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 2coj_1_A DATA FIRST_RESID 22 DATA SEQUENCE VGTFKAKDLI VTPATILKEK PDPNXLVFGT VFTDHMLTVE WSSEFGWEKP DATA SEQUENCE HIKPLQNLSL HPGSSALHYA VELFEGLKAF RGVDNKIRLF QPNLNMDRMY DATA SEQUENCE RSAVRATLPV FDKEELLECI QQLVKLDQEW VPYSTSASLY IRPTFIGTEP DATA SEQUENCE SLGVKKPTKA LLFVLLSPVG PYFXXXXFNP VSLWANPKYV RAWKGGTGDC DATA SEQUENCE KMGGNYGSSL FAQCEAVDNG CQQVLWLYGE DHQITEVGTM NLFLYWINED DATA SEQUENCE GEEELATPPL DGIILPGVTR RCILDLAHQW GEFKVSERYL TMDDLTTALE DATA SEQUENCE GNRVREMFGS GTACVVCPVS DILYKGETIH IPTMENGPKL ASRILSKLTD DATA SEQUENCE IQYGREERDW TIVL 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.223 176.094 0.215 0.000 1.182 22 V CA 0.000 62.418 62.300 0.197 0.000 1.235 22 V CB 0.000 31.900 31.823 0.128 0.000 1.184 23 G N 2.320 111.310 108.800 0.317 0.000 2.753 23 G HA2 0.789 4.742 3.960 -0.013 0.000 0.303 23 G HA3 0.789 4.742 3.960 -0.013 0.000 0.303 23 G C -0.699 174.445 174.900 0.407 0.000 1.242 23 G CA 0.214 45.498 45.100 0.306 0.000 0.810 23 G HN 1.080 nan 8.290 nan 0.000 0.515 24 T N -1.180 113.539 114.554 0.274 0.000 2.816 24 T HA 0.648 4.991 4.350 -0.013 0.000 0.299 24 T C -1.432 173.216 174.700 -0.087 0.000 1.230 24 T CA -0.593 61.465 62.100 -0.069 0.000 1.007 24 T CB 1.142 69.841 68.868 -0.282 0.000 1.289 24 T HN 0.999 nan 8.240 nan 0.000 0.508 25 F N 0.803 120.600 119.950 -0.254 0.000 2.403 25 F HA 0.869 5.388 4.527 -0.014 0.000 0.326 25 F C -0.121 175.619 175.800 -0.101 0.000 1.081 25 F CA -1.060 56.876 58.000 -0.108 0.000 1.041 25 F CB 0.592 39.474 39.000 -0.197 0.000 1.234 25 F HN 0.389 nan 8.300 nan 0.000 0.503 26 K N 0.794 121.311 120.400 0.195 0.000 2.397 26 K HA 0.606 4.918 4.320 -0.013 0.000 0.253 26 K C 0.339 177.005 176.600 0.110 0.000 0.932 26 K CA -0.682 55.661 56.287 0.093 0.000 0.795 26 K CB 2.088 34.613 32.500 0.043 0.000 1.159 26 K HN 0.786 nan 8.250 nan 0.000 0.424 27 A N 2.630 125.498 122.820 0.080 0.000 2.032 27 A HA -0.230 4.082 4.320 -0.013 0.000 0.221 27 A C 2.125 179.719 177.584 0.016 0.000 1.165 27 A CA 2.293 54.357 52.037 0.046 0.000 0.645 27 A CB -0.663 18.352 19.000 0.025 0.000 0.807 27 A HN 0.757 nan 8.150 nan 0.000 0.453 28 K N -0.310 120.099 120.400 0.016 0.000 2.439 28 K HA -0.060 4.253 4.320 -0.013 0.000 0.197 28 K C 1.052 177.652 176.600 0.000 0.000 1.041 28 K CA 1.456 57.746 56.287 0.005 0.000 0.970 28 K CB -0.476 32.028 32.500 0.007 0.000 0.773 28 K HN 0.608 nan 8.250 nan 0.000 0.479 29 D N -0.188 120.217 120.400 0.008 0.000 2.363 29 D HA 0.146 4.778 4.640 -0.013 0.000 0.214 29 D C -0.073 176.196 176.300 -0.050 0.000 1.093 29 D CA -0.240 53.756 54.000 -0.007 0.000 0.837 29 D CB 0.043 40.858 40.800 0.024 0.000 0.948 29 D HN 0.347 nan 8.370 nan 0.000 0.507 30 L N 1.342 122.534 121.223 -0.052 0.000 2.601 30 L HA -0.042 4.290 4.340 -0.013 0.000 0.277 30 L C 0.109 176.899 176.870 -0.134 0.000 1.219 30 L CA 0.232 55.015 54.840 -0.095 0.000 0.915 30 L CB 0.272 42.292 42.059 -0.065 0.000 1.160 30 L HN -0.211 nan 8.230 nan 0.000 0.494 31 I N 4.646 125.073 120.570 -0.240 0.000 2.307 31 I HA 0.177 4.340 4.170 -0.013 0.000 0.289 31 I C -0.002 176.031 176.117 -0.141 0.000 1.021 31 I CA -0.007 61.149 61.300 -0.239 0.000 1.224 31 I CB 1.387 39.112 38.000 -0.459 0.000 1.376 31 I HN 0.143 nan 8.210 nan 0.000 0.470 32 V N 5.517 125.389 119.914 -0.070 0.000 2.465 32 V HA 0.450 4.562 4.120 -0.013 0.000 0.279 32 V C 0.242 176.341 176.094 0.007 0.000 1.045 32 V CA -0.305 61.975 62.300 -0.033 0.000 0.938 32 V CB 1.348 33.142 31.823 -0.049 0.000 0.986 32 V HN 0.732 nan 8.190 nan 0.000 0.467 33 T N 6.649 121.232 114.554 0.049 0.000 3.077 33 T HA 0.313 4.656 4.350 -0.013 0.000 0.359 33 T C -2.620 172.166 174.700 0.143 0.000 1.108 33 T CA -0.872 61.278 62.100 0.084 0.000 1.170 33 T CB 1.295 70.224 68.868 0.102 0.000 1.045 33 T HN 0.527 nan 8.240 nan 0.000 0.505 34 P HA 0.321 nan 4.420 nan 0.000 0.268 34 P C -0.356 177.096 177.300 0.253 0.000 1.205 34 P CA -0.342 62.911 63.100 0.254 0.000 0.771 34 P CB 0.662 32.441 31.700 0.131 0.000 0.858 35 A N 3.019 126.030 122.820 0.318 0.000 2.440 35 A HA 0.313 4.626 4.320 -0.013 0.000 0.251 35 A C 1.604 179.238 177.584 0.085 0.000 1.089 35 A CA 0.138 52.209 52.037 0.056 0.000 0.779 35 A CB -0.309 18.592 19.000 -0.165 0.000 1.022 35 A HN 0.655 nan 8.150 nan 0.000 0.492 36 T N 0.434 115.017 114.554 0.050 0.000 2.978 36 T HA 0.166 4.508 4.350 -0.013 0.000 0.262 36 T C 0.554 175.280 174.700 0.043 0.000 1.063 36 T CA 0.778 62.907 62.100 0.049 0.000 1.140 36 T CB -0.286 68.603 68.868 0.034 0.000 0.886 36 T HN 0.416 nan 8.240 nan 0.000 0.470 37 I N 3.167 123.756 120.570 0.030 0.000 2.330 37 I HA 0.300 4.462 4.170 -0.013 0.000 0.286 37 I C -0.740 175.402 176.117 0.043 0.000 1.025 37 I CA -0.948 60.371 61.300 0.032 0.000 1.197 37 I CB 1.293 39.306 38.000 0.021 0.000 1.358 37 I HN 0.093 nan 8.210 nan 0.000 0.467 38 L N 6.751 128.016 121.223 0.069 0.000 2.289 38 L HA 0.434 4.766 4.340 -0.013 0.000 0.285 38 L C 0.345 177.293 176.870 0.130 0.000 1.049 38 L CA -0.592 54.318 54.840 0.118 0.000 0.804 38 L CB 1.101 43.245 42.059 0.142 0.000 1.195 38 L HN 0.520 nan 8.230 nan 0.000 0.428 39 K N 1.297 121.832 120.400 0.226 0.000 2.202 39 K HA 0.359 4.672 4.320 -0.013 0.000 0.264 39 K C 0.381 177.049 176.600 0.114 0.000 1.010 39 K CA -0.226 56.197 56.287 0.226 0.000 0.940 39 K CB 0.559 33.279 32.500 0.367 0.000 0.983 39 K HN 0.717 nan 8.250 nan 0.000 0.475 40 E N 2.551 122.769 120.200 0.030 0.000 2.316 40 E HA 0.079 4.421 4.350 -0.013 0.000 0.275 40 E C -0.513 175.966 176.600 -0.201 0.000 1.029 40 E CA -0.585 55.757 56.400 -0.098 0.000 0.871 40 E CB 0.233 29.907 29.700 -0.044 0.000 1.022 40 E HN 0.311 nan 8.360 nan 0.000 0.418 41 K N 2.829 122.967 120.400 -0.437 0.000 2.380 41 K HA 0.247 4.559 4.320 -0.013 0.000 0.267 41 K C -1.604 174.917 176.600 -0.133 0.000 0.990 41 K CA -0.776 55.220 56.287 -0.485 0.000 0.946 41 K CB 0.514 32.711 32.500 -0.506 0.000 0.937 41 K HN 0.640 nan 8.250 nan 0.000 0.491 42 P HA 0.085 nan 4.420 nan 0.000 0.302 42 P C -0.872 176.437 177.300 0.016 0.000 1.307 42 P CA -0.411 62.707 63.100 0.031 0.000 0.754 42 P CB 0.496 32.243 31.700 0.079 0.000 1.298 43 D N -0.180 120.233 120.400 0.023 0.000 2.295 43 D HA 0.130 4.763 4.640 -0.013 0.000 0.248 43 D C -1.647 174.676 176.300 0.038 0.000 1.154 43 D CA -1.880 52.134 54.000 0.023 0.000 0.857 43 D CB 0.800 41.611 40.800 0.018 0.000 1.117 43 D HN 0.012 nan 8.370 nan 0.000 0.468 44 P HA -0.038 nan 4.420 nan 0.000 0.234 44 P C -0.030 177.303 177.300 0.055 0.000 1.162 44 P CA 0.878 64.016 63.100 0.063 0.000 0.759 44 P CB -0.045 31.701 31.700 0.077 0.000 0.813 48 V N 1.961 121.873 119.914 -0.005 0.000 2.384 48 V HA 0.325 4.437 4.120 -0.013 0.000 0.287 48 V C -0.059 176.021 176.094 -0.024 0.000 1.020 48 V CA -0.503 61.796 62.300 -0.001 0.000 0.850 48 V CB 1.503 33.316 31.823 -0.016 0.000 0.987 48 V HN 0.563 nan 8.190 nan 0.000 0.436 49 F N 4.672 124.538 119.950 -0.140 0.000 2.548 49 F HA 0.322 4.841 4.527 -0.013 0.000 0.403 49 F C 1.437 177.105 175.800 -0.219 0.000 1.004 49 F CA 1.712 59.605 58.000 -0.178 0.000 1.177 49 F CB 0.201 39.070 39.000 -0.218 0.000 0.974 49 F HN 0.933 nan 8.300 nan 0.000 0.541 50 G N 3.846 112.171 108.800 -0.791 0.000 2.225 50 G HA2 -0.352 3.600 3.960 -0.013 0.000 0.267 50 G HA3 -0.352 3.600 3.960 -0.013 0.000 0.267 50 G C 0.783 175.395 174.900 -0.480 0.000 1.024 50 G CA 0.678 45.402 45.100 -0.626 0.000 0.784 50 G HN 0.809 nan 8.290 nan 0.000 0.507 51 T N -1.218 113.085 114.554 -0.418 0.000 3.021 51 T HA 0.306 4.649 4.350 -0.013 0.000 0.245 51 T C 1.177 175.661 174.700 -0.359 0.000 1.028 51 T CA 1.094 63.039 62.100 -0.258 0.000 1.139 51 T CB 0.303 69.103 68.868 -0.113 0.000 0.884 51 T HN 0.211 nan 8.240 nan 0.000 0.457 52 V N 2.219 121.865 119.914 -0.447 0.000 2.532 52 V HA 0.541 4.654 4.120 -0.013 0.000 0.295 52 V C -0.936 174.803 176.094 -0.592 0.000 1.041 52 V CA -0.833 61.288 62.300 -0.299 0.000 0.926 52 V CB 1.240 33.029 31.823 -0.057 0.000 0.992 52 V HN 0.237 nan 8.190 nan 0.000 0.457 53 F N 1.236 121.115 119.950 -0.118 0.000 2.579 53 F HA 0.601 5.121 4.527 -0.012 0.000 0.324 53 F C 0.955 176.423 175.800 -0.553 0.000 1.058 53 F CA -0.660 57.192 58.000 -0.247 0.000 0.944 53 F CB 1.860 40.753 39.000 -0.178 0.000 1.245 53 F HN 0.618 nan 8.300 nan 0.000 0.477 54 T N -2.851 111.323 114.554 -0.634 0.000 2.715 54 T HA 0.087 4.430 4.350 -0.013 0.000 0.320 54 T C 0.692 174.901 174.700 -0.817 0.000 1.046 54 T CA -0.291 60.917 62.100 -1.486 0.000 0.983 54 T CB 0.491 68.607 68.868 -1.254 0.000 1.183 54 T HN 0.537 nan 8.240 nan 0.000 0.522 55 D N 0.134 120.153 120.400 -0.635 0.000 2.137 55 D HA 0.036 4.668 4.640 -0.013 0.000 0.202 55 D C 0.389 176.381 176.300 -0.513 0.000 0.970 55 D CA 1.317 55.130 54.000 -0.311 0.000 0.837 55 D CB -0.020 40.732 40.800 -0.080 0.000 0.981 55 D HN 0.621 nan 8.370 nan 0.000 0.475 56 H N -1.189 117.809 119.070 -0.120 0.000 2.737 56 H HA 0.551 5.099 4.556 -0.013 0.000 0.358 56 H C 0.209 175.486 175.328 -0.086 0.000 1.187 56 H CA -0.812 55.193 56.048 -0.072 0.000 1.221 56 H CB 1.738 31.483 29.762 -0.029 0.000 1.799 56 H HN -0.139 nan 8.280 nan 0.000 0.568 57 M N 0.545 120.189 119.600 0.075 0.000 2.664 57 M HA 0.591 5.063 4.480 -0.013 0.000 0.279 57 M C -1.882 174.446 176.300 0.046 0.000 1.275 57 M CA -1.304 54.018 55.300 0.035 0.000 0.829 57 M CB 2.582 35.182 32.600 0.001 0.000 1.727 57 M HN 0.426 nan 8.290 nan 0.000 0.459 58 L N 1.834 123.081 121.223 0.040 0.000 2.341 58 L HA 0.886 5.219 4.340 -0.013 0.000 0.278 58 L C -0.965 175.928 176.870 0.039 0.000 1.005 58 L CA 0.433 55.279 54.840 0.010 0.000 0.818 58 L CB 2.138 44.166 42.059 -0.052 0.000 1.259 58 L HN 0.983 nan 8.230 nan 0.000 0.418 59 T N 1.775 116.341 114.554 0.020 0.000 2.909 59 T HA 0.839 5.182 4.350 -0.013 0.000 0.299 59 T C -1.206 173.490 174.700 -0.006 0.000 1.073 59 T CA -0.715 61.407 62.100 0.037 0.000 0.999 59 T CB 1.638 70.514 68.868 0.014 0.000 1.098 59 T HN 0.456 nan 8.240 nan 0.000 0.477 60 V N 2.043 121.962 119.914 0.009 0.000 2.610 60 V HA 0.448 4.560 4.120 -0.013 0.000 0.298 60 V C -0.620 175.633 176.094 0.266 0.000 1.067 60 V CA -0.896 61.427 62.300 0.038 0.000 0.894 60 V CB 1.714 33.336 31.823 -0.335 0.000 1.015 60 V HN 0.945 nan 8.190 nan 0.000 0.432 61 E N 2.294 122.655 120.200 0.268 0.000 2.343 61 E HA 0.369 4.711 4.350 -0.013 0.000 0.269 61 E C -1.148 175.669 176.600 0.363 0.000 1.047 61 E CA -0.262 56.300 56.400 0.270 0.000 0.874 61 E CB 2.464 32.257 29.700 0.156 0.000 1.033 61 E HN 0.704 nan 8.360 nan 0.000 0.409 62 W N 1.382 122.689 121.300 0.012 0.000 3.129 62 W HA 0.303 4.954 4.660 -0.015 0.000 0.333 62 W C -1.089 175.347 176.519 -0.137 0.000 1.141 62 W CA -0.412 56.803 57.345 -0.217 0.000 1.224 62 W CB 1.228 30.226 29.460 -0.770 0.000 1.393 62 W HN 0.403 nan 8.180 nan 0.000 0.499 63 S N 2.125 117.193 115.700 -1.053 0.000 2.541 63 S HA 0.360 4.822 4.470 -0.013 0.000 0.280 63 S C 0.430 173.966 174.600 -1.772 0.000 1.112 63 S CA -0.106 57.466 58.200 -1.046 0.000 0.925 63 S CB 1.563 64.477 63.200 -0.477 0.000 1.067 63 S HN 0.827 nan 8.310 nan 0.000 0.479 64 S N 0.509 115.317 115.700 -1.487 0.000 2.481 64 S HA -0.094 4.369 4.470 -0.013 0.000 0.231 64 S C 1.269 175.518 174.600 -0.585 0.000 0.996 64 S CA 0.959 58.573 58.200 -0.977 0.000 0.942 64 S CB -0.504 62.473 63.200 -0.371 0.000 0.768 64 S HN 0.846 nan 8.310 nan 0.000 0.520 65 E N 0.336 120.140 120.200 -0.661 0.000 2.122 65 E HA 0.040 4.382 4.350 -0.013 0.000 0.190 65 E C 0.638 176.809 176.600 -0.714 0.000 0.977 65 E CA 0.804 56.763 56.400 -0.735 0.000 0.820 65 E CB 0.020 29.090 29.700 -1.050 0.000 0.770 65 E HN 0.762 nan 8.360 nan 0.000 0.462 66 F N -0.594 119.195 119.950 -0.268 0.000 2.746 66 F HA 0.339 4.861 4.527 -0.009 0.000 0.320 66 F C 1.039 176.735 175.800 -0.173 0.000 1.097 66 F CA -0.217 57.682 58.000 -0.169 0.000 1.195 66 F CB 1.425 40.354 39.000 -0.118 0.000 1.056 66 F HN 0.189 nan 8.300 nan 0.000 0.562 67 G N 0.807 109.448 108.800 -0.265 0.000 2.553 67 G HA2 -0.318 3.635 3.960 -0.013 0.000 0.242 67 G HA3 -0.318 3.635 3.960 -0.013 0.000 0.242 67 G C -0.725 174.104 174.900 -0.117 0.000 1.277 67 G CA -0.735 44.219 45.100 -0.243 0.000 0.910 67 G HN 0.214 nan 8.290 nan 0.000 0.576 68 W N 1.796 123.337 121.300 0.402 0.000 2.216 68 W HA 0.540 5.196 4.660 -0.007 0.000 0.326 68 W C 1.044 177.732 176.519 0.282 0.000 1.319 68 W CA -0.336 57.293 57.345 