 nan 8.310 nan 0.000 0.460 80 P HA 0.058 nan 4.420 nan 0.000 0.242 80 P C 1.163 178.467 177.300 0.006 0.000 1.197 80 P CA 0.417 63.516 63.100 -0.001 0.000 0.765 80 P CB 0.086 31.785 31.700 -0.002 0.000 0.936 81 S N -2.744 112.962 115.700 0.010 0.000 2.470 81 S HA 0.026 4.496 4.470 -0.000 0.000 0.222 81 S C 0.950 175.563 174.600 0.021 0.000 1.024 81 S CA 0.220 58.430 58.200 0.016 0.000 0.931 81 S CB -1.338 61.872 63.200 0.016 0.000 0.791 81 S HN 0.047 nan 8.310 nan 0.000 0.513 82 T N 5.048 119.615 114.554 0.022 0.000 2.799 82 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 82 T C -2.732 171.983 174.700 0.024 0.000 0.947 82 T CA -1.128 60.990 62.100 0.030 0.000 1.141 82 T CB 0.602 69.491 68.868 0.036 0.000 0.891 82 T HN 0.156 nan 8.240 nan 0.000 0.533 83 P HA 0.275 nan 4.420 nan 0.000 0.271 83 P C -0.916 176.396 177.300 0.020 0.000 1.216 83 P CA -0.388 62.727 63.100 0.025 0.000 0.776 83 P CB 0.512 32.228 31.700 0.027 0.000 0.881 84 V N 4.952 124.872 119.914 0.011 0.000 2.443 84 V HA 0.332 4.452 4.120 -0.000 0.000 0.293 84 V C 0.205 176.301 176.094 0.002 0.000 1.021 84 V CA -0.478 61.819 62.300 -0.007 0.000 0.848 84 V CB 1.303 33.100 31.823 -0.043 0.000 0.998 84 V HN 0.367 nan 8.190 nan 0.000 0.424 85 I N 4.435 125.020 120.570 0.025 0.000 2.312 85 I HA 0.664 4.834 4.170 -0.000 0.000 0.291 85 I C 0.620 176.695 176.117 -0.070 0.000 1.031 85 I CA -0.030 61.311 61.300 0.067 0.000 1.293 85 I CB 1.282 39.388 38.000 0.176 0.000 1.403 85 I HN 0.666 nan 8.210 nan 0.000 0.484 86 A N 4.484 127.283 122.820 -0.034 0.000 2.325 86 A HA 0.461 4.781 4.320 -0.000 0.000 0.333 86 A C -0.716 176.778 177.584 -0.150 0.000 1.155 86 A CA -0.599 51.343 52.037 -0.158 0.000 0.814 86 A CB 1.080 19.992 19.000 -0.145 0.000 1.206 86 A HN 0.713 nan 8.150 nan 0.000 0.482 87 D N 1.455 121.675 120.400 -0.299 0.000 2.312 87 D HA 0.484 5.124 4.640 -0.000 0.000 0.252 87 D C 0.491 176.831 176.300 0.066 0.000 1.150 87 D CA 0.495 54.282 54.000 -0.355 0.000 0.870 87 D CB 1.176 41.956 40.800 -0.034 0.000 1.153 87 D HN 0.483 nan 8.370 nan 0.000 0.457 88 A N 4.137 127.013 122.820 0.093 0.000 2.535 88 A HA 0.246 4.566 4.320 -0.000 0.000 0.273 88 A C 0.726 178.231 177.584 -0.131 0.000 1.267 88 A CA -0.201 51.901 52.037 0.108 0.000 0.940 88 A CB -0.198 18.707 19.000 -0.157 0.000 1.101 88 A HN 0.741 nan 8.150 nan 0.000 0.521 89 D N -0.440 119.974 120.400 0.023 0.000 3.452 89 D HA -0.246 4.394 4.640 -0.000 0.000 0.164 89 D C 1.243 177.445 176.300 -0.162 0.000 1.074 89 D CA 2.610 56.574 54.000 -0.060 0.000 1.069 89 D CB -1.157 39.574 40.800 -0.116 0.000 0.527 89 D HN 0.609 nan 8.370 nan 0.000 0.558 90 T N -2.349 112.029 114.554 -0.293 0.000 3.081 90 T HA 0.441 4.791 4.350 -0.000 0.000 0.250 90 T C 1.428 175.973 174.700 -0.258 0.000 1.100 90 T CA 1.526 63.513 62.100 -0.189 0.000 1.038 90 T CB 0.824 69.624 68.868 -0.112 0.000 0.962 90 T HN 1.143 nan 8.240 nan 0.000 0.516 91 G N 0.776 109.232 108.800 -0.574 0.000 2.352 91 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.204 91 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.204 91 G C 0.493 175.193 174.900 -0.334 0.000 1.004 91 G CA -0.089 44.754 45.100 -0.429 0.000 0.648 91 G HN 0.585 nan 8.290 nan 0.000 0.491 92 Y N -1.130 119.152 120.300 -0.030 0.000 4.959 92 Y HA 0.073 4.623 4.550 -0.000 0.000 0.270 92 Y C 1.272 177.159 175.900 -0.022 0.000 0.877 92 Y CA 1.068 59.151 58.100 -0.029 0.000 1.815 92 Y CB -1.388 37.042 38.460 -0.050 0.000 1.251 92 Y HN 1.875 nan 8.280 nan 0.000 0.560 93 G N -0.744 108.091 108.800 0.059 0.000 2.327 93 G HA2 0.463 4.423 3.960 -0.000 0.000 0.291 93 G HA3 0.463 4.423 3.960 -0.000 0.000 0.291 93 G C 0.077 174.983 174.900 0.010 0.000 1.290 93 G CA -0.162 44.961 45.100 0.039 0.000 0.857 93 G HN 0.609 nan 8.290 nan 0.000 0.520 94 G N -0.413 108.392 108.800 0.008 0.000 2.468 94 G HA2 0.498 4.458 3.960 -0.000 0.000 0.264 94 G HA3 0.498 4.458 3.960 -0.000 0.000 0.264 94 G C -0.746 174.152 174.900 -0.003 0.000 1.460 94 G CA 0.271 45.371 45.100 0.000 0.000 1.060 94 G HN 0.496 nan 8.290 nan 0.000 0.543 95 P HA -0.110 nan 4.420 nan 0.000 0.215 95 P C 2.118 179.414 177.300 -0.005 0.000 1.157 95 P CA 0.983 64.078 63.100 -0.009 0.000 0.874 95 P CB 0.009 31.703 31.700 -0.010 0.000 0.790 96 I N -1.841 118.728 120.570 -0.002 0.000 2.185 96 I HA -0.249 3.921 4.170 -0.000 0.000 0.246 96 I C 2.193 178.309 176.117 -0.001 0.000 1.088 96 I CA 2.012 63.311 61.300 -0.001 0.000 1.347 96 I CB -1.546 36.455 38.000 0.002 0.000 1.041 96 I HN 0.060 nan 8.210 nan 0.000 0.415 97 M N -0.109 119.493 119.600 0.004 0.000 2.394 97 M HA 0.043 4.523 4.480 -0.000 0.000 0.266 97 M C 2.098 178.399 176.300 0.001 0.000 1.098 97 M CA 0.935 56.243 55.300 0.014 0.000 1.149 97 M CB -0.150 32.472 32.600 0.037 0.000 1.369 97 M HN -0.050 nan 8.290 nan 0.000 0.450 98 V N 0.261 120.165 119.914 -0.016 0.000 2.343 98 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 98 V C 2.521 178.583 176.094 -0.053 0.000 1.051 98 V CA 1.856 64.130 62.300 -0.042 0.000 1.036 98 V CB -1.677 30.133 31.823 -0.022 0.000 0.654 98 V HN 0.564 nan 8.190 nan 0.000 0.451 99 A N 1.190 123.995 122.820 -0.025 0.000 1.858 99 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 99 A C 2.356 179.918 177.584 -0.036 0.000 1.190 99 A CA 1.936 53.962 52.037 -0.019 0.000 0.617 99 A CB -0.514 18.484 19.000 -0.004 0.000 0.827 99 A HN 0.617 nan 8.150 nan 0.000 0.443 100 R N -0.732 119.749 120.500 -0.031 0.000 2.127 100 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 100 R C 1.959 178.217 176.300 -0.070 0.000 1.134 100 R CA 1.713 57.793 56.100 -0.033 0.000 0.975 100 R CB -1.320 28.968 30.300 -0.019 0.000 0.865 100 R HN 0.428 nan 8.270 nan 0.000 0.447 101 T N 1.052 115.534 114.554 -0.120 0.000 2.746 101 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 101 T C 1.878 176.294 174.700 -0.472 0.000 1.039 101 T CA 1.976 63.898 62.100 -0.297 0.000 1.142 101 T CB -0.297 68.385 68.868 -0.310 0.000 0.866 101 T HN 0.348 nan 8.240 nan 0.000 0.444 102 T N 2.045 116.406 114.554 -0.321 0.000 2.674 102 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 102 T C 1.969 176.637 174.700 -0.053 0.000 1.039 102 T CA 1.416 63.401 62.100 -0.191 0.000 1.150 102 T CB -0.349 68.539 68.868 0.034 0.000 0.864 102 T HN 0.530 nan 8.240 nan 0.000 0.427 103 E N 0.973 121.158 120.200 -0.025 0.000 2.049 103 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 103 E C 2.582 179.201 176.600 0.030 0.000 1.007 103 E CA 1.343 57.750 56.400 0.013 0.000 0.809 103 E CB -0.144 29.559 29.700 0.005 0.000 0.749 103 E HN 0.564 nan 8.360 nan 0.000 0.450 104 Q N -0.459 119.357 119.800 0.027 0.000 2.046 104 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 104 Q C 2.088 178.169 176.000 0.135 0.000 0.975 104 Q CA 1.094 56.937 55.803 0.066 0.000 0.836 104 Q CB -0.244 28.532 28.738 0.064 0.000 0.896 104 Q HN 0.326 nan 8.270 nan 0.000 0.428 105 Y N 1.534 121.764 120.300 -0.117 0.000 2.069 105 Y HA -0.297 4.253 4.550 -0.000 0.000 0.278 105 Y C 2.756 178.638 175.900 -0.029 0.000 1.175 105 Y CA 1.328 59.364 58.100 -0.108 0.000 1.134 105 Y CB -0.852 37.456 38.460 -0.253 0.000 0.965 105 Y HN 0.053 nan 8.280 nan 0.000 0.498 106 S N -0.029 115.764 115.700 0.156 0.000 2.365 106 S HA -0.261 4.209 4.470 -0.000 0.000 0.221 106 S C 2.056 176.695 174.600 0.065 0.000 1.037 106 S CA 1.666 59.934 58.200 0.114 0.000 1.060 106 S CB -0.490 62.769 63.200 0.100 0.000 0.974 106 S HN 0.400 nan 8.310 nan 0.000 0.427 107 R N 1.025 121.555 120.500 0.050 0.000 2.133 107 R HA -0.073 4.267 4.340 -0.000 0.000 0.247 107 R C 2.563 178.871 176.300 0.012 0.000 1.151 107 R