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 2h4p_1_A DATA FIRST_RESID -4 DATA SEQUENCE ELEISMEQVS ASIGNFTVDL FNKLNETNRD KNIFFSPWSI SSALALTYLA DATA SEQUENCE AKGSTAREMA EVLHFTEAXX XXXXXXXXXX XXXXXXXXXX XXHEQAENIH DATA SEQUENCE SGFKELLTAF NKPRNNYSLR SANRIYVEKT YALLPTYLQL SKKYYKAEPQ DATA SEQUENCE KVNFKTAPEQ SRKEINTWVE KQTESKIKNL LSSDDVKATT RLILVNAIYF DATA SEQUENCE KAEWEVKFQA EKTSIQPFRL SKNKSKPVKM MYMRDTFPVL IMEKMNFKMI DATA SEQUENCE ELPYVKRELS MFILLPDDIK DGTTGLEQLE RELTYERLSE WADSKMMTET DATA SEQUENCE LVDLHLPKFS LEDRIDLRDT LRNMGMTTAF TTNADFRGMT DKKDLAISKV DATA SEQUENCE IHQSFVAVDE KGTEAAAATA VIIS 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 -4 E HA 0.000 nan 4.350 nan 0.000 0.291 -4 E C 0.000 176.605 176.600 0.008 0.000 1.382 -4 E CA 0.000 56.406 56.400 0.009 0.000 0.976 -4 E CB 0.000 29.708 29.700 0.013 0.000 0.812 -3 L N 1.591 122.819 121.223 0.008 0.000 2.093 -3 L HA -0.058 4.379 4.340 0.162 0.000 0.208 -3 L C 2.887 179.755 176.870 -0.003 0.000 1.085 -3 L CA 2.062 56.906 54.840 0.005 0.000 0.755 -3 L CB -0.675 41.388 42.059 0.007 0.000 0.904 -3 L HN 0.345 nan 8.230 nan 0.000 0.435 -2 E N 0.472 120.672 120.200 -0.001 0.000 2.077 -2 E HA -0.201 4.246 4.350 0.162 0.000 0.193 -2 E C 2.149 178.748 176.600 -0.002 0.000 0.989 -2 E CA 1.981 58.380 56.400 -0.001 0.000 0.800 -2 E CB -1.027 28.676 29.700 0.005 0.000 0.746 -2 E HN 0.305 nan 8.360 nan 0.000 0.452 -1 I N 1.278 121.848 120.570 0.000 0.000 2.252 -1 I HA -0.195 4.073 4.170 0.162 0.000 0.245 -1 I C 2.867 178.979 176.117 -0.009 0.000 1.102 -1 I CA 1.481 62.781 61.300 0.001 0.000 1.385 -1 I CB -1.020 36.982 38.000 0.004 0.000 1.064 -1 I HN 0.522 nan 8.210 nan 0.000 0.414 0 S N 0.034 115.724 115.700 -0.015 0.000 2.359 0 S HA -0.240 4.328 4.470 0.162 0.000 0.224 0 S C 2.066 176.633 174.600 -0.056 0.000 1.035 0 S CA 1.825 60.005 58.200 -0.034 0.000 1.018 0 S CB -0.422 62.762 63.200 -0.027 0.000 0.876 0 S HN 0.529 nan 8.310 nan 0.000 0.448 1 M N 0.995 120.567 119.600 -0.046 0.000 2.117 1 M HA -0.140 4.437 4.480 0.162 0.000 0.262 1 M C 2.210 178.487 176.300 -0.038 0.000 1.065 1 M CA 1.403 56.668 55.300 -0.059 0.000 1.114 1 M CB -0.519 32.051 32.600 -0.050 0.000 1.361 1 M HN 0.324 nan 8.290 nan 0.000 0.408 2 E N 0.007 120.200 120.200 -0.012 0.000 2.110 2 E HA -0.226 4.221 4.350 0.162 0.000 0.193 2 E C 2.061 178.669 176.600 0.015 0.000 0.988 2 E CA 1.118 57.525 56.400 0.012 0.000 0.804 2 E CB -0.103 29.609 29.700 0.019 0.000 0.745 2 E HN 0.584 nan 8.360 nan 0.000 0.458 3 Q N 0.107 119.904 119.800 -0.005 0.000 2.079 3 Q HA -0.121 4.316 4.340 0.162 0.000 0.200 3 Q C 2.341 178.333 176.000 -0.013 0.000 0.974 3 Q CA 1.182 56.986 55.803 0.003 0.000 0.840 3 Q CB 0.111 28.844 28.738 -0.009 0.000 0.898 3 Q HN 0.148 nan 8.270 nan 0.000 0.430 4 V N 0.278 120.138 119.914 -0.090 0.000 2.307 4 V HA -0.229 3.988 4.120 0.162 0.000 0.245 4 V C 2.145 178.191 176.094 -0.081 0.000 1.045 4 V CA 1.846 64.033 62.300 -0.188 0.000 1.024 4 V CB -0.477 31.050 31.823 -0.493 0.000 0.651 4 V HN 0.287 nan 8.190 nan 0.000 0.449 5 S N 0.571 116.255 115.700 -0.026 0.000 2.370 5 S HA -0.218 4.349 4.470 0.162 0.000 0.226 5 S C 2.212 176.823 174.600 0.018 0.000 1.033 5 S CA 1.542 59.768 58.200 0.044 0.000 1.011 5 S CB -0.543 62.702 63.200 0.074 0.000 0.852 5 S HN 0.656 nan 8.310 nan 0.000 0.457 6 A N 1.831 124.676 122.820 0.042 0.000 1.898 6 A HA -0.103 4.315 4.320 0.162 0.000 0.216 6 A C 2.398 179.929 177.584 -0.089 0.000 1.181 6 A CA 1.976 54.045 52.037 0.054 0.000 0.620 6 A CB -1.038 18.034 19.000 0.119 0.000 0.819 6 A HN 0.627 nan 8.150 nan 0.000 0.442 7 S N 0.169 115.874 115.700 0.008 0.000 2.368 7 S HA -0.148 4.419 4.470 0.162 0.000 0.225 7 S C 1.897 176.511 174.600 0.023 0.000 1.030 7 S CA 1.507 59.751 58.200 0.074 0.000 0.999 7 S CB -0.766 62.594 63.200 0.267 0.000 0.844 7 S HN 0.465 nan 8.310 nan 0.000 0.459 8 I N 2.246 122.838 120.570 0.038 0.000 2.226 8 I HA -0.051 4.216 4.170 0.162 0.000 0.245 8 I C 2.941 179.003 176.117 -0.092 0.000 1.100 8 I CA 1.143 62.507 61.300 0.107 0.000 1.374 8 I CB -1.031 37.090 38.000 0.201 0.000 1.057 8 I HN 0.503 nan 8.210 nan 0.000 0.413 9 G N 0.716 109.219 108.800 -0.495 0.000 2.446 9 G HA2 -0.282 3.775 3.960 0.162 0.000 0.217 9 G HA3 -0.282 3.775 3.960 0.162 0.000 0.217 9 G C 1.370 175.690 174.900 -0.966 0.000 1.168 9 G CA 1.229 45.583 45.100 -1.243 0.000 0.771 9 G HN 0.393 nan 8.290 nan 0.000 0.551 10 N N -0.407 117.839 118.700 -0.758 0.000 2.120 10 N HA -0.092 4.745 4.740 0.162 0.000 0.188 10 N C 1.808 177.107 175.510 -0.352 0.000 1.024 10 N CA 1.139 53.847 53.050 -0.570 0.000 0.852 10 N CB -0.278 37.613 38.487 -0.992 0.000 1.003 10 N HN 0.292 nan 8.380 nan 0.000 0.424 11 F N 1.754 121.534 119.950 -0.284 0.000 2.171 11 F HA -0.161 4.437 4.527 0.118 0.000 0.300 11 F C 2.148 177.934 175.800 -0.022 0.000 1.090 11 F CA 1.212 59.181 58.000 -0.052 0.000 1.293 11 F CB -0.789 38.198 39.000 -0.022 0.000 1.013 11 F HN -0.055 nan 8.300 nan 0.000 0.486 12 T N 0.188 114.685 114.554 -0.095 0.000 2.652 12 T HA -0.194 4.254 4.350 0.162 0.000 0.267 12 T C 2.198 176.914 174.700 0.026 0.000 1.039 12 T CA 1.939 64.039 62.100 0.000 0.000 1.153 12 T CB -0.787 68.120 68.868 0.066 0.000 0.863 12 T HN 0.144 nan 8.240 nan 0.000 0.428 13 V N 1.842 121.748 119.914 -0.013 0.000 2.307 13 V HA -0.156 4.061 4.120 0.162 0.000 0.245 13 V C 2.378 178.505 176.094 0.055 0.000 1.045 13 V CA 1.763 64.096 62.300 0.055 0.000 1.024 13 V CB -0.629 31.212 31.823 0.030 0.000 0.651 13 V HN 0.384 nan 8.190 nan 0.000 0.449 14 D N -0.059 120.321 120.400 -0.033 0.000 2.104 14 D HA -0.155 4.583 4.640 0.162 0.000 0.194 14 D C 1.932 178.143 176.300 -0.149 0.000 0.994 14 D CA 1.194 55.172 54.000 -0.036 0.000 0.830 14 D CB -0.373 40.455 40.800 0.047 0.000 0.959 14 D HN 0.323 nan 8.370 nan 0.000 0.452 15 L N -0.059 120.936 121.223 -0.381 0.000 2.017 15 L HA -0.099 4.339 4.340 0.162 0.000 0.208 15 L C 2.106 178.795 176.870 -0.302 0.000 1.073 15 L CA 1.469 55.981 54.840 -0.547 0.000 0.745 15 L CB -0.926 40.462 42.059 -1.119 0.000 0.894 15 L HN 0.004 nan 8.230 nan 0.000 0.432 16 F N 0.708 120.545 119.950 -0.188 0.000 2.095 16 F HA -0.273 4.342 4.527 0.146 0.000 0.298 16 F C 2.233 178.024 175.800 -0.015 0.000 1.104 16 F CA 2.314 60.334 58.000 0.034 0.000 1.232 16 F CB -0.612 38.496 39.000 0.179 0.000 0.987 16 F HN 0.296 nan 8.300 nan 0.000 0.475 17 N N -0.167 118.565 118.700 0.054 0.000 2.104 17 N HA -0.262 4.575 4.740 0.162 0.000 0.190 17 N C 1.769 177.190 175.510 -0.149 0.000 1.024 17 N CA 1.304 54.329 53.050 -0.041 0.000 0.853 17 N CB -0.225 38.293 38.487 0.050 0.000 1.008 17 N HN 0.119 nan 8.380 nan 0.000 0.424 18 K N 1.617 121.928 120.400 -0.148 0.000 2.057 18 K HA 0.012 4.429 4.320 0.162 0.000 0.206 18 K C 1.777 178.267 176.600 -0.183 0.000 1.050 18 K CA 0.939 57.138 56.287 -0.146 0.000 0.935 18 K CB -0.356 32.062 32.500 -0.137 0.000 0.715 18 K HN 0.116 nan 8.250 nan 0.000 0.439 19 L N 0.740 121.819 121.223 -0.241 0.000 2.083 19 L HA -0.168 4.269 4.340 0.162 0.000 0.209 19 L C 2.125 178.836 176.870 -0.265 0.000 1.083 19 L CA 1.375 56.076 54.840 -0.232 0.000 0.752 19 L CB -0.589 41.333 42.059 -0.229 0.000 0.899 19 L HN 0.289 nan 8.230 nan 0.000 0.433 20 N N 0.267 118.720 118.700 -0.412 0.000 2.309 20 N HA -0.175 4.662 4.740 0.162 0.000 0.182 20 N C 1.676 177.070 175.510 -0.195 0.000 1.018 20 N CA 1.022 53.836 53.050 -0.393 0.000 0.876 20 N CB 0.099 38.235 38.487 -0.585 0.000 0.972 20 N HN 0.316 nan 8.380 nan 0.000 0.434 21 E N -1.121 118.986 120.200 -0.155 0.000 2.085 21 E HA -0.166 4.282 4.350 0.162 0.000 0.194 21 E C 1.508 178.063 176.600 -0.074 0.000 0.994 21 E CA 1.895 58.239 56.400 -0.093 0.000 0.801 21 E CB -0.080 29.573 29.700 -0.079 0.000 0.743 21 E HN 0.619 nan 8.360 nan 0.000 0.453 22 T N -2.219 112.287 114.554 -0.080 0.000 3.031 22 T HA 0.006 4.453 4.350 0.162 0.000 0.254 22 T C 0.924 175.593 174.700 -0.050 0.000 1.060 22 T CA 0.132 62.197 62.100 -0.058 0.000 1.135 22 T CB 0.047 68.881 68.868 -0.056 0.000 0.896 22 T HN -0.133 nan 8.240 nan 0.000 0.472 23 N N 1.715 120.376 118.700 -0.065 0.000 2.976 23 N HA 0.329 5.166 4.740 0.162 0.000 0.255 23 N C 0.575 176.054 175.510 -0.052 0.000 1.312 23 N CA -0.612 52.411 53.050 -0.046 0.000 0.897 23 N CB 0.861 39.327 38.487 -0.035 0.000 1.184 23 N HN 0.262 nan 8.380 nan 0.000 0.497 24 R N 0.548 121.027 120.500 -0.035 0.000 2.193 24 R HA -0.014 4.424 4.340 0.162 0.000 0.213 24 R C 0.407 176.713 176.300 0.010 0.000 1.055 24 R CA 0.952 57.039 56.100 -0.021 0.000 0.995 24 R CB -0.060 30.233 30.300 -0.012 0.000 0.893 24 R HN 0.622 nan 8.270 nan 0.000 0.459 25 D N -0.631 119.777 120.400 0.014 0.000 2.623 25 D HA 0.085 4.822 4.640 0.162 0.000 0.252 25 D C -0.410 175.913 176.300 0.037 0.000 1.294 25 D CA -0.266 53.752 54.000 0.030 0.000 0.824 25 D CB 0.340 41.154 40.800 0.024 0.000 1.070 25 D HN -0.300 nan 8.370 nan 0.000 0.487 26 K N -0.437 119.987 120.400 0.040 0.000 2.395 26 K HA 0.443 4.860 4.320 0.162 0.000 0.247 26 K C -0.314 176.330 176.600 0.074 0.000 0.973 26 K CA -0.867 55.450 56.287 0.049 0.000 0.828 26 K CB 1.516 34.041 32.500 0.042 0.000 1.272 26 K HN 0.185 nan 8.250 nan 0.000 0.439 27 N N 0.397 119.143 118.700 0.077 0.000 2.458 27 N HA 0.234 5.072 4.740 0.162 0.000 0.258 27 N C -0.537 175.071 175.510 0.164 0.000 1.219 27 N CA 0.149 53.261 53.050 0.104 0.000 0.902 27 N CB 0.232 38.764 38.487 0.075 0.000 1.076 27 N HN 0.376 nan 8.380 nan 0.000 0.455 28 I N 2.247 122.959 120.570 0.236 0.000 2.465 28 I HA 0.445 4.712 4.170 0.162 0.000 0.291 28 I C -1.177 175.192 176.117 0.421 0.000 1.014 28 I CA -0.716 60.781 61.300 0.327 0.000 1.093 28 I CB 1.282 39.507 38.000 0.375 0.000 1.267 28 I HN 0.440 nan 8.210 nan 0.000 0.431 29 F N 8.540 128.643 119.950 0.255 0.000 2.623 29 F HA 0.612 5.347 4.527 0.347 0.000 0.323 29 F C -1.686 174.305 175.800 0.319 0.000 1.158 29 F CA -0.839 57.256 58.000 0.159 0.000 1.030 29 F CB 1.329 40.404 39.000 0.125 0.000 1.280 29 F HN 0.317 nan 8.300 nan 0.000 0.474 30 F N 1.995 121.654 119.950 -0.484 0.000 2.711 30 F HA 0.707 5.271 4.527 0.062 0.000 0.313 30 F C -1.262 174.339 175.800 -0.331 0.000 1.141 30 