0.474 0.000 1.213 68 W CB 0.607 30.406 29.460 0.565 0.000 1.171 68 W HN 0.497 nan 8.180 nan 0.000 0.557 69 E N 1.905 122.411 120.200 0.510 0.000 2.849 69 E HA 0.244 4.586 4.350 -0.013 0.000 0.257 69 E C -0.407 176.386 176.600 0.321 0.000 1.306 69 E CA -0.655 55.939 56.400 0.323 0.000 1.058 69 E CB 0.415 30.265 29.700 0.249 0.000 1.249 69 E HN 0.294 nan 8.360 nan 0.000 0.638 70 K N 2.084 122.618 120.400 0.224 0.000 2.249 70 K HA 0.255 4.568 4.320 -0.013 0.000 0.280 70 K C -2.128 174.543 176.600 0.119 0.000 1.033 70 K CA -1.551 54.821 56.287 0.141 0.000 0.946 70 K CB 0.443 32.971 32.500 0.046 0.000 1.005 70 K HN 0.248 nan 8.250 nan 0.000 0.469 71 P HA 0.022 nan 4.420 nan 0.000 0.271 71 P C -0.953 176.299 177.300 -0.081 0.000 1.216 71 P CA 0.258 63.314 63.100 -0.072 0.000 0.776 71 P CB 0.770 32.336 31.700 -0.222 0.000 0.881 72 H N 1.824 120.850 119.070 -0.073 0.000 2.679 72 H HA 0.503 5.052 4.556 -0.012 0.000 0.367 72 H C -0.249 175.055 175.328 -0.040 0.000 1.162 72 H CA -0.829 55.196 56.048 -0.039 0.000 1.181 72 H CB 2.164 31.915 29.762 -0.018 0.000 1.693 72 H HN 0.313 nan 8.280 nan 0.000 0.538 73 I N 3.819 124.441 120.570 0.087 0.000 2.495 73 I HA 0.133 4.295 4.170 -0.013 0.000 0.277 73 I C -0.330 175.852 176.117 0.110 0.000 1.045 73 I CA -0.393 60.941 61.300 0.057 0.000 1.135 73 I CB 0.715 38.708 38.000 -0.012 0.000 1.241 73 I HN 0.439 nan 8.210 nan 0.000 0.469 74 K N 5.549 126.026 120.400 0.129 0.000 2.346 74 K HA 0.779 5.091 4.320 -0.013 0.000 0.238 74 K C -3.027 173.641 176.600 0.113 0.000 1.039 74 K CA -2.175 54.194 56.287 0.135 0.000 0.861 74 K CB 1.112 33.657 32.500 0.074 0.000 1.278 74 K HN -0.063 nan 8.250 nan 0.000 0.460 75 P HA -0.045 nan 4.420 nan 0.000 0.268 75 P C -0.536 176.697 177.300 -0.111 0.000 1.208 75 P CA -0.427 62.598 63.100 -0.124 0.000 0.777 75 P CB 0.302 31.939 31.700 -0.104 0.000 0.875 76 L N 3.243 124.371 121.223 -0.159 0.000 2.514 76 L HA 0.121 4.453 4.340 -0.013 0.000 0.280 76 L C 0.143 176.930 176.870 -0.139 0.000 1.223 76 L CA 1.277 56.028 54.840 -0.148 0.000 0.864 76 L CB -0.470 41.489 42.059 -0.166 0.000 1.118 76 L HN 0.534 nan 8.230 nan 0.000 0.494 77 Q N 1.956 121.661 119.800 -0.158 0.000 2.721 77 Q HA 0.416 4.749 4.340 -0.013 0.000 0.282 77 Q C -1.116 174.774 176.000 -0.183 0.000 0.932 77 Q CA -1.069 54.646 55.803 -0.146 0.000 0.816 77 Q CB 0.383 29.052 28.738 -0.115 0.000 1.506 77 Q HN 0.554 nan 8.270 nan 0.000 0.399 78 N N 0.217 118.821 118.700 -0.160 0.000 2.267 78 N HA 0.254 4.987 4.740 -0.013 0.000 0.226 78 N C -0.774 174.622 175.510 -0.190 0.000 1.314 78 N CA 0.201 53.147 53.050 -0.173 0.000 0.887 78 N CB 0.268 38.679 38.487 -0.127 0.000 1.120 78 N HN 0.487 nan 8.380 nan 0.000 0.440 79 L N -0.063 121.040 121.223 -0.201 0.000 2.322 79 L HA 0.316 4.648 4.340 -0.013 0.000 0.279 79 L C 0.400 177.197 176.870 -0.123 0.000 1.036 79 L CA -0.591 54.130 54.840 -0.198 0.000 0.807 79 L CB 1.641 43.546 42.059 -0.256 0.000 1.226 79 L HN 0.372 nan 8.230 nan 0.000 0.433 80 S N 4.495 120.139 115.700 -0.094 0.000 2.543 80 S HA 0.566 5.028 4.470 -0.013 0.000 0.299 80 S C -0.587 173.995 174.600 -0.031 0.000 1.125 80 S CA -0.603 57.560 58.200 -0.061 0.000 1.098 80 S CB -0.345 62.823 63.200 -0.054 0.000 1.063 80 S HN 0.387 nan 8.310 nan 0.000 0.493 81 L N 4.470 125.682 121.223 -0.019 0.000 2.334 81 L HA 0.501 4.833 4.340 -0.013 0.000 0.276 81 L C 0.585 177.488 176.870 0.056 0.000 1.014 81 L CA -1.196 53.661 54.840 0.029 0.000 0.815 81 L CB 1.199 43.275 42.059 0.029 0.000 1.268 81 L HN 0.577 nan 8.230 nan 0.000 0.428 82 H N 3.838 122.914 119.070 0.011 0.000 2.897 82 H HA 0.065 4.615 4.556 -0.011 0.000 0.347 82 H C -1.944 173.404 175.328 0.033 0.000 1.068 82 H CA -1.237 54.821 56.048 0.015 0.000 1.426 82 H CB 1.742 31.514 29.762 0.016 0.000 1.410 82 H HN 0.342 nan 8.280 nan 0.000 0.597 83 P HA -0.077 nan 4.420 nan 0.000 0.219 83 P C 1.151 178.673 177.300 0.369 0.000 1.146 83 P CA 1.656 64.845 63.100 0.148 0.000 0.808 83 P CB 0.062 31.776 31.700 0.022 0.000 0.779 84 G N -1.236 107.871 108.800 0.511 0.000 2.813 84 G HA2 -0.049 3.903 3.960 -0.013 0.000 0.209 84 G HA3 -0.049 3.903 3.960 -0.013 0.000 0.209 84 G C 0.338 175.287 174.900 0.082 0.000 1.150 84 G CA -0.084 45.103 45.100 0.145 0.000 0.785 84 G HN 0.163 nan 8.290 nan 0.000 0.535 85 S N 0.971 116.786 115.700 0.191 0.000 2.810 85 S HA 0.005 4.467 4.470 -0.013 0.000 0.329 85 S C 1.852 176.550 174.600 0.164 0.000 1.231 85 S CA 0.520 58.801 58.200 0.136 0.000 1.042 85 S CB 0.902 64.183 63.200 0.134 0.000 0.756 85 S HN 0.591 nan 8.310 nan 0.000 0.504 86 S N 2.656 118.416 115.700 0.100 0.000 2.507 86 S HA -0.072 4.390 4.470 -0.013 0.000 0.235 86 S C 1.706 176.357 174.600 0.086 0.000 0.988 86 S CA 0.437 58.698 58.200 0.102 0.000 0.944 86 S CB -0.271 63.025 63.200 0.159 0.000 0.762 86 S HN 0.826 nan 8.310 nan 0.000 0.526 87 A N 1.331 124.202 122.820 0.084 0.000 2.067 87 A HA 0.362 4.674 4.320 -0.013 0.000 0.217 87 A C 2.045 179.642 177.584 0.022 0.000 1.156 87 A CA 0.634 52.714 52.037 0.071 0.000 0.683 87 A CB -0.479 18.578 19.000 0.096 0.000 0.808 87 A HN 0.566 nan 8.150 nan 0.000 0.455 88 L N -1.999 119.211 121.223 -0.022 0.000 2.477 88 L HA 0.110 4.442 4.340 -0.013 0.000 0.220 88 L C 2.152 178.791 176.870 -0.385 0.000 1.106 88 L CA 0.396 55.134 54.840 -0.169 0.000 0.851 88 L CB -0.245 41.692 42.059 -0.204 0.000 0.994 88 L HN 0.429 nan 8.230 nan 0.000 0.462 89 H N -1.682 117.214 119.070 -0.290 0.000 2.481 89 H HA 0.141 4.695 4.556 -0.003 0.000 0.291 89 H C 0.563 175.519 175.328 -0.621 0.000 1.009 89 H CA 0.776 56.474 56.048 -0.583 0.000 1.282 89 H CB 0.595 29.747 29.762 -1.018 0.000 1.457 89 H HN 0.270 nan 8.280 nan 0.000 0.525 90 Y N 0.087 120.474 120.300 0.145 0.000 2.716 90 Y HA 0.473 5.011 4.550 -0.020 0.000 0.260 90 Y C 0.999 176.934 175.900 0.059 0.000 1.141 90 Y CA 0.003 58.152 58.100 0.081 0.000 1.168 90 Y CB 0.777 39.275 38.460 0.062 0.000 1.189 90 Y HN 0.130 nan 8.280 nan 0.000 0.549 91 A N 0.006 122.896 122.820 0.118 0.000 2.748 91 A HA -0.221 4.092 4.320 -0.013 0.000 0.297 91 A C 0.181 177.828 177.584 0.105 0.000 1.508 91 A CA 0.762 52.862 52.037 0.105 0.000 0.799 91 A CB -2.273 16.794 19.000 0.111 0.000 1.011 91 A HN 0.249 nan 8.150 nan 0.000 0.500 92 V N 1.247 121.222 119.914 0.102 0.000 2.266 92 V HA 0.370 4.482 4.120 -0.013 0.000 0.240 92 V C 0.603 176.718 176.094 0.035 0.000 1.225 92 V CA 1.199 63.534 62.300 0.057 0.000 1.237 92 V CB -0.896 30.961 31.823 0.056 0.000 1.343 92 V HN 0.832 nan 8.190 nan 0.000 0.496 93 E N 4.708 124.938 120.200 0.049 0.000 2.423 93 E HA 0.818 5.160 4.350 -0.013 0.000 0.280 93 E C -1.462 175.197 176.600 0.098 0.000 1.030 93 E CA -1.238 55.211 56.400 0.081 0.000 0.812 93 E CB 2.600 32.384 29.700 0.140 0.000 1.313 93 E HN 0.249 nan 8.360 nan 0.000 0.456 94 L N -1.455 119.854 121.223 0.143 0.000 2.710 94 L HA 0.843 5.176 4.340 -0.013 0.000 0.260 94 L C -1.357 175.636 176.870 0.204 0.000 0.993 94 L CA -0.816 54.099 54.840 0.125 0.000 0.877 94 L CB 1.372 43.460 42.059 0.048 0.000 1.461 94 L HN 0.766 nan 8.230 nan 0.000 0.413 95 F N -1.742 118.226 119.950 0.031 0.000 2.754 95 F HA 0.999 5.518 4.527 -0.014 0.000 0.320 95 F C -0.885 174.913 175.800 -0.005 0.000 1.156 95 F CA -0.500 57.492 58.000 -0.013 0.000 0.950 95 F CB 1.483 40.454 39.000 -0.048 0.000 1.388 95 F HN 0.631 nan 8.300 nan 0.000 0.485 96 E N -0.449 119.875 120.200 0.206 0.000 2.446 96 E HA 0.658 5.000 4.350 -0.013 0.000 0.276 96 E C -1.440 175.272 176.600 0.186 0.000 0.969 96 E CA -0.946 55.503 56.400 0.081 0.000 0.800 96 E CB 2.114 31.814 29.700 -0.000 0.000 1.341 96 E HN 1.076 nan 8.360 nan 0.000 0.460 97 G N 1.291 110.144 108.800 0.089 0.000 2.618 97 G HA2 0.568 4.520 3.960 -0.013 0.000 0.280 97 G HA3 0.568 4.520 3.960 -0.013 0.000 0.280 97 G C -0.884 173.986 174.900 -0.050 0.000 1.458 97 G CA -0.465 44.609 45.100 -0.043 0.000 1.224 97 G HN 0.301 nan 8.290 nan 0.000 0.576 98 L N -1.188 119.884 121.223 -0.253 0.000 2.301 98 L HA 0.949 5.282 4.340 -0.013 0.000 0.249 98 L C -0.746 176.039 176.870 -0.142 0.000 1.069 98 L CA -1.420 53.379 54.840 -0.069 0.000 0.865 98 L CB 2.145 44.184 42.059 -0.034 0.000 1.467 98 L HN 0.279 nan 8.230 nan 0.000 0.419 99 K N -0.110 120.241 120.400 -0.081 0.000 2.480 99 K HA 0.851 5.163 4.320 -0.013 0.000 0.258 99 K C -1.459 174.869 176.600 -0.453 0.000 0.990 99 K CA -0.748 55.343 56.287 -0.327 0.000 0.857 99 K CB 2.449 34.618 32.500 -0.552 0.000 1.384 99 K HN 0.828 nan 8.250 nan 0.000 0.446 100 A N 1.668 124.140 122.820 -0.581 0.000 2.355 100 A HA 0.802 5.115 4.320 -0.013 0.000 0.317 100 A C -1.408 175.818 177.584 -0.597 0.000 1.094 100 A CA -0.566 51.248 52.037 -0.373 0.000 0.764 100 A CB 0.254 19.155 19.000 -0.165 0.000 1.230 100 A HN 0.511 nan 8.150 nan 0.000 0.448 101 F N 0.468 120.361 119.950 -0.096 0.000 2.546 101 F HA 0.603 5.122 4.527 -0.012 0.000 0.320 101 F C 0.597 176.365 175.800 -0.053 0.000 1.076 101 F CA -0.638 57.258 58.000 -0.173 0.000 0.928 101 F CB 1.970 40.630 39.000 -0.567 0.000 1.189 101 F HN 0.609 nan 8.300 nan 0.000 0.465 102 R N 1.493 122.129 120.500 0.227 0.000 2.196 102 R HA 0.499 4.831 4.340 -0.013 0.000 0.340 102 R C 0.297 176.770 176.300 0.288 0.000 1.043 102 R CA -0.306 55.889 56.100 0.158 0.000 0.883 102 R CB 0.361 30.673 30.300 0.020 0.000 1.078 102 R HN 0.931 nan 8.270 nan 0.000 0.462 103 G N 1.230 110.157 108.800 0.211 0.000 2.684 103 G HA2 0.048 4.001 3.960 -0.013 0.000 0.255 103 G HA3 0.048 4.001 3.960 -0.013 0.000 0.255 103 G C 0.965 175.969 174.900 0.173 0.000 1.219 103 G CA -0.252 44.981 45.100 0.222 0.000 0.901 103 G HN 0.570 nan 8.290 nan 0.000 0.548 104 V N -1.779 118.218 119.914 0.139 0.000 3.541 104 V HA 0.073 4.186 4.120 -0.013 0.000 0.272 104 V C 0.987 177.126 176.094 0.074 0.000 1.215 104 V CA 1.602 63.952 62.300 0.084 0.000 1.176 104 V CB -0.906 30.948 31.823 0.052 0.000 0.854 104 V HN 0.647 nan 8.190 nan 0.000 0.496 105 D N -1.204 119.246 120.400 0.083 0.000 2.469 105 D HA 0.101 4.733 4.640 -0.013 0.000 0.215 105 D C 1.061 177.407 176.300 0.076 0.000 1.154 105 D CA 0.209 54.251 54.000 0.069 0.000 0.832 105 D CB -0.587 40.249 40.800 0.061 0.000 1.008 105 D HN 0.440 nan 8.370 nan 0.000 0.506 106 N N -0.151 118.603 118.700 0.090 0.000 2.909 106 N HA -0.170 4.563 4.740 -0.013 0.000 0.242 106 N C -0.835 174.716 175.510 0.068 0.000 0.975 106 N CA 0.442 53.545 53.050 0.089 0.000 0.921 106 N CB -0.335 38.216 38.487 0.107 0.000 1.112 106 N HN 0.031 nan 8.380 nan 0.000 0.581 107 K N 1.614 122.057 120.400 0.072 0.000 2.234 107 K HA 0.341 4.653 4.320 -0.013 0.000 0.282 107 K C 0.328 176.970 176.600 0.070 0.000 1.039 107 K CA -0.246 56.079 56.287 0.063 0.000 0.928 107 K CB 0.803 33.340 32.500 0.062 0.000 1.039 107 K HN 0.232 nan 8.250 nan 0.000 0.470 108 I N 3.785 124.388 120.570 0.054 0.000 2.496 108 I HA 0.131 4.294 4.170 -0.013 0.000 0.285 108 I C 0.678 176.842 176.117 0.079 0.000 1.080 108 I CA -0.010 61.324 61.300 0.056 0.000 1.404 108 I CB 0.481 38.496 38.000 0.026 0.000 1.403 108 I HN 0.227 nan 8.210 nan 0.000 0.539 109 R N 6.194 126.766 120.500 0.120 0.000 2.750 109 R HA 0.696 5.028 4.340 -0.013 0.000 0.281 109 R C -1.227 175.203 176.300 0.216 0.000 0.972 109 R CA -0.974 55.220 56.100 0.157 0.000 0.912 109 R CB 2.335 32.736 30.300 0.168 0.000 1.187 109 R HN 0.490 nan 8.270 nan 0.000 0.464 110 L N 1.856 123.191 121.223 0.187 0.000 2.334 110 L HA 0.547 4.880 4.340 -0.013 0.000 0.272 110 L C -0.884 176.171 176.870 0.308 0.000 1.020 110 L CA -0.838 54.122 54.840 0.200 0.000 0.812 110 L CB 1.230 43.345 42.059 0.093 0.000 1.264 110 L HN 0.480 nan 8.230 nan 0.000 0.439 111 F N 2.326 122.375 119.950 0.166 0.000 2.460 111 F HA 0.293 4.813 4.527 -0.013 0.000 0.341 111 F C 0.255 176.076 175.800 0.034 0.000 1.130 111 F CA -0.512 57.564 58.000 0.127 0.000 0.962 111 F CB 0.846 39.960 39.000 0.190 0.000 1.171 111 F HN 0.520 nan 8.300 nan 0.000 0.436 112 Q N 4.024 123.492 119.800 -0.554 0.000 2.437 112 Q HA -0.214 4.118 4.340 -0.013 0.000 0.274 112 Q C -1.826 174.031 176.000 -0.238 0.000 1.165 112 Q CA 0.865 56.341 55.803 -0.545 0.000 0.925 112 Q CB -1.420 26.764 28.738 -0.923 0.000 1.327 112 Q HN 0.567 nan 8.270 nan 0.000 0.505 113 P HA -0.195 nan 4.420 nan 0.000 0.216 113 P C 1.176 178.442 177.300 -0.058 0.000 1.157 113 P CA 1.309 64.378 63.100 -0.052 0.000 0.880 113 P CB -0.036 31.652 31.700 -0.021 0.000 0.791 114 N N -0.634 118.026 118.700 -0.067 