CA 1.538 57.655 56.100 0.028 0.000 0.971 107 R CB -0.600 29.712 30.300 0.022 0.000 0.866 107 R HN 0.290 nan 8.270 nan 0.000 0.447 108 S N -1.063 114.639 115.700 0.004 0.000 2.419 108 S HA -0.041 4.429 4.470 -0.000 0.000 0.233 108 S C 1.370 175.949 174.600 -0.035 0.000 1.016 108 S CA 1.207 59.388 58.200 -0.032 0.000 0.974 108 S CB 0.246 63.400 63.200 -0.077 0.000 0.786 108 S HN 0.726 nan 8.310 nan 0.000 0.492 109 G N 0.275 109.069 108.800 -0.011 0.000 2.168 109 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.197 109 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.197 109 G C 0.062 174.963 174.900 0.002 0.000 0.997 109 G CA -0.153 44.947 45.100 0.001 0.000 0.658 109 G HN 0.381 nan 8.290 nan 0.000 0.513 110 V N 0.913 120.820 119.914 -0.011 0.000 2.617 110 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 110 V C 1.776 177.921 176.094 0.086 0.000 1.040 110 V CA 1.236 63.533 62.300 -0.005 0.000 1.149 110 V CB 1.016 32.815 31.823 -0.040 0.000 0.914 110 V HN 0.906 nan 8.190 nan 0.000 0.487 111 A N 3.790 126.653 122.820 0.070 0.000 1.984 111 A HA 0.658 4.978 4.320 -0.000 0.000 0.214 111 A C 1.029 178.678 177.584 0.108 0.000 1.173 111 A CA 1.015 53.098 52.037 0.076 0.000 0.673 111 A CB 0.081 19.107 19.000 0.044 0.000 0.830 111 A HN 1.318 nan 8.150 nan 0.000 0.453 112 A N -1.192 121.713 122.820 0.141 0.000 2.606 112 A HA 0.686 5.006 4.320 -0.000 0.000 0.293 112 A C -0.846 176.914 177.584 0.292 0.000 1.082 112 A CA -0.496 51.626 52.037 0.142 0.000 0.685 112 A CB 0.587 19.617 19.000 0.050 0.000 1.284 112 A HN 1.085 nan 8.150 nan 0.000 0.408 113 F N -0.874 119.168 119.950 0.152 0.000 2.650 113 F HA 0.885 5.412 4.527 -0.000 0.000 0.320 113 F C -0.524 175.366 175.800 0.149 0.000 1.091 113 F CA -0.954 57.129 58.000 0.139 0.000 0.962 113 F CB 1.131 40.283 39.000 0.253 0.000 1.363 113 F HN 0.846 nan 8.300 nan 0.000 0.482 114 H N -0.074 119.179 119.070 0.305 0.000 2.569 114 H HA 0.824 5.379 4.556 -0.000 0.000 0.357 114 H C -1.742 173.699 175.328 0.189 0.000 1.153 114 H CA -1.684 54.469 56.048 0.175 0.000 1.193 114 H CB 1.851 31.766 29.762 0.254 0.000 1.602 114 H HN 0.889 nan 8.280 nan 0.000 0.523 115 I N 1.815 122.563 120.570 0.297 0.000 2.545 115 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 115 I C -0.461 175.768 176.117 0.186 0.000 1.040 115 I CA -0.684 60.742 61.300 0.211 0.000 1.068 115 I CB 2.000 40.099 38.000 0.165 0.000 1.251 115 I HN 0.882 nan 8.210 nan 0.000 0.424 116 E N 3.464 123.733 120.200 0.115 0.000 2.390 116 E HA 0.397 4.747 4.350 -0.000 0.000 0.249 116 E C -1.106 175.505 176.600 0.018 0.000 0.981 116 E CA -0.658 55.745 56.400 0.004 0.000 0.860 116 E CB 1.047 30.666 29.700 -0.134 0.000 1.278 116 E HN 0.528 nan 8.360 nan 0.000 0.416 117 D N -0.792 119.455 120.400 -0.256 0.000 2.462 117 D HA 0.024 4.664 4.640 -0.000 0.000 0.221 117 D C -0.160 176.036 176.300 -0.173 0.000 1.173 117 D CA -0.289 53.522 54.000 -0.315 0.000 0.831 117 D CB 0.102 40.410 40.800 -0.821 0.000 1.001 117 D HN 0.226 nan 8.370 nan 0.000 0.499 118 Q N 0.844 120.574 119.800 -0.116 0.000 2.354 118 Q HA 0.241 4.581 4.340 -0.000 0.000 0.244 118 Q C 0.578 176.554 176.000 -0.042 0.000 0.969 118 Q CA -0.580 55.177 55.803 -0.076 0.000 0.885 118 Q CB 2.465 31.166 28.738 -0.061 0.000 1.241 118 Q HN 0.277 nan 8.270 nan 0.000 0.461 119 V N 0.216 120.113 119.914 -0.029 0.000 2.999 119 V HA -0.026 4.094 4.120 -0.000 0.000 0.307 119 V C 0.060 176.149 176.094 -0.009 0.000 1.084 119 V CA -0.289 62.003 62.300 -0.013 0.000 1.155 119 V CB 0.795 32.614 31.823 -0.006 0.000 0.975 119 V HN 0.824 nan 8.190 nan 0.000 0.490 120 Q N 2.879 122.677 119.800 -0.003 0.000 2.423 120 Q HA 0.488 4.828 4.340 -0.000 0.000 0.235 120 Q C -0.401 175.607 176.000 0.014 0.000 1.100 120 Q CA 0.035 55.842 55.803 0.007 0.000 0.908 120 Q CB 0.346 29.090 28.738 0.010 0.000 1.312 120 Q HN 1.090 nan 8.270 nan 0.000 0.497 131 I N 3.842 124.415 120.570 0.006 0.000 2.428 131 I HA 0.477 4.647 4.170 -0.000 0.000 0.296 131 I C 0.277 176.391 176.117 -0.006 0.000 0.985 131 I CA -0.781 60.528 61.300 0.014 0.000 1.260 131 I CB 0.653 38.660 38.000 0.012 0.000 1.389 131 I HN 0.517 nan 8.210 nan 0.000 0.484 132 L N 4.721 125.940 121.223 -0.007 0.000 2.286 132 L HA 0.652 4.991 4.340 -0.000 0.000 0.265 132 L C 0.004 176.841 176.870 -0.054 0.000 1.012 132 L CA -1.072 53.729 54.840 -0.065 0.000 0.818 132 L CB 1.967 43.940 42.059 -0.144 0.000 1.337 132 L HN 0.261 nan 8.230 nan 0.000 0.438 133 V N 0.053 119.926 119.914 -0.068 0.000 2.997 133 V HA 0.208 4.328 4.120 -0.000 0.000 0.311 133 V C -0.676 175.386 176.094 -0.052 0.000 1.066 133 V CA -0.410 61.871 62.300 -0.033 0.000 1.039 133 V CB 1.957 33.780 31.823 0.000 0.000 1.081 133 V HN 0.936 nan 8.190 nan 0.000 0.467 134 D N 1.817 122.204 120.400 -0.021 0.000 2.371 134 D HA 0.163 4.803 4.640 -0.000 0.000 0.242 134 D C 0.975 177.279 176.300 0.007 0.000 1.218 134 D CA 0.008 53.992 54.000 -0.026 0.000 0.945 134 D CB 0.493 41.290 40.800 -0.004 0.000 1.137 134 D HN 0.467 nan 8.370 nan 0.000 0.464 135 T N -0.153 114.403 114.554 0.004 0.000 2.607 135 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 135 T C 1.091 175.845 174.700 0.090 0.000 1.049 135 T CA 1.753 63.893 62.100 0.066 0.000 1.162 135 T CB -0.527 68.361 68.868 0.032 0.000 0.863 135 T HN 0.453 nan 8.240 nan 0.000 0.424 136 D N 0.796 121.219 120.400 0.039 0.000 2.154 136 D HA -0.124 4.516 4.640 -0.000 0.000 0.190 136 D C 2.357 178.670 176.300 0.022 0.000 1.003 136 D CA 1.794 55.806 54.000 0.020 0.000 0.849 136 D CB -0.814 39.992 40.800 0.010 0.000 0.942 136 D HN 0.390 nan 8.370 nan 0.000 0.446 137 T N -0.498 114.078 114.554 0.037 0.000 2.720 137 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 137 T C 1.791 176.530 174.700 0.065 0.000 1.037 137 T CA 1.333 63.456 62.100 0.038 0.000 1.144 137 T CB -0.537 68.353 68.868 0.037 0.000 0.864 137 T HN 0.240 nan 8.240 nan 0.000 0.444 138 Y N 2.450 122.726 120.300 -0.038 0.000 2.153 138 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 138 Y C 2.280 178.163 175.900 -0.029 0.000 1.127 138 Y CA 0.497 58.573 58.100 -0.039 0.000 1.131 138 Y CB -0.774 37.654 38.460 -0.053 0.000 0.995 138 Y HN -0.008 nan 8.280 nan 0.000 0.505 139 V N -0.246 119.571 119.914 -0.162 0.000 2.527 139 V HA -0.368 3.752 4.120 -0.000 0.000 0.255 139 V C 2.220 178.202 176.094 -0.187 0.000 1.081 139 V CA 2.333 64.494 62.300 -0.232 0.000 1.092 139 V CB -1.437 30.331 31.823 -0.092 0.000 0.673 139 V HN 0.499 nan 8.190 nan 0.000 0.470 140 T N -0.473 114.013 114.554 -0.115 0.000 2.851 140 T HA -0.066 4.284 4.350 -0.000 0.000 0.262 140 T C 2.068 176.718 174.700 -0.084 0.000 1.043 140 T CA 1.016 63.071 62.100 -0.076 0.000 1.140 140 T CB -0.152 68.695 68.868 -0.036 0.000 0.872 140 T HN 0.490 nan 8.240 nan 0.000 0.446 141 R N 0.710 121.150 120.500 -0.099 0.000 2.105 141 R HA -0.045 4.295 4.340 -0.000 0.000 0.239 141 R C 2.183 178.409 176.300 -0.123 0.000 1.135 141 R CA 1.066 57.113 56.100 -0.088 0.000 0.967 141 R CB -0.473 29.792 30.300 -0.058 0.000 0.861 141 R HN 0.332 nan 8.270 nan 0.000 0.442 142 I N 0.876 121.303 120.570 -0.239 0.000 2.133 142 I HA -0.211 3.959 4.170 -0.000 0.000 0.238 142 I C 2.402 178.455 176.117 -0.107 0.000 1.074 142 I CA 1.308 62.485 61.300 -0.205 0.000 1.342 142 I CB -1.127 36.682 38.000 -0.319 0.000 1.053 142 I HN 0.122 nan 8.210 nan 0.000 0.404 143 R N 0.468 120.904 120.500 -0.108 0.000 2.170 143 R HA -0.185 4.154 4.340 -0.000 0.000 0.242 143 R C 2.262 178.540 176.300 -0.036 0.000 1.145 143 R CA 1.532 57.593 56.100 -0.065 0.000 0.984 143 R CB -0.225 30.038 30.300 -0.063 0.000 0.869 143 