F CA -1.404 56.478 58.000 -0.197 0.000 0.941 30 F CB 1.312 40.273 39.000 -0.064 0.000 1.349 30 F HN 0.322 nan 8.300 nan 0.000 0.464 31 S N 2.503 118.357 115.700 0.257 0.000 2.461 31 S HA 0.440 5.007 4.470 0.162 0.000 0.322 31 S C -1.791 173.031 174.600 0.369 0.000 1.063 31 S CA -1.671 56.668 58.200 0.232 0.000 1.120 31 S CB 0.779 64.184 63.200 0.342 0.000 0.968 31 S HN 0.553 nan 8.310 nan 0.000 0.467 32 P HA -0.058 nan 4.420 nan 0.000 0.222 32 P C 1.613 179.177 177.300 0.440 0.000 1.153 32 P CA 0.443 63.825 63.100 0.471 0.000 0.798 32 P CB -0.139 31.842 31.700 0.468 0.000 0.796 33 W N 1.477 122.937 121.300 0.267 0.000 2.335 33 W HA -0.157 4.532 4.660 0.049 0.000 0.311 33 W C 2.102 178.825 176.519 0.340 0.000 1.213 33 W CA 1.858 59.391 57.345 0.312 0.000 1.274 33 W CB -0.940 28.668 29.460 0.246 0.000 1.148 33 W HN 0.006 nan 8.180 nan 0.000 0.498 34 S N 0.693 116.538 115.700 0.241 0.000 2.368 34 S HA -0.186 4.381 4.470 0.162 0.000 0.224 34 S C 1.901 176.546 174.600 0.075 0.000 1.029 34 S CA 1.735 60.022 58.200 0.145 0.000 0.988 34 S CB -0.489 62.941 63.200 0.383 0.000 0.838 34 S HN 0.300 nan 8.310 nan 0.000 0.462 35 I N 0.599 121.239 120.570 0.116 0.000 2.202 35 I HA -0.105 4.162 4.170 0.162 0.000 0.242 35 I C 2.757 178.851 176.117 -0.038 0.000 1.091 35 I CA 1.278 62.611 61.300 0.056 0.000 1.368 35 I CB -0.500 37.540 38.000 0.067 0.000 1.058 35 I HN 0.315 nan 8.210 nan 0.000 0.410 36 S N -0.026 115.657 115.700 -0.028 0.000 2.383 36 S HA -0.165 4.402 4.470 0.162 0.000 0.227 36 S C 2.252 176.747 174.600 -0.175 0.000 1.026 36 S CA 1.808 59.947 58.200 -0.102 0.000 0.981 36 S CB -0.138 63.142 63.200 0.135 0.000 0.818 36 S HN 0.372 nan 8.310 nan 0.000 0.472 37 S N 1.300 116.811 115.700 -0.316 0.000 2.353 37 S HA -0.051 4.516 4.470 0.162 0.000 0.222 37 S C 2.221 176.557 174.600 -0.439 0.000 1.035 37 S CA 1.213 59.068 58.200 -0.576 0.000 1.025 37 S CB -0.701 62.127 63.200 -0.620 0.000 0.902 37 S HN 0.694 nan 8.310 nan 0.000 0.440 38 A N 1.204 123.882 122.820 -0.237 0.000 1.902 38 A HA 0.003 4.420 4.320 0.162 0.000 0.217 38 A C 2.105 179.581 177.584 -0.179 0.000 1.181 38 A CA 1.199 53.139 52.037 -0.162 0.000 0.623 38 A CB -0.712 18.267 19.000 -0.034 0.000 0.818 38 A HN 0.462 nan 8.150 nan 0.000 0.443 39 L N -0.952 120.179 121.223 -0.154 0.000 2.217 39 L HA -0.109 4.328 4.340 0.162 0.000 0.211 39 L C 2.988 179.829 176.870 -0.048 0.000 1.107 39 L CA 0.732 55.507 54.840 -0.109 0.000 0.783 39 L CB -0.442 41.529 42.059 -0.147 0.000 0.919 39 L HN 0.440 nan 8.230 nan 0.000 0.442 40 A N 0.112 122.848 122.820 -0.140 0.000 1.898 40 A HA -0.192 4.225 4.320 0.162 0.000 0.216 40 A C 2.178 179.644 177.584 -0.198 0.000 1.181 40 A CA 1.291 53.294 52.037 -0.056 0.000 0.620 40 A CB -0.575 18.117 19.000 -0.513 0.000 0.819 40 A HN 0.303 nan 8.150 nan 0.000 0.442 41 L N 0.008 120.849 121.223 -0.636 0.000 2.131 41 L HA -0.100 4.337 4.340 0.162 0.000 0.210 41 L C 2.314 179.113 176.870 -0.117 0.000 1.092 41 L CA 2.693 57.157 54.840 -0.626 0.000 0.759 41 L CB -0.921 40.755 42.059 -0.639 0.000 0.903 41 L HN 0.375 nan 8.230 nan 0.000 0.435 42 T N -1.741 112.775 114.554 -0.063 0.000 2.812 42 T HA -0.198 4.249 4.350 0.162 0.000 0.264 42 T C 1.646 176.463 174.700 0.194 0.000 1.042 42 T CA 1.482 63.587 62.100 0.008 0.000 1.140 42 T CB -0.563 68.272 68.868 -0.054 0.000 0.870 42 T HN 0.484 nan 8.240 nan 0.000 0.445 43 Y N 2.170 122.538 120.300 0.114 0.000 2.207 43 Y HA -0.113 4.536 4.550 0.165 0.000 0.287 43 Y C 2.046 178.087 175.900 0.235 0.000 1.156 43 Y CA 0.608 58.819 58.100 0.186 0.000 1.182 43 Y CB -0.637 37.967 38.460 0.240 0.000 0.979 43 Y HN 0.095 nan 8.280 nan 0.000 0.521 44 L N 0.783 122.074 121.223 0.113 0.000 2.129 44 L HA -0.158 4.279 4.340 0.162 0.000 0.212 44 L C 2.201 179.100 176.870 0.048 0.000 1.087 44 L CA 2.202 57.043 54.840 0.002 0.000 0.757 44 L CB -1.005 41.071 42.059 0.028 0.000 0.896 44 L HN 0.322 nan 8.230 nan 0.000 0.434 45 A N -1.268 121.595 122.820 0.072 0.000 2.238 45 A HA 0.571 4.989 4.320 0.162 0.000 0.210 45 A C 1.302 178.911 177.584 0.042 0.000 1.179 45 A CA 0.368 52.364 52.037 -0.068 0.000 0.827 45 A CB -0.658 18.125 19.000 -0.362 0.000 0.856 45 A HN 0.424 nan 8.150 nan 0.000 0.488 46 A N 0.363 123.192 122.820 0.015 0.000 2.322 46 A HA 0.602 5.019 4.320 0.162 0.000 0.269 46 A C 0.064 177.536 177.584 -0.186 0.000 1.094 46 A CA -0.174 51.750 52.037 -0.189 0.000 0.807 46 A CB 0.444 19.335 19.000 -0.182 0.000 1.047 46 A HN 0.191 nan 8.150 nan 0.000 0.487 47 K N 0.115 120.375 120.400 -0.235 0.000 2.435 47 K HA 0.631 5.048 4.320 0.162 0.000 0.251 47 K C 0.584 177.107 176.600 -0.127 0.000 0.954 47 K CA 0.206 56.417 56.287 -0.126 0.000 0.820 47 K CB 1.634 34.071 32.500 -0.104 0.000 1.292 47 K HN 1.648 nan 8.250 nan 0.000 0.436 48 G N 1.170 109.947 108.800 -0.039 0.000 2.582 48 G HA2 -0.395 3.662 3.960 0.162 0.000 0.288 48 G HA3 -0.395 3.662 3.960 0.162 0.000 0.288 48 G C 0.939 175.792 174.900 -0.077 0.000 1.247 48 G CA 0.981 46.061 45.100 -0.034 0.000 0.972 48 G HN 0.681 nan 8.290 nan 0.000 0.557 49 S N -1.308 114.340 115.700 -0.087 0.000 2.399 49 S HA -0.110 4.457 4.470 0.162 0.000 0.231 49 S C 2.230 176.740 174.600 -0.150 0.000 1.022 49 S CA 2.596 60.736 58.200 -0.100 0.000 0.983 49 S CB -0.872 62.284 63.200 -0.073 0.000 0.803 49 S HN 1.148 nan 8.310 nan 0.000 0.480 50 T N 2.900 117.334 114.554 -0.199 0.000 2.665 50 T HA -0.048 4.399 4.350 0.162 0.000 0.268 50 T C 2.215 176.773 174.700 -0.236 0.000 1.035 50 T CA 1.684 63.617 62.100 -0.279 0.000 1.151 50 T CB -0.899 67.669 68.868 -0.501 0.000 0.862 50 T HN 0.668 nan 8.240 nan 0.000 0.438 51 A N 1.338 124.024 122.820 -0.223 0.000 1.898 51 A HA -0.037 4.380 4.320 0.162 0.000 0.216 51 A C 2.334 179.721 177.584 -0.327 0.000 1.181 51 A CA 1.483 53.438 52.037 -0.136 0.000 0.620 51 A CB -0.569 18.356 19.000 -0.125 0.000 0.819 51 A HN 0.370 nan 8.150 nan 0.000 0.442 52 R N -0.103 120.091 120.500 -0.510 0.000 2.073 52 R HA -0.176 4.261 4.340 0.162 0.000 0.234 52 R C 2.051 178.205 176.300 -0.243 0.000 1.134 52 R CA 1.901 57.710 56.100 -0.484 0.000 0.952 52 R CB -0.286 29.901 30.300 -0.190 0.000 0.850 52 R HN 0.703 nan 8.270 nan 0.000 0.433 53 E N -0.013 120.080 120.200 -0.178 0.000 2.051 53 E HA -0.220 4.227 4.350 0.162 0.000 0.192 53 E C 2.141 178.642 176.600 -0.164 0.000 0.991 53 E CA 1.794 58.113 56.400 -0.135 0.000 0.799 53 E CB -0.102 29.542 29.700 -0.094 0.000 0.748 53 E HN 0.374 nan 8.360 nan 0.000 0.449 54 M N 0.361 119.862 119.600 -0.165 0.000 2.117 54 M HA -0.162 4.415 4.480 0.162 0.000 0.262 54 M C 2.540 178.586 176.300 -0.422 0.000 1.065 54 M CA 1.460 56.632 55.300 -0.213 0.000 1.114 54 M CB -0.291 32.269 32.600 -0.067 0.000 1.361 54 M HN 0.144 nan 8.290 nan 0.000 0.408 55 A N 0.289 122.860 122.820 -0.416 0.000 1.933 55 A HA -0.188 4.229 4.320 0.162 0.000 0.218 55 A C 1.920 179.280 177.584 -0.373 0.000 1.175 55 A CA 1.827 53.590 52.037 -0.456 0.000 0.628 55 A CB -0.653 18.263 19.000 -0.139 0.000 0.814 55 A HN 0.551 nan 8.150 nan 0.000 0.444 56 E N -0.567 119.467 120.200 -0.276 0.000 2.072 56 E HA -0.083 4.364 4.350 0.162 0.000 0.190 56 E C 1.982 178.356 176.600 -0.377 0.000 0.982 56 E CA 1.113 57.352 56.400 -0.269 0.000 0.803 56 E CB -0.207 29.388 29.700 -0.176 0.000 0.755 56 E HN 0.377 nan 8.360 nan 0.000 0.453 57 V N 1.387 121.118 119.914 -0.304 0.000 2.407 57 V HA -0.216 4.001 4.120 0.162 0.000 0.248 57 V C 2.090 178.046 176.094 -0.230 0.000 1.055 57 V CA 1.411 63.584 62.300 -0.212 0.000 1.049 57 V CB -0.289 31.470 31.823 -0.107 0.000 0.662 57 V HN 0.262 nan 8.190 nan 0.000 0.455 58 L N -0.910 119.975 121.223 -0.562 0.000 2.599 58 L HA 0.151 4.589 4.340 0.162 0.000 0.230 58 L C 0.954 177.510 176.870 -0.523 0.000 1.141 58 L CA 0.361 54.687 54.840 -0.857 0.000 0.877 58 L CB -0.551 40.505 42.059 -1.671 0.000 1.009 58 L HN 0.468 nan 8.230 nan 0.000 0.447 59 H N -2.307 116.538 119.070 -0.376 0.000 2.862 59 H HA -0.204 4.449 4.556 0.161 0.000 0.290 59 H C 1.142 176.475 175.328 0.008 0.000 1.211 59 H CA 0.857 56.827 56.048 -0.130 0.000 1.140 59 H CB -2.021 27.722 29.762 -0.032 0.000 1.341 59 H HN 0.426 nan 8.280 nan 0.000 0.392 60 F N 0.619 120.529 119.950 -0.067 0.000 2.293 60 F HA -0.040 4.579 4.527 0.153 0.000 0.297 60 F C 1.853 177.631 175.800 -0.037 0.000 1.089 60 F CA 1.016 58.964 58.000 -0.087 0.000 1.377 60 F CB 0.514 39.367 39.000 -0.245 0.000 1.051 60 F HN 0.179 nan 8.300 nan 0.000 0.511 61 T N -2.544 112.082 114.554 0.120 0.000 2.865 61 T HA 0.644 5.092 4.350 0.162 0.000 0.294 61 T C -0.629 174.083 174.700 0.020 0.000 1.119 61 T CA -0.785 61.369 62.100 0.091 0.000 1.007 61 T CB 1.738 70.690 68.868 0.140 0.000 1.225 61 T HN 0.044 nan 8.240 nan 0.000 0.515 62 E N -0.079 120.140 120.200 0.032 0.000 2.266 62 E HA 0.731 5.178 4.350 0.162 0.000 0.277 62 E C 0.344 176.939 176.600 -0.009 0.000 1.018 62 E CA -0.683 55.722 56.400 0.008 0.000 0.840 62 E CB 0.829 30.549 29.700 0.033 0.000 1.082 62 E HN 1.146 nan 8.360 nan 0.000 0.395 89 E N 4.074 123.966 120.200 -0.514 0.000 2.167 89 E HA 0.324 4.771 4.350 0.162 0.000 0.284 89 E C -0.287 176.065 176.600 -0.413 0.000 1.016 89 E CA -0.936 55.263 56.400 -0.336 0.000 0.817 89 E CB 0.925 30.506 29.700 -0.198 0.000 1.080 89 E HN 0.583 nan 8.360 nan 0.000 0.397 90 Q N 0.556 120.272 119.800 -0.139 0.000 2.286 90 Q HA 0.239 4.676 4.340 0.162 0.000 0.290 90 Q C 0.154 176.188 176.000 0.057 0.000 1.049 90 Q CA 0.246 56.058 55.803 0.016 0.000 0.923 90 Q CB 1.119 29.878 28.738 0.035 0.000 1.183 90 Q HN 0.794 nan 8.270 nan 0.000 0.383 91 A N 3.454 126.376 122.820 0.170 0.000 2.797 91 A HA 0.275 4.692 4.320 0.162 0.000 0.296 91 A C 1.320 178.860 177.584 -0.074 0.000 1.580 91 A CA 0.471 52.531 52.037 0.037 0.000 1.277 91 A CB -0.505 18.517 19.000 0.036 0.000 1.101 91 A HN 0.855 nan 8.150 nan 0.000 0.562 92 E N 2.585 122.778 120.200 -0.012 0.000 2.153 92 E HA -0.266 4.181 4.350 0.162 0.000 0.194 92 E C 1.582 178.118 176.600 -0.107 0.000 0.988 92 E CA 1.527 57.911 56.400 -0.025 0.000 0.811 92 E CB -0.893 28.812 29.700 0.008 0.000 0.746 92 E HN 0.945 nan 8.360 nan 0.000 0.466 93 N N 0.969 119.619 118.700 -0.083 0.000 2.149 