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 2abj_1_G DATA FIRST_RESID 21 DATA SEQUENCE GTFKAKDLIV TPATILKEKP DPNNLVFGTV FTDHMLTVEW SSEFGWEKPH DATA SEQUENCE IKPLQNLSLH PGSSALHYAV ELFEGLKAFR GVDNKIRLFQ PNLNMDRMYR DATA SEQUENCE SAVRATLPVF DKEELLECIQ QLVKLDQEWV PYSTSASLYI RPAFIGTEPS DATA SEQUENCE LGVKKPTKAL LFVLLSPVGP XXXXXXFNPV SLWANPKYVR AWKGGTGDCK DATA SEQUENCE MGGNYGSSLF AQCEDVDNGC QQVLWLYGRD HQITEVGTMN LFLYWINEDG DATA SEQUENCE EEELATPPLD GIILPGVTRR CILDLAHQWG EFKVSERYLT MDDLTTALEG DATA SEQUENCE NRVREMFSSG TACVVCPVSD ILYKGETIHI PTMENGPKLA SRILSKLTDI DATA SEQUENCE QYGREESDWT IVLS 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 21 G HA2 0.000 nan 3.960 nan 0.000 0.244 21 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 21 G C 0.000 175.158 174.900 0.429 0.000 0.946 21 G CA 0.000 45.297 45.100 0.329 0.000 0.502 22 T N 0.622 115.357 114.554 0.302 0.000 2.889 22 T HA 0.557 4.907 4.350 0.000 0.000 0.315 22 T C -0.963 173.727 174.700 -0.017 0.000 1.291 22 T CA -0.660 61.424 62.100 -0.026 0.000 1.028 22 T CB 0.916 69.634 68.868 -0.249 0.000 1.235 22 T HN 0.714 nan 8.240 nan 0.000 0.491 23 F N 1.640 121.461 119.950 -0.215 0.000 2.444 23 F HA 0.769 5.296 4.527 0.000 0.000 0.331 23 F C 0.171 175.918 175.800 -0.089 0.000 1.167 23 F CA -0.632 57.316 58.000 -0.087 0.000 1.262 23 F CB 0.332 39.224 39.000 -0.180 0.000 1.196 23 F HN 0.335 nan 8.300 nan 0.000 0.583 24 K N 0.962 121.426 120.400 0.108 0.000 2.378 24 K HA 0.593 4.913 4.320 0.000 0.000 0.252 24 K C 0.283 176.929 176.600 0.077 0.000 0.931 24 K CA -0.639 55.658 56.287 0.018 0.000 0.794 24 K CB 2.079 34.584 32.500 0.010 0.000 1.181 24 K HN 0.736 nan 8.250 nan 0.000 0.425 25 A N 2.381 125.228 122.820 0.044 0.000 2.070 25 A HA -0.166 4.154 4.320 0.000 0.000 0.220 25 A C 1.383 178.976 177.584 0.016 0.000 1.159 25 A CA 1.524 53.586 52.037 0.041 0.000 0.656 25 A CB -0.253 18.760 19.000 0.020 0.000 0.800 25 A HN 0.645 nan 8.150 nan 0.000 0.453 26 K N 0.903 121.310 120.400 0.011 0.000 2.147 26 K HA -0.104 4.216 4.320 0.000 0.000 0.205 26 K C 0.471 177.072 176.600 0.001 0.000 1.049 26 K CA 1.490 57.779 56.287 0.003 0.000 0.936 26 K CB -0.352 32.150 32.500 0.004 0.000 0.722 26 K HN 0.787 nan 8.250 nan 0.000 0.446 27 D N -0.351 120.055 120.400 0.010 0.000 2.587 27 D HA 0.062 4.702 4.640 0.000 0.000 0.233 27 D C -0.451 175.828 176.300 -0.035 0.000 1.213 27 D CA -0.498 53.500 54.000 -0.003 0.000 0.827 27 D CB -0.164 40.646 40.800 0.016 0.000 1.006 27 D HN -0.142 nan 8.370 nan 0.000 0.490 28 L N 1.026 122.225 121.223 -0.039 0.000 2.499 28 L HA 0.221 4.561 4.340 0.000 0.000 0.273 28 L C -0.350 176.442 176.870 -0.130 0.000 1.195 28 L CA 0.136 54.929 54.840 -0.079 0.000 0.882 28 L CB 0.192 42.222 42.059 -0.048 0.000 1.133 28 L HN 0.185 nan 8.230 nan 0.000 0.483 29 I N 5.604 126.026 120.570 -0.247 0.000 2.330 29 I HA 0.273 4.443 4.170 0.000 0.000 0.289 29 I C -0.552 175.469 176.117 -0.160 0.000 1.001 29 I CA -0.528 60.617 61.300 -0.258 0.000 1.193 29 I CB 1.357 39.072 38.000 -0.476 0.000 1.345 29 I HN 0.170 nan 8.210 nan 0.000 0.461 30 V N 5.280 125.146 119.914 -0.080 0.000 2.347 30 V HA 0.337 4.457 4.120 0.000 0.000 0.280 30 V C 0.112 176.199 176.094 -0.011 0.000 1.021 30 V CA -0.375 61.895 62.300 -0.050 0.000 0.847 30 V CB 1.347 33.130 31.823 -0.067 0.000 0.990 30 V HN 0.710 nan 8.190 nan 0.000 0.444 31 T N 7.270 121.841 114.554 0.029 0.000 3.053 31 T HA 0.363 4.713 4.350 0.000 0.000 0.363 31 T C -2.584 172.174 174.700 0.097 0.000 1.239 31 T CA -1.171 60.967 62.100 0.063 0.000 1.071 31 T CB 1.108 70.033 68.868 0.094 0.000 1.089 31 T HN 0.404 nan 8.240 nan 0.000 0.527 32 P HA 0.360 nan 4.420 nan 0.000 0.271 32 P C -0.386 177.074 177.300 0.268 0.000 1.218 32 P CA -0.476 62.739 63.100 0.192 0.000 0.780 32 P CB 0.475 32.231 31.700 0.095 0.000 0.901 33 A N 1.824 124.892 122.820 0.413 0.000 2.425 33 A HA 0.310 4.630 4.320 0.000 0.000 0.249 33 A C 1.408 179.060 177.584 0.112 0.000 1.084 33 A CA 0.411 52.525 52.037 0.128 0.000 0.781 33 A CB -0.444 18.516 19.000 -0.066 0.000 1.019 33 A HN 0.664 nan 8.150 nan 0.000 0.490 34 T N 0.028 114.621 114.554 0.066 0.000 3.031 34 T HA 0.220 4.570 4.350 0.000 0.000 0.254 34 T C 0.449 175.177 174.700 0.047 0.000 1.060 34 T CA 0.687 62.821 62.100 0.056 0.000 1.135 34 T CB -0.336 68.556 68.868 0.040 0.000 0.896 34 T HN 0.396 nan 8.240 nan 0.000 0.472 35 I N 2.433 123.025 120.570 0.037 0.000 2.328 35 I HA 0.394 4.565 4.170 0.000 0.000 0.287 35 I C -0.563 175.581 176.117 0.044 0.000 1.012 35 I CA -0.887 60.434 61.300 0.035 0.000 1.195 35 I CB 1.624 39.639 38.000 0.025 0.000 1.350 35 I HN 0.090 nan 8.210 nan 0.000 0.464 36 L N 6.519 127.779 121.223 0.063 0.000 2.325 36 L HA 0.463 4.803 4.340 0.000 0.000 0.279 36 L C 0.154 177.089 176.870 0.108 0.000 1.054 36 L CA -0.884 54.016 54.840 0.100 0.000 0.804 36 L CB 1.050 43.176 42.059 0.113 0.000 1.200 36 L HN 0.516 nan 8.230 nan 0.000 0.436 37 K N 1.564 122.085 120.400 0.202 0.000 2.185 37 K HA 0.193 4.513 4.320 0.000 0.000 0.271 37 K C -0.303 176.349 176.600 0.087 0.000 1.013 37 K CA -0.558 55.852 56.287 0.206 0.000 0.943 37 K CB 1.173 33.889 32.500 0.360 0.000 0.998 37 K HN 0.465 nan 8.250 nan 0.000 0.468 38 E N 2.211 122.424 120.200 0.023 0.000 2.376 38 E HA -0.030 4.320 4.350 0.000 0.000 0.266 38 E C -0.873 175.621 176.600 -0.177 0.000 1.009 38 E CA -0.229 56.119 56.400 -0.088 0.000 0.902 38 E CB 0.551 30.226 29.700 -0.041 0.000 0.972 38 E HN 0.141 nan 8.360 nan 0.000 0.439 39 K N 4.839 124.991 120.400 -0.413 0.000 2.355 39 K HA 0.173 4.493 4.320 0.000 0.000 0.270 39 K C -2.114 174.403 176.600 -0.139 0.000 1.003 39 K CA -1.035 54.952 56.287 -0.500 0.000 0.957 39 K CB 0.297 32.461 32.500 -0.561 0.000 0.939 39 K HN 0.427 nan 8.250 nan 0.000 0.482 40 P HA 0.054 nan 4.420 nan 0.000 0.276 40 P C -0.872 176.436 177.300 0.013 0.000 1.244 40 P CA -0.462 62.657 63.100 0.031 0.000 0.801 40 P CB 0.636 32.384 31.700 0.080 0.000 1.006 41 D N 2.440 122.847 120.400 0.012 0.000 2.412 41 D HA 0.001 4.641 4.640 0.000 0.000 0.257 41 D C -1.178 175.140 176.300 0.030 0.000 1.217 41 D CA -1.674 52.334 54.000 0.014 0.000 0.897 41 D CB 0.364 41.169 40.800 0.009 0.000 1.132 41 D HN 0.163 nan 8.370 nan 0.000 0.493 42 P HA -0.096 nan 4.420 nan 0.000 0.226 42 P C 0.298 177.625 177.300 0.045 0.000 1.153 42 P CA 0.814 63.948 63.100 0.056 0.000 0.777 42 P CB 0.183 31.930 31.700 0.078 0.000 0.794 43 N N -0.019 118.700 118.700 0.032 0.000 2.396 43 N HA -0.066 4.674 4.740 0.000 0.000 0.180 43 N C 0.321 175.845 175.510 0.024 0.000 1.028 43 N CA 0.657 53.722 53.050 0.024 0.000 0.893 43 N CB -0.329 38.167 38.487 0.015 0.000 0.967 43 N HN 0.241 nan 8.380 nan 0.000 0.440 44 N N -0.126 118.589 118.700 0.025 0.000 2.588 44 N HA 0.226 4.966 4.740 0.000 0.000 0.298 44 N C -1.375 174.150 175.510 0.025 0.000 1.718 44 N CA -0.175 52.888 53.050 0.023 0.000 0.888 44 N CB 0.886 39.383 38.487 0.017 0.000 1.389 44 N HN -0.013 nan 8.380 nan 0.000 0.491 45 L N 0.958 122.199 121.223 0.030 0.000 2.349 45 L HA 0.406 4.746 4.340 0.000 0.000 0.275 45 L C -0.060 176.826 176.870 0.027 0.000 1.115 45 L CA -0.722 54.132 54.840 0.023 0.000 0.820 45 L CB 0.991 43.065 42.059 0.025 0.000 1.135 45 L HN -0.070 nan 8.230 nan 0.000 0.445 46 V N 3.829 123.748 119.914 0.008 0.000 2.370 46 V HA 0.072 4.192 4.120 0.000 0.000 0.279 46 V C 0.833 176.933 176.094 0.010 0.000 1.029 46 V CA -0.460 61.855 62.300 0.027 0.000 0.870 46 V CB 1.079 32.912 31.823 0.017 0.000 0.984 46 V HN 0.685 nan 8.190 nan 0.000 0.451 47 F N 5.008 124.909 119.950 -0.081 0.000 2.174 47 F HA -0.266 4.261 4.527 0.000 0.000 0.296 47 F C 1.802 177.492 175.800 -0.184 0.000 1.182 47 F CA 2.596 60.519 58.000 -0.129 0.000 1.265 47 F CB -0.455 38.460 39.000 -0.141 0.000 0.920 47 F HN 0.559 nan 8.300 nan 0.000 0.548 48 G N -1.747 106.743 108.800 -0.517 0.000 4.644 48 G HA2 0.328 4.288 3.960 0.000 0.000 0.307 48 G HA3 0.328 4.288 3.960 0.000 0.000 0.307 48 G C 0.556 175.174 174.900 -0.470 0.000 1.331 48 G CA 0.393 45.053 45.100 -0.734 0.000 1.059 48 G HN 0.633 nan 8.290 nan 0.000 0.590 49 T N -3.373 110.936 114.554 -0.408 0.000 3.000 49 T HA 0.234 4.584 4.350 0.000 0.000 0.248 49 T C 0.609 175.093 174.700 -0.361 0.000 1.034 49 T CA 0.113 62.062 62.100 -0.253 0.000 1.060 49 T CB 0.537 69.354 68.868 -0.086 0.000 0.983 49 T HN -0.074 nan 8.240 nan 0.000 0.482 50 V N 2.197 121.810 119.914 -0.501 0.000 2.435 50 V HA 0.611 4.731 4.120 0.000 0.000 0.290 50 V C -1.016 174.688 176.094 -0.651 0.000 1.030 50 V CA -1.064 61.026 62.300 -0.349 0.000 0.881 50 V CB 1.036 32.803 31.823 -0.094 0.000 0.983 50 V HN 0.353 nan 8.190 nan 0.000 0.445 51 F N 1.598 121.461 119.950 -0.145 0.000 2.538 51 F HA 0.621 5.148 4.527 0.000 0.000 0.325 51 F C 0.962 176.395 175.800 -0.612 0.000 1.066 51 F CA -0.659 57.171 58.000 -0.283 0.000 0.946 51 F CB 1.936 40.813 39.000 -0.205 0.000 1.199 51 F HN 0.604 nan 8.300 nan 0.000 0.473 52 T N -2.832 111.296 114.554 -0.710 0.000 2.753 52 T HA 0.115 4.465 4.350 0.000 0.000 0.309 52 T C 0.698 174.871 174.700 -0.879 0.000 1.043 52 T CA -0.418 60.686 62.100 -1.659 0.000 0.964 52 T CB 0.542 68.531 68.868 -1.464 0.000 1.206 52 T HN 0.510 nan 8.240 nan 0.000 0.528 53 D N 0.044 120.018 120.400 -0.710 0.000 2.149 53 D HA 0.039 4.679 4.640 0.000 0.000 0.201 53 D C 0.471 176.442 176.300 -0.548 0.000 0.972 53 D CA 1.387 55.144 54.000 -0.406 0.000 0.835 53 D CB -0.118 40.513 40.800 -0.281 0.000 0.966 53 D HN 0.657 nan 8.370 nan 0.000 0.476 54 H N -1.348 117.643 119.070 -0.132 0.000 2.771 54 H HA 0.554 5.110 4.556 0.000 0.000 0.367 54 H C 0.085 175.362 175.328 -0.085 0.000 1.172 54 H CA -0.892 55.112 56.048 -0.074 0.000 1.186 54 H CB 1.887 31.633 29.762 -0.027 0.000 1.790 54 H HN -0.154 nan 8.280 nan 0.000 0.556 55 M N 0.776 120.427 119.600 0.085 0.000 2.575 55 M HA 0.512 4.992 4.480 0.000 0.000 0.284 55 M C -1.896 174.431 176.300 0.045 0.000 1.253 55 M CA -1.250 54.072 55.300 0.035 0.000 0.861 55 M CB 2.448 35.044 32.600 -0.007 0.000 1.733 55 M HN 0.422 nan 8.290 nan 0.000 0.462 56 L N 1.199 122.441 121.223 0.031 0.000 2.325 56 L HA 0.806 5.146 4.340 0.000 0.000 0.279 56 L C -1.006 175.881 176.870 0.028 0.000 1.054 56 L CA 0.658 55.500 54.840 0.004 0.000 0.804 56 L CB 2.044 44.070 42.059 -0.054 0.000 1.200 56 L HN 0.923 nan 8.230 nan 0.000 0.436 57 T N 3.831 118.391 114.554 0.011 0.000 2.971 57 T HA 0.670 5.020 4.350 0.000 0.000 0.304 57 T C -1.533 173.160 174.700 -0.012 0.000 1.038 57 T CA -0.391 61.725 62.100 0.027 0.000 1.007 57 T CB 1.496 70.371 68.868 0.011 0.000 1.055 57 T HN 0.368 nan 8.240 nan 0.000 0.451 58 V N 3.153 123.047 119.914 -0.032 0.000 2.569 58 V HA 0.506 4.626 4.120 0.000 0.000 0.301 58 V C -0.389 175.855 176.094 0.250 0.000 1.044 58 V CA -1.081 61.215 62.300 -0.006 0.000 0.874 58 V CB 1.993 33.523 31.823 -0.488 0.000 1.002 58 V HN 0.751 nan 8.190 nan 0.000 0.424 59 E N 2.276 122.644 120.200 0.279 0.000 2.277 59 E HA 0.409 4.759 4.350 0.000 0.000 0.274 59 E C -1.321 175.474 176.600 0.326 0.000 1.022 59 E CA -0.351 56.208 56.400 0.265 0.000 0.853 59 E CB 2.810 32.600 29.700 0.151 0.000 1.086 59 E HN 0.735 nan 8.360 nan 0.000 0.397 60 W N 0.872 122.124 121.300 -0.079 0.000 3.022 60 W HA 0.355 5.015 4.660 0.000 0.000 0.335 60 W C -1.106 175.316 176.519 -0.162 0.000 1.133 60 W CA -0.252 56.891 57.345 -0.336 0.000 1.219 60 W CB 1.702 30.566 29.460 -0.993 0.000 1.409 60 W HN 0.209 nan 8.180 nan 0.000 0.507 61 S N 2.214 117.262 115.700 -1.085 0.000 2.542 61 S HA 0.235 4.705 4.470 0.000 0.000 0.293 61 S C 0.439 173.898 174.600 -1.902 0.000 1.089 61 S CA -0.458 57.106 58.200 -1.060 0.000 0.961 61 S CB 1.979 64.918 63.200 -0.434 0.000 1.062 61 S HN 0.529 nan 8.310 nan 0.000 0.483 62 S N 1.412 116.280 115.700 -1.387 0.000 2.368 62 S HA -0.167 4.303 4.470 0.000 0.000 0.225 62 S C 1.749 176.003 174.600 -0.576 0.000 1.030 62 S CA 2.081 59.765 58.200 -0.860 0.000 0.999 62 S CB -0.299 62.681 63.200 -0.366 0.000 0.844 62 S HN 0.814 nan 8.310 nan 0.000 0.459 63 E N -1.126 118.710 120.200 -0.607 0.000 2.158 63 E HA -0.027 4.323 4.350 0.000 0.000 0.191 63 E C 1.189 177.332 176.600 -0.762 0.000 0.982 63 E CA 0.861 56.843 56.400 -0.697 0.000 0.823 63 E CB -0.331 28.826 29.700 -0.905 0.000 0.766 63 E HN 0.695 nan 8.360 nan 0.000 0.468 64 F N 0.758 120.544 119.950 -0.273 0.000 2.706 64 F HA 0.365 4.892 4.527 0.000 0.000 0.308 64 F C 1.370 177.070 175.800 -0.167 0.000 1.095 64 F CA 0.041 57.935 