R HN 0.442 nan 8.270 nan 0.000 0.455 144 A N 0.321 123.121 122.820 -0.034 0.000 1.898 144 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 144 A C 2.237 179.829 177.584 0.013 0.000 1.181 144 A CA 1.517 53.547 52.037 -0.012 0.000 0.620 144 A CB -0.431 18.561 19.000 -0.015 0.000 0.819 144 A HN 0.414 nan 8.150 nan 0.000 0.442 145 A N -0.154 122.685 122.820 0.032 0.000 1.970 145 A HA 0.112 4.432 4.320 -0.000 0.000 0.216 145 A C 2.240 179.877 177.584 0.087 0.000 1.170 145 A CA 1.736 53.833 52.037 0.099 0.000 0.645 145 A CB -0.943 18.169 19.000 0.186 0.000 0.816 145 A HN 0.975 nan 8.150 nan 0.000 0.447 146 V N -2.327 117.611 119.914 0.038 0.000 2.407 146 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 146 V C 2.169 178.279 176.094 0.026 0.000 1.041 146 V CA 1.865 64.183 62.300 0.029 0.000 1.040 146 V CB -1.387 30.439 31.823 0.004 0.000 0.671 146 V HN 0.538 nan 8.190 nan 0.000 0.455 147 Q N 1.115 120.923 119.800 0.013 0.000 2.061 147 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 147 Q C 2.481 178.494 176.000 0.021 0.000 0.984 147 Q CA 2.144 57.954 55.803 0.011 0.000 0.846 147 Q CB -0.573 28.166 28.738 0.002 0.000 0.902 147 Q HN 0.747 nan 8.270 nan 0.000 0.421 148 A N 0.883 123.721 122.820 0.029 0.000 1.972 148 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 148 A C 1.987 179.599 177.584 0.046 0.000 1.169 148 A CA 1.367 53.424 52.037 0.033 0.000 0.635 148 A CB -0.411 18.609 19.000 0.034 0.000 0.810 148 A HN 0.206 nan 8.150 nan 0.000 0.446 149 R N -0.749 119.788 120.500 0.062 0.000 2.055 149 R HA -0.132 4.208 4.340 -0.000 0.000 0.228 149 R C 2.466 178.795 176.300 0.050 0.000 1.143 149 R CA 1.806 57.949 56.100 0.073 0.000 0.945 149 R CB -0.293 30.058 30.300 0.085 0.000 0.841 149 R HN 0.672 nan 8.270 nan 0.000 0.429 150 Q N -0.186 119.637 119.800 0.038 0.000 2.050 150 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 150 Q C 2.120 178.134 176.000 0.024 0.000 0.980 150 Q CA 1.582 57.401 55.803 0.028 0.000 0.840 150 Q CB -0.085 28.665 28.738 0.020 0.000 0.898 150 Q HN 0.254 nan 8.270 nan 0.000 0.424 151 R N 0.326 120.839 120.500 0.021 0.000 2.185 151 R HA -0.189 4.151 4.340 -0.000 0.000 0.247 151 R C 2.006 178.318 176.300 0.020 0.000 1.159 151 R CA 1.669 57.779 56.100 0.018 0.000 0.988 151 R CB -0.467 29.841 30.300 0.014 0.000 0.871 151 R HN 0.484 nan 8.270 nan 0.000 0.458 152 I N -4.955 115.631 120.570 0.026 0.000 4.139 152 I HA 0.399 4.569 4.170 -0.000 0.000 0.335 152 I C 0.826 176.961 176.117 0.029 0.000 1.327 152 I CA 0.262 61.578 61.300 0.027 0.000 1.112 152 I CB 0.924 38.941 38.000 0.029 0.000 1.058 152 I HN 0.059 nan 8.210 nan 0.000 0.396 153 G N 2.195 111.014 108.800 0.032 0.000 2.225 153 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 153 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 153 G C 0.152 175.075 174.900 0.039 0.000 1.060 153 G CA 0.435 45.554 45.100 0.032 0.000 0.833 153 G HN 0.599 nan 8.290 nan 0.000 0.498 154 S N -0.813 114.917 115.700 0.051 0.000 2.565 154 S HA 0.459 4.929 4.470 -0.000 0.000 0.274 154 S C 1.094 175.733 174.600 0.065 0.000 1.309 154 S CA -0.097 58.141 58.200 0.063 0.000 1.043 154 S CB 0.869 64.121 63.200 0.086 0.000 0.939 154 S HN 0.193 nan 8.310 nan 0.000 0.504 155 D N 3.039 123.476 120.400 0.062 0.000 2.349 155 D HA 0.094 4.734 4.640 -0.000 0.000 0.224 155 D C 0.689 177.031 176.300 0.071 0.000 1.029 155 D CA 0.139 54.174 54.000 0.058 0.000 0.879 155 D CB -0.199 40.630 40.800 0.048 0.000 0.906 155 D HN 0.603 nan 8.370 nan 0.000 0.528 156 I N 1.347 121.980 120.570 0.104 0.000 2.989 156 I HA -0.206 3.963 4.170 -0.000 0.000 0.311 156 I C -0.091 176.072 176.117 0.077 0.000 1.221 156 I CA 0.279 61.666 61.300 0.146 0.000 1.449 156 I CB 0.650 38.823 38.000 0.288 0.000 1.325 156 I HN -0.325 nan 8.210 nan 0.000 0.557 157 V N 8.603 128.536 119.914 0.031 0.000 2.432 157 V HA 0.123 4.243 4.120 -0.000 0.000 0.271 157 V C 0.064 176.031 176.094 -0.210 0.000 1.046 157 V CA -0.457 61.816 62.300 -0.044 0.000 0.945 157 V CB 1.316 33.129 31.823 -0.018 0.000 0.992 157 V HN 0.398 nan 8.190 nan 0.000 0.471 158 V N 7.464 127.255 119.914 -0.205 0.000 2.318 158 V HA 0.377 4.497 4.120 -0.000 0.000 0.271 158 V C 0.127 176.132 176.094 -0.149 0.000 1.030 158 V CA -0.222 61.874 62.300 -0.340 0.000 0.844 158 V CB 1.005 32.708 31.823 -0.200 0.000 1.015 158 V HN 0.654 nan 8.190 nan 0.000 0.460 159 I N 4.862 125.335 120.570 -0.162 0.000 2.287 159 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 159 I C 0.875 177.055 176.117 0.106 0.000 1.069 159 I CA -0.163 61.149 61.300 0.021 0.000 1.237 159 I CB 1.066 39.135 38.000 0.115 0.000 1.418 159 I HN 0.616 nan 8.210 nan 0.000 0.481 160 A N 7.488 130.405 122.820 0.161 0.000 2.396 160 A HA 0.369 4.689 4.320 -0.000 0.000 0.279 160 A C 0.269 177.996 177.584 0.239 0.000 1.165 160 A CA -0.306 51.867 52.037 0.226 0.000 0.824 160 A CB 0.112 19.281 19.000 0.282 0.000 1.100 160 A HN 0.831 nan 8.150 nan 0.000 0.516 161 R N 2.460 123.037 120.500 0.130 0.000 2.387 161 R HA 0.501 4.841 4.340 -0.000 0.000 0.314 161 R C -0.581 175.578 176.300 -0.235 0.000 0.958 161 R CA -0.104 55.869 56.100 -0.212 0.000 0.846 161 R CB 1.214 31.010 30.300 -0.839 0.000 1.147 161 R HN 0.566 nan 8.270 nan 0.000 0.447 162 T N 1.806 116.222 114.554 -0.230 0.000 2.867 162 T HA 0.216 4.566 4.350 -0.000 0.000 0.282 162 T C -0.256 174.281 174.700 -0.273 0.000 1.000 162 T CA -0.536 61.379 62.100 -0.309 0.000 1.042 162 T CB 1.205 69.921 68.868 -0.253 0.000 0.973 162 T HN 0.742 nan 8.240 nan 0.000 0.465 163 D N 1.438 121.674 120.400 -0.273 0.000 2.440 163 D HA 0.133 4.773 4.640 -0.000 0.000 0.216 163 D C 1.644 177.870 176.300 -0.123 0.000 1.150 163 D CA 0.005 53.891 54.000 -0.190 0.000 0.832 163 D CB 0.462 41.151 40.800 -0.185 0.000 0.992 163 D HN 0.531 nan 8.370 nan 0.000 0.502 164 S N -0.345 115.272 115.700 -0.138 0.000 2.496 164 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 164 S C 1.846 176.454 174.600 0.013 0.000 0.996 164 S CA -0.090 58.054 58.200 -0.092 0.000 0.927 164 S CB -0.076 63.008 63.200 -0.193 0.000 0.774 164 S HN 0.195 nan 8.310 nan 0.000 0.524 165 L N 2.598 123.825 121.223 0.007 0.000 1.978 165 L HA -0.261 4.079 4.340 -0.000 0.000 0.218 165 L C 2.657 179.566 176.870 0.064 0.000 1.075 165 L CA 2.620 57.490 54.840 0.051 0.000 0.767 165 L CB -0.782 41.316 42.059 0.066 0.000 0.890 165 L HN 0.558 nan 8.230 nan 0.000 0.434 166 Q N -2.033 117.794 119.800 0.045 0.000 2.245 166 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 166 Q C 1.317 177.333 176.000 0.028 0.000 0.955 166 Q CA 1.543 57.368 55.803 0.036 0.000 0.870 166 Q CB -0.631 28.120 28.738 0.022 0.000 0.945 166 Q HN 0.601 nan 8.270 nan 0.000 0.461 167 T N -4.287 110.293 114.554 0.043 0.000 3.129 167 T HA 0.314 4.664 4.350 -0.000 0.000 0.267 167 T C 0.192 174.863 174.700 -0.048 0.000 1.018 167 T CA -0.078 62.025 62.100 0.004 0.000 0.903 167 T CB 0.139 69.028 68.868 0.035 0.000 1.067 167 T HN 0.354 nan 8.240 nan 0.000 0.549 168 H N 0.197 119.257 119.070 -0.016 0.000 3.881 168 H HA 0.496 5.052 4.556 -0.000 0.000 0.256 168 H C 0.946 176.271 175.328 -0.005 0.000 1.069 168 H CA 0.379 56.416 56.048 -0.018 0.000 1.145 168 H CB 1.406 31.145 29.762 -0.038 0.000 1.445 168 H HN 0.636 nan 8.280 nan 0.000 0.700 169 G N -0.113 108.755 108.800 0.113 0.000 2.675 169 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.686 169 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.686 169 G C 0.050 175.014 174.900 0.107 0.000 1.215 169 G CA -0.130 45.031 45.100 0.100 0.000 0.777 169 G HN 0.214 nan 8.290 nan 0.000 0.638 170 Y N 0.718 121.039 120.300 