93 N HA -0.150 4.687 4.740 0.162 0.000 0.188 93 N C 1.767 177.194 175.510 -0.139 0.000 1.019 93 N CA 1.830 54.832 53.050 -0.080 0.000 0.857 93 N CB -0.312 38.145 38.487 -0.050 0.000 0.997 93 N HN 0.401 nan 8.380 nan 0.000 0.426 94 I N 1.568 121.997 120.570 -0.235 0.000 2.202 94 I HA -0.181 4.086 4.170 0.162 0.000 0.242 94 I C 2.349 178.339 176.117 -0.211 0.000 1.091 94 I CA 1.179 62.279 61.300 -0.333 0.000 1.368 94 I CB -1.396 36.202 38.000 -0.669 0.000 1.058 94 I HN 0.203 nan 8.210 nan 0.000 0.410 95 H N -0.108 118.850 119.070 -0.187 0.000 2.352 95 H HA -0.115 4.537 4.556 0.161 0.000 0.299 95 H C 2.507 177.609 175.328 -0.377 0.000 1.097 95 H CA 1.723 57.548 56.048 -0.372 0.000 1.311 95 H CB -0.406 28.857 29.762 -0.833 0.000 1.377 95 H HN 0.238 nan 8.280 nan 0.000 0.504 96 S N 0.121 115.706 115.700 -0.192 0.000 2.368 96 S HA -0.097 4.470 4.470 0.162 0.000 0.225 96 S C 2.489 177.116 174.600 0.046 0.000 1.030 96 S CA 1.197 59.442 58.200 0.075 0.000 0.999 96 S CB -0.538 62.706 63.200 0.074 0.000 0.844 96 S HN 0.569 nan 8.310 nan 0.000 0.459 97 G N -0.127 108.652 108.800 -0.035 0.000 2.418 97 G HA2 -0.114 3.943 3.960 0.162 0.000 0.217 97 G HA3 -0.114 3.943 3.960 0.162 0.000 0.217 97 G C 1.201 176.059 174.900 -0.071 0.000 1.158 97 G CA 0.646 45.696 45.100 -0.083 0.000 0.771 97 G HN 0.566 nan 8.290 nan 0.000 0.545 98 F N 0.926 120.860 119.950 -0.028 0.000 2.171 98 F HA 0.016 4.627 4.527 0.139 0.000 0.300 98 F C 2.660 178.470 175.800 0.016 0.000 1.090 98 F CA 1.652 59.677 58.000 0.042 0.000 1.293 98 F CB 0.021 38.984 39.000 -0.061 0.000 1.013 98 F HN 0.067 nan 8.300 nan 0.000 0.486 99 K N 0.314 120.785 120.400 0.119 0.000 2.009 99 K HA -0.208 4.209 4.320 0.162 0.000 0.210 99 K C 1.989 178.615 176.600 0.044 0.000 1.049 99 K CA 1.760 58.092 56.287 0.074 0.000 0.929 99 K CB -0.047 32.531 32.500 0.129 0.000 0.714 99 K HN 0.083 nan 8.250 nan 0.000 0.440 100 E N 0.823 121.032 120.200 0.014 0.000 2.107 100 E HA -0.136 4.311 4.350 0.162 0.000 0.191 100 E C 2.176 178.689 176.600 -0.145 0.000 0.982 100 E CA 0.758 57.132 56.400 -0.044 0.000 0.809 100 E CB -0.187 29.492 29.700 -0.036 0.000 0.756 100 E HN 0.370 nan 8.360 nan 0.000 0.459 101 L N 0.353 121.458 121.223 -0.197 0.000 2.017 101 L HA -0.185 4.252 4.340 0.162 0.000 0.208 101 L C 2.541 178.905 176.870 -0.842 0.000 1.073 101 L CA 0.666 55.156 54.840 -0.584 0.000 0.745 101 L CB -0.450 41.343 42.059 -0.443 0.000 0.894 101 L HN 0.144 nan 8.230 nan 0.000 0.432 102 L N -0.446 120.674 121.223 -0.172 0.000 2.042 102 L HA -0.219 4.218 4.340 0.162 0.000 0.210 102 L C 2.456 179.325 176.870 -0.000 0.000 1.076 102 L CA 2.119 57.010 54.840 0.086 0.000 0.749 102 L CB -0.748 41.523 42.059 0.353 0.000 0.893 102 L HN 0.178 nan 8.230 nan 0.000 0.432 103 T N -0.288 114.244 114.554 -0.037 0.000 2.746 103 T HA -0.151 4.296 4.350 0.162 0.000 0.267 103 T C 1.903 176.579 174.700 -0.040 0.000 1.039 103 T CA 1.309 63.400 62.100 -0.016 0.000 1.142 103 T CB -0.536 68.321 68.868 -0.019 0.000 0.866 103 T HN 0.532 nan 8.240 nan 0.000 0.444 104 A N 0.907 123.640 122.820 -0.145 0.000 1.902 104 A HA 0.027 4.444 4.320 0.162 0.000 0.217 104 A C 2.042 179.669 177.584 0.071 0.000 1.181 104 A CA 1.200 53.184 52.037 -0.090 0.000 0.623 104 A CB -1.011 17.881 19.000 -0.179 0.000 0.818 104 A HN 0.604 nan 8.150 nan 0.000 0.443 105 F N -0.211 119.724 119.950 -0.026 0.000 2.325 105 F HA -0.083 4.551 4.527 0.178 0.000 0.299 105 F C 1.640 177.455 175.800 0.025 0.000 1.090 105 F CA 0.396 58.374 58.000 -0.037 0.000 1.392 105 F CB -0.053 38.857 39.000 -0.151 0.000 1.053 105 F HN 0.207 nan 8.300 nan 0.000 0.521 106 N N 0.563 119.386 118.700 0.204 0.000 2.268 106 N HA 0.015 4.852 4.740 0.162 0.000 0.204 106 N C 0.003 175.563 175.510 0.083 0.000 1.124 106 N CA 0.141 53.278 53.050 0.146 0.000 0.838 106 N CB -0.009 38.565 38.487 0.146 0.000 0.994 106 N HN -0.015 nan 8.380 nan 0.000 0.489 107 K N 2.130 122.572 120.400 0.071 0.000 2.511 107 K HA 0.059 4.476 4.320 0.162 0.000 0.280 107 K C -2.303 174.298 176.600 0.003 0.000 1.008 107 K CA -0.931 55.376 56.287 0.034 0.000 1.050 107 K CB -0.013 32.508 32.500 0.035 0.000 0.889 107 K HN 0.031 nan 8.250 nan 0.000 0.484 108 P HA 0.054 nan 4.420 nan 0.000 0.265 108 P C -1.036 176.231 177.300 -0.055 0.000 1.193 108 P CA 0.181 63.268 63.100 -0.022 0.000 0.765 108 P CB 0.549 32.243 31.700 -0.010 0.000 0.823 109 R N 1.428 121.876 120.500 -0.086 0.000 2.709 109 R HA 0.455 4.892 4.340 0.162 0.000 0.270 109 R C -0.633 175.595 176.300 -0.121 0.000 1.038 109 R CA -0.888 55.132 56.100 -0.133 0.000 0.872 109 R CB 0.554 30.691 30.300 -0.272 0.000 1.259 109 R HN 0.301 nan 8.270 nan 0.000 0.473 110 N N 0.213 118.852 118.700 -0.103 0.000 2.184 110 N HA -0.051 4.786 4.740 0.162 0.000 0.234 110 N C -0.513 174.968 175.510 -0.047 0.000 1.282 110 N CA -0.312 52.698 53.050 -0.067 0.000 0.877 110 N CB 0.081 38.547 38.487 -0.034 0.000 1.184 110 N HN 0.740 nan 8.380 nan 0.000 0.510 111 N N 0.310 118.968 118.700 -0.069 0.000 2.388 111 N HA 0.001 4.838 4.740 0.162 0.000 0.176 111 N C 0.058 175.654 175.510 0.143 0.000 1.062 111 N CA 0.344 53.416 53.050 0.037 0.000 0.895 111 N CB -0.028 38.516 38.487 0.094 0.000 1.018 111 N HN 0.484 nan 8.380 nan 0.000 0.456 112 Y N -3.108 117.189 120.300 -0.004 0.000 2.750 112 Y HA 0.692 5.337 4.550 0.159 0.000 0.335 112 Y C -1.336 174.544 175.900 -0.033 0.000 1.252 112 Y CA -1.467 56.602 58.100 -0.051 0.000 1.064 112 Y CB 0.527 38.946 38.460 -0.068 0.000 1.321 112 Y HN -0.205 nan 8.280 nan 0.000 0.451 113 S N 1.805 117.575 115.700 0.117 0.000 2.433 113 S HA 0.680 5.247 4.470 0.162 0.000 0.310 113 S C -1.603 173.121 174.600 0.207 0.000 1.097 113 S CA -0.461 57.798 58.200 0.099 0.000 1.103 113 S CB 0.997 64.300 63.200 0.172 0.000 0.992 113 S HN 0.658 nan 8.310 nan 0.000 0.469 114 L N 5.267 126.615 121.223 0.208 0.000 2.516 114 L HA 0.666 5.103 4.340 0.162 0.000 0.267 114 L C -0.925 176.063 176.870 0.198 0.000 0.957 114 L CA -0.280 54.716 54.840 0.261 0.000 0.860 114 L CB 1.234 43.499 42.059 0.343 0.000 1.265 114 L HN 0.804 nan 8.230 nan 0.000 0.403 115 R N 2.795 123.429 120.500 0.224 0.000 2.643 115 R HA 0.873 5.310 4.340 0.162 0.000 0.269 115 R C -1.595 174.863 176.300 0.263 0.000 1.037 115 R CA -0.797 55.435 56.100 0.220 0.000 0.894 115 R CB 1.864 32.271 30.300 0.179 0.000 1.238 115 R HN 0.505 nan 8.270 nan 0.000 0.459 116 S N 0.315 116.202 115.700 0.312 0.000 2.546 116 S HA 0.874 5.441 4.470 0.162 0.000 0.274 116 S C -1.728 173.102 174.600 0.383 0.000 1.121 116 S CA -0.177 58.274 58.200 0.417 0.000 0.887 116 S CB 1.985 65.598 63.200 0.689 0.000 1.094 116 S HN 0.934 nan 8.310 nan 0.000 0.474 117 A N 3.410 126.460 122.820 0.383 0.000 2.572 117 A HA 0.829 5.247 4.320 0.162 0.000 0.295 117 A C -1.464 176.436 177.584 0.527 0.000 1.072 117 A CA -0.839 51.446 52.037 0.414 0.000 0.691 117 A CB 1.413 20.629 19.000 0.360 0.000 1.291 117 A HN 0.726 nan 8.150 nan 0.000 0.404 118 N N 0.514 119.485 118.700 0.452 0.000 2.265 118 N HA 0.717 5.554 4.740 0.162 0.000 0.300 118 N C -0.887 174.684 175.510 0.101 0.000 1.148 118 N CA -0.474 52.758 53.050 0.303 0.000 0.772 118 N CB 2.372 40.977 38.487 0.197 0.000 1.434 118 N HN 0.737 nan 8.380 nan 0.000 0.481 119 R N 0.739 121.153 120.500 -0.144 0.000 2.643 119 R HA 0.523 4.960 4.340 0.162 0.000 0.269 119 R C -1.447 174.631 176.300 -0.369 0.000 1.037 119 R CA -0.527 55.295 56.100 -0.463 0.000 0.894 119 R CB 1.611 31.211 30.300 -1.166 0.000 1.238 119 R HN 0.527 nan 8.270 nan 0.000 0.459 120 I N 3.961 124.290 120.570 -0.403 0.000 2.355 120 I HA 0.302 4.569 4.170 0.162 0.000 0.288 120 I C -1.055 174.848 176.117 -0.356 0.000 0.999 120 I CA -0.597 60.562 61.300 -0.235 0.000 1.163 120 I CB 1.131 39.063 38.000 -0.112 0.000 1.316 120 I HN 0.502 nan 8.210 nan 0.000 0.454 121 Y N 5.756 126.018 120.300 -0.064 0.000 2.335 121 Y HA 0.567 5.212 4.550 0.158 0.000 0.339 121 Y C 0.007 175.975 175.900 0.112 0.000 0.987 121 Y CA -0.636 57.452 58.100 -0.020 0.000 1.140 121 Y CB 1.778 40.247 38.460 0.015 0.000 1.173 121 Y HN 0.290 nan 8.280 nan 0.000 0.486 122 V N 3.714 123.740 119.914 0.187 0.000 2.789 122 V HA 0.426 4.643 4.120 0.162 0.000 0.311 122 V C -0.765 175.434 176.094 0.175 0.000 1.073 122 V CA -0.962 61.466 62.300 0.214 0.000 0.921 122 V CB 1.932 33.831 31.823 0.127 0.000 1.009 122 V HN 0.760 nan 8.190 nan 0.000 0.426 123 E N 4.202 124.592 120.200 0.316 0.000 2.558 123 E HA 0.031 4.478 4.350 0.162 0.000 0.255 123 E C 1.306 177.994 176.600 0.147 0.000 0.968 123 E CA 0.961 57.512 56.400 0.253 0.000 0.939 123 E CB 1.259 31.148 29.700 0.316 0.000 0.921 123 E HN 0.756 nan 8.360 nan 0.000 0.477 124 K N 2.004 122.439 120.400 0.059 0.000 2.152 124 K HA -0.138 4.279 4.320 0.162 0.000 0.206 124 K C 1.636 178.274 176.600 0.063 0.000 1.048 124 K CA 1.885 58.195 56.287 0.039 0.000 0.933 124 K CB -1.278 31.223 32.500 0.001 0.000 0.721 124 K HN 0.583 nan 8.250 nan 0.000 0.447 125 T N -0.748 113.859 114.554 0.088 0.000 3.088 125 T HA 0.109 4.556 4.350 0.162 0.000 0.259 125 T C -0.283 174.474 174.700 0.095 0.000 1.122 125 T CA 0.316 62.462 62.100 0.077 0.000 1.095 125 T CB -0.408 68.505 68.868 0.076 0.000 0.930 125 T HN 0.544 nan 8.240 nan 0.000 0.508 126 Y N 2.583 122.901 120.300 0.030 0.000 2.404 126 Y HA 0.543 5.191 4.550 0.163 0.000 0.344 126 Y C 0.137 176.048 175.900 0.018 0.000 0.970 126 Y CA -1.601 56.514 58.100 0.025 0.000 1.180 126 Y CB 0.194 38.676 38.460 0.037 0.000 1.138 126 Y HN 0.073 nan 8.280 nan 0.000 0.510 127 A N 7.335 130.035 122.820 -0.200 0.000 2.409 127 A HA 0.531 4.948 4.320 0.162 0.000 0.262 127 A C -0.948 176.614 177.584 -0.036 0.000 1.113 127 A CA -0.426 51.557 52.037 -0.089 0.000 0.790 127 A CB 0.103 19.029 19.000 -0.124 0.000 1.046 127 A HN 0.858 nan 8.150 nan 0.000 0.496 128 L N 2.172 123.440 121.223 0.075 0.000 2.334 128 L HA 0.422 4.859 4.340 0.162 0.000 0.270 128 L C -0.212 176.706 176.870 0.079 0.000 1.018 128 L CA -0.794 54.116 54.840 0.116 0.000 0.811 128 L CB 1.407 43.575 42.059 0.182 0.000 1.271 128 L HN 0.585 nan 8.230 nan 0.000 0.443 129 L N 2.890 124.166 121.223 0.089 0.000 2.462 129 L HA 0.071 4.508 4.340 0.162 