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 3c0b_1_C DATA FIRST_RESID 2 DATA SEQUENCE ILGIDIGGAN TKITELHENG EFKVHHLYFP XXXXXDKLAE VLKTYSNDVS DATA SEQUENCE HVALVTTAEX XXXXXXXXEG VDNILNAAES AFGSNISVFD SNGNFISLES DATA SEQUENCE AKTNNXKVSA SNWCGTAKWV SKNIEENCIL VDXGSTTTDI IPIVEGKVVA DATA SEQUENCE EKTDLERLXN HELLYVGTLR TPISHLGNTI SFKGVDTNVS SEYFAITADI DATA SEQUENCE SVVLEKVTTE EYTCDTPDGK GTDKRSSLVR ISKVLCSDLD QISEIDAENI DATA SEQUENCE AKNYYELWKE LILENVENVA EKYGSKKVVI TGLGENILKD ALADFEVISV DATA SEQUENCE AERYGKDVSL ATPSFAVAEL LKNELLEHH 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 175.971 176.117 -0.244 0.000 1.063 2 I CA 0.000 61.163 61.300 -0.228 0.000 1.566 2 I CB 0.000 37.867 38.000 -0.221 0.000 1.214 3 L N 4.705 125.773 121.223 -0.259 0.000 2.307 3 L HA 0.700 5.040 4.340 -0.000 0.000 0.284 3 L C 0.475 177.197 176.870 -0.247 0.000 1.023 3 L CA -0.525 54.160 54.840 -0.258 0.000 0.810 3 L CB 1.837 43.693 42.059 -0.338 0.000 1.231 3 L HN 0.743 nan 8.230 nan 0.000 0.423 4 G N 4.945 113.619 108.800 -0.210 0.000 2.384 4 G HA2 0.572 4.532 3.960 -0.000 0.000 0.316 4 G HA3 0.572 4.532 3.960 -0.000 0.000 0.316 4 G C -0.585 174.243 174.900 -0.120 0.000 1.160 4 G CA -0.319 44.671 45.100 -0.184 0.000 0.936 4 G HN 0.273 nan 8.290 nan 0.000 0.455 5 I N 2.552 123.090 120.570 -0.054 0.000 2.362 5 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 5 I C -0.980 175.140 176.117 0.005 0.000 0.994 5 I CA -1.293 60.029 61.300 0.036 0.000 1.158 5 I CB 1.722 39.844 38.000 0.203 0.000 1.315 5 I HN 0.436 nan 8.210 nan 0.000 0.451 6 D N 7.188 127.576 120.400 -0.020 0.000 2.462 6 D HA 0.280 4.920 4.640 -0.000 0.000 0.249 6 D C -0.478 175.816 176.300 -0.011 0.000 1.117 6 D CA -0.337 53.624 54.000 -0.065 0.000 0.900 6 D CB 0.739 41.490 40.800 -0.081 0.000 1.039 6 D HN 0.497 nan 8.370 nan 0.000 0.516 7 I N 2.561 123.117 120.570 -0.024 0.000 2.396 7 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 7 I C 0.652 176.774 176.117 0.007 0.000 1.056 7 I CA -0.139 61.189 61.300 0.047 0.000 1.365 7 I CB 0.825 38.884 38.000 0.098 0.000 1.407 7 I HN 0.541 nan 8.210 nan 0.000 0.509 8 G N 4.363 113.184 108.800 0.034 0.000 3.936 8 G HA2 0.396 4.356 3.960 -0.000 0.000 0.296 8 G HA3 0.396 4.356 3.960 -0.000 0.000 0.296 8 G C 0.927 175.830 174.900 0.005 0.000 1.121 8 G CA 0.199 45.310 45.100 0.019 0.000 0.899 8 G HN 1.156 nan 8.290 nan 0.000 0.542 9 G N -0.061 108.722 108.800 -0.027 0.000 2.746 9 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 9 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 9 G C 1.302 176.117 174.900 -0.142 0.000 1.172 9 G CA 1.516 46.569 45.100 -0.079 0.000 0.736 9 G HN 1.496 nan 8.290 nan 0.000 0.519 10 A N -1.308 121.478 122.820 -0.057 0.000 1.933 10 A HA 0.495 4.815 4.320 -0.000 0.000 0.198 10 A C 0.766 178.411 177.584 0.101 0.000 1.617 10 A CA 0.916 52.925 52.037 -0.046 0.000 1.039 10 A CB 0.444 19.498 19.000 0.090 0.000 1.066 10 A HN 0.351 nan 8.150 nan 0.000 0.484 11 N N 1.786 120.586 118.700 0.167 0.000 2.518 11 N HA 0.338 5.078 4.740 -0.000 0.000 0.254 11 N C -1.067 174.551 175.510 0.181 0.000 0.979 11 N CA 0.289 53.482 53.050 0.238 0.000 0.930 11 N CB 1.517 40.138 38.487 0.225 0.000 1.152 11 N HN 0.455 nan 8.380 nan 0.000 0.505 12 T N -0.180 114.514 114.554 0.233 0.000 2.824 12 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 12 T C -0.133 174.646 174.700 0.133 0.000 0.995 12 T CA -0.636 61.577 62.100 0.187 0.000 1.009 12 T CB 1.679 70.715 68.868 0.279 0.000 0.955 12 T HN 0.191 nan 8.240 nan 0.000 0.452 13 K N 2.469 122.904 120.400 0.058 0.000 2.270 13 K HA 0.660 4.980 4.320 -0.000 0.000 0.255 13 K C -1.229 175.367 176.600 -0.006 0.000 0.936 13 K CA -0.828 55.448 56.287 -0.018 0.000 0.809 13 K CB 1.785 34.221 32.500 -0.106 0.000 1.131 13 K HN 0.483 nan 8.250 nan 0.000 0.427 14 I N 1.420 121.996 120.570 0.010 0.000 2.465 14 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 14 I C -0.473 175.640 176.117 -0.008 0.000 1.014 14 I CA -0.268 61.049 61.300 0.028 0.000 1.093 14 I CB 2.315 40.382 38.000 0.112 0.000 1.267 14 I HN 0.466 nan 8.210 nan 0.000 0.431 15 T N 4.923 119.440 114.554 -0.062 0.000 2.792 15 T HA 0.390 4.740 4.350 -0.000 0.000 0.280 15 T C -0.403 174.234 174.700 -0.105 0.000 0.990 15 T CA -0.675 61.379 62.100 -0.076 0.000 0.960 15 T CB 0.852 69.648 68.868 -0.119 0.000 0.939 15 T HN 0.424 nan 8.240 nan 0.000 0.439 16 E N 2.284 122.434 120.200 -0.083 0.000 2.115 16 E HA 0.378 4.728 4.350 -0.000 0.000 0.282 16 E C -0.974 175.487 176.600 -0.232 0.000 0.987 16 E CA -0.691 55.616 56.400 -0.156 0.000 0.797 16 E CB 1.026 30.666 29.700 -0.100 0.000 1.086 16 E HN 0.218 nan 8.360 nan 0.000 0.397 17 L N 5.002 126.042 121.223 -0.306 0.000 2.319 17 L HA 0.278 4.618 4.340 -0.000 0.000 0.281 17 L C -0.786 175.909 176.870 -0.291 0.000 1.005 17 L CA -0.527 54.161 54.840 -0.253 0.000 0.828 17 L CB 0.586 42.485 42.059 -0.267 0.000 1.227 17 L HN 0.535 nan 8.230 nan 0.000 0.415 18 H N 2.581 121.667 119.070 0.027 0.000 2.509 18 H HA 0.231 4.787 4.556 -0.000 0.000 0.359 18 H C 0.360 175.691 175.328 0.004 0.000 1.253 18 H CA -0.311 55.742 56.048 0.009 0.000 1.373 18 H CB 1.007 30.794 29.762 0.043 0.000 1.555 18 H HN 0.589 nan 8.280 nan 0.000 0.586 19 E N 0.686 120.973 120.200 0.145 0.000 2.118 19 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 19 E C 1.297 177.946 176.600 0.082 0.000 0.992 19 E CA 1.409 57.852 56.400 0.072 0.000 0.804 19 E CB -0.024 29.704 29.700 0.048 0.000 0.741 19 E HN 0.543 nan 8.360 nan 0.000 0.458 20 N N -0.501 118.264 118.700 0.108 0.000 2.370 20 N HA 0.043 4.783 4.740 -0.000 0.000 0.198 20 N C 0.979 176.567 175.510 0.130 0.000 1.156 20 N CA 0.840 53.949 53.050 0.097 0.000 0.839 20 N CB 0.561 39.094 38.487 0.077 0.000 0.989 20 N HN 0.199 nan 8.380 nan 0.000 0.468 21 G N -0.346 108.548 108.800 0.156 0.000 2.195 21 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.246 21 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.246 21 G C -0.221 174.874 174.900 0.325 0.000 0.984 21 G CA 0.173 45.396 45.100 0.205 0.000 0.633 21 G HN 0.649 nan 8.290 nan 0.000 0.525 22 E N 0.216 120.590 120.200 0.289 0.000 2.398 22 E HA 0.521 4.871 4.350 -0.000 0.000 0.263 22 E C 0.140 176.966 176.600 0.376 0.000 1.046 22 E CA -0.259 56.319 56.400 0.297 0.000 0.908 22 E CB 0.116 29.971 29.700 0.259 0.000 0.963 22 E HN 0.827 nan 8.360 nan 0.000 0.431 23 F N 1.365 121.405 119.950 0.150 0.000 2.668 23 F HA 0.662 5.189 4.527 0.000 0.000 0.309 23 F C -1.519 174.309 175.800 0.046 0.000 1.117 23 F CA -1.345 56.686 58.000 0.051 0.000 0.951 23 F CB 1.224 40.281 39.000 0.097 0.000 1.323 23 F HN 0.201 nan 8.300 nan 0.000 0.451 24 K N 1.780 122.232 120.400 0.087 0.000 2.535 24 K HA 0.691 5.011 4.320 -0.000 0.000 0.250 24 K C -2.224 174.283 176.600 -0.154 0.000 0.948 24 K CA -0.613 55.620 56.287 -0.090 0.000 0.796 24 K CB 2.088 34.508 32.500 -0.132 0.000 1.216 24 K HN 0.714 nan 8.250 nan 0.000 0.432 25 V N 5.312 125.156 119.914 -0.118 0.000 2.427 25 V HA 0.462 4.582 4.120 -0.000 0.000 0.286 25 V C -0.385 175.539 176.094 -0.284 0.000 1.034 25 V CA -0.683 61.532 62.300 -0.143 0.000 0.893 25 V CB 1.230 33.060 31.823 0.012 0.000 0.982 25 V HN 0.724 nan 8.190 nan 0.000 0.452 26 H N 2.939 122.010 119.070 0.001 0.000 2.495 26 H HA 0.583 5.139 4.556 -0.000 0.000 0.348 26 H C -0.925 174.367 175.328 -0.060 0.000 1.113 26 H CA -0.577 55.505 56.048 0.057 0.000 1.195 26 H CB 1.698 31.494 29.762 0.056 0.000 1.521 26 H HN 0.705 nan 8.280 nan 0.000 0.509 27 H N 1.718 120.905 119.070 0.194 0.000 2.472 27 H HA 0.546 5.102 4.556 0.000 0.000 0.338 27 H C -0.284 175.132 175.328 0.148 0.000 1.133 27 H CA -0.598 55.539 56.048 0.148 0.000 1.216 27 H CB 1.571 31.405 29.762 0.120 0.000 1.497 27 H HN 0.302 nan 8.280 nan 0.000 0.500 28 L N 2.849 124.230 121.223 0.264 0.000 2.470 28 L HA 0.266 4.606 4.340 -0.000 0.000 0.268 28 L C -1.500 175.585 176.870 0.358 0.000 0.964 28 L CA -0.897 54.077 54.840 0.224 0.000 0.839 28 L CB 1.668 43.784 42.059 0.096 0.000 1.276 28 L HN 0.552 nan 8.230 nan 0.000 0.403 29 Y N 5.807 126.244 120.300 0.228 0.000 2.335 29 Y HA 0.780 5.330 4.550 -0.000 0.000 0.338 29 Y C -0.846 175.306 175.900 0.420 0.000 0.977 29 Y CA -1.124 57.141 58.100 0.276 0.000 1.114 29 Y CB 1.219 39.780 38.460 0.169 0.000 1.182 29 Y HN 0.429 nan 8.280 nan 0.000 0.463 30 F N 5.977 125.557 119.950 -0.616 0.000 2.919 30 F HA 0.663 5.190 4.527 0.000 0.000 0.330 30 F C -3.471 172.117 175.800 -0.353 0.000 1.136 30 F CA -1.918 55.775 58.000 -0.512 0.000 0.901 30 F CB -0.011 38.866 39.000 -0.204 0.000 1.321 30 F HN 0.338 nan 8.300 nan 0.000 0.449 38 K N 0.768 121.153 120.400 -0.025 0.000 2.361 38 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 38 K C 1.894 178.427 176.600 -0.110 0.000 1.032 38 K CA -0.132 56.111 56.287 -0.072 0.000 1.048 38 K CB 0.450 32.919 32.500 -0.052 0.000 0.842 38 K HN 0.179 nan 8.250 nan 0.000 0.526 39 L N 0.975 122.119 121.223 -0.132 0.000 2.093 39 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 39 L C 2.514 179.286 176.870 -0.163 0.000 1.085 39 L CA 1.712 56.422 54.840 -0.216 0.000 0.755 39 L CB -1.473 40.301 42.059 -0.475 0.000 0.904 39 L HN 0.188 nan 8.230 nan 0.000 0.435 40 A N -0.496 122.243 122.820 -0.135 0.000 1.877 40 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 40 A C 2.206 179.612 177.584 -0.297 0.000 1.186 40 A CA 1.221 53.169 52.037 -0.147 0.000 0.620 40 A CB -0.396 18.465 19.000 -0.232 0.000 0.822 40 A HN 0.321 nan 8.150 nan 0.000 0.443 41 E N -0.044 119.962 120.200 -0.323 0.000 2.114 41 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 41 E C 2.209 178.726 176.600 -0.138 0.000 1.008 41 E CA 1.948 58.182 56.400 -0.276 0.000 0.810 41 E CB -0.689 28.898 29.700 -0.188 0.000 0.739 41 E HN 0.663 nan 8.360 nan 0.000 0.456 42 V N -1.094 118.760 119.914 -0.100 0.000 2.982 42 V HA -0.184 3.936 4.120 -0.000 0.000 0.265 42 V C 1.713 177.800 176.094 -0.011 0.000 1.122 42 V CA 1.376 63.642 62.300 -0.057 0.000 1.143 42 V CB -0.538 31.240 31.823 -0.075 0.000 0.726 42 V HN 0.071 nan 8.190 nan 0.000 0.507 43 L N 0.267 121.516 121.223 0.043 0.000 2.959 43 L HA 0.354 4.694 4.340 -0.000 0.000 0.259 43 L C 1.935 178.969 176.870 0.274 0.000 1.185 43 L CA 0.274 55.196 54.840 0.135 0.000 0.998 43 L CB 0.240 42.397 42.059 0.162 0.000 1.337 43 L HN 0.263 nan 8.230 nan 0.000 0.555 44 K N 0.486 121.021 120.400 0.226 0.000 2.400 44 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 44 K C 0.338 177.052 176.600 0.189 0.000 1.033 44 K CA 0.465 56.931 56.287 0.299 0.000 1.021 44 K CB -0.626 31.930 32.500 0.092 0.000 0.808 44 K HN 0.287 nan 8.250 nan 0.000 0.505 45 T N -0.069 114.571 114.554 0.142 0.000 2.867 45 T HA 0.022 4.372 4.350 -0.000 0.000 0.297 45 T C -0.015 174.832 174.700 0.245 0.000 0.989 45 T CA -0.322 61.867 62.100 0.148 0.000 1.159 45 T CB -0.185 68.745 68.868 0.103 0.000 0.928 45 T HN 0.282 nan 8.240 nan 0.000 