0.036 0.000 2.096 170 Y HA -0.229 4.321 4.550 -0.000 0.000 0.278 170 Y C 2.704 178.627 175.900 0.039 0.000 1.192 170 Y CA 3.021 61.143 58.100 0.037 0.000 1.143 170 Y CB 0.133 38.613 38.460 0.033 0.000 0.963 170 Y HN 0.629 nan 8.280 nan 0.000 0.505 171 E N -0.026 120.148 120.200 -0.042 0.000 2.150 171 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 171 E C 2.100 178.624 176.600 -0.126 0.000 0.985 171 E CA 1.372 57.708 56.400 -0.108 0.000 0.814 171 E CB -0.284 29.434 29.700 0.030 0.000 0.752 171 E HN 0.683 nan 8.360 nan 0.000 0.466 172 E N 0.850 121.009 120.200 -0.067 0.000 2.047 172 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 172 E C 2.109 178.643 176.600 -0.110 0.000 0.987 172 E CA 1.462 57.829 56.400 -0.054 0.000 0.799 172 E CB -0.150 29.560 29.700 0.015 0.000 0.752 172 E HN -0.054 nan 8.360 nan 0.000 0.449 173 S N -0.497 115.118 115.700 -0.142 0.000 2.365 173 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 173 S C 1.936 176.448 174.600 -0.147 0.000 1.039 173 S CA 1.373 59.484 58.200 -0.148 0.000 1.033 173 S CB -0.420 62.694 63.200 -0.143 0.000 0.887 173 S HN 0.223 nan 8.310 nan 0.000 0.447 174 V N 2.082 121.843 119.914 -0.255 0.000 2.233 174 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 174 V C 2.660 178.712 176.094 -0.069 0.000 1.050 174 V CA 1.857 64.040 62.300 -0.195 0.000 1.010 174 V CB -1.449 30.179 31.823 -0.325 0.000 0.637 174 V HN 0.559 nan 8.190 nan 0.000 0.444 175 A N -0.014 122.760 122.820 -0.075 0.000 1.884 175 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 175 A C 2.372 179.955 177.584 -0.002 0.000 1.197 175 A CA 2.443 54.460 52.037 -0.034 0.000 0.637 175 A CB -0.669 18.310 19.000 -0.036 0.000 0.827 175 A HN 0.525 nan 8.150 nan 0.000 0.450 176 R N -0.965 119.529 120.500 -0.010 0.000 2.103 176 R HA -0.112 4.228 4.340 -0.000 0.000 0.242 176 R C 2.090 178.486 176.300 0.159 0.000 1.142 176 R CA 1.615 57.742 56.100 0.046 0.000 0.960 176 R CB -0.512 29.731 30.300 -0.093 0.000 0.858 176 R HN 0.547 nan 8.270 nan 0.000 0.439 177 L N -0.275 121.019 121.223 0.118 0.000 2.217 177 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 177 L C 2.467 179.418 176.870 0.136 0.000 1.107 177 L CA 1.130 56.104 54.840 0.223 0.000 0.783 177 L CB -0.134 42.075 42.059 0.250 0.000 0.919 177 L HN 0.106 nan 8.230 nan 0.000 0.442 178 R N -0.617 119.903 120.500 0.033 0.000 2.090 178 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 178 R C 2.425 178.664 176.300 -0.102 0.000 1.110 178 R CA 1.140 57.198 56.100 -0.071 0.000 0.973 178 R CB -0.338 29.929 30.300 -0.054 0.000 0.869 178 R HN 0.316 nan 8.270 nan 0.000 0.440 179 A N 1.064 123.866 122.820 -0.030 0.000 1.877 179 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 179 A C 2.316 179.854 177.584 -0.077 0.000 1.186 179 A CA 1.786 53.801 52.037 -0.037 0.000 0.620 179 A CB -0.858 18.155 19.000 0.021 0.000 0.822 179 A HN 0.405 nan 8.150 nan 0.000 0.443 180 A N -0.181 122.626 122.820 -0.022 0.000 1.849 180 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 180 A C 2.302 179.788 177.584 -0.162 0.000 1.202 180 A CA 2.046 54.049 52.037 -0.057 0.000 0.629 180 A CB -0.706 18.390 19.000 0.161 0.000 0.834 180 A HN 0.538 nan 8.150 nan 0.000 0.447 181 R N -0.232 120.045 120.500 -0.372 0.000 2.096 181 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 181 R C 1.089 177.108 176.300 -0.467 0.000 1.139 181 R CA 2.252 57.849 56.100 -0.838 0.000 0.952 181 R CB -0.610 28.898 30.300 -1.321 0.000 0.854 181 R HN 0.490 nan 8.270 nan 0.000 0.436 182 D N -0.468 119.746 120.400 -0.310 0.000 2.371 182 D HA -0.020 4.620 4.640 -0.000 0.000 0.221 182 D C 0.704 176.912 176.300 -0.152 0.000 0.986 182 D CA 0.952 54.830 54.000 -0.204 0.000 0.899 182 D CB 0.319 41.028 40.800 -0.151 0.000 0.902 182 D HN 0.356 nan 8.370 nan 0.000 0.530 183 A N -0.377 122.351 122.820 -0.153 0.000 2.460 183 A HA 0.546 4.866 4.320 -0.000 0.000 0.258 183 A C 1.438 178.962 177.584 -0.100 0.000 1.300 183 A CA 0.272 52.238 52.037 -0.117 0.000 0.913 183 A CB -0.292 18.632 19.000 -0.127 0.000 1.031 183 A HN 0.134 nan 8.150 nan 0.000 0.512 184 G N -0.988 107.743 108.800 -0.115 0.000 2.212 184 G HA2 0.135 4.095 3.960 -0.000 0.000 0.255 184 G HA3 0.135 4.095 3.960 -0.000 0.000 0.255 184 G C 0.299 175.189 174.900 -0.017 0.000 1.062 184 G CA 0.263 45.321 45.100 -0.071 0.000 0.815 184 G HN 1.590 nan 8.290 nan 0.000 0.497 185 A N -0.398 122.426 122.820 0.007 0.000 2.327 185 A HA 0.650 4.970 4.320 -0.000 0.000 0.283 185 A C 1.174 178.998 177.584 0.400 0.000 1.127 185 A CA 0.388 52.531 52.037 0.177 0.000 0.810 185 A CB 0.534 19.702 19.000 0.280 0.000 1.066 185 A HN 0.200 nan 8.150 nan 0.000 0.492 186 D N 0.505 121.092 120.400 0.311 0.000 2.137 186 D HA 0.025 4.665 4.640 -0.000 0.000 0.202 186 D C 0.269 176.742 176.300 0.288 0.000 0.970 186 D CA 1.602 55.791 54.000 0.316 0.000 0.837 186 D CB 0.085 40.948 40.800 0.105 0.000 0.981 186 D HN 0.267 nan 8.370 nan 0.000 0.475 187 V N 0.125 120.048 119.914 0.015 0.000 2.735 187 V HA 0.587 4.707 4.120 -0.000 0.000 0.310 187 V C 0.436 176.122 176.094 -0.680 0.000 1.061 187 V CA -1.107 60.905 62.300 -0.480 0.000 0.913 187 V CB 1.976 33.654 31.823 -0.241 0.000 1.005 187 V HN 0.062 nan 8.190 nan 0.000 0.428 188 G N 1.851 109.929 108.800 -1.204 0.000 2.400 188 G HA2 0.637 4.597 3.960 -0.000 0.000 0.301 188 G HA3 0.637 4.597 3.960 -0.000 0.000 0.301 188 G C -1.185 173.635 174.900 -0.134 0.000 1.154 188 G CA -0.317 44.361 45.100 -0.702 0.000 0.852 188 G HN 0.699 nan 8.290 nan 0.000 0.511 189 F N 3.461 123.337 119.950 -0.124 0.000 3.034 189 F HA 0.345 4.872 4.527 -0.000 0.000 0.371 189 F C -0.743 175.018 175.800 -0.066 0.000 1.233 189 F CA -1.150 56.784 58.000 -0.110 0.000 1.134 189 F CB 1.087 40.005 39.000 -0.138 0.000 1.495 189 F HN 0.246 nan 8.300 nan 0.000 0.563 190 L N 5.975 127.416 121.223 0.363 0.000 2.282 190 L HA 0.249 4.589 4.340 -0.000 0.000 0.287 190 L C -0.180 176.859 176.870 0.282 0.000 1.075 190 L CA -0.138 54.843 54.840 0.235 0.000 0.839 190 L CB 0.616 42.788 42.059 0.188 0.000 1.219 190 L HN 0.677 nan 8.230 nan 0.000 0.434 191 E N 4.213 124.520 120.200 0.178 0.000 2.324 191 E HA 0.351 4.701 4.350 -0.000 0.000 0.271 191 E C 0.728 177.381 176.600 0.088 0.000 1.028 191 E CA 0.564 57.066 56.400 0.170 0.000 0.890 191 E CB 0.685 30.313 29.700 -0.120 0.000 1.004 191 E HN 0.742 nan 8.360 nan 0.000 0.431 192 G N 5.574 114.426 108.800 0.088 0.000 2.256 192 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.272 192 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.272 192 G C 0.237 175.166 174.900 0.049 0.000 1.076 192 G CA -0.038 45.088 45.100 0.042 0.000 0.882 192 G HN 0.589 nan 8.290 nan 0.000 0.497 193 I N 0.837 121.442 120.570 0.058 0.000 2.906 193 I HA -0.060 4.110 4.170 -0.000 0.000 0.302 193 I C 1.929 178.075 176.117 0.049 0.000 1.220 193 I CA 1.553 62.898 61.300 0.076 0.000 1.441 193 I CB -0.007 38.041 38.000 0.079 0.000 1.336 193 I HN 0.438 nan 8.210 nan 0.000 0.565 194 T N 0.919 115.504 114.554 0.052 0.000 3.057 194 T HA 0.078 4.428 4.350 -0.000 0.000 0.254 194 T C 0.660 175.372 174.700 0.019 0.000 1.094 194 T CA 0.358 62.476 62.100 0.030 0.000 1.088 194 T CB 0.092 68.977 68.868 0.028 0.000 0.934 194 T HN 0.755 nan 8.240 nan 0.000 0.497 195 S N -0.646 115.066 115.700 0.020 0.000 2.625 195 S HA 0.526 4.995 4.470 -0.000 0.000 0.271 195 S C 0.301 174.920 174.600 0.031 0.000 1.161 195 S CA -1.221 56.988 58.200 0.015 0.000 0.820 195 S CB 1.835 65.032 63.200 -0.005 0.000 1.137 195 S HN 0.084 nan 8.310 nan 0.000 0.470 196 R N 0.577 121.095 120.500 0.031 0.000 2.120 196 