0.000 0.272 129 L C -1.377 175.554 176.870 0.102 0.000 1.166 129 L CA -1.315 53.571 54.840 0.078 0.000 0.880 129 L CB 0.490 42.594 42.059 0.075 0.000 1.142 129 L HN 0.406 nan 8.230 nan 0.000 0.473 130 P HA -0.153 nan 4.420 nan 0.000 0.216 130 P C 1.421 178.745 177.300 0.041 0.000 1.150 130 P CA 1.228 64.351 63.100 0.039 0.000 0.843 130 P CB 0.128 31.838 31.700 0.017 0.000 0.787 131 T N -1.750 112.837 114.554 0.055 0.000 2.788 131 T HA -0.208 4.239 4.350 0.162 0.000 0.268 131 T C 1.615 176.362 174.700 0.079 0.000 1.044 131 T CA 1.167 63.299 62.100 0.053 0.000 1.139 131 T CB -0.999 67.902 68.868 0.055 0.000 0.867 131 T HN 0.111 nan 8.240 nan 0.000 0.454 132 Y N 1.742 122.040 120.300 -0.003 0.000 2.200 132 Y HA 0.009 4.655 4.550 0.160 0.000 0.290 132 Y C 1.926 177.824 175.900 -0.004 0.000 1.137 132 Y CA 0.887 58.984 58.100 -0.006 0.000 1.163 132 Y CB -0.512 37.946 38.460 -0.004 0.000 0.988 132 Y HN 0.128 nan 8.280 nan 0.000 0.518 133 L N 0.362 121.539 121.223 -0.078 0.000 2.093 133 L HA -0.239 4.198 4.340 0.162 0.000 0.208 133 L C 2.690 179.466 176.870 -0.157 0.000 1.085 133 L CA 1.845 56.591 54.840 -0.158 0.000 0.755 133 L CB -0.780 41.255 42.059 -0.039 0.000 0.904 133 L HN 0.381 nan 8.230 nan 0.000 0.435 134 Q N 0.267 120.008 119.800 -0.099 0.000 2.123 134 Q HA -0.164 4.274 4.340 0.162 0.000 0.199 134 Q C 2.187 178.113 176.000 -0.122 0.000 0.966 134 Q CA 1.314 57.061 55.803 -0.095 0.000 0.845 134 Q CB -0.387 28.313 28.738 -0.063 0.000 0.907 134 Q HN 0.476 nan 8.270 nan 0.000 0.439 135 L N 1.057 122.216 121.223 -0.106 0.000 2.056 135 L HA -0.102 4.335 4.340 0.162 0.000 0.207 135 L C 2.547 179.395 176.870 -0.038 0.000 1.078 135 L CA 1.135 55.948 54.840 -0.046 0.000 0.749 135 L CB -0.343 41.737 42.059 0.035 0.000 0.901 135 L HN 0.227 nan 8.230 nan 0.000 0.433 136 S N -0.315 115.259 115.700 -0.210 0.000 2.368 136 S HA -0.215 4.352 4.470 0.162 0.000 0.225 136 S C 1.965 176.540 174.600 -0.042 0.000 1.030 136 S CA 1.360 59.459 58.200 -0.169 0.000 0.999 136 S CB -0.139 62.753 63.200 -0.513 0.000 0.844 136 S HN 0.316 nan 8.310 nan 0.000 0.459 137 K N 1.502 121.838 120.400 -0.105 0.000 2.057 137 K HA -0.090 4.327 4.320 0.162 0.000 0.206 137 K C 2.232 178.778 176.600 -0.091 0.000 1.050 137 K CA 1.276 57.517 56.287 -0.077 0.000 0.935 137 K CB -0.118 32.328 32.500 -0.089 0.000 0.715 137 K HN 0.193 nan 8.250 nan 0.000 0.439 138 K N -0.410 119.885 120.400 -0.176 0.000 1.985 138 K HA -0.175 4.242 4.320 0.162 0.000 0.210 138 K C 1.877 178.274 176.600 -0.338 0.000 1.047 138 K CA 1.795 57.886 56.287 -0.327 0.000 0.932 138 K CB -0.184 31.973 32.500 -0.571 0.000 0.716 138 K HN 0.229 nan 8.250 nan 0.000 0.439 139 Y N -1.825 118.396 120.300 -0.132 0.000 2.448 139 Y HA -0.043 4.603 4.550 0.161 0.000 0.289 139 Y C 0.937 176.502 175.900 -0.559 0.000 1.114 139 Y CA 0.473 58.377 58.100 -0.327 0.000 1.235 139 Y CB 0.461 38.682 38.460 -0.398 0.000 1.045 139 Y HN 0.119 nan 8.280 nan 0.000 0.554 140 Y N -1.087 119.285 120.300 0.120 0.000 2.527 140 Y HA 0.226 4.869 4.550 0.155 0.000 0.247 140 Y C 0.368 176.312 175.900 0.074 0.000 1.138 140 Y CA -0.992 57.162 58.100 0.091 0.000 1.228 140 Y CB 0.394 38.862 38.460 0.013 0.000 1.252 140 Y HN -0.201 nan 8.280 nan 0.000 0.531 141 K N 0.149 120.625 120.400 0.127 0.000 3.035 141 K HA -0.206 4.211 4.320 0.162 0.000 0.262 141 K C -0.030 176.625 176.600 0.091 0.000 1.024 141 K CA 0.519 56.861 56.287 0.091 0.000 0.748 141 K CB -1.527 31.044 32.500 0.118 0.000 1.247 141 K HN 0.284 nan 8.250 nan 0.000 0.482 142 A N 1.582 124.438 122.820 0.059 0.000 2.249 142 A HA 0.356 4.774 4.320 0.162 0.000 0.314 142 A C 0.008 177.540 177.584 -0.086 0.000 1.290 142 A CA -0.542 51.486 52.037 -0.015 0.000 0.893 142 A CB 0.468 19.448 19.000 -0.034 0.000 1.165 142 A HN 0.278 nan 8.150 nan 0.000 0.530 143 E N 3.166 123.294 120.200 -0.120 0.000 2.248 143 E HA 0.426 4.873 4.350 0.162 0.000 0.272 143 E C -2.512 173.959 176.600 -0.215 0.000 1.008 143 E CA -1.954 54.362 56.400 -0.140 0.000 0.856 143 E CB 1.568 31.202 29.700 -0.111 0.000 1.120 143 E HN 0.480 nan 8.360 nan 0.000 0.397 144 P HA 0.085 nan 4.420 nan 0.000 0.290 144 P C -1.379 175.791 177.300 -0.217 0.000 1.276 144 P CA -0.376 62.614 63.100 -0.183 0.000 0.808 144 P CB 0.871 32.519 31.700 -0.088 0.000 0.966 145 Q N 2.627 122.245 119.800 -0.304 0.000 2.327 145 Q HA 0.261 4.698 4.340 0.162 0.000 0.270 145 Q C -0.658 175.266 176.000 -0.127 0.000 1.022 145 Q CA -0.717 54.941 55.803 -0.242 0.000 0.773 145 Q CB 1.205 29.720 28.738 -0.373 0.000 1.251 145 Q HN 0.289 nan 8.270 nan 0.000 0.457 146 K N 2.297 122.651 120.400 -0.077 0.000 2.412 146 K HA 0.237 4.654 4.320 0.162 0.000 0.281 146 K C -0.213 176.335 176.600 -0.086 0.000 1.027 146 K CA -0.133 56.121 56.287 -0.054 0.000 0.989 146 K CB 0.707 33.187 32.500 -0.034 0.000 0.935 146 K HN 0.468 nan 8.250 nan 0.000 0.475 147 V N -0.554 119.261 119.914 -0.166 0.000 3.040 147 V HA 0.381 4.598 4.120 0.162 0.000 0.312 147 V C -0.656 175.244 176.094 -0.323 0.000 1.115 147 V CA -1.229 60.892 62.300 -0.298 0.000 0.998 147 V CB 2.002 33.505 31.823 -0.534 0.000 1.042 147 V HN 0.653 nan 8.190 nan 0.000 0.433 148 N N 1.140 119.683 118.700 -0.261 0.000 2.918 148 N HA 0.398 5.235 4.740 0.162 0.000 0.247 148 N C 0.182 175.621 175.510 -0.118 0.000 1.117 148 N CA -0.525 52.443 53.050 -0.137 0.000 1.005 148 N CB -0.435 38.013 38.487 -0.065 0.000 1.297 148 N HN 0.740 nan 8.380 nan 0.000 0.513 149 F N 1.194 121.148 119.950 0.006 0.000 2.146 149 F HA -0.058 4.565 4.527 0.160 0.000 0.298 149 F C 2.086 177.884 175.800 -0.003 0.000 1.096 149 F CA 0.707 58.703 58.000 -0.007 0.000 1.275 149 F CB 0.243 39.233 39.000 -0.017 0.000 1.008 149 F HN 0.336 nan 8.300 nan 0.000 0.480 150 K N -0.331 120.183 120.400 0.191 0.000 2.032 150 K HA -0.168 4.249 4.320 0.162 0.000 0.209 150 K C 1.659 178.304 176.600 0.076 0.000 1.048 150 K CA 2.065 58.420 56.287 0.114 0.000 0.927 150 K CB -0.467 32.087 32.500 0.089 0.000 0.712 150 K HN 0.323 nan 8.250 nan 0.000 0.441 151 T N -3.798 110.791 114.554 0.058 0.000 3.091 151 T HA 0.460 4.907 4.350 0.162 0.000 0.277 151 T C 0.201 174.919 174.700 0.029 0.000 0.996 151 T CA -0.210 61.913 62.100 0.037 0.000 0.897 151 T CB 1.165 70.048 68.868 0.025 0.000 1.109 151 T HN 0.071 nan 8.240 nan 0.000 0.534 152 A N 2.373 125.213 122.820 0.033 0.000 3.448 152 A HA 0.575 4.992 4.320 0.162 0.000 0.232 152 A C -1.927 175.676 177.584 0.032 0.000 1.018 152 A CA -0.888 51.159 52.037 0.017 0.000 0.996 152 A CB 0.710 19.704 19.000 -0.010 0.000 1.283 152 A HN 0.174 nan 8.150 nan 0.000 0.586 153 P HA -0.161 nan 4.420 nan 0.000 0.218 153 P C 0.986 178.337 177.300 0.086 0.000 1.149 153 P CA 1.215 64.398 63.100 0.139 0.000 0.817 153 P CB 0.410 32.182 31.700 0.120 0.000 0.785 154 E N 0.219 120.446 120.200 0.044 0.000 2.072 154 E HA -0.176 4.271 4.350 0.162 0.000 0.190 154 E C 2.231 178.836 176.600 0.008 0.000 0.982 154 E CA 0.786 57.200 56.400 0.025 0.000 0.803 154 E CB -0.540 29.171 29.700 0.017 0.000 0.755 154 E HN 0.405 nan 8.360 nan 0.000 0.453 155 Q N 0.795 120.593 119.800 -0.003 0.000 2.061 155 Q HA -0.148 4.289 4.340 0.162 0.000 0.204 155 Q C 2.163 178.134 176.000 -0.048 0.000 0.984 155 Q CA 1.914 57.703 55.803 -0.022 0.000 0.846 155 Q CB 0.069 28.790 28.738 -0.029 0.000 0.902 155 Q HN 0.078 nan 8.270 nan 0.000 0.421 156 S N 0.443 116.099 115.700 -0.072 0.000 2.368 156 S HA -0.167 4.400 4.470 0.162 0.000 0.225 156 S C 1.801 176.345 174.600 -0.093 0.000 1.030 156 S CA 1.295 59.402 58.200 -0.155 0.000 0.999 156 S CB -0.346 62.673 63.200 -0.302 0.000 0.844 156 S HN 0.386 nan 8.310 nan 0.000 0.459 157 R N 1.518 122.017 120.500 -0.001 0.000 2.080 157 R HA -0.101 4.336 4.340 0.162 0.000 0.236 157 R C 2.063 178.343 176.300 -0.033 0.000 1.137 157 R CA 1.572 57.672 56.100 0.000 0.000 0.943 157 R CB -0.165 30.151 30.300 0.027 0.000 0.846 157 R HN 0.294 nan 8.270 nan 0.000 0.431 158 K N -0.097 120.290 120.400 -0.021 0.000 2.097 158 K HA -0.191 4.227 4.320 0.162 0.000 0.206 158 K C 2.032 178.624 176.600 -0.013 0.000 1.049 158 K CA 1.533 57.813 56.287 -0.011 0.000 0.933 158 K CB -0.094 32.404 32.500 -0.004 0.000 0.717 158 K HN 0.154 nan 8.250 nan 0.000 0.442 159 E N 1.528 121.706 120.200 -0.037 0.000 2.085 159 E HA -0.162 4.285 4.350 0.162 0.000 0.194 159 E C 1.689 178.266 176.600 -0.038 0.000 0.994 159 E CA 1.322 57.709 56.400 -0.021 0.000 0.801 159 E CB -0.133 29.541 29.700 -0.043 0.000 0.743 159 E HN 0.256 nan 8.360 nan 0.000 0.453 160 I N 0.533 120.972 120.570 -0.218 0.000 2.202 160 I HA -0.235 4.032 4.170 0.162 0.000 0.242 160 I C 1.892 178.018 176.117 0.016 0.000 1.091 160 I CA 0.947 62.045 61.300 -0.337 0.000 1.368 160 I CB -0.405 37.262 38.000 -0.555 0.000 1.058 160 I HN 0.125 nan 8.210 nan 0.000 0.410 161 N N 0.499 119.205 118.700 0.009 0.000 2.149 161 N HA -0.145 4.692 4.740 0.162 0.000 0.188 161 N C 1.834 177.389 175.510 0.076 0.000 1.019 161 N CA 1.724 54.805 53.050 0.052 0.000 0.857 161 N CB -0.650 37.850 38.487 0.023 0.000 0.997 161 N HN 0.305 nan 8.380 nan 0.000 0.426 162 T N -0.350 114.253 114.554 0.081 0.000 2.746 162 T HA -0.151 4.296 4.350 0.162 0.000 0.267 162 T C 1.515 176.296 174.700 0.135 0.000 1.039 162 T CA 0.991 63.141 62.100 0.084 0.000 1.142 162 T CB -0.356 68.560 68.868 0.079 0.000 0.866 162 T HN 0.435 nan 8.240 nan 0.000 0.444 163 W N 1.650 122.974 121.300 0.041 0.000 2.355 163 W HA -0.150 4.604 4.660 0.156 0.000 0.309 163 W C 2.056 178.619 176.519 0.074 0.000 1.206 163 W CA 0.650 58.047 57.345 0.087 0.000 1.284 163 W CB -0.579 28.999 29.460 0.197 0.000 1.145 163 W HN -0.051 nan 8.180 nan 0.000 0.502 164 V N 0.950 121.000 119.914 0.228 0.000 2.343 164 V HA -0.321 3.897 4.120 0.162 0.000 0.247 164 V C 2.211 178.244 176.094 -0.100 0.000 1.051 164 V CA 2.375 64.697 62.300 0.037 0.000 1.036 164 V CB -0.946 30.979 31.823 0.170 0.000 0.654 164 V HN 0.215 nan 8.190 nan 0.000 0.451 165 E N -0.014 120.152 120.200 -0.057 0.000 2.058 165 E HA -0.224 4.223 4.350 0.162 0.000 0.194 165 E C 2.490 178.990 176.600 -0.167 0.000 0.997 165 E CA 1.800 58.143 56.400 -0.095 0.000 0.801 165 E CB -0.129 29.535 29.700 -0.059 0.000 0.746 165 