0.000 2.184 114 N HA -0.156 4.576 4.740 -0.013 0.000 0.190 114 N C 1.699 177.170 175.510 -0.064 0.000 1.011 114 N CA 1.135 54.151 53.050 -0.057 0.000 0.867 114 N CB -0.735 37.715 38.487 -0.061 0.000 0.993 114 N HN 0.258 nan 8.380 nan 0.000 0.433 115 L N 0.862 122.026 121.223 -0.098 0.000 2.072 115 L HA -0.060 4.273 4.340 -0.013 0.000 0.205 115 L C 1.985 178.825 176.870 -0.049 0.000 1.079 115 L CA 0.724 55.509 54.840 -0.092 0.000 0.752 115 L CB -0.422 41.551 42.059 -0.145 0.000 0.906 115 L HN 0.131 nan 8.230 nan 0.000 0.436 116 N N 0.027 118.702 118.700 -0.041 0.000 2.104 116 N HA -0.175 4.557 4.740 -0.013 0.000 0.190 116 N C 1.850 177.379 175.510 0.032 0.000 1.024 116 N CA 1.382 54.427 53.050 -0.008 0.000 0.853 116 N CB -0.120 38.360 38.487 -0.012 0.000 1.008 116 N HN 0.277 nan 8.380 nan 0.000 0.424 117 M N 1.120 120.746 119.600 0.043 0.000 2.159 117 M HA -0.096 4.376 4.480 -0.013 0.000 0.263 117 M C 1.212 177.594 176.300 0.136 0.000 1.063 117 M CA 1.205 56.580 55.300 0.124 0.000 1.110 117 M CB -0.969 31.693 32.600 0.103 0.000 1.374 117 M HN 0.034 nan 8.290 nan 0.000 0.411 118 D N -0.324 120.100 120.400 0.040 0.000 2.144 118 D HA -0.138 4.495 4.640 -0.013 0.000 0.200 118 D C 2.124 178.458 176.300 0.055 0.000 0.978 118 D CA 1.020 55.022 54.000 0.003 0.000 0.833 118 D CB -0.286 40.481 40.800 -0.055 0.000 0.961 118 D HN 0.361 nan 8.370 nan 0.000 0.470 119 R N 0.083 120.608 120.500 0.041 0.000 2.073 119 R HA 0.014 4.346 4.340 -0.013 0.000 0.229 119 R C 2.331 178.672 176.300 0.068 0.000 1.120 119 R CA 0.677 56.796 56.100 0.033 0.000 0.967 119 R CB -0.169 30.130 30.300 -0.002 0.000 0.862 119 R HN 0.077 nan 8.270 nan 0.000 0.436 120 M N -0.417 119.252 119.600 0.115 0.000 2.117 120 M HA -0.225 4.247 4.480 -0.013 0.000 0.262 120 M C 1.798 178.230 176.300 0.221 0.000 1.065 120 M CA 1.696 57.105 55.300 0.182 0.000 1.114 120 M CB -0.231 32.527 32.600 0.264 0.000 1.361 120 M HN 0.265 nan 8.290 nan 0.000 0.408 121 Y N 0.660 120.985 120.300 0.041 0.000 2.049 121 Y HA -0.367 4.176 4.550 -0.011 0.000 0.277 121 Y C 2.654 178.492 175.900 -0.103 0.000 1.143 121 Y CA 3.409 61.398 58.100 -0.184 0.000 1.115 121 Y CB -0.751 37.540 38.460 -0.281 0.000 0.975 121 Y HN 0.259 nan 8.280 nan 0.000 0.487 122 R N 0.074 120.713 120.500 0.232 0.000 2.117 122 R HA -0.168 4.165 4.340 -0.013 0.000 0.243 122 R C 2.300 178.609 176.300 0.015 0.000 1.143 122 R CA 2.056 58.230 56.100 0.124 0.000 0.968 122 R CB -1.827 28.519 30.300 0.077 0.000 0.863 122 R HN 0.525 nan 8.270 nan 0.000 0.444 123 S N 0.037 115.746 115.700 0.015 0.000 2.355 123 S HA 0.024 4.486 4.470 -0.013 0.000 0.222 123 S C 2.604 177.178 174.600 -0.043 0.000 1.031 123 S CA 1.070 59.264 58.200 -0.009 0.000 0.993 123 S CB -0.471 62.732 63.200 0.005 0.000 0.859 123 S HN 0.868 nan 8.310 nan 0.000 0.453 124 A N 1.215 124.014 122.820 -0.035 0.000 1.892 124 A HA -0.115 4.198 4.320 -0.013 0.000 0.218 124 A C 2.332 179.801 177.584 -0.191 0.000 1.188 124 A CA 1.856 53.829 52.037 -0.107 0.000 0.631 124 A CB -1.084 17.940 19.000 0.040 0.000 0.822 124 A HN 0.351 nan 8.150 nan 0.000 0.447 125 V N -0.155 119.635 119.914 -0.208 0.000 2.343 125 V HA -0.217 3.896 4.120 -0.013 0.000 0.247 125 V C 2.635 178.665 176.094 -0.106 0.000 1.051 125 V CA 2.316 64.514 62.300 -0.169 0.000 1.036 125 V CB -0.777 30.967 31.823 -0.131 0.000 0.654 125 V HN 0.604 nan 8.190 nan 0.000 0.451 126 R N 0.669 121.121 120.500 -0.080 0.000 2.280 126 R HA 0.084 4.417 4.340 -0.013 0.000 0.207 126 R C 1.752 178.013 176.300 -0.065 0.000 1.043 126 R CA 1.237 57.303 56.100 -0.056 0.000 1.006 126 R CB -0.526 29.752 30.300 -0.036 0.000 0.885 126 R HN 0.471 nan 8.270 nan 0.000 0.467 127 A N -0.927 121.835 122.820 -0.096 0.000 2.220 127 A HA 0.143 4.456 4.320 -0.013 0.000 0.211 127 A C 0.739 178.244 177.584 -0.131 0.000 1.176 127 A CA 0.873 52.846 52.037 -0.106 0.000 0.834 127 A CB -0.206 18.712 19.000 -0.136 0.000 0.868 127 A HN 0.522 nan 8.150 nan 0.000 0.488 128 T N -3.235 111.232 114.554 -0.145 0.000 5.377 128 T HA -0.166 4.176 4.350 -0.013 0.000 0.273 128 T C -0.054 174.511 174.700 -0.226 0.000 2.061 128 T CA 1.026 63.039 62.100 -0.146 0.000 3.492 128 T CB -2.834 65.977 68.868 -0.097 0.000 1.062 128 T HN 0.362 nan 8.240 nan 0.000 1.051 129 L N 1.831 122.857 121.223 -0.329 0.000 2.399 129 L HA 0.563 4.895 4.340 -0.013 0.000 0.266 129 L C -1.478 175.121 176.870 -0.452 0.000 1.114 129 L CA -2.670 51.845 54.840 -0.542 0.000 0.804 129 L CB 0.728 42.221 42.059 -0.943 0.000 1.146 129 L HN 0.073 nan 8.230 nan 0.000 0.451 130 P HA 0.015 nan 4.420 nan 0.000 0.268 130 P C -0.410 176.934 177.300 0.073 0.000 1.204 130 P CA -0.137 62.695 63.100 -0.447 0.000 0.768 130 P CB 0.792 31.627 31.700 -1.441 0.000 0.842 131 V N 2.185 122.075 119.914 -0.041 0.000 3.185 131 V HA 0.580 4.692 4.120 -0.013 0.000 0.305 131 V C -0.021 176.165 176.094 0.154 0.000 1.090 131 V CA -0.017 62.149 62.300 -0.222 0.000 1.107 131 V CB -0.348 31.274 31.823 -0.335 0.000 1.061 131 V HN 0.573 nan 8.190 nan 0.000 0.480 132 F N -0.976 118.993 119.950 0.032 0.000 2.685 132 F HA 0.607 5.126 4.527 -0.014 0.000 0.315 132 F C -0.729 174.988 175.800 -0.137 0.000 1.126 132 F CA -1.454 56.431 58.000 -0.193 0.000 0.950 132 F CB 1.154 39.825 39.000 -0.548 0.000 1.360 132 F HN 0.606 nan 8.300 nan 0.000 0.469 133 D N 1.626 121.984 120.400 -0.071 0.000 2.325 133 D HA 0.162 4.795 4.640 -0.013 0.000 0.251 133 D C 0.488 176.855 176.300 0.111 0.000 1.196 133 D CA 0.036 54.008 54.000 -0.046 0.000 0.866 133 D CB 1.380 42.081 40.800 -0.165 0.000 1.101 133 D HN 0.696 nan 8.370 nan 0.000 0.476 134 K N 2.510 123.004 120.400 0.157 0.000 2.152 134 K HA -0.139 4.173 4.320 -0.013 0.000 0.206 134 K C 1.512 178.160 176.600 0.080 0.000 1.048 134 K CA 0.843 57.268 56.287 0.230 0.000 0.933 134 K CB 0.377 32.935 32.500 0.098 0.000 0.721 134 K HN 0.429 nan 8.250 nan 0.000 0.447 135 E N 0.912 121.115 120.200 0.004 0.000 2.072 135 E HA -0.147 4.196 4.350 -0.013 0.000 0.191 135 E C 1.931 178.515 176.600 -0.027 0.000 0.985 135 E CA 0.964 57.353 56.400 -0.018 0.000 0.801 135 E CB 0.042 29.722 29.700 -0.033 0.000 0.750 135 E HN 0.288 nan 8.360 nan 0.000 0.452 136 E N 1.006 121.166 120.200 -0.067 0.000 2.077 136 E HA -0.128 4.214 4.350 -0.013 0.000 0.193 136 E C 2.326 178.936 176.600 0.016 0.000 0.989 136 E CA 0.317 56.674 56.400 -0.071 0.000 0.800 136 E CB -0.377 29.188 29.700 -0.226 0.000 0.746 136 E HN 0.243 nan 8.360 nan 0.000 0.452 137 L N 0.637 121.852 121.223 -0.013 0.000 2.046 137 L HA -0.177 4.155 4.340 -0.013 0.000 0.208 137 L C 2.502 179.359 176.870 -0.022 0.000 1.077 137 L CA 0.806 55.660 54.840 0.022 0.000 0.747 137 L CB -0.170 41.779 42.059 -0.184 0.000 0.896 137 L HN 0.149 nan 8.230 nan 0.000 0.432 138 L N 0.274 121.489 121.223 -0.014 0.000 2.046 138 L HA -0.241 4.092 4.340 -0.013 0.000 0.208 138 L C 2.379 179.238 176.870 -0.018 0.000 1.077 138 L CA 2.036 56.865 54.840 -0.019 0.000 0.747 138 L CB -0.622 41.432 42.059 -0.008 0.000 0.896 138 L HN 0.277 nan 8.230 nan 0.000 0.432 139 E N -0.850 119.345 120.200 -0.010 0.000 2.072 139 E HA -0.196 4.147 4.350 -0.013 0.000 0.191 139 E C 2.228 178.820 176.600 -0.013 0.000 0.985 139 E CA 1.815 58.210 56.400 -0.009 0.000 0.801 139 E CB -0.768 28.929 29.700 -0.004 0.000 0.750 139 E HN 0.585 nan 8.360 nan 0.000 0.452 140 C N 0.166 119.462 119.300 -0.007 0.000 2.411 140 C HA -0.037 4.415 4.460 -0.013 0.000 0.279 140 C C 2.567 177.525 174.990 -0.053 0.000 1.288 140 C CA 0.596 59.597 59.018 -0.029 0.000 1.764 140 C CB -1.003 26.716 27.740 -0.035 0.000 1.974 140 C HN 0.474 nan 8.230 nan 0.000 0.498 141 I N 0.186 120.723 120.570 -0.055 0.000 2.406 141 I HA -0.170 3.992 4.170 -0.013 0.000 0.249 141 I C 2.592 178.681 176.117 -0.045 0.000 1.122 141 I CA 1.087 62.349 61.300 -0.063 0.000 1.431 141 I CB -0.598 37.358 38.000 -0.073 0.000 1.087 141 I HN 0.420 nan 8.210 nan 0.000 0.424 142 Q N 0.680 120.461 119.800 -0.032 0.000 2.084 142 Q HA -0.224 4.108 4.340 -0.013 0.000 0.202 142 Q C 2.117 178.105 176.000 -0.022 0.000 0.978 142 Q CA 1.190 56.981 55.803 -0.020 0.000 0.844 142 Q CB -0.347 28.384 28.738 -0.011 0.000 0.898 142 Q HN 0.591 nan 8.270 nan 0.000 0.426 143 Q N 0.547 120.331 119.800 -0.027 0.000 2.124 143 Q HA -0.057 4.276 4.340 -0.013 0.000 0.202 143 Q C 2.216 178.191 176.000 -0.041 0.000 0.977 143 Q CA 0.679 56.463 55.803 -0.033 0.000 0.850 143 Q CB -0.248 28.468 28.738 -0.037 0.000 0.901 143 Q HN 0.391 nan 8.270 nan 0.000 0.429 144 L N 0.346 121.543 121.223 -0.043 0.000 2.027 144 L HA -0.143 4.190 4.340 -0.013 0.000 0.206 144 L C 2.262 179.116 176.870 -0.027 0.000 1.074 144 L CA 1.012 55.827 54.840 -0.042 0.000 0.745 144 L CB -0.203 41.831 42.059 -0.042 0.000 0.898 144 L HN 0.041 nan 8.230 nan 0.000 0.433 145 V N 0.085 119.985 119.914 -0.024 0.000 2.295 145 V HA -0.313 3.799 4.120 -0.013 0.000 0.246 145 V C 2.532 178.634 176.094 0.014 0.000 1.049 145 V CA 1.911 64.206 62.300 -0.007 0.000 1.024 145 V CB -0.646 31.166 31.823 -0.019 0.000 0.648 145 V HN 0.451 nan 8.190 nan 0.000 0.447 146 K N -0.270 120.130 120.400 0.001 0.000 2.059 146 K HA -0.235 4.077 4.320 -0.013 0.000 0.212 146 K C 2.232 178.840 176.600 0.014 0.000 1.050 146 K CA 1.835 58.127 56.287 0.008 0.000 0.927 146 K CB -0.288 32.210 32.500 -0.004 0.000 0.714 146 K HN 0.350 nan 8.250 nan 0.000 0.447 147 L N 0.758 121.972 121.223 -0.014 0.000 2.017 147 L HA -0.194 4.139 4.340 -0.013 0.000 0.208 147 L C 0.711 177.614 176.870 0.055 0.000 1.073 147 L CA 1.695 56.510 54.840 -0.041 0.000 0.745 147 L CB -0.209 41.749 42.059 -0.169 0.000 0.894 147 L HN 0.237 nan 8.230 nan 0.000 0.432 148 D N -0.898 119.568 120.400 0.109 0.000 2.561 148 D HA -0.009 4.623 4.640 -0.013 0.000 0.232 148 D C 1.690 178.174 176.300 0.306 0.000 1.198 148 D CA 0.001 54.175 54.000 0.290 0.000 0.826 148 D CB 0.360 41.265 40.800 0.176 0.000 0.992 148 D HN 0.511 nan 8.370 nan 0.000 0.490 149 Q N 0.040 119.944 119.800 0.173 0.000 2.226 149 Q HA -0.134 4.198 4.340 -0.013 0.000 0.204 149 Q C 1.008 177.070 176.000 0.103 0.000 0.975 149 Q CA 0.940 56.810 55.803 0.111 0.000 0.866 149 Q CB 0.004 28.777 28.738 0.058 0.000 0.915 149 Q HN -0.017 nan 8.270 nan 0.000 0.440 150 E N 0.256 120.538 120.200 0.136 0.000 2.409 150 E HA -0.138 4.205 4.350 -0.013 0.000 0.198 150 E C 0.985 177.588 176.600 0.005 0.000 1.024 150 E CA 0.681 57.125 56.400 0.074 0.000 0.861 150 E CB -0.147 29.577 29.700 0.041 0.000 0.788 150 E HN 0.600 nan 8.360 nan 0.000 0.521 151 W N 0.479 121.798 121.300 0.033 0.000 2.576 151 W HA -0.001 4.652 4.660 -0.012 0.000 0.270 151 W C 0.703 177.207 176.519 -0.026 0.000 1.255 151 W CA 0.034 57.393 57.345 0.022 0.000 1.314 151 W CB -0.050 29.423 29.460 0.022 0.000 1.101 151 W HN -0.298 nan 8.180 nan 0.000 0.595 152 V N 3.963 123.954 119.914 0.128 0.000 2.442 152 V HA -0.037 4.076 4.120 -0.013 0.000 0.272 152 V C -1.767 174.274 176.094 -0.089 0.000 0.989 152 V CA -1.216 61.085 62.300 0.002 0.000 1.123 152 V CB -0.944 30.847 31.823 -0.053 0.000 1.008 152 V HN -0.254 nan 8.190 nan 0.000 0.469 153 P HA -0.138 nan 4.420 nan 0.000 0.264 153 P C -0.499 176.779 177.300 -0.036 0.000 1.156 153 P CA 0.642 63.761 63.100 0.031 0.000 0.756 153 P CB 0.077 31.829 31.700 0.087 0.000 0.764 154 Y N 1.973 122.306 120.300 0.055 0.000 2.826 154 Y HA 0.339 4.882 4.550 -0.013 0.000 0.371 154 Y C 1.162 177.086 175.900 0.040 0.000 1.252 154 Y CA 0.521 58.649 58.100 0.047 0.000 1.813 154 Y CB 0.042 38.512 38.460 0.017 0.000 1.913 154 Y HN 0.227 nan 8.280 nan 0.000 0.447 155 S N -0.842 114.937 115.700 0.132 0.000 2.618 155 S HA 0.311 4.773 4.470 -0.013 0.000 0.277 155 S C 0.508 175.114 174.600 0.011 0.000 1.138 155 S CA -0.413 57.832 58.200 0.075 0.000 0.844 155 S CB 1.871 65.119 63.200 0.079 0.000 1.127 155 S HN 0.233 nan 8.310 nan 0.000 0.474 156 T N 0.634 115.109 114.554 -0.132 0.000 3.054 156 T HA 0.238 4.580 4.350 -0.013 0.000 0.255 156 T C 0.733 175.134 174.700 -0.498 0.000 1.035 156 T CA 0.789 62.588 62.100 -0.501 0.000 0.941 156 T CB -0.367 68.237 68.868 -0.439 0.000 1.026 156 T HN 0.671 nan 8.240 nan 0.000 0.533 157 S N 0.078 115.713 115.700 -0.109 0.000 2.754 157 S HA 0.775 5.237 4.470 -0.013 0.000 0.247 157 S C 0.130 174.825 174.600 0.159 0.000 1.031 157 S CA -0.406 57.812 58.200 0.031 0.000 1.014 157 S CB 0.607 63.810 63.200 0.004 0.000 0.918 157 S HN 0.470 nan 8.310 nan 0.000 0.519 158 A N 1.181 124.138 122.820 0.229 0.000 2.572 158 A