58.000 -0.176 0.000 1.244 64 F CB 1.302 40.223 39.000 -0.132 0.000 1.063 64 F HN 0.223 nan 8.300 nan 0.000 0.582 65 G N 0.615 109.274 108.800 -0.235 0.000 2.598 65 G HA2 -0.324 3.636 3.960 0.000 0.000 0.244 65 G HA3 -0.324 3.636 3.960 0.000 0.000 0.244 65 G C -0.725 174.149 174.900 -0.043 0.000 1.302 65 G CA -0.746 44.269 45.100 -0.142 0.000 0.903 65 G HN 0.214 nan 8.290 nan 0.000 0.575 66 W N 1.110 122.662 121.300 0.420 0.000 2.251 66 W HA 0.546 5.206 4.660 0.000 0.000 0.327 66 W C 0.824 177.512 176.519 0.280 0.000 1.361 66 W CA 0.186 57.812 57.345 0.467 0.000 1.234 66 W CB 0.707 30.500 29.460 0.555 0.000 1.212 66 W HN 0.716 nan 8.180 nan 0.000 0.557 67 E N 2.447 122.950 120.200 0.506 0.000 2.351 67 E HA 0.182 4.532 4.350 0.000 0.000 0.255 67 E C -0.135 176.667 176.600 0.336 0.000 1.188 67 E CA -0.363 56.232 56.400 0.325 0.000 0.940 67 E CB 0.548 30.394 29.700 0.244 0.000 1.094 67 E HN 0.179 nan 8.360 nan 0.000 0.474 68 K N 2.205 122.743 120.400 0.230 0.000 2.382 68 K HA 0.159 4.479 4.320 0.000 0.000 0.275 68 K C -2.079 174.605 176.600 0.140 0.000 1.009 68 K CA -1.325 55.056 56.287 0.157 0.000 0.970 68 K CB 0.104 32.636 32.500 0.054 0.000 0.934 68 K HN 0.387 nan 8.250 nan 0.000 0.479 69 P HA 0.158 nan 4.420 nan 0.000 0.277 69 P C -1.182 176.068 177.300 -0.084 0.000 1.240 69 P CA -0.237 62.848 63.100 -0.025 0.000 0.798 69 P CB 0.711 32.352 31.700 -0.099 0.000 0.979 70 H N 0.483 119.521 119.070 -0.054 0.000 2.529 70 H HA 0.522 5.078 4.556 0.000 0.000 0.348 70 H C -0.266 175.040 175.328 -0.036 0.000 1.079 70 H CA -0.440 55.590 56.048 -0.030 0.000 1.198 70 H CB 0.995 30.748 29.762 -0.016 0.000 1.521 70 H HN 0.234 nan 8.280 nan 0.000 0.514 71 I N 4.485 125.085 120.570 0.050 0.000 2.330 71 I HA 0.297 4.467 4.170 0.000 0.000 0.289 71 I C -0.271 175.893 176.117 0.078 0.000 1.001 71 I CA -0.356 60.965 61.300 0.035 0.000 1.193 71 I CB 0.495 38.472 38.000 -0.038 0.000 1.345 71 I HN 0.565 nan 8.210 nan 0.000 0.461 72 K N 6.045 126.520 120.400 0.125 0.000 2.469 72 K HA 0.706 5.026 4.320 0.000 0.000 0.268 72 K C -3.148 173.565 176.600 0.189 0.000 1.027 72 K CA -2.118 54.262 56.287 0.155 0.000 0.893 72 K CB 1.401 33.961 32.500 0.099 0.000 1.460 72 K HN -0.011 nan 8.250 nan 0.000 0.449 73 P HA -0.009 nan 4.420 nan 0.000 0.269 73 P C -0.552 176.710 177.300 -0.063 0.000 1.209 73 P CA -0.447 62.640 63.100 -0.022 0.000 0.776 73 P CB 0.304 31.980 31.700 -0.040 0.000 0.876 74 L N 3.654 124.802 121.223 -0.125 0.000 2.559 74 L HA 0.053 4.393 4.340 0.000 0.000 0.274 74 L C 0.182 176.971 176.870 -0.135 0.000 1.205 74 L CA 1.315 56.072 54.840 -0.138 0.000 0.907 74 L CB -0.596 41.361 42.059 -0.170 0.000 1.153 74 L HN 0.439 nan 8.230 nan 0.000 0.490 75 Q N 2.702 122.409 119.800 -0.155 0.000 2.534 75 Q HA 0.460 4.801 4.340 0.000 0.000 0.290 75 Q C -1.098 174.790 176.000 -0.187 0.000 0.991 75 Q CA -1.180 54.537 55.803 -0.145 0.000 0.783 75 Q CB 0.749 29.420 28.738 -0.112 0.000 1.470 75 Q HN 0.515 nan 8.270 nan 0.000 0.406 76 N N 0.596 119.198 118.700 -0.162 0.000 2.441 76 N HA 0.215 4.955 4.740 0.000 0.000 0.251 76 N C -0.684 174.713 175.510 -0.188 0.000 1.242 76 N CA 0.112 53.057 53.050 -0.175 0.000 0.898 76 N CB 0.341 38.751 38.487 -0.128 0.000 1.100 76 N HN 0.437 nan 8.380 nan 0.000 0.443 77 L N 0.496 121.588 121.223 -0.220 0.000 2.305 77 L HA 0.219 4.560 4.340 0.000 0.000 0.281 77 L C 0.788 177.581 176.870 -0.128 0.000 1.085 77 L CA -0.358 54.357 54.840 -0.208 0.000 0.813 77 L CB 1.017 42.909 42.059 -0.278 0.000 1.157 77 L HN 0.382 nan 8.230 nan 0.000 0.436 78 S N 4.037 119.678 115.700 -0.098 0.000 2.404 78 S HA 0.532 5.002 4.470 0.000 0.000 0.309 78 S C -0.588 173.992 174.600 -0.034 0.000 1.076 78 S CA -0.593 57.569 58.200 -0.063 0.000 1.095 78 S CB -0.067 63.099 63.200 -0.056 0.000 0.972 78 S HN 0.303 nan 8.310 nan 0.000 0.484 79 L N 5.496 126.706 121.223 -0.022 0.000 2.356 79 L HA 0.423 4.763 4.340 0.000 0.000 0.277 79 L C 0.360 177.260 176.870 0.050 0.000 0.996 79 L CA -0.608 54.247 54.840 0.025 0.000 0.822 79 L CB 1.444 43.516 42.059 0.020 0.000 1.256 79 L HN 0.687 nan 8.230 nan 0.000 0.413 80 H N 5.978 125.053 119.070 0.008 0.000 3.094 80 H HA 0.014 4.570 4.556 0.000 0.000 0.320 80 H C -1.558 173.789 175.328 0.032 0.000 1.000 80 H CA -0.530 55.528 56.048 0.015 0.000 1.413 80 H CB 1.265 31.038 29.762 0.017 0.000 1.405 80 H HN 0.403 nan 8.280 nan 0.000 0.586 81 P HA -0.077 nan 4.420 nan 0.000 0.225 81 P C 1.098 178.594 177.300 0.325 0.000 1.148 81 P CA 1.286 64.447 63.100 0.103 0.000 0.779 81 P CB 0.009 31.706 31.700 -0.004 0.000 0.780 82 G N -0.490 108.600 108.800 0.484 0.000 2.985 82 G HA2 -0.021 3.939 3.960 0.000 0.000 0.209 82 G HA3 -0.021 3.939 3.960 0.000 0.000 0.209 82 G C 0.403 175.379 174.900 0.126 0.000 1.165 82 G CA -0.074 45.158 45.100 0.221 0.000 0.776 82 G HN 0.168 nan 8.290 nan 0.000 0.541 83 S N 1.190 117.017 115.700 0.211 0.000 2.673 83 S HA 0.050 4.520 4.470 0.000 0.000 0.308 83 S C 1.888 176.587 174.600 0.165 0.000 1.246 83 S CA 0.447 58.734 58.200 0.145 0.000 1.077 83 S CB 1.016 64.296 63.200 0.135 0.000 0.814 83 S HN 0.577 nan 8.310 nan 0.000 0.503 84 S N 3.350 119.114 115.700 0.106 0.000 2.440 84 S HA -0.170 4.300 4.470 0.000 0.000 0.238 84 S C 1.882 176.544 174.600 0.103 0.000 1.010 84 S CA 0.654 58.919 58.200 0.108 0.000 0.972 84 S CB -0.432 62.870 63.200 0.170 0.000 0.774 84 S HN 0.839 nan 8.310 nan 0.000 0.501 85 A N 1.429 124.308 122.820 0.099 0.000 2.070 85 A HA 0.206 4.526 4.320 0.000 0.000 0.220 85 A C 2.124 179.733 177.584 0.042 0.000 1.159 85 A CA 1.117 53.206 52.037 0.088 0.000 0.656 85 A CB -0.580 18.486 19.000 0.110 0.000 0.800 85 A HN 0.599 nan 8.150 nan 0.000 0.453 86 L N -2.436 118.788 121.223 0.001 0.000 2.513 86 L HA 0.125 4.465 4.340 0.000 0.000 0.222 86 L C 2.135 178.800 176.870 -0.342 0.000 1.096 86 L CA 0.300 55.056 54.840 -0.141 0.000 0.857 86 L CB -0.227 41.730 42.059 -0.170 0.000 1.026 86 L HN 0.442 nan 8.230 nan 0.000 0.469 87 H N -1.713 117.205 119.070 -0.253 0.000 2.481 87 H HA 0.142 4.698 4.556 0.000 0.000 0.291 87 H C 0.610 175.681 175.328 -0.428 0.000 1.009 87 H CA 0.813 56.556 56.048 -0.508 0.000 1.282 87 H CB 0.832 29.984 29.762 -1.017 0.000 1.457 87 H HN 0.189 nan 8.280 nan 0.000 0.525 88 Y N -0.130 120.260 120.300 0.150 0.000 2.682 88 Y HA 0.517 5.067 4.550 0.000 0.000 0.251 88 Y C 1.028 176.965 175.900 0.062 0.000 1.172 88 Y CA -0.387 57.764 58.100 0.086 0.000 1.186 88 Y CB 0.265 38.766 38.460 0.068 0.000 1.216 88 Y HN 0.168 nan 8.280 nan 0.000 0.540 89 A N -0.128 122.780 122.820 0.147 0.000 2.704 89 A HA -0.199 4.121 4.320 0.000 0.000 0.299 89 A C -0.002 177.651 177.584 0.115 0.000 1.507 89 A CA 0.754 52.862 52.037 0.118 0.000 0.776 89 A CB -2.298 16.770 19.000 0.114 0.000 1.027 89 A HN 0.135 nan 8.150 nan 0.000 0.475 90 V N 1.355 121.336 119.914 0.112 0.000 2.287 90 V HA 0.457 4.577 4.120 0.000 0.000 0.246 90 V C 0.454 176.574 176.094 0.043 0.000 1.165 90 V CA 1.088 63.426 62.300 0.064 0.000 1.088 90 V CB -0.573 31.289 31.823 0.065 0.000 1.242 90 V HN 0.875 nan 8.190 nan 0.000 0.497 91 E N 5.774 126.004 120.200 0.050 0.000 2.388 91 E HA 0.679 5.029 4.350 0.000 0.000 0.282 91 E C -1.810 174.866 176.600 0.127 0.000 1.026 91 E CA -1.035 55.420 56.400 0.092 0.000 0.820 91 E CB 2.361 32.147 29.700 0.143 0.000 1.226 91 E HN 0.281 nan 8.360 nan 0.000 0.432 92 L N -0.764 120.558 121.223 0.166 0.000 2.600 92 L HA 0.825 5.165 4.340 0.000 0.000 0.257 92 L C -1.367 175.669 176.870 0.276 0.000 1.048 92 L CA -0.937 54.025 54.840 0.203 0.000 0.869 92 L CB 1.065 43.182 42.059 0.097 0.000 1.482 92 L HN 0.825 nan 8.230 nan 0.000 0.408 93 F N -1.417 118.568 119.950 0.059 0.000 2.664 93 F HA 0.941 5.468 4.527 0.000 0.000 0.317 93 F C -0.678 175.136 175.800 0.025 0.000 1.108 93 F CA -0.596 57.408 58.000 0.006 0.000 0.957 93 F CB 1.423 40.411 39.000 -0.019 0.000 1.365 93 F HN 0.547 nan 8.300 nan 0.000 0.475 94 E N -0.159 120.089 120.200 0.080 0.000 2.410 94 E HA 0.706 5.056 4.350 0.000 0.000 0.269 94 E C -1.229 175.451 176.600 0.134 0.000 0.937 94 E CA -1.023 55.374 56.400 -0.005 0.000 0.793 94 E CB 2.094 31.784 29.700 -0.017 0.000 1.314 94 E HN 1.054 nan 8.360 nan 0.000 0.447 95 G N 1.129 109.975 108.800 0.078 0.000 2.719 95 G HA2 0.552 4.512 3.960 0.000 0.000 0.284 95 G HA3 0.552 4.512 3.960 0.000 0.000 0.284 95 G C -1.372 173.520 174.900 -0.014 0.000 1.488 95 G CA -0.456 44.657 45.100 0.022 0.000 1.139 95 G HN 0.130 nan 8.290 nan 0.000 0.552 96 L N -1.010 120.082 121.223 -0.218 0.000 2.502 96 L HA 0.799 5.139 4.340 0.000 0.000 0.253 96 L C -0.565 176.222 176.870 -0.139 0.000 1.070 96 L CA -2.092 52.714 54.840 -0.056 0.000 0.871 96 L CB 0.892 42.947 42.059 -0.007 0.000 1.487 96 L HN 0.461 nan 8.230 nan 0.000 0.408 97 K N 0.039 120.405 120.400 -0.057 0.000 2.426 97 K HA 0.925 5.245 4.320 0.000 0.000 0.251 97 K C -1.134 175.239 176.600 -0.378 0.000 0.941 97 K CA -0.736 55.376 56.287 -0.291 0.000 0.808 97 K CB 2.724 34.907 32.500 -0.527 0.000 1.265 97 K HN 0.940 nan 8.250 nan 0.000 0.432 98 A N 2.259 124.807 122.820 -0.453 0.000 2.324 98 A HA 0.774 5.094 4.320 0.000 0.000 0.330 98 A C -1.244 176.004 177.584 -0.560 0.000 1.165 98 A CA -0.500 51.343 52.037 -0.323 0.000 0.813 98 A CB 0.125 19.044 19.000 -0.134 0.000 1.197 98 A HN 0.558 nan 8.150 nan 0.000 0.484 99 F N 0.688 120.576 119.950 -0.105 0.000 2.507 99 F HA 0.486 5.013 4.527 0.000 0.000 0.328 99 F C 0.479 176.210 175.800 -0.115 0.000 1.136 99 F CA -0.508 57.361 58.000 -0.218 0.000 0.930 99 F CB 2.003 40.647 39.000 -0.594 0.000 1.166 99 F HN 0.665 nan 8.300 nan 0.000 0.436 100 R N 2.158 122.734 120.500 0.128 0.000 2.291 100 R HA 0.442 4.782 4.340 0.000 0.000 0.333 100 R C 0.524 176.962 176.300 0.229 0.000 1.082 100 R CA -0.102 56.050 56.100 0.087 0.000 0.948 100 R CB 0.068 30.329 30.300 -0.064 0.000 1.009 100 R HN 0.889 nan 8.270 nan 0.000 0.460 101 G N 1.571 110.475 108.800 0.173 0.000 2.667 101 G HA2 -0.028 3.932 3.960 0.000 0.000 0.250 101 G HA3 -0.028 3.932 3.960 0.000 0.000 0.250 101 G C 0.823 175.834 174.900 0.185 0.000 1.212 101 G CA -0.568 44.661 45.100 0.214 0.000 0.874 101 G HN 0.544 nan 8.290 nan 0.000 0.561 102 V N 0.208 120.222 119.914 0.167 0.000 2.568 102 V HA -0.132 3.988 4.120 0.000 0.000 0.253 102 V C 2.052 178.194 176.094 0.079 0.000 1.072 102 V CA 2.718 65.077 62.300 0.099 0.000 1.084 102 V CB -0.435 31.431 31.823 0.071 0.000 0.676 102 V HN 0.840 nan 8.190 nan 0.000 0.469 103 D N -1.768 118.680 120.400 0.080 0.000 2.342 103 D HA 0.043 4.683 4.640 0.000 0.000 0.221 103 D C 1.079 177.420 176.300 0.069 0.000 1.101 103 D CA 0.487 54.526 54.000 0.065 0.000 0.837 103 D CB -0.633 40.200 40.800 0.056 0.000 0.938 103 D HN 0.515 nan 8.370 nan 0.000 0.508 104 N N -0.201 118.546 118.700 0.079 0.000 2.936 104 N HA -0.203 4.537 4.740 0.000 0.000 0.236 104 N C -0.910 174.631 175.510 0.052 0.000 0.930 104 N CA 0.880 53.972 53.050 0.071 0.000 0.966 104 N CB -1.039 37.504 38.487 0.094 0.000 1.090 104 N HN 0.330 nan 8.380 nan 0.000 0.592 105 K N 0.523 120.958 120.400 0.057 0.000 2.249 105 K HA 0.334 4.654 4.320 0.000 0.000 0.280 105 K C 0.175 176.806 176.600 0.053 0.000 1.033 105 K CA -0.291 56.027 56.287 0.051 0.000 0.946 105 K CB 0.922 33.453 32.500 0.052 0.000 1.005 105 K HN 0.184 nan 8.250 nan 0.000 0.469 106 I N 3.110 123.705 120.570 0.042 0.000 2.395 106 I HA 0.204 4.374 4.170 0.000 0.000 0.289 106 I C 0.320 176.478 176.117 0.068 0.000 1.023 106 I CA -0.174 61.153 61.300 0.045 0.000 1.350 106 I CB 0.894 38.906 38.000 0.021 0.000 1.409 106 I HN 0.367 nan 8.210 nan 0.000 0.507 107 R N 5.162 125.725 120.500 0.105 0.000 2.686 107 R HA 0.603 4.943 4.340 0.000 0.000 0.286 107 R C -1.366 175.055 176.300 0.202 0.000 0.969 107 R CA -0.975 55.209 56.100 0.140 0.000 0.898 107 R CB 1.802 32.188 30.300 0.144 0.000 1.183 107 R HN 0.320 nan 8.270 nan 0.000 0.456 108 L N 2.520 123.845 121.223 0.170 0.000 2.360 108 L HA 0.466 4.806 4.340 0.000 0.000 0.271 108 L C -0.440 176.606 176.870 0.293 0.000 1.057 108 L CA -0.327 54.634 54.840 0.201 0.000 0.803 108 L CB 0.637 42.757 42.059 0.102 0.000 1.207 108 L HN 0.538 nan 8.230 nan 0.000 0.445 109 F N 2.504 122.558 119.950 0.173 0.000 2.460 109 F HA 0.310 4.837 4.527 0.000 0.000 0.341 109 F C 0.483 176.322 175.800 0.064 0.000 1.130 109 F CA -0.426 57.659 58.000 0.142 0.000 0.962 109 F CB 0.694 39.811 39.000 0.195 0.000 1.171 109 F HN 0.602 nan 8.300 nan 0.000 0.436 110 Q N 5.136 124.670 119.800 -0.442 0.000 2.434 110 Q HA -0.188 4.152 4.340 0.000 0.000 0.299 110 Q C -1.819 174.097 176.000 -0.140 0.000 1.286 110 Q CA 0.745 56.311 55.803 -0.395 0.000 0.872 110 Q CB -1.104 27.230 28.738 -0.673 0.000 1.193 110 Q HN 0.571 nan 8.270 nan 0.000 0.466 111 P HA -0.127 nan 4.420 nan 0.000 0.223 111 P C 0.931 178.219 177.300 -0.021 0.000 1.151 111 P CA 0.794 63.888 63.100 -0.009 0.000 0.787 111 P CB 0.112 31.818 31.700 0.010 0.000 0.788 112 N N -0.002 118.674 118.700 -0.041 0.000 2.331 112 N HA -0.013 4.727 4.740 0.000 0.000 0.180 112 N C 1.881 177.364 175.510 -0.045 0.000 1.019 112 N CA 0.755 53.782 53.050 -0.039 0.000 0.881 112 N CB -0.360 38.098 38.487 -0.048 0.000 0.972 112 N HN 0.256 nan 8.380 nan 0.000 0.435 113 L N 1.081 122.263 121.223 -0.067 0.000 2.141 113 L HA -0.086 4.254 4.340 0.000 0.000 0.209 113 L C 1.811 178.665 176.870 -0.026 0.000 1.094 113 L CA 0.855 55.656 54.840 -0.064 0.000 0.763 113 L CB -0.384 41.611 42.059 -0.106 0.000 0.908 113 L HN 0.181 nan 8.230 nan 0.000 0.437 114 N N -0.254 118.439 118.700 -0.010 0.000 2.216 114 N HA -0.113 4.627 4.740 0.000 0.000 0.183 114 N C 1.862 177.400 175.510 0.047 0.000 1.017 114 N CA 1.119 54.178 53.050 0.014 0.000 0.861 114 N CB -0.008 38.487 38.487 0.014 0.000 0.986 114 N HN 0.283 nan 8.380 nan 0.000 0.428 115 M N 1.232 120.862 119.600 0.051 0.000 2.175 115 M HA -0.080 4.400 4.480 0.000 0.000 0.264 115 M C 1.193 177.553 176.300 0.102 0.000 1.063 115 M CA 1.221 56.587 55.300 0.111 0.000 1.119 115 M CB -0.977 31.673 32.600 0.083 0.000 1.377 115 M HN -0.005 nan 8.290 nan 0.000 0.415 116 D N -0.213 120.201 120.400 0.024 0.000 2.117 116 D HA -0.144 4.496 4.640 0.000 0.000 0.197 116 D C 2.134 178.465 176.300 0.052 0.000 0.987 116 D CA 1.106 55.101 54.000 -0.008 0.000 0.829 116 D CB -0.306 40.466 40.800 -0.047 0.000 0.961 116 D HN 0.331 nan 8.370 nan 0.000 0.460 117 R N -0.022 120.505 120.500 0.046 0.000 2.092 117 R HA 0.002 4.342 4.340 0.000 0.000 0.231 117 R C 2.304 178.654 176.300 0.084 0.000 1.119 117 R CA 0.733 56.859 56.100 0.044 0.000 0.970 117 R CB -0.179 30.128 30.300 0.011 0.000 0.864 117 R HN 0.116 nan 8.270 nan 0.000 0.440 118 M N -0.537 119.144 119.600 0.136 0.000 2.117 118 M HA -0.226 4.254 4.480 0.000 0.000 0.262 118 M C 1.783 178.263 176.300 0.301 0.000 1.065 118 M CA 1.696 57.133 55.300 0.228 0.000 1.114 118 M CB -0.216 32.569 32.600 0.307 0.000 1.361 118 M HN 0.258 nan 8.290 nan 0.000 0.408 119 Y N 0.664 121.011 120.300 0.079 0.000 2.145 119 Y HA -0.248 4.302 4.550 0.000 0.000 0.286 119 Y C 2.369 178.235 175.900 -0.057 0.000 1.145 119 Y CA 1.881 59.900 58.100 -0.135 0.000 1.148 119 Y CB -0.147 38.132 38.460 -0.302 0.000 0.981 119 Y HN 0.149 nan 8.280 nan 0.000 0.507 120 R N -0.532 120.085 120.500 0.194 0.000 2.091 120 R HA -0.177 4.163 4.340 0.000 0.000 0.238 120 R C 2.426 178.740 176.300 0.024 0.000 1.136 120 R CA 1.702 57.860 56.100 0.097 0.000 0.959 120 R CB -0.539 29.802 30.300 0.069 0.000 0.856 120 R HN 0.287 nan 8.270 nan 0.000 0.437 121 S N 0.568 116.291 115.700 0.038 0.000 2.368 121 S HA -0.135 4.335 4.470 0.000 0.000 0.225 121 S C 2.062 176.659 174.600 -0.005 0.000 1.030 121 S CA 1.203 59.415 58.200 0.019 0.000 0.999 121 S CB -0.170 63.048 63.200 0.031 0.000 0.844 121 S HN 0.486 nan 8.310 nan 0.000 0.459 122 A N 1.185 124.017 122.820 0.019 0.000 1.908 122 A HA -0.070 4.250 4.320 0.000 0.000 0.218 122 A C 2.342 179.834 177.584 -0.153 0.000 1.181 122 A CA 1.598 53.603 52.037 -0.054 0.000 0.627 122 A CB -0.969 18.116 19.000 0.140 0.000 0.818 122 A HN 0.339 nan 8.150 nan 0.000 0.445 123 V N -0.030 119.781 119.914 -0.172 0.000 2.287 123 V HA -0.253 3.867 4.120 0.000 0.000 0.248 123 V C 2.684 178.722 176.094 -0.094 0.000 1.053 123 V CA 2.431 64.640 62.300 -0.152 0.000 1.027 123 V CB -0.770 30.981 31.823 -0.121 0.000 0.646 123 V HN 0.632 nan 8.190 nan 0.000 0.447 124 R N 0.796 121.257 120.500 -0.065 0.000 2.152 124 R HA -0.033 4.307 4.340 0.000 0.000 0.232 124 R C 1.946 178.213 176.300 -0.055 0.000 1.117 124 R CA 1.634 57.706 56.100 -0.047 0.000 0.981 124 R CB -0.701 29.581 30.300 -0.028 0.000 0.870 124 R HN 0.483 nan 8.270 nan 0.000 0.451 125 A N -0.786 121.988 122.820 -0.077 0.000 2.123 125 A HA 0.060 4.380 4.320 0.000 0.000 0.214 125 A C 0.877 178.391 177.584 -0.116 0.000 1.152 125 A CA 1.222 53.205 52.037 -0.090 0.000 0.728 125 A CB -0.431 18.499 19.000 -0.116 0.000 0.814 125 A HN 0.611 nan 8.150 nan 0.000 0.464 126 T N -3.558 110.916 114.554 -0.133 0.000 4.886 126 T HA -0.176 4.174 4.350 0.000 0.000 0.295 126 T C -0.049 174.517 174.700 -0.224 0.000 1.495 126 T CA 1.045 63.060 62.100 -0.142 0.000 2.670 126 T CB -2.843 65.971 68.868 -0.089 0.000 1.686 126 T HN 0.364 nan 8.240 nan 0.000 0.981 127 L N 1.639 122.665 121.223 -0.328 0.000 2.439 127 L HA 0.551 4.891 4.340 0.000 0.000 0.261 127 L C -1.443 175.153 176.870 -0.457 0.000 1.153 127 L CA -2.585 51.929 54.840 -0.544 0.000 0.808 127 L CB 0.503 41.963 42.059 -0.999 0.000 1.126 127 L HN 0.075 nan 8.230 nan 0.000 0.460 128 P HA 0.016 nan 4.420 nan 0.000 0.268 128 P C -0.318 177.068 177.300 0.144 0.000 1.204 128 P CA -0.109 62.684 63.100 -0.512 0.000 0.768 128 P CB 0.829 31.572 31.700 -1.594 0.000 0.842 129 V N 4.394 124.334 119.914 0.043 0.000 3.096 129 V HA 0.228 4.348 4.120 0.000 0.000 0.306 129 V C 0.502 176.807 176.094 0.352 0.000 1.088 129 V CA 0.706 62.975 62.300 -0.052 0.000 1.129 129 V CB -0.420 31.262 31.823 -0.234 0.000 1.014 129 V HN 0.619 nan 8.190 nan 0.000 0.486 130 F N 0.180 120.213 119.950 0.139 0.000 2.715 130 F HA 0.539 5.066 4.527 0.000 0.000 0.318 130 F C -0.626 175.135 175.800 -0.065 0.000 1.141 130 F CA -1.416 56.528 58.000 -0.093 0.000 0.950 130 F CB 1.234 40.010 39.000 -0.374 0.000 1.374 130 F HN 0.371 nan 8.300 nan 0.000 0.477 131 D N 1.505 121.821 120.400 -0.139 0.000 2.316 131 D HA 0.181 4.821 4.640 0.000 0.000 0.245 131 D C 0.424 176.710 176.300 -0.024 0.000 1.171 131 D CA -0.014 53.903 54.000 -0.138 0.000 0.856 131 D CB 1.538 42.216 40.800 -0.203 0.000 1.090 131 D HN 0.682 nan 8.370 nan 0.000 0.476 132 K N 2.612 122.994 120.400 -0.030 0.000 2.057 132 K HA -0.158 4.162 4.320 0.000 0.000 0.207 132 K C 1.587 178.200 176.600 0.022 0.000 1.049 132 K CA 1.155 57.483 56.287 0.068 0.000 0.931 132 K CB 0.272 32.746 32.500 -0.043 0.000 0.714 132 K HN 0.516 nan 8.250 nan 0.000 0.440 133 E N 0.602 120.776 120.200 -0.044 0.000 2.150 133 E HA -0.157 4.193 4.350 0.000 0.000 0.193 133 E C 1.932 178.503 176.600 -0.048 0.000 0.985 133 E CA 0.792 57.166 56.400 -0.044 0.000 0.814 133 E CB 0.139 29.805 29.700 -0.057 0.000 0.752 133 E HN 0.233 nan 8.360 nan 0.000 0.466 134 E N 0.614 120.755 120.200 -0.099 0.000 2.072 134 E HA -0.160 4.190 4.350 0.000 0.000 0.191 134 E C 2.158 178.734 176.600 -0.040 0.000 0.985 134 E CA 0.555 56.874 56.400 -0.135 0.000 0.801 134 E CB -0.239 29.257 29.700 -0.341 0.000 0.750 134 E HN 0.172 nan 8.360 nan 0.000 0.452 135 L N 0.996 122.211 121.223 -0.015 0.000 2.027 135 L HA -0.106 4.234 4.340 0.000 0.000 0.206 135 L C 2.293 179.190 176.870 0.046 0.000 1.074 135 L CA 1.200 56.107 54.840 0.112 0.000 0.745 135 L CB -0.752 41.344 42.059 0.061 0.000 0.898 135 L HN 0.101 nan 8.230 nan 0.000 0.433 136 L N -0.153 121.089 121.223 0.030 0.000 2.042 136 L HA -0.214 4.126 4.340 0.000 0.000 0.210 136 L C 2.475 179.348 176.870 0.005 0.000 1.076 136 L CA 2.135 56.983 54.840 0.012 0.000 0.749 136 L CB -0.886 41.178 42.059 0.009 0.000 0.893 136 L HN 0.469 nan 8.230 nan 0.000 0.432 137 E N -0.931 119.272 120.200 0.005 0.000 2.077 137 E HA -0.196 4.154 4.350 0.000 0.000 0.193 137 E C 2.241 178.845 176.600 0.007 0.000 0.989 137 E CA 1.784 58.186 56.400 0.003 0.000 0.800 137 E CB -0.654 29.045 29.700 -0.002 0.000 0.746 137 E HN 0.619 nan 8.360 nan 0.000 0.452 138 C N -0.018 119.296 119.300 0.023 0.000 2.429 138 C HA -0.055 4.405 4.460 0.000 0.000 0.277 138 C C 2.616 177.597 174.990 -0.015 0.000 1.262 138 C CA 0.655 59.681 59.018 0.013 0.000 1.733 138 C CB -0.998 26.766 27.740 0.039 0.000 2.010 138 C HN 0.470 nan 8.230 nan 0.000 0.483 139 I N 0.358 120.917 120.570 -0.019 0.000 2.252 139 I HA -0.252 3.918 4.170 0.000 0.000 0.245 139 I C 2.724 178.828 176.117 -0.021 0.000 1.102 139 I CA 1.467 62.748 61.300 -0.032 0.000 1.385 139 I CB -0.589 37.387 38.000 -0.040 0.000 1.064 139 I HN 0.477 nan 8.210 nan 0.000 0.414 140 Q N 0.170 119.964 119.800 -0.011 0.000 2.084 140 Q HA -0.229 4.111 4.340 0.000 0.000 0.202 140 Q C 2.264 178.261 176.000 -0.004 0.000 0.978 140 Q CA 1.142 56.942 55.803 -0.004 0.000 0.844 140 Q CB -0.154 28.585 28.738 0.002 0.000 0.898 140 Q HN 0.509 nan 8.270 nan 0.000 0.426 141 Q N 0.491 120.285 119.800 -0.009 0.000 2.119 141 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 141 Q C 2.157 178.143 176.000 -0.023 0.000 0.972 141 Q CA 0.832 56.625 55.803 -0.016 0.000 0.847 141 Q CB -0.346 28.380 28.738 -0.020 0.000 0.903 141 Q HN 0.280 nan 8.270 nan 0.000 0.433 142 L N -0.007 121.202 121.223 -0.023 0.000 2.027 142 L HA -0.097 4.243 4.340 0.000 0.000 0.206 142 L C 2.269 179.139 176.870 0.001 0.000 1.074 142 L CA 1.379 56.207 54.840 -0.020 0.000 0.745 142 L CB -0.823 41.225 42.059 -0.020 0.000 0.898 142 L HN 0.069 nan 8.230 nan 0.000 0.433 143 V N -0.290 119.624 119.914 0.001 0.000 2.407 143 V HA -0.313 3.807 4.120 0.000 0.000 0.248 143 V C 2.715 178.833 176.094 0.040 0.000 1.055 143 V CA 2.319 64.630 62.300 0.019 0.000 1.049 143 V CB -0.461 31.362 31.823 0.000 0.000 0.662 143 V HN 0.698 nan 8.190 nan 0.000 0.455 144 K N -0.626 119.788 120.400 0.024 0.000 2.032 144 K HA -0.227 4.093 4.320 0.000 0.000 0.209 144 K C 2.141 178.765 176.600 0.040 0.000 1.048 144 K CA 2.235 58.539 56.287 0.029 0.000 0.927 144 K CB -0.361 32.148 32.500 0.014 0.000 0.712 144 K HN 0.461 nan 8.250 nan 0.000 0.441 145 L N 1.609 122.842 121.223 0.017 0.000 2.012 145 L HA -0.158 4.182 4.340 0.000 0.000 0.210 145 L C 0.720 177.665 176.870 0.124 0.000 1.073 145 L CA 1.972 56.817 54.840 0.008 0.000 0.748 145 L CB -0.295 41.688 42.059 -0.127 0.000 0.891 145 L HN 0.166 nan 8.230 nan 0.000 0.431 146 D N -1.097 119.408 120.400 0.175 0.000 2.561 146 D HA 0.013 4.653 4.640 0.000 0.000 0.232 146 D C 1.769 178.270 176.300 0.335 0.000 1.198 146 D CA 0.236 54.445 54.000 0.349 0.000 0.826 146 D CB 0.175 41.117 40.800 0.236 0.000 0.992 146 D HN 0.625 nan 8.370 nan 0.000 0.490 147 Q N 0.114 120.034 119.800 0.200 0.000 2.170 147 Q HA -0.137 4.203 4.340 0.000 0.000 0.203 147 Q C 0.959 177.039 176.000 0.134 0.000 0.976 147 Q CA 0.971 56.854 55.803 0.135 0.000 0.858 147 Q CB -0.023 28.763 28.738 0.080 0.000 0.907 147 Q HN 0.008 nan 8.270 nan 0.000 0.433 148 E N 0.221 120.516 120.200 0.159 0.000 2.409 148 E HA -0.136 4.214 4.350 0.000 0.000 0.198 148 E C 0.988 177.615 176.600 0.045 0.000 1.024 148 E CA 0.647 57.115 56.400 0.114 0.000 0.861 148 E CB -0.158 29.574 29.700 0.053 0.000 0.788 148 E HN 0.600 nan 8.360 nan 0.000 0.521 149 W N 0.684 122.025 121.300 0.067 0.000 2.584 149 W HA -0.008 4.652 4.660 0.000 0.000 0.264 149 W C 0.650 177.170 176.519 0.002 0.000 1.264 149 W CA 0.032 57.403 57.345 0.044 0.000 1.306 149 W CB 0.085 29.566 29.460 0.035 0.000 1.110 149 W HN -0.290 nan 8.180 nan 0.000 0.606 150 V N 3.800 123.808 119.914 0.157 0.000 2.434 150 V HA -0.018 4.102 4.120 0.000 0.000 0.281 150 V C -1.793 174.265 176.094 -0.060 0.000 1.005 150 V CA -1.317 60.995 62.300 0.021 0.000 1.089 150 V CB -0.541 31.259 31.823 -0.039 0.000 0.978 150 V HN -0.283 nan 8.190 nan 0.000 0.474 151 P HA -0.003 nan 4.420 nan 0.000 0.264 151 P C -0.574 176.708 177.300 -0.031 0.000 1.183 151 P CA 0.145 63.273 63.100 0.047 0.000 0.763 151 P CB 0.146 31.901 31.700 0.091 0.000 0.807 152 Y N 1.782 122.114 120.300 0.054 0.000 2.623 152 Y HA 0.341 4.891 4.550 0.000 0.000 0.341 152 Y C 0.987 176.914 175.900 0.046 0.000 1.292 152 Y CA 0.709 58.839 58.100 0.050 0.000 1.840 152 Y CB -0.162 38.309 38.460 0.018 0.000 1.865 152 Y HN 0.205 nan 8.280 nan 0.000 0.440 153 S N -0.161 115.620 115.700 0.135 0.000 2.570 153 S HA 0.122 4.593 4.470 0.000 0.000 0.286 153 S C 0.568 175.200 174.600 0.053 0.000 1.143 153 S CA -0.374 57.877 58.200 0.085 0.000 0.921 153 S CB 0.520 63.769 63.200 0.082 0.000 1.108 153 S HN 0.524 nan 8.310 nan 0.000 0.456 154 T N 0.997 115.487 114.554 -0.106 0.000 3.148 154 T HA 0.151 4.501 4.350 0.000 0.000 0.253 154 T C 0.974 175.345 174.700 -0.548 0.000 1.134 154 T CA 0.722 62.515 62.100 -0.511 0.000 1.051 154 T