0.538 46 Y N 0.827 121.158 120.300 0.052 0.000 3.477 46 Y HA -0.206 4.344 4.550 0.000 0.000 0.216 46 Y C 0.288 176.217 175.900 0.048 0.000 1.296 46 Y CA 0.585 58.715 58.100 0.050 0.000 1.535 46 Y CB -1.733 36.762 38.460 0.058 0.000 1.482 46 Y HN 1.036 nan 8.280 nan 0.000 0.597 47 S N 1.104 116.827 115.700 0.038 0.000 2.552 47 S HA 0.543 5.013 4.470 -0.000 0.000 0.314 47 S C 0.777 175.336 174.600 -0.070 0.000 1.099 47 S CA -0.067 58.098 58.200 -0.058 0.000 1.070 47 S CB 0.486 63.688 63.200 0.002 0.000 0.998 47 S HN 0.520 nan 8.310 nan 0.000 0.474 48 N N 3.618 122.236 118.700 -0.137 0.000 2.454 48 N HA 0.106 4.846 4.740 -0.000 0.000 0.177 48 N C -0.751 174.685 175.510 -0.123 0.000 1.049 48 N CA 0.150 53.133 53.050 -0.112 0.000 0.887 48 N CB 0.150 38.559 38.487 -0.130 0.000 1.095 48 N HN 0.502 nan 8.380 nan 0.000 0.446 49 D N 0.636 120.939 120.400 -0.163 0.000 2.780 49 D HA 0.331 4.971 4.640 -0.000 0.000 0.242 49 D C -1.367 174.793 176.300 -0.232 0.000 1.135 49 D CA -0.433 53.456 54.000 -0.186 0.000 0.859 49 D CB 3.480 44.161 40.800 -0.198 0.000 1.530 49 D HN -0.089 nan 8.370 nan 0.000 0.493 50 V N 1.215 120.982 119.914 -0.246 0.000 2.623 50 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 50 V C -0.958 175.005 176.094 -0.217 0.000 1.054 50 V CA -0.440 61.681 62.300 -0.299 0.000 0.882 50 V CB 1.842 33.376 31.823 -0.482 0.000 1.002 50 V HN 0.635 nan 8.190 nan 0.000 0.424 51 S N 4.812 120.407 115.700 -0.175 0.000 2.442 51 S HA 0.675 5.145 4.470 -0.000 0.000 0.297 51 S C -0.757 173.910 174.600 0.112 0.000 1.131 51 S CA -0.469 57.715 58.200 -0.027 0.000 1.092 51 S CB 1.147 64.343 63.200 -0.007 0.000 0.998 51 S HN 1.005 nan 8.310 nan 0.000 0.478 52 H N 1.141 120.260 119.070 0.082 0.000 2.489 52 H HA 0.734 5.290 4.556 -0.000 0.000 0.343 52 H C -1.172 174.226 175.328 0.117 0.000 1.086 52 H CA -0.680 55.407 56.048 0.065 0.000 1.198 52 H CB 1.547 31.345 29.762 0.061 0.000 1.490 52 H HN 0.631 nan 8.280 nan 0.000 0.504 53 V N 3.935 123.684 119.914 -0.275 0.000 2.733 53 V HA 0.742 4.862 4.120 -0.000 0.000 0.306 53 V C -1.225 174.691 176.094 -0.296 0.000 1.084 53 V CA -0.310 61.872 62.300 -0.196 0.000 0.905 53 V CB 1.610 33.357 31.823 -0.127 0.000 1.010 53 V HN 1.012 nan 8.190 nan 0.000 0.424 54 A N 6.201 128.895 122.820 -0.210 0.000 2.322 54 A HA 0.594 4.914 4.320 -0.000 0.000 0.327 54 A C 0.335 177.864 177.584 -0.092 0.000 1.394 54 A CA -0.348 51.595 52.037 -0.156 0.000 0.921 54 A CB 0.716 19.645 19.000 -0.118 0.000 1.153 54 A HN 1.486 nan 8.150 nan 0.000 0.523 55 L N 3.186 124.362 121.223 -0.079 0.000 2.375 55 L HA 0.233 4.573 4.340 -0.000 0.000 0.215 55 L C 0.896 177.748 176.870 -0.030 0.000 1.108 55 L CA 0.656 55.461 54.840 -0.057 0.000 0.830 55 L CB -1.322 40.707 42.059 -0.050 0.000 0.959 55 L HN 0.349 nan 8.230 nan 0.000 0.457 56 V N 0.648 120.547 119.914 -0.025 0.000 3.611 56 V HA 0.263 4.383 4.120 -0.000 0.000 0.296 56 V C 0.697 176.786 176.094 -0.009 0.000 1.091 56 V CA 0.292 62.586 62.300 -0.010 0.000 1.103 56 V CB 1.160 32.976 31.823 -0.012 0.000 1.157 56 V HN 0.641 nan 8.190 nan 0.000 0.471 57 T N 1.574 116.127 114.554 -0.001 0.000 2.807 57 T HA 0.335 4.685 4.350 -0.000 0.000 0.277 57 T C 0.823 175.521 174.700 -0.003 0.000 1.006 57 T CA 0.185 62.286 62.100 0.001 0.000 1.006 57 T CB 1.381 70.257 68.868 0.014 0.000 1.274 57 T HN 0.777 nan 8.240 nan 0.000 0.569 58 T N 1.237 115.790 114.554 -0.002 0.000 2.508 58 T HA 0.228 4.578 4.350 -0.000 0.000 0.249 58 T C 1.296 175.992 174.700 -0.008 0.000 1.173 58 T CA 1.423 63.520 62.100 -0.005 0.000 1.275 58 T CB -0.838 68.028 68.868 -0.003 0.000 0.883 58 T HN 1.258 nan 8.240 nan 0.000 0.394 59 A N 1.644 124.461 122.820 -0.005 0.000 3.115 59 A HA -0.086 4.234 4.320 -0.000 0.000 0.263 59 A C 0.444 178.022 177.584 -0.010 0.000 1.391 59 A CA 1.294 53.327 52.037 -0.007 0.000 0.778 59 A CB -2.540 16.455 19.000 -0.007 0.000 1.034 59 A HN 0.988 nan 8.150 nan 0.000 0.551 71 G N 0.909 109.709 108.800 0.001 0.000 2.708 71 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.210 71 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.210 71 G C 1.199 176.106 174.900 0.012 0.000 1.141 71 G CA 0.987 46.089 45.100 0.002 0.000 0.788 71 G HN 0.089 nan 8.290 nan 0.000 0.531 72 V N 0.814 120.737 119.914 0.015 0.000 2.427 72 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 72 V C 2.275 178.394 176.094 0.041 0.000 1.051 72 V CA 2.758 65.076 62.300 0.029 0.000 1.048 72 V CB -0.317 31.519 31.823 0.023 0.000 0.666 72 V HN 0.399 nan 8.190 nan 0.000 0.456 73 D N 0.537 120.954 120.400 0.028 0.000 2.219 73 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 73 D C 1.735 178.053 176.300 0.029 0.000 0.970 73 D CA 1.418 55.434 54.000 0.028 0.000 0.851 73 D CB -0.413 40.397 40.800 0.016 0.000 0.943 73 D HN 0.561 nan 8.370 nan 0.000 0.488 74 N N -0.014 118.701 118.700 0.025 0.000 2.453 74 N HA -0.039 4.701 4.740 -0.000 0.000 0.183 74 N C 1.474 177.007 175.510 0.039 0.000 1.041 74 N CA 0.672 53.735 53.050 0.022 0.000 0.900 74 N CB -0.061 38.432 38.487 0.010 0.000 0.961 74 N HN 0.419 nan 8.380 nan 0.000 0.443 75 I N -3.413 117.196 120.570 0.065 0.000 3.790 75 I HA 0.199 4.369 4.170 -0.000 0.000 0.305 75 I C 1.393 177.583 176.117 0.122 0.000 1.253 75 I CA 0.534 61.902 61.300 0.114 0.000 1.355 75 I CB -0.333 37.763 38.000 0.160 0.000 1.137 75 I HN -0.118 nan 8.210 nan 0.000 0.435 76 L N 1.215 122.498 121.223 0.100 0.000 2.093 76 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 76 L C 2.322 179.205 176.870 0.022 0.000 1.085 76 L CA 1.230 56.112 54.840 0.070 0.000 0.755 76 L CB -0.866 41.236 42.059 0.071 0.000 0.904 76 L HN 0.313 nan 8.230 nan 0.000 0.435 77 N N 0.271 118.983 118.700 0.021 0.000 2.142 77 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 77 N C 1.939 177.441 175.510 -0.013 0.000 1.023 77 N CA 1.458 54.510 53.050 0.002 0.000 0.852 77 N CB -0.240 38.249 38.487 0.003 0.000 0.998 77 N HN 0.302 nan 8.380 nan 0.000 0.424 78 A N 1.367 124.185 122.820 -0.002 0.000 1.883 78 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 78 A C 2.393 179.938 177.584 -0.065 0.000 1.186 78 A CA 2.163 54.189 52.037 -0.018 0.000 0.624 78 A CB -0.872 18.145 19.000 0.028 0.000 0.822 78 A HN 0.333 nan 8.150 nan 0.000 0.444 79 A N -0.697 122.099 122.820 -0.041 0.000 1.930 79 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 79 A C 2.023 179.599 177.584 -0.014 0.000 1.175 79 A CA 1.732 53.754 52.037 -0.024 0.000 0.627 79 A CB -0.488 18.423 19.000 -0.149 0.000 0.815 79 A HN 0.694 nan 8.150 nan 0.000 0.443 80 E N 0.495 120.679 120.200 -0.027 0.000 2.106 80 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 80 E C 1.971 178.543 176.600 -0.047 0.000 0.984 80 E CA 1.441 57.833 56.400 -0.013 0.000 0.806 80 E CB -0.096 29.599 29.700 -0.009 0.000 0.750 80 E HN 0.713 nan 8.360 nan 0.000 0.458 81 S N -0.735 114.917 115.700 -0.080 0.000 2.561 81 S HA 0.150 4.620 4.470 -0.000 0.000 0.225 81 S C 1.622 176.121 174.600 -0.169 0.000 0.977 81 S CA 0.452 58.594 58.200 -0.096 0.000 0.926 81 S CB 0.704 63.857 63.200 -0.078 0.000 0.769 81 S HN 0.341 nan 8.310 nan 0.000 0.533 82 A N 0.429 123.070 122.820 -0.299 0.000 2.013 82 A HA 0.554 4.874 4.320 -0.000 0.000 0.204 82 A C 1.031 178.258 177.584 -0.596 0.000 1.262 82 A CA 0.029 51.736 52.037 -0.549 0.000 0.800 82 A CB -0.138 18.326 19.000 -0.892 0.000 0.909 82 A HN 0.509 nan 8.150 nan 0.000 0.472 83 F N -0.045 119.874 119.950 -0.053 0.000 2.683 83 F HA 0.475 5.002 4.527 -0.000 0.000 0.306 83 F C 1.527 177.297 175.800 -0.050 0.000 1.102 83 F CA -0.134 57.834 58.000 -0.054 0.000 1.244 83 F CB -0.040 38.916 39.000 -0.074 0.000 1.029 83 F HN 0.416 nan 8.300 nan 0.000 0.545 84 G N 0.804 109.640 108.800 0.061 0.000 2.552 84 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 84 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 84 G C 0.585 175.508 174.900 0.038 0.000 1.234 84 G CA 0.097 45.218 45.100 0.034 0.000 0.944 84 G HN 0.304 nan 8.290 nan 0.000 0.568 85 S N 0.344 116.056 115.700 0.021 0.000 2.588 85 S HA 0.271 4.741 4.470 -0.000 0.000 0.245 85 S C 1.043 175.642 174.600 -0.002 0.000 1.021 85 S CA 0.590 58.796 58.200 0.010 0.000 1.006 85 S CB -0.887 62.314 63.200 0.002 0.000 0.830 85 S HN 0.530 nan 8.310 nan 0.000 0.468 86 N N 0.966 119.664 118.700 -0.002 0.000 2.322 86 N HA 0.180 4.920 4.740 -0.000 0.000 0.216 86 N C -0.891 174.583 175.510 -0.060 0.000 1.144 86 N CA -0.109 52.919 53.050 -0.037 0.000 0.830 86 N CB 0.284 38.745 38.487 -0.043 0.000 1.034 86 N HN 0.314 nan 8.380 nan 0.000 0.484 87 I N 0.764 121.313 120.570 -0.034 0.000 2.428 87 I HA 0.046 4.216 4.170 -0.000 0.000 0.289 87 I C 0.227 176.332 176.117 -0.020 0.000 1.019 87 I CA 0.173 61.448 61.300 -0.042 0.000 1.351 87 I CB 1.463 39.451 38.000 -0.020 0.000 1.412 87 I HN -0.129 nan 8.210 nan 0.000 0.513 88 S N 5.069 120.753 115.700 -0.025 0.000 2.669 88 S HA 0.402 4.872 4.470 -0.000 0.000 0.315 88 S C -0.507 174.236 174.600 0.239 0.000 1.106 88 S CA -0.589 57.624 58.200 0.021 0.000 1.107 88 S CB 1.359 64.415 63.200 -0.240 0.000 0.990 88 S HN 0.468 nan 8.310 nan 0.000 0.471 89 V N 5.181 125.259 119.914 0.272 0.000 2.546 89 V HA 0.538 4.658 4.120 -0.000 0.000 0.284 89 V C -0.566 175.731 176.094 0.338 0.000 1.050 89 V CA -0.590 61.899 62.300 0.315 0.000 0.981 89 V CB 0.607 32.561 31.823 0.218 0.000 0.990 89 V HN 0.704 nan 8.190 nan 0.000 0.474 90 F N 5.960 125.963 119.950 0.088 0.000 2.467 90 F HA 0.341 4.868 4.527 0.000 0.000 0.362 90 F C 0.688 176.395 175.800 -0.154 0.000 1.090 90 F CA -0.158 57.733 58.000 -0.182 0.000 1.202 90 F CB 0.460 39.285 39.000 -0.291 0.000 1.113 90 F HN 0.671 nan 8.300 nan 0.000 0.541 91 D N 1.999 122.030 120.400 -0.615 0.000 2.384 91 D HA 0.030 4.670 4.640 -0.000 0.000 0.244 91 D C 0.969 176.999 176.300 -0.449 0.000 1.251 91 D CA 0.332 54.077 54.000 -0.426 0.000 0.961 91 D CB 1.421 41.993 40.800 -0.379 0.000 1.116 91 D HN 0.561 nan 8.370 nan 0.000 0.484 92 S N 0.255 115.792 115.700 -0.271 0.000 2.603 92 S HA 0.018 4.488 4.470 -0.000 0.000 0.220 92 S C 0.757 175.210 174.600 -0.246 0.000 0.967 92 S CA 0.094 58.160 58.200 -0.223 0.000 0.920 92 S CB -0.001 63.117 63.200 -0.138 0.000 0.773 92 S HN 0.349 nan 8.310 nan 0.000 0.529 93 N N 0.999 119.517 118.700 -0.303 0.000 2.184 93 N HA 0.230 4.970 4.740 -0.000 0.000 0.206 93 N C 1.035 176.342 175.510 -0.340 0.000 1.151 93 N CA 0.669 53.569 53.050 -0.251 0.000 0.878 93 N CB 0.897 39.274 38.487 -0.184 0.000 1.014 93 N HN 0.608 nan 8.380 nan 0.000 0.512 94 G N 1.089 109.514 108.800 -0.625 0.000 2.132 94 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.234 94 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.234 94 G C -0.389 173.969 174.900 -0.905 0.000 0.989 94 G CA -0.242 44.377 45.100 -0.802 0.000 0.676 94 G HN 0.368 nan 8.290 nan 0.000 0.522 95 N N -0.762 117.420 118.700 -0.863 0.000 2.272 95 N HA 0.712 5.452 4.740 -0.000 0.000 0.305 95 N C -0.552 174.648 175.510 -0.516 0.000 1.103 95 N CA -0.636 52.101 53.050 -0.522 0.000 0.791 95 N CB 0.940 39.284 38.487 -0.237 0.000 1.356 95 N HN 0.019 nan 8.380 nan 0.000 0.486 96 F N 1.485 121.357 119.950 -0.129 0.000 2.443 96 F HA 0.423 4.950 4.527 -0.000 0.000 0.353 96 F C 0.360 176.130 175.800 -0.050 0.000 1.101 96 F CA -0.535 57.447 58.000 -0.031 0.000 1.226 96 F CB 0.326 39.358 39.000 0.053 0.000 1.140 96 F HN 0.317 nan 8.300 nan 0.000 0.557 97 I N -1.069 119.605 120.570 0.174 0.000 2.865 97 I HA 0.486 4.656 4.170 -0.000 0.000 0.302 97 I C -0.154 176.013 176.117 0.083 0.000 1.140 97 I CA -1.191 60.158 61.300 0.082 0.000 1.021 97 I CB 1.435 39.445 38.000 0.016 0.000 1.233 97 I HN 0.336 nan 8.210 nan 0.000 0.427 98 S N 2.571 118.300 115.700 0.048 0.000 2.593 98 S HA 0.036 4.506 4.470 -0.000 0.000 0.300 98 S C 1.063 175.688 174.600 0.042 0.000 1.267 98 S CA 0.088 58.309 58.200 0.034 0.000 1.065 98 S CB 0.021 63.232 63.200 0.019 0.000 0.807 98 S HN 0.833 nan 8.310 nan 0.000 0.499 99 L N 4.893 126.140 121.223 0.040 0.000 2.017 99 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 99 L C 1.331 178.221 176.870 0.033 0.000 1.073 99 L CA 2.088 56.956 54.840 0.047 0.000 0.745 99 L CB -1.026 41.053 42.059 0.033 0.000 0.894 99 L HN 0.810 nan 8.230 nan 0.000 0.432 100 E N -0.233 119.979 120.200 0.021 0.000 3.473 100 E HA 0.089 4.439 4.350 -0.000 0.000 0.309 100 E C 1.431 178.040 176.600 0.015 0.000 1.502 100 E CA 0.689 57.098 56.400 0.015 0.000 1.525 100 E CB 0.380 30.085 29.700 0.008 0.000 1.183 100 E HN 0.431 nan 8.360 nan 0.000 0.757 101 S N -0.343 115.363 115.700 0.010 0.000 3.746 101 S HA -0.410 4.059 4.470 -0.000 0.000 0.538 101 S C 1.694 176.300 174.600 0.010 0.000 0.922 101 S CA 3.155 61.359 58.200 0.008 0.000 3.394 101 S CB -1.838 61.365 63.200 0.006 0.000 2.350 101 S HN 0.906 nan 8.310 nan 0.000 0.497 102 A N 1.062 123.888 122.820 0.009 0.000 1.818 102 A HA -0.432 3.888 4.320 -0.000 0.000 0.310 102 A C 1.880 179.468 177.584 0.008 0.000 3.572 102 A CA 3.215 55.257 52.037 0.008 0.000 0.984 102 A CB -1.169 17.840 19.000 0.014 0.000 0.719 102 A HN 0.698 nan 8.150 nan 0.000 0.500 103 K N -2.419 117.992 120.400 0.018 0.000 2.323 103 K HA 0.063 4.383 4.320 -0.000 0.000 0.197 103 K C 1.990 178.603 176.600 0.021 0.000 1.043 103 K CA 0.849 57.148 56.287 0.020 0.000 0.997 103 K CB 0.000 32.522 32.500 0.035 0.000 0.807 103 K HN 0.617 nan 8.250 nan 0.000 0.497 104 T N 1.951 116.519 114.554 0.022 0.000 2.881 104 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 104 T C 1.117 175.824 174.700 0.012 0.000 1.068 104 T CA 1.657 63.769 62.100 0.019 0.000 1.131 104 T CB -0.189 68.689 68.868 0.017 0.000 0.871 104 T HN 0.431 nan 8.240 nan 0.000 0.479 105 N N 0.122 118.827 118.700 0.008 0.000 2.184 105 N HA 0.157 4.897 4.740 -0.000 0.000 0.206 105 N C 0.169 175.679 175.510 0.001 0.000 1.151 105 N CA -0.276 52.777 53.050 0.004 0.000 0.878 105 N CB 0.318 38.806 38.487 0.003 0.000 1.014 105 N HN 0.085 nan 8.380 nan 0.000 0.512 109 V N -0.641 119.256 119.914 -0.028 0.000 2.500 109 V HA 0.109 4.229 4.120 -0.000 0.000 0.243 109 V C 0.904 176.973 176.094 -0.042 0.000 1.039 109 V CA 0.663 62.946 62.300 -0.028 0.000 1.053 109 V CB 0.372 32.195 31.823 -0.001 0.000 0.695 109 V HN 0.560 nan 8.190 nan 0.000 0.463 110 S N 1.232 116.911 115.700 -0.036 0.000 2.811 110 S HA 0.251 4.721 4.470 -0.000 0.000 0.325 110 S C 0.119 174.681 174.600 -0.064 0.000 1.224 110 S CA 0.160 58.334 58.200 -0.043 0.000 1.125 110 S CB -0.450 62.733 63.200 -0.028 0.000 0.867 110 S HN 0.563 nan 8.310 nan 0.000 0.512 111 A N 4.814 127.589 122.820 -0.076 0.000 2.306 111 A HA 0.717 5.037 4.320 -0.000 0.000 0.330 111 A C 0.510 178.007 177.584 -0.145 0.000 1.146 111 A CA -0.464 51.506 52.037 -0.111 0.000 0.827 111 A CB 0.896 19.864 19.000 -0.052 0.000 1.178 111 A HN 1.104 nan 8.150 nan 0.000 0.490 112 S N 0.861 116.402 115.700 -0.264 0.000 2.596 112 S HA 0.041 4.511 4.470 -0.000 0.000 0.260 112 S C 0.917 175.335 174.600 -0.304 0.000 1.336 112 S CA 0.131 58.136 58.200 -0.324 0.000 0.993 112 S CB 0.439 63.187 63.200 -0.753 0.000 0.923 112 S HN 0.916 nan 8.310 nan 0.000 0.567 113 N N 0.991 119.598 118.700 -0.155 0.000 2.412 113 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 113 N C 1.184 176.684 175.510 -0.017 0.000 1.101 113 N CA 0.612 53.623 53.050 -0.065 0.000 0.881 113 N CB -0.211 38.291 38.487 0.025 0.000 0.969 113 N HN 0.955 nan 8.380 nan 0.000 0.459 114 W N -0.929 120.372 121.300 0.002 0.000 2.842 114 W HA 0.277 4.937 4.660 -0.000 0.000 0.267 114 W C 1.787 178.322 176.519 0.027 0.000 1.219 114 W CA -0.327 57.023 57.345 0.008 0.000 1.458 114 W CB -1.200 28.262 29.460 0.004 0.000 1.006 114 W HN 0.034 nan 8.180 nan 0.000 0.603 115 C N 2.940 121.867 119.300 -0.621 0.000 2.393 115 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 115 C C 3.185 178.168 174.990 -0.012 0.000 1.215 115 C CA 2.928 61.708 59.018 -0.397 0.000 1.743 115 C CB -1.456 25.954 27.740 -0.549 0.000 2.044 115 C HN 0.520 nan 8.230 nan 0.000 0.464 116 G N -1.117 107.620 108.800 -0.106 0.000 2.422 116 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 116 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 116 G C 1.750 176.568 174.900 -0.136 0.000 1.146 116 G CA 1.593 46.446 45.100 -0.411 0.000 0.769 116 G HN 0.575 nan 8.290 nan 0.000 0.547 117 T N 1.527 116.078 114.554 -0.005 0.000 2.770 117 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 117 T C 2.848 177.702 174.700 0.257 0.000 1.039 117 T CA 1.342 63.553 62.100 0.185 0.000 1.142 117 T CB -0.351 68.621 68.868 0.173 0.000 0.868 117 T HN 0.353 nan 8.240 nan 0.000 0.435 118 A N 1.592 124.541 122.820 0.214 0.000 1.908 118 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 118 A C 2.225 179.886 177.584 0.130 0.000 1.181 118 A CA 1.928 54.078 52.037 0.188 0.000 0.627 118 A CB -0.512 18.661 19.000 0.288 0.000 0.818 118 A HN 0.457 nan 8.150 nan 0.000 0.445 119 K N -1.786 118.699 120.400 0.142 0.000 2.057 119 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 119 K C 1.837 178.510 176.600 0.121 0.000 1.050 119 K CA 1.480 57.839 56.287 0.120 0.000 0.935 119 K CB -0.318 32.276 32.500 0.157 0.000 0.715 119 K HN 0.655 nan 8.250 nan 0.000 0.439 120 W N 1.071 122.349 121.300 -0.036 0.000 2.358 120 W HA -0.199 4.461 4.660 -0.000 0.000 0.303 120 W C 1.415 177.931 176.519 -0.005 0.000 1.208 120 W CA 1.140 58.460 57.345 -0.043 0.000 1.274 120 W CB -0.485 28.924 29.460 -0.084 0.000 1.138 120 W HN -0.179 nan 8.180 nan 0.000 0.515 121 V N 1.524 121.284 119.914 -0.256 0.000 2.358 121 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 121 V C 2.679 178.617 176.094 -0.260 0.000 1.047 121 V CA 2.420 64.457 62.300 -0.438 0.000 1.035 121 V CB -1.446 30.263 31.823 -0.190 0.000 0.658 121 V HN 0.424 nan 8.190 nan 0.000 0.452 122 S N 1.321 116.951 115.700 -0.118 0.000 2.469 122 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 122 S C 1.558 176.114 174.600 -0.073 0.000 0.998 122 S CA 1.503 59.660 58.200 -0.071 0.000 0.957 122 S CB -0.328 62.861 63.200 -0.017 0.000 0.764 122 S HN 0.871 nan 8.310 nan 0.000 0.514 123 K N -0.992 119.349 120.400 -0.099 0.000 2.477 123 K HA 0.361 4.681 4.320 -0.000 0.000 0.208 123 K C 0.522 177.064 176.600 -0.096 0.000 1.117 123 K CA -0.304 55.945 56.287 -0.064 0.000 1.039 123 K CB 0.281 32.779 32.500 -0.004 0.000 0.937 123 K HN 0.132 nan 8.250 nan 0.000 0.570 124 N N 0.051 118.616 118.700 -0.224 0.000 2.211 124 N HA 0.174 4.914 4.740 -0.000 0.000 0.216 124 N C 0.668 176.040 175.510 -0.229 0.000 1.240 124 N CA 0.297 53.217 53.050 -0.218 0.000 0.895 124 N CB 0.695 38.998 38.487 -0.307 0.000 1.102 124 N HN 0.061 nan 8.380 nan 0.000 0.498 125 I N 0.131 120.521 120.570 -0.301 0.000 3.650 125 I HA 0.175 4.345 4.170 -0.000 0.000 0.261 125 I C -0.216 175.823 176.117 -0.130 0.000 1.154 125 I CA 0.507 61.679 61.300 -0.214 0.000 1.418 125 I CB 0.526 38.349 38.000 -0.296 0.000 1.539 125 I HN -0.158 nan 8.210 nan 0.000 0.449 126 E N -0.129 119.992 120.200 -0.131 0.000 2.388 126 E HA 0.264 4.614 4.350 -0.000 0.000 0.289 126 E C -0.495 176.063 176.600 -0.070 0.000 0.944 126 E CA -0.047 56.306 56.400 -0.079 0.000 0.792 126 E CB 1.263 30.925 29.700 -0.063 0.000 1.239 126 E HN 0.200 nan 8.360 nan 0.000 0.412 127 E N 1.909 122.081 120.200 -0.046 0.000 2.385 127 E HA 0.099 4.449 4.350 -0.000 0.000 0.194 127 E C -0.460 176.122 176.600 -0.029 0.000 1.013 127 E CA 0.368 56.746 56.400 -0.036 0.000 0.866 127 E CB 0.165 29.852 29.700 -0.022 0.000 0.832 127 E HN 0.288 nan 8.360 nan 0.000 0.500 128 N N 0.421 119.107 118.700 -0.023 0.000 2.617 128 N HA 0.209 4.949 4.740 -0.000 0.000 0.263 128 N C -1.141 174.363 175.510 -0.010 0.000 1.074 128 N CA -0.348 52.695 53.050 -0.012 0.000 0.841 128 N CB 1.338 39.831 38.487 0.009 0.000 1.221 128 N HN 0.121 nan 8.380 nan 0.000 0.529 129 C N -0.571 118.711 119.300 -0.030 0.000 3.253 129 C HA 0.618 5.078 4.460 -0.000 0.000 0.362 129 C C -1.715 173.238 174.990 -0.061 0.000 1.487 129 C CA -0.979 58.022 59.018 -0.028 0.000 1.179 129 C CB 0.625 28.343 27.740 -0.037 0.000 1.660 129 C HN 0.358 nan 8.230 nan 0.000 0.438 130 I N 2.162 122.687 120.570 -0.075 0.000 2.406 130 I HA 0.517 4.687 4.170 -0.000 0.000 0.290 130 I C -0.403 175.651 176.117 -0.104 0.000 0.999 130 I CA -0.298 60.936 61.300 -0.110 0.000 1.124 130 I CB 1.415 39.327 38.000 -0.147 0.000 1.289 130 I HN 0.792 nan 8.210 nan 0.000 0.441 131 L N 8.426 129.597 121.223 -0.087 0.000 2.276 131 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 131 L C -0.646 176.183 176.870 -0.069 0.000 1.061 131 L CA -0.027 54.783 54.840 -0.050 0.000 0.807 131 L CB 1.218 43.280 42.059 0.005 0.000 1.177 131 L HN 0.301 nan 8.230 nan 0.000 0.429 132 V N 5.590 125.469 119.914 -0.059 0.000 2.349 132 V HA 0.475 4.595 4.120 -0.000 0.000 0.284 132 V C -0.360 175.721 176.094 -0.021 0.000 1.014 132 V CA -0.634 61.627 62.300 -0.066 0.000 0.826 132 V CB 1.005 32.767 31.823 -0.102 0.000 1.009 132 V HN 0.826 nan 8.190 nan 0.000 0.431 136 S N -1.319 114.401 115.700 0.033 0.000 2.470 136 S HA 0.172 4.642 4.470 -0.000 0.000 0.225 136 S C 1.506 176.111 174.600 0.007 0.000 1.006 136 S CA 2.166 60.383 58.200 0.028 0.000 0.934 136 S CB 0.154 63.366 63.200 0.020 0.000 0.778 136 S HN 0.569 nan 8.310 nan 0.000 0.517 137 T N 1.064 115.608 114.554 -0.016 0.000 3.057 137 T HA 0.249 4.599 4.350 -0.000 0.000 0.254 137 T C 0.571 175.173 174.700 -0.162 0.000 0.965 137 T CA 0.691 62.759 62.100 -0.053 0.000 0.978 137 T CB 0.635 69.489 68.868 -0.024 0.000 1.169 137 T HN 0.680 nan 8.240 nan 0.000 0.489 138 T N 0.682 115.113 114.554 -0.205 0.000 2.930 138 T HA 0.657 5.007 4.350 -0.000 0.000 0.290 138 T C -0.998 173.620 174.700 -0.137 0.000 1.052 138 T CA -0.630 61.271 62.100 -0.332 0.000 1.017 138 T CB 2.076 70.647 68.868 -0.494 0.000 1.137 138 T HN -0.115 nan 8.240 nan 0.000 0.511 139 T N 2.412 116.893 114.554 -0.122 0.000 