HA 0.925 5.238 4.320 -0.013 0.000 0.295 158 A C -0.252 177.496 177.584 0.273 0.000 1.072 158 A CA -0.415 51.753 52.037 0.218 0.000 0.691 158 A CB 1.507 20.589 19.000 0.137 0.000 1.291 158 A HN 0.871 nan 8.150 nan 0.000 0.404 159 S N -0.264 115.526 115.700 0.149 0.000 2.819 159 S HA 0.796 5.258 4.470 -0.013 0.000 0.299 159 S C -1.571 172.996 174.600 -0.055 0.000 1.192 159 S CA -0.605 57.592 58.200 -0.005 0.000 0.847 159 S CB 0.961 64.013 63.200 -0.247 0.000 1.224 159 S HN 1.704 nan 8.310 nan 0.000 0.537 160 L N 1.672 122.803 121.223 -0.153 0.000 2.319 160 L HA 0.582 4.914 4.340 -0.013 0.000 0.281 160 L C -1.386 175.425 176.870 -0.098 0.000 1.005 160 L CA -0.616 54.171 54.840 -0.088 0.000 0.828 160 L CB 1.074 43.094 42.059 -0.066 0.000 1.227 160 L HN 0.795 nan 8.230 nan 0.000 0.415 161 Y N 5.741 125.921 120.300 -0.201 0.000 2.359 161 Y HA 0.501 5.043 4.550 -0.013 0.000 0.334 161 Y C -0.306 175.516 175.900 -0.130 0.000 1.058 161 Y CA -0.279 57.713 58.100 -0.180 0.000 1.244 161 Y CB 0.594 38.885 38.460 -0.283 0.000 1.187 161 Y HN 0.510 nan 8.280 nan 0.000 0.510 162 I N 7.612 127.864 120.570 -0.531 0.000 2.328 162 I HA 0.299 4.461 4.170 -0.013 0.000 0.287 162 I C -0.484 175.294 176.117 -0.565 0.000 1.012 162 I CA -0.812 60.247 61.300 -0.401 0.000 1.195 162 I CB 1.047 38.888 38.000 -0.264 0.000 1.350 162 I HN 0.423 nan 8.210 nan 0.000 0.464 163 R N 9.149 129.453 120.500 -0.327 0.000 2.332 163 R HA 0.489 4.822 4.340 -0.013 0.000 0.306 163 R C -2.856 173.344 176.300 -0.166 0.000 1.117 163 R CA -2.285 53.691 56.100 -0.208 0.000 1.108 163 R CB 0.525 30.835 30.300 0.016 0.000 1.126 163 R HN 0.176 nan 8.270 nan 0.000 0.548 164 P HA 0.344 nan 4.420 nan 0.000 0.279 164 P C -1.150 176.005 177.300 -0.241 0.000 1.239 164 P CA -0.258 62.708 63.100 -0.223 0.000 0.789 164 P CB 1.628 33.232 31.700 -0.160 0.000 0.933 165 T N 2.639 116.894 114.554 -0.498 0.000 2.952 165 T HA 0.504 4.846 4.350 -0.013 0.000 0.305 165 T C -1.495 173.049 174.700 -0.260 0.000 1.064 165 T CA -0.151 61.666 62.100 -0.471 0.000 1.008 165 T CB 0.701 68.946 68.868 -1.038 0.000 1.078 165 T HN 0.090 nan 8.240 nan 0.000 0.459 166 F N 5.015 124.904 119.950 -0.101 0.000 2.499 166 F HA 0.715 5.235 4.527 -0.012 0.000 0.333 166 F C -0.852 175.010 175.800 0.103 0.000 1.138 166 F CA -2.258 55.767 58.000 0.042 0.000 0.945 166 F CB 0.634 39.684 39.000 0.082 0.000 1.181 166 F HN 0.580 nan 8.300 nan 0.000 0.435 167 I N 1.951 122.786 120.570 0.441 0.000 2.730 167 I HA 0.836 4.999 4.170 -0.013 0.000 0.298 167 I C -0.065 176.149 176.117 0.161 0.000 1.089 167 I CA -1.180 60.258 61.300 0.230 0.000 1.041 167 I CB 2.177 40.344 38.000 0.278 0.000 1.235 167 I HN 0.623 nan 8.210 nan 0.000 0.423 168 G N 1.859 110.702 108.800 0.071 0.000 2.370 168 G HA2 0.466 4.418 3.960 -0.013 0.000 0.272 168 G HA3 0.466 4.418 3.960 -0.013 0.000 0.272 168 G C 0.330 175.295 174.900 0.108 0.000 1.208 168 G CA -0.186 44.954 45.100 0.067 0.000 0.856 168 G HN 0.864 nan 8.290 nan 0.000 0.500 169 T N -0.633 113.993 114.554 0.120 0.000 3.293 169 T HA 0.235 4.577 4.350 -0.013 0.000 0.276 169 T C 0.228 174.964 174.700 0.061 0.000 1.003 169 T CA -0.525 61.637 62.100 0.104 0.000 0.916 169 T CB 0.486 69.425 68.868 0.118 0.000 1.134 169 T HN 0.383 nan 8.240 nan 0.000 0.530 170 E N 4.470 124.700 120.200 0.051 0.000 2.383 170 E HA 0.077 4.419 4.350 -0.013 0.000 0.257 170 E C -1.906 174.650 176.600 -0.073 0.000 1.079 170 E CA -1.890 54.512 56.400 0.004 0.000 0.934 170 E CB 1.063 30.782 29.700 0.031 0.000 0.978 170 E HN 0.306 nan 8.360 nan 0.000 0.462 171 P HA -0.010 nan 4.420 nan 0.000 0.261 171 P C -0.702 176.395 177.300 -0.338 0.000 1.650 171 P CA 0.095 62.924 63.100 -0.453 0.000 0.846 171 P CB -0.225 31.067 31.700 -0.680 0.000 1.758 172 S N -0.823 114.773 115.700 -0.173 0.000 2.548 172 S HA 0.352 4.815 4.470 -0.013 0.000 0.276 172 S C 0.546 175.111 174.600 -0.058 0.000 1.129 172 S CA -0.812 57.321 58.200 -0.111 0.000 0.931 172 S CB 1.111 64.267 63.200 -0.072 0.000 1.068 172 S HN -0.046 nan 8.310 nan 0.000 0.480 173 L N 2.075 123.264 121.223 -0.056 0.000 2.551 173 L HA 0.210 4.542 4.340 -0.013 0.000 0.228 173 L C 1.609 178.577 176.870 0.162 0.000 1.153 173 L CA 0.469 55.320 54.840 0.018 0.000 0.851 173 L CB -0.792 41.251 42.059 -0.027 0.000 0.959 173 L HN 0.919 nan 8.230 nan 0.000 0.451 174 G N 0.257 109.091 108.800 0.057 0.000 2.361 174 G HA2 0.324 4.276 3.960 -0.013 0.000 0.260 174 G HA3 0.324 4.276 3.960 -0.013 0.000 0.260 174 G C -0.113 174.745 174.900 -0.070 0.000 1.261 174 G CA -0.399 44.692 45.100 -0.016 0.000 0.897 174 G HN -0.088 nan 8.290 nan 0.000 0.499 175 V N 4.068 123.814 119.914 -0.279 0.000 2.400 175 V HA 0.255 4.367 4.120 -0.013 0.000 0.263 175 V C 0.589 176.581 176.094 -0.169 0.000 1.026 175 V CA 0.427 62.484 62.300 -0.405 0.000 1.077 175 V CB -0.993 30.502 31.823 -0.546 0.000 1.054 175 V HN 0.943 nan 8.190 nan 0.000 0.477 176 K N 3.249 123.602 120.400 -0.080 0.000 2.597 176 K HA 0.471 4.783 4.320 -0.013 0.000 0.282 176 K C -0.831 175.759 176.600 -0.015 0.000 0.975 176 K CA -1.202 55.058 56.287 -0.046 0.000 0.867 176 K CB 1.709 34.188 32.500 -0.035 0.000 1.465 176 K HN 0.215 nan 8.250 nan 0.000 0.417 177 K N 2.713 123.102 120.400 -0.018 0.000 2.466 177 K HA 0.053 4.365 4.320 -0.013 0.000 0.278 177 K C -1.846 174.765 176.600 0.019 0.000 1.048 177 K CA -0.882 55.398 56.287 -0.013 0.000 1.088 177 K CB 0.208 32.700 32.500 -0.014 0.000 0.884 177 K HN 0.392 nan 8.250 nan 0.000 0.478 178 P HA -0.043 nan 4.420 nan 0.000 0.268 178 P C 0.010 177.425 177.300 0.192 0.000 1.205 178 P CA 0.015 63.161 63.100 0.077 0.000 0.771 178 P CB 1.046 32.777 31.700 0.051 0.000 0.858 179 T N -0.741 113.911 114.554 0.163 0.000 3.069 179 T HA 0.233 4.575 4.350 -0.013 0.000 0.252 179 T C 0.497 175.247 174.700 0.084 0.000 1.053 179 T CA 0.082 62.260 62.100 0.130 0.000 0.964 179 T CB 0.110 68.961 68.868 -0.028 0.000 1.005 179 T HN 0.331 nan 8.240 nan 0.000 0.532 180 K N 0.427 120.969 120.400 0.237 0.000 2.501 180 K HA 0.751 5.064 4.320 -0.013 0.000 0.252 180 K C -1.530 175.276 176.600 0.344 0.000 0.934 180 K CA -0.719 55.702 56.287 0.223 0.000 0.797 180 K CB 2.550 35.094 32.500 0.073 0.000 1.270 180 K HN 0.239 nan 8.250 nan 0.000 0.431 181 A N 2.491 125.581 122.820 0.449 0.000 2.569 181 A HA 0.776 5.089 4.320 -0.013 0.000 0.290 181 A C -2.038 175.773 177.584 0.378 0.000 1.136 181 A CA -0.710 51.541 52.037 0.357 0.000 0.710 181 A CB 1.742 20.910 19.000 0.280 0.000 1.303 181 A HN 0.489 nan 8.150 nan 0.000 0.413 182 L N 1.776 123.256 121.223 0.429 0.000 2.470 182 L HA 0.538 4.871 4.340 -0.013 0.000 0.268 182 L C -2.016 175.153 176.870 0.499 0.000 0.964 182 L CA -0.487 54.594 54.840 0.402 0.000 0.839 182 L CB 1.508 43.741 42.059 0.290 0.000 1.276 182 L HN 0.763 nan 8.230 nan 0.000 0.403 183 L N 6.678 128.107 121.223 0.343 0.000 2.341 183 L HA 0.666 4.999 4.340 -0.013 0.000 0.278 183 L C -1.273 175.673 176.870 0.125 0.000 1.005 183 L CA -0.325 54.558 54.840 0.072 0.000 0.818 183 L CB 1.530 43.411 42.059 -0.295 0.000 1.259 183 L HN 0.672 nan 8.230 nan 0.000 0.418 184 F N 3.479 123.381 119.950 -0.079 0.000 2.685 184 F HA 0.848 5.367 4.527 -0.014 0.000 0.315 184 F C -1.507 174.238 175.800 -0.091 0.000 1.126 184 F CA -1.041 56.905 58.000 -0.090 0.000 0.950 184 F CB 1.661 40.633 39.000 -0.047 0.000 1.360 184 F HN 0.043 nan 8.300 nan 0.000 0.469 185 V N 2.595 122.550 119.914 0.069 0.000 2.668 185 V HA 0.487 4.600 4.120 -0.013 0.000 0.304 185 V C -0.637 175.501 176.094 0.074 0.000 1.071 185 V CA -0.680 61.592 62.300 -0.047 0.000 0.894 185 V CB 1.584 33.345 31.823 -0.102 0.000 1.008 185 V HN 0.791 nan 8.190 nan 0.000 0.425 186 L N 4.909 126.177 121.223 0.074 0.000 2.334 186 L HA 0.691 5.024 4.340 -0.013 0.000 0.272 186 L C -0.818 176.091 176.870 0.066 0.000 1.020 186 L CA -0.718 54.197 54.840 0.124 0.000 0.812 186 L CB 1.879 44.079 42.059 0.236 0.000 1.264 186 L HN 0.396 nan 8.230 nan 0.000 0.439 187 L N 1.641 122.900 121.223 0.060 0.000 2.356 187 L HA 0.494 4.827 4.340 -0.013 0.000 0.277 187 L C -0.348 176.487 176.870 -0.059 0.000 0.996 187 L CA -0.250 54.568 54.840 -0.036 0.000 0.822 187 L CB 1.927 43.916 42.059 -0.118 0.000 1.256 187 L HN 0.553 nan 8.230 nan 0.000 0.413 188 S N 4.940 120.577 115.700 -0.105 0.000 2.789 188 S HA 0.513 4.976 4.470 -0.013 0.000 0.286 188 S C -2.657 171.837 174.600 -0.177 0.000 1.153 188 S CA -1.322 56.720 58.200 -0.265 0.000 1.084 188 S CB 1.513 64.422 63.200 -0.484 0.000 1.036 188 S HN 0.309 nan 8.310 nan 0.000 0.484 189 P HA 0.254 nan 4.420 nan 0.000 0.268 189 P C -0.319 176.933 177.300 -0.080 0.000 1.204 189 P CA -0.122 62.976 63.100 -0.002 0.000 0.768 189 P CB 0.948 32.736 31.700 0.147 0.000 0.842 190 V N -0.227 119.655 119.914 -0.053 0.000 3.206 190 V HA 0.888 5.001 4.120 -0.013 0.000 0.305 190 V C 0.103 176.233 176.094 0.061 0.000 1.257 190 V CA -0.191 62.078 62.300 -0.051 0.000 1.057 190 V CB 1.450 33.161 31.823 -0.185 0.000 1.075 190 V HN 0.628 nan 8.190 nan 0.000 0.443 191 G N 0.366 109.230 108.800 0.106 0.000 2.694 191 G HA2 0.650 4.603 3.960 -0.013 0.000 0.212 191 G HA3 0.650 4.603 3.960 -0.013 0.000 0.212 191 G C -2.293 172.734 174.900 0.212 0.000 2.030 191 G CA 0.009 45.197 45.100 0.148 0.000 0.731 191 G HN 0.814 nan 8.290 nan 0.000 0.795 192 P HA 0.315 nan 4.420 nan 0.000 0.283 192 P C -0.543 176.959 177.300 0.337 0.000 1.278 192 P CA -0.576 62.689 63.100 0.275 0.000 0.834 192 P CB 2.269 34.106 31.700 0.229 0.000 1.150 193 Y N 0.038 120.441 120.300 0.172 0.000 2.231 193 Y HA 0.126 4.668 4.550 -0.013 0.000 0.294 193 Y C 0.933 176.745 175.900 -0.147 0.000 1.120 193 Y CA 0.874 58.913 58.100 -0.101 0.000 1.141 193 Y CB -0.446 37.842 38.460 -0.287 0.000 1.022 193 Y HN 0.095 nan 8.280 nan 0.000 0.523 200 N N 0.836 119.670 118.700 0.223 0.000 2.732 200 N HA 0.570 5.302 4.740 -0.013 0.000 0.247 200 N C -3.133 172.356 175.510 -0.035 0.000 1.305 200 N CA -1.398 51.688 53.050 0.061 0.000 0.762 200 N CB 0.891 39.390 38.487 0.021 0.000 1.361 200 N HN 0.355 nan 8.380 nan 0.000 0.545 201 P HA 0.208 nan 4.420 nan 0.000 0.267 201 P C 0.180 177.413 177.300 -0.111 0.000 1.195 201 P CA 0.287 63.344 63.100 -0.071 0.000 0.773 201 P CB 0.988 32.672 31.700 -0.026 0.000 0.837 202 V N -1.903 117.938 119.914 -0.123 0.000 3.046 202 V HA 0.735 4.847 4.120 -0.013 0.000 0.316 202 V C -0.204 175.868 176.094 -0.037 0.000 1.104 202 V CA -0.971 61.258 62.300 -0.117 0.000 1.006 202 V CB 1.674 33.390 31.823 -0.179 0.000 1.058 202 V HN 0.652 nan 8.190 nan 0.000 0.440 203 S N 1.839 117.541 115.700 0.002 0.000 2.472 203 S HA 0.790 5.253 4.470 -0.013 0.000 0.303 203 S C -0.757 173.885 174.600 0.069 0.000 1.099 203 S CA -0.682 57.541 58.200 0.039 0.000 1.077 203 S CB 0.645 63.880 63.200 0.058 0.000 1.031 203 S HN 0.726 nan 8.310 nan 0.000 0.487 204 L N 4.076 125.342 121.223 0.072 0.000 2.331 204 L HA 0.554 4.886 4.340 -0.013 0.000 0.275 204 L C -0.324 176.649 176.870 0.172 0.000 1.022 204 L CA -0.792 54.103 54.840 0.092 0.000 0.812 204 L CB 1.277 43.349 42.059 0.022 0.000 1.257 204 L HN 0.673 nan 8.230 nan 0.000 0.435 205 W N 3.140 124.401 121.300 -0.065 0.000 2.316 205 W HA 0.620 5.272 4.660 -0.013 0.000 0.308 205 W C -0.947 175.517 176.519 -0.092 0.000 1.106 205 W CA -0.863 56.445 57.345 -0.062 0.000 1.262 205 W CB 1.597 31.018 29.460 -0.066 0.000 1.233 205 W HN 0.519 nan 8.180 nan 0.000 0.447 206 A N 5.898 128.422 122.820 -0.495 0.000 2.511 206 A HA 0.203 4.515 4.320 -0.013 0.000 0.340 206 A C -0.860 176.398 177.584 -0.543 0.000 1.396 206 A CA -0.555 51.230 52.037 -0.420 0.000 0.887 206 A CB 0.139 18.983 19.000 -0.261 0.000 1.145 206 A HN 0.556 nan 8.150 nan 0.000 0.497 207 N N 3.812 122.174 118.700 -0.563 0.000 2.564 207 N HA 0.325 5.057 4.740 -0.013 0.000 0.248 207 N C -1.874 173.495 175.510 -0.235 0.000 0.986 207 N CA -2.173 50.599 53.050 -0.465 0.000 0.921 207 N CB 1.925 40.119 38.487 -0.488 0.000 1.136 207 N HN 0.262 nan 8.380 nan 0.000 0.509 208 P HA -0.101 nan 4.420 nan 0.000 0.231 208 P C 0.868 178.177 177.300 0.015 0.000 1.158 208 P CA 0.891 63.992 63.100 0.002 0.000 0.763 208 P CB 0.158 31.876 31.700 0.029 0.000 0.805 209 K N -0.393 119.918 120.400 -0.149 0.000 2.365 209 K HA -0.071 4.241 4.320 -0.013 0.000 0.199 209 K C 0.746 177.339 176.600 -0.011 0.000 1.045 209 K CA 0.722 56.915 56.287 -0.158 0.000 0.962 209 K CB -1.152 31.147 32.500 -0.335 0.000 0.759 209 K HN 0.365 nan 8.250 nan 0.000 