CB -0.132 68.426 68.868 -0.516 0.000 0.959 154 T HN 0.344 nan 8.240 nan 0.000 0.525 155 S N 0.473 116.086 115.700 -0.146 0.000 2.539 155 S HA 0.698 5.168 4.470 0.000 0.000 0.221 155 S C 0.649 175.323 174.600 0.124 0.000 0.987 155 S CA -0.256 57.928 58.200 -0.027 0.000 0.929 155 S CB 0.370 63.552 63.200 -0.029 0.000 0.832 155 S HN 0.835 nan 8.310 nan 0.000 0.492 156 A N 1.461 124.403 122.820 0.204 0.000 2.532 156 A HA 0.925 5.245 4.320 0.000 0.000 0.290 156 A C -0.348 177.404 177.584 0.280 0.000 1.143 156 A CA -0.629 51.536 52.037 0.212 0.000 0.728 156 A CB 1.466 20.544 19.000 0.129 0.000 1.317 156 A HN 0.378 nan 8.150 nan 0.000 0.414 157 S N -1.034 114.742 115.700 0.127 0.000 2.643 157 S HA 0.671 5.141 4.470 0.000 0.000 0.270 157 S C -1.661 172.888 174.600 -0.085 0.000 1.166 157 S CA -0.581 57.583 58.200 -0.061 0.000 0.815 157 S CB 0.948 63.934 63.200 -0.357 0.000 1.139 157 S HN 1.561 nan 8.310 nan 0.000 0.472 158 L N 2.221 123.340 121.223 -0.174 0.000 2.262 158 L HA 0.555 4.895 4.340 0.000 0.000 0.288 158 L C -1.047 175.762 176.870 -0.101 0.000 1.035 158 L CA -0.544 54.242 54.840 -0.091 0.000 0.820 158 L CB 0.552 42.578 42.059 -0.056 0.000 1.204 158 L HN 0.788 nan 8.230 nan 0.000 0.424 159 Y N 5.659 125.854 120.300 -0.175 0.000 2.359 159 Y HA 0.509 5.059 4.550 0.000 0.000 0.330 159 Y C -0.358 175.482 175.900 -0.101 0.000 1.143 159 Y CA -0.210 57.806 58.100 -0.139 0.000 1.318 159 Y CB 0.590 38.937 38.460 -0.189 0.000 1.234 159 Y HN 0.514 nan 8.280 nan 0.000 0.522 160 I N 7.089 127.301 120.570 -0.597 0.000 2.378 160 I HA 0.356 4.526 4.170 0.000 0.000 0.291 160 I C -0.611 175.166 176.117 -0.567 0.000 0.992 160 I CA -0.925 60.126 61.300 -0.415 0.000 1.154 160 I CB 1.574 39.421 38.000 -0.254 0.000 1.315 160 I HN 0.433 nan 8.210 nan 0.000 0.448 161 R N 8.275 128.607 120.500 -0.281 0.000 2.477 161 R HA 0.469 4.809 4.340 0.000 0.000 0.285 161 R C -2.826 173.407 176.300 -0.112 0.000 1.415 161 R CA -2.201 53.813 56.100 -0.144 0.000 1.446 161 R CB 0.477 30.816 30.300 0.064 0.000 1.110 161 R HN 0.168 nan 8.270 nan 0.000 0.590 162 P HA 0.262 nan 4.420 nan 0.000 0.271 162 P C -1.283 175.899 177.300 -0.196 0.000 1.216 162 P CA -0.156 62.833 63.100 -0.185 0.000 0.771 162 P CB 1.615 33.228 31.700 -0.145 0.000 0.864 163 A N 3.261 125.810 122.820 -0.453 0.000 2.475 163 A HA 0.768 5.088 4.320 0.000 0.000 0.301 163 A C -1.799 175.561 177.584 -0.372 0.000 1.059 163 A CA -0.378 51.367 52.037 -0.487 0.000 0.710 163 A CB 1.146 19.569 19.000 -0.962 0.000 1.288 163 A HN 0.385 nan 8.150 nan 0.000 0.408 164 F N 2.806 122.633 119.950 -0.205 0.000 2.671 164 F HA 0.622 5.149 4.527 0.000 0.000 0.332 164 F C -0.869 174.963 175.800 0.054 0.000 1.189 164 F CA -1.776 56.199 58.000 -0.043 0.000 0.988 164 F CB 1.527 40.529 39.000 0.004 0.000 1.258 164 F HN 0.650 nan 8.300 nan 0.000 0.471 165 I N 2.045 122.855 120.570 0.400 0.000 2.608 165 I HA 0.851 5.021 4.170 0.000 0.000 0.295 165 I C 0.125 176.333 176.117 0.151 0.000 1.049 165 I CA -1.138 60.296 61.300 0.222 0.000 1.063 165 I CB 2.150 40.324 38.000 0.290 0.000 1.248 165 I HN 0.640 nan 8.210 nan 0.000 0.424 166 G N 2.506 111.349 108.800 0.071 0.000 2.378 166 G HA2 0.428 4.388 3.960 0.000 0.000 0.255 166 G HA3 0.428 4.388 3.960 0.000 0.000 0.255 166 G C 0.100 175.069 174.900 0.115 0.000 1.270 166 G CA -0.218 44.925 45.100 0.072 0.000 0.876 166 G HN 0.789 nan 8.290 nan 0.000 0.521 167 T N 1.695 116.323 114.554 0.123 0.000 3.145 167 T HA 0.145 4.495 4.350 0.000 0.000 0.281 167 T C 0.587 175.329 174.700 0.070 0.000 1.003 167 T CA -0.307 61.861 62.100 0.112 0.000 0.901 167 T CB 0.144 69.090 68.868 0.130 0.000 1.112 167 T HN 0.471 nan 8.240 nan 0.000 0.535 168 E N 3.622 123.858 120.200 0.060 0.000 2.606 168 E HA -0.013 4.337 4.350 0.000 0.000 0.248 168 E C -1.602 174.961 176.600 -0.061 0.000 1.005 168 E CA -1.210 55.196 56.400 0.009 0.000 0.946 168 E CB 1.173 30.894 29.700 0.034 0.000 0.928 168 E HN 0.208 nan 8.360 nan 0.000 0.494 169 P HA -0.078 nan 4.420 nan 0.000 0.234 169 P C 0.220 177.327 177.300 -0.322 0.000 1.167 169 P CA 0.534 63.362 63.100 -0.453 0.000 0.763 169 P CB 0.268 31.497 31.700 -0.785 0.000 0.835 170 S N -0.739 114.864 115.700 -0.163 0.000 2.608 170 S HA 0.382 4.852 4.470 0.000 0.000 0.291 170 S C 0.868 175.431 174.600 -0.060 0.000 1.146 170 S CA -0.807 57.330 58.200 -0.105 0.000 1.043 170 S CB 1.094 64.253 63.200 -0.069 0.000 1.037 170 S HN -0.083 nan 8.310 nan 0.000 0.520 171 L N 1.414 122.606 121.223 -0.052 0.000 2.558 171 L HA 0.268 4.608 4.340 0.000 0.000 0.225 171 L C 1.572 178.542 176.870 0.167 0.000 1.128 171 L CA -0.077 54.764 54.840 0.002 0.000 0.868 171 L CB -1.040 40.981 42.059 -0.064 0.000 1.006 171 L HN 0.923 nan 8.230 nan 0.000 0.454 172 G N 0.708 109.549 108.800 0.068 0.000 2.380 172 G HA2 0.250 4.210 3.960 0.000 0.000 0.242 172 G HA3 0.250 4.210 3.960 0.000 0.000 0.242 172 G C 0.037 174.924 174.900 -0.022 0.000 1.298 172 G CA -0.322 44.786 45.100 0.013 0.000 0.878 172 G HN -0.038 nan 8.290 nan 0.000 0.542 173 V N 3.691 123.479 119.914 -0.212 0.000 2.326 173 V HA 0.310 4.430 4.120 0.000 0.000 0.249 173 V C 0.552 176.539 176.094 -0.180 0.000 1.114 173 V CA 0.179 62.237 62.300 -0.402 0.000 1.028 173 V CB -1.123 30.344 31.823 -0.592 0.000 1.170 173 V HN 0.952 nan 8.190 nan 0.000 0.494 174 K N 2.564 122.912 120.400 -0.087 0.000 2.578 174 K HA 0.526 4.846 4.320 0.000 0.000 0.287 174 K C -0.697 175.896 176.600 -0.012 0.000 1.010 174 K CA -1.243 55.016 56.287 -0.046 0.000 0.889 174 K CB 1.692 34.173 32.500 -0.032 0.000 1.514 174 K HN 0.125 nan 8.250 nan 0.000 0.424 175 K N 2.154 122.547 120.400 -0.012 0.000 2.504 175 K HA 0.032 4.352 4.320 0.000 0.000 0.278 175 K C -1.885 174.735 176.600 0.033 0.000 1.025 175 K CA -0.844 55.442 56.287 -0.002 0.000 1.093 175 K CB 0.125 32.624 32.500 -0.001 0.000 0.873 175 K HN 0.377 nan 8.250 nan 0.000 0.483 176 P HA -0.031 nan 4.420 nan 0.000 0.268 176 P C 0.056 177.484 177.300 0.213 0.000 1.204 176 P CA -0.023 63.133 63.100 0.094 0.000 0.768 176 P CB 1.026 32.765 31.700 0.065 0.000 0.842 177 T N -0.675 113.982 114.554 0.171 0.000 3.105 177 T HA 0.179 4.529 4.350 0.000 0.000 0.253 177 T C 0.528 175.266 174.700 0.064 0.000 1.047 177 T CA 0.097 62.278 62.100 0.135 0.000 0.944 177 T CB -0.013 68.841 68.868 -0.022 0.000 1.016 177 T HN 0.189 nan 8.240 nan 0.000 0.544 178 K N 0.752 121.284 120.400 0.221 0.000 2.535 178 K HA 0.749 5.069 4.320 0.000 0.000 0.251 178 K C -1.737 175.043 176.600 0.300 0.000 0.942 178 K CA -0.372 56.026 56.287 0.184 0.000 0.798 178 K CB 2.401 34.940 32.500 0.065 0.000 1.267 178 K HN 0.279 nan 8.250 nan 0.000 0.434 179 A N 3.516 126.564 122.820 0.381 0.000 2.587 179 A HA 0.709 5.029 4.320 0.000 0.000 0.293 179 A C -1.821 175.966 177.584 0.339 0.000 1.087 179 A CA -0.749 51.482 52.037 0.323 0.000 0.692 179 A CB 1.602 20.763 19.000 0.267 0.000 1.291 179 A HN 0.538 nan 8.150 nan 0.000 0.407 180 L N 2.142 123.593 121.223 0.380 0.000 2.381 180 L HA 0.633 4.973 4.340 0.000 0.000 0.274 180 L C -1.623 175.528 176.870 0.468 0.000 0.988 180 L CA -0.667 54.400 54.840 0.377 0.000 0.824 180 L CB 1.414 43.650 42.059 0.295 0.000 1.263 180 L HN 0.834 nan 8.230 nan 0.000 0.410 181 L N 5.976 127.369 121.223 0.282 0.000 2.296 181 L HA 0.584 4.924 4.340 0.000 0.000 0.286 181 L C -1.145 175.739 176.870 0.024 0.000 1.023 181 L CA -0.538 54.265 54.840 -0.061 0.000 0.812 181 L CB 1.286 42.984 42.059 -0.602 0.000 1.223 181 L HN 0.588 nan 8.230 nan 0.000 0.421 182 F N 3.508 123.393 119.950 -0.107 0.000 2.613 182 F HA 0.837 5.364 4.527 0.000 0.000 0.314 182 F C -1.503 174.236 175.800 -0.102 0.000 1.075 182 F CA -1.115 56.821 58.000 -0.106 0.000 0.945 182 F CB 1.408 40.372 39.000 -0.061 0.000 1.310 182 F HN 0.014 nan 8.300 nan 0.000 0.467 183 V N 3.288 123.237 119.914 0.058 0.000 2.531 183 V HA 0.522 4.642 4.120 0.000 0.000 0.301 183 V C -0.952 175.187 176.094 0.075 0.000 1.034 183 V CA -0.530 61.758 62.300 -0.020 0.000 0.865 183 V CB 1.434 33.211 31.823 -0.076 0.000 0.995 183 V HN 0.690 nan 8.190 nan 0.000 0.424 184 L N 5.302 126.571 121.223 0.077 0.000 2.334 184 L HA 0.677 5.017 4.340 0.000 0.000 0.273 184 L C -0.384 176.528 176.870 0.071 0.000 1.013 184 L CA -0.336 54.571 54.840 0.111 0.000 0.816 184 L CB 1.773 43.949 42.059 0.194 0.000 1.278 184 L HN 0.475 nan 8.230 nan 0.000 0.431 185 L N 1.374 122.637 121.223 0.067 0.000 2.365 185 L HA 0.692 5.032 4.340 0.000 0.000 0.273 185 L C -0.289 176.560 176.870 -0.034 0.000 1.000 185 L CA -0.411 54.419 54.840 -0.015 0.000 0.819 185 L CB 1.956 43.964 42.059 -0.085 0.000 1.284 185 L HN 0.565 nan 8.230 nan 0.000 0.418 186 S N 3.530 119.175 115.700 -0.091 0.000 2.776 186 S HA 0.551 5.021 4.470 0.000 0.000 0.284 186 S C -2.747 171.750 174.600 -0.171 0.000 1.160 186 S CA -1.259 56.783 58.200 -0.265 0.000 1.051 186 S CB 1.642 64.559 63.200 -0.473 0.000 1.037 186 S HN 0.216 nan 8.310 nan 0.000 0.485 187 P HA 0.245 nan 4.420 nan 0.000 0.267 187 P C -1.042 176.212 177.300 -0.077 0.000 1.205 187 P CA -0.183 62.916 63.100 -0.001 0.000 0.765 187 P CB 0.767 32.547 31.700 0.134 0.000 0.828 188 V N 3.264 123.156 119.914 -0.037 0.000 2.841 188 V HA 0.696 4.816 4.120 0.000 0.000 0.310 188 V C 0.599 176.732 176.094 0.065 0.000 1.090 188 V CA -0.345 61.935 62.300 -0.033 0.000 0.930 188 V CB 2.387 34.164 31.823 -0.076 0.000 1.014 188 V HN 0.729 nan 8.190 nan 0.000 0.425 189 G N 4.033 112.887 108.800 0.091 0.000 2.795 189 G HA2 0.794 4.754 3.960 0.000 0.000 0.267 189 G HA3 0.794 4.754 3.960 0.000 0.000 0.267 189 G C -2.612 172.363 174.900 0.126 0.000 1.362 189 G CA -1.065 44.097 45.100 0.103 0.000 1.048 189 G HN 0.575 nan 8.290 nan 0.000 0.547 198 N N 4.474 123.331 118.700 0.260 0.000 2.621 198 N HA 0.450 5.190 4.740 0.000 0.000 0.237 198 N C -2.610 172.965 175.510 0.108 0.000 0.997 198 N CA -1.379 51.757 53.050 0.144 0.000 0.918 198 N CB 1.274 39.821 38.487 0.101 0.000 1.122 198 N HN 0.132 nan 8.380 nan 0.000 0.510 199 P HA 0.027 nan 4.420 nan 0.000 0.269 199 P C -0.489 176.832 177.300 0.035 0.000 1.215 199 P CA -0.303 62.816 63.100 0.032 0.000 0.780 199 P CB 0.860 32.577 31.700 0.028 0.000 0.898 200 V N -1.425 118.501 119.914 0.021 0.000 2.769 200 V HA 0.592 4.712 4.120 0.000 0.000 0.312 200 V C 0.036 176.144 176.094 0.024 0.000 1.058 200 V CA -0.759 61.557 62.300 0.026 0.000 0.952 200 V CB 1.612 33.450 31.823 0.026 0.000 1.019 200 V HN 0.478 nan 8.190 nan 0.000 0.445 201 S N 3.641 119.363 115.700 0.037 0.000 2.525 201 S HA 0.735 5.205 4.470 0.000 0.000 0.278 201 S C -0.382 174.253 174.600 0.059 0.000 1.234 201 S CA -0.522 57.708 58.200 0.051 0.000 1.058 201 S CB 0.743 63.987 63.200 0.073 0.000 0.983 201 S HN 0.652 nan 8.310 nan 0.000 0.495 202 L N 2.407 123.664 121.223 0.058 0.000 2.329 202 L HA 0.503 4.843 4.340 0.000 0.000 0.279 202 L C -0.980 175.966 176.870 0.126 0.000 1.014 202 L CA -0.672 54.203 54.840 0.057 0.000 0.814 202 L CB 1.218 43.272 42.059 -0.009 0.000 1.257 202 L HN 0.637 nan 8.230 nan 0.000 0.424 203 W N 2.849 124.108 121.300 -0.069 0.000 2.349 203 W HA 0.600 5.260 4.660 0.000 0.000 0.309 203 W C -0.317 176.164 176.519 -0.063 0.000 1.083 203 W CA -0.454 56.863 57.345 -0.047 0.000 1.224 203 W CB 1.613 31.048 29.460 -0.042 0.000 1.256 203 W HN 0.462 nan 8.180 nan 0.000 0.461 204 A N 5.446 128.042 122.820 -0.373 0.000 2.328 204 A HA 0.374 4.694 4.320 0.000 0.000 0.318 204 A C -0.955 176.417 177.584 -0.352 0.000 1.347 204 A CA -0.581 51.301 52.037 -0.258 0.000 0.842 204 A CB 0.240 19.131 19.000 -0.182 0.000 1.148 204 A HN 0.495 nan 8.150 nan 0.000 0.499 205 N N 3.793 122.347 118.700 -0.243 0.000 2.479 205 N HA 0.396 5.136 4.740 0.000 0.000 0.261 205 N C -2.050 173.408 175.510 -0.087 0.000 0.979 205 N CA -2.153 50.751 53.050 -0.242 0.000 0.930 205 N CB 2.170 40.559 38.487 -0.163 0.000 1.172 205 N HN 0.253 nan 8.380 nan 0.000 0.499 206 P HA -0.042 nan 4.420 nan 0.000 0.234 206 P C 0.345 177.666 177.300 0.035 0.000 1.167 206 P CA 0.840 63.966 63.100 0.042 0.000 0.763 206 P CB 0.499 32.210 31.700 0.018 0.000 0.835 207 K N -1.355 118.965 120.400 -0.134 0.000 2.418 207 K HA 0.010 4.330 4.320 0.000 0.000 0.195 207 K C 0.036 176.571 176.600 -0.110 0.000 1.035 207 K CA 0.470 56.650 56.287 -0.179 0.000 1.003 207 K CB -0.108 32.213 32.500 -0.299 0.000 0.793 207 K HN 0.202 nan 8.250 nan 0.000 0.494 208 Y N 0.027 120.464 120.300 0.228 0.000 2.341 208 Y HA 0.334 4.884 4.550 0.000 0.000 0.337 208 Y C -0.122 