E HN 0.461 nan 8.360 nan 0.000 0.450 166 K N 0.330 120.614 120.400 -0.192 0.000 2.057 166 K HA -0.119 4.298 4.320 0.162 0.000 0.207 166 K C 2.040 178.443 176.600 -0.328 0.000 1.049 166 K CA 1.080 57.224 56.287 -0.239 0.000 0.931 166 K CB -0.329 32.042 32.500 -0.215 0.000 0.714 166 K HN 0.231 nan 8.250 nan 0.000 0.440 167 Q N -0.003 119.527 119.800 -0.449 0.000 2.369 167 Q HA 0.000 4.437 4.340 0.162 0.000 0.206 167 Q C 1.707 177.559 176.000 -0.247 0.000 0.963 167 Q CA 1.611 57.165 55.803 -0.416 0.000 0.894 167 Q CB -0.177 28.181 28.738 -0.632 0.000 0.965 167 Q HN 0.758 nan 8.270 nan 0.000 0.475 168 T N -2.800 111.611 114.554 -0.237 0.000 3.132 168 T HA 0.161 4.608 4.350 0.162 0.000 0.274 168 T C -0.009 174.475 174.700 -0.360 0.000 1.011 168 T CA -0.341 61.672 62.100 -0.144 0.000 0.899 168 T CB 0.396 69.257 68.868 -0.012 0.000 1.089 168 T HN -0.016 nan 8.240 nan 0.000 0.543 169 E N 1.187 121.078 120.200 -0.515 0.000 2.328 169 E HA -0.207 4.240 4.350 0.162 0.000 0.233 169 E C 0.404 176.844 176.600 -0.266 0.000 1.219 169 E CA 0.900 57.023 56.400 -0.461 0.000 0.717 169 E CB -2.553 26.721 29.700 -0.709 0.000 1.210 169 E HN 0.758 nan 8.360 nan 0.000 0.381 170 S N -2.103 113.473 115.700 -0.206 0.000 3.445 170 S HA -0.252 4.315 4.470 0.162 0.000 0.319 170 S C 1.157 175.648 174.600 -0.182 0.000 1.209 170 S CA 1.510 59.617 58.200 -0.156 0.000 0.934 170 S CB -0.393 62.728 63.200 -0.131 0.000 0.999 170 S HN 0.267 nan 8.310 nan 0.000 0.582 171 K N 0.125 120.400 120.400 -0.208 0.000 2.323 171 K HA 0.229 4.646 4.320 0.162 0.000 0.197 171 K C 0.568 177.031 176.600 -0.228 0.000 1.043 171 K CA 0.447 56.518 56.287 -0.361 0.000 0.997 171 K CB 0.228 32.449 32.500 -0.464 0.000 0.807 171 K HN 0.412 nan 8.250 nan 0.000 0.497 172 I N 2.434 122.952 120.570 -0.085 0.000 2.412 172 I HA 0.152 4.420 4.170 0.162 0.000 0.279 172 I C 1.030 177.133 176.117 -0.024 0.000 1.063 172 I CA -0.207 61.083 61.300 -0.017 0.000 1.193 172 I CB 1.015 39.038 38.000 0.037 0.000 1.370 172 I HN -0.059 nan 8.210 nan 0.000 0.479 173 K N 4.034 124.417 120.400 -0.029 0.000 1.997 173 K HA 0.038 4.455 4.320 0.162 0.000 0.212 173 K C 0.292 176.891 176.600 -0.001 0.000 1.033 173 K CA 1.065 57.337 56.287 -0.026 0.000 0.950 173 K CB 0.055 32.535 32.500 -0.032 0.000 0.751 173 K HN 0.412 nan 8.250 nan 0.000 0.444 174 N N 1.825 120.530 118.700 0.007 0.000 3.234 174 N HA 0.063 4.900 4.740 0.162 0.000 0.272 174 N C 0.369 175.894 175.510 0.025 0.000 1.254 174 N CA -0.211 52.847 53.050 0.015 0.000 1.087 174 N CB 0.794 39.288 38.487 0.012 0.000 1.356 174 N HN 0.072 nan 8.380 nan 0.000 0.511 175 L N 1.185 122.428 121.223 0.033 0.000 1.971 175 L HA -0.045 4.393 4.340 0.162 0.000 0.215 175 L C 0.042 176.934 176.870 0.038 0.000 1.072 175 L CA 1.896 56.762 54.840 0.044 0.000 0.758 175 L CB -0.101 41.997 42.059 0.065 0.000 0.889 175 L HN 0.367 nan 8.230 nan 0.000 0.433 176 L N -0.201 121.041 121.223 0.030 0.000 2.325 176 L HA 0.365 4.802 4.340 0.162 0.000 0.279 176 L C 0.492 177.373 176.870 0.018 0.000 1.054 176 L CA -0.360 54.494 54.840 0.022 0.000 0.804 176 L CB 1.348 43.416 42.059 0.015 0.000 1.200 176 L HN 0.264 nan 8.230 nan 0.000 0.436 177 S N -0.296 115.413 115.700 0.016 0.000 2.758 177 S HA 0.258 4.826 4.470 0.162 0.000 0.292 177 S C 1.025 175.632 174.600 0.011 0.000 1.131 177 S CA -0.079 58.129 58.200 0.014 0.000 0.997 177 S CB 1.579 64.787 63.200 0.014 0.000 1.111 177 S HN 0.676 nan 8.310 nan 0.000 0.552 178 S N -0.193 115.513 115.700 0.010 0.000 2.447 178 S HA -0.095 4.472 4.470 0.162 0.000 0.233 178 S C 0.705 175.307 174.600 0.005 0.000 1.006 178 S CA 1.031 59.237 58.200 0.010 0.000 0.957 178 S CB -0.744 62.462 63.200 0.010 0.000 0.773 178 S HN 0.723 nan 8.310 nan 0.000 0.507 179 D N 1.768 122.170 120.400 0.002 0.000 2.317 179 D HA 0.045 4.782 4.640 0.162 0.000 0.211 179 D C 1.071 177.365 176.300 -0.010 0.000 0.966 179 D CA 0.700 54.698 54.000 -0.003 0.000 0.876 179 D CB -0.194 40.605 40.800 -0.001 0.000 0.927 179 D HN 0.456 nan 8.370 nan 0.000 0.519 180 D N -0.280 120.114 120.400 -0.010 0.000 2.259 180 D HA 0.016 4.753 4.640 0.162 0.000 0.216 180 D C 0.492 176.764 176.300 -0.047 0.000 0.961 180 D CA 0.388 54.375 54.000 -0.021 0.000 0.878 180 D CB 0.715 41.510 40.800 -0.008 0.000 1.009 180 D HN -0.003 nan 8.370 nan 0.000 0.490 181 V N 1.894 121.790 119.914 -0.030 0.000 2.370 181 V HA 0.336 4.553 4.120 0.162 0.000 0.283 181 V C 0.188 176.271 176.094 -0.018 0.000 1.023 181 V CA -0.443 61.833 62.300 -0.041 0.000 0.857 181 V CB 1.615 33.467 31.823 0.047 0.000 0.985 181 V HN -0.097 nan 8.190 nan 0.000 0.443 182 K N 2.447 122.812 120.400 -0.058 0.000 2.372 182 K HA 0.731 5.148 4.320 0.162 0.000 0.251 182 K C 1.101 177.698 176.600 -0.006 0.000 1.055 182 K CA -0.398 55.875 56.287 -0.023 0.000 0.879 182 K CB 1.928 34.405 32.500 -0.038 0.000 1.384 182 K HN 0.459 nan 8.250 nan 0.000 0.465 183 A N 0.254 123.085 122.820 0.018 0.000 2.024 183 A HA -0.147 4.270 4.320 0.162 0.000 0.220 183 A C 1.804 179.396 177.584 0.012 0.000 1.164 183 A CA 2.331 54.392 52.037 0.040 0.000 0.643 183 A CB -1.062 17.958 19.000 0.033 0.000 0.806 183 A HN 0.815 nan 8.150 nan 0.000 0.451 184 T N -3.093 111.441 114.554 -0.034 0.000 3.088 184 T HA 0.067 4.515 4.350 0.162 0.000 0.259 184 T C 0.793 175.408 174.700 -0.142 0.000 1.122 184 T CA 0.815 62.879 62.100 -0.060 0.000 1.095 184 T CB -0.701 68.135 68.868 -0.054 0.000 0.930 184 T HN 0.246 nan 8.240 nan 0.000 0.508 185 T N 2.712 117.121 114.554 -0.242 0.000 2.916 185 T HA 0.248 4.695 4.350 0.162 0.000 0.303 185 T C 0.948 175.321 174.700 -0.546 0.000 1.025 185 T CA -0.447 61.347 62.100 -0.511 0.000 1.142 185 T CB 1.022 69.364 68.868 -0.876 0.000 0.947 185 T HN 0.183 nan 8.240 nan 0.000 0.544 186 R N 1.379 121.585 120.500 -0.490 0.000 2.276 186 R HA 0.335 4.772 4.340 0.162 0.000 0.195 186 R C -0.333 175.841 176.300 -0.211 0.000 0.908 186 R CA 0.265 56.179 56.100 -0.311 0.000 1.083 186 R CB 0.157 30.175 30.300 -0.470 0.000 1.182 186 R HN 0.407 nan 8.270 nan 0.000 0.608 187 L N 0.779 121.823 121.223 -0.298 0.000 2.445 187 L HA 0.535 4.972 4.340 0.162 0.000 0.262 187 L C -0.925 175.866 176.870 -0.132 0.000 0.974 187 L CA -0.312 54.462 54.840 -0.110 0.000 0.822 187 L CB 2.829 44.785 42.059 -0.173 0.000 1.339 187 L HN -0.124 nan 8.230 nan 0.000 0.409 188 I N 3.723 124.336 120.570 0.070 0.000 2.439 188 I HA 0.396 4.663 4.170 0.162 0.000 0.285 188 I C -0.989 175.199 176.117 0.119 0.000 1.021 188 I CA -0.458 60.879 61.300 0.062 0.000 1.091 188 I CB 1.535 39.600 38.000 0.108 0.000 1.242 188 I HN 0.315 nan 8.210 nan 0.000 0.439 189 L N 7.036 128.276 121.223 0.028 0.000 2.264 189 L HA 0.615 5.052 4.340 0.162 0.000 0.289 189 L C -0.548 176.353 176.870 0.051 0.000 1.044 189 L CA -0.840 54.010 54.840 0.016 0.000 0.807 189 L CB 1.467 43.498 42.059 -0.048 0.000 1.192 189 L HN 0.265 nan 8.230 nan 0.000 0.425 190 V N 2.893 122.860 119.914 0.089 0.000 2.540 190 V HA 0.411 4.628 4.120 0.162 0.000 0.302 190 V C -0.294 175.937 176.094 0.228 0.000 1.035 190 V CA -0.708 61.700 62.300 0.181 0.000 0.873 190 V CB 2.060 34.056 31.823 0.288 0.000 0.992 190 V HN 0.792 nan 8.190 nan 0.000 0.428 191 N N 2.636 121.483 118.700 0.245 0.000 2.314 191 N HA 0.768 5.606 4.740 0.162 0.000 0.304 191 N C -0.916 174.801 175.510 0.345 0.000 1.073 191 N CA -0.191 53.034 53.050 0.291 0.000 0.822 191 N CB 2.461 41.041 38.487 0.157 0.000 1.280 191 N HN 0.860 nan 8.380 nan 0.000 0.489 192 A N 3.384 126.425 122.820 0.367 0.000 2.401 192 A HA 0.730 5.147 4.320 0.162 0.000 0.310 192 A C -1.029 176.744 177.584 0.314 0.000 1.075 192 A CA -0.767 51.431 52.037 0.268 0.000 0.746 192 A CB 1.133 20.185 19.000 0.087 0.000 1.277 192 A HN 0.728 nan 8.150 nan 0.000 0.425 193 I N 0.688 121.449 120.570 0.317 0.000 2.619 193 I HA 0.680 4.947 4.170 0.162 0.000 0.292 193 I C -2.148 174.165 176.117 0.328 0.000 1.100 193 I CA -0.784 60.727 61.300 0.352 0.000 1.043 193 I CB 1.966 40.226 38.000 0.434 0.000 1.239 193 I HN 0.760 nan 8.210 nan 0.000 0.420 194 Y N 7.645 128.041 120.300 0.160 0.000 2.442 194 Y HA 0.640 5.290 4.550 0.166 0.000 0.344 194 Y C -2.101 173.912 175.900 0.189 0.000 0.976 194 Y CA -0.985 57.198 58.100 0.139 0.000 1.040 194 Y CB 1.717 40.212 38.460 0.058 0.000 1.228 194 Y HN 0.507 nan 8.280 nan 0.000 0.451 195 F N 6.552 126.077 119.950 -0.708 0.000 2.561 195 F HA 0.672 5.306 4.527 0.178 0.000 0.313 195 F C -1.800 173.534 175.800 -0.777 0.000 1.126 195 F CA -0.763 56.899 58.000 -0.562 0.000 0.918 195 F CB 1.518 40.306 39.000 -0.354 0.000 1.199 195 F HN 0.501 nan 8.300 nan 0.000 0.444 196 K N 4.969 124.580 120.400 -1.315 0.000 2.565 196 K HA 0.841 5.258 4.320 0.162 0.000 0.251 196 K C -2.131 173.871 176.600 -0.996 0.000 0.956 196 K CA -0.584 55.014 56.287 -1.149 0.000 0.809 196 K CB 1.745 33.929 32.500 -0.526 0.000 1.267 196 K HN 0.924 nan 8.250 nan 0.000 0.438 197 A N 3.321 125.485 122.820 -1.093 0.000 2.594 197 A HA 0.445 4.862 4.320 0.162 0.000 0.295 197 A C -1.342 176.004 177.584 -0.397 0.000 1.071 197 A CA -0.828 50.840 52.037 -0.616 0.000 0.685 197 A CB 1.275 19.850 19.000 -0.708 0.000 1.285 197 A HN 0.749 nan 8.150 nan 0.000 0.405 198 E N 0.519 120.633 120.200 -0.142 0.000 2.373 198 E HA 0.212 4.659 4.350 0.162 0.000 0.263 198 E C -0.845 175.814 176.600 0.098 0.000 1.073 198 E CA -0.109 56.260 56.400 -0.052 0.000 0.894 198 E CB 0.681 30.404 29.700 0.037 0.000 1.008 198 E HN 0.613 nan 8.360 nan 0.000 0.420 199 W N 1.329 122.745 121.300 0.192 0.000 2.170 199 W HA -0.032 4.725 4.660 0.161 0.000 0.342 199 W C 1.685 178.231 176.519 0.045 0.000 1.294 199 W CA 0.041 57.433 57.345 0.079 0.000 1.246 199 W CB 0.275 29.747 29.460 0.020 0.000 1.156 199 W HN 0.740 nan 8.180 nan 0.000 0.572 200 E N 0.640 121.009 120.200 0.282 0.000 2.058 200 E HA -0.179 4.268 4.350 0.162 0.000 0.194 200 E C -0.101 176.561 176.600 0.104 0.000 0.997 200 E CA 1.011 57.501 56.400 0.149 0.000 0.801 200 E CB 0.115 29.871 29.700 0.094 0.000 0.746 200 E HN 0.182 nan 8.360 nan 0.000 0.450 201 V N 2.435 122.407 119.914 0.097 0.000 2.326 201 V HA 0.221 4.439 4.120 0.162 0.000 0.281 201 V C -0.530 175.546 176.094 -0.030 0.000 