2.864 139 T HA 0.398 4.748 4.350 -0.000 0.000 0.299 139 T C -1.069 173.583 174.700 -0.080 0.000 1.011 139 T CA -0.724 61.348 62.100 -0.047 0.000 0.975 139 T CB 0.701 69.577 68.868 0.013 0.000 0.962 139 T HN 0.602 nan 8.240 nan 0.000 0.448 140 D N 2.844 123.196 120.400 -0.081 0.000 2.255 140 D HA 0.383 5.023 4.640 -0.000 0.000 0.249 140 D C -0.003 176.204 176.300 -0.156 0.000 1.078 140 D CA -0.220 53.684 54.000 -0.160 0.000 0.896 140 D CB 1.787 42.493 40.800 -0.158 0.000 1.194 140 D HN 0.442 nan 8.370 nan 0.000 0.429 141 I N 2.693 123.135 120.570 -0.213 0.000 2.583 141 I HA 0.177 4.347 4.170 -0.000 0.000 0.276 141 I C -0.571 175.406 176.117 -0.233 0.000 1.089 141 I CA -0.784 60.414 61.300 -0.170 0.000 1.103 141 I CB 0.890 38.826 38.000 -0.107 0.000 1.209 141 I HN 0.200 nan 8.210 nan 0.000 0.484 142 I N 5.570 125.989 120.570 -0.253 0.000 2.362 142 I HA 0.677 4.847 4.170 -0.000 0.000 0.289 142 I C -2.675 173.317 176.117 -0.208 0.000 0.994 142 I CA -2.327 58.792 61.300 -0.301 0.000 1.158 142 I CB 1.373 39.111 38.000 -0.437 0.000 1.315 142 I HN 0.103 nan 8.210 nan 0.000 0.451 143 P HA 0.350 nan 4.420 nan 0.000 0.275 143 P C -0.876 176.242 177.300 -0.304 0.000 1.227 143 P CA 0.007 62.893 63.100 -0.358 0.000 0.781 143 P CB 1.299 32.532 31.700 -0.779 0.000 0.906 144 I N 2.570 123.001 120.570 -0.232 0.000 2.468 144 I HA 0.309 4.479 4.170 -0.000 0.000 0.285 144 I C -0.505 175.534 176.117 -0.131 0.000 1.039 144 I CA -1.005 60.210 61.300 -0.143 0.000 1.074 144 I CB 2.234 40.188 38.000 -0.076 0.000 1.228 144 I HN -0.012 nan 8.210 nan 0.000 0.436 145 V N 5.421 125.266 119.914 -0.115 0.000 2.531 145 V HA 0.369 4.489 4.120 -0.000 0.000 0.301 145 V C 0.152 176.236 176.094 -0.016 0.000 1.034 145 V CA -0.571 61.699 62.300 -0.050 0.000 0.865 145 V CB 1.588 33.396 31.823 -0.024 0.000 0.995 145 V HN 0.800 nan 8.190 nan 0.000 0.424 146 E N 3.316 123.516 120.200 -0.001 0.000 2.476 146 E HA -0.261 4.089 4.350 -0.000 0.000 0.251 146 E C 1.222 177.821 176.600 -0.001 0.000 1.130 146 E CA 1.140 57.543 56.400 0.005 0.000 0.736 146 E CB -1.472 28.237 29.700 0.015 0.000 1.298 146 E HN 1.721 nan 8.360 nan 0.000 0.400 147 G N -0.754 108.040 108.800 -0.010 0.000 2.148 147 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 147 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 147 G C 0.099 174.997 174.900 -0.003 0.000 0.981 147 G CA 0.809 45.904 45.100 -0.009 0.000 0.670 147 G HN 0.130 nan 8.290 nan 0.000 0.528 148 K N 0.234 120.629 120.400 -0.008 0.000 2.324 148 K HA 0.569 4.889 4.320 -0.000 0.000 0.253 148 K C 0.172 176.765 176.600 -0.010 0.000 0.932 148 K CA -0.799 55.489 56.287 0.001 0.000 0.799 148 K CB 2.365 34.868 32.500 0.006 0.000 1.154 148 K HN 0.080 nan 8.250 nan 0.000 0.425 149 V N 3.129 123.058 119.914 0.024 0.000 2.403 149 V HA 0.028 4.148 4.120 -0.000 0.000 0.265 149 V C 0.907 177.017 176.094 0.028 0.000 1.034 149 V CA -0.172 62.157 62.300 0.048 0.000 1.036 149 V CB 0.895 32.807 31.823 0.149 0.000 1.032 149 V HN 0.492 nan 8.190 nan 0.000 0.478 150 V N 5.687 125.565 119.914 -0.059 0.000 3.099 150 V HA 0.531 4.651 4.120 -0.000 0.000 0.356 150 V C 1.002 177.063 176.094 -0.054 0.000 1.364 150 V CA 0.311 62.576 62.300 -0.058 0.000 1.229 150 V CB 0.046 31.800 31.823 -0.114 0.000 1.227 150 V HN 0.890 nan 8.190 nan 0.000 0.493 151 A N 0.245 123.044 122.820 -0.034 0.000 2.304 151 A HA 0.624 4.943 4.320 -0.000 0.000 0.271 151 A C 0.319 177.923 177.584 0.033 0.000 1.091 151 A CA -0.421 51.567 52.037 -0.081 0.000 0.812 151 A CB 0.334 19.140 19.000 -0.324 0.000 1.056 151 A HN 0.424 nan 8.150 nan 0.000 0.489 152 E N 0.548 120.755 120.200 0.012 0.000 2.415 152 E HA -0.001 4.348 4.350 -0.000 0.000 0.262 152 E C 1.052 177.743 176.600 0.152 0.000 1.038 152 E CA 0.181 56.623 56.400 0.069 0.000 0.921 152 E CB 0.748 30.473 29.700 0.043 0.000 0.950 152 E HN 0.701 nan 8.360 nan 0.000 0.438 153 K N 0.445 120.936 120.400 0.151 0.000 2.007 153 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 153 K C 1.085 177.799 176.600 0.189 0.000 1.047 153 K CA 1.011 57.408 56.287 0.184 0.000 0.937 153 K CB -0.508 32.055 32.500 0.105 0.000 0.718 153 K HN 0.516 nan 8.250 nan 0.000 0.438 154 T N -0.800 113.830 114.554 0.126 0.000 2.899 154 T HA 0.136 4.486 4.350 -0.000 0.000 0.284 154 T C 0.264 175.036 174.700 0.120 0.000 1.004 154 T CA -0.595 61.573 62.100 0.114 0.000 1.043 154 T CB 1.440 70.351 68.868 0.072 0.000 1.013 154 T HN -0.009 nan 8.240 nan 0.000 0.518 155 D N 0.066 120.540 120.400 0.123 0.000 2.117 155 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 155 D C 1.896 178.244 176.300 0.080 0.000 0.987 155 D CA 0.836 54.908 54.000 0.119 0.000 0.829 155 D CB -0.316 40.566 40.800 0.137 0.000 0.961 155 D HN 0.454 nan 8.370 nan 0.000 0.460 156 L N 1.191 122.451 121.223 0.062 0.000 2.012 156 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 156 L C 1.704 178.589 176.870 0.025 0.000 1.073 156 L CA 1.847 56.709 54.840 0.037 0.000 0.748 156 L CB -0.511 41.564 42.059 0.027 0.000 0.891 156 L HN 0.006 nan 8.230 nan 0.000 0.431 157 E N -0.765 119.454 120.200 0.032 0.000 2.153 157 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 157 E C 2.245 178.851 176.600 0.010 0.000 0.988 157 E CA 1.059 57.473 56.400 0.024 0.000 0.811 157 E CB -0.066 29.656 29.700 0.037 0.000 0.746 157 E HN 0.517 nan 8.360 nan 0.000 0.466 158 R N 0.294 120.800 120.500 0.009 0.000 2.090 158 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 158 R C 1.173 177.455 176.300 -0.030 0.000 1.110 158 R CA 0.270 56.353 56.100 -0.028 0.000 0.973 158 R CB -0.161 30.100 30.300 -0.065 0.000 0.869 158 R HN 0.075 nan 8.270 nan 0.000 0.440 162 H N 0.492 119.569 119.070 0.011 0.000 2.822 162 H HA -0.148 4.408 4.556 -0.000 0.000 0.295 162 H C 0.477 175.790 175.328 -0.025 0.000 1.151 162 H CA 1.492 57.544 56.048 0.006 0.000 1.151 162 H CB -1.478 28.293 29.762 0.015 0.000 1.343 162 H HN 0.467 nan 8.280 nan 0.000 0.382 163 E N -0.271 119.937 120.200 0.013 0.000 2.481 163 E HA 0.241 4.591 4.350 -0.000 0.000 0.198 163 E C -0.141 176.369 176.600 -0.150 0.000 1.027 163 E CA -0.050 56.294 56.400 -0.093 0.000 0.900 163 E CB 0.856 30.462 29.700 -0.158 0.000 0.993 163 E HN 0.189 nan 8.360 nan 0.000 0.482 164 L N 1.317 122.498 121.223 -0.069 0.000 2.516 164 L HA 0.412 4.752 4.340 -0.000 0.000 0.267 164 L C -2.021 174.862 176.870 0.020 0.000 0.957 164 L CA -1.003 53.802 54.840 -0.058 0.000 0.860 164 L CB 1.817 43.863 42.059 -0.023 0.000 1.265 164 L HN -0.105 nan 8.230 nan 0.000 0.403 165 L N 4.813 126.039 121.223 0.006 0.000 2.385 165 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 165 L C -1.375 175.518 176.870 0.039 0.000 0.990 165 L CA -0.071 54.820 54.840 0.085 0.000 0.821 165 L CB 1.795 43.910 42.059 0.093 0.000 1.279 165 L HN 0.593 nan 8.230 nan 0.000 0.412 166 Y N 5.121 125.461 120.300 0.067 0.000 2.903 166 Y HA 0.426 4.976 4.550 -0.000 0.000 0.387 166 Y C -0.006 175.855 175.900 -0.064 0.000 1.189 166 Y CA -0.116 57.972 58.100 -0.020 0.000 1.856 166 Y CB 0.294 38.687 38.460 -0.112 0.000 1.917 166 Y HN 0.407 nan 8.280 nan 0.000 0.448 167 V N -1.173 118.768 119.914 0.046 0.000 2.588 167 V HA 1.052 5.172 4.120 -0.000 0.000 0.304 167 V C 0.002 176.137 176.094 0.067 0.000 1.042 167 V CA -0.672 61.646 62.300 0.031 0.000 0.877 167 V CB 1.411 33.320 31.823 0.143 0.000 0.996 167 V HN 0.330 nan 8.190 nan 0.000 0.425 168 G N 1.733 110.536 108.800 0.006 0.000 2.730 168 G HA2 0.521 4.481 3.960 -0.000 0.000 0.289 168 G HA3 0.521 4.481 3.960 -0.000 0.000 0.289 168 G C 0.244 175.254 174.900 0.184 0.000 1.341 168 G CA 0.116 45.270 45.100 0.090 0.000 0.932 168 G HN 0.704 nan 8.290 nan 0.000 0.481 169 T N 0.277 114.980 114.554 0.249 0.000 2.995 169 T HA 0.000 4.350 4.350 -0.000 0.000 0.269 169 T C 1.832 176.594 174.700 0.102 0.000 1.091 169 T CA 1.308 63.606 62.100 0.330 0.000 1.128 169 T CB -0.223 68.765 68.868 0.200 0.000 0.891 169 T HN 0.278 nan 8.240 nan 0.000 0.492 170 L N -1.266 119.943 121.223 -0.024 0.000 2.678 170 L HA 0.349 4.689 4.340 -0.000 0.000 0.211 170 L C 1.937 178.717 176.870 -0.150 0.000 1.043 170 L CA -0.081 54.673 54.840 -0.143 0.000 0.881 170 L CB 0.103 42.078 42.059 -0.139 0.000 1.361 170 L HN -0.176 nan 8.230 nan 0.000 0.484 171 R N 0.356 120.810 120.500 -0.077 0.000 2.356 171 R HA 0.167 4.507 4.340 -0.000 0.000 0.234 171 R C -0.272 176.008 176.300 -0.033 0.000 0.929 171 R CA 0.022 56.107 56.100 -0.025 0.000 1.084 171 R CB -0.010 30.300 30.300 0.017 0.000 1.105 171 R HN 0.140 nan 8.270 nan 0.000 0.515 172 T N 3.308 117.786 114.554 -0.126 0.000 2.749 172 T HA 0.201 4.551 4.350 -0.000 0.000 0.295 172 T C -2.400 172.214 174.700 -0.144 0.000 0.936 172 T CA -1.587 60.416 62.100 -0.162 0.000 1.060 172 T CB 1.453 70.154 68.868 -0.279 0.000 0.904 172 T HN -0.108 nan 8.240 nan 0.000 0.500 173 P HA 0.129 nan 4.420 nan 0.000 0.268 173 P C 1.091 178.315 177.300 -0.127 0.000 1.204 173 P CA -0.446 62.634 63.100 -0.033 0.000 0.768 173 P CB 0.414 32.167 31.700 0.088 0.000 0.842 174 I N 2.302 122.732 120.570 -0.234 0.000 2.194 174 I HA -0.243 3.927 4.170 -0.000 0.000 0.246 174 I C 2.058 177.974 176.117 -0.335 0.000 1.093 174 I CA 2.338 63.384 61.300 -0.423 0.000 1.355 174 I CB -1.806 35.849 38.000 -0.574 0.000 1.046 174 I HN 0.387 nan 8.210 nan 0.000 0.413 175 S N -0.443 115.178 115.700 -0.131 0.000 2.507 175 S HA -0.218 4.252 4.470 -0.000 0.000 0.235 175 S C 1.967 176.605 174.600 0.062 0.000 0.988 175 S CA 0.811 59.022 58.200 0.018 0.000 0.944 175 S CB -0.930 62.294 63.200 0.039 0.000 0.762 175 S HN 0.542 nan 8.310 nan 0.000 0.526 176 H N 1.208 120.256 119.070 -0.037 0.000 2.524 176 H HA 0.178 4.734 4.556 -0.000 0.000 0.282 176 H C 1.533 176.869 175.328 0.013 0.000 1.016 176 H CA 1.088 57.128 56.048 -0.013 0.000 1.270 176 H CB -0.036 29.708 29.762 -0.030 0.000 1.394 176 H HN 0.451 nan 8.280 nan 0.000 0.568 177 L N -0.426 120.851 121.223 0.090 0.000 2.418 177 L HA 0.172 4.512 4.340 -0.000 0.000 0.218 177 L C 0.884 177.862 176.870 0.181 0.000 1.125 177 L CA 0.550 55.471 54.840 0.135 0.000 0.835 177 L CB 0.385 42.546 42.059 0.169 0.000 0.953 177 L HN 0.290 nan 8.230 nan 0.000 0.454 178 G N -0.139 108.781 108.800 0.200 0.000 2.378 178 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.302 178 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.302 178 G C -0.432 174.578 174.900 0.183 0.000 1.669 178 G CA -0.387 44.805 45.100 0.153 0.000 0.920 178 G HN 0.185 nan 8.290 nan 0.000 0.697 179 N N -0.927 117.829 118.700 0.093 0.000 2.322 179 N HA 0.121 4.861 4.740 -0.000 0.000 0.194 179 N C 0.414 175.974 175.510 0.083 0.000 1.126 179 N CA 0.391 53.496 53.050 0.091 0.000 0.845 179 N CB 0.668 39.183 38.487 0.046 0.000 0.976 179 N HN 0.682 nan 8.380 nan 0.000 0.475 180 T N -1.684 112.908 114.554 0.063 0.000 2.916 180 T HA 0.627 4.977 4.350 -0.000 0.000 0.305 180 T C -1.062 173.606 174.700 -0.052 0.000 1.119 180 T CA -0.811 61.304 