176.043 175.900 0.440 0.000 1.014 208 Y CA -1.579 56.721 58.100 0.333 0.000 1.111 208 Y CB 1.254 39.960 38.460 0.410 0.000 1.194 208 Y HN -0.392 nan 8.280 nan 0.000 0.462 209 V N 4.551 124.786 119.914 0.535 0.000 2.444 209 V HA 0.389 4.509 4.120 0.000 0.000 0.294 209 V C 0.960 177.185 176.094 0.219 0.000 1.022 209 V CA -0.988 61.582 62.300 0.450 0.000 0.850 209 V CB 1.688 33.762 31.823 0.419 0.000 0.992 209 V HN 0.869 nan 8.190 nan 0.000 0.426 210 R N 2.958 123.441 120.500 -0.027 0.000 2.073 210 R HA 0.247 4.587 4.340 0.000 0.000 0.229 210 R C 0.558 176.683 176.300 -0.292 0.000 1.120 210 R CA 1.440 57.158 56.100 -0.637 0.000 0.967 210 R CB 0.261 29.814 30.300 -1.246 0.000 0.862 210 R HN 0.843 nan 8.270 nan 0.000 0.436 211 A N -1.048 121.732 122.820 -0.067 0.000 2.594 211 A HA 0.514 4.834 4.320 0.000 0.000 0.295 211 A C -2.150 175.557 177.584 0.204 0.000 1.071 211 A CA -0.687 51.345 52.037 -0.008 0.000 0.685 211 A CB 0.794 19.712 19.000 -0.138 0.000 1.285 211 A HN 0.258 nan 8.150 nan 0.000 0.405 212 W N 0.875 122.136 121.300 -0.064 0.000 2.882 212 W HA 0.565 5.225 4.660 0.000 0.000 0.345 212 W C -0.274 176.210 176.519 -0.058 0.000 1.125 212 W CA -0.495 56.847 57.345 -0.005 0.000 1.167 212 W CB 1.744 31.246 29.460 0.071 0.000 1.431 212 W HN 0.627 nan 8.180 nan 0.000 0.543 213 K N 1.631 121.997 120.400 -0.056 0.000 2.379 213 K HA 0.418 4.738 4.320 0.000 0.000 0.284 213 K C 0.660 177.312 176.600 0.087 0.000 1.044 213 K CA 0.941 57.191 56.287 -0.063 0.000 0.974 213 K CB 0.435 32.832 32.500 -0.172 0.000 0.962 213 K HN 0.811 nan 8.250 nan 0.000 0.474 214 G N 1.943 110.773 108.800 0.050 0.000 2.141 214 G HA2 -0.202 3.758 3.960 0.000 0.000 0.231 214 G HA3 -0.202 3.758 3.960 0.000 0.000 0.231 214 G C 0.378 175.319 174.900 0.068 0.000 0.984 214 G CA -0.188 44.952 45.100 0.067 0.000 0.660 214 G HN 0.857 nan 8.290 nan 0.000 0.525 215 G N -1.174 107.663 108.800 0.062 0.000 2.857 215 G HA2 0.704 4.664 3.960 0.000 0.000 0.217 215 G HA3 0.704 4.664 3.960 0.000 0.000 0.217 215 G C 0.819 175.719 174.900 -0.000 0.000 1.357 215 G CA 0.945 46.071 45.100 0.043 0.000 1.033 215 G HN 1.185 nan 8.290 nan 0.000 0.571 216 T N -3.556 110.986 114.554 -0.021 0.000 3.252 216 T HA 0.310 4.660 4.350 0.000 0.000 0.286 216 T C 1.707 176.368 174.700 -0.065 0.000 1.013 216 T CA 0.842 62.921 62.100 -0.036 0.000 0.914 216 T CB 0.730 69.582 68.868 -0.027 0.000 1.131 216 T HN 0.672 nan 8.240 nan 0.000 0.529 217 G N 2.533 111.282 108.800 -0.085 0.000 2.509 217 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 217 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 217 G C 1.114 175.954 174.900 -0.101 0.000 1.124 217 G CA 0.829 45.852 45.100 -0.128 0.000 0.776 217 G HN 0.692 nan 8.290 nan 0.000 0.547 218 D N -0.777 119.579 120.400 -0.073 0.000 2.328 218 D HA 0.107 4.747 4.640 0.000 0.000 0.221 218 D C 0.527 176.805 176.300 -0.036 0.000 1.072 218 D CA -0.441 53.526 54.000 -0.055 0.000 0.850 218 D CB -0.625 40.144 40.800 -0.053 0.000 0.922 218 D HN 0.121 nan 8.370 nan 0.000 0.516 219 C N -0.008 119.272 119.300 -0.034 0.000 2.562 219 C HA 0.459 4.919 4.460 0.000 0.000 0.332 219 C C 0.689 175.675 174.990 -0.007 0.000 1.201 219 C CA -0.953 58.052 59.018 -0.021 0.000 1.803 219 C CB 1.794 29.524 27.740 -0.015 0.000 2.328 219 C HN 0.078 nan 8.230 nan 0.000 0.500 220 K N 1.377 121.749 120.400 -0.046 0.000 3.129 220 K HA 0.316 4.636 4.320 0.000 0.000 0.241 220 K C -0.242 176.316 176.600 -0.071 0.000 1.239 220 K CA 0.093 56.302 56.287 -0.131 0.000 1.239 220 K CB -0.121 32.105 32.500 -0.457 0.000 1.347 220 K HN 0.620 nan 8.250 nan 0.000 0.435 221 M N -0.472 119.189 119.600 0.102 0.000 2.211 221 M HA 0.098 4.578 4.480 0.000 0.000 0.356 221 M C 1.598 178.113 176.300 0.359 0.000 1.216 221 M CA -0.089 55.308 55.300 0.162 0.000 1.134 221 M CB 1.376 34.023 32.600 0.079 0.000 1.564 221 M HN 0.389 nan 8.290 nan 0.000 0.463 222 G N 1.868 110.904 108.800 0.395 0.000 2.450 222 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 222 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 222 G C 1.323 176.444 174.900 0.368 0.000 1.130 222 G CA 0.987 46.377 45.100 0.483 0.000 0.760 222 G HN 0.991 nan 8.290 nan 0.000 0.557 223 G N 0.658 109.579 108.800 0.202 0.000 2.499 223 G HA2 -0.242 3.718 3.960 0.000 0.000 0.221 223 G HA3 -0.242 3.718 3.960 0.000 0.000 0.221 223 G C 1.569 176.477 174.900 0.014 0.000 1.109 223 G CA 1.016 46.177 45.100 0.102 0.000 0.749 223 G HN 0.596 nan 8.290 nan 0.000 0.568 224 N N -1.107 117.543 118.700 -0.085 0.000 2.459 224 N HA -0.012 4.728 4.740 0.000 0.000 0.181 224 N C 1.304 176.467 175.510 -0.578 0.000 1.046 224 N CA 0.689 53.481 53.050 -0.430 0.000 0.904 224 N CB -0.071 37.967 38.487 -0.747 0.000 0.964 224 N HN 0.521 nan 8.380 nan 0.000 0.444 225 Y N -1.019 119.325 120.300 0.074 0.000 2.558 225 Y HA 0.304 4.854 4.550 0.000 0.000 0.273 225 Y C 2.427 178.378 175.900 0.084 0.000 1.100 225 Y CA -0.112 58.044 58.100 0.093 0.000 1.276 225 Y CB -0.271 38.280 38.460 0.151 0.000 1.196 225 Y HN -0.039 nan 8.280 nan 0.000 0.527 226 G N 0.216 109.127 108.800 0.186 0.000 2.422 226 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 226 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 226 G C 1.609 176.573 174.900 0.108 0.000 1.146 226 G CA 1.322 46.502 45.100 0.133 0.000 0.769 226 G HN 0.422 nan 8.290 nan 0.000 0.547 227 S N 0.297 116.038 115.700 0.070 0.000 2.603 227 S HA 0.085 4.555 4.470 0.000 0.000 0.229 227 S C 2.032 176.704 174.600 0.120 0.000 0.972 227 S CA 1.061 59.294 58.200 0.056 0.000 0.935 227 S CB 0.215 63.412 63.200 -0.005 0.000 0.769 227 S HN 0.214 nan 8.310 nan 0.000 0.536 228 S N 1.105 116.909 115.700 0.173 0.000 2.475 228 S HA 0.267 4.737 4.470 0.000 0.000 0.224 228 S C 1.448 176.222 174.600 0.290 0.000 1.042 228 S CA -0.048 58.357 58.200 0.341 0.000 0.935 228 S CB -0.240 63.180 63.200 0.368 0.000 0.801 228 S HN 0.278 nan 8.310 nan 0.000 0.509 229 L N 0.983 122.328 121.223 0.203 0.000 2.079 229 L HA -0.018 4.322 4.340 0.000 0.000 0.210 229 L C 1.882 178.813 176.870 0.100 0.000 1.081 229 L CA 1.535 56.459 54.840 0.140 0.000 0.752 229 L CB -0.934 41.195 42.059 0.117 0.000 0.896 229 L HN 0.296 nan 8.230 nan 0.000 0.433 230 F N 0.087 120.021 119.950 -0.027 0.000 2.102 230 F HA -0.251 4.276 4.527 0.000 0.000 0.298 230 F C 2.377 178.072 175.800 -0.174 0.000 1.105 230 F CA 1.457 59.399 58.000 -0.097 0.000 1.239 230 F CB -0.315 38.609 39.000 -0.126 0.000 0.991 230 F HN 0.052 nan 8.300 nan 0.000 0.474 231 A N -0.322 122.479 122.820 -0.031 0.000 1.902 231 A HA -0.278 4.042 4.320 0.000 0.000 0.217 231 A C 2.060 179.582 177.584 -0.102 0.000 1.181 231 A CA 1.846 53.783 52.037 -0.166 0.000 0.623 231 A CB -1.029 17.875 19.000 -0.160 0.000 0.818 231 A HN 0.526 nan 8.150 nan 0.000 0.443 232 Q N -0.270 119.504 119.800 -0.043 0.000 2.084 232 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 232 Q C 1.980 177.905 176.000 -0.126 0.000 0.978 232 Q CA 2.383 58.157 55.803 -0.049 0.000 0.844 232 Q CB -1.068 27.685 28.738 0.025 0.000 0.898 232 Q HN 0.620 nan 8.270 nan 0.000 0.426 233 C N 0.462 119.655 119.300 -0.177 0.000 2.429 233 C HA -0.109 4.351 4.460 0.000 0.000 0.277 233 C C 2.519 177.311 174.990 -0.331 0.000 1.262 233 C CA 1.125 59.996 59.018 -0.245 0.000 1.733 233 C CB -0.944 26.622 27.740 -0.291 0.000 2.010 233 C HN 0.725 nan 8.230 nan 0.000 0.483 234 E N 0.777 120.731 120.200 -0.411 0.000 2.110 234 E HA -0.245 4.105 4.350 0.000 0.000 0.193 234 E C 1.520 177.733 176.600 -0.644 0.000 0.988 234 E CA 1.588 57.701 56.400 -0.479 0.000 0.804 234 E CB -0.172 29.330 29.700 -0.330 0.000 0.745 234 E HN 0.625 nan 8.360 nan 0.000 0.458 235 D N -0.553 119.586 120.400 -0.434 0.000 2.103 235 D HA -0.198 4.442 4.640 0.000 0.000 0.190 235 D C 1.942 178.035 176.300 -0.344 0.000 0.997 235 D CA 1.832 55.616 54.000 -0.360 0.000 0.833 235 D CB -0.132 40.602 40.800 -0.111 0.000 0.961 235 D HN 0.146 nan 8.370 nan 0.000 0.447 236 V N 0.351 120.123 119.914 -0.237 0.000 2.515 236 V HA -0.175 3.945 4.120 0.000 0.000 0.250 236 V C 1.177 177.149 176.094 -0.204 0.000 1.058 236 V CA 2.072 64.267 62.300 -0.175 0.000 1.064 236 V CB -0.496 31.256 31.823 -0.119 0.000 0.675 236 V HN 0.177 nan 8.190 nan 0.000 0.461 237 D N 0.666 120.904 120.400 -0.269 0.000 2.182 237 D HA -0.127 4.513 4.640 0.000 0.000 0.201 237 D C 1.540 177.682 176.300 -0.263 0.000 0.986 237 D CA 1.435 55.283 54.000 -0.253 0.000 0.847 237 D CB -0.322 40.305 40.800 -0.289 0.000 0.942 237 D HN 0.577 nan 8.370 nan 0.000 0.467 238 N N -0.510 117.959 118.700 -0.386 0.000 2.279 238 N HA 0.154 4.894 4.740 0.000 0.000 0.226 238 N C 0.895 176.312 175.510 -0.154 0.000 1.126 238 N CA 0.425 53.280 53.050 -0.325 0.000 0.846 238 N CB 1.451 39.548 38.487 -0.651 0.000 1.050 238 N HN 0.133 nan 8.380 nan 0.000 0.502 239 G N 0.691 109.416 108.800 -0.125 0.000 2.148 239 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 239 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 239 G C 0.257 175.147 174.900 -0.017 0.000 0.981 239 G CA 0.083 45.154 45.100 -0.048 0.000 0.670 239 G HN 0.402 nan 8.290 nan 0.000 0.528 240 C N -0.701 118.577 119.300 -0.037 0.000 2.351 240 C HA 0.695 5.155 4.460 0.000 0.000 0.359 240 C C 1.497 176.483 174.990 -0.007 0.000 1.193 240 C CA -0.237 58.794 59.018 0.022 0.000 2.270 240 C CB 1.723 29.529 27.740 0.110 0.000 2.369 240 C HN 0.559 nan 8.230 nan 0.000 0.553 241 Q N -0.268 119.541 119.800 0.015 0.000 2.402 241 Q HA 0.226 4.566 4.340 0.000 0.000 0.231 241 Q C 0.255 176.259 176.000 0.007 0.000 0.888 241 Q CA 0.902 56.708 55.803 0.005 0.000 0.938 241 Q CB 0.283 29.029 28.738 0.014 0.000 1.086 241 Q HN 0.608 nan 8.270 nan 0.000 0.543 242 Q N -0.846 118.964 119.800 0.016 0.000 2.511 242 Q HA 0.447 4.787 4.340 0.000 0.000 0.289 242 Q C -1.157 174.831 176.000 -0.019 0.000 1.021 242 Q CA -0.718 55.091 55.803 0.009 0.000 0.785 242 Q CB 2.418 31.172 28.738 0.026 0.000 1.472 242 Q HN -0.075 nan 8.270 nan 0.000 0.411 243 V N 1.814 121.661 119.914 -0.113 0.000 2.509 243 V HA 0.268 4.388 4.120 0.000 0.000 0.284 243 V C -0.242 175.623 176.094 -0.381 0.000 1.047 243 V CA -0.654 61.458 62.300 -0.314 0.000 0.952 243 V CB 1.304 32.688 31.823 -0.733 0.000 0.988 243 V HN 0.549 nan 8.190 nan 0.000 0.469 244 L N 5.963 127.017 121.223 -0.282 0.000 2.261 244 L HA 0.460 4.800 4.340 0.000 0.000 0.289 244 L C -0.802 175.951 176.870 -0.196 0.000 1.059 244 L CA -0.206 54.520 54.840 -0.190 0.000 0.816 244 L CB 0.426 42.411 42.059 -0.124 0.000 1.191 244 L HN 0.625 nan 8.230 nan 0.000 0.431 245 W N 6.808 128.151 121.300 0.070 0.000 2.437 245 W HA 0.430 5.090 4.660 0.000 0.000 0.312 245 W C -0.426 176.148 176.519 0.091 0.000 1.242 245 W CA -0.409 56.997 57.345 0.102 0.000 1.340 245 W CB 0.375 29.895 29.460 0.099 0.000 1.327 245 W HN 0.333 nan 8.180 nan 0.000 0.476 246 L N 4.223 125.649 121.223 0.337 0.000 2.322 246 L HA 0.510 4.851 4.340 0.000 0.000 0.279 246 L C -0.680 176.407 176.870 0.362 0.000 1.036 246 L CA -1.362 53.633 54.840 0.259 0.000 0.807 246 L CB 0.982 43.139 42.059 0.163 0.000 1.226 246 L HN 0.343 nan 8.230 nan 0.000 0.433 247 Y N 1.551 121.946 120.300 0.158 0.000 2.457 247 Y HA 0.667 5.217 4.550 0.000 0.000 0.343 247 Y C 0.207 176.134 175.900 0.045 0.000 0.994 247 Y CA 0.023 58.193 58.100 0.117 0.000 1.031 247 Y CB 1.962 40.447 38.460 0.040 0.000 1.246 247 Y HN 0.778 nan 8.280 nan 0.000 0.449 248 G N 4.804 113.117 108.800 -0.812 0.000 2.795 248 G HA2 -0.237 3.723 3.960 0.000 0.000 0.664 248 G HA3 -0.237 3.723 3.960 0.000 0.000 0.664 248 G C 0.347 175.001 174.900 -0.410 0.000 1.381 248 G CA -0.150 44.466 45.100 -0.805 0.000 0.853 248 G HN 1.138 nan 8.290 nan 0.000 0.545 249 R N -0.468 119.811 120.500 -0.367 0.000 2.120 249 R HA -0.057 4.283 4.340 0.000 0.000 0.234 249 R C 1.625 177.622 176.300 -0.505 0.000 1.123 249 R CA 2.118 58.000 56.100 -0.363 0.000 0.975 249 R CB -0.360 29.806 30.300 -0.222 0.000 0.866 249 R HN 0.618 nan 8.270 nan 0.000 0.446 250 D N -0.069 120.115 120.400 -0.360 0.000 2.340 250 D HA -0.108 4.532 4.640 0.000 0.000 0.220 250 D C -0.315 175.883 176.300 -0.170 0.000 1.039 250 D CA -0.050 53.800 54.000 -0.250 0.000 0.866 250 D CB -0.458 40.263 40.800 -0.131 0.000 0.913 250 D HN 0.307 nan 8.370 nan 0.000 0.523 251 H N 0.424 119.475 119.070 -0.031 0.000 2.750 251 H HA -0.161 4.395 4.556 0.000 0.000 0.327 251 H C -0.141 175.177 175.328 -0.015 0.000 1.199 251 H CA 0.799 56.842 56.048 -0.008 0.000 