0.469 210 Y N -0.268 120.167 120.300 0.225 0.000 2.328 210 Y HA 0.471 5.013 4.550 -0.012 0.000 0.337 210 Y C -0.347 175.838 175.900 0.475 0.000 0.966 210 Y CA -1.466 56.843 58.100 0.348 0.000 1.136 210 Y CB 2.094 40.789 38.460 0.392 0.000 1.170 210 Y HN -0.162 nan 8.280 nan 0.000 0.470 211 V N 5.077 125.338 119.914 0.579 0.000 2.384 211 V HA 0.286 4.398 4.120 -0.013 0.000 0.287 211 V C 0.785 177.033 176.094 0.258 0.000 1.020 211 V CA -0.694 61.897 62.300 0.485 0.000 0.850 211 V CB 1.527 33.637 31.823 0.479 0.000 0.987 211 V HN 0.875 nan 8.190 nan 0.000 0.436 212 R N 3.264 123.760 120.500 -0.007 0.000 2.057 212 R HA 0.225 4.557 4.340 -0.013 0.000 0.229 212 R C 0.633 176.781 176.300 -0.254 0.000 1.136 212 R CA 1.447 57.203 56.100 -0.573 0.000 0.952 212 R CB 0.186 29.769 30.300 -1.195 0.000 0.848 212 R HN 0.818 nan 8.270 nan 0.000 0.430 213 A N -0.970 121.794 122.820 -0.093 0.000 2.515 213 A HA 0.462 4.774 4.320 -0.013 0.000 0.296 213 A C -1.983 175.683 177.584 0.136 0.000 1.094 213 A CA -0.705 51.315 52.037 -0.027 0.000 0.718 213 A CB 1.195 20.101 19.000 -0.157 0.000 1.307 213 A HN 0.355 nan 8.150 nan 0.000 0.408 214 W N 1.291 122.567 121.300 -0.040 0.000 2.936 214 W HA 0.498 5.151 4.660 -0.012 0.000 0.338 214 W C -1.070 175.437 176.519 -0.020 0.000 1.121 214 W CA -0.863 56.515 57.345 0.055 0.000 1.209 214 W CB 1.904 31.429 29.460 0.108 0.000 1.420 214 W HN 0.675 nan 8.180 nan 0.000 0.516 215 K N 1.502 121.758 120.400 -0.240 0.000 2.472 215 K HA 0.314 4.626 4.320 -0.013 0.000 0.280 215 K C 0.794 177.485 176.600 0.151 0.000 1.028 215 K CA 1.932 58.164 56.287 -0.092 0.000 1.045 215 K CB 0.070 32.480 32.500 -0.150 0.000 0.902 215 K HN 0.703 nan 8.250 nan 0.000 0.478 216 G N 1.312 110.164 108.800 0.088 0.000 2.179 216 G HA2 -0.193 3.759 3.960 -0.013 0.000 0.220 216 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.220 216 G C 0.572 175.528 174.900 0.093 0.000 0.990 216 G CA -0.135 45.028 45.100 0.105 0.000 0.646 216 G HN 0.891 nan 8.290 nan 0.000 0.517 217 G N -0.770 108.088 108.800 0.096 0.000 2.695 217 G HA2 0.606 4.558 3.960 -0.013 0.000 0.213 217 G HA3 0.606 4.558 3.960 -0.013 0.000 0.213 217 G C 0.953 175.862 174.900 0.015 0.000 1.406 217 G CA 1.158 46.296 45.100 0.064 0.000 1.049 217 G HN 1.179 nan 8.290 nan 0.000 0.573 218 T N -3.441 111.110 114.554 -0.004 0.000 3.200 218 T HA 0.311 4.653 4.350 -0.013 0.000 0.284 218 T C 1.873 176.543 174.700 -0.051 0.000 1.009 218 T CA 0.861 62.948 62.100 -0.022 0.000 0.907 218 T CB 0.701 69.562 68.868 -0.011 0.000 1.120 218 T HN 0.648 nan 8.240 nan 0.000 0.534 219 G N 2.937 111.692 108.800 -0.076 0.000 2.485 219 G HA2 -0.224 3.728 3.960 -0.013 0.000 0.221 219 G HA3 -0.224 3.728 3.960 -0.013 0.000 0.221 219 G C 1.126 175.963 174.900 -0.105 0.000 1.115 219 G CA 1.072 46.096 45.100 -0.127 0.000 0.751 219 G HN 0.720 nan 8.290 nan 0.000 0.567 220 D N -0.780 119.574 120.400 -0.078 0.000 2.325 220 D HA 0.127 4.759 4.640 -0.013 0.000 0.234 220 D C 0.456 176.729 176.300 -0.045 0.000 1.122 220 D CA -0.431 53.531 54.000 -0.063 0.000 0.850 220 D CB -0.708 40.056 40.800 -0.060 0.000 0.921 220 D HN 0.164 nan 8.370 nan 0.000 0.513 221 C N -0.166 119.111 119.300 -0.039 0.000 2.779 221 C HA 0.461 4.914 4.460 -0.013 0.000 0.314 221 C C 0.296 175.270 174.990 -0.026 0.000 1.231 221 C CA -1.090 57.908 59.018 -0.034 0.000 1.652 221 C CB 2.247 29.971 27.740 -0.027 0.000 2.198 221 C HN 0.069 nan 8.230 nan 0.000 0.483 222 K N 1.627 121.967 120.400 -0.100 0.000 2.765 222 K HA 0.334 4.646 4.320 -0.013 0.000 0.246 222 K C -0.664 175.801 176.600 -0.224 0.000 1.254 222 K CA 0.312 56.452 56.287 -0.245 0.000 1.219 222 K CB 0.051 32.160 32.500 -0.653 0.000 1.747 222 K HN 0.572 nan 8.250 nan 0.000 0.372 223 M N -0.080 119.560 119.600 0.067 0.000 2.209 223 M HA 0.151 4.624 4.480 -0.013 0.000 0.355 223 M C 1.548 178.053 176.300 0.343 0.000 1.171 223 M CA -0.278 55.100 55.300 0.130 0.000 1.069 223 M CB 1.570 34.217 32.600 0.077 0.000 1.622 223 M HN 0.501 nan 8.290 nan 0.000 0.459 224 G N 2.024 111.036 108.800 0.353 0.000 2.550 224 G HA2 -0.239 3.713 3.960 -0.013 0.000 0.222 224 G HA3 -0.239 3.713 3.960 -0.013 0.000 0.222 224 G C 1.286 176.416 174.900 0.383 0.000 1.113 224 G CA 1.235 46.589 45.100 0.424 0.000 0.748 224 G HN 0.993 nan 8.290 nan 0.000 0.585 225 G N 0.654 109.596 108.800 0.237 0.000 2.470 225 G HA2 -0.194 3.759 3.960 -0.013 0.000 0.220 225 G HA3 -0.194 3.759 3.960 -0.013 0.000 0.220 225 G C 1.551 176.503 174.900 0.087 0.000 1.121 225 G CA 0.885 46.072 45.100 0.145 0.000 0.766 225 G HN 0.473 nan 8.290 nan 0.000 0.553 226 N N -0.478 118.256 118.700 0.058 0.000 2.463 226 N HA 0.029 4.762 4.740 -0.013 0.000 0.181 226 N C 1.072 176.306 175.510 -0.460 0.000 1.078 226 N CA 0.544 53.439 53.050 -0.257 0.000 0.902 226 N CB -0.054 38.162 38.487 -0.452 0.000 0.970 226 N HN 0.484 nan 8.380 nan 0.000 0.451 227 Y N 0.038 120.384 120.300 0.076 0.000 2.500 227 Y HA 0.311 4.853 4.550 -0.014 0.000 0.284 227 Y C 2.515 178.471 175.900 0.094 0.000 1.118 227 Y CA 0.197 58.356 58.100 0.098 0.000 1.241 227 Y CB -0.688 37.868 38.460 0.160 0.000 1.171 227 Y HN -0.041 nan 8.280 nan 0.000 0.540 228 G N 0.397 109.332 108.800 0.226 0.000 2.469 228 G HA2 -0.307 3.646 3.960 -0.013 0.000 0.219 228 G HA3 -0.307 3.646 3.960 -0.013 0.000 0.219 228 G C 1.700 176.671 174.900 0.119 0.000 1.150 228 G CA 1.540 46.731 45.100 0.153 0.000 0.763 228 G HN 0.446 nan 8.290 nan 0.000 0.561 229 S N 0.765 116.515 115.700 0.084 0.000 2.584 229 S HA -0.046 4.417 4.470 -0.013 0.000 0.240 229 S C 2.031 176.696 174.600 0.108 0.000 0.975 229 S CA 1.463 59.701 58.200 0.063 0.000 0.949 229 S CB -0.197 63.016 63.200 0.022 0.000 0.761 229 S HN 0.584 nan 8.310 nan 0.000 0.536 230 S N 0.220 116.019 115.700 0.165 0.000 2.512 230 S HA 0.293 4.755 4.470 -0.013 0.000 0.216 230 S C 1.294 176.062 174.600 0.279 0.000 1.006 230 S CA -0.311 58.082 58.200 0.321 0.000 0.915 230 S CB -0.416 63.048 63.200 0.440 0.000 0.824 230 S HN 0.281 nan 8.310 nan 0.000 0.497 231 L N 1.010 122.356 121.223 0.205 0.000 2.187 231 L HA 0.112 4.444 4.340 -0.013 0.000 0.213 231 L C 1.990 178.938 176.870 0.129 0.000 1.100 231 L CA 1.303 56.236 54.840 0.155 0.000 0.765 231 L CB -1.341 40.796 42.059 0.130 0.000 0.904 231 L HN 0.389 nan 8.230 nan 0.000 0.437 232 F N 0.144 120.088 119.950 -0.010 0.000 2.146 232 F HA -0.159 4.361 4.527 -0.012 0.000 0.298 232 F C 2.351 178.101 175.800 -0.083 0.000 1.096 232 F CA 1.201 59.162 58.000 -0.065 0.000 1.275 232 F CB -0.273 38.647 39.000 -0.132 0.000 1.008 232 F HN 0.040 nan 8.300 nan 0.000 0.480 233 A N -0.333 122.479 122.820 -0.013 0.000 1.898 233 A HA -0.220 4.092 4.320 -0.013 0.000 0.216 233 A C 2.063 179.651 177.584 0.007 0.000 1.181 233 A CA 1.615 53.657 52.037 0.009 0.000 0.620 233 A CB -0.951 18.079 19.000 0.050 0.000 0.819 233 A HN 0.510 nan 8.150 nan 0.000 0.442 234 Q N -0.187 119.631 119.800 0.030 0.000 2.061 234 Q HA -0.188 4.145 4.340 -0.013 0.000 0.204 234 Q C 1.975 177.926 176.000 -0.082 0.000 0.984 234 Q CA 2.538 58.350 55.803 0.015 0.000 0.846 234 Q CB -1.006 27.777 28.738 0.075 0.000 0.902 234 Q HN 0.602 nan 8.270 nan 0.000 0.421 235 C N 0.641 119.863 119.300 -0.130 0.000 2.432 235 C HA -0.123 4.330 4.460 -0.013 0.000 0.277 235 C C 2.524 177.339 174.990 -0.292 0.000 1.249 235 C CA 1.165 60.063 59.018 -0.199 0.000 1.725 235 C CB -1.052 26.547 27.740 -0.235 0.000 2.028 235 C HN 0.768 nan 8.230 nan 0.000 0.477 236 E N 0.825 120.809 120.200 -0.360 0.000 2.209 236 E HA -0.173 4.169 4.350 -0.013 0.000 0.196 236 E C 2.053 178.240 176.600 -0.688 0.000 0.993 236 E CA 1.194 57.341 56.400 -0.421 0.000 0.819 236 E CB -0.091 29.492 29.700 -0.194 0.000 0.745 236 E HN 0.627 nan 8.360 nan 0.000 0.477 237 A N 0.830 123.346 122.820 -0.507 0.000 1.841 237 A HA -0.134 4.179 4.320 -0.013 0.000 0.214 237 A C 2.470 179.821 177.584 -0.389 0.000 1.195 237 A CA 1.719 53.447 52.037 -0.515 0.000 0.611 237 A CB -1.088 17.843 19.000 -0.114 0.000 0.835 237 A HN 0.320 nan 8.150 nan 0.000 0.443 238 V N -1.013 118.760 119.914 -0.234 0.000 2.332 238 V HA -0.278 3.834 4.120 -0.013 0.000 0.248 238 V C 1.776 177.743 176.094 -0.211 0.000 1.055 238 V CA 2.759 64.961 62.300 -0.163 0.000 1.038 238 V CB -1.418 30.343 31.823 -0.104 0.000 0.651 238 V HN 0.421 nan 8.190 nan 0.000 0.450 239 D N 1.084 121.323 120.400 -0.269 0.000 2.239 239 D HA -0.147 4.486 4.640 -0.013 0.000 0.202 239 D C 1.522 177.650 176.300 -0.287 0.000 0.993 239 D CA 1.657 55.504 54.000 -0.255 0.000 0.874 239 D CB -0.418 40.215 40.800 -0.278 0.000 0.922 239 D HN 0.598 nan 8.370 nan 0.000 0.464 240 N N -0.502 117.936 118.700 -0.435 0.000 2.451 240 N HA 0.174 4.906 4.740 -0.013 0.000 0.264 240 N C 0.801 176.189 175.510 -0.203 0.000 1.167 240 N CA 0.410 53.217 53.050 -0.406 0.000 0.898 240 N CB 1.125 39.077 38.487 -0.892 0.000 1.176 240 N HN 0.155 nan 8.380 nan 0.000 0.507 241 G N 0.426 109.142 108.800 -0.139 0.000 2.186 241 G HA2 -0.312 3.640 3.960 -0.013 0.000 0.266 241 G HA3 -0.312 3.640 3.960 -0.013 0.000 0.266 241 G C 0.343 175.229 174.900 -0.023 0.000 0.982 241 G CA 0.296 45.361 45.100 -0.058 0.000 0.670 241 G HN 0.445 nan 8.290 nan 0.000 0.533 242 C N -0.542 118.734 119.300 -0.040 0.000 2.364 242 C HA 0.631 5.083 4.460 -0.013 0.000 0.356 242 C C 1.527 176.538 174.990 0.036 0.000 1.201 242 C CA -0.318 58.718 59.018 0.029 0.000 2.227 242 C CB 1.640 29.440 27.740 0.101 0.000 2.387 242 C HN 0.555 nan 8.230 nan 0.000 0.546 243 Q N -0.033 119.817 119.800 0.084 0.000 2.396 243 Q HA 0.178 4.511 4.340 -0.013 0.000 0.209 243 Q C 0.463 176.606 176.000 0.239 0.000 0.906 243 Q CA 0.989 56.890 55.803 0.164 0.000 0.927 243 Q CB 0.181 29.020 28.738 0.168 0.000 1.069 243 Q HN 0.623 nan 8.270 nan 0.000 0.523 244 Q N -1.078 118.830 119.800 0.180 0.000 2.565 244 Q HA 0.460 4.792 4.340 -0.013 0.000 0.294 244 Q C -1.232 174.828 176.000 0.099 0.000 1.005 244 Q CA -0.732 55.180 55.803 0.181 0.000 0.771 244 Q CB 2.291 31.173 28.738 0.240 0.000 1.486 244 Q HN -0.098 nan 8.270 nan 0.000 0.422 245 V N 1.787 121.706 119.914 0.008 0.000 2.435 245 V HA 0.326 4.438 4.120 -0.013 0.000 0.290 245 V C -0.378 175.508 176.094 -0.347 0.000 1.030 245 V CA -0.740 61.430 62.300 -0.217 0.000 0.881 245 V CB 1.436 32.899 31.823 -0.599 0.000 0.983 245 V HN 0.556 nan 8.190 nan 0.000 0.445 246 L N 5.863 126.926 121.223 -0.266 0.000 2.260 246 L HA 0.477 4.809 4.340 -0.013 0.000 0.289 246 L C -0.807 175.928 176.870 -0.225 0.000 1.057 246 L CA -0.138 54.597 54.840 -0.176 0.000 0.811 246 L CB 0.421 42.404 42.059 -0.127 0.000 1.184 246 L HN 0.630 nan 8.230 nan 0.000 0.429 247 W N 6.722 128.055 121.300 0.054 0.000 2.388 247 W HA 0.456 5.108 4.660 -0.012 0.000 0.308 247 W C -0.439 176.117 176.519 0.061 0.000 1.263 247 W CA -0.410 56.981 57.345 0.077 0.000 1.286 247 W CB 0.437 29.945 29.460 0.079 0.000 1.294 247 W HN 0.330 nan 8.180 nan 0.000 0.493 248 L N 3.950 125.354 121.223 0.302 0.000 2.334 248 L HA 0.558 4.891 4.340 -0.013 0.000 0.275 248 L C -0.776 176.290 176.870 0.327 0.000 1.036 248 L CA -1.378 53.599 54.840 0.229 0.000 0.807 248 L CB 1.048 43.186 42.059 0.132 0.000 1.231 248 L HN 0.346 nan 8.230 nan 0.000 0.438 249 Y N 0.911 121.273 120.300 0.103 0.000 2.470 249 Y HA 0.612 5.154 4.550 -0.013 0.000 0.341 249 Y C 0.180 176.047 175.900 -0.056 0.000 1.021 249 Y CA 0.040 58.158 58.100 0.030 0.000 1.025 249 Y CB 1.996 40.429 38.460 -0.045 0.000 1.266 249 Y HN 0.784 nan 8.280 nan 0.000 0.448 250 G N 4.111 112.386 108.800 -0.876 0.000 2.814 250 G HA2 -0.228 3.725 3.960 -0.013 0.000 0.677 250 G HA3 -0.228 3.725 3.960 -0.013 0.000 0.677 250 G C 0.307 174.967 174.900 -0.400 0.000 1.429 250 G CA 0.054 44.729 45.100 -0.708 0.000 0.868 250 G HN 0.825 nan 8.290 nan 0.000 0.553 251 E N 0.275 120.262 120.200 -0.355 0.000 2.118 251 E HA -0.152 4.191 4.350 -0.013 0.000 0.195 251 E C 1.694 177.982 176.600 -0.520 0.000 0.992 251 E CA 1.577 57.763 56.400 -0.356 0.000 0.804 251 E CB -0.098 29.470 29.700 -0.221 0.000 0.741 251 E HN 0.690 nan 8.360 nan 0.000 0.458 252 D N -0.413 119.769 120.400 -0.364 0.000 2.319 252 D HA -0.088 4.544 4.640 -0.013 0.000 0.230 252 D C -0.356 175.837 176.300 -0.180 0.000 1.094 252 D CA -0.074 53.768 54.000 -0.262 0.000 0.856 252 D CB -0.433 40.284 40.800 -0.138 0.000 0.915 252 D HN 0.108 nan 8.370 nan 0.000 0.517 253 H N 0.238 119.286 119.070 -0.037 0.000 2.506 253 H HA -0.175 4.373 4.556 -0.013 0.000 0.323 