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 196 R C 2.150 178.463 176.300 0.022 0.000 1.123 196 R CA 1.708 57.835 56.100 0.045 0.000 0.975 196 R CB -0.361 29.960 30.300 0.036 0.000 0.866 196 R HN 0.883 nan 8.270 nan 0.000 0.446 197 E N 1.090 121.286 120.200 -0.007 0.000 2.031 197 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 197 E C 2.041 178.600 176.600 -0.069 0.000 0.994 197 E CA 1.369 57.746 56.400 -0.039 0.000 0.800 197 E CB -0.061 29.607 29.700 -0.053 0.000 0.752 197 E HN 0.209 nan 8.360 nan 0.000 0.447 198 M N 0.334 119.883 119.600 -0.084 0.000 2.108 198 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 198 M C 2.247 178.551 176.300 0.006 0.000 1.066 198 M CA 1.930 57.151 55.300 -0.132 0.000 1.107 198 M CB -0.204 32.344 32.600 -0.087 0.000 1.356 198 M HN 0.276 nan 8.290 nan 0.000 0.406 199 A N 0.866 123.740 122.820 0.090 0.000 1.873 199 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 199 A C 2.074 179.664 177.584 0.011 0.000 1.193 199 A CA 2.255 54.413 52.037 0.201 0.000 0.629 199 A CB -0.857 18.339 19.000 0.326 0.000 0.826 199 A HN 0.625 nan 8.150 nan 0.000 0.447 200 R N -1.404 119.079 120.500 -0.027 0.000 2.120 200 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 200 R C 2.432 178.697 176.300 -0.059 0.000 1.123 200 R CA 1.209 57.259 56.100 -0.084 0.000 0.975 200 R CB -0.247 30.021 30.300 -0.054 0.000 0.866 200 R HN 0.487 nan 8.270 nan 0.000 0.446 201 Q N 0.437 120.216 119.800 -0.036 0.000 2.084 201 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 201 Q C 2.178 178.244 176.000 0.111 0.000 0.978 201 Q CA 1.201 57.000 55.803 -0.007 0.000 0.844 201 Q CB -0.398 28.253 28.738 -0.146 0.000 0.898 201 Q HN 0.179 nan 8.270 nan 0.000 0.426 202 V N 0.769 120.776 119.914 0.156 0.000 2.307 202 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 202 V C 2.196 178.346 176.094 0.092 0.000 1.045 202 V CA 1.295 63.734 62.300 0.232 0.000 1.024 202 V CB -0.324 31.666 31.823 0.279 0.000 0.651 202 V HN 0.305 nan 8.190 nan 0.000 0.449 203 I N -0.429 120.111 120.570 -0.051 0.000 2.264 203 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 203 I C 2.473 178.570 176.117 -0.033 0.000 1.111 203 I CA 1.972 63.194 61.300 -0.129 0.000 1.382 203 I CB -0.406 37.390 38.000 -0.340 0.000 1.060 203 I HN 0.370 nan 8.210 nan 0.000 0.418 204 Q N 0.627 120.421 119.800 -0.011 0.000 2.269 204 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 204 Q C 1.247 177.279 176.000 0.052 0.000 0.946 204 Q CA 1.139 56.951 55.803 0.014 0.000 0.877 204 Q CB 0.253 28.994 28.738 0.005 0.000 0.963 204 Q HN 0.384 nan 8.270 nan 0.000 0.472 205 D N -0.904 119.549 120.400 0.089 0.000 2.350 205 D HA 0.084 4.724 4.640 -0.000 0.000 0.213 205 D C 0.121 176.483 176.300 0.103 0.000 1.031 205 D CA 0.454 54.516 54.000 0.103 0.000 0.861 205 D CB 0.609 41.502 40.800 0.154 0.000 0.926 205 D HN 0.202 nan 8.370 nan 0.000 0.520 206 L N 0.114 121.409 121.223 0.121 0.000 3.358 206 L HA 0.366 4.706 4.340 -0.000 0.000 0.301 206 L C 0.170 177.143 176.870 0.173 0.000 1.276 206 L CA -0.272 54.677 54.840 0.183 0.000 1.028 206 L CB 0.677 42.902 42.059 0.277 0.000 1.421 206 L HN -0.189 nan 8.230 nan 0.000 0.604 207 A N -0.262 122.617 122.820 0.099 0.000 2.587 207 A HA 0.369 4.689 4.320 -0.000 0.000 0.235 207 A C 1.560 179.207 177.584 0.105 0.000 1.044 207 A CA 1.184 53.263 52.037 0.071 0.000 0.754 207 A CB -0.248 18.775 19.000 0.039 0.000 0.968 207 A HN 0.772 nan 8.150 nan 0.000 0.509 208 G N 0.471 109.332 108.800 0.101 0.000 2.284 208 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.230 208 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.230 208 G C 0.051 175.075 174.900 0.207 0.000 1.021 208 G CA 0.424 45.595 45.100 0.118 0.000 0.619 208 G HN 1.611 nan 8.290 nan 0.000 0.510 209 W N 4.179 125.482 121.300 0.005 0.000 2.390 209 W HA 0.698 5.358 4.660 -0.000 0.000 0.312 209 W C -2.257 174.272 176.519 0.017 0.000 1.123 209 W CA -2.899 54.452 57.345 0.011 0.000 1.202 209 W CB 0.913 30.381 29.460 0.013 0.000 1.251 209 W HN 0.068 nan 8.180 nan 0.000 0.511 210 P HA 0.115 nan 4.420 nan 0.000 0.269 210 P C -1.022 175.984 177.300 -0.491 0.000 1.209 210 P CA 0.130 63.063 63.100 -0.278 0.000 0.776 210 P CB 0.688 32.261 31.700 -0.211 0.000 0.876 211 L N 1.771 122.845 121.223 -0.249 0.000 2.322 211 L HA 0.639 4.979 4.340 -0.000 0.000 0.252 211 L C -0.561 176.249 176.870 -0.100 0.000 1.055 211 L CA -0.692 54.033 54.840 -0.190 0.000 0.849 211 L CB 1.193 43.251 42.059 -0.002 0.000 1.446 211 L HN 0.244 nan 8.230 nan 0.000 0.416 212 L N 1.400 122.503 121.223 -0.199 0.000 2.409 212 L HA 0.709 5.049 4.340 -0.000 0.000 0.272 212 L C -1.717 174.765 176.870 -0.648 0.000 0.980 212 L CA -0.683 53.894 54.840 -0.438 0.000 0.826 212 L CB 1.800 43.546 42.059 -0.523 0.000 1.268 212 L HN 0.545 nan 8.230 nan 0.000 0.407 213 L N 4.717 125.470 121.223 -0.784 0.000 2.272 213 L HA 0.511 4.851 4.340 -0.000 0.000 0.289 213 L C -0.552 175.849 176.870 -0.782 0.000 1.032 213 L CA 0.021 54.330 54.840 -0.885 0.000 0.810 213 L CB 1.211 42.579 42.059 -1.151 0.000 1.205 213 L HN 0.694 nan 8.230 nan 0.000 0.422 214 N N 4.973 123.236 118.700 -0.728 0.000 2.401 214 N HA 0.210 4.950 4.740 -0.000 0.000 0.255 214 N C -0.719 174.586 175.510 -0.341 0.000 1.110 214 N CA -0.042 52.688 53.050 -0.533 0.000 0.949 214 N CB 0.593 38.893 38.487 -0.313 0.000 1.110 214 N HN 0.652 nan 8.380 nan 0.000 0.490 215 M N 5.345 124.746 119.600 -0.331 0.000 2.741 215 M HA 0.325 4.805 4.480 -0.000 0.000 0.283 215 M C -1.614 174.695 176.300 0.015 0.000 1.176 215 M CA -0.748 54.469 55.300 -0.138 0.000 1.139 215 M CB 0.352 32.908 32.600 -0.074 0.000 1.234 215 M HN 0.107 nan 8.290 nan 0.000 0.497 216 V N 3.716 123.609 119.914 -0.035 0.000 2.385 216 V HA 0.290 4.410 4.120 -0.000 0.000 0.269 216 V C 0.326 176.359 176.094 -0.102 0.000 1.043 216 V CA -0.656 61.627 62.300 -0.028 0.000 0.906 216 V CB 0.826 32.616 31.823 -0.054 0.000 0.995 216 V HN 0.620 nan 8.190 nan 0.000 0.467 217 E N 4.414 124.508 120.200 -0.176 0.000 2.390 217 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 217 E C -0.301 176.002 176.600 -0.494 0.000 1.076 217 E CA -0.391 55.743 56.400 -0.442 0.000 0.905 217 E CB 0.219 29.509 29.700 -0.684 0.000 0.984 217 E HN 0.810 nan 8.360 nan 0.000 0.427 218 H N -0.714 118.346 119.070 -0.017 0.000 2.969 218 H HA -0.122 4.434 4.556 -0.000 0.000 0.347 218 H C 0.005 175.306 175.328 -0.046 0.000 1.235 218 H CA 0.747 56.778 56.048 -0.029 0.000 1.179 218 H CB -1.846 27.896 29.762 -0.033 0.000 1.578 218 H HN 0.814 nan 8.280 nan 0.000 0.431 219 G N -1.286 107.530 108.800 0.027 0.000 2.561 219 G HA2 0.582 4.542 3.960 -0.000 0.000 0.310 219 G HA3 0.582 4.542 3.960 -0.000 0.000 0.310 219 G C 0.600 175.501 174.900 0.002 0.000 1.292 219 G CA -0.284 44.818 45.100 0.003 0.000 0.811 219 G HN 0.503 nan 8.290 nan 0.000 0.482 220 A N -0.947 121.873 122.820 -0.001 0.000 2.093 220 A HA 0.156 4.476 4.320 -0.000 0.000 0.222 220 A C 1.311 178.897 177.584 0.004 0.000 1.162 220 A CA 2.201 54.241 52.037 0.005 0.000 0.655 220 A CB -0.694 18.311 19.000 0.009 0.000 0.805 220 A HN 0.763 nan 8.150 nan 0.000 0.461 221 T N 2.284 116.832 114.554 -0.009 0.000 2.749 221 T HA 0.478 4.828 4.350 -0.000 0.000 0.287 221 T C -2.589 172.102 174.700 -0.015 0.000 0.970 221 T CA -1.122 60.968 62.100 -0.016 0.000 0.980 221 T CB 1.581 70.424 68.868 -0.041 0.000 0.924 221 T HN 0.180 nan 8.240 nan 0.000 0.456 222 P HA 0.174 nan 4.420 nan 0.000 0.272 222 P C -0.320 176.979 177.300 -0.002 0.000 1.223 222 P CA -0.457 62.646 63.100 0.005 0.000 0.784 222 P CB 0.517 32.226 31.700 0.015 0.000 0.923 223 S N 1.518 