1.015 201 V CA -0.607 61.685 62.300 -0.013 0.000 0.823 201 V CB 1.428 33.171 31.823 -0.134 0.000 1.009 201 V HN 0.077 nan 8.190 nan 0.000 0.436 202 K N 3.796 124.229 120.400 0.054 0.000 2.237 202 K HA 0.508 4.925 4.320 0.162 0.000 0.270 202 K C -0.507 176.076 176.600 -0.029 0.000 1.015 202 K CA -0.290 56.092 56.287 0.159 0.000 0.949 202 K CB 0.855 33.487 32.500 0.220 0.000 0.976 202 K HN 0.386 nan 8.250 nan 0.000 0.472 203 F N 1.469 121.441 119.950 0.036 0.000 2.450 203 F HA 0.028 4.651 4.527 0.160 0.000 0.339 203 F C 1.051 176.863 175.800 0.020 0.000 1.146 203 F CA -0.110 57.875 58.000 -0.025 0.000 1.267 203 F CB 0.537 39.515 39.000 -0.037 0.000 1.178 203 F HN 0.194 nan 8.300 nan 0.000 0.585 204 Q N 1.684 121.591 119.800 0.179 0.000 2.278 204 Q HA 0.372 4.809 4.340 0.162 0.000 0.257 204 Q C 0.777 176.857 176.000 0.134 0.000 0.928 204 Q CA -0.250 55.627 55.803 0.123 0.000 0.932 204 Q CB 1.520 30.300 28.738 0.071 0.000 1.221 204 Q HN 0.834 nan 8.270 nan 0.000 0.434 205 A N 3.372 126.257 122.820 0.109 0.000 1.978 205 A HA -0.245 4.172 4.320 0.162 0.000 0.220 205 A C 1.724 179.355 177.584 0.078 0.000 1.170 205 A CA 1.863 53.953 52.037 0.089 0.000 0.636 205 A CB -0.295 18.747 19.000 0.069 0.000 0.810 205 A HN 0.839 nan 8.150 nan 0.000 0.448 206 E N 0.260 120.504 120.200 0.074 0.000 2.204 206 E HA -0.211 4.237 4.350 0.162 0.000 0.195 206 E C 1.418 178.067 176.600 0.083 0.000 0.990 206 E CA 1.350 57.790 56.400 0.067 0.000 0.821 206 E CB -0.294 29.441 29.700 0.058 0.000 0.750 206 E HN 0.618 nan 8.360 nan 0.000 0.477 207 K N 0.802 121.271 120.400 0.115 0.000 2.459 207 K HA 0.080 4.497 4.320 0.162 0.000 0.193 207 K C 0.251 176.943 176.600 0.153 0.000 1.030 207 K CA 0.342 56.726 56.287 0.162 0.000 1.026 207 K CB 0.308 32.958 32.500 0.251 0.000 0.809 207 K HN 0.036 nan 8.250 nan 0.000 0.504 208 T N 1.823 116.444 114.554 0.112 0.000 2.907 208 T HA 0.157 4.604 4.350 0.162 0.000 0.298 208 T C 0.197 174.936 174.700 0.064 0.000 1.017 208 T CA -0.250 61.899 62.100 0.081 0.000 1.118 208 T CB 1.112 70.010 68.868 0.050 0.000 0.948 208 T HN 0.235 nan 8.240 nan 0.000 0.531 209 S N 0.466 116.202 115.700 0.061 0.000 2.625 209 S HA 0.607 5.174 4.470 0.162 0.000 0.271 209 S C -0.580 174.047 174.600 0.044 0.000 1.161 209 S CA -1.002 57.226 58.200 0.047 0.000 0.820 209 S CB 0.735 63.961 63.200 0.042 0.000 1.137 209 S HN 0.446 nan 8.310 nan 0.000 0.470 210 I N 2.505 123.095 120.570 0.034 0.000 2.452 210 I HA 0.494 4.761 4.170 0.162 0.000 0.287 210 I C -0.080 176.058 176.117 0.035 0.000 1.079 210 I CA -0.163 61.157 61.300 0.033 0.000 1.387 210 I CB -0.203 37.812 38.000 0.025 0.000 1.404 210 I HN 0.688 nan 8.210 nan 0.000 0.522 211 Q N 6.123 125.952 119.800 0.047 0.000 2.421 211 Q HA 0.508 4.945 4.340 0.162 0.000 0.280 211 Q C -2.809 173.226 176.000 0.059 0.000 1.085 211 Q CA -2.039 53.790 55.803 0.043 0.000 0.807 211 Q CB 2.437 31.205 28.738 0.051 0.000 1.405 211 Q HN 0.402 nan 8.270 nan 0.000 0.419 212 P HA 0.208 nan 4.420 nan 0.000 0.276 212 P C -0.931 176.421 177.300 0.087 0.000 1.235 212 P CA -0.157 62.975 63.100 0.052 0.000 0.772 212 P CB 0.242 31.947 31.700 0.007 0.000 0.871 213 F N 4.603 124.539 119.950 -0.024 0.000 2.404 213 F HA 0.379 5.004 4.527 0.162 0.000 0.354 213 F C 0.520 176.303 175.800 -0.029 0.000 1.122 213 F CA -0.931 57.051 58.000 -0.030 0.000 1.080 213 F CB 1.136 40.116 39.000 -0.033 0.000 1.131 213 F HN 0.142 nan 8.300 nan 0.000 0.471 214 R N 6.708 126.895 120.500 -0.522 0.000 2.220 214 R HA 0.239 4.677 4.340 0.162 0.000 0.340 214 R C 0.581 176.663 176.300 -0.364 0.000 1.076 214 R CA -0.419 55.483 56.100 -0.330 0.000 0.920 214 R CB 0.579 30.712 30.300 -0.279 0.000 1.062 214 R HN 0.718 nan 8.270 nan 0.000 0.469 215 L N 0.929 122.094 121.223 -0.096 0.000 2.156 215 L HA -0.067 4.370 4.340 0.162 0.000 0.208 215 L C 0.919 177.768 176.870 -0.034 0.000 1.095 215 L CA 1.294 56.138 54.840 0.007 0.000 0.770 215 L CB -0.359 41.751 42.059 0.084 0.000 0.914 215 L HN 0.732 nan 8.230 nan 0.000 0.439 216 S N -3.382 112.287 115.700 -0.051 0.000 2.790 216 S HA 0.337 4.904 4.470 0.162 0.000 0.292 216 S C 0.499 175.067 174.600 -0.054 0.000 1.197 216 S CA -0.868 57.306 58.200 -0.043 0.000 0.851 216 S CB 1.095 64.286 63.200 -0.016 0.000 1.217 216 S HN -0.068 nan 8.310 nan 0.000 0.526 217 K N 0.511 120.886 120.400 -0.041 0.000 2.147 217 K HA 0.057 4.474 4.320 0.162 0.000 0.205 217 K C 0.287 176.867 176.600 -0.033 0.000 1.049 217 K CA 1.377 57.640 56.287 -0.040 0.000 0.936 217 K CB -0.286 32.196 32.500 -0.029 0.000 0.722 217 K HN 0.446 nan 8.250 nan 0.000 0.446 218 N N 0.581 119.267 118.700 -0.024 0.000 2.275 218 N HA 0.062 4.899 4.740 0.162 0.000 0.236 218 N C -0.916 174.586 175.510 -0.013 0.000 1.154 218 N CA 0.129 53.168 53.050 -0.017 0.000 0.866 218 N CB 1.023 39.503 38.487 -0.011 0.000 1.093 218 N HN 0.066 nan 8.380 nan 0.000 0.515 219 K N 0.587 120.977 120.400 -0.016 0.000 2.557 219 K HA 0.385 4.802 4.320 0.162 0.000 0.261 219 K C -1.475 175.119 176.600 -0.009 0.000 0.932 219 K CA -0.375 55.909 56.287 -0.005 0.000 0.829 219 K CB 1.464 33.968 32.500 0.007 0.000 1.358 219 K HN 0.079 nan 8.250 nan 0.000 0.430 220 S N 0.548 116.253 115.700 0.008 0.000 2.570 220 S HA 0.680 5.247 4.470 0.162 0.000 0.270 220 S C -1.564 173.068 174.600 0.054 0.000 1.149 220 S CA -0.920 57.293 58.200 0.023 0.000 0.837 220 S CB 2.049 65.244 63.200 -0.009 0.000 1.124 220 S HN 0.348 nan 8.310 nan 0.000 0.465 221 K N 1.262 121.723 120.400 0.101 0.000 2.469 221 K HA 0.801 5.218 4.320 0.162 0.000 0.254 221 K C -3.342 173.319 176.600 0.102 0.000 0.939 221 K CA -1.704 54.636 56.287 0.089 0.000 0.812 221 K CB 1.949 34.501 32.500 0.086 0.000 1.301 221 K HN 0.782 nan 8.250 nan 0.000 0.433 222 P HA 0.343 nan 4.420 nan 0.000 0.276 222 P C -0.560 176.770 177.300 0.050 0.000 1.230 222 P CA -0.329 62.806 63.100 0.058 0.000 0.776 222 P CB 0.870 32.592 31.700 0.036 0.000 0.888 223 V N -0.141 119.807 119.914 0.057 0.000 3.078 223 V HA 0.514 4.731 4.120 0.162 0.000 0.311 223 V C -0.325 175.790 176.094 0.034 0.000 1.138 223 V CA -1.395 60.921 62.300 0.027 0.000 1.007 223 V CB 2.104 33.922 31.823 -0.007 0.000 1.045 223 V HN 0.231 nan 8.190 nan 0.000 0.432 224 K N 2.494 122.906 120.400 0.020 0.000 2.315 224 K HA 0.403 4.820 4.320 0.162 0.000 0.291 224 K C -0.615 176.000 176.600 0.025 0.000 1.074 224 K CA -0.160 56.141 56.287 0.022 0.000 0.936 224 K CB 0.672 33.178 32.500 0.010 0.000 1.049 224 K HN 0.713 nan 8.250 nan 0.000 0.471 225 M N 4.896 124.525 119.600 0.049 0.000 2.080 225 M HA 0.233 4.810 4.480 0.162 0.000 0.350 225 M C -0.660 175.672 176.300 0.053 0.000 1.173 225 M CA -0.051 55.291 55.300 0.071 0.000 1.052 225 M CB 0.702 33.383 32.600 0.135 0.000 1.577 225 M HN 0.471 nan 8.290 nan 0.000 0.455 226 M N 4.094 123.660 119.600 -0.057 0.000 2.241 226 M HA 0.302 4.879 4.480 0.162 0.000 0.335 226 M C -1.081 175.240 176.300 0.035 0.000 1.122 226 M CA -0.172 55.045 55.300 -0.138 0.000 1.164 226 M CB 0.810 33.018 32.600 -0.654 0.000 1.459 226 M HN 0.670 nan 8.290 nan 0.000 0.461 227 Y N 3.115 123.445 120.300 0.050 0.000 2.504 227 Y HA 0.702 5.349 4.550 0.162 0.000 0.344 227 Y C -1.307 174.680 175.900 0.145 0.000 1.023 227 Y CA -1.295 56.801 58.100 -0.006 0.000 1.020 227 Y CB 1.644 39.991 38.460 -0.189 0.000 1.282 227 Y HN 0.774 nan 8.280 nan 0.000 0.454 228 M N 5.107 124.159 119.600 -0.912 0.000 2.534 228 M HA 0.582 5.159 4.480 0.162 0.000 0.280 228 M C -2.143 173.593 176.300 -0.941 0.000 1.217 228 M CA -0.974 53.755 55.300 -0.951 0.000 0.893 228 M CB 2.589 34.840 32.600 -0.581 0.000 1.730 228 M HN 0.726 nan 8.290 nan 0.000 0.483 229 R N 1.975 122.107 120.500 -0.614 0.000 2.246 229 R HA 0.560 4.997 4.340 0.162 0.000 0.332 229 R C -1.703 174.471 176.300 -0.210 0.000 0.974 229 R CA 0.005 55.935 56.100 -0.282 0.000 0.837 229 R CB 0.806 31.031 30.300 -0.124 0.000 1.145 229 R HN 0.906 nan 8.270 nan 0.000 0.467 230 D N 1.362 121.668 120.400 -0.156 0.000 2.713 230 D HA 0.212 4.949 4.640 0.162 0.000 0.306 230 D C -1.283 174.822 176.300 -0.324 0.000 1.299 230 D CA -0.328 53.509 54.000 -0.272 0.000 0.823 230 D CB 2.580 43.135 40.800 -0.409 0.000 1.353 230 D HN 0.396 nan 8.370 nan 0.000 0.447 231 T N 1.187 115.408 114.554 -0.555 0.000 2.767 231 T HA 0.629 5.077 4.350 0.162 0.000 0.284 231 T C -0.624 173.609 174.700 -0.778 0.000 0.973 231 T CA -0.160 61.672 62.100 -0.448 0.000 0.996 231 T CB 0.132 68.823 68.868 -0.294 0.000 0.927 231 T HN 0.123 nan 8.240 nan 0.000 0.456 232 F N 2.645 122.518 119.950 -0.128 0.000 2.613 232 F HA 0.469 5.095 4.527 0.164 0.000 0.314 232 F C -2.451 173.289 175.800 -0.099 0.000 1.075 232 F CA -2.892 55.026 58.000 -0.136 0.000 0.945 232 F CB 1.661 40.556 39.000 -0.174 0.000 1.310 232 F HN 0.281 nan 8.300 nan 0.000 0.467 233 P HA 0.199 nan 4.420 nan 0.000 0.271 233 P C -1.112 176.222 177.300 0.057 0.000 1.233 233 P CA 0.068 63.202 63.100 0.057 0.000 0.764 233 P CB 0.718 32.448 31.700 0.049 0.000 0.825 234 V N 5.166 125.103 119.914 0.040 0.000 2.638 234 V HA 0.357 4.574 4.120 0.162 0.000 0.306 234 V C -0.391 175.701 176.094 -0.003 0.000 1.052 234 V CA -0.735 61.577 62.300 0.019 0.000 0.885 234 V CB 2.160 33.987 31.823 0.006 0.000 0.999 234 V HN 0.302 nan 8.190 nan 0.000 0.424 235 L N 6.371 127.581 121.223 -0.020 0.000 2.298 235 L HA 0.644 5.081 4.340 0.162 0.000 0.284 235 L C -0.568 176.172 176.870 -0.218 0.000 1.013 235 L CA 0.171 54.960 54.840 -0.086 0.000 0.824 235 L CB 1.018 43.048 42.059 -0.048 0.000 1.221 235 L HN 0.545 nan 8.230 nan 0.000 0.418 236 I N 5.926 126.360 120.570 -0.225 0.000 2.315 236 I HA 0.315 4.583 4.170 0.162 0.000 0.291 236 I C -0.242 175.632 176.117 -0.406 0.000 1.006 236 I CA -0.260 60.862 61.300 -0.297 0.000 1.265 236 I CB 1.445 39.337 38.000 -0.181 0.000 1.387 236 I HN 0.651 nan 8.210 nan 0.000 0.475 237 M N 5.823 125.028 119.600 -0.658 0.000 2.386 237 M HA 0.234 4.811 4.480 0.162 0.000 0.245 237 M C 0.850 176.883 176.300 -0.446 0.000 0.982 237 M CA 0.025 54.922 55.300 -0.672 0.000 0.860 237 M CB 0.727 32.556 32.600 -1.286 0.000 1.371 237 M HN 0.711 nan 8.290 nan 0.000 0.425 238 E N 1.107 121.153 120.200 -0.256 0.000 2.085 