62.100 0.025 0.000 1.008 180 T CB 2.369 71.245 68.868 0.013 0.000 1.129 180 T HN 0.070 nan 8.240 nan 0.000 0.480 181 I N 0.851 121.372 120.570 -0.082 0.000 2.894 181 I HA 0.694 4.864 4.170 -0.000 0.000 0.302 181 I C -0.450 175.632 176.117 -0.057 0.000 1.188 181 I CA -0.442 60.726 61.300 -0.220 0.000 1.014 181 I CB 2.526 40.250 38.000 -0.459 0.000 1.242 181 I HN 0.879 nan 8.210 nan 0.000 0.430 182 S N 5.401 121.072 115.700 -0.050 0.000 2.499 182 S HA 0.536 5.006 4.470 -0.000 0.000 0.275 182 S C -1.068 173.613 174.600 0.134 0.000 1.257 182 S CA -0.079 58.139 58.200 0.030 0.000 1.050 182 S CB -0.164 63.038 63.200 0.003 0.000 0.937 182 S HN 0.419 nan 8.310 nan 0.000 0.490 183 F N 5.358 125.295 119.950 -0.021 0.000 2.579 183 F HA 0.452 4.979 4.527 -0.000 0.000 0.325 183 F C 0.199 175.999 175.800 0.001 0.000 1.162 183 F CA -0.856 57.142 58.000 -0.003 0.000 0.946 183 F CB 0.884 39.889 39.000 0.008 0.000 1.211 183 F HN 0.814 nan 8.300 nan 0.000 0.447 184 K N 4.644 124.720 120.400 -0.541 0.000 3.077 184 K HA -0.204 4.116 4.320 -0.000 0.000 0.264 184 K C 0.926 177.408 176.600 -0.198 0.000 1.008 184 K CA 0.868 56.888 56.287 -0.446 0.000 0.740 184 K CB -1.650 30.471 32.500 -0.633 0.000 1.273 184 K HN 1.442 nan 8.250 nan 0.000 0.477 185 G N -1.276 107.457 108.800 -0.112 0.000 2.205 185 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.261 185 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.261 185 G C 0.135 175.020 174.900 -0.026 0.000 0.980 185 G CA 0.317 45.383 45.100 -0.057 0.000 0.632 185 G HN 0.943 nan 8.290 nan 0.000 0.533 186 V N -1.813 118.096 119.914 -0.009 0.000 2.628 186 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 186 V C -0.116 176.009 176.094 0.052 0.000 1.045 186 V CA -0.888 61.426 62.300 0.024 0.000 0.905 186 V CB 2.048 33.891 31.823 0.034 0.000 0.997 186 V HN 0.177 nan 8.190 nan 0.000 0.436 187 D N 2.940 123.362 120.400 0.036 0.000 2.401 187 D HA 0.395 5.035 4.640 -0.000 0.000 0.254 187 D C -0.010 176.321 176.300 0.052 0.000 1.192 187 D CA 0.765 54.785 54.000 0.033 0.000 0.885 187 D CB 0.743 41.554 40.800 0.018 0.000 1.147 187 D HN 0.884 nan 8.370 nan 0.000 0.478 188 T N 3.895 118.487 114.554 0.063 0.000 2.841 188 T HA 0.357 4.707 4.350 -0.000 0.000 0.283 188 T C -0.064 174.665 174.700 0.049 0.000 1.000 188 T CA -0.980 61.164 62.100 0.072 0.000 0.977 188 T CB 0.971 69.910 68.868 0.120 0.000 0.979 188 T HN 0.287 nan 8.240 nan 0.000 0.446 189 N N 1.497 120.224 118.700 0.046 0.000 2.467 189 N HA 0.483 5.223 4.740 -0.000 0.000 0.262 189 N C -0.070 175.472 175.510 0.053 0.000 1.234 189 N CA -0.413 52.665 53.050 0.046 0.000 0.952 189 N CB 1.051 39.562 38.487 0.040 0.000 1.158 189 N HN 0.538 nan 8.380 nan 0.000 0.463 190 V N -2.540 117.418 119.914 0.073 0.000 3.074 190 V HA 0.617 4.737 4.120 -0.000 0.000 0.314 190 V C 0.436 176.581 176.094 0.084 0.000 1.117 190 V CA -1.035 61.319 62.300 0.089 0.000 1.014 190 V CB 1.563 33.480 31.823 0.155 0.000 1.057 190 V HN 0.609 nan 8.190 nan 0.000 0.438 191 S N 0.902 116.664 115.700 0.104 0.000 2.579 191 S HA 0.267 4.737 4.470 -0.000 0.000 0.275 191 S C 1.238 175.877 174.600 0.066 0.000 1.345 191 S CA 0.210 58.479 58.200 0.115 0.000 1.031 191 S CB 1.031 64.378 63.200 0.245 0.000 0.892 191 S HN 1.807 nan 8.310 nan 0.000 0.529 192 S N 1.885 117.597 115.700 0.021 0.000 2.524 192 S HA 0.222 4.692 4.470 -0.000 0.000 0.215 192 S C 0.140 174.693 174.600 -0.080 0.000 0.986 192 S CA -0.470 57.723 58.200 -0.012 0.000 0.911 192 S CB -0.161 63.034 63.200 -0.007 0.000 0.805 192 S HN 0.739 nan 8.310 nan 0.000 0.501 193 E N 1.608 121.695 120.200 -0.188 0.000 2.398 193 E HA 0.038 4.388 4.350 -0.000 0.000 0.263 193 E C -0.950 175.355 176.600 -0.492 0.000 1.046 193 E CA -0.281 55.848 56.400 -0.452 0.000 0.908 193 E CB 0.283 29.433 29.700 -0.916 0.000 0.963 193 E HN 0.466 nan 8.360 nan 0.000 0.431 194 Y N 2.792 122.796 120.300 -0.494 0.000 2.644 194 Y HA -0.030 4.520 4.550 -0.000 0.000 0.354 194 Y C -0.069 175.649 175.900 -0.303 0.000 1.166 194 Y CA 0.207 58.128 58.100 -0.298 0.000 1.591 194 Y CB -0.449 37.903 38.460 -0.181 0.000 1.346 194 Y HN 0.373 nan 8.280 nan 0.000 0.497 195 F N 2.150 121.942 119.950 -0.263 0.000 2.619 195 F HA 0.530 5.057 4.527 -0.000 0.000 0.281 195 F C 0.839 176.457 175.800 -0.303 0.000 1.065 195 F CA 0.094 57.957 58.000 -0.229 0.000 1.304 195 F CB -0.144 38.783 39.000 -0.122 0.000 1.059 195 F HN 0.395 nan 8.300 nan 0.000 0.648 196 A N 0.696 123.422 122.820 -0.156 0.000 2.515 196 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 196 A C -0.842 176.585 177.584 -0.263 0.000 1.059 196 A CA -0.555 51.373 52.037 -0.181 0.000 0.698 196 A CB 1.383 20.322 19.000 -0.101 0.000 1.289 196 A HN 0.185 nan 8.150 nan 0.000 0.404 197 I N -1.692 118.748 120.570 -0.217 0.000 3.206 197 I HA 0.618 4.788 4.170 -0.000 0.000 0.313 197 I C 1.215 177.193 176.117 -0.232 0.000 1.103 197 I CA -0.388 60.779 61.300 -0.222 0.000 0.985 197 I CB 1.764 39.661 38.000 -0.171 0.000 1.240 197 I HN 0.631 nan 8.210 nan 0.000 0.464 198 T N -0.596 113.777 114.554 -0.303 0.000 2.849 198 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 198 T C 1.728 176.317 174.700 -0.184 0.000 1.066 198 T CA 1.287 63.168 62.100 -0.365 0.000 1.130 198 T CB -0.576 67.894 68.868 -0.664 0.000 0.864 198 T HN 0.768 nan 8.240 nan 0.000 0.481 199 A N 2.704 125.354 122.820 -0.284 0.000 1.877 199 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 199 A C 2.226 179.664 177.584 -0.245 0.000 1.186 199 A CA 1.721 53.475 52.037 -0.471 0.000 0.620 199 A CB -0.776 17.464 19.000 -1.267 0.000 0.822 199 A HN 0.502 nan 8.150 nan 0.000 0.443 200 D N 0.143 120.484 120.400 -0.099 0.000 2.149 200 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 200 D C 1.875 178.208 176.300 0.055 0.000 0.990 200 D CA 1.165 55.212 54.000 0.077 0.000 0.839 200 D CB -0.295 40.540 40.800 0.058 0.000 0.948 200 D HN 0.354 nan 8.370 nan 0.000 0.460 201 I N 1.097 121.691 120.570 0.039 0.000 2.202 201 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 201 I C 2.417 178.614 176.117 0.133 0.000 1.091 201 I CA 0.852 62.223 61.300 0.118 0.000 1.368 201 I CB -1.190 36.940 38.000 0.217 0.000 1.058 201 I HN -0.120 nan 8.210 nan 0.000 0.410 202 S N 0.682 116.476 115.700 0.157 0.000 2.382 202 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 202 S C 2.264 176.895 174.600 0.051 0.000 1.027 202 S CA 0.977 59.250 58.200 0.122 0.000 0.991 202 S CB -0.296 62.992 63.200 0.145 0.000 0.823 202 S HN 0.233 nan 8.310 nan 0.000 0.469 203 V N 1.332 121.285 119.914 0.064 0.000 2.270 203 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 203 V C 2.333 178.456 176.094 0.048 0.000 1.043 203 V CA 1.390 63.737 62.300 0.079 0.000 1.014 203 V CB -0.700 31.215 31.823 0.153 0.000 0.645 203 V HN 0.331 nan 8.190 nan 0.000 0.447 204 V N -0.075 119.868 119.914 0.048 0.000 2.392 204 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 204 V C 1.941 178.032 176.094 -0.005 0.000 1.059 204 V CA 1.794 64.112 62.300 0.029 0.000 1.051 204 V CB -0.470 31.378 31.823 0.042 0.000 0.658 204 V HN 0.469 nan 8.190 nan 0.000 0.455 205 L N -0.672 120.527 121.223 -0.040 0.000 2.611 205 L HA 0.205 4.545 4.340 -0.000 0.000 0.229 205 L C 0.693 177.494 176.870 -0.115 0.000 1.137 205 L CA 0.129 54.896 54.840 -0.122 0.000 0.901 205 L CB -0.569 41.316 42.059 -0.290 0.000 1.098 205 L HN 0.387 nan 8.230 nan 0.000 0.456 206 E N 0.460 120.628 120.200 -0.053 0.000 2.269 206 E HA -0.224 4.126 4.350 -0.000 0.000 0.223 206 E C 0.714 177.286 176.600 -0.047 0.000 1.244 206 E CA 0.031 56.411 56.400 -0.033 0.000 0.713 206 E CB -0.414 29.271 29.700 -0.026 0.000 1.178 206 E HN 0.283 nan 8.360 nan 0.000 0.370 207 K N -0.570 119.799 120.400 -0.053 0.000 2.356 207 K HA 0.097 4.417 4.320 -0.000 0.000 0.195 207 K C 0.776 177.374 176.600 -0.003 0.000 1.037 207 K CA 1.041 57.300 56.287 -0.047 0.000 1.014 207 K CB 0.751 33.211 32.500 -0.067 0.000 0.815 207 K HN 0.321 nan 8.250 nan 0.000 0.507 208 V N -1.904 118.017 119.914 0.012 0.000 3.120 208 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 208 V C -0.231 175.883 176.094 0.032 0.000 1.238 208 V CA -1.123 61.192 62.300 0.025 0.000 1.008 208 V CB 1.563 33.408 31.823 0.037 0.000 1.064 208 V HN 0.168 nan 8.190 nan 0.000 0.434 209 T N -0.639 113.935 114.554 0.033 0.000 2.868 209 T HA 0.270 4.620 4.350 -0.000 0.000 0.292 209 T C 1.128 175.865 174.700 0.062 0.000 1.028 209 T CA 0.697 62.820 62.100 0.037 0.000 1.059 209 T CB 0.952 69.835 68.868 0.025 0.000 0.991 209 T HN 0.926 nan 8.240 nan 0.000 0.531 210 T N 0.950 115.541 114.554 0.063 0.000 2.720 210 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 210 T C 1.606 176.358 174.700 0.087 0.000 1.037 210 T CA 1.295 63.447 62.100 0.086 0.000 1.144 210 T CB -0.336 68.560 68.868 0.048 0.000 0.864 210 T HN 0.648 nan 8.240 nan 0.000 0.444 211 E N 1.063 121.294 120.200 0.051 0.000 2.515 211 E HA -0.017 4.333 4.350 -0.000 0.000 0.201 211 E C 1.323 177.952 176.600 0.048 0.000 1.071 211 E CA 0.466 56.888 56.400 0.037 0.000 0.880 211 E CB -0.128 29.581 29.700 0.014 0.000 0.828 211 E HN 0.625 nan 8.360 nan 0.000 0.540 212 E N -0.597 119.647 120.200 0.075 0.000 2.498 212 E HA -0.014 4.336 4.350 -0.000 0.000 0.203 212 E C -0.362 176.302 176.600 0.108 0.000 1.013 212 E CA -0.281 56.159 56.400 0.067 0.000 0.927 212 E CB 0.299 30.026 29.700 0.045 0.000 1.012 212 E HN 0.076 nan 8.360 nan 0.000 0.482 213 Y N 1.664 121.967 120.300 0.006 0.000 2.636 213 Y HA 0.068 4.618 4.550 -0.000 0.000 0.334 213 Y C 1.045 176.945 175.900 -0.000 0.000 1.286 213 Y CA -0.009 58.097 58.100 0.010 0.000 1.688 213 Y CB -0.303 38.162 38.460 0.008 0.000 1.662 213 Y HN -0.121 nan 8.280 nan 0.000 0.465 214 T N 2.252 116.918 114.554 0.187 0.000 2.821 214 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 214 T C 1.067 175.845 174.700 0.129 0.000 1.046 214 T CA 1.206 63.371 62.100 0.108 0.000 1.139 214 T CB -0.473 68.419 68.868 0.040 0.000 0.871 214 T HN 0.717 nan 8.240 nan 0.000 0.454 215 C N 1.640 121.046 119.300 0.176 0.000 2.553 215 C HA 0.482 4.941 4.460 -0.000 0.000 0.345 215 C C 0.391 175.529 174.990 0.247 0.000 1.369 215 C CA -1.744 57.376 59.018 0.169 0.000 2.447 215 C CB 0.074 27.891 27.740 0.128 0.000 2.358 215 C HN 0.281 nan 8.230 nan 0.000 0.676 216 D N 1.396 121.907 120.400 0.185 0.000 2.372 216 D HA 0.315 4.955 4.640 -0.000 0.000 0.243 216 D C 0.493 176.932 176.300 0.230 0.000 1.121 216 D CA 0.593 54.686 54.000 0.155 0.000 0.898 216 D CB 1.321 42.192 40.800 0.117 0.000 1.202 216 D HN 0.888 nan 8.370 nan 0.000 0.428 217 T N -0.837 113.784 114.554 0.112 0.000 2.910 217 T HA 0.240 4.590 4.350 -0.000 0.000 0.293 217 T C -1.790 172.986 174.700 0.127 0.000 1.015 217 T CA -1.464 60.699 62.100 0.104 0.000 1.094 217 T CB 1.466 70.269 68.868 -0.108 0.000 0.968 217 T HN -0.003 nan 8.240 nan 0.000 0.521 218 P HA -0.109 nan 4.420 nan 0.000 0.216 218 P C 0.893 178.263 