117.219 115.700 0.002 0.000 2.429 223 S HA 0.218 4.688 4.470 -0.000 0.000 0.292 223 S C 0.382 174.998 174.600 0.026 0.000 1.183 223 S CA -0.160 58.041 58.200 0.002 0.000 1.088 223 S CB -1.173 62.025 63.200 -0.003 0.000 1.018 223 S HN 0.208 nan 8.310 nan 0.000 0.511 224 I N 3.781 124.373 120.570 0.036 0.000 2.339 224 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 224 I C 0.789 176.970 176.117 0.106 0.000 0.994 224 I CA -0.548 60.785 61.300 0.056 0.000 1.191 224 I CB 1.630 39.655 38.000 0.042 0.000 1.343 224 I HN 0.532 nan 8.210 nan 0.000 0.458 225 S N 4.802 120.562 115.700 0.099 0.000 2.589 225 S HA 0.280 4.750 4.470 -0.000 0.000 0.265 225 S C 1.278 175.980 174.600 0.172 0.000 1.342 225 S CA -0.036 58.239 58.200 0.125 0.000 1.005 225 S CB 1.445 64.684 63.200 0.065 0.000 0.909 225 S HN 0.733 nan 8.310 nan 0.000 0.555 226 A N 2.425 125.388 122.820 0.238 0.000 1.851 226 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 226 A C 2.482 180.072 177.584 0.010 0.000 1.195 226 A CA 2.055 54.243 52.037 0.252 0.000 0.622 226 A CB -1.825 17.371 19.000 0.326 0.000 0.831 226 A HN 1.577 nan 8.150 nan 0.000 0.444 227 A N -0.779 122.018 122.820 -0.037 0.000 2.076 227 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 227 A C 1.971 179.487 177.584 -0.114 0.000 1.160 227 A CA 1.917 53.873 52.037 -0.135 0.000 0.653 227 A CB -0.500 18.457 19.000 -0.073 0.000 0.801 227 A HN 0.745 nan 8.150 nan 0.000 0.455 228 E N -0.356 119.828 120.200 -0.027 0.000 2.076 228 E HA 0.026 4.376 4.350 -0.000 0.000 0.190 228 E C 2.129 178.765 176.600 0.060 0.000 0.979 228 E CA 0.717 57.125 56.400 0.013 0.000 0.807 228 E CB -0.219 29.510 29.700 0.048 0.000 0.761 228 E HN 0.522 nan 8.360 nan 0.000 0.454 229 A N 1.656 124.548 122.820 0.119 0.000 1.933 229 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 229 A C 2.076 179.838 177.584 0.297 0.000 1.175 229 A CA 1.729 53.972 52.037 0.344 0.000 0.628 229 A CB -0.483 18.741 19.000 0.373 0.000 0.814 229 A HN 0.195 nan 8.150 nan 0.000 0.444 230 K N 0.102 120.373 120.400 -0.215 0.000 1.987 230 K HA -0.272 4.048 4.320 -0.000 0.000 0.216 230 K C 1.962 178.499 176.600 -0.104 0.000 1.051 230 K CA 2.206 58.191 56.287 -0.504 0.000 0.942 230 K CB -0.202 31.761 32.500 -0.894 0.000 0.722 230 K HN 0.640 nan 8.250 nan 0.000 0.444 231 E N 0.036 120.176 120.200 -0.101 0.000 2.435 231 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 231 E C 1.875 178.460 176.600 -0.026 0.000 1.029 231 E CA 0.745 57.114 56.400 -0.052 0.000 0.865 231 E CB -0.130 29.537 29.700 -0.056 0.000 0.833 231 E HN 0.313 nan 8.360 nan 0.000 0.510 232 M N 0.049 119.651 119.600 0.003 0.000 2.080 232 M HA -0.015 4.465 4.480 -0.000 0.000 0.260 232 M C 1.426 177.648 176.300 -0.130 0.000 1.068 232 M CA 2.279 57.556 55.300 -0.037 0.000 1.109 232 M CB -0.253 32.371 32.600 0.039 0.000 1.342 232 M HN 0.570 nan 8.290 nan 0.000 0.405 233 G N -1.459 107.285 108.800 -0.093 0.000 2.370 233 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.174 233 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.174 233 G C 0.040 174.869 174.900 -0.118 0.000 1.002 233 G CA -0.685 44.343 45.100 -0.119 0.000 0.730 233 G HN 0.305 nan 8.290 nan 0.000 0.497 234 F N 0.696 120.700 119.950 0.091 0.000 2.535 234 F HA 0.533 5.060 4.527 -0.000 0.000 0.332 234 F C 1.897 177.779 175.800 0.137 0.000 1.208 234 F CA 0.010 58.049 58.000 0.066 0.000 1.330 234 F CB 0.601 39.644 39.000 0.071 0.000 1.167 234 F HN -0.144 nan 8.300 nan 0.000 0.597 235 R N 0.586 121.167 120.500 0.135 0.000 2.507 235 R HA 0.387 4.727 4.340 -0.000 0.000 0.230 235 R C -0.576 175.399 176.300 -0.541 0.000 0.897 235 R CA 0.208 56.250 56.100 -0.097 0.000 1.006 235 R CB 0.349 30.608 30.300 -0.069 0.000 1.341 235 R HN 0.480 nan 8.270 nan 0.000 0.604 236 I N 0.548 120.793 120.570 -0.541 0.000 2.730 236 I HA 0.443 4.613 4.170 -0.000 0.000 0.298 236 I C -0.849 174.873 176.117 -0.659 0.000 1.089 236 I CA -0.835 60.050 61.300 -0.693 0.000 1.041 236 I CB 3.043 40.783 38.000 -0.433 0.000 1.235 236 I HN -0.191 nan 8.210 nan 0.000 0.423 237 I N 5.969 126.143 120.570 -0.660 0.000 2.465 237 I HA 0.585 4.755 4.170 -0.000 0.000 0.291 237 I C -1.047 174.628 176.117 -0.737 0.000 1.014 237 I CA -0.667 60.256 61.300 -0.628 0.000 1.093 237 I CB 1.365 39.110 38.000 -0.426 0.000 1.267 237 I HN 0.531 nan 8.210 nan 0.000 0.431 238 I N 3.159 123.232 120.570 -0.828 0.000 2.603 238 I HA 0.491 4.661 4.170 -0.000 0.000 0.300 238 I C -1.310 174.297 176.117 -0.850 0.000 1.017 238 I CA -0.437 60.404 61.300 -0.766 0.000 1.098 238 I CB 1.796 39.366 38.000 -0.717 0.000 1.279 238 I HN 0.417 nan 8.210 nan 0.000 0.437 239 F N 3.510 123.363 119.950 -0.163 0.000 2.532 239 F HA 0.417 4.944 4.527 -0.000 0.000 0.313 239 F C -1.757 174.041 175.800 -0.004 0.000 1.301 239 F CA -1.564 56.386 58.000 -0.083 0.000 1.154 239 F CB 0.418 39.380 39.000 -0.063 0.000 1.335 239 F HN 0.348 nan 8.300 nan 0.000 0.542 240 P HA -0.261 nan 4.420 nan 0.000 0.218 240 P C 1.339 178.833 177.300 0.323 0.000 1.150 240 P CA 1.597 64.830 63.100 0.221 0.000 0.841 240 P CB 0.015 31.817 31.700 0.171 0.000 0.784 241 F N -1.199 118.821 119.950 0.116 0.000 2.721 241 F HA 0.395 4.922 4.527 -0.000 0.000 0.301 241 F C 1.980 177.833 175.800 0.088 0.000 1.096 241 F CA 0.032 58.087 58.000 0.092 0.000 1.308 241 F CB -0.578 38.461 39.000 0.065 0.000 1.086 241 F HN -0.173 nan 8.300 nan 0.000 0.587 242 A N 0.752 123.658 122.820 0.144 0.000 1.971 242 A HA -0.394 3.926 4.320 -0.000 0.000 0.231 242 A C 2.315 179.878 177.584 -0.035 0.000 1.546 242 A CA 2.997 55.058 52.037 0.040 0.000 0.716 242 A CB -1.405 17.616 19.000 0.035 0.000 0.839 242 A HN 0.474 nan 8.150 nan 0.000 0.513 243 A N -2.754 120.039 122.820 -0.045 0.000 1.984 243 A HA 0.443 4.763 4.320 -0.000 0.000 0.203 243 A C 1.857 179.392 177.584 -0.081 0.000 1.292 243 A CA 0.854 52.894 52.037 0.005 0.000 0.782 243 A CB -0.260 18.816 19.000 0.127 0.000 0.924 243 A HN 0.368 nan 8.150 nan 0.000 0.475 244 L N 0.612 121.628 121.223 -0.346 0.000 2.056 244 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 244 L C 2.683 179.158 176.870 -0.658 0.000 1.078 244 L CA 1.753 56.225 54.840 -0.613 0.000 0.749 244 L CB -1.300 40.232 42.059 -0.879 0.000 0.901 244 L HN 0.390 nan 8.230 nan 0.000 0.433 245 G N 0.480 108.679 108.800 -1.002 0.000 2.721 245 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 245 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 245 G C -0.502 174.316 174.900 -0.138 0.000 1.265 245 G CA 1.237 46.084 45.100 -0.421 0.000 0.796 245 G HN 0.314 nan 8.290 nan 0.000 0.620 246 P HA -0.006 nan 4.420 nan 0.000 0.216 246 P C 2.221 179.502 177.300 -0.031 0.000 1.153 246 P CA 2.062 65.142 63.100 -0.033 0.000 0.848 246 P CB -0.247 31.443 31.700 -0.017 0.000 0.787 247 A N -0.640 122.154 122.820 -0.042 0.000 1.908 247 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 247 A C 2.367 179.941 177.584 -0.017 0.000 1.181 247 A CA 1.960 53.994 52.037 -0.006 0.000 0.627 247 A CB -1.711 17.318 19.000 0.047 0.000 0.818 247 A HN 0.073 nan 8.150 nan 0.000 0.445 248 V N -0.638 119.247 119.914 -0.049 0.000 2.488 248 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 248 V C 2.995 179.090 176.094 0.002 0.000 1.046 248 V CA 1.591 63.876 62.300 -0.024 0.000 1.053 248 V CB -0.846 30.959 31.823 -0.030 0.000 0.679 248 V HN 0.618 nan 8.190 nan 0.000 0.458 249 A N 0.034 122.858 122.820 0.006 0.000 1.902 249 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 249 A C 2.368 179.959 177.584 0.012 0.000 1.181 249 A CA 2.091 54.139 52.037 0.018 0.000 0.623 249 A CB -0.658 18.357 19.000 0.025 0.000 