1.149 251 H CB -2.512 27.261 29.762 0.019 0.000 1.543 251 H HN 0.619 nan 8.280 nan 0.000 0.427 252 Q N 0.049 119.911 119.800 0.103 0.000 2.352 252 Q HA 0.475 4.815 4.340 0.000 0.000 0.260 252 Q C 0.266 176.328 176.000 0.104 0.000 0.976 252 Q CA -0.378 55.487 55.803 0.104 0.000 0.881 252 Q CB 1.387 30.212 28.738 0.144 0.000 1.235 252 Q HN 0.425 nan 8.270 nan 0.000 0.419 253 I N 3.270 123.858 120.570 0.029 0.000 2.352 253 I HA 0.030 4.200 4.170 0.000 0.000 0.290 253 I C 1.100 177.224 176.117 0.013 0.000 1.036 253 I CA 0.028 61.325 61.300 -0.005 0.000 1.336 253 I CB 1.286 39.228 38.000 -0.096 0.000 1.407 253 I HN 0.970 nan 8.210 nan 0.000 0.497 254 T N 1.845 116.439 114.554 0.066 0.000 3.286 254 T HA 0.328 4.678 4.350 0.000 0.000 0.237 254 T C 0.528 175.245 174.700 0.028 0.000 0.969 254 T CA -0.141 61.986 62.100 0.044 0.000 1.298 254 T CB 0.339 69.253 68.868 0.076 0.000 1.053 254 T HN 0.450 nan 8.240 nan 0.000 0.402 255 E N 0.934 121.220 120.200 0.143 0.000 2.367 255 E HA 0.543 4.893 4.350 0.000 0.000 0.273 255 E C -1.437 175.322 176.600 0.264 0.000 0.903 255 E CA -1.026 55.476 56.400 0.170 0.000 0.764 255 E CB 3.192 32.999 29.700 0.177 0.000 1.252 255 E HN 0.371 nan 8.360 nan 0.000 0.446 256 V N -0.513 119.513 119.914 0.186 0.000 2.293 256 V HA 0.672 4.792 4.120 0.000 0.000 0.275 256 V C 0.647 176.866 176.094 0.209 0.000 1.021 256 V CA 0.459 62.845 62.300 0.143 0.000 0.815 256 V CB -0.034 31.825 31.823 0.060 0.000 1.025 256 V HN 0.987 nan 8.190 nan 0.000 0.448 257 G N 5.399 114.368 108.800 0.281 0.000 2.629 257 G HA2 -0.357 3.603 3.960 0.000 0.000 0.313 257 G HA3 -0.357 3.603 3.960 0.000 0.000 0.313 257 G C 0.805 175.973 174.900 0.446 0.000 1.217 257 G CA 1.067 46.398 45.100 0.384 0.000 0.994 257 G HN 2.094 nan 8.290 nan 0.000 0.549 258 T N -1.346 113.390 114.554 0.303 0.000 3.251 258 T HA 0.689 5.040 4.350 0.000 0.000 0.259 258 T C 0.538 175.364 174.700 0.209 0.000 0.998 258 T CA 0.601 62.873 62.100 0.288 0.000 0.905 258 T CB -0.199 68.823 68.868 0.256 0.000 1.067 258 T HN 0.528 nan 8.240 nan 0.000 0.569 259 M N 1.421 121.135 119.600 0.190 0.000 2.591 259 M HA 0.455 4.935 4.480 0.000 0.000 0.306 259 M C -0.437 175.939 176.300 0.126 0.000 1.190 259 M CA -0.960 54.433 55.300 0.154 0.000 0.889 259 M CB 1.819 34.505 32.600 0.144 0.000 1.728 259 M HN -0.064 nan 8.290 nan 0.000 0.458 260 N N 1.625 120.390 118.700 0.107 0.000 2.503 260 N HA 0.306 5.046 4.740 0.000 0.000 0.267 260 N C -1.383 174.102 175.510 -0.041 0.000 1.214 260 N CA -0.224 52.832 53.050 0.009 0.000 0.959 260 N CB 1.105 39.587 38.487 -0.009 0.000 1.142 260 N HN 0.486 nan 8.380 nan 0.000 0.455 261 L N 2.520 123.604 121.223 -0.232 0.000 2.296 261 L HA 0.489 4.829 4.340 0.000 0.000 0.286 261 L C -1.346 175.179 176.870 -0.576 0.000 1.023 261 L CA -0.329 54.350 54.840 -0.269 0.000 0.812 261 L CB -0.024 41.916 42.059 -0.200 0.000 1.223 261 L HN 0.385 nan 8.230 nan 0.000 0.421 262 F N 5.111 124.780 119.950 -0.467 0.000 2.495 262 F HA 0.492 5.019 4.527 0.000 0.000 0.327 262 F C -0.050 175.360 175.800 -0.651 0.000 1.103 262 F CA -0.577 57.032 58.000 -0.652 0.000 0.949 262 F CB 2.105 40.450 39.000 -1.092 0.000 1.142 262 F HN 0.264 nan 8.300 nan 0.000 0.457 263 L N 4.314 125.361 121.223 -0.293 0.000 2.343 263 L HA 0.391 4.731 4.340 0.000 0.000 0.278 263 L C -1.681 175.146 176.870 -0.072 0.000 0.996 263 L CA -0.920 53.738 54.840 -0.302 0.000 0.831 263 L CB 1.310 43.011 42.059 -0.597 0.000 1.232 263 L HN 0.565 nan 8.230 nan 0.000 0.413 264 Y N 6.854 127.108 120.300 -0.077 0.000 2.385 264 Y HA 0.524 5.074 4.550 0.000 0.000 0.341 264 Y C -0.880 175.139 175.900 0.199 0.000 0.965 264 Y CA -1.092 57.045 58.100 0.061 0.000 1.180 264 Y CB 0.597 39.100 38.460 0.073 0.000 1.139 264 Y HN 0.562 nan 8.280 nan 0.000 0.502 265 W N 6.370 127.542 121.300 -0.213 0.000 2.937 265 W HA 0.517 5.177 4.660 0.000 0.000 0.360 265 W C -2.318 174.084 176.519 -0.195 0.000 1.215 265 W CA -2.313 54.904 57.345 -0.212 0.000 1.183 265 W CB 0.149 29.558 29.460 -0.084 0.000 1.458 265 W HN 0.338 nan 8.180 nan 0.000 0.574 266 I N 4.260 124.670 120.570 -0.266 0.000 2.312 266 I HA 0.083 4.253 4.170 0.000 0.000 0.291 266 I C 0.795 176.339 176.117 -0.954 0.000 1.031 266 I CA -0.464 60.569 61.300 -0.445 0.000 1.293 266 I CB 0.441 38.282 38.000 -0.265 0.000 1.403 266 I HN 0.408 nan 8.210 nan 0.000 0.484 267 N N 5.073 123.160 118.700 -1.022 0.000 2.328 267 N HA 0.010 4.750 4.740 0.000 0.000 0.277 267 N C 0.540 175.656 175.510 -0.656 0.000 1.286 267 N CA -0.158 52.164 53.050 -1.213 0.000 0.949 267 N CB 0.402 38.541 38.487 -0.580 0.000 1.136 267 N HN 0.389 nan 8.380 nan 0.000 0.550 268 E N -1.462 118.476 120.200 -0.437 0.000 2.208 268 E HA -0.053 4.297 4.350 0.000 0.000 0.193 268 E C 0.101 176.611 176.600 -0.150 0.000 0.988 268 E CA 1.004 57.266 56.400 -0.230 0.000 0.828 268 E CB -0.124 29.512 29.700 -0.107 0.000 0.763 268 E HN 0.533 nan 8.360 nan 0.000 0.478 269 D N -0.806 119.512 120.400 -0.136 0.000 2.328 269 D HA 0.130 4.771 4.640 0.000 0.000 0.226 269 D C 0.862 177.108 176.300 -0.090 0.000 1.066 269 D CA 0.696 54.646 54.000 -0.083 0.000 0.861 269 D CB 0.430 41.202 40.800 -0.047 0.000 0.912 269 D HN 0.239 nan 8.370 nan 0.000 0.521 270 G N 1.066 109.783 108.800 -0.138 0.000 2.143 270 G HA2 -0.297 3.663 3.960 0.000 0.000 0.248 270 G HA3 -0.297 3.663 3.960 0.000 0.000 0.248 270 G C 0.007 174.843 174.900 -0.106 0.000 0.991 270 G CA -0.168 44.858 45.100 -0.123 0.000 0.689 270 G HN 0.376 nan 8.290 nan 0.000 0.522 271 E N 0.231 120.362 120.200 -0.115 0.000 2.216 271 E HA 0.428 4.778 4.350 0.000 0.000 0.279 271 E C 0.156 176.710 176.600 -0.077 0.000 0.997 271 E CA -0.642 55.725 56.400 -0.056 0.000 0.817 271 E CB 1.377 31.073 29.700 -0.008 0.000 1.096 271 E HN 0.404 nan 8.360 nan 0.000 0.393 272 E N 2.673 122.870 120.200 -0.004 0.000 2.376 272 E HA -0.027 4.323 4.350 0.000 0.000 0.266 272 E C -0.742 175.962 176.600 0.172 0.000 1.009 272 E CA 0.356 56.768 56.400 0.020 0.000 0.902 272 E CB 0.636 30.379 29.700 0.072 0.000 0.972 272 E HN 0.407 nan 8.360 nan 0.000 0.439 273 E N 4.197 124.518 120.200 0.202 0.000 2.321 273 E HA 0.246 4.596 4.350 0.000 0.000 0.278 273 E C -1.858 175.037 176.600 0.491 0.000 0.902 273 E CA -0.915 55.713 56.400 0.380 0.000 0.758 273 E CB 1.174 31.078 29.700 0.340 0.000 1.213 273 E HN 0.358 nan 8.360 nan 0.000 0.426 274 L N 3.631 125.135 121.223 0.468 0.000 2.257 274 L HA 0.700 5.040 4.340 0.000 0.000 0.290 274 L C -1.122 175.926 176.870 0.297 0.000 1.044 274 L CA -0.055 55.007 54.840 0.369 0.000 0.810 274 L CB 0.906 43.187 42.059 0.369 0.000 1.193 274 L HN 0.587 nan 8.230 nan 0.000 0.425 275 A N 3.333 126.257 122.820 0.173 0.000 2.350 275 A HA 0.836 5.156 4.320 0.000 0.000 0.324 275 A C -0.482 177.014 177.584 -0.147 0.000 1.118 275 A CA -0.450 51.604 52.037 0.029 0.000 0.783 275 A CB 1.588 20.575 19.000 -0.022 0.000 1.236 275 A HN 0.625 nan 8.150 nan 0.000 0.457 276 T N 2.160 116.580 114.554 -0.223 0.000 2.956 276 T HA 0.634 4.984 4.350 0.000 0.000 0.312 276 T C -3.085 171.416 174.700 -0.331 0.000 1.151 276 T CA -1.266 60.566 62.100 -0.447 0.000 1.024 276 T CB 1.580 69.942 68.868 -0.843 0.000 1.140 276 T HN 0.336 nan 8.240 nan 0.000 0.473 277 P HA 0.230 nan 4.420 nan 0.000 0.266 277 P C -2.554 174.583 177.300 -0.272 0.000 1.195 277 P CA -0.802 62.139 63.100 -0.265 0.000 0.768 277 P CB -0.089 31.504 31.700 -0.179 0.000 0.838 278 P HA 0.183 nan 4.420 nan 0.000 0.276 278 P C -0.363 176.837 177.300 -0.166 0.000 1.252 278 P CA -0.184 62.754 63.100 -0.269 0.000 0.802 278 P CB 0.548 32.008 31.700 -0.401 0.000 1.035 279 L N 1.923 123.076 121.223 -0.117 0.000 2.480 279 L HA 0.111 4.451 4.340 0.000 0.000 0.243 279 L C 0.744 177.575 176.870 -0.065 0.000 1.315 279 L CA 0.169 54.958 54.840 -0.085 0.000 1.231 279 L CB -0.872 41.148 42.059 -0.065 0.000 1.444 279 L HN 0.403 nan 8.230 nan 0.000 0.409 280 D N -0.554 119.811 120.400 -0.060 0.000 2.340 280 D HA 0.114 4.754 4.640 0.000 0.000 0.217 280 D C 1.272 177.526 176.300 -0.077 0.000 1.081 280 D CA 0.564 54.543 54.000 -0.035 0.000 0.842 280 D CB 0.918 41.747 40.800 0.047 0.000 0.934 280 D HN 0.440 nan 8.370 nan 0.000 0.511 281 G N 1.192 109.934 108.800 -0.096 0.000 2.480 281 G HA2 -0.226 3.734 3.960 0.000 0.000 0.193 281 G HA3 -0.226 3.734 3.960 0.000 0.000 0.193 281 G C 0.794 175.611 174.900 -0.139 0.000 1.004 281 G CA 0.017 45.053 45.100 -0.106 0.000 0.696 281 G HN 0.494 nan 8.290 nan 0.000 0.478 282 I N -1.024 119.429 120.570 -0.195 0.000 3.976 282 I HA 0.667 4.837 4.170 0.000 0.000 0.337 282 I C 0.044 176.057 176.117 -0.173 0.000 1.359 282 I CA -0.349 60.813 61.300 -0.230 0.000 1.098 282 I CB 0.315 38.059 38.000 -0.426 0.000 1.027 282 I HN -0.014 nan 8.210 nan 0.000 0.394 283 I N 2.209 122.699 120.570 -0.133 0.000 2.433 283 I HA 0.291 4.461 4.170 0.000 0.000 0.292 283 I C -0.408 175.663 176.117 -0.076 0.000 1.001 283 I CA -0.702 60.536 61.300 -0.103 0.000 1.119 283 I CB 2.191 40.126 38.000 -0.109 0.000 1.289 283 I HN 0.070 nan 8.210 nan 0.000 0.438 284 L N 9.167 130.359 121.223 -0.052 0.000 2.418 284 L HA 0.341 4.681 4.340 0.000 0.000 0.274 284 L C -2.166 174.695 176.870 -0.016 0.000 1.135 284 L CA -1.349 53.478 54.840 -0.022 0.000 0.870 284 L CB 0.689 42.761 42.059 0.022 0.000 1.154 284 L HN 0.340 nan 8.230 nan 0.000 0.462 285 P HA 0.115 nan 4.420 nan 0.000 0.256 285 P C 0.210 177.515 177.300 0.008 0.000 1.688 285 P CA -0.209 62.882 63.100 -0.014 0.000 1.162 285 P CB 0.061 31.749 31.700 -0.020 0.000 1.870 286 G N 1.728 110.547 108.800 0.030 0.000 2.491 286 G HA2 0.149 4.109 3.960 0.000 0.000 0.238 286 G HA3 0.149 4.109 3.960 0.000 0.000 0.238 286 G C 1.298 176.228 174.900 0.050 0.000 1.277 286 G CA -0.391 44.746 45.100 0.061 0.000 0.851 286 G HN 0.349 nan 8.290 nan 0.000 0.573 287 V N 0.991 120.933 119.914 0.048 0.000 2.453 287 V HA -0.098 4.022 4.120 0.000 0.000 0.247 287 V C 2.436 178.547 176.094 0.028 0.000 1.048 287 V CA 2.587 64.890 62.300 0.006 0.000 1.049 287 V CB -0.987 30.828 31.823 -0.013 0.000 0.672 287 V HN 0.682 nan 8.190 nan 0.000 0.457 288 T N 0.614 115.230 114.554 0.104 0.000 2.684 288 T HA -0.203 4.147 4.350 0.000 0.000 0.267 288 T C 1.959 176.737 174.700 0.129 0.000 1.036 288 T CA 2.097 64.267 62.100 0.117 0.000 1.148 288 T CB -0.484 68.468 68.868 0.141 0.000 0.863 288 T HN 0.604 nan 8.240 nan 0.000 0.436 289 R N 1.102 121.729 120.500 0.212 0.000 2.094 289 R HA -0.201 4.139 4.340 0.000 0.000 0.239 289 R C 2.606 179.044 176.300 0.229 0.000 1.137 289 R CA 2.002 58.317 56.100 0.359 0.000 0.943 289 R CB -0.225 30.217 30.300 0.237 0.000 0.850 289 R HN 0.203 nan 8.270 nan 0.000 0.433 290 R N 0.436 120.989 120.500 0.087 0.000 2.096 290 R HA -0.152 4.188 4.340 0.000 0.000 0.240 290 R C 2.276 178.555 176.300 -0.035 0.000 1.139 290 R CA 2.438 58.547 56.100 0.015 0.000 0.952 290 R CB -1.060 29.206 30.300 -0.058 0.000 0.854 290 R HN 0.409 nan 8.270 nan 0.000 0.436 291 C N -0.142 119.071 119.300 -0.145 0.000 2.429 291 C HA -0.017 4.443 4.460 0.000 0.000 0.277 291 C C 2.592 177.586 174.990 0.006 0.000 1.262 291 C CA 0.780 59.654 59.018 -0.241 0.000 1.733 291 C CB -0.966 26.551 27.740 -0.372 0.000 2.010 291 C HN 0.550 nan 8.230 nan 0.000 0.483 292 I N 0.121 120.676 120.570 -0.026 0.000 2.179 292 I HA -0.202 3.969 4.170 0.000 0.000 0.242 292 I C 2.430 178.473 176.117 -0.125 0.000 1.088 292 I CA 1.196 62.416 61.300 -0.134 0.000 1.357 292 I CB -0.492 37.288 38.000 -0.367 0.000 1.051 292 I HN 0.209 nan 8.210 nan 0.000 0.409 293 L N 0.539 121.776 121.223 0.024 0.000 2.012 293 L HA -0.273 4.067 4.340 0.000 0.000 0.210 293 L C 2.153 179.041 176.870 0.030 0.000 1.073 293 L CA 1.940 56.803 54.840 0.038 0.000 0.748 293 L CB -1.282 40.873 42.059 0.159 0.000 0.891 293 L HN 0.240 nan 8.230 nan 0.000 0.431 294 D N -0.973 119.489 120.400 0.102 0.000 2.106 294 D HA -0.195 4.445 4.640 0.000 0.000 0.191 294 D C 2.269 178.547 176.300 -0.036 0.000 0.997 294 D CA 0.945 55.032 54.000 0.145 0.000 0.834 294 D CB -0.213 40.764 40.800 0.296 0.000 0.956 294 D HN 0.055 nan 8.370 nan 0.000 0.448 295 L N 0.900 122.009 121.223 -0.190 0.000 1.989 295 L HA -0.115 4.225 4.340 0.000 0.000 0.211 295 L C 2.420 178.552 176.870 -1.230 0.000 1.071 295 L CA 1.653 56.047 54.840 -0.743 0.000 0.749 295 L CB -1.378 40.187 42.059 -0.823 0.000 0.890 295 L HN -0.009 nan 8.230 nan 0.000 0.431 296 A N -1.766 120.544 122.820 -0.850 0.000 1.933 296 A HA -0.252 4.068 4.320 0.000 0.000 