177.300 0.116 0.000 1.150 218 P CA 1.265 64.398 63.100 0.055 0.000 0.843 218 P CB 0.046 31.580 31.700 -0.276 0.000 0.787 219 D N -3.521 116.923 120.400 0.072 0.000 2.398 219 D HA 0.165 4.805 4.640 -0.000 0.000 0.210 219 D C 1.277 177.602 176.300 0.043 0.000 1.094 219 D CA 0.443 54.487 54.000 0.073 0.000 0.839 219 D CB -0.665 40.170 40.800 0.058 0.000 0.963 219 D HN 0.169 nan 8.370 nan 0.000 0.506 220 G N 0.310 109.127 108.800 0.028 0.000 2.143 220 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 220 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 220 G C 0.426 175.311 174.900 -0.025 0.000 0.981 220 G CA 0.298 45.402 45.100 0.005 0.000 0.665 220 G HN 0.340 nan 8.290 nan 0.000 0.528 221 K N 0.348 120.725 120.400 -0.040 0.000 2.488 221 K HA 0.567 4.887 4.320 -0.000 0.000 0.255 221 K C 1.444 177.982 176.600 -0.103 0.000 1.036 221 K CA 0.059 56.312 56.287 -0.056 0.000 0.990 221 K CB -0.106 32.367 32.500 -0.045 0.000 1.304 221 K HN 0.310 nan 8.250 nan 0.000 0.505 222 G N -0.192 108.549 108.800 -0.099 0.000 2.684 222 G HA2 0.047 4.007 3.960 -0.000 0.000 0.255 222 G HA3 0.047 4.007 3.960 -0.000 0.000 0.255 222 G C 0.678 175.450 174.900 -0.214 0.000 1.219 222 G CA -0.018 45.003 45.100 -0.131 0.000 0.901 222 G HN 0.554 nan 8.290 nan 0.000 0.548 223 T N -2.175 112.232 114.554 -0.245 0.000 3.105 223 T HA 0.132 4.482 4.350 -0.000 0.000 0.253 223 T C 0.607 175.252 174.700 -0.092 0.000 1.047 223 T CA 0.290 62.190 62.100 -0.334 0.000 0.944 223 T CB -0.294 68.342 68.868 -0.386 0.000 1.016 223 T HN 0.638 nan 8.240 nan 0.000 0.544 224 D N 1.257 121.621 120.400 -0.061 0.000 2.363 224 D HA 0.036 4.676 4.640 -0.000 0.000 0.240 224 D C 1.121 177.427 176.300 0.011 0.000 1.236 224 D CA -0.578 53.414 54.000 -0.013 0.000 0.927 224 D CB 1.545 42.334 40.800 -0.018 0.000 1.150 224 D HN 0.135 nan 8.370 nan 0.000 0.458 225 K N -0.050 120.363 120.400 0.021 0.000 2.063 225 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 225 K C 2.074 178.685 176.600 0.019 0.000 1.048 225 K CA 0.710 57.014 56.287 0.029 0.000 0.928 225 K CB 0.039 32.553 32.500 0.023 0.000 0.713 225 K HN 0.236 nan 8.250 nan 0.000 0.442 226 R N 0.680 121.185 120.500 0.007 0.000 2.081 226 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 226 R C 2.046 178.343 176.300 -0.005 0.000 1.131 226 R CA 1.703 57.804 56.100 0.002 0.000 0.960 226 R CB -0.495 29.803 30.300 -0.003 0.000 0.856 226 R HN 0.183 nan 8.270 nan 0.000 0.436 227 S N 0.187 115.881 115.700 -0.012 0.000 2.423 227 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 227 S C 1.912 176.507 174.600 -0.008 0.000 1.014 227 S CA 1.100 59.286 58.200 -0.022 0.000 0.965 227 S CB 0.063 63.237 63.200 -0.044 0.000 0.785 227 S HN 0.313 nan 8.310 nan 0.000 0.495 228 S N 1.474 117.184 115.700 0.017 0.000 2.414 228 S HA 0.184 4.654 4.470 -0.000 0.000 0.227 228 S C 1.690 176.305 174.600 0.025 0.000 1.022 228 S CA 0.495 58.724 58.200 0.048 0.000 0.958 228 S CB -0.204 63.053 63.200 0.095 0.000 0.797 228 S HN 0.380 nan 8.310 nan 0.000 0.493 229 L N 0.900 122.132 121.223 0.016 0.000 2.156 229 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 229 L C 2.224 179.085 176.870 -0.015 0.000 1.095 229 L CA 0.627 55.473 54.840 0.009 0.000 0.770 229 L CB -0.567 41.501 42.059 0.014 0.000 0.914 229 L HN 0.192 nan 8.230 nan 0.000 0.439 230 V N -0.061 119.838 119.914 -0.025 0.000 2.261 230 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 230 V C 2.626 178.673 176.094 -0.078 0.000 1.047 230 V CA 1.763 64.033 62.300 -0.051 0.000 1.015 230 V CB -0.568 31.227 31.823 -0.048 0.000 0.642 230 V HN 0.408 nan 8.190 nan 0.000 0.446 231 R N -0.430 120.037 120.500 -0.056 0.000 2.091 231 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 231 R C 2.253 178.511 176.300 -0.071 0.000 1.136 231 R CA 1.809 57.872 56.100 -0.061 0.000 0.959 231 R CB -0.485 29.805 30.300 -0.017 0.000 0.856 231 R HN 0.441 nan 8.270 nan 0.000 0.437 232 I N 0.430 120.973 120.570 -0.045 0.000 2.286 232 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 232 I C 2.115 178.192 176.117 -0.066 0.000 1.115 232 I CA 1.150 62.426 61.300 -0.039 0.000 1.392 232 I CB -0.155 37.845 38.000 -0.000 0.000 1.065 232 I HN 0.100 nan 8.210 nan 0.000 0.418 233 S N 0.484 116.131 115.700 -0.089 0.000 2.399 233 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 233 S C 1.863 176.352 174.600 -0.184 0.000 1.022 233 S CA 1.182 59.308 58.200 -0.124 0.000 0.983 233 S CB -0.168 62.968 63.200 -0.106 0.000 0.803 233 S HN 0.406 nan 8.310 nan 0.000 0.480 234 K N 0.803 121.046 120.400 -0.262 0.000 2.283 234 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 234 K C 1.721 178.154 176.600 -0.278 0.000 1.048 234 K CA 0.663 56.656 56.287 -0.489 0.000 0.948 234 K CB -0.190 31.698 32.500 -1.021 0.000 0.742 234 K HN 0.189 nan 8.250 nan 0.000 0.458 235 V N 0.937 120.803 119.914 -0.079 0.000 2.594 235 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 235 V C 1.231 177.339 176.094 0.023 0.000 1.069 235 V CA 1.290 63.627 62.300 0.063 0.000 1.082 235 V CB -0.232 31.610 31.823 0.031 0.000 0.680 235 V HN 0.211 nan 8.190 nan 0.000 0.469 236 L N -0.784 120.392 121.223 -0.078 0.000 3.017 236 L HA 0.357 4.697 4.340 -0.000 0.000 0.255 236 L C 0.767 177.576 176.870 -0.103 0.000 1.247 236 L CA -0.000 54.771 54.840 -0.116 0.000 1.038 236 L CB -0.494 41.393 42.059 -0.287 0.000 1.380 236 L HN 0.376 nan 8.230 nan 0.000 0.548 237 C N -0.736 118.515 119.300 -0.081 0.000 4.268 237 C HA -0.176 4.284 4.460 -0.000 0.000 0.299 237 C C 1.322 176.248 174.990 -0.107 0.000 1.429 237 C CA 0.881 59.849 59.018 -0.083 0.000 2.018 237 C CB -3.010 24.719 27.740 -0.018 0.000 1.277 237 C HN 0.720 nan 8.230 nan 0.000 0.767 238 S N -0.192 115.422 115.700 -0.144 0.000 2.900 238 S HA 0.814 5.284 4.470 -0.000 0.000 0.320 238 S C -0.912 173.613 174.600 -0.125 0.000 1.130 238 S CA 0.299 58.430 58.200 -0.115 0.000 0.863 238 S CB 1.723 64.855 63.200 -0.113 0.000 1.295 238 S HN 0.699 nan 8.310 nan 0.000 0.596 239 D N -0.754 119.596 120.400 -0.084 0.000 2.643 239 D HA 0.252 4.892 4.640 -0.000 0.000 0.283 239 D C -0.056 176.220 176.300 -0.040 0.000 1.242 239 D CA -0.738 53.217 54.000 -0.075 0.000 0.863 239 D CB -0.182 40.575 40.800 -0.072 0.000 1.382 239 D HN 0.366 nan 8.370 nan 0.000 0.444 240 L N 0.048 121.252 121.223 -0.032 0.000 2.711 240 L HA 0.087 4.427 4.340 -0.000 0.000 0.242 240 L C 0.391 177.259 176.870 -0.003 0.000 1.153 240 L CA 0.650 55.484 54.840 -0.011 0.000 0.898 240 L CB -0.416 41.636 42.059 -0.011 0.000 1.044 240 L HN 0.396 nan 8.230 nan 0.000 0.437 241 D N -1.118 119.278 120.400 -0.006 0.000 2.422 241 D HA -0.077 4.563 4.640 -0.000 0.000 0.218 241 D C 1.863 178.168 176.300 0.008 0.000 1.047 241 D CA 0.387 54.387 54.000 -0.000 0.000 0.885 241 D CB 0.601 41.398 40.800 -0.006 0.000 1.035 241 D HN 0.348 nan 8.370 nan 0.000 0.502 242 Q N 0.501 120.306 119.800 0.008 0.000 2.204 242 Q HA 0.081 4.421 4.340 -0.000 0.000 0.198 242 Q C 0.831 176.860 176.000 0.048 0.000 0.946 242 Q CA 0.458 56.275 55.803 0.022 0.000 0.859 242 Q CB 0.589 29.334 28.738 0.012 0.000 0.946 242 Q HN 0.300 nan 8.270 nan 0.000 0.474 243 I N -1.717 118.884 120.570 0.051 0.000 3.002 243 I HA 0.550 4.720 4.170 -0.000 0.000 0.310 243 I C -0.264 175.893 176.117 0.066 0.000 1.087 243 I CA -1.267 60.090 61.300 0.095 0.000 1.017 243 I CB 2.037 40.130 38.000 0.156 0.000 1.226 243 I HN -0.091 nan 8.210 nan 0.000 0.443 244 S N 1.412 117.157 115.700 0.076 0.000 2.652 244 S HA 0.326 4.796 4.470 -0.000 0.000 0.270 244 S C 0.629 175.262 174.600 0.056 0.000 1.243 244 S CA -0.454 57.777 58.200 0.053 0.000 0.999 244 S CB 1.511 64.737 63.200 0.044 0.000 0.973 244 S HN 0.801 nan 8.310 nan 0.000 0.544 245 E N 0.293 120.516 120.200 0.039 0.000 2.160 245 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 245 E C 1.647 178.277 176.600 0.050 0.000 0.991 245 E CA 1.396 57.818 56.400 0.037 0.000 0.810 245 E CB -0.461 29.254 29.700 0.025 0.000 0.742 245 E HN 0.669 nan 8.360 nan 0.000 0.466 246 I N 1.475 122.075 120.570 0.050 0.000 2.226 246 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 246 I C 1.935 178.103 176.117 0.085 0.000 1.100 246 I CA 1.008 62.340 61.300 0.054 0.000 1.374 246 I CB -0.243 37.780 38.000 0.038 0.000 1.057 246 I HN 0.020 nan 8.210 nan 0.000 0.413 247 D N 1.165 121.634 120.400 0.114 0.000 2.117 247 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 247 D C 2.274 178.717 176.300 0.239 0.000 0.987 247 D CA 1.638 55.767 54.000 0.214 0.000 0.829 247 D CB -0.087 40.888 40.800 0.293 0.000 0.961 247 D HN 0.371 nan 8.370 nan 0.000 0.460 248 A N 1.123 124.028 122.820 0.142 0.000 1.877 248 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 248 A C 2.119 179.766 177.584 0.106 0.000 1.186 248 A CA 1.633 53.727 52.037 0.095 0.000 0.620 248 A CB -0.616 18.413 19.000 0.048 0.000 0.822 248 A HN 0.218 nan 8.150 nan 0.000 0.443 249 E N -0.175 120.080 120.200 0.092 0.000 2.160 249 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 249 E C 1.530 178.196 176.600 0.109 0.000 0.991 249 E CA 1.266 57.717 56.400 0.084 0.000 0.810 249 E CB -0.102 29.634 29.700 0.059 0.000 0.742 249 E HN 0.557 nan 8.360 nan 0.000 0.466 250 N N 0.506 119.285 118.700 0.132 0.000 2.270 250 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 250 N C 1.720 177.344 175.510 0.190 0.000 1.016 250 N CA 0.647 53.784 53.050 0.146 0.000 0.870 250 N CB -0.089 38.480 38.487 0.137 0.000 0.979 250 N HN 0.237 nan 8.380 nan 0.000 0.431 251 I N 1.226 121.929 120.570 0.223 0.000 2.179 251 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 251 I C 2.230 178.520 176.117 0.290 0.000 1.088 251 I CA 0.811 62.257 61.300 0.243 0.000 1.357 251 I CB -1.396 36.714 38.000 0.182 0.000 1.051 251 I HN 0.019 nan 8.210 nan 0.000 0.409 252 A N 0.869 123.828 122.820 0.232 0.000 1.898 252 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 252 A C 2.351 180.102 177.584 0.277 0.000 1.181 252 A CA 1.472 53.657 52.037 0.246 0.000 0.620 252 A CB -0.472 18.619 19.000 0.152 0.000 0.819 252 A HN 0.365 nan 8.150 nan 0.000 0.442 253 K N -0.280 120.243 120.400 0.206 0.000 2.097 253 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 253 K C 1.760 178.509 176.600 0.249 0.000 1.050 253 K CA 1.579 57.995 56.287 0.215 0.000 0.938 253 K CB -0.289 32.294 32.500 0.138 0.000 0.718 253 K HN 0.598 nan 8.250 nan 0.000 0.442 254 N N -0.387 118.426 118.700 0.188 0.000 2.188 254 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 254 N C 1.497 177.070 175.510 0.105 0.000 1.018 254 N CA 0.801 53.914 53.050 0.104 0.000 0.858 254 N CB -0.033 38.470 38.487 0.027 0.000 0.989 254 N HN 0.125 nan 8.380 nan 0.000 0.426 255 Y N -0.389 120.026 120.300 0.192 0.000 2.314 255 Y HA -0.137 4.413 4.550 -0.000 0.000 0.293 255 Y C 1.999 178.096 175.900 0.328 0.000 1.129 255 Y CA 0.768 58.989 58.100 0.202 0.000 1.201 255 Y CB -0.371 38.182 38.460 0.154 0.000 0.999 255 Y HN 0.160 