0.818 249 A HN 0.551 nan 8.150 nan 0.000 0.443 250 A N -0.813 122.011 122.820 0.006 0.000 1.929 250 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 250 A C 2.215 179.802 177.584 0.006 0.000 1.176 250 A CA 1.502 53.542 52.037 0.006 0.000 0.628 250 A CB -0.461 18.541 19.000 0.004 0.000 0.816 250 A HN 0.508 nan 8.150 nan 0.000 0.444 251 M N -1.287 118.317 119.600 0.007 0.000 2.254 251 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 251 M C 2.312 178.618 176.300 0.009 0.000 1.066 251 M CA 1.466 56.771 55.300 0.008 0.000 1.123 251 M CB -0.264 32.342 32.600 0.011 0.000 1.388 251 M HN 0.493 nan 8.290 nan 0.000 0.425 252 R N 1.340 121.847 120.500 0.010 0.000 2.070 252 R HA -0.197 4.143 4.340 -0.000 0.000 0.232 252 R C 1.993 178.299 176.300 0.010 0.000 1.138 252 R CA 2.355 58.462 56.100 0.012 0.000 0.936 252 R CB -0.164 30.145 30.300 0.016 0.000 0.839 252 R HN 0.503 nan 8.270 nan 0.000 0.429 253 E N 0.227 120.433 120.200 0.009 0.000 2.077 253 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 253 E C 1.982 178.585 176.600 0.005 0.000 0.989 253 E CA 1.107 57.511 56.400 0.007 0.000 0.800 253 E CB -0.396 29.308 29.700 0.007 0.000 0.746 253 E HN 0.429 nan 8.360 nan 0.000 0.452 254 A N 1.701 124.523 122.820 0.004 0.000 1.892 254 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 254 A C 2.299 179.885 177.584 0.003 0.000 1.188 254 A CA 1.966 54.005 52.037 0.003 0.000 0.631 254 A CB -0.454 18.547 19.000 0.002 0.000 0.822 254 A HN 0.195 nan 8.150 nan 0.000 0.447 255 M N -0.620 118.984 119.600 0.005 0.000 2.288 255 M HA -0.051 4.429 4.480 -0.000 0.000 0.266 255 M C 1.915 178.219 176.300 0.006 0.000 1.072 255 M CA 1.111 56.415 55.300 0.006 0.000 1.132 255 M CB -1.112 31.493 32.600 0.008 0.000 1.386 255 M HN 0.564 nan 8.290 nan 0.000 0.432 256 E N 0.105 120.309 120.200 0.006 0.000 2.072 256 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 256 E C 1.994 178.597 176.600 0.004 0.000 0.985 256 E CA 0.902 57.306 56.400 0.006 0.000 0.801 256 E CB -0.212 29.492 29.700 0.006 0.000 0.750 256 E HN 0.453 nan 8.360 nan 0.000 0.452 257 K N 0.866 121.269 120.400 0.004 0.000 2.044 257 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 257 K C 2.279 178.880 176.600 0.002 0.000 1.049 257 K CA 1.081 57.369 56.287 0.002 0.000 0.927 257 K CB -0.156 32.345 32.500 0.001 0.000 0.713 257 K HN 0.008 nan 8.250 nan 0.000 0.443 258 L N 1.861 123.086 121.223 0.003 0.000 1.970 258 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 258 L C 2.173 179.045 176.870 0.003 0.000 1.071 258 L CA 2.018 56.859 54.840 0.003 0.000 0.751 258 L CB -0.899 41.162 42.059 0.003 0.000 0.889 258 L HN 0.069 nan 8.230 nan 0.000 0.432 259 K N -0.380 120.023 120.400 0.004 0.000 2.077 259 K HA -0.275 4.045 4.320 -0.000 0.000 0.213 259 K C 2.422 179.024 176.600 0.004 0.000 1.051 259 K CA 2.207 58.496 56.287 0.005 0.000 0.929 259 K CB -0.319 32.184 32.500 0.005 0.000 0.715 259 K HN 0.310 nan 8.250 nan 0.000 0.451 260 R N -0.399 120.103 120.500 0.003 0.000 2.062 260 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 260 R C 1.374 177.675 176.300 0.002 0.000 1.128 260 R CA 1.927 58.028 56.100 0.003 0.000 0.960 260 R CB -0.038 30.264 30.300 0.003 0.000 0.855 260 R HN 0.248 nan 8.270 nan 0.000 0.432 261 D N -1.723 118.678 120.400 0.002 0.000 2.271 261 D HA 0.105 4.745 4.640 -0.000 0.000 0.206 261 D C 0.978 177.279 176.300 0.001 0.000 0.967 261 D CA 1.179 55.180 54.000 0.001 0.000 0.867 261 D CB 0.580 41.381 40.800 0.001 0.000 0.960 261 D HN 0.481 nan 8.370 nan 0.000 0.509 262 G N 0.685 109.487 108.800 0.002 0.000 2.159 262 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 262 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 262 G C 0.217 175.118 174.900 0.002 0.000 0.977 262 G CA 0.464 45.565 45.100 0.002 0.000 0.652 262 G HN 0.367 nan 8.290 nan 0.000 0.531 263 I N -1.007 119.564 120.570 0.001 0.000 2.752 263 I HA 0.539 4.709 4.170 -0.000 0.000 0.290 263 I C -2.143 173.973 176.117 -0.001 0.000 1.507 263 I CA -1.778 59.522 61.300 0.000 0.000 1.038 263 I CB 1.624 39.624 38.000 -0.000 0.000 1.390 263 I HN -0.116 nan 8.210 nan 0.000 0.435 264 P HA 0.167 nan 4.420 nan 0.000 0.219 264 P C 0.655 177.952 177.300 -0.006 0.000 1.150 264 P CA 1.377 64.474 63.100 -0.004 0.000 0.814 264 P CB 0.164 31.860 31.700 -0.006 0.000 0.787 265 G N -0.261 108.535 108.800 -0.007 0.000 2.295 265 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.287 265 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.287 265 G C -0.099 174.795 174.900 -0.011 0.000 1.055 265 G CA -0.298 44.797 45.100 -0.008 0.000 0.922 265 G HN 0.301 nan 8.290 nan 0.000 0.503 266 L N -0.082 121.132 121.223 -0.014 0.000 2.485 266 L HA 0.216 4.556 4.340 -0.000 0.000 0.275 266 L C 1.034 177.891 176.870 -0.021 0.000 1.207 266 L CA -0.182 54.646 54.840 -0.020 0.000 0.855 266 L CB 0.479 42.522 42.059 -0.027 0.000 1.114 266 L HN 0.395 nan 8.230 nan 0.000 0.485 267 D N 1.471 121.857 120.400 -0.023 0.000 2.425 267 D HA -0.020 4.620 4.640 -0.000 0.000 0.247 267 D C 1.010 177.294 176.300 -0.026 0.000 1.147 267 D CA -0.060 53.927 54.000 -0.022 0.000 0.879 267 D CB 0.962 41.750 40.800 -0.020 0.000 1.179 267 D HN 0.448 nan 8.370 nan 0.000 0.456 268 K N 2.997 123.384 120.400 -0.022 0.000 2.360 268 K HA -0.195 4.125 4.320 -0.000 0.000 0.201 268 K C 1.492 178.074 176.600 -0.029 0.000 1.046 268 K CA 1.097 57.370 56.287 -0.024 0.000 0.945 268 K CB 0.026 32.515 32.500 -0.018 0.000 0.750 268 K HN 0.511 nan 8.250 nan 0.000 0.464 269 E N 1.031 121.213 120.200 -0.030 0.000 2.268 269 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 269 E C 0.689 177.260 176.600 -0.049 0.000 0.995 269 E CA 0.616 56.995 56.400 -0.034 0.000 0.836 269 E CB 0.004 29.687 29.700 -0.028 0.000 0.763 269 E HN 0.389 nan 8.360 nan 0.000 0.491 270 M N 1.971 121.538 119.600 -0.055 0.000 3.435 270 M HA 0.050 4.530 4.480 -0.000 0.000 0.205 270 M C -0.043 176.198 176.300 -0.099 0.000 1.324 270 M CA 0.302 55.555 55.300 -0.079 0.000 1.455 270 M CB 0.001 32.560 32.600 -0.067 0.000 1.240 270 M HN -0.213 nan 8.290 nan 0.000 0.477 271 T N 0.695 115.191 114.554 -0.097 0.000 2.926 271 T HA 0.122 4.472 4.350 -0.000 0.000 0.307 271 T C -1.525 173.056 174.700 -0.199 0.000 1.059 271 T CA -1.474 60.562 62.100 -0.106 0.000 1.122 271 T CB 0.961 69.788 68.868 -0.067 0.000 0.972 271 T HN 0.232 nan 8.240 nan 0.000 0.545 272 P HA -0.132 nan 4.420 nan 0.000 0.216 272 P C 1.445 178.352 177.300 -0.656 0.000 1.154 272 P CA 1.253 64.039 63.100 -0.523 0.000 0.865 272 P CB 0.155 31.752 31.700 -0.172 0.000 0.789 273 Q N -1.359 118.345 119.800 -0.160 0.000 2.045 273 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 273 Q C 2.269 178.222 176.000 -0.078 0.000 0.991 273 Q CA 1.676 57.481 55.803 0.002 0.000 0.851 273 Q CB -1.038 27.719 28.738 0.031 0.000 0.911 273 Q HN 0.179 nan 8.270 nan 0.000 0.418 274 M N -0.212 119.317 119.600 -0.119 0.000 2.080 274 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 274 M C 1.522 177.733 176.300 -0.147 0.000 1.068 274 M CA 1.556 56.792 55.300 -0.106 0.000 1.109 274 M CB -0.301 32.245 32.600 -0.090 0.000 1.342 274 M HN 0.285 nan 8.290 nan 0.000 0.405 275 L N -0.043 121.010 121.223 -0.283 0.000 2.093 275 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 275 L C 2.236 178.994 176.870 -0.186 0.000 1.085 275 L CA 1.767 56.440 54.840 -0.280 0.000 0.755 275 L CB -1.657 40.170 42.059 -0.386 0.000 0.904 275 L HN 0.302 nan 8.230 nan 0.000 0.435 276 F N -0.827 119.105 119.950 -0.029 0.000 2.293 276 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 276 F C 2.569 178.341 175.800 -0.047 