238 E HA -0.173 4.274 4.350 0.162 0.000 0.194 238 E C 1.934 178.475 176.600 -0.099 0.000 0.994 238 E CA 2.174 58.482 56.400 -0.154 0.000 0.801 238 E CB -0.860 28.775 29.700 -0.107 0.000 0.743 238 E HN 0.755 nan 8.360 nan 0.000 0.453 239 K N 0.166 120.517 120.400 -0.081 0.000 2.097 239 K HA 0.087 4.504 4.320 0.162 0.000 0.206 239 K C 2.145 178.750 176.600 0.009 0.000 1.049 239 K CA 1.746 58.017 56.287 -0.027 0.000 0.933 239 K CB -0.517 nan 32.500 nan 0.000 0.717 239 K HN 0.559 nan 8.250 nan 0.000 0.442 240 M N -0.119 119.489 119.600 0.013 0.000 2.431 240 M HA 0.182 4.759 4.480 0.162 0.000 0.237 240 M C -0.519 175.889 176.300 0.180 0.000 1.130 240 M CA 0.010 55.391 55.300 0.135 0.000 1.002 240 M CB -0.226 32.544 32.600 0.284 0.000 1.524 240 M HN 0.503 nan 8.290 nan 0.000 0.482 241 N N 1.394 120.123 118.700 0.049 0.000 2.738 241 N HA -0.199 4.638 4.740 0.162 0.000 0.249 241 N C -0.935 174.654 175.510 0.132 0.000 1.047 241 N CA 0.576 53.655 53.050 0.048 0.000 0.707 241 N CB -1.405 37.115 38.487 0.056 0.000 0.937 241 N HN 0.589 nan 8.380 nan 0.000 0.545 242 F N -2.231 117.640 119.950 -0.132 0.000 2.713 242 F HA 0.669 5.296 4.527 0.166 0.000 0.311 242 F C -1.482 174.215 175.800 -0.173 0.000 1.141 242 F CA -1.259 56.651 58.000 -0.151 0.000 0.939 242 F CB 1.373 40.258 39.000 -0.191 0.000 1.325 242 F HN -0.278 nan 8.300 nan 0.000 0.453 243 K N 2.314 122.655 120.400 -0.098 0.000 2.385 243 K HA 0.661 5.079 4.320 0.162 0.000 0.248 243 K C -1.643 175.002 176.600 0.075 0.000 0.955 243 K CA -1.049 55.127 56.287 -0.185 0.000 0.816 243 K CB 2.900 35.335 32.500 -0.108 0.000 1.250 243 K HN 0.906 nan 8.250 nan 0.000 0.434 244 M N 3.281 122.900 119.600 0.032 0.000 2.464 244 M HA 0.525 5.102 4.480 0.162 0.000 0.308 244 M C -1.736 174.617 176.300 0.088 0.000 1.127 244 M CA -0.841 54.548 55.300 0.148 0.000 0.913 244 M CB 1.625 34.381 32.600 0.261 0.000 1.689 244 M HN 0.760 nan 8.290 nan 0.000 0.445 245 I N 2.561 123.175 120.570 0.072 0.000 2.689 245 I HA 0.446 4.713 4.170 0.162 0.000 0.299 245 I C -1.299 174.750 176.117 -0.113 0.000 1.059 245 I CA -0.395 60.892 61.300 -0.023 0.000 1.055 245 I CB 2.123 40.060 38.000 -0.106 0.000 1.243 245 I HN 0.779 nan 8.210 nan 0.000 0.425 246 E N 7.383 127.441 120.200 -0.237 0.000 2.151 246 E HA 0.420 4.867 4.350 0.162 0.000 0.275 246 E C -1.703 174.652 176.600 -0.409 0.000 0.936 246 E CA -0.659 55.391 56.400 -0.584 0.000 0.777 246 E CB 1.321 30.628 29.700 -0.656 0.000 1.108 246 E HN 0.564 nan 8.360 nan 0.000 0.401 247 L N 6.962 127.909 121.223 -0.460 0.000 2.313 247 L HA 0.399 4.836 4.340 0.162 0.000 0.273 247 L C -2.299 174.427 176.870 -0.240 0.000 1.028 247 L CA -2.200 52.382 54.840 -0.431 0.000 0.871 247 L CB 1.046 42.713 42.059 -0.654 0.000 1.242 247 L HN 0.355 nan 8.230 nan 0.000 0.434 248 P HA 0.113 nan 4.420 nan 0.000 0.271 248 P C -0.859 176.420 177.300 -0.034 0.000 1.216 248 P CA 0.128 63.193 63.100 -0.059 0.000 0.776 248 P CB 0.443 32.154 31.700 0.019 0.000 0.881 249 Y N 0.292 120.686 120.300 0.157 0.000 2.344 249 Y HA 0.224 4.870 4.550 0.160 0.000 0.330 249 Y C 1.049 176.962 175.900 0.021 0.000 1.330 249 Y CA -0.941 57.204 58.100 0.076 0.000 1.479 249 Y CB 0.065 38.497 38.460 -0.047 0.000 1.428 249 Y HN 0.161 nan 8.280 nan 0.000 0.544 250 V N -0.060 119.953 119.914 0.166 0.000 2.681 250 V HA -0.050 4.167 4.120 0.162 0.000 0.306 250 V C 0.279 176.442 176.094 0.114 0.000 1.077 250 V CA -0.929 61.447 62.300 0.126 0.000 1.224 250 V CB -0.171 31.742 31.823 0.151 0.000 0.879 250 V HN 0.903 nan 8.190 nan 0.000 0.494 251 K N 1.708 122.175 120.400 0.111 0.000 3.349 251 K HA -0.286 4.131 4.320 0.162 0.000 0.310 251 K C 0.962 177.618 176.600 0.093 0.000 1.267 251 K CA 1.144 57.495 56.287 0.107 0.000 0.920 251 K CB -1.242 31.348 32.500 0.149 0.000 1.240 251 K HN 0.988 nan 8.250 nan 0.000 0.453 252 R N -0.104 120.446 120.500 0.083 0.000 3.741 252 R HA -0.285 4.153 4.340 0.162 0.000 0.292 252 R C 0.426 176.778 176.300 0.087 0.000 1.176 252 R CA 1.621 57.766 56.100 0.076 0.000 0.794 252 R CB -1.044 29.291 30.300 0.059 0.000 1.213 252 R HN 0.541 nan 8.270 nan 0.000 0.494 253 E N -0.435 119.815 120.200 0.084 0.000 2.158 253 E HA -0.050 4.397 4.350 0.162 0.000 0.191 253 E C 0.128 176.764 176.600 0.060 0.000 0.982 253 E CA 0.938 57.398 56.400 0.100 0.000 0.823 253 E CB 0.101 29.911 29.700 0.183 0.000 0.766 253 E HN 0.227 nan 8.360 nan 0.000 0.468 254 L N -0.525 120.712 121.223 0.024 0.000 2.333 254 L HA 0.362 4.799 4.340 0.162 0.000 0.263 254 L C -0.457 176.556 176.870 0.238 0.000 1.014 254 L CA -0.518 54.357 54.840 0.058 0.000 0.820 254 L CB 2.426 44.385 42.059 -0.166 0.000 1.352 254 L HN -0.257 nan 8.230 nan 0.000 0.421 255 S N 0.975 116.816 115.700 0.235 0.000 2.564 255 S HA 0.654 5.221 4.470 0.162 0.000 0.274 255 S C -1.074 173.639 174.600 0.189 0.000 1.124 255 S CA -0.647 57.607 58.200 0.089 0.000 0.869 255 S CB 2.022 65.121 63.200 -0.168 0.000 1.105 255 S HN 0.613 nan 8.310 nan 0.000 0.472 256 M N 2.872 122.504 119.600 0.054 0.000 2.113 256 M HA 0.540 5.117 4.480 0.162 0.000 0.352 256 M C -1.937 174.356 176.300 -0.011 0.000 1.170 256 M CA -0.376 55.043 55.300 0.199 0.000 1.053 256 M CB 0.089 32.902 32.600 0.356 0.000 1.601 256 M HN 0.542 nan 8.290 nan 0.000 0.459 257 F N 5.562 125.571 119.950 0.099 0.000 2.404 257 F HA 0.550 5.170 4.527 0.156 0.000 0.339 257 F C -0.253 175.591 175.800 0.072 0.000 1.105 257 F CA -0.356 57.688 58.000 0.072 0.000 1.087 257 F CB 1.110 40.159 39.000 0.083 0.000 1.143 257 F HN 0.419 nan 8.300 nan 0.000 0.491 258 I N 4.368 125.054 120.570 0.193 0.000 2.436 258 I HA 0.296 4.563 4.170 0.162 0.000 0.289 258 I C -1.292 174.907 176.117 0.137 0.000 1.010 258 I CA -0.763 60.617 61.300 0.133 0.000 1.098 258 I CB 1.704 39.744 38.000 0.067 0.000 1.266 258 I HN 0.247 nan 8.210 nan 0.000 0.434 259 L N 7.231 128.521 121.223 0.112 0.000 2.265 259 L HA 0.467 4.904 4.340 0.162 0.000 0.289 259 L C -0.715 176.198 176.870 0.072 0.000 1.033 259 L CA -0.246 54.653 54.840 0.098 0.000 0.814 259 L CB 1.269 43.333 42.059 0.009 0.000 1.203 259 L HN 0.397 nan 8.230 nan 0.000 0.423 260 L N 7.073 128.363 121.223 0.110 0.000 2.343 260 L HA 0.688 5.125 4.340 0.162 0.000 0.278 260 L C -2.399 174.532 176.870 0.101 0.000 0.996 260 L CA -1.695 53.190 54.840 0.075 0.000 0.831 260 L CB 1.632 43.722 42.059 0.052 0.000 1.232 260 L HN 0.307 nan 8.230 nan 0.000 0.413 261 P HA 0.097 nan 4.420 nan 0.000 0.267 261 P C -0.175 177.148 177.300 0.037 0.000 1.200 261 P CA 0.001 63.148 63.100 0.078 0.000 0.772 261 P CB 0.661 32.383 31.700 0.036 0.000 0.855 262 D N 0.158 120.575 120.400 0.028 0.000 2.190 262 D HA -0.131 4.607 4.640 0.162 0.000 0.200 262 D C 0.685 176.971 176.300 -0.023 0.000 0.992 262 D CA 1.770 55.763 54.000 -0.012 0.000 0.854 262 D CB 0.115 40.900 40.800 -0.025 0.000 0.936 262 D HN 0.449 nan 8.370 nan 0.000 0.462 263 D N -1.883 118.503 120.400 -0.022 0.000 3.650 263 D HA 0.208 4.945 4.640 0.162 0.000 0.341 263 D C -1.136 175.139 176.300 -0.042 0.000 1.479 263 D CA -0.556 53.419 54.000 -0.040 0.000 0.963 263 D CB 0.626 41.403 40.800 -0.038 0.000 1.449 263 D HN -0.236 nan 8.370 nan 0.000 0.601 264 I N 2.027 122.567 120.570 -0.051 0.000 2.337 264 I HA 0.278 4.545 4.170 0.162 0.000 0.285 264 I C 0.542 176.642 176.117 -0.028 0.000 1.041 264 I CA -0.062 61.212 61.300 -0.044 0.000 1.199 264 I CB 1.046 39.008 38.000 -0.064 0.000 1.370 264 I HN 0.089 nan 8.210 nan 0.000 0.470 265 K N 4.554 124.945 120.400 -0.015 0.000 2.618 265 K HA 0.192 4.610 4.320 0.162 0.000 0.207 265 K C -0.931 175.668 176.600 -0.002 0.000 1.058 265 K CA -0.237 56.046 56.287 -0.008 0.000 1.086 265 K CB 0.234 32.733 32.500 -0.002 0.000 0.827 265 K HN 0.684 nan 8.250 nan 0.000 0.481 266 D N -3.155 117.243 120.400 -0.003 0.000 2.664 266 D HA 0.160 4.897 4.640 0.162 0.000 0.292 266 D C 0.675 176.974 176.300 -0.002 0.000 1.214 266 D CA -0.868 53.133 54.000 0.001 0.000 0.932 266 D CB 0.373 41.179 40.800 0.009 0.000 1.420 266 D HN -0.132 nan 8.370 nan 0.000 0.471 267 G N -1.731 107.070 108.800 0.001 0.000 2.920 267 G HA2 0.231 4.288 3.960 0.162 0.000 0.208 267 G HA3 0.231 4.288 3.960 0.162 0.000 0.208 267 G C 0.652 175.552 174.900 0.001 0.000 1.159 267 G CA 1.203 46.303 45.100 -0.001 0.000 0.784 267 G HN 0.711 nan 8.290 nan 0.000 0.535 268 T N -3.302 111.254 114.554 0.003 0.000 2.206 268 T HA 0.116 4.563 4.350 0.162 0.000 0.168 268 T C 2.098 176.801 174.700 0.005 0.000 0.753 268 T CA 1.257 63.361 62.100 0.007 0.000 1.041 268 T CB 0.051 68.928 68.868 0.014 0.000 2.919 268 T HN 0.045 nan 8.240 nan 0.000 0.392 269 T N -1.712 112.851 114.554 0.015 0.000 3.057 269 T HA 0.464 4.911 4.350 0.162 0.000 0.254 269 T C 1.880 176.580 174.700 0.000 0.000 1.094 269 T CA 0.998 63.108 62.100 0.017 0.000 1.088 269 T CB -0.324 68.571 68.868 0.046 0.000 0.934 269 T HN 1.696 nan 8.240 nan 0.000 0.497 270 G N 1.339 110.141 108.800 0.003 0.000 2.195 270 G HA2 -0.213 3.844 3.960 0.162 0.000 0.246 270 G HA3 -0.213 3.844 3.960 0.162 0.000 0.246 270 G C 0.548 175.457 174.900 0.015 0.000 0.984 270 G CA 0.229 45.328 45.100 -0.001 0.000 0.633 270 G HN 0.554 nan 8.290 nan 0.000 0.525 271 L N 0.498 121.740 121.223 0.031 0.000 2.700 271 L HA 0.327 4.764 4.340 0.162 0.000 0.234 271 L C 2.146 179.048 176.870 0.054 0.000 1.156 271 L CA 0.149 55.016 54.840 0.045 0.000 0.946 271 L CB 0.032 42.135 42.059 0.073 0.000 1.216 271 L HN 0.278 nan 8.230 nan 0.000 0.493 272 E N 0.390 120.616 120.200 0.044 0.000 2.077 272 E HA -0.291 4.156 4.350 0.162 0.000 0.193 272 E C 1.887 178.515 176.600 0.047 0.000 0.989 272 E CA 1.239 57.666 56.400 0.045 0.000 0.800 272 E CB 0.084 29.803 29.700 0.033 0.000 0.746 272 E HN 0.504 nan 8.360 nan 0.000 0.452 273 Q N 0.643 120.467 119.800 0.041 0.000 2.046 273 Q HA -0.178 4.259 4.340 0.162 0.000 0.200 273 Q C 2.336 178.362 176.000 0.044 0.000 0.975 273 Q CA 0.885 56.715 55.803 0.046 0.000 0.836 273 Q CB -0.031 28.737 28.738 0.049 0.000 0.896 273 Q HN 0.184 nan 8.270 nan 0.000 0.428 274 L N 1.278 122.513 121.223 0.019 0.000 2.012 274 L HA -0.198 4.239 4.340 0.162 0.000 0.210 274 L C 1.826 178.716 176.870 0.033 0.000 1.073 274 L CA 2.011 