253 H C -0.438 174.869 175.328 -0.034 0.000 1.076 253 H CA 0.670 56.702 56.048 -0.026 0.000 1.108 253 H CB -2.356 27.400 29.762 -0.011 0.000 1.569 253 H HN 0.521 nan 8.280 nan 0.000 0.399 254 Q N 0.630 120.472 119.800 0.072 0.000 2.392 254 Q HA 0.368 4.701 4.340 -0.013 0.000 0.262 254 Q C 1.444 177.485 176.000 0.068 0.000 1.003 254 Q CA -0.085 55.758 55.803 0.067 0.000 0.888 254 Q CB 1.162 29.955 28.738 0.091 0.000 1.260 254 Q HN 0.581 nan 8.270 nan 0.000 0.435 255 I N -1.070 119.507 120.570 0.012 0.000 2.315 255 I HA 0.291 4.453 4.170 -0.013 0.000 0.291 255 I C 0.716 176.835 176.117 0.002 0.000 1.006 255 I CA -0.442 60.850 61.300 -0.013 0.000 1.265 255 I CB 1.327 39.272 38.000 -0.093 0.000 1.387 255 I HN 0.721 nan 8.210 nan 0.000 0.475 256 T N 1.957 116.541 114.554 0.049 0.000 3.111 256 T HA 0.336 4.679 4.350 -0.013 0.000 0.236 256 T C 0.552 175.252 174.700 0.000 0.000 0.984 256 T CA 0.107 62.218 62.100 0.018 0.000 1.195 256 T CB 0.056 68.942 68.868 0.029 0.000 0.929 256 T HN 0.732 nan 8.240 nan 0.000 0.431 257 E N 0.222 120.484 120.200 0.102 0.000 2.383 257 E HA 0.557 4.900 4.350 -0.013 0.000 0.275 257 E C -1.748 174.985 176.600 0.222 0.000 0.918 257 E CA -0.899 55.572 56.400 0.119 0.000 0.764 257 E CB 3.215 32.981 29.700 0.110 0.000 1.252 257 E HN 0.037 nan 8.360 nan 0.000 0.449 258 V N 2.981 122.990 119.914 0.159 0.000 2.322 258 V HA 0.342 4.454 4.120 -0.013 0.000 0.258 258 V C 0.912 177.155 176.094 0.249 0.000 1.074 258 V CA 0.766 63.160 62.300 0.157 0.000 0.909 258 V CB -0.363 31.521 31.823 0.102 0.000 1.090 258 V HN 0.993 nan 8.190 nan 0.000 0.486 259 G N 5.378 114.377 108.800 0.332 0.000 2.583 259 G HA2 -0.312 3.641 3.960 -0.013 0.000 0.292 259 G HA3 -0.312 3.641 3.960 -0.013 0.000 0.292 259 G C 0.598 175.787 174.900 0.482 0.000 1.203 259 G CA 0.376 45.740 45.100 0.440 0.000 0.987 259 G HN 1.285 nan 8.290 nan 0.000 0.554 260 T N -1.771 112.983 114.554 0.333 0.000 3.221 260 T HA 0.714 5.056 4.350 -0.013 0.000 0.246 260 T C 0.228 175.032 174.700 0.173 0.000 0.952 260 T CA 0.277 62.532 62.100 0.257 0.000 0.994 260 T CB -0.284 68.785 68.868 0.335 0.000 1.127 260 T HN 0.590 nan 8.240 nan 0.000 0.549 261 M N 1.474 121.171 119.600 0.162 0.000 2.501 261 M HA 0.437 4.910 4.480 -0.013 0.000 0.293 261 M C -0.612 175.750 176.300 0.103 0.000 1.192 261 M CA -0.900 54.478 55.300 0.129 0.000 0.886 261 M CB 2.101 34.788 32.600 0.145 0.000 1.710 261 M HN 0.021 nan 8.290 nan 0.000 0.457 262 N N 2.009 120.757 118.700 0.080 0.000 2.479 262 N HA 0.295 5.028 4.740 -0.013 0.000 0.257 262 N C -1.194 174.268 175.510 -0.080 0.000 1.232 262 N CA -0.053 52.979 53.050 -0.029 0.000 0.920 262 N CB 1.143 39.599 38.487 -0.052 0.000 1.105 262 N HN 0.604 nan 8.380 nan 0.000 0.444 263 L N 2.375 123.444 121.223 -0.257 0.000 2.282 263 L HA 0.473 4.805 4.340 -0.013 0.000 0.288 263 L C -1.283 175.230 176.870 -0.596 0.000 1.033 263 L CA -0.541 54.120 54.840 -0.298 0.000 0.807 263 L CB 0.231 42.167 42.059 -0.204 0.000 1.209 263 L HN 0.322 nan 8.230 nan 0.000 0.423 264 F N 5.208 124.859 119.950 -0.499 0.000 2.508 264 F HA 0.511 5.031 4.527 -0.013 0.000 0.325 264 F C -0.469 174.926 175.800 -0.675 0.000 1.090 264 F CA -0.649 56.948 58.000 -0.672 0.000 0.945 264 F CB 2.053 40.382 39.000 -1.118 0.000 1.156 264 F HN 0.294 nan 8.300 nan 0.000 0.463 265 L N 4.832 125.878 121.223 -0.295 0.000 2.427 265 L HA 0.365 4.697 4.340 -0.013 0.000 0.264 265 L C -1.644 175.140 176.870 -0.143 0.000 0.989 265 L CA -0.480 54.167 54.840 -0.322 0.000 0.865 265 L CB 0.604 42.313 42.059 -0.584 0.000 1.209 265 L HN 0.631 nan 8.230 nan 0.000 0.430 266 Y N 6.591 126.833 120.300 -0.096 0.000 2.436 266 Y HA 0.481 5.024 4.550 -0.013 0.000 0.343 266 Y C -0.818 175.179 175.900 0.163 0.000 1.008 266 Y CA -0.480 57.639 58.100 0.032 0.000 1.241 266 Y CB 0.354 38.853 38.460 0.066 0.000 1.153 266 Y HN 0.778 nan 8.280 nan 0.000 0.521 267 W N 5.800 127.041 121.300 -0.097 0.000 2.803 267 W HA 0.404 5.057 4.660 -0.012 0.000 0.424 267 W C -2.841 173.590 176.519 -0.146 0.000 1.092 267 W CA -1.906 55.323 57.345 -0.193 0.000 1.184 267 W CB -0.126 29.286 29.460 -0.080 0.000 1.470 267 W HN 0.214 nan 8.180 nan 0.000 0.598 268 I N 3.517 123.943 120.570 -0.240 0.000 2.307 268 I HA 0.171 4.334 4.170 -0.013 0.000 0.289 268 I C 0.891 176.442 176.117 -0.944 0.000 1.021 268 I CA -0.604 60.445 61.300 -0.418 0.000 1.224 268 I CB 0.204 38.051 38.000 -0.255 0.000 1.376 268 I HN 0.399 nan 8.210 nan 0.000 0.470 269 N N 4.302 122.419 118.700 -0.971 0.000 2.285 269 N HA 0.053 4.786 4.740 -0.013 0.000 0.262 269 N C 0.315 175.454 175.510 -0.618 0.000 1.299 269 N CA -0.564 51.828 53.050 -1.098 0.000 0.930 269 N CB 0.583 38.792 38.487 -0.462 0.000 1.157 269 N HN 0.407 nan 8.380 nan 0.000 0.532 270 E N -0.866 119.075 120.200 -0.431 0.000 2.396 270 E HA -0.135 4.207 4.350 -0.013 0.000 0.200 270 E C -0.064 176.443 176.600 -0.156 0.000 1.023 270 E CA 0.963 57.224 56.400 -0.232 0.000 0.857 270 E CB -0.071 29.558 29.700 -0.117 0.000 0.775 270 E HN 0.466 nan 8.360 nan 0.000 0.525 271 D N -1.262 119.046 120.400 -0.154 0.000 2.369 271 D HA 0.150 4.782 4.640 -0.013 0.000 0.211 271 D C 0.895 177.139 176.300 -0.095 0.000 1.077 271 D CA 0.584 54.529 54.000 -0.093 0.000 0.842 271 D CB 0.676 41.443 40.800 -0.054 0.000 0.947 271 D HN 0.200 nan 8.370 nan 0.000 0.509 272 G N 1.343 110.057 108.800 -0.143 0.000 2.143 272 G HA2 -0.289 3.664 3.960 -0.013 0.000 0.248 272 G HA3 -0.289 3.664 3.960 -0.013 0.000 0.248 272 G C 0.063 174.908 174.900 -0.092 0.000 0.991 272 G CA -0.047 44.982 45.100 -0.119 0.000 0.689 272 G HN 0.360 nan 8.290 nan 0.000 0.522 273 E N 0.140 120.282 120.200 -0.096 0.000 2.204 273 E HA 0.447 4.789 4.350 -0.013 0.000 0.276 273 E C 0.193 176.779 176.600 -0.024 0.000 0.974 273 E CA -0.680 55.703 56.400 -0.028 0.000 0.815 273 E CB 1.387 31.096 29.700 0.015 0.000 1.119 273 E HN 0.413 nan 8.360 nan 0.000 0.393 274 E N 2.600 122.831 120.200 0.052 0.000 2.384 274 E HA -0.023 4.319 4.350 -0.013 0.000 0.266 274 E C -0.708 176.024 176.600 0.221 0.000 1.012 274 E CA 0.361 56.814 56.400 0.088 0.000 0.901 274 E CB 0.650 30.447 29.700 0.161 0.000 0.967 274 E HN 0.435 nan 8.360 nan 0.000 0.435 275 E N 4.166 124.530 120.200 0.272 0.000 2.372 275 E HA 0.234 4.576 4.350 -0.013 0.000 0.279 275 E C -1.836 175.060 176.600 0.493 0.000 0.946 275 E CA -0.746 55.902 56.400 0.413 0.000 0.769 275 E CB 1.148 31.072 29.700 0.374 0.000 1.230 275 E HN 0.461 nan 8.360 nan 0.000 0.442 276 L N 3.590 125.072 121.223 0.431 0.000 2.295 276 L HA 0.731 5.063 4.340 -0.013 0.000 0.281 276 L C -1.035 175.996 176.870 0.270 0.000 1.018 276 L CA -0.194 54.844 54.840 0.332 0.000 0.841 276 L CB 0.698 42.974 42.059 0.362 0.000 1.218 276 L HN 0.714 nan 8.230 nan 0.000 0.424 277 A N 3.416 126.327 122.820 0.151 0.000 2.320 277 A HA 0.806 5.118 4.320 -0.013 0.000 0.334 277 A C -0.439 177.075 177.584 -0.117 0.000 1.147 277 A CA -0.447 51.607 52.037 0.028 0.000 0.820 277 A CB 1.846 20.822 19.000 -0.040 0.000 1.218 277 A HN 0.619 nan 8.150 nan 0.000 0.482 278 T N 1.447 115.883 114.554 -0.197 0.000 3.159 278 T HA 0.567 4.909 4.350 -0.013 0.000 0.343 278 T C -3.140 171.379 174.700 -0.300 0.000 1.364 278 T CA -0.895 60.954 62.100 -0.419 0.000 1.102 278 T CB 1.458 69.847 68.868 -0.798 0.000 1.263 278 T HN 0.335 nan 8.240 nan 0.000 0.477 279 P HA 0.209 nan 4.420 nan 0.000 0.266 279 P C -2.508 174.660 177.300 -0.218 0.000 1.193 279 P CA -0.725 62.247 63.100 -0.213 0.000 0.770 279 P CB 0.041 31.653 31.700 -0.146 0.000 0.836 280 P HA 0.165 nan 4.420 nan 0.000 0.279 280 P C -0.514 176.705 177.300 -0.135 0.000 1.252 280 P CA -0.270 62.707 63.100 -0.206 0.000 0.811 280 P CB 0.784 32.301 31.700 -0.306 0.000 1.035 281 L N 2.275 123.437 121.223 -0.102 0.000 2.376 281 L HA 0.087 4.420 4.340 -0.013 0.000 0.250 281 L C 0.943 177.775 176.870 -0.064 0.000 1.335 281 L CA 0.110 54.902 54.840 -0.080 0.000 1.214 281 L CB -0.976 41.045 42.059 -0.063 0.000 1.395 281 L HN 0.382 nan 8.230 nan 0.000 0.424 282 D N -0.034 120.331 120.400 -0.057 0.000 2.395 282 D HA 0.147 4.779 4.640 -0.013 0.000 0.226 282 D C 1.258 177.514 176.300 -0.073 0.000 1.146 282 D CA 0.340 54.321 54.000 -0.032 0.000 0.830 282 D CB 0.847 41.679 40.800 0.053 0.000 0.958 282 D HN 0.493 nan 8.370 nan 0.000 0.501 283 G N 1.280 110.026 108.800 -0.090 0.000 2.259 283 G HA2 -0.281 3.671 3.960 -0.013 0.000 0.217 283 G HA3 -0.281 3.671 3.960 -0.013 0.000 0.217 283 G C 0.810 175.623 174.900 -0.145 0.000 1.001 283 G CA 0.090 45.129 45.100 -0.102 0.000 0.627 283 G HN 0.565 nan 8.290 nan 0.000 0.501 284 I N -1.184 119.263 120.570 -0.206 0.000 3.976 284 I HA 0.664 4.827 4.170 -0.013 0.000 0.337 284 I C 0.082 176.078 176.117 -0.202 0.000 1.359 284 I CA -0.406 60.739 61.300 -0.258 0.000 1.098 284 I CB 0.258 37.970 38.000 -0.480 0.000 1.027 284 I HN -0.005 nan 8.210 nan 0.000 0.394 285 I N 1.680 122.159 120.570 -0.151 0.000 2.530 285 I HA 0.374 4.536 4.170 -0.013 0.000 0.297 285 I C -0.589 175.472 176.117 -0.094 0.000 1.011 285 I CA -0.641 60.585 61.300 -0.123 0.000 1.107 285 I CB 2.221 40.150 38.000 -0.119 0.000 1.285 285 I HN 0.089 nan 8.210 nan 0.000 0.436 286 L N 8.000 129.179 121.223 -0.074 0.000 2.281 286 L HA 0.516 4.848 4.340 -0.013 0.000 0.285 286 L C -2.042 174.808 176.870 -0.033 0.000 1.074 286 L CA -1.527 53.286 54.840 -0.045 0.000 0.817 286 L CB 1.024 43.074 42.059 -0.015 0.000 1.168 286 L HN 0.399 nan 8.230 nan 0.000 0.434 287 P HA 0.082 nan 4.420 nan 0.000 0.266 287 P C -0.035 177.262 177.300 -0.006 0.000 1.419 287 P CA -0.058 63.028 63.100 -0.024 0.000 1.112 287 P CB 0.230 31.912 31.700 -0.030 0.000 1.438 288 G N 2.205 111.015 108.800 0.017 0.000 2.467 288 G HA2 0.218 4.170 3.960 -0.013 0.000 0.257 288 G HA3 0.218 4.170 3.960 -0.013 0.000 0.257 288 G C 1.172 176.095 174.900 0.038 0.000 1.227 288 G CA -0.624 44.503 45.100 0.045 0.000 0.835 288 G HN 0.200 nan 8.290 nan 0.000 0.556 289 V N 1.779 121.711 119.914 0.031 0.000 2.407 289 V HA -0.168 3.944 4.120 -0.013 0.000 0.248 289 V C 3.021 179.125 176.094 0.015 0.000 1.055 289 V CA 2.409 64.698 62.300 -0.019 0.000 1.049 289 V CB -0.820 30.996 31.823 -0.011 0.000 0.662 289 V HN 0.788 nan 8.190 nan 0.000 0.455 290 T N -0.350 114.270 114.554 0.110 0.000 2.867 290 T HA -0.179 4.163 4.350 -0.013 0.000 0.268 290 T C 1.986 176.783 174.700 0.162 0.000 1.057 290 T CA 1.485 63.673 62.100 0.146 0.000 1.136 290 T CB -0.205 68.770 68.868 0.178 0.000 0.874 290 T HN 0.438 nan 8.240 nan 0.000 0.466 291 R N 1.070 121.695 120.500 0.208 0.000 2.070 291 R HA -0.109 4.223 4.340 -0.013 0.000 0.232 291 R C 2.574 179.008 176.300 0.223 0.000 1.138 291 R CA 1.558 57.862 56.100 0.341 0.000 0.936 291 R CB -0.182 30.241 30.300 0.205 0.000 0.839 291 R HN 0.112 nan 8.270 nan 0.000 0.429 292 R N 0.669 121.220 120.500 0.085 0.000 2.115 292 R HA -0.186 4.146 4.340 -0.013 0.000 0.239 292 R C 2.249 178.555 176.300 0.010 0.000 1.133 292 R CA 2.568 58.681 56.100 0.023 0.000 0.935 292 R CB -1.211 29.045 30.300 -0.072 0.000 0.853 292 R HN 0.433 nan 8.270 nan 0.000 0.433 293 C N -0.132 119.109 119.300 -0.098 0.000 2.413 293 C HA -0.074 4.378 4.460 -0.013 0.000 0.276 293 C C 2.623 177.679 174.990 0.110 0.000 1.236 293 C CA 1.002 59.959 59.018 -0.102 0.000 1.735 293 C CB -1.034 26.536 27.740 -0.283 0.000 2.031 293 C HN 0.565 nan 8.230 nan 0.000 0.474 294 I N 0.432 121.023 120.570 0.035 0.000 2.361 294 I HA -0.210 3.953 4.170 -0.013 0.000 0.251 294 I C 2.327 178.383 176.117 -0.101 0.000 1.133 294 I CA 1.412 62.659 61.300 -0.088 0.000 1.413 294 I CB -0.345 37.460 38.000 -0.324 0.000 1.073 294 I HN 0.375 nan 8.210 nan 0.000 0.424 295 L N -0.075 121.165 121.223 0.029 0.000 2.131 295 L HA -0.163 4.169 4.340 -0.013 0.000 0.206 295 L C 2.071 178.937 176.870 -0.006 0.000 1.087 295 L CA 1.016 55.862 54.840 0.009 0.000 0.767 295 L CB -0.510 41.631 42.059 0.136 0.000 0.917 295 L HN 0.210 nan 8.230 nan 0.000 0.441 296 D N 0.110 120.563 120.400 0.089 0.000 2.117 296 D HA -0.130 4.503 4.640 -0.013 0.000 0.198 296 D C 2.408 178.641 176.300 -0.112 0.000 0.982 296 D CA 1.077 55.147 54.000 0.115 0.000 0.828 296 D CB -0.090 40.883 40.800 0.287 0.000 0.967 296 D HN 0.222 nan 8.370 nan 0.000 0.464 297 L N 0.788 121.859 121.223 -0.254 0.000 1.994 297 L HA -0.177 4.156 4.340 -0.013 0.000 0.208 297 L C 2.600 178.724 176.870 -1.243 0.000 1.071 297 L CA 1.288 55.622 54.840 -0.844 0.000 0.745 297 L CB -0.552 40.976 