0.000 1.086 276 F CA 0.394 58.371 58.000 -0.038 0.000 1.375 276 F CB -0.298 38.676 39.000 -0.042 0.000 1.045 276 F HN 0.002 nan 8.300 nan 0.000 0.516 277 R N 0.209 120.768 120.500 0.098 0.000 2.189 277 R HA -0.069 4.271 4.340 -0.000 0.000 0.218 277 R C 2.001 178.310 176.300 0.016 0.000 1.074 277 R CA 0.673 56.797 56.100 0.039 0.000 0.991 277 R CB -0.240 30.066 30.300 0.011 0.000 0.883 277 R HN 0.182 nan 8.270 nan 0.000 0.457 278 V N -0.653 119.266 119.914 0.008 0.000 2.626 278 V HA -0.215 3.905 4.120 -0.000 0.000 0.252 278 V C 1.462 177.561 176.094 0.009 0.000 1.067 278 V CA 1.132 63.431 62.300 -0.001 0.000 1.081 278 V CB -0.053 31.760 31.823 -0.016 0.000 0.686 278 V HN 0.381 nan 8.190 nan 0.000 0.468 279 C N 0.950 120.270 119.300 0.034 0.000 2.647 279 C HA 0.594 5.054 4.460 -0.000 0.000 0.296 279 C C 1.734 176.738 174.990 0.023 0.000 1.403 279 C CA -0.053 58.986 59.018 0.035 0.000 1.781 279 C CB -1.047 26.738 27.740 0.075 0.000 2.464 279 C HN 0.804 nan 8.230 nan 0.000 0.559 280 G N 1.312 110.118 108.800 0.010 0.000 2.148 280 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 280 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 280 G C 0.849 175.729 174.900 -0.033 0.000 0.981 280 G CA 0.574 45.667 45.100 -0.012 0.000 0.670 280 G HN 0.513 nan 8.290 nan 0.000 0.528 281 L N 0.815 122.028 121.223 -0.017 0.000 2.040 281 L HA -0.215 4.125 4.340 -0.000 0.000 0.228 281 L C 2.329 179.117 176.870 -0.137 0.000 1.092 281 L CA 3.375 58.172 54.840 -0.072 0.000 0.805 281 L CB -0.467 41.590 42.059 -0.004 0.000 0.905 281 L HN 0.359 nan 8.230 nan 0.000 0.443 282 D N -0.727 119.621 120.400 -0.088 0.000 2.078 282 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 282 D C 2.079 178.332 176.300 -0.079 0.000 0.990 282 D CA 1.657 55.605 54.000 -0.088 0.000 0.827 282 D CB -0.286 40.485 40.800 -0.049 0.000 0.975 282 D HN 0.437 nan 8.370 nan 0.000 0.451 283 E N 0.558 120.727 120.200 -0.052 0.000 2.171 283 E HA -0.108 4.241 4.350 -0.000 0.000 0.197 283 E C 2.198 178.774 176.600 -0.041 0.000 0.997 283 E CA 0.818 57.196 56.400 -0.036 0.000 0.810 283 E CB -0.299 29.387 29.700 -0.024 0.000 0.738 283 E HN 0.061 nan 8.360 nan 0.000 0.467 284 S N -0.199 115.462 115.700 -0.064 0.000 2.357 284 S HA -0.044 4.426 4.470 -0.000 0.000 0.221 284 S C 1.846 176.398 174.600 -0.080 0.000 1.031 284 S CA 0.973 59.134 58.200 -0.064 0.000 0.982 284 S CB -0.132 63.016 63.200 -0.087 0.000 0.853 284 S HN 0.244 nan 8.310 nan 0.000 0.458 285 M N 1.293 120.771 119.600 -0.203 0.000 2.358 285 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 285 M C 1.863 178.157 176.300 -0.011 0.000 1.064 285 M CA 1.143 56.288 55.300 -0.258 0.000 1.093 285 M CB -0.292 32.024 32.600 -0.474 0.000 1.401 285 M HN 0.299 nan 8.290 nan 0.000 0.440 286 K N -0.705 119.685 120.400 -0.017 0.000 2.374 286 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 286 K C 1.160 177.775 176.600 0.025 0.000 1.023 286 K CA 0.162 56.458 56.287 0.014 0.000 1.103 286 K CB 0.207 32.706 32.500 -0.001 0.000 0.848 286 K HN 0.047 nan 8.250 nan 0.000 0.528 287 V N 1.955 121.886 119.914 0.029 0.000 2.446 287 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 287 V C 2.210 178.340 176.094 0.061 0.000 1.039 287 V CA 2.011 64.333 62.300 0.036 0.000 1.045 287 V CB -0.165 31.674 31.823 0.026 0.000 0.681 287 V HN 0.550 nan 8.190 nan 0.000 0.459 288 D N 0.938 121.406 120.400 0.113 0.000 2.075 288 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 288 D C 2.095 178.447 176.300 0.087 0.000 0.985 288 D CA 1.736 55.812 54.000 0.125 0.000 0.834 288 D CB 0.173 41.120 40.800 0.245 0.000 0.987 288 D HN 0.335 nan 8.370 nan 0.000 0.452 289 A N 0.408 123.296 122.820 0.113 0.000 2.070 289 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 289 A C 2.204 179.814 177.584 0.044 0.000 1.159 289 A CA 1.259 53.340 52.037 0.074 0.000 0.656 289 A CB -0.530 18.523 19.000 0.087 0.000 0.800 289 A HN 0.413 nan 8.150 nan 0.000 0.453 290 Q N -1.374 118.451 119.800 0.041 0.000 2.331 290 Q HA 0.117 4.457 4.340 -0.000 0.000 0.203 290 Q C 1.957 177.969 176.000 0.020 0.000 0.944 290 Q CA 0.736 56.555 55.803 0.026 0.000 0.892 290 Q CB -0.093 28.658 28.738 0.022 0.000 0.983 290 Q HN 0.671 nan 8.270 nan 0.000 0.482 291 A N -0.422 122.411 122.820 0.022 0.000 2.251 291 A HA 0.305 4.625 4.320 -0.000 0.000 0.209 291 A C 1.207 178.797 177.584 0.009 0.000 1.187 291 A CA 0.776 52.822 52.037 0.014 0.000 0.823 291 A CB 0.010 19.018 19.000 0.014 0.000 0.846 291 A HN 0.390 nan 8.150 nan 0.000 0.486 292 G N -1.529 107.278 108.800 0.012 0.000 2.141 292 G HA2 0.062 4.022 3.960 -0.000 0.000 0.195 292 G HA3 0.062 4.022 3.960 -0.000 0.000 0.195 292 G C 0.498 175.397 174.900 -0.002 0.000 1.012 292 G CA 0.016 45.119 45.100 0.005 0.000 0.696 292 G HN 1.259 nan 8.290 nan 0.000 0.508 293 G N -0.904 107.897 108.800 0.002 0.000 2.448 293 G HA2 0.713 4.673 3.960 -0.000 0.000 0.285 293 G HA3 0.713 4.673 3.960 -0.000 0.000 0.285 293 G C 0.524 175.408 174.900 -0.027 0.000 1.176 293 G CA 0.154 45.242 45.100 -0.022 0.000 0.852 293 G HN 1.549 nan 8.290 nan 0.000 0.530 294 A N 0.677 123.459 122.820 -0.064 0.000 2.855 294 A HA 0.644 4.964 4.320 -0.000 0.000 0.301 294 A C 1.462 178.961 177.584 -0.142 0.000 1.076 294 A CA 0.677 52.675 52.037 -0.065 0.000 1.004 294 A CB 0.022 18.994 19.000 -0.046 0.000 1.152 294 A HN 1.062 nan 8.150 nan 0.000 0.531 295 A N -0.140 122.511 122.820 -0.282 0.000 1.878 295 A HA 0.359 4.679 4.320 -0.000 0.000 0.213 295 A C 0.551 177.731 177.584 -0.674 0.000 1.192 295 A CA 0.814 52.501 52.037 -0.584 0.000 0.619 295 A CB -0.306 18.127 19.000 -0.946 0.000 0.837 295 A HN 0.590 nan 8.150 nan 0.000 0.446 296 F N 1.175 121.118 119.950 -0.012 0.000 2.550 296 F HA 0.384 4.911 4.527 -0.000 0.000 0.312 296 F C -0.683 175.115 175.800 -0.004 0.000 1.256 296 F CA -1.517 56.477 58.000 -0.009 0.000 1.182 296 F CB -0.213 38.782 39.000 -0.009 0.000 1.383 296 F HN -0.088 nan 8.300 nan 0.000 0.541 297 D N 1.057 121.514 120.400 0.094 0.000 2.308 297 D HA 0.353 4.993 4.640 -0.000 0.000 0.251 297 D C 0.999 177.338 176.300 0.065 0.000 1.127 297 D CA 0.487 54.527 54.000 0.067 0.000 0.876 297 D CB 1.424 42.237 40.800 0.022 0.000 1.176 297 D HN 0.637 nan 8.370 nan 0.000 0.446 298 G N 2.741 111.576 108.800 0.058 0.000 2.412 298 G HA2 0.083 4.043 3.960 -0.000 0.000 0.297 298 G HA3 0.083 4.043 3.960 -0.000 0.000 0.297 298 G C 0.797 175.735 174.900 0.063 0.000 0.965 298 G CA 0.772 45.902 45.100 0.049 0.000 1.134 298 G HN 1.065 nan 8.290 nan 0.000 0.511 299 G N -2.296 106.556 108.800 0.087 0.000 2.894 299 G HA2 0.058 4.018 3.960 -0.000 0.000 0.247 299 G HA3 0.058 4.018 3.960 -0.000 0.000 0.247 299 G C 0.642 175.597 174.900 0.092 0.000 1.442 299 G CA -0.016 45.130 45.100 0.077 0.000 0.897 299 G HN 1.416 nan 8.290 nan 0.000 0.550 300 V N 0.480 120.440 119.914 0.077 0.000 3.477 300 V HA 0.209 4.329 4.120 -0.000 0.000 0.297 300 V C 0.559 176.696 176.094 0.073 0.000 1.433 300 V CA 0.973 63.328 62.300 0.093 0.000 1.052 300 V CB 0.147 32.017 31.823 0.078 0.000 0.895 300 V HN 0.672 nan 8.190 nan 0.000 0.438 301 D N 1.432 121.864 120.400 0.054 0.000 2.317 301 D HA 0.491 5.131 4.640 -0.000 0.000 0.252 301 D C 0.441 176.765 176.300 0.039 0.000 1.174 301 D CA 0.243 54.269 54.000 0.044 0.000 0.866 301 D CB 1.374 42.192 40.800 0.030 0.000 1.127 301 D HN 0.272 nan 8.370 nan 0.000 0.467 302 L N 0.000 121.246 121.223 0.039 0.000 2.949 302 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 302 L CA 0.000 54.862 54.840 0.036 0.000 0.813 302 L CB 0.000 42.081 42.059 0.038 0.000 0.961 302 L HN 0.000 nan 8.230 nan 0.000 0.502