0.218 296 A C 2.168 179.520 177.584 -0.388 0.000 1.175 296 A CA 1.785 53.497 52.037 -0.541 0.000 0.628 296 A CB -0.892 18.024 19.000 -0.140 0.000 0.814 296 A HN 0.596 nan 8.150 nan 0.000 0.444 297 H N -1.358 117.584 119.070 -0.214 0.000 2.321 297 H HA -0.121 4.435 4.556 0.000 0.000 0.300 297 H C 2.426 177.678 175.328 -0.127 0.000 1.087 297 H CA 1.774 57.748 56.048 -0.124 0.000 1.319 297 H CB 0.031 29.754 29.762 -0.064 0.000 1.379 297 H HN 0.496 nan 8.280 nan 0.000 0.501 298 Q N -0.485 119.284 119.800 -0.053 0.000 2.124 298 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 298 Q C 1.721 177.753 176.000 0.053 0.000 0.977 298 Q CA 1.326 57.103 55.803 -0.044 0.000 0.850 298 Q CB -0.055 28.621 28.738 -0.104 0.000 0.901 298 Q HN 0.539 nan 8.270 nan 0.000 0.429 299 W N -0.205 121.045 121.300 -0.083 0.000 2.358 299 W HA 0.090 4.750 4.660 0.000 0.000 0.303 299 W C 1.352 177.778 176.519 -0.155 0.000 1.208 299 W CA 1.409 58.676 57.345 -0.130 0.000 1.274 299 W CB -1.115 28.231 29.460 -0.190 0.000 1.138 299 W HN 0.338 nan 8.180 nan 0.000 0.515 300 G N 0.635 109.442 108.800 0.012 0.000 2.283 300 G HA2 -0.350 3.610 3.960 0.000 0.000 0.280 300 G HA3 -0.350 3.610 3.960 0.000 0.000 0.280 300 G C 0.755 175.627 174.900 -0.046 0.000 1.029 300 G CA 0.750 45.834 45.100 -0.028 0.000 0.840 300 G HN 0.429 nan 8.290 nan 0.000 0.505 301 E N -1.544 118.560 120.200 -0.159 0.000 2.389 301 E HA 0.358 4.708 4.350 0.000 0.000 0.199 301 E C 0.662 177.329 176.600 0.111 0.000 0.978 301 E CA 0.590 56.973 56.400 -0.029 0.000 0.912 301 E CB 0.350 30.075 29.700 0.042 0.000 0.907 301 E HN 0.790 nan 8.360 nan 0.000 0.494 302 F N -1.187 118.876 119.950 0.188 0.000 2.662 302 F HA 0.481 5.008 4.527 0.000 0.000 0.312 302 F C -0.567 175.332 175.800 0.166 0.000 1.113 302 F CA -1.691 56.424 58.000 0.191 0.000 0.951 302 F CB 0.866 40.038 39.000 0.288 0.000 1.344 302 F HN -0.460 nan 8.300 nan 0.000 0.462 303 K N 1.293 121.932 120.400 0.399 0.000 2.401 303 K HA 0.477 4.797 4.320 0.000 0.000 0.278 303 K C -1.323 175.494 176.600 0.361 0.000 1.018 303 K CA -0.237 56.222 56.287 0.287 0.000 0.981 303 K CB 0.823 33.456 32.500 0.221 0.000 0.933 303 K HN 0.620 nan 8.250 nan 0.000 0.477 304 V N 3.309 123.349 119.914 0.210 0.000 2.378 304 V HA 0.236 4.356 4.120 0.000 0.000 0.288 304 V C -0.900 175.276 176.094 0.137 0.000 1.016 304 V CA -0.683 61.693 62.300 0.127 0.000 0.840 304 V CB 1.592 33.251 31.823 -0.274 0.000 0.994 304 V HN 0.752 nan 8.190 nan 0.000 0.431 305 S N 3.807 119.596 115.700 0.149 0.000 2.756 305 S HA 0.390 4.860 4.470 0.000 0.000 0.303 305 S C -0.441 174.184 174.600 0.043 0.000 1.135 305 S CA -0.781 57.487 58.200 0.114 0.000 1.066 305 S CB 1.160 64.446 63.200 0.143 0.000 1.008 305 S HN 0.777 nan 8.310 nan 0.000 0.482 306 E N 3.377 123.581 120.200 0.007 0.000 2.166 306 E HA 0.320 4.670 4.350 0.000 0.000 0.279 306 E C 0.264 176.770 176.600 -0.157 0.000 1.095 306 E CA -0.130 56.216 56.400 -0.091 0.000 0.888 306 E CB 0.408 30.058 29.700 -0.084 0.000 1.041 306 E HN 0.585 nan 8.360 nan 0.000 0.414 307 R N 1.733 122.097 120.500 -0.226 0.000 2.692 307 R HA 0.297 4.637 4.340 0.000 0.000 0.269 307 R C -1.324 174.781 176.300 -0.325 0.000 1.030 307 R CA -0.958 54.981 56.100 -0.267 0.000 0.882 307 R CB 0.487 30.761 30.300 -0.042 0.000 1.250 307 R HN 0.227 nan 8.270 nan 0.000 0.465 308 Y N 1.088 121.381 120.300 -0.011 0.000 2.425 308 Y HA 0.337 4.887 4.550 0.000 0.000 0.331 308 Y C -0.106 175.776 175.900 -0.029 0.000 1.157 308 Y CA -0.513 57.572 58.100 -0.024 0.000 1.372 308 Y CB 0.717 39.174 38.460 -0.005 0.000 1.253 308 Y HN 0.201 nan 8.280 nan 0.000 0.536 309 L N 3.481 124.750 121.223 0.077 0.000 2.406 309 L HA 0.413 4.753 4.340 0.000 0.000 0.272 309 L C -0.001 176.860 176.870 -0.016 0.000 0.980 309 L CA -0.700 54.114 54.840 -0.043 0.000 0.831 309 L CB 1.684 43.622 42.059 -0.203 0.000 1.253 309 L HN 0.798 nan 8.230 nan 0.000 0.406 310 T N -0.118 114.433 114.554 -0.004 0.000 2.948 310 T HA 0.413 4.763 4.350 0.000 0.000 0.285 310 T C 1.278 175.949 174.700 -0.047 0.000 1.019 310 T CA -0.779 61.321 62.100 0.001 0.000 1.013 310 T CB 1.099 69.988 68.868 0.036 0.000 1.117 310 T HN 0.337 nan 8.240 nan 0.000 0.533 311 M N 0.812 120.370 119.600 -0.071 0.000 2.159 311 M HA -0.054 4.426 4.480 0.000 0.000 0.263 311 M C 1.449 177.721 176.300 -0.046 0.000 1.063 311 M CA 1.507 56.707 55.300 -0.167 0.000 1.110 311 M CB -1.480 30.882 32.600 -0.397 0.000 1.374 311 M HN 0.690 nan 8.290 nan 0.000 0.411 312 D N 0.631 121.051 120.400 0.033 0.000 2.117 312 D HA -0.142 4.498 4.640 0.000 0.000 0.197 312 D C 1.591 177.937 176.300 0.078 0.000 0.987 312 D CA 1.086 55.126 54.000 0.067 0.000 0.829 312 D CB -0.322 40.526 40.800 0.081 0.000 0.961 312 D HN 0.278 nan 8.370 nan 0.000 0.460 313 D N 0.410 120.862 120.400 0.086 0.000 2.116 313 D HA -0.143 4.497 4.640 0.000 0.000 0.193 313 D C 2.198 178.615 176.300 0.195 0.000 0.998 313 D CA 0.385 54.486 54.000 0.168 0.000 0.836 313 D CB -0.349 40.549 40.800 0.164 0.000 0.951 313 D HN 0.196 nan 8.370 nan 0.000 0.449 314 L N 0.421 121.673 121.223 0.049 0.000 2.005 314 L HA -0.165 4.175 4.340 0.000 0.000 0.207 314 L C 2.370 179.278 176.870 0.063 0.000 1.072 314 L CA 1.333 56.180 54.840 0.011 0.000 0.744 314 L CB -0.492 41.507 42.059 -0.101 0.000 0.895 314 L HN 0.058 nan 8.230 nan 0.000 0.433 315 T N -0.973 113.605 114.554 0.041 0.000 2.665 315 T HA -0.232 4.118 4.350 0.000 0.000 0.268 315 T C 1.763 176.507 174.700 0.074 0.000 1.035 315 T CA 2.316 64.449 62.100 0.055 0.000 1.151 315 T CB -0.273 68.631 68.868 0.060 0.000 0.862 315 T HN 0.619 nan 8.240 nan 0.000 0.438 316 T N -0.068 114.538 114.554 0.088 0.000 3.023 316 T HA 0.253 4.603 4.350 0.000 0.000 0.266 316 T C 2.117 176.869 174.700 0.087 0.000 1.093 316 T CA 1.055 63.202 62.100 0.078 0.000 1.129 316 T CB -0.303 68.606 68.868 0.068 0.000 0.899 316 T HN 0.288 nan 8.240 nan 0.000 0.491 317 A N 1.407 124.314 122.820 0.146 0.000 1.929 317 A HA 0.263 4.583 4.320 0.000 0.000 0.216 317 A C 2.366 180.020 177.584 0.118 0.000 1.176 317 A CA 1.048 53.184 52.037 0.165 0.000 0.628 317 A CB -0.784 18.461 19.000 0.409 0.000 0.816 317 A HN 0.537 nan 8.150 nan 0.000 0.444 318 L N -0.719 120.569 121.223 0.107 0.000 2.056 318 L HA -0.188 4.152 4.340 0.000 0.000 0.207 318 L C 2.555 179.461 176.870 0.061 0.000 1.078 318 L CA 1.529 56.416 54.840 0.078 0.000 0.749 318 L CB -0.522 41.577 42.059 0.066 0.000 0.901 318 L HN 0.447 nan 8.230 nan 0.000 0.433 319 E N -0.058 120.175 120.200 0.055 0.000 2.085 319 E HA -0.195 4.155 4.350 0.000 0.000 0.194 319 E C 1.889 178.507 176.600 0.031 0.000 0.994 319 E CA 1.187 57.612 56.400 0.041 0.000 0.801 319 E CB -0.304 29.419 29.700 0.038 0.000 0.743 319 E HN 0.517 nan 8.360 nan 0.000 0.453 320 G N 0.255 109.071 108.800 0.028 0.000 3.262 320 G HA2 -0.104 3.856 3.960 0.000 0.000 0.228 320 G HA3 -0.104 3.856 3.960 0.000 0.000 0.228 320 G C -0.052 174.852 174.900 0.007 0.000 1.197 320 G CA -0.225 44.882 45.100 0.010 0.000 0.819 320 G HN 0.139 nan 8.290 nan 0.000 0.531 321 N N -0.376 118.338 118.700 0.023 0.000 2.721 321 N HA -0.174 4.566 4.740 0.000 0.000 0.249 321 N C 1.273 176.788 175.510 0.010 0.000 1.072 321 N CA 0.863 53.927 53.050 0.022 0.000 0.710 321 N CB -0.621 37.874 38.487 0.014 0.000 0.993 321 N HN 0.505 nan 8.380 nan 0.000 0.547 322 R N -0.461 120.050 120.500 0.020 0.000 2.280 322 R HA 0.159 4.499 4.340 0.000 0.000 0.195 322 R C 0.434 176.769 176.300 0.057 0.000 0.935 322 R CA 0.231 56.326 56.100 -0.007 0.000 1.033 322 R CB 0.655 30.918 30.300 -0.061 0.000 0.964 322 R HN -0.030 nan 8.270 nan 0.000 0.489 323 V N 1.813 121.792 119.914 0.108 0.000 2.498 323 V HA 0.137 4.257 4.120 0.000 0.000 0.279 323 V C 1.012 177.134 176.094 0.047 0.000 1.048 323 V CA -0.157 62.223 62.300 0.133 0.000 0.967 323 V CB 1.554 33.444 31.823 0.113 0.000 0.988 323 V HN 0.214 nan 8.190 nan 0.000 0.473 324 R N 2.607 123.115 120.500 0.013 0.000 2.064 324 R HA 0.345 4.685 4.340 0.000 0.000 0.210 324 R C 0.057 176.413 176.300 0.094 0.000 1.221 324 R CA 0.448 56.544 56.100 -0.007 0.000 1.055 324 R CB 0.478 30.659 30.300 -0.198 0.000 0.946 324 R HN 0.728 nan 8.270 nan 0.000 0.459 325 E N 0.010 120.316 120.200 0.177 0.000 2.356 325 E HA 0.423 4.773 4.350 0.000 0.000 0.275 325 E C -1.271 175.432 176.600 0.172 0.000 0.904 325 E CA -0.404 56.130 56.400 0.223 0.000 0.757 325 E CB 3.166 33.091 29.700 0.374 0.000 1.232 325 E HN -0.083 nan 8.360 nan 0.000 0.442 326 M N 3.603 123.275 119.600 0.120 0.000 2.327 326 M HA 0.580 5.060 4.480 0.000 0.000 0.298 326 M C -1.971 174.400 176.300 0.118 0.000 1.065 326 M CA -0.659 54.644 55.300 0.004 0.000 0.916 326 M CB 1.107 33.663 32.600 -0.073 0.000 1.630 326 M HN 0.609 nan 8.290 nan 0.000 0.442 327 F N 1.064 121.016 119.950 0.004 0.000 2.668 327 F HA 0.828 5.355 4.527 0.000 0.000 0.309 327 F C -0.999 174.850 175.800 0.082 0.000 1.117 327 F CA -0.935 57.058 58.000 -0.011 0.000 0.951 327 F CB 0.826 39.777 39.000 -0.081 0.000 1.323 327 F HN 0.523 nan 8.300 nan 0.000 0.451 328 S N 0.526 116.373 115.700 0.244 0.000 2.651 328 S HA 0.857 5.327 4.470 0.000 0.000 0.291 328 S C -0.614 174.186 174.600 0.333 0.000 1.141 328 S CA -0.222 58.109 58.200 0.219 0.000 1.027 328 S CB 1.417 64.700 63.200 0.139 0.000 1.043 328 S HN 1.247 nan 8.310 nan 0.000 0.530 329 S N -0.287 115.603 115.700 0.316 0.000 2.538 329 S HA 0.927 5.397 4.470 0.000 0.000 0.288 329 S C -0.255 174.472 174.600 0.211 0.000 1.108 329 S CA -0.459 57.915 58.200 0.290 0.000 0.971 329 S CB 1.283 64.709 63.200 0.377 0.000 1.041 329 S HN 1.597 nan 8.310 nan 0.000 0.483 330 G N 0.477 109.379 108.800 0.170 0.000 2.576 330 G HA2 0.476 4.436 3.960 0.000 0.000 0.290 330 G HA3 0.476 4.436 3.960 0.000 0.000 0.290 330 G C 0.131 175.121 174.900 0.149 0.000 1.442 330 G CA -0.293 44.898 45.100 0.152 0.000 0.792 330 G HN 0.545 nan 8.290 nan 0.000 0.491 331 T N 0.987 115.648 114.554 0.178 0.000 2.788 331 T HA -0.049 4.301 4.350 0.000 0.000 0.268 331 T C 2.744 177.572 174.700 0.214 0.000 1.044 331 T CA 2.495 64.728 62.100 0.223 0.000 1.139 331 T CB -0.309 68.741 68.868 0.303 0.000 0.867 331 T HN 0.869 nan 8.240 nan 0.000 0.454 332 A N 0.826 123.724 122.820 0.130 0.000 1.902 332 A HA -0.118 4.202 4.320 0.000 0.000 0.217 332 A C 2.652 180.264 177.584 0.048 0.000 1.181 332 A CA 1.792 53.837 52.037 0.013 0.000 0.623 332 A CB -0.913 17.874 19.000 -0.355 0.000 0.818 332 A HN 0.795 nan 8.150 nan 0.000 0.443 333 C N -4.536 114.802 119.300 0.063 0.000 3.188 333 C HA 0.508 4.968 4.460 0.000 0.000 0.315 333 C C 1.638 176.707 174.990 0.133 0.000 1.285 333 C CA 0.289 59.364 59.018 0.094 0.000 1.729 333 C CB -0.129 27.661 27.740 0.083 0.000 2.257 333 C HN 0.733 nan 8.230 nan 0.000 0.645 334 V N 0.095 120.084 119.914 0.124 0.000 0.588 334 V HA -0.243 3.877 4.120 0.000 0.000 0.092 334 V C 0.560 176.728 176.094 0.124 0.000 1.830 334 V CA 2.027 64.391 62.300 0.107 0.000 3.401 334 V CB -1.875 29.997 31.823 0.082 0.000 0.689 334 V HN 0.587 nan 8.190 nan 0.000 0.712 335 V N -0.933 119.065 119.914 0.141 0.000 2.760 335 V HA 0.710 4.830 4.120 0.000 0.000 0.309 335 V C -0.932 175.213 176.094 0.085 0.000 1.077 335 V CA 0.108 62.471 62.300 0.105 0.000 0.910 335 V CB 1.867 33.655 31.823 -0.058 0.000 1.008 335 V HN 0.795 nan 8.190 nan 0.000 0.424 336 C N 8.014 127.351 119.300 0.060 0.000 2.547 336 C HA 0.633 5.093 4.460 0.000 0.000 0.327 336 C C -2.795 172.171 174.990 -0.040 0.000 1.076 336 C CA -1.914 57.106 59.018 0.004 0.000 1.390 336 C CB 1.196 28.978 27.740 0.070 0.000 1.918 336 C HN 0.724 nan 8.230 nan 0.000 0.438 337 P HA 0.189 nan 4.420 nan 0.000 0.268 337 P C -0.787 176.482 177.300 -0.050 0.000 1.205 337 P CA 0.155 63.152 63.100 -0.172 0.000 0.771 337 P CB 0.614 32.100 31.700 -0.356 0.000 0.858 338 V N 2.581 122.486 119.914 -0.016 0.000 2.417 338 V HA 0.209 4.329 4.120 0.000 0.000 0.291 338 V C 1.193 177.247 176.094 -0.066 0.000 1.024 338 V CA 0.218 62.501 62.300 -0.027 0.000 0.861 338 V CB 1.323 33.130 31.823 -0.027 0.000 0.985 338 V HN 0.700 nan 8.190 nan 0.000 0.436 339 S N 1.801 117.458 115.700 -0.071 0.000 2.514 339 S HA 0.284 4.754 4.470 0.000 0.000 0.223 339 S C 0.237 174.704 174.600 -0.223 0.000 1.046 339 S CA -0.149 57.962 58.200 -0.149 0.000 0.914 339 S CB 0.407 63.590 63.200 -0.029 0.000 0.807 339 S HN 0.712 nan 8.310 nan 0.000 0.497 340 D N 0.300 120.653 120.400 -0.079 0.000 2.661 340 D HA 0.490 5.130 4.640 0.000 0.000 0.228 340 D C -1.488 