nan 8.280 nan 0.000 0.541 256 Y N 1.164 121.695 120.300 0.385 0.000 2.224 256 Y HA -0.210 4.340 4.550 0.000 0.000 0.289 256 Y C 2.087 178.140 175.900 0.255 0.000 1.146 256 Y CA 1.623 59.949 58.100 0.377 0.000 1.182 256 Y CB -0.105 38.493 38.460 0.231 0.000 0.983 256 Y HN 0.052 nan 8.280 nan 0.000 0.524 257 E N 0.259 120.559 120.200 0.167 0.000 2.047 257 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 257 E C 2.380 179.006 176.600 0.044 0.000 0.987 257 E CA 1.361 57.775 56.400 0.023 0.000 0.799 257 E CB -0.611 29.123 29.700 0.057 0.000 0.752 257 E HN 0.518 nan 8.360 nan 0.000 0.449 258 L N -0.187 121.107 121.223 0.119 0.000 2.083 258 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 258 L C 2.476 179.476 176.870 0.217 0.000 1.083 258 L CA 1.044 55.963 54.840 0.133 0.000 0.752 258 L CB -0.498 41.642 42.059 0.134 0.000 0.899 258 L HN 0.248 nan 8.230 nan 0.000 0.433 259 W N 1.860 123.180 121.300 0.034 0.000 2.354 259 W HA -0.202 4.458 4.660 -0.000 0.000 0.315 259 W C 2.453 178.924 176.519 -0.080 0.000 1.206 259 W CA 1.437 58.788 57.345 0.010 0.000 1.290 259 W CB -0.411 29.067 29.460 0.030 0.000 1.152 259 W HN -0.021 nan 8.180 nan 0.000 0.489 260 K N -0.079 120.249 120.400 -0.119 0.000 2.057 260 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 260 K C 2.062 178.619 176.600 -0.071 0.000 1.049 260 K CA 1.915 58.046 56.287 -0.261 0.000 0.931 260 K CB -0.605 31.658 32.500 -0.396 0.000 0.714 260 K HN 0.183 nan 8.250 nan 0.000 0.440 261 E N 0.633 120.826 120.200 -0.012 0.000 2.160 261 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 261 E C 1.856 178.489 176.600 0.055 0.000 0.991 261 E CA 0.785 57.198 56.400 0.022 0.000 0.810 261 E CB 0.087 29.805 29.700 0.030 0.000 0.742 261 E HN 0.087 nan 8.360 nan 0.000 0.466 262 L N 0.773 122.056 121.223 0.099 0.000 2.109 262 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 262 L C 2.016 178.956 176.870 0.116 0.000 1.086 262 L CA 1.102 56.018 54.840 0.125 0.000 0.760 262 L CB -0.294 41.874 42.059 0.182 0.000 0.910 262 L HN 0.221 nan 8.230 nan 0.000 0.437 263 I N -0.972 119.660 120.570 0.103 0.000 2.142 263 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 263 I C 2.488 178.618 176.117 0.021 0.000 1.078 263 I CA 1.178 62.511 61.300 0.054 0.000 1.343 263 I CB -1.302 36.687 38.000 -0.017 0.000 1.046 263 I HN 0.281 nan 8.210 nan 0.000 0.405 264 L N 1.681 122.916 121.223 0.020 0.000 1.989 264 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 264 L C 2.635 179.545 176.870 0.067 0.000 1.071 264 L CA 2.276 57.148 54.840 0.053 0.000 0.749 264 L CB -0.855 41.243 42.059 0.066 0.000 0.890 264 L HN 0.476 nan 8.230 nan 0.000 0.431 265 E N -1.661 118.569 120.200 0.050 0.000 2.110 265 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 265 E C 1.844 178.439 176.600 -0.008 0.000 0.988 265 E CA 1.477 57.893 56.400 0.027 0.000 0.804 265 E CB -0.660 29.056 29.700 0.027 0.000 0.745 265 E HN 0.611 nan 8.360 nan 0.000 0.458 266 N N 0.832 119.550 118.700 0.030 0.000 2.106 266 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 266 N C 2.074 177.578 175.510 -0.011 0.000 1.029 266 N CA 1.699 54.773 53.050 0.041 0.000 0.848 266 N CB -0.038 38.518 38.487 0.116 0.000 1.007 266 N HN 0.095 nan 8.380 nan 0.000 0.423 267 V N 2.119 122.014 119.914 -0.032 0.000 2.392 267 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 267 V C 2.074 178.159 176.094 -0.016 0.000 1.059 267 V CA 1.589 63.823 62.300 -0.110 0.000 1.051 267 V CB -0.519 31.134 31.823 -0.284 0.000 0.658 267 V HN 0.304 nan 8.190 nan 0.000 0.455 268 E N 0.087 120.346 120.200 0.097 0.000 2.051 268 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 268 E C 2.206 178.836 176.600 0.050 0.000 0.991 268 E CA 1.320 57.833 56.400 0.187 0.000 0.799 268 E CB -0.270 29.506 29.700 0.127 0.000 0.748 268 E HN 0.578 nan 8.360 nan 0.000 0.449 269 N N 0.542 119.195 118.700 -0.078 0.000 2.061 269 N HA -0.160 4.580 4.740 -0.000 0.000 0.193 269 N C 2.021 177.490 175.510 -0.069 0.000 1.030 269 N CA 1.334 54.275 53.050 -0.183 0.000 0.856 269 N CB -0.194 37.944 38.487 -0.581 0.000 1.023 269 N HN 0.018 nan 8.380 nan 0.000 0.424 270 V N 1.651 121.564 119.914 -0.001 0.000 2.358 270 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 270 V C 2.467 178.669 176.094 0.179 0.000 1.047 270 V CA 1.751 64.121 62.300 0.116 0.000 1.035 270 V CB -0.904 30.982 31.823 0.106 0.000 0.658 270 V HN 0.294 nan 8.190 nan 0.000 0.452 271 A N -0.435 122.468 122.820 0.140 0.000 1.972 271 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 271 A C 2.176 179.841 177.584 0.136 0.000 1.169 271 A CA 1.433 53.589 52.037 0.199 0.000 0.635 271 A CB -0.366 18.840 19.000 0.343 0.000 0.810 271 A HN 0.521 nan 8.150 nan 0.000 0.446 272 E N 0.424 120.662 120.200 0.063 0.000 2.110 272 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 272 E C 1.864 178.420 176.600 -0.075 0.000 0.988 272 E CA 1.271 57.668 56.400 -0.004 0.000 0.804 272 E CB -0.262 29.419 29.700 -0.030 0.000 0.745 272 E HN 0.682 nan 8.360 nan 0.000 0.458 273 K N -0.194 120.108 120.400 -0.164 0.000 2.062 273 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 273 K C 1.589 177.870 176.600 -0.532 0.000 1.051 273 K CA 1.127 57.157 56.287 -0.429 0.000 0.941 273 K CB -0.081 31.980 32.500 -0.732 0.000 0.719 273 K HN 0.178 nan 8.250 nan 0.000 0.440 274 Y N -0.448 119.861 120.300 0.015 0.000 2.458 274 Y HA 0.245 4.795 4.550 -0.000 0.000 0.256 274 Y C 1.187 177.099 175.900 0.021 0.000 1.159 274 Y CA 0.004 58.113 58.100 0.016 0.000 1.261 274 Y CB 0.618 39.085 38.460 0.012 0.000 1.119 274 Y HN 0.186 nan 8.280 nan 0.000 0.524 275 G N 0.632 109.496 108.800 0.106 0.000 2.203 275 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.263 275 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.263 275 G C 0.112 175.080 174.900 0.112 0.000 1.012 275 G CA 0.441 45.591 45.100 0.084 0.000 0.749 275 G HN 0.285 nan 8.290 nan 0.000 0.512 276 S N -0.828 114.968 115.700 0.161 0.000 2.576 276 S HA 0.455 4.925 4.470 -0.000 0.000 0.276 276 S C 1.204 175.929 174.600 0.207 0.000 1.339 276 S CA 0.304 58.597 58.200 0.155 0.000 1.039 276 S CB 1.584 64.868 63.200 0.140 0.000 0.902 276 S HN 0.484 nan 8.310 nan 0.000 0.516 277 K N 0.517 121.026 120.400 0.181 0.000 2.491 277 K HA 0.160 4.480 4.320 -0.000 0.000 0.211 277 K C -0.354 176.414 176.600 0.281 0.000 1.210 277 K CA 0.173 56.594 56.287 0.223 0.000 1.003 277 K CB 0.536 33.085 32.500 0.081 0.000 1.009 277 K HN 0.387 nan 8.250 nan 0.000 0.577 278 K N 1.938 122.440 120.400 0.169 0.000 2.206 278 K HA 0.327 4.647 4.320 -0.000 0.000 0.264 278 K C -0.688 175.931 176.600 0.033 0.000 0.967 278 K CA -0.687 55.662 56.287 0.104 0.000 0.844 278 K CB 2.444 34.971 32.500 0.046 0.000 1.099 278 K HN -0.146 nan 8.250 nan 0.000 0.441 279 V N -0.402 119.508 119.914 -0.006 0.000 2.604 279 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 279 V C -0.594 175.468 176.094 -0.053 0.000 1.043 279 V CA -0.866 61.377 62.300 -0.095 0.000 0.888 279 V CB 1.798 33.480 31.823 -0.234 0.000 0.995 279 V HN 0.403 nan 8.190 nan 0.000 0.429 280 V N 6.615 126.497 119.914 -0.053 0.000 2.347 280 V HA 0.520 4.640 4.120 -0.000 0.000 0.280 280 V C 0.161 176.246 176.094 -0.014 0.000 1.021 280 V CA -0.331 61.955 62.300 -0.025 0.000 0.847 280 V CB 1.188 32.994 31.823 -0.029 0.000 0.990 280 V HN 0.960 nan 8.190 nan 0.000 0.444 281 I N 2.375 122.946 120.570 0.002 0.000 2.460 281 I HA 0.934 5.104 4.170 -0.000 0.000 0.298 281 I C -0.246 175.895 176.117 0.041 0.000 0.989 281 I CA -0.019 61.285 61.300 0.006 0.000 1.173 281 I CB 2.252 40.245 38.000 -0.013 0.000 1.338 281 I HN 0.574 nan 8.210 nan 0.000 0.456 282 T N 2.641 117.220 114.554 0.042 0.000 2.711 282 T HA 0.769 5.119 4.350 -0.000 0.000 0.302 282 T C -0.457 174.269 174.700 0.042 0.000 1.373 282 T CA 0.284 62.418 62.100 0.057 0.000 1.000 282 T CB 1.234 70.156 68.868 0.091 0.000 1.483 282 T HN 1.873 nan 8.240 nan 0.000 0.499 283 G N 0.576 109.401 108.800 0.042 0.000 2.663 283 G HA2 0.004 3.964 3.960 -0.000 0.000 0.686 283 G HA3 0.004 3.964 3.960 -0.000 0.000 0.686 283 G C 0.256 175.181 174.900 0.042 0.000 1.288 283 G CA -0.114 45.011 45.100 0.041 0.000 0.836 283 G HN 1.279 nan 8.290 nan 0.000 0.584 284 L N 0.955 122.207 121.223 0.047 0.000 2.261 284 L HA 0.207 4.547 4.340 -0.000 0.000 0.216 284 L C 2.509 179.408 176.870 0.049 0.000 1.114 284 L CA 3.423 58.293 54.840 0.050 0.000 0.777 284 L CB -0.460 41.631 42.059 0.054 0.000 0.910 284 L HN 1.275 nan 8.230 nan 0.000 0.440 285 G N -2.139 106.690 108.800 0.048 0.000 3.284 285 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.236 285 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.236 285 G C 1.166 176.065 174.900 -0.002 0.000 1.158 285 G CA -0.087 45.035 45.100 0.038 0.000 0.774 285 G HN 0.359 nan 8.290 nan 0.000 0.545 286 E N 0.963 121.167 120.200 0.007 0.000 2.086 286 E HA -0.274 4.076 4.350 -0.000 0.000 0.205 286 E C 2.146 178.736 176.600 -0.015 0.000 1.027 286 E CA 1.624 58.024 56.400 -0.001 0.000 0.830 286 E CB -0.002 29.707 29.700 0.015 0.000 0.751 286 E HN 0.424 nan 8.360 nan 0.000 0.456 287 N N 0.199 118.892 118.700 -0.011 0.000 2.069 287 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 287 N C 1.912 177.405 175.510 -0.029 0.000 1.031 287 N CA 1.242 54.284 53.050 -0.013 0.000 0.852 287 N CB -0.159 38.325 38.487 -0.006 0.000 1.018 287 N HN 0.157 nan 8.380 nan 0.000 0.423 288 I N -0.236 120.293 120.570 -0.069 0.000 2.286 288 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 288 I C 1.660 177.664 176.117 -0.189 0.000 1.115 288 I CA 0.574 61.782 61.300 -0.154 0.000 1.392 288 I CB -0.162 37.613 38.000 -0.374 0.000 1.065 288 I HN 0.138 nan 8.210 nan 0.000 0.418 289 L N 1.420 122.563 121.223 -0.134 0.000 2.017 289 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 289 L C 2.628 179.454 176.870 -0.073 0.000 1.073 289 L CA 1.916 56.692 54.840 -0.107 0.000 0.745 289 L CB -0.875 41.143 42.059 -0.067 0.000 0.894 289 L HN 0.314 nan 8.230 nan 0.000 0.432 290 K N -1.548 118.826 120.400 -0.043 0.000 2.211 290 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 290 K C 1.719 178.311 176.600 -0.013 0.000 1.050 290 K CA 1.532 57.809 56.287 -0.017 0.000 0.945 290 K CB -0.422 32.076 32.500 -0.004 0.000 0.732 290 K HN 0.238 nan 8.250 nan 0.000 0.451 291 D N 1.404 121.788 120.400 -0.027 0.000 2.103 291 D HA -0.035 4.605 4.640 -0.000 0.000 0.199 291 D C 1.953 178.221 176.300 -0.054 0.000 0.978 291 D CA 1.441 55.431 54.000 -0.017 0.000 0.829 291 D CB 0.037 40.852 40.800 0.024 0.000 0.981 291 D HN 0.292 nan 8.370 nan 0.000 0.464 292 A N 0.426 123.177 122.820 -0.115 0.000 1.930 292 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 292 A C 2.180 179.751 177.584 -0.023 0.000 1.175 292 A CA 0.680 52.646 52.037 -0.119 0.000 0.627 292 A CB -0.415 18.469 19.000 -0.194 0.000 0.815 292 A HN 0.345 nan 8.150 nan 0.000 0.443 293 L N -0.603 120.620 121.223 