42.059 -0.885 0.000 0.892 297 L HN -0.016 nan 8.230 nan 0.000 0.431 298 A N -0.804 121.542 122.820 -0.790 0.000 1.883 298 A HA -0.258 4.054 4.320 -0.013 0.000 0.217 298 A C 2.127 179.470 177.584 -0.402 0.000 1.186 298 A CA 1.682 53.409 52.037 -0.517 0.000 0.624 298 A CB -0.864 17.992 19.000 -0.240 0.000 0.822 298 A HN 0.441 nan 8.150 nan 0.000 0.444 299 H N -0.900 118.029 119.070 -0.235 0.000 2.387 299 H HA -0.118 4.430 4.556 -0.013 0.000 0.299 299 H C 2.196 177.420 175.328 -0.173 0.000 1.090 299 H CA 1.714 57.671 56.048 -0.152 0.000 1.332 299 H CB -0.263 29.447 29.762 -0.087 0.000 1.386 299 H HN 0.759 nan 8.280 nan 0.000 0.516 300 Q N -0.017 119.695 119.800 -0.147 0.000 2.046 300 Q HA -0.143 4.190 4.340 -0.013 0.000 0.200 300 Q C 1.905 177.874 176.000 -0.052 0.000 0.975 300 Q CA 1.164 56.876 55.803 -0.152 0.000 0.836 300 Q CB 0.025 28.604 28.738 -0.265 0.000 0.896 300 Q HN 0.411 nan 8.270 nan 0.000 0.428 301 W N -0.028 121.215 121.300 -0.095 0.000 2.402 301 W HA 0.119 4.772 4.660 -0.012 0.000 0.286 301 W C 1.345 177.771 176.519 -0.156 0.000 1.221 301 W CA 1.177 58.446 57.345 -0.126 0.000 1.257 301 W CB -1.083 28.279 29.460 -0.163 0.000 1.120 301 W HN 0.451 nan 8.180 nan 0.000 0.551 302 G N 1.132 109.931 108.800 -0.001 0.000 2.356 302 G HA2 -0.352 3.600 3.960 -0.013 0.000 0.296 302 G HA3 -0.352 3.600 3.960 -0.013 0.000 0.296 302 G C 0.758 175.608 174.900 -0.083 0.000 1.022 302 G CA 0.751 45.818 45.100 -0.056 0.000 0.961 302 G HN 0.430 nan 8.290 nan 0.000 0.510 303 E N -1.525 118.533 120.200 -0.237 0.000 2.400 303 E HA 0.339 4.682 4.350 -0.013 0.000 0.195 303 E C 0.696 177.322 176.600 0.043 0.000 1.012 303 E CA 0.791 57.132 56.400 -0.098 0.000 0.875 303 E CB 0.214 29.916 29.700 0.004 0.000 0.859 303 E HN 0.811 nan 8.360 nan 0.000 0.498 304 F N -1.615 118.436 119.950 0.169 0.000 2.779 304 F HA 0.409 4.928 4.527 -0.013 0.000 0.316 304 F C -0.796 175.095 175.800 0.152 0.000 1.164 304 F CA -1.694 56.408 58.000 0.170 0.000 0.924 304 F CB 0.734 39.879 39.000 0.241 0.000 1.348 304 F HN -0.467 nan 8.300 nan 0.000 0.467 305 K N 1.189 121.835 120.400 0.411 0.000 2.350 305 K HA 0.569 4.882 4.320 -0.013 0.000 0.279 305 K C -1.450 175.358 176.600 0.346 0.000 1.027 305 K CA -0.334 56.126 56.287 0.289 0.000 0.969 305 K CB 0.897 33.534 32.500 0.229 0.000 0.954 305 K HN 0.609 nan 8.250 nan 0.000 0.474 306 V N 3.638 123.678 119.914 0.209 0.000 2.357 306 V HA 0.262 4.374 4.120 -0.013 0.000 0.284 306 V C -0.878 175.304 176.094 0.147 0.000 1.018 306 V CA -0.646 61.727 62.300 0.121 0.000 0.841 306 V CB 1.425 33.082 31.823 -0.277 0.000 0.991 306 V HN 0.781 nan 8.190 nan 0.000 0.437 307 S N 3.851 119.642 115.700 0.150 0.000 2.594 307 S HA 0.454 4.916 4.470 -0.013 0.000 0.296 307 S C -0.553 174.078 174.600 0.052 0.000 1.124 307 S CA -0.809 57.461 58.200 0.115 0.000 1.011 307 S CB 1.600 64.879 63.200 0.133 0.000 1.016 307 S HN 0.767 nan 8.310 nan 0.000 0.485 308 E N 2.744 122.951 120.200 0.011 0.000 2.001 308 E HA 0.419 4.762 4.350 -0.013 0.000 0.279 308 E C 0.072 176.584 176.600 -0.146 0.000 1.045 308 E CA -0.438 55.919 56.400 -0.071 0.000 0.833 308 E CB 0.594 30.259 29.700 -0.057 0.000 1.077 308 E HN 0.565 nan 8.360 nan 0.000 0.397 309 R N 1.151 121.539 120.500 -0.187 0.000 2.810 309 R HA 0.382 4.714 4.340 -0.013 0.000 0.266 309 R C -1.275 174.838 176.300 -0.311 0.000 1.061 309 R CA -0.886 55.046 56.100 -0.280 0.000 0.943 309 R CB 0.517 30.766 30.300 -0.085 0.000 1.237 309 R HN 0.185 nan 8.270 nan 0.000 0.459 310 Y N 0.745 121.042 120.300 -0.006 0.000 2.359 310 Y HA 0.413 4.956 4.550 -0.013 0.000 0.334 310 Y C -0.054 175.838 175.900 -0.013 0.000 1.058 310 Y CA -0.557 57.532 58.100 -0.018 0.000 1.244 310 Y CB 1.023 39.480 38.460 -0.004 0.000 1.187 310 Y HN 0.094 nan 8.280 nan 0.000 0.510 311 L N 4.261 125.548 121.223 0.106 0.000 2.356 311 L HA 0.534 4.866 4.340 -0.013 0.000 0.277 311 L C -0.034 176.840 176.870 0.006 0.000 0.996 311 L CA -0.722 54.117 54.840 -0.001 0.000 0.822 311 L CB 2.008 43.976 42.059 -0.152 0.000 1.256 311 L HN 0.659 nan 8.230 nan 0.000 0.413 312 T N -1.073 113.490 114.554 0.014 0.000 2.940 312 T HA 0.386 4.728 4.350 -0.013 0.000 0.288 312 T C 1.093 175.773 174.700 -0.033 0.000 1.045 312 T CA -0.923 61.181 62.100 0.008 0.000 1.018 312 T CB 1.635 70.527 68.868 0.040 0.000 1.151 312 T HN 0.361 nan 8.240 nan 0.000 0.529 313 M N 0.817 120.378 119.600 -0.065 0.000 2.159 313 M HA -0.044 4.428 4.480 -0.013 0.000 0.263 313 M C 1.397 177.682 176.300 -0.026 0.000 1.063 313 M CA 1.544 56.750 55.300 -0.156 0.000 1.110 313 M CB -1.514 30.851 32.600 -0.392 0.000 1.374 313 M HN 0.695 nan 8.290 nan 0.000 0.411 314 D N 0.655 121.084 120.400 0.049 0.000 2.144 314 D HA -0.138 4.495 4.640 -0.013 0.000 0.199 314 D C 1.612 177.969 176.300 0.095 0.000 0.984 314 D CA 1.034 55.084 54.000 0.083 0.000 0.834 314 D CB -0.238 40.616 40.800 0.090 0.000 0.955 314 D HN 0.314 nan 8.370 nan 0.000 0.465 315 D N -0.122 120.343 120.400 0.108 0.000 2.144 315 D HA -0.103 4.530 4.640 -0.013 0.000 0.200 315 D C 2.122 178.569 176.300 0.245 0.000 0.978 315 D CA 0.298 54.423 54.000 0.207 0.000 0.833 315 D CB -0.167 40.785 40.800 0.252 0.000 0.961 315 D HN 0.153 nan 8.370 nan 0.000 0.470 316 L N 1.059 122.333 121.223 0.085 0.000 2.005 316 L HA -0.142 4.191 4.340 -0.013 0.000 0.207 316 L C 2.505 179.424 176.870 0.082 0.000 1.072 316 L CA 2.034 56.896 54.840 0.037 0.000 0.744 316 L CB -1.173 40.832 42.059 -0.090 0.000 0.895 316 L HN 0.107 nan 8.230 nan 0.000 0.433 317 T N -4.400 110.189 114.554 0.060 0.000 2.652 317 T HA -0.221 4.121 4.350 -0.013 0.000 0.267 317 T C 1.825 176.576 174.700 0.086 0.000 1.039 317 T CA 2.012 64.154 62.100 0.071 0.000 1.153 317 T CB -1.402 67.514 68.868 0.081 0.000 0.863 317 T HN 0.353 nan 8.240 nan 0.000 0.428 318 T N 2.301 116.912 114.554 0.095 0.000 2.699 318 T HA -0.058 4.284 4.350 -0.013 0.000 0.268 318 T C 2.435 177.189 174.700 0.088 0.000 1.036 318 T CA 1.598 63.747 62.100 0.083 0.000 1.147 318 T CB -0.917 67.999 68.868 0.081 0.000 0.862 318 T HN 0.636 nan 8.240 nan 0.000 0.446 319 A N 1.003 123.916 122.820 0.154 0.000 1.873 319 A HA 0.041 4.353 4.320 -0.013 0.000 0.215 319 A C 2.350 180.007 177.584 0.122 0.000 1.186 319 A CA 1.140 53.281 52.037 0.173 0.000 0.616 319 A CB -0.851 18.422 19.000 0.455 0.000 0.823 319 A HN 0.464 nan 8.150 nan 0.000 0.442 320 L N 0.157 121.449 121.223 0.115 0.000 2.012 320 L HA -0.180 4.152 4.340 -0.013 0.000 0.210 320 L C 1.671 178.577 176.870 0.060 0.000 1.073 320 L CA 1.601 56.489 54.840 0.079 0.000 0.748 320 L CB -0.587 41.510 42.059 0.064 0.000 0.891 320 L HN 0.686 nan 8.230 nan 0.000 0.431 321 E N -0.000 120.234 120.200 0.056 0.000 2.515 321 E HA 0.183 4.526 4.350 -0.013 0.000 0.315 321 E C 0.738 177.357 176.600 0.031 0.000 1.523 321 E CA 0.405 56.830 56.400 0.042 0.000 1.704 321 E CB 0.022 29.746 29.700 0.041 0.000 1.395 321 E HN 0.346 nan 8.360 nan 0.000 0.490 322 G N 1.790 110.607 108.800 0.028 0.000 4.211 322 G HA2 -0.071 3.882 3.960 -0.013 0.000 0.192 322 G HA3 -0.071 3.882 3.960 -0.013 0.000 0.192 322 G C 0.062 174.965 174.900 0.005 0.000 0.951 322 G CA -0.298 44.809 45.100 0.010 0.000 0.804 322 G HN 0.419 nan 8.290 nan 0.000 0.489 323 N N -0.413 118.299 118.700 0.019 0.000 2.747 323 N HA -0.185 4.548 4.740 -0.013 0.000 0.249 323 N C 1.277 176.788 175.510 0.002 0.000 1.107 323 N CA 0.595 53.654 53.050 0.015 0.000 0.707 323 N CB -0.377 38.113 38.487 0.006 0.000 1.054 323 N HN 0.385 nan 8.380 nan 0.000 0.555 324 R N -0.168 120.341 120.500 0.016 0.000 2.312 324 R HA 0.161 4.494 4.340 -0.013 0.000 0.205 324 R C 0.053 176.402 176.300 0.082 0.000 0.904 324 R CA 0.195 56.292 56.100 -0.004 0.000 1.052 324 R CB 0.751 31.011 30.300 -0.067 0.000 1.014 324 R HN -0.003 nan 8.270 nan 0.000 0.503 325 V N 1.521 121.506 119.914 0.118 0.000 2.465 325 V HA 0.176 4.289 4.120 -0.013 0.000 0.279 325 V C 0.926 177.038 176.094 0.030 0.000 1.045 325 V CA -0.285 62.097 62.300 0.137 0.000 0.938 325 V CB 1.682 33.568 31.823 0.105 0.000 0.986 325 V HN 0.194 nan 8.190 nan 0.000 0.467 326 R N 2.400 122.891 120.500 -0.015 0.000 2.098 326 R HA 0.380 4.712 4.340 -0.013 0.000 0.203 326 R C 0.050 176.373 176.300 0.037 0.000 1.166 326 R CA 0.424 56.479 56.100 -0.076 0.000 1.090 326 R CB 0.563 30.643 30.300 -0.367 0.000 0.992 326 R HN 0.763 nan 8.270 nan 0.000 0.477 327 E N -0.336 119.935 120.200 0.118 0.000 2.413 327 E HA 0.454 4.797 4.350 -0.013 0.000 0.277 327 E C -1.315 175.375 176.600 0.150 0.000 0.958 327 E CA -0.465 56.046 56.400 0.185 0.000 0.779 327 E CB 3.055 32.964 29.700 0.347 0.000 1.278 327 E HN -0.116 nan 8.360 nan 0.000 0.456 328 M N 2.768 122.445 119.600 0.127 0.000 2.378 328 M HA 0.619 5.091 4.480 -0.013 0.000 0.289 328 M C -2.063 174.307 176.300 0.116 0.000 1.136 328 M CA -0.616 54.675 55.300 -0.014 0.000 0.917 328 M CB 1.477 34.027 32.600 -0.084 0.000 1.669 328 M HN 0.634 nan 8.290 nan 0.000 0.461 329 F N 1.334 121.289 119.950 0.008 0.000 2.703 329 F HA 0.840 5.360 4.527 -0.013 0.000 0.308 329 F C -0.821 175.038 175.800 0.097 0.000 1.126 329 F CA -0.914 57.083 58.000 -0.005 0.000 0.959 329 F CB 0.575 39.528 39.000 -0.080 0.000 1.297 329 F HN 0.560 nan 8.300 nan 0.000 0.441 330 G N 0.491 109.451 108.800 0.267 0.000 2.410 330 G HA2 0.587 4.540 3.960 -0.013 0.000 0.330 330 G HA3 0.587 4.540 3.960 -0.013 0.000 0.330 330 G C -1.266 173.848 174.900 0.357 0.000 1.142 330 G CA -0.519 44.725 45.100 0.240 0.000 0.902 330 G HN 1.121 nan 8.290 nan 0.000 0.491 331 S N -0.381 115.527 115.700 0.347 0.000 2.536 331 S HA 0.946 5.408 4.470 -0.013 0.000 0.298 331 S C -0.071 174.661 174.600 0.220 0.000 1.083 331 S CA -0.158 58.240 58.200 0.329 0.000 0.995 331 S CB 2.202 65.671 63.200 0.449 0.000 1.058 331 S HN 1.856 nan 8.310 nan 0.000 0.488 332 G N 0.235 109.142 108.800 0.178 0.000 2.451 332 G HA2 0.435 4.388 3.960 -0.013 0.000 0.292 332 G HA3 0.435 4.388 3.960 -0.013 0.000 0.292 332 G C 0.032 175.015 174.900 0.137 0.000 1.427 332 G CA -0.191 44.987 45.100 0.130 0.000 0.792 332 G HN 0.562 nan 8.290 nan 0.000 0.498 333 T N 0.861 115.506 114.554 0.153 0.000 2.857 333 T HA 0.067 4.410 4.350 -0.013 0.000 0.266 333 T C 2.703 177.534 174.700 0.218 0.000 1.048 333 T CA 2.401 64.633 62.100 0.220 0.000 1.139 333 T CB -0.262 68.787 68.868 0.302 0.000 0.874 333 T HN 0.906 nan 8.240 nan 0.000 0.455 334 A N 0.284 123.167 122.820 0.104 0.000 1.930 334 A HA -0.055 4.257 4.320 -0.013 0.000 0.217 334 A C 2.444 180.115 177.584 0.144 0.000 1.175 334 A CA 1.297 53.382 52.037 0.081 0.000 0.627 334 A CB -0.828 17.916 19.000 -0.427 0.000 0.815 334 A HN 0.642 nan 8.150 nan 0.000 0.443 335 C N -2.734 116.632 119.300 0.110 0.000 2.791 335 C HA 0.361 4.813 4.460 -0.013 0.000 0.288 335 C C 1.876 176.994 174.990 0.213 0.000 1.271 335 C CA 0.269 59.417 59.018 0.217 0.000 1.726 335 C CB -0.117 27.774 27.740 0.252 0.000 2.145 335 C HN 0.534 nan 8.230 nan 0.000 0.572 336 V N -0.645 119.375 119.914 0.176 0.000 0.550 336 V HA -0.262 3.850 4.120 -0.013 0.000 0.092 336 V C 0.181 176.377 176.094 0.170 0.000 2.065 336 V CA 1.901 64.294 62.300 0.155 0.000 3.496 336 V CB -1.593 30.311 31.823 0.135 0.000 0.788 336 V HN 0.292 nan 8.190 nan 0.000 0.820 337 V N -1.057 118.978 119.914 0.201 0.000 2.851 337 V HA 0.689 4.801 4.120 -0.013 0.000 0.307 337 V C -0.831 175.342 176.094 0.132 0.000 1.129 337 V CA 0.062 62.455 62.300 0.155 0.000 0.932 337 V CB 1.847 33.684 31.823 0.023 0.000 1.024 337 V HN 0.768 nan 8.190 nan 0.000 0.426 338 C N 7.324 126.674 119.300 0.082 0.000 2.383 338 C HA 0.680 5.132 4.460 -0.013 0.000 0.330 338 C C -2.861 172.089 174.990 -0.068 0.000 1.168 338 C CA -1.806 57.215 59.018 0.006 0.000 1.374 338 C CB 1.434 29.239 27.740 0.109 0.000 2.014 338 C HN 0.744 nan 8.230 nan 0.000 0.439 339 P HA 0.233 nan 4.420 nan 0.000 0.271 339 P C -0.871 176.375 177.300 -0.090 0.000 1.216 339 P CA 0.038 63.016 63.100 -0.204 0.000 0.776 339 P CB 0.689 32.169 31.700 -0.366 0.000 0.881 340 V N 2.684 122.573 119.914 -0.040 0.000 2.398 340 V HA 0.239 4.352 4.120 -0.013 0.000 0.286 340 V C 1.050 177.094 176.094 -0.083 0.000 1.026 340 V CA 0.185 62.455 62.300 -0.050 0.000 0.868 340 V CB 1.352 33.152 31.823 -0.039 0.000 0.982 340 V HN 0.697 nan 8.190 nan 0.000 0.443 341 S N 1.286 116.932 115.700 -0.090 0.000 2.559 341 S HA 0.343 4.806 4.470 -0.013 0.000 0.226 341 S C 0.111 174.589 174.600 -0.202 0.000 1.030 341 S CA -0.317 57.786 58.200 -0.162 0.000 0.956 341 S CB 0.429 63.597 63.200 -0.053 0.000 0.900 341 S HN 0.710 nan 8.310 nan 0.000 0.510 342 D N 0.355 120.710 120.400 -0.075 0.000 2.623 342 D HA 0.487 5.120 4.640 -0.013 0.000 0.241 342 D C -1.519 174.783 176.300 0.003 0.000 1.241 342 D CA -0.388 53.603 54.000 -0.015 0.000 0.788 342 D CB 2.052 42.896 40.800 0.074 0.000 1.413 342 D HN 0.145 nan 8.370 nan 0.000 0.429 343 I N 1.384 121.965 120.570 0.017 0.000 2.548 343 I HA 0.178 4.340 4.170 -0.013 0.000 0.287 343 I C -1.065 175.084 176.117 0.054 0.000 1.103 343 I CA -0.696 60.612 61.300 0.013 0.000 1.049 343 I CB 2.066 40.035 38.000 -0.052 0.000 1.232 343 I HN 0.036 nan 8.210 nan 0.000 0.429 344 L N 7.370 128.645 121.223 0.087 0.000 2.295 344 L HA 0.315 4.648 4.340 -0.013 0.000 0.288 344 L C -0.954 175.890 176.870 -0.044 0.000 1.079 344 L CA -0.012 54.885 54.840 0.096 0.000 0.830 344 L CB 0.015 42.258 42.059 0.308 0.000 1.200 344 L HN 0.369 nan 8.230 nan 0.000 0.438 345 Y N 3.452 123.641 120.300 -0.185 0.000 2.386 345 Y HA 0.336 4.878 4.550 -0.013 0.000 0.334 345 Y C 0.097 175.878 175.900 -0.199 0.000 1.002 345 Y CA -1.787 56.160 58.100 -0.254 0.000 1.068 345 Y CB 1.089 39.432 38.460 -0.194 0.000 1.203 345 Y HN 0.574 nan 8.280 nan 0.000 0.443 346 K N 4.709 124.760 120.400 -0.583 0.000 3.257 346 K HA -0.208 4.105 4.320 -0.013 0.000 0.270 346 K C 0.942 177.393 176.600 -0.249 0.000 0.984 346 K CA 0.957 56.942 56.287 -0.505 0.000 0.739 346 K CB -1.521 30.561 32.500 -0.696 0.000 1.351 346 K HN 1.356 nan 8.250 nan 0.000 0.463 347 G N 0.100 108.805 108.800 -0.157 0.000 2.205 347 G HA2 -0.400 3.552 3.960 -0.013 0.000 0.269 347 G HA3 -0.400 3.552 3.960 -0.013 0.000 0.269 347 G C -0.030 174.860 174.900 -0.017 0.000 0.977 347 G CA 1.067 46.139 45.100 -0.047 0.000 0.652 347 G HN 0.628 nan 8.290 nan 0.000 0.539 348 E N 0.266 120.444 120.200 -0.037 0.000 2.191 348 E HA 0.583 4.925 4.350 -0.013 0.000 0.274 348 E C -0.559 176.068 176.600 0.045 0.000 0.948 348 E CA -0.485 55.917 56.400 0.004 0.000 0.802 348 E CB 1.021 30.714 29.700 -0.012 0.000 1.137 348 E HN 0.054 nan 8.360 nan 0.000 0.397 349 T N 4.800 119.390 114.554 0.061 0.000 2.744 349 T HA 0.394 4.736 4.350 -0.013 0.000 0.291 349 T C -0.037 174.715 174.700 0.086 0.000 0.957 349 T CA -0.343 61.807 62.100 0.083 0.000 1.002 349 T CB 0.138 69.057 68.868 0.086 0.000 0.919 349 T HN 0.342 nan 8.240 nan 0.000 0.468 350 I N 3.741 124.364 120.570 0.088 0.000 2.354 350 I HA 0.233 4.396 4.170 -0.013 0.000 0.286 350 I C 0.596 176.767 176.117 0.089 0.000 1.007 350 I CA -0.832 60.519 61.300 0.084 0.000 1.167 350 I CB 0.777 38.815 38.000 0.062 0.000 1.320 350 I HN 0.586 nan 8.210 nan 0.000 0.458 351 H N 7.284 126.370 119.070 0.026 0.000 2.683 351 H HA 0.328 4.876 4.556 -0.013 0.000 0.339 351 H C -0.892 174.447 175.328 0.018 0.000 1.081 351 H CA -0.275 55.786 56.048 0.022 0.000 1.432 351 H CB 1.287 31.061 29.762 0.021 0.000 1.462 351 H HN 0.341 nan 8.280 nan 0.000 0.557 352 I N 8.014 128.215 120.570 -0.614 0.000 2.355 352 I HA 0.136 4.299 4.170 -0.013 0.000 0.288 352 I C -1.753 174.055 176.117 -0.515 0.000 0.999 352 I CA -2.798 58.275 61.300 -0.378 0.000 1.163 352 I CB 1.414 39.278 38.000 -0.228 0.000 1.316 352 I HN 0.537 nan 8.210 nan 0.000 0.454 353 P HA -0.024 nan 4.420 nan 0.000 0.259 353 P C 1.037 178.335 177.300 -0.003 0.000 1.307 353 P CA 0.451 63.546 63.100 -0.009 0.000 0.768 353 P CB -0.075 31.663 31.700 0.064 0.000 1.199 354 T N 0.196 114.718 114.554 -0.053 0.000 2.685 354 T HA -0.162 4.181 4.350 -0.013 0.000 0.268 354 T C 1.754 176.466 174.700 0.019 0.000 1.034 354 T CA 1.542 63.639 62.100 -0.004 0.000 1.149 354 T CB -0.352 68.501 68.868 -0.025 0.000 0.860 354 T HN 0.090 nan 8.240 nan 0.000 0.449 355 M N 0.768 120.384 119.600 0.026 0.000 2.349 355 M HA 0.105 4.578 4.480 -0.013 0.000 0.266 355 M C 1.439 177.783 176.300 0.074 0.000 1.076 355 M CA 0.996 56.331 55.300 0.059 0.000 1.126 355 M CB -1.017 31.630 32.600 0.077 0.000 1.392 355 M HN 0.157 nan 8.290 nan 0.000 0.440 356 E N 0.765 121.015 120.200 0.084 0.000 2.365 356 E HA 0.054 4.397 4.350 -0.013 0.000 0.188 356 E C -0.011 176.623 176.600 0.057 0.000 1.102 356 E CA 0.120 56.566 56.400 0.076 0.000 0.927 356 E CB -0.294 29.464 29.700 0.096 0.000 1.073 356 E HN 0.299 nan 8.360 nan 0.000 0.467 357 N N -0.425 118.308 118.700 0.056 0.000 2.547 357 N HA 0.206 4.939 4.740 -0.013 0.000 0.285 357 N C 0.357 175.906 175.510 0.064 0.000 1.600 357 N CA 0.538 53.619 53.050 0.052 0.000 0.872 357 N CB 1.394 39.908 38.487 0.045 0.000 1.412 357 N HN 0.218 nan 8.380 nan 0.000 0.489 358 G N 1.630 110.468 108.800 0.063 0.000 3.405 358 G HA2 -0.196 3.757 3.960 -0.013 0.000 0.246 358 G HA3 -0.196 3.757 3.960 -0.013 0.000 0.246 358 G C -2.446 172.510 174.900 0.094 0.000 1.852 358 G CA -0.559 44.584 45.100 0.071 0.000 1.510 358 G HN 0.260 nan 8.290 nan 0.000 0.570 359 P HA 0.466 nan 4.420 nan 0.000 0.281 359 P C 0.697 178.043 177.300 0.075 0.000 1.286 359 P CA 1.080 64.222 63.100 0.069 0.000 0.772 359 P CB 1.212 32.908 31.700 -0.005 0.000 0.862 360 K N 4.032 124.479 120.400 0.079 0.000 2.009 360 K HA -0.131 4.181 4.320 -0.013 0.000 0.210 360 K C 1.923 178.533 176.600 0.018 0.000 1.049 360 K CA 1.488 57.810 56.287 0.059 0.000 0.929 360 K CB -1.384 31.163 32.500 0.080 0.000 0.714 360 K HN 0.476 nan 8.250 nan 0.000 0.440 361 L N -0.347 120.886 121.223 0.016 0.000 2.005 361 L HA -0.091 4.242 4.340 -0.013 0.000 0.207 361 L C 3.017 179.771 176.870 -0.194 0.000 1.072 361 L CA 1.613 56.392 54.840 -0.103 0.000 0.744 361 L CB -0.622 41.287 42.059 -0.250 0.000 0.895 361 L HN 0.506 nan 8.230 nan 0.000 0.433 362 A N -0.472 122.140 122.820 -0.347 0.000 1.884 362 A HA -0.279 4.033 4.320 -0.013 0.000 0.219 362 A C 2.378 179.906 177.584 -0.094 0.000 1.197 362 A CA 2.538 54.212 52.037 -0.605 0.000 0.637 362 A CB -0.946 17.632 19.000 -0.703 0.000 0.827 362 A HN 0.539 nan 8.150 nan 0.000 0.450 363 S N -1.015 114.763 115.700 0.130 0.000 2.368 363 S HA -0.183 4.279 4.470 -0.013 0.000 0.225 363 S C 2.062 176.695 174.600 0.056 0.000 1.030 363 S CA 1.378 59.700 58.200 0.202 0.000 0.999 363 S CB -0.381 62.906 63.200 0.146 0.000 0.844 363 S HN 0.662 nan 8.310 nan 0.000 0.459 364 R N 0.988 121.490 120.500 0.003 0.000 2.091 364 R HA -0.056 4.276 4.340 -0.013 0.000 0.238 364 R C 2.129 178.465 176.300 0.061 0.000 1.136 364 R CA 1.400 57.486 56.100 -0.023 0.000 0.959 364 R CB -0.390 29.839 30.300 -0.118 0.000 0.856 364 R HN 0.391 nan 8.270 nan 0.000 0.437 365 I N 0.659 121.273 120.570 0.075 0.000 2.202 365 I HA -0.282 3.880 4.170 -0.013 0.000 0.242 365 I C 2.340 178.510 176.117 0.088 0.000 1.091 365 I CA 0.680 62.052 61.300 0.120 0.000 1.368 365 I CB -0.307 37.681 38.000 -0.021 0.000 1.058 365 I HN 0.246 nan 8.210 nan 0.000 0.410 366 L N 0.578 121.845 121.223 0.073 0.000 1.989 366 L HA -0.230 4.103 4.340 -0.013 0.000 0.211 366 L C 2.656 179.544 176.870 0.031 0.000 1.071 366 L CA 2.001 56.884 54.840 0.073 0.000 0.749 366 L CB -0.679 41.438 42.059 0.098 0.000 0.890 366 L HN 0.108 nan 8.230 nan 0.000 0.431 367 S N -0.485 115.225 115.700 0.017 0.000 2.359 367 S HA -0.277 4.186 4.470 -0.013 0.000 0.223 367 S C 1.949 176.570 174.600 0.034 0.000 1.039 367 S CA 1.722 59.925 58.200 0.005 0.000 1.042 367 S CB -0.454 62.741 63.200 -0.009 0.000 0.915 367 S HN 0.374 nan 8.310 nan 0.000 0.439 368 K N 1.614 122.060 120.400 0.078 0.000 2.001 368 K HA -0.022 4.290 4.320 -0.013 0.000 0.214 368 K C 1.934 178.592 176.600 0.098 0.000 1.050 368 K CA 1.450 57.811 56.287 0.123 0.000 0.934 368 K CB -0.803 31.846 32.500 0.248 0.000 0.718 368 K HN 0.313 nan 8.250 nan 0.000 0.443 369 L N -0.003 121.271 121.223 0.085 0.000 2.042 369 L HA -0.205 4.127 4.340 -0.013 0.000 0.210 369 L C 2.275 179.051 176.870 -0.156 0.000 1.076 369 L CA 1.885 56.717 54.840 -0.012 0.000 0.749 369 L CB -0.850 41.175 42.059 -0.058 0.000 0.893 369 L HN 0.307 nan 8.230 nan 0.000 0.432 370 T N -1.289 113.219 114.554 -0.077 0.000 2.857 370 T HA -0.134 4.208 4.350 -0.013 0.000 0.266 370 T C 1.432 176.155 174.700 0.038 0.000 1.048 370 T CA 1.181 63.262 62.100 -0.031 0.000 1.139 370 T CB -0.206 68.703 68.868 0.068 0.000 0.874 370 T HN 0.281 nan 8.240 nan 0.000 0.455 371 D N 1.167 121.584 120.400 0.028 0.000 2.117 371 D HA -0.017 4.616 4.640 -0.013 0.000 0.197 371 D C 2.021 178.339 176.300 0.030 0.000 0.987 371 D CA 0.796 54.820 54.000 0.041 0.000 0.829 371 D CB -0.288 40.531 40.800 0.031 0.000 0.961 371 D HN 0.378 nan 8.370 nan 0.000 0.460 372 I N 0.578 121.153 120.570 0.007 0.000 2.286 372 I HA -0.239 3.924 4.170 -0.013 0.000 0.245 372 I C 2.321 178.404 176.117 -0.056 0.000 1.104 372 I CA 0.909 62.227 61.300 0.030 0.000 1.397 372 I CB -0.290 37.798 38.000 0.147 0.000 1.072 372 I HN -0.021 nan 8.210 nan 0.000 0.417 373 Q N 0.036 119.642 119.800 -0.324 0.000 2.124 373 Q HA -0.176 4.156 4.340 -0.013 0.000 0.202 373 Q C 1.090 176.726 176.000 -0.606 0.000 0.977 373 Q CA 1.526 56.878 55.803 -0.751 0.000 0.850 373 Q CB -0.122 27.568 28.738 -1.746 0.000 0.901 373 Q HN 0.560 nan 8.270 nan 0.000 0.429 374 Y N -0.405 119.757 120.300 -0.230 0.000 2.596 374 Y HA 0.232 4.775 4.550 -0.012 0.000 0.316 374 Y C 1.345 177.240 175.900 -0.009 0.000 1.156 374 Y CA 0.127 58.189 58.100 -0.064 0.000 1.300 374 Y CB 0.387 38.819 38.460 -0.045 0.000 1.130 374 Y HN 0.227 nan 8.280 nan 0.000 0.518 375 G N 0.400 109.253 108.800 0.088 0.000 2.196 375 G HA2 -0.409 3.544 3.960 -0.013 0.000 0.268 375 G HA3 -0.409 3.544 3.960 -0.013 0.000 0.268 375 G C 1.509 176.452 174.900 0.071 0.000 0.975 375 G CA 0.775 45.924 45.100 0.082 0.000 0.648 375 G HN 0.481 nan 8.290 nan 0.000 0.538 376 R N 0.283 120.829 120.500 0.076 0.000 2.148 376 R HA 0.067 4.400 4.340 -0.013 0.000 0.227 376 R C 1.102 177.423 176.300 0.035 0.000 1.103 376 R CA 1.275 57.406 56.100 0.051 0.000 0.983 376 R CB 0.139 30.466 30.300 0.045 0.000 0.874 376 R HN 0.615 nan 8.270 nan 0.000 0.451 377 E N 0.917 121.139 120.200 0.036 0.000 2.234 377 E HA 0.088 4.431 4.350 -0.013 0.000 0.266 377 E C -1.162 175.453 176.600 0.025 0.000 0.877 377 E CA -0.413 56.002 56.400 0.024 0.000 0.758 377 E CB 1.569 31.281 29.700 0.021 0.000 1.170 377 E HN -0.093 nan 8.360 nan 0.000 0.415 378 E N 3.723 123.931 120.200 0.014 0.000 2.259 378 E HA 0.291 4.634 4.350 -0.013 0.000 0.281 378 E C -0.746 175.847 176.600 -0.012 0.000 1.027 378 E CA -0.035 56.372 56.400 0.013 0.000 0.838 378 E CB 1.240 30.946 29.700 0.009 0.000 1.066 378 E HN 0.509 nan 8.360 nan 0.000 0.401 379 R N 2.263 122.761 120.500 -0.003 0.000 2.690 379 R HA 0.041 4.373 4.340 -0.013 0.000 0.269 379 R C 0.446 176.744 176.300 -0.003 0.000 1.037 379 R CA -0.359 55.706 56.100 -0.059 0.000 0.877 379 R CB 0.538 30.750 30.300 -0.147 0.000 1.255 379 R HN 0.499 nan 8.270 nan 0.000 0.467 380 D N 1.389 121.762 120.400 -0.044 0.000 2.263 380 D HA -0.169 4.464 4.640 -0.013 0.000 0.208 380 D C 0.719 177.121 176.300 0.171 0.000 0.971 380 D CA 0.719 54.742 54.000 0.038 0.000 0.867 380 D CB 0.040 40.848 40.800 0.014 0.000 0.929 380 D HN 0.476 nan 8.370 nan 0.000 0.492 381 W N 2.473 123.755 121.300 -0.030 0.000 2.747 381 W HA 0.024 4.677 4.660 -0.012 0.000 0.244 381 W C 0.838 177.310 176.519 -0.078 0.000 1.270 381 W CA 0.621 57.897 57.345 -0.115 0.000 1.333 381 W CB -1.091 28.315 29.460 -0.090 0.000 1.139 381 W HN 0.035 nan 8.180 nan 0.000 0.662 382 T N -2.372 112.322 114.554 0.232 0.000 2.916 382 T HA 0.758 5.100 4.350 -0.013 0.000 0.292 382 T C -0.621 174.149 174.700 0.117 0.000 1.064 382 T CA -0.749 61.467 62.100 0.193 0.000 1.011 382 T CB 2.632 71.634 68.868 0.223 0.000 1.152 382 T HN -0.163 nan 8.240 nan 0.000 0.510 383 I N 1.782 122.415 120.570 0.106 0.000 2.466 383 I HA 0.434 4.596 4.170 -0.013 0.000 0.289 383 I C -0.301 175.861 176.117 0.075 0.000 1.026 383 I CA -1.277 60.066 61.300 0.071 0.000 1.078 383 I CB 2.242 40.271 38.000 0.049 0.000 1.249 383 I HN 0.478 nan 8.210 nan 0.000 0.429 384 V N 6.501 126.451 119.914 0.061 0.000 3.170 384 V HA 0.470 4.583 4.120 -0.013 0.000 0.309 384 V C 0.251 176.372 176.094 0.044 0.000 1.071 384 V CA -0.377 61.958 62.300 0.058 0.000 1.063 384 V CB 1.897 33.751 31.823 0.051 0.000 1.123 384 V HN 0.520 nan 8.190 nan 0.000 0.464 385 L N 0.000 121.247 121.223 0.041 0.000 2.949 385 L HA 0.000 4.332 4.340 -0.013 0.000 0.249 385 L CA 0.000 54.858 54.840 0.030 0.000 0.813 385 L CB 0.000 42.075 42.059 0.026 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502