174.808 176.300 -0.006 0.000 1.210 340 D CA -0.402 53.585 54.000 -0.022 0.000 0.826 340 D CB 2.251 43.094 40.800 0.072 0.000 1.542 340 D HN 0.176 nan 8.370 nan 0.000 0.447 341 I N 1.631 122.201 120.570 -0.001 0.000 2.466 341 I HA 0.258 4.428 4.170 0.000 0.000 0.289 341 I C -0.435 175.692 176.117 0.016 0.000 1.026 341 I CA -0.693 60.599 61.300 -0.012 0.000 1.078 341 I CB 2.031 39.989 38.000 -0.070 0.000 1.249 341 I HN 0.088 nan 8.210 nan 0.000 0.429 342 L N 6.938 128.168 121.223 0.012 0.000 2.257 342 L HA 0.458 4.798 4.340 0.000 0.000 0.290 342 L C -1.093 175.661 176.870 -0.192 0.000 1.044 342 L CA -0.564 54.258 54.840 -0.029 0.000 0.810 342 L CB 0.593 42.721 42.059 0.115 0.000 1.193 342 L HN 0.578 nan 8.230 nan 0.000 0.425 343 Y N 3.758 123.892 120.300 -0.278 0.000 2.401 343 Y HA 0.186 4.736 4.550 0.000 0.000 0.330 343 Y C 0.061 175.821 175.900 -0.235 0.000 1.071 343 Y CA -0.991 56.919 58.100 -0.316 0.000 1.049 343 Y CB 1.319 39.641 38.460 -0.231 0.000 1.239 343 Y HN 0.573 nan 8.280 nan 0.000 0.437 344 K N 4.454 124.436 120.400 -0.696 0.000 3.012 344 K HA -0.266 4.054 4.320 0.000 0.000 0.259 344 K C 0.856 177.294 176.600 -0.270 0.000 0.989 344 K CA 1.151 57.109 56.287 -0.550 0.000 0.728 344 K CB -1.685 30.404 32.500 -0.686 0.000 1.260 344 K HN 1.353 nan 8.250 nan 0.000 0.480 345 G N 0.161 108.851 108.800 -0.184 0.000 2.205 345 G HA2 -0.369 3.591 3.960 0.000 0.000 0.261 345 G HA3 -0.369 3.591 3.960 0.000 0.000 0.261 345 G C -0.084 174.797 174.900 -0.032 0.000 0.980 345 G CA 0.690 45.749 45.100 -0.068 0.000 0.632 345 G HN 0.577 nan 8.290 nan 0.000 0.533 346 E N 0.516 120.688 120.200 -0.047 0.000 2.242 346 E HA 0.597 4.947 4.350 0.000 0.000 0.275 346 E C -0.570 176.048 176.600 0.031 0.000 1.002 346 E CA -0.361 56.039 56.400 -0.000 0.000 0.841 346 E CB 0.875 30.576 29.700 0.002 0.000 1.109 346 E HN 0.039 nan 8.360 nan 0.000 0.394 347 T N 4.806 119.391 114.554 0.050 0.000 2.781 347 T HA 0.354 4.704 4.350 0.000 0.000 0.305 347 T C -0.054 174.693 174.700 0.080 0.000 1.001 347 T CA -0.352 61.791 62.100 0.072 0.000 0.950 347 T CB -0.136 68.781 68.868 0.081 0.000 0.955 347 T HN 0.341 nan 8.240 nan 0.000 0.471 348 I N 3.650 124.264 120.570 0.075 0.000 2.297 348 I HA 0.224 4.394 4.170 0.000 0.000 0.291 348 I C 0.468 176.635 176.117 0.085 0.000 1.033 348 I CA -0.741 60.603 61.300 0.074 0.000 1.253 348 I CB 0.505 38.532 38.000 0.045 0.000 1.396 348 I HN 0.590 nan 8.210 nan 0.000 0.476 349 H N 7.348 126.432 119.070 0.024 0.000 2.610 349 H HA 0.405 4.961 4.556 0.000 0.000 0.336 349 H C -0.675 174.666 175.328 0.022 0.000 1.087 349 H CA -0.186 55.877 56.048 0.024 0.000 1.405 349 H CB 0.732 30.510 29.762 0.025 0.000 1.460 349 H HN 0.314 nan 8.280 nan 0.000 0.538 350 I N 7.704 127.939 120.570 -0.557 0.000 2.362 350 I HA 0.190 4.360 4.170 0.000 0.000 0.289 350 I C -2.072 173.776 176.117 -0.448 0.000 0.994 350 I CA -2.808 58.289 61.300 -0.339 0.000 1.158 350 I CB 1.548 39.427 38.000 -0.202 0.000 1.315 350 I HN 0.652 nan 8.210 nan 0.000 0.451 351 P HA 0.067 nan 4.420 nan 0.000 0.259 351 P C 0.960 178.277 177.300 0.029 0.000 1.480 351 P CA 0.179 63.298 63.100 0.032 0.000 0.842 351 P CB -0.083 31.674 31.700 0.094 0.000 1.513 352 T N 0.093 114.634 114.554 -0.021 0.000 2.665 352 T HA -0.141 4.209 4.350 0.000 0.000 0.268 352 T C 1.772 176.495 174.700 0.039 0.000 1.035 352 T CA 1.454 63.566 62.100 0.020 0.000 1.151 352 T CB -0.355 68.510 68.868 -0.005 0.000 0.862 352 T HN 0.076 nan 8.240 nan 0.000 0.438 353 M N 1.457 121.083 119.600 0.044 0.000 2.349 353 M HA 0.033 4.513 4.480 0.000 0.000 0.266 353 M C 1.987 178.338 176.300 0.085 0.000 1.076 353 M CA 0.970 56.312 55.300 0.070 0.000 1.126 353 M CB -0.808 31.843 32.600 0.084 0.000 1.392 353 M HN 0.388 nan 8.290 nan 0.000 0.440 354 E N -0.913 119.345 120.200 0.097 0.000 2.489 354 E HA 0.018 4.368 4.350 0.000 0.000 0.193 354 E C 0.199 176.842 176.600 0.071 0.000 1.057 354 E CA 0.274 56.726 56.400 0.086 0.000 0.866 354 E CB -0.531 29.227 29.700 0.097 0.000 0.916 354 E HN 0.432 nan 8.360 nan 0.000 0.500 355 N N 0.536 119.280 118.700 0.073 0.000 2.328 355 N HA 0.166 4.907 4.740 0.000 0.000 0.247 355 N C 0.663 176.220 175.510 0.078 0.000 1.165 355 N CA 0.621 53.714 53.050 0.072 0.000 0.873 355 N CB 1.511 40.044 38.487 0.077 0.000 1.125 355 N HN 0.396 nan 8.380 nan 0.000 0.513 356 G N 1.503 110.347 108.800 0.073 0.000 2.992 356 G HA2 -0.192 3.768 3.960 0.000 0.000 0.229 356 G HA3 -0.192 3.768 3.960 0.000 0.000 0.229 356 G C -2.429 172.530 174.900 0.098 0.000 1.969 356 G CA -0.626 44.520 45.100 0.076 0.000 1.603 356 G HN 0.263 nan 8.290 nan 0.000 0.573 357 P HA 0.396 nan 4.420 nan 0.000 0.281 357 P C 0.439 177.772 177.300 0.054 0.000 1.286 357 P CA 0.023 63.157 63.100 0.056 0.000 0.772 357 P CB 1.590 33.269 31.700 -0.034 0.000 0.862 358 K N 1.677 122.116 120.400 0.065 0.000 2.009 358 K HA -0.158 4.162 4.320 0.000 0.000 0.210 358 K C 1.739 178.329 176.600 -0.016 0.000 1.049 358 K CA 1.230 57.542 56.287 0.043 0.000 0.929 358 K CB -0.376 32.168 32.500 0.074 0.000 0.714 358 K HN 0.268 nan 8.250 nan 0.000 0.440 359 L N 0.884 122.073 121.223 -0.057 0.000 2.072 359 L HA -0.049 4.291 4.340 0.000 0.000 0.205 359 L C 2.180 178.892 176.870 -0.264 0.000 1.079 359 L CA 1.656 56.385 54.840 -0.185 0.000 0.752 359 L CB -0.638 41.151 42.059 -0.449 0.000 0.906 359 L HN 0.131 nan 8.230 nan 0.000 0.436 360 A N -1.226 121.345 122.820 -0.413 0.000 1.883 360 A HA -0.233 4.087 4.320 0.000 0.000 0.217 360 A C 2.395 179.902 177.584 -0.128 0.000 1.186 360 A CA 2.237 53.895 52.037 -0.633 0.000 0.624 360 A CB -1.070 17.485 19.000 -0.741 0.000 0.822 360 A HN 0.533 nan 8.150 nan 0.000 0.444 361 S N -1.023 114.729 115.700 0.088 0.000 2.368 361 S HA -0.172 4.298 4.470 0.000 0.000 0.225 361 S C 2.088 176.716 174.600 0.048 0.000 1.030 361 S CA 1.373 59.677 58.200 0.174 0.000 0.999 361 S CB -0.349 62.925 63.200 0.123 0.000 0.844 361 S HN 0.655 nan 8.310 nan 0.000 0.459 362 R N 0.834 121.333 120.500 -0.002 0.000 2.073 362 R HA -0.052 4.288 4.340 0.000 0.000 0.234 362 R C 2.168 178.522 176.300 0.091 0.000 1.134 362 R CA 1.443 57.536 56.100 -0.012 0.000 0.952 362 R CB -0.404 29.829 30.300 -0.111 0.000 0.850 362 R HN 0.380 nan 8.270 nan 0.000 0.433 363 I N 0.781 121.417 120.570 0.109 0.000 2.142 363 I HA -0.318 3.852 4.170 0.000 0.000 0.240 363 I C 2.522 178.688 176.117 0.083 0.000 1.078 363 I CA 1.028 62.409 61.300 0.135 0.000 1.343 363 I CB -0.332 37.652 38.000 -0.026 0.000 1.046 363 I HN 0.307 nan 8.210 nan 0.000 0.405 364 L N 0.223 121.481 121.223 0.058 0.000 2.013 364 L HA -0.269 4.071 4.340 0.000 0.000 0.212 364 L C 2.694 179.585 176.870 0.034 0.000 1.073 364 L CA 1.930 56.811 54.840 0.068 0.000 0.753 364 L CB -0.290 41.847 42.059 0.130 0.000 0.890 364 L HN 0.267 nan 8.230 nan 0.000 0.432 365 S N -0.364 115.352 115.700 0.026 0.000 2.359 365 S HA -0.181 4.289 4.470 0.000 0.000 0.224 365 S C 1.887 176.517 174.600 0.049 0.000 1.035 365 S CA 1.070 59.279 58.200 0.015 0.000 1.018 365 S CB -0.139 63.060 63.200 -0.002 0.000 0.876 365 S HN 0.307 nan 8.310 nan 0.000 0.448 366 K N 1.252 121.712 120.400 0.100 0.000 2.001 366 K HA -0.038 4.282 4.320 0.000 0.000 0.214 366 K C 2.084 178.762 176.600 0.130 0.000 1.050 366 K CA 1.324 57.702 56.287 0.152 0.000 0.934 366 K CB -0.943 31.729 32.500 0.287 0.000 0.718 366 K HN 0.352 nan 8.250 nan 0.000 0.443 367 L N 0.543 121.832 121.223 0.110 0.000 2.046 367 L HA -0.171 4.169 4.340 0.000 0.000 0.208 367 L C 2.454 179.262 176.870 -0.103 0.000 1.077 367 L CA 1.397 56.255 54.840 0.030 0.000 0.747 367 L CB -0.786 41.251 42.059 -0.037 0.000 0.896 367 L HN 0.204 nan 8.230 nan 0.000 0.432 368 T N -0.802 113.726 114.554 -0.043 0.000 2.684 368 T HA -0.202 4.148 4.350 0.000 0.000 0.267 368 T C 1.450 176.201 174.700 0.085 0.000 1.036 368 T CA 1.681 63.795 62.100 0.024 0.000 1.148 368 T CB -0.287 68.615 68.868 0.057 0.000 0.863 368 T HN 0.305 nan 8.240 nan 0.000 0.436 369 D N 0.775 121.209 120.400 0.057 0.000 2.117 369 D HA -0.009 4.631 4.640 0.000 0.000 0.197 369 D C 2.047 178.384 176.300 0.061 0.000 0.987 369 D CA 0.715 54.754 54.000 0.065 0.000 0.829 369 D CB -0.369 40.459 40.800 0.047 0.000 0.961 369 D HN 0.380 nan 8.370 nan 0.000 0.460 370 I N 0.547 121.152 120.570 0.059 0.000 2.202 370 I HA -0.270 3.900 4.170 0.000 0.000 0.242 370 I C 2.394 178.526 176.117 0.025 0.000 1.091 370 I CA 1.056 62.413 61.300 0.096 0.000 1.368 370 I CB -0.228 37.925 38.000 0.255 0.000 1.058 370 I HN -0.044 nan 8.210 nan 0.000 0.410 371 Q N -0.213 119.464 119.800 -0.204 0.000 2.124 371 Q HA -0.195 4.146 4.340 0.000 0.000 0.202 371 Q C 1.401 177.057 176.000 -0.573 0.000 0.977 371 Q CA 1.664 57.076 55.803 -0.651 0.000 0.850 371 Q CB -0.096 27.663 28.738 -1.631 0.000 0.901 371 Q HN 0.556 nan 8.270 nan 0.000 0.429 372 Y N -0.882 119.298 120.300 -0.200 0.000 2.470 372 Y HA 0.225 4.775 4.550 0.000 0.000 0.284 372 Y C 1.311 177.208 175.900 -0.004 0.000 1.188 372 Y CA 0.235 58.302 58.100 -0.055 0.000 1.269 372 Y CB 0.606 39.041 38.460 -0.042 0.000 1.094 372 Y HN 0.200 nan 8.280 nan 0.000 0.518 373 G N 0.598 109.450 108.800 0.087 0.000 2.166 373 G HA2 -0.377 3.583 3.960 0.000 0.000 0.260 373 G HA3 -0.377 3.583 3.960 0.000 0.000 0.260 373 G C 1.330 176.272 174.900 0.070 0.000 0.986 373 G CA 0.497 45.642 45.100 0.076 0.000 0.683 373 G HN 0.465 nan 8.290 nan 0.000 0.527 374 R N 0.067 120.613 120.500 0.077 0.000 2.235 374 R HA 0.112 4.452 4.340 0.000 0.000 0.213 374 R C 0.966 177.287 176.300 0.035 0.000 1.059 374 R CA 1.265 57.396 56.100 0.052 0.000 0.997 374 R CB 0.232 30.560 30.300 0.047 0.000 0.884 374 R HN 0.645 nan 8.270 nan 0.000 0.462 375 E N 0.647 120.869 120.200 0.036 0.000 2.290 375 E HA 0.128 4.478 4.350 0.000 0.000 0.274 375 E C -1.425 175.183 176.600 0.014 0.000 0.889 375 E CA -0.449 55.963 56.400 0.020 0.000 0.760 375 E CB 1.595 31.308 29.700 0.021 0.000 1.206 375 E HN 0.008 nan 8.360 nan 0.000 0.419 376 E N 1.609 121.807 120.200 -0.004 0.000 2.289 376 E HA 0.386 4.737 4.350 0.000 0.000 0.278 376 E C -0.981 175.586 176.600 -0.055 0.000 1.032 376 E CA -0.156 56.235 56.400 -0.015 0.000 0.854 376 E CB 1.749 31.439 29.700 -0.017 0.000 1.046 376 E HN 0.205 nan 8.360 nan 0.000 0.409 377 S N 0.989 116.653 115.700 -0.060 0.000 2.537 377 S HA 0.031 4.501 4.470 0.000 0.000 0.271 377 S C -0.300 174.245 174.600 -0.092 0.000 1.148 377 S CA -0.821 57.286 58.200 -0.155 0.000 0.868 377 S CB 0.960 64.012 63.200 -0.247 0.000 1.115 377 S HN 0.693 nan 8.310 nan 0.000 0.461 378 D N 1.403 121.722 120.400 -0.135 0.000 2.378 378 D HA -0.096 4.544 4.640 0.000 0.000 0.222 378 D C 0.974 177.327 176.300 0.089 0.000 0.980 378 D CA 0.566 54.549 54.000 -0.028 0.000 0.907 378 D CB -0.081 40.700 40.800 -0.030 0.000 0.899 378 D HN 0.565 nan 8.370 nan 0.000 0.527 379 W N 2.160 123.389 121.300 -0.119 0.000 2.611 379 W HA 0.067 4.727 4.660 0.000 0.000 0.251 379 W C 0.694 177.062 176.519 -0.251 0.000 1.265 379 W CA 0.460 57.642 57.345 -0.270 0.000 1.295 379 W CB -1.022 28.204 29.460 -0.391 0.000 1.129 379 W HN -0.012 nan 8.180 nan 0.000 0.630 380 T N -0.924 113.709 114.554 0.131 0.000 2.855 380 T HA 0.662 5.013 4.350 0.000 0.000 0.281 380 T C -0.499 174.250 174.700 0.081 0.000 1.007 380 T CA -0.704 61.473 62.100 0.129 0.000 1.009 380 T CB 2.491 71.464 68.868 0.175 0.000 0.983 380 T HN -0.257 nan 8.240 nan 0.000 0.455 381 I N 2.714 123.332 120.570 0.080 0.000 2.436 381 I HA 0.331 4.501 4.170 0.000 0.000 0.289 381 I C 0.009 176.164 176.117 0.064 0.000 1.010 381 I CA -1.261 60.073 61.300 0.056 0.000 1.098 381 I CB 1.667 39.689 38.000 0.038 0.000 1.266 381 I HN 0.524 nan 8.210 nan 0.000 0.434 382 V N 6.285 126.230 119.914 0.052 0.000 2.521 382 V HA 0.048 4.168 4.120 0.000 0.000 0.286 382 V C 0.389 176.506 176.094 0.039 0.000 1.034 382 V CA -0.721 61.608 62.300 0.049 0.000 1.045 382 V CB 0.871 32.719 31.823 0.041 0.000 0.974 382 V HN 0.527 nan 8.190 nan 0.000 0.480 383 L N 4.450 125.696 121.223 0.038 0.000 2.490 383 L HA 0.374 4.714 4.340 0.000 0.000 0.274 383 L C 0.385 177.269 176.870 0.023 0.000 1.201 383 L CA 0.224 55.081 54.840 0.028 0.000 0.869 383 L CB -0.969 41.105 42.059 0.026 0.000 1.123 383 L HN 0.500 nan 8.230 nan 0.000 0.484 384 S N 0.000 115.710 115.700 0.017 0.000 2.498 384 S HA 0.000 4.470 4.470 0.000 0.000 0.327 384 S CA 0.000 58.208 58.200 0.013 0.000 1.107 384 S CB 0.000 63.205 63.200 0.009 0.000 0.593 384 S HN 0.000 nan 8.310 nan 0.000 0.517