0.001 0.000 2.791 293 L HA 0.211 4.551 4.340 -0.000 0.000 0.239 293 L C 2.251 179.216 176.870 0.157 0.000 1.203 293 L CA 0.228 55.128 54.840 0.101 0.000 1.002 293 L CB -0.213 41.838 42.059 -0.013 0.000 1.295 293 L HN 0.375 nan 8.230 nan 0.000 0.504 294 A N 0.273 123.142 122.820 0.082 0.000 1.997 294 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 294 A C 1.837 179.462 177.584 0.068 0.000 1.172 294 A CA 1.919 53.993 52.037 0.062 0.000 0.645 294 A CB -0.259 18.758 19.000 0.029 0.000 0.813 294 A HN 0.404 nan 8.150 nan 0.000 0.454 295 D N -1.438 119.005 120.400 0.071 0.000 2.264 295 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 295 D C 0.343 176.586 176.300 -0.094 0.000 0.966 295 D CA 0.577 54.555 54.000 -0.037 0.000 0.864 295 D CB -0.076 40.649 40.800 -0.125 0.000 0.933 295 D HN 0.447 nan 8.370 nan 0.000 0.499 296 F N 0.873 120.812 119.950 -0.018 0.000 2.321 296 F HA 0.208 4.735 4.527 -0.000 0.000 0.318 296 F C 1.143 176.935 175.800 -0.014 0.000 1.129 296 F CA -0.722 57.269 58.000 -0.015 0.000 1.074 296 F CB 0.578 39.569 39.000 -0.015 0.000 1.432 296 F HN -0.385 nan 8.300 nan 0.000 0.502 297 E N 0.848 121.182 120.200 0.223 0.000 1.993 297 E HA 0.292 4.642 4.350 -0.000 0.000 0.271 297 E C -1.202 175.456 176.600 0.096 0.000 1.008 297 E CA -0.383 56.082 56.400 0.109 0.000 0.814 297 E CB 0.951 30.696 29.700 0.075 0.000 1.098 297 E HN 0.168 nan 8.360 nan 0.000 0.407 298 V N 4.833 124.792 119.914 0.073 0.000 2.488 298 V HA 0.128 4.248 4.120 -0.000 0.000 0.277 298 V C 0.241 176.346 176.094 0.019 0.000 1.046 298 V CA -0.350 61.974 62.300 0.039 0.000 0.986 298 V CB 0.783 32.626 31.823 0.034 0.000 0.989 298 V HN 0.567 nan 8.190 nan 0.000 0.475 299 I N 4.306 124.880 120.570 0.008 0.000 2.359 299 I HA 0.254 4.424 4.170 -0.000 0.000 0.284 299 I C 0.423 176.548 176.117 0.014 0.000 1.018 299 I CA 0.232 61.533 61.300 0.003 0.000 1.173 299 I CB 1.358 39.354 38.000 -0.008 0.000 1.326 299 I HN 0.647 nan 8.210 nan 0.000 0.462 300 S N 5.340 121.050 115.700 0.017 0.000 2.465 300 S HA 0.296 4.765 4.470 -0.000 0.000 0.279 300 S C 1.154 175.794 174.600 0.067 0.000 1.201 300 S CA -0.520 57.700 58.200 0.033 0.000 1.053 300 S CB 1.241 64.454 63.200 0.022 0.000 0.953 300 S HN 0.369 nan 8.310 nan 0.000 0.488 301 V N 5.777 125.759 119.914 0.113 0.000 2.427 301 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 301 V C 2.755 178.948 176.094 0.165 0.000 1.051 301 V CA 2.163 64.594 62.300 0.218 0.000 1.048 301 V CB -1.354 30.609 31.823 0.234 0.000 0.666 301 V HN 0.981 nan 8.190 nan 0.000 0.456 302 A N -0.094 122.780 122.820 0.091 0.000 1.908 302 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 302 A C 2.146 179.764 177.584 0.056 0.000 1.181 302 A CA 2.121 54.198 52.037 0.066 0.000 0.627 302 A CB -0.446 18.581 19.000 0.046 0.000 0.818 302 A HN 0.625 nan 8.150 nan 0.000 0.445 303 E N -1.373 118.848 120.200 0.036 0.000 2.216 303 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 303 E C 2.218 178.806 176.600 -0.021 0.000 0.988 303 E CA 0.799 57.206 56.400 0.012 0.000 0.834 303 E CB -0.026 29.677 29.700 0.004 0.000 0.772 303 E HN 0.625 nan 8.360 nan 0.000 0.479 304 R N -0.521 119.949 120.500 -0.050 0.000 2.112 304 R HA -0.030 4.310 4.340 -0.000 0.000 0.216 304 R C 0.991 177.094 176.300 -0.329 0.000 1.080 304 R CA 1.000 56.970 56.100 -0.216 0.000 0.996 304 R CB 0.225 30.330 30.300 -0.325 0.000 0.902 304 R HN 0.166 nan 8.270 nan 0.000 0.449 305 Y N -1.000 119.319 120.300 0.031 0.000 2.444 305 Y HA 0.414 4.964 4.550 -0.000 0.000 0.252 305 Y C 0.496 176.431 175.900 0.058 0.000 1.091 305 Y CA 0.441 58.550 58.100 0.016 0.000 1.276 305 Y CB 1.645 39.972 38.460 -0.222 0.000 1.170 305 Y HN 0.285 nan 8.280 nan 0.000 0.517 306 G N 0.367 109.257 108.800 0.151 0.000 2.640 306 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 306 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 306 G C 0.239 175.187 174.900 0.081 0.000 1.229 306 G CA -0.567 44.601 45.100 0.114 0.000 0.796 306 G HN -0.142 nan 8.290 nan 0.000 0.654 307 K N 0.245 120.684 120.400 0.065 0.000 2.034 307 K HA -0.151 4.169 4.320 -0.000 0.000 0.214 307 K C 2.145 178.788 176.600 0.072 0.000 1.051 307 K CA 2.406 58.727 56.287 0.057 0.000 0.931 307 K CB -0.491 32.036 32.500 0.046 0.000 0.715 307 K HN 0.607 nan 8.250 nan 0.000 0.446 308 D N -0.104 120.356 120.400 0.100 0.000 2.133 308 D HA -0.161 4.479 4.640 -0.000 0.000 0.192 308 D C 1.894 178.239 176.300 0.074 0.000 1.001 308 D CA 1.307 55.404 54.000 0.162 0.000 0.844 308 D CB -0.115 40.793 40.800 0.181 0.000 0.944 308 D HN -0.001 nan 8.370 nan 0.000 0.447 309 V N 0.548 120.444 119.914 -0.030 0.000 2.453 309 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 309 V C 2.334 178.320 176.094 -0.179 0.000 1.048 309 V CA 1.726 63.874 62.300 -0.253 0.000 1.049 309 V CB -0.565 30.883 31.823 -0.624 0.000 0.672 309 V HN 0.285 nan 8.190 nan 0.000 0.457 310 S N -0.314 115.353 115.700 -0.055 0.000 2.515 310 S HA 0.039 4.509 4.470 -0.000 0.000 0.231 310 S C 1.620 176.228 174.600 0.012 0.000 0.987 310 S CA 0.954 59.150 58.200 -0.007 0.000 0.936 310 S CB -0.341 62.879 63.200 0.034 0.000 0.766 310 S HN 0.556 nan 8.310 nan 0.000 0.528 311 L N -0.001 121.244 121.223 0.036 0.000 2.616 311 L HA 0.465 4.805 4.340 -0.000 0.000 0.229 311 L C 1.463 178.358 176.870 0.041 0.000 1.110 311 L CA 0.462 55.350 54.840 0.080 0.000 0.884 311 L CB 0.138 42.301 42.059 0.175 0.000 1.115 311 L HN 0.431 nan 8.230 nan 0.000 0.481 312 A N -1.075 121.721 122.820 -0.040 0.000 2.663 312 A HA 0.268 4.588 4.320 -0.000 0.000 0.273 312 A C 1.251 178.753 177.584 -0.136 0.000 0.932 312 A CA -0.180 51.794 52.037 -0.104 0.000 1.055 312 A CB -0.368 18.513 19.000 -0.198 0.000 1.206 312 A HN 0.123 nan 8.150 nan 0.000 0.485 313 T N 1.396 115.868 114.554 -0.137 0.000 2.720 313 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 313 T C -0.485 174.083 174.700 -0.220 0.000 1.037 313 T CA 2.241 64.216 62.100 -0.209 0.000 1.144 313 T CB -0.995 67.814 68.868 -0.099 0.000 0.864 313 T HN 0.395 nan 8.240 nan 0.000 0.444 314 P HA -0.079 nan 4.420 nan 0.000 0.217 314 P C 1.962 179.118 177.300 -0.240 0.000 1.150 314 P CA 1.405 64.391 63.100 -0.191 0.000 0.832 314 P CB -0.198 31.420 31.700 -0.137 0.000 0.787 315 S N -1.879 113.707 115.700 -0.189 0.000 2.436 315 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 315 S C 1.866 176.317 174.600 -0.248 0.000 1.014 315 S CA 0.353 58.441 58.200 -0.187 0.000 0.950 315 S CB -1.486 61.638 63.200 -0.127 0.000 0.784 315 S HN 0.033 nan 8.310 nan 0.000 0.504 316 F N 2.461 122.137 119.950 -0.457 0.000 2.234 316 F HA 0.322 4.849 4.527 -0.000 0.000 0.296 316 F C 2.425 177.722 175.800 -0.839 0.000 1.089 316 F CA 0.623 58.246 58.000 -0.627 0.000 1.343 316 F CB -0.634 37.917 39.000 -0.748 0.000 1.040 316 F HN 0.297 nan 8.300 nan 0.000 0.498 317 A N 0.221 122.624 122.820 -0.695 0.000 1.877 317 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 317 A C 2.236 179.519 177.584 -0.502 0.000 1.186 317 A CA 2.241 53.799 52.037 -0.799 0.000 0.620 317 A CB -1.581 17.175 19.000 -0.406 0.000 0.822 317 A HN 0.409 nan 8.150 nan 0.000 0.443 318 V N -2.485 117.170 119.914 -0.432 0.000 2.667 318 V HA 0.030 4.150 4.120 -0.000 0.000 0.252 318 V C 2.485 178.506 176.094 -0.123 0.000 1.065 318 V CA 1.566 63.706 62.300 -0.266 0.000 1.083 318 V CB -1.443 30.222 31.823 -0.263 0.000 0.692 318 V HN 0.491 nan 8.190 nan 0.000 0.468 319 A N 0.762 123.392 122.820 -0.317 0.000 1.877 319 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 319 A C 2.214 179.597 177.584 -0.335 0.000 1.186 319 A CA 2.063 53.894 52.037 -0.343 0.000 0.620 319 A CB -0.655 18.061 19.000 -0.472 0.000 0.822 319 A HN 0.602 nan 8.150 nan 0.000 0.443 320 E N 0.165 120.091 120.200 -0.457 0.000 2.106 320 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 320 E C 1.825 178.398 176.600 -0.047 0.000 0.984 320 E CA 0.991 57.219 56.400 -0.287 0.000 0.806 320 E CB -0.403 29.104 29.700 -0.322 0.000 0.750 320 E HN 0.593 nan 8.360 nan 0.000 0.458 321 L N 0.218 121.460 121.223 0.031 0.000 2.046 321 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 321 L C 2.481 179.513 176.870 0.271 0.000 1.077 321 L CA 0.816 55.788 54.840 0.219 0.000 0.747 321 L CB -0.518 41.702 42.059 0.267 0.000 0.896 321 L HN 0.304 nan 8.230 nan 0.000 0.432 322 L N 0.614 121.905 121.223 0.112 0.000 2.056 322 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 322 L C 2.473 179.242 176.870 -0.167 0.000 1.078 322 L CA 1.906 56.573 54.840 -0.288 0.000 0.749 322 L CB -0.656 41.088 42.059 -0.526 0.000 0.901 322 L HN 0.319 nan 8.230 nan 0.000 0.433 323 K N -0.094 120.234 120.400 -0.121 0.000 2.057 323 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 323 K C 1.774 178.355 176.600 -0.032 0.000 1.049 323 K CA 1.641 57.872 56.287 -0.093 0.000 0.931 323 K CB -0.009 32.431 32.500 -0.101 0.000 0.714 323 K HN 0.366 nan 8.250 nan 0.000 0.440 324 N N 1.025 119.731 118.700 0.011 0.000 2.309 324 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 324 N C 1.309 176.853 175.510 0.056 0.000 1.018 324 N CA 1.007 54.085 53.050 0.046 0.000 0.876 324 N CB 0.081 38.614 38.487 0.076 0.000 0.972 324 N HN 0.386 nan 8.380 nan 0.000 0.434 325 E N 0.534 120.765 120.200 0.052 0.000 2.158 325 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 325 E C 2.017 178.636 176.600 0.032 0.000 0.982 325 E CA 0.324 56.760 56.400 0.059 0.000 0.823 325 E CB 0.039 29.783 29.700 0.072 0.000 0.766 325 E HN 0.330 nan 8.360 nan 0.000 0.468 326 L N 0.748 121.960 121.223 -0.018 0.000 2.056 326 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 326 L C 2.437 179.344 176.870 0.061 0.000 1.078 326 L CA 0.837 55.660 54.840 -0.028 0.000 0.749 326 L CB -0.359 41.650 42.059 -0.084 0.000 0.901 326 L HN 0.135 nan 8.230 nan 0.000 0.433 327 L N -0.562 120.696 121.223 0.057 0.000 2.265 327 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 327 L C 1.311 178.254 176.870 0.121 0.000 1.117 327 L CA 0.590 55.480 54.840 0.084 0.000 0.782 327 L CB -0.311 41.779 42.059 0.051 0.000 0.914 327 L HN 0.165 nan 8.230 nan 0.000 0.441 328 E N -1.320 118.951 120.200 0.119 0.000 2.311 328 E HA -0.056 4.294 4.350 -0.000 0.000 0.198 328 E C 1.080 177.778 176.600 0.164 0.000 1.115 328 E CA 0.070 56.542 56.400 0.119 0.000 1.140 328 E CB -0.113 29.641 29.700 0.090 0.000 1.204 328 E HN 0.245 nan 8.360 nan 0.000 0.446 329 H N -0.203 118.931 119.070 0.108 0.000 2.497 329 H HA 0.140 4.696 4.556 -0.000 0.000 0.282 329 H C 0.033 175.440 175.328 0.131 0.000 1.003 329 H CA 1.470 57.554 56.048 0.060 0.000 1.307 329 H CB 0.266 30.034 29.762 0.010 0.000 1.437 329 H HN 0.401 nan 8.280 nan 0.000 0.544 330 H N 0.000 119.074 119.070 0.006 0.000 2.539 330 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 330 H CA 0.000 56.023 56.048 -0.042 0.000 1.023 330 H CB 0.000 29.704 29.762 -0.097 0.000 1.292 330 H HN 0.000 nan 8.280 nan 0.000 0.496