56.838 54.840 -0.022 0.000 0.748 274 L CB -0.311 41.695 42.059 -0.088 0.000 0.891 274 L HN 0.255 nan 8.230 nan 0.000 0.431 275 E N -1.091 119.153 120.200 0.073 0.000 2.152 275 E HA -0.192 4.255 4.350 0.162 0.000 0.192 275 E C 2.343 179.011 176.600 0.113 0.000 0.983 275 E CA 1.021 57.506 56.400 0.141 0.000 0.818 275 E CB -0.149 29.675 29.700 0.206 0.000 0.758 275 E HN 0.592 nan 8.360 nan 0.000 0.467 276 R N 1.540 122.088 120.500 0.079 0.000 2.090 276 R HA -0.075 4.362 4.340 0.162 0.000 0.228 276 R C 1.578 177.915 176.300 0.061 0.000 1.110 276 R CA 1.516 57.654 56.100 0.063 0.000 0.973 276 R CB -0.849 29.482 30.300 0.051 0.000 0.869 276 R HN 0.205 nan 8.270 nan 0.000 0.440 277 E N -0.271 119.969 120.200 0.067 0.000 2.465 277 E HA 0.146 4.593 4.350 0.162 0.000 0.195 277 E C -0.595 176.037 176.600 0.053 0.000 1.028 277 E CA -0.578 55.864 56.400 0.070 0.000 0.899 277 E CB 0.279 30.041 29.700 0.105 0.000 1.032 277 E HN 0.302 nan 8.360 nan 0.000 0.468 278 L N 2.486 123.736 121.223 0.045 0.000 2.433 278 L HA 0.116 4.553 4.340 0.162 0.000 0.275 278 L C -0.004 176.849 176.870 -0.029 0.000 1.128 278 L CA 0.658 55.500 54.840 0.003 0.000 0.875 278 L CB 0.396 42.472 42.059 0.029 0.000 1.171 278 L HN -0.029 nan 8.230 nan 0.000 0.463 279 T N 1.042 115.525 114.554 -0.118 0.000 2.903 279 T HA 0.236 4.683 4.350 0.162 0.000 0.299 279 T C 0.502 175.112 174.700 -0.150 0.000 1.093 279 T CA -0.529 61.511 62.100 -0.099 0.000 1.002 279 T CB 0.650 69.457 68.868 -0.101 0.000 1.127 279 T HN 0.427 nan 8.240 nan 0.000 0.488 280 Y N 0.949 121.131 120.300 -0.196 0.000 2.293 280 Y HA 0.054 4.709 4.550 0.175 0.000 0.291 280 Y C 2.358 178.112 175.900 -0.243 0.000 1.137 280 Y CA 1.900 59.874 58.100 -0.210 0.000 1.202 280 Y CB -0.082 38.277 38.460 -0.168 0.000 0.990 280 Y HN 0.950 nan 8.280 nan 0.000 0.537 281 E N -0.006 120.033 120.200 -0.268 0.000 2.058 281 E HA -0.275 4.172 4.350 0.162 0.000 0.194 281 E C 2.329 178.640 176.600 -0.482 0.000 0.997 281 E CA 1.529 57.734 56.400 -0.326 0.000 0.801 281 E CB -0.084 29.510 29.700 -0.177 0.000 0.746 281 E HN 0.461 nan 8.360 nan 0.000 0.450 282 R N -0.077 120.081 120.500 -0.570 0.000 2.073 282 R HA -0.157 4.280 4.340 0.162 0.000 0.234 282 R C 2.588 178.019 176.300 -1.448 0.000 1.134 282 R CA 1.243 56.737 56.100 -1.010 0.000 0.952 282 R CB -0.455 29.206 30.300 -1.065 0.000 0.850 282 R HN 0.211 nan 8.270 nan 0.000 0.433 283 L N 0.827 121.426 121.223 -1.040 0.000 2.083 283 L HA -0.153 4.285 4.340 0.162 0.000 0.209 283 L C 2.004 178.549 176.870 -0.540 0.000 1.083 283 L CA 1.774 56.216 54.840 -0.663 0.000 0.752 283 L CB -0.344 41.512 42.059 -0.339 0.000 0.899 283 L HN 0.035 nan 8.230 nan 0.000 0.433 284 S N -0.491 114.759 115.700 -0.750 0.000 2.368 284 S HA -0.175 4.392 4.470 0.162 0.000 0.224 284 S C 2.137 176.533 174.600 -0.339 0.000 1.029 284 S CA 1.274 59.102 58.200 -0.620 0.000 0.988 284 S CB -0.627 62.110 63.200 -0.772 0.000 0.838 284 S HN 0.708 nan 8.310 nan 0.000 0.462 285 E N 1.084 121.072 120.200 -0.353 0.000 2.077 285 E HA -0.167 4.280 4.350 0.162 0.000 0.193 285 E C 1.667 178.288 176.600 0.035 0.000 0.989 285 E CA 1.550 57.849 56.400 -0.168 0.000 0.800 285 E CB -1.105 28.480 29.700 -0.190 0.000 0.746 285 E HN 0.704 nan 8.360 nan 0.000 0.452 286 W N 0.345 121.619 121.300 -0.043 0.000 2.379 286 W HA 0.212 4.967 4.660 0.158 0.000 0.307 286 W C 2.789 179.314 176.519 0.011 0.000 1.200 286 W CA 0.839 58.199 57.345 0.025 0.000 1.297 286 W CB -1.150 28.367 29.460 0.095 0.000 1.140 286 W HN 0.460 nan 8.180 nan 0.000 0.507 287 A N -0.196 122.705 122.820 0.134 0.000 2.070 287 A HA -0.137 4.280 4.320 0.162 0.000 0.220 287 A C 0.806 178.436 177.584 0.077 0.000 1.159 287 A CA 1.690 53.713 52.037 -0.024 0.000 0.656 287 A CB -0.483 18.292 19.000 -0.375 0.000 0.800 287 A HN 0.107 nan 8.150 nan 0.000 0.453 288 D N -0.522 119.915 120.400 0.062 0.000 2.945 288 D HA 0.190 4.928 4.640 0.162 0.000 0.366 288 D C -0.535 175.813 176.300 0.079 0.000 1.352 288 D CA 0.038 54.085 54.000 0.079 0.000 0.810 288 D CB 0.447 41.270 40.800 0.038 0.000 1.170 288 D HN 0.179 nan 8.370 nan 0.000 0.461 289 S N -0.133 115.634 115.700 0.113 0.000 2.584 289 S HA 0.068 4.635 4.470 0.162 0.000 0.273 289 S C 1.530 176.176 174.600 0.077 0.000 1.311 289 S CA -0.293 57.968 58.200 0.103 0.000 1.034 289 S CB 1.379 64.663 63.200 0.141 0.000 0.939 289 S HN -0.021 nan 8.310 nan 0.000 0.513 290 K N 3.669 124.103 120.400 0.057 0.000 2.288 290 K HA 0.080 4.497 4.320 0.162 0.000 0.201 290 K C 1.984 178.604 176.600 0.033 0.000 1.048 290 K CA 1.314 57.626 56.287 0.041 0.000 0.956 290 K CB -0.498 32.021 32.500 0.031 0.000 0.746 290 K HN 0.769 nan 8.250 nan 0.000 0.461 291 M N -0.353 119.267 119.600 0.035 0.000 2.394 291 M HA 0.154 4.731 4.480 0.162 0.000 0.264 291 M C 1.459 177.766 176.300 0.013 0.000 1.073 291 M CA 0.829 56.138 55.300 0.015 0.000 1.111 291 M CB -0.197 32.405 32.600 0.004 0.000 1.401 291 M HN 0.179 nan 8.290 nan 0.000 0.448 292 M N 2.688 122.313 119.600 0.040 0.000 3.254 292 M HA 0.053 4.630 4.480 0.162 0.000 0.257 292 M C -0.053 176.273 176.300 0.043 0.000 1.490 292 M CA 0.142 55.472 55.300 0.051 0.000 1.620 292 M CB -0.288 32.376 32.600 0.106 0.000 1.157 292 M HN 0.075 nan 8.290 nan 0.000 0.541 293 T N -0.417 114.149 114.554 0.019 0.000 2.944 293 T HA 0.403 4.850 4.350 0.162 0.000 0.284 293 T C 0.007 174.710 174.700 0.005 0.000 1.010 293 T CA -1.108 60.999 62.100 0.011 0.000 1.025 293 T CB 1.230 70.098 68.868 -0.000 0.000 1.079 293 T HN 0.385 nan 8.240 nan 0.000 0.516 294 E N 1.804 122.000 120.200 -0.007 0.000 2.415 294 E HA 0.248 4.695 4.350 0.162 0.000 0.260 294 E C -0.415 176.168 176.600 -0.029 0.000 1.016 294 E CA 0.341 56.726 56.400 -0.025 0.000 0.924 294 E CB 0.527 30.198 29.700 -0.048 0.000 0.961 294 E HN 0.665 nan 8.360 nan 0.000 0.459 295 T N 2.807 117.347 114.554 -0.023 0.000 2.916 295 T HA 0.244 4.691 4.350 0.162 0.000 0.298 295 T C -0.291 174.395 174.700 -0.022 0.000 1.031 295 T CA -0.762 61.327 62.100 -0.018 0.000 0.993 295 T CB 1.395 70.261 68.868 -0.002 0.000 1.045 295 T HN 0.232 nan 8.240 nan 0.000 0.454 296 L N 4.348 125.551 121.223 -0.034 0.000 2.418 296 L HA 0.566 5.003 4.340 0.162 0.000 0.274 296 L C -0.866 176.005 176.870 0.002 0.000 1.135 296 L CA 0.355 55.172 54.840 -0.038 0.000 0.870 296 L CB 0.097 42.130 42.059 -0.043 0.000 1.154 296 L HN 0.492 nan 8.230 nan 0.000 0.462 297 V N 4.382 124.311 119.914 0.025 0.000 2.789 297 V HA 0.342 4.559 4.120 0.162 0.000 0.311 297 V C -0.795 175.330 176.094 0.051 0.000 1.073 297 V CA -0.897 61.438 62.300 0.058 0.000 0.921 297 V CB 2.118 34.000 31.823 0.099 0.000 1.009 297 V HN 0.591 nan 8.190 nan 0.000 0.426 298 D N 3.763 124.220 120.400 0.096 0.000 2.453 298 D HA 0.248 4.985 4.640 0.162 0.000 0.223 298 D C -0.406 176.001 176.300 0.178 0.000 1.183 298 D CA -0.115 53.987 54.000 0.171 0.000 0.933 298 D CB 1.407 42.398 40.800 0.319 0.000 1.038 298 D HN 0.248 nan 8.370 nan 0.000 0.513 299 L N 4.149 125.374 121.223 0.003 0.000 2.278 299 L HA 0.203 4.640 4.340 0.162 0.000 0.287 299 L C -0.838 176.058 176.870 0.044 0.000 1.072 299 L CA -0.288 54.565 54.840 0.022 0.000 0.819 299 L CB 0.437 42.432 42.059 -0.107 0.000 1.176 299 L HN 0.218 nan 8.230 nan 0.000 0.435 300 H N 5.181 124.355 119.070 0.173 0.000 2.511 300 H HA 0.672 5.325 4.556 0.161 0.000 0.328 300 H C -1.038 174.333 175.328 0.072 0.000 1.044 300 H CA -0.407 55.746 56.048 0.176 0.000 1.212 300 H CB 1.600 31.451 29.762 0.149 0.000 1.428 300 H HN 0.554 nan 8.280 nan 0.000 0.483 301 L N 5.654 126.918 121.223 0.069 0.000 2.438 301 L HA 0.510 4.947 4.340 0.162 0.000 0.270 301 L C -2.788 174.054 176.870 -0.046 0.000 0.972 301 L CA -2.186 52.641 54.840 -0.022 0.000 0.831 301 L CB 1.928 43.891 42.059 -0.159 0.000 1.273 301 L HN 0.393 nan 8.230 nan 0.000 0.405 302 P HA 0.105 nan 4.420 nan 0.000 0.268 302 P C -1.447 175.917 177.300 0.107 0.000 1.205 302 P CA -0.255 62.880 63.100 0.058 0.000 0.771 302 P CB 0.395 32.087 31.700 -0.015 0.000 0.858 303 K N 4.248 124.664 120.400 0.028 0.000 2.310 303 K HA 0.348 4.765 4.320 0.162 0.000 0.290 303 K C -0.780 175.862 176.600 0.070 0.000 1.077 303 K CA -0.215 56.070 56.287 -0.003 0.000 0.922 303 K CB -0.432 32.045 32.500 -0.039 0.000 1.057 303 K HN 0.448 nan 8.250 nan 0.000 0.479 304 F N 0.189 120.060 119.950 -0.132 0.000 2.662 304 F HA 0.613 5.230 4.527 0.150 0.000 0.312 304 F C -1.197 174.486 175.800 -0.196 0.000 1.113 304 F CA -0.995 56.906 58.000 -0.165 0.000 0.951 304 F CB 1.784 40.662 39.000 -0.203 0.000 1.344 304 F HN 0.250 nan 8.300 nan 0.000 0.462 305 S N 1.932 117.561 115.700 -0.118 0.000 2.546 305 S HA 0.807 5.374 4.470 0.162 0.000 0.272 305 S C -1.770 172.743 174.600 -0.144 0.000 1.140 305 S CA -0.628 57.384 58.200 -0.314 0.000 0.920 305 S CB 1.211 64.246 63.200 -0.276 0.000 1.083 305 S HN 0.785 nan 8.310 nan 0.000 0.476 306 L N 3.254 124.304 121.223 -0.288 0.000 2.386 306 L HA 0.669 5.106 4.340 0.162 0.000 0.271 306 L C -0.427 176.368 176.870 -0.125 0.000 0.993 306 L CA -0.613 54.139 54.840 -0.147 0.000 0.819 306 L CB 2.186 44.169 42.059 -0.126 0.000 1.294 306 L HN 0.635 nan 8.230 nan 0.000 0.414 307 E N 1.554 121.790 120.200 0.059 0.000 2.266 307 E HA 0.551 4.998 4.350 0.162 0.000 0.268 307 E C -1.607 175.106 176.600 0.189 0.000 0.879 307 E CA -0.712 55.796 56.400 0.179 0.000 0.762 307 E CB 2.889 32.716 29.700 0.210 0.000 1.199 307 E HN 0.373 nan 8.360 nan 0.000 0.422 308 D N 0.819 121.355 120.400 0.227 0.000 2.599 308 D HA 0.405 5.143 4.640 0.162 0.000 0.252 308 D C -1.560 174.840 176.300 0.166 0.000 1.232 308 D CA -0.572 53.548 54.000 0.199 0.000 0.819 308 D CB 1.969 42.919 40.800 0.250 0.000 1.401 308 D HN 0.300 nan 8.370 nan 0.000 0.429 309 R N 1.666 122.249 120.500 0.137 0.000 2.566 309 R HA 0.732 5.169 4.340 0.162 0.000 0.271 309 R C -1.675 174.690 176.300 0.108 0.000 1.071 309 R CA -0.693 55.472 56.100 0.109 0.000 0.915 309 R CB 1.427 31.776 30.300 0.081 0.000 1.228 309 R HN 0.549 nan 8.270 nan 0.000 0.449 310 I N 1.990 122.631 120.570 0.118 0.000 2.775 310 I HA 0.248 4.515 4.170 0.162 0.000 0.295 310 I C -1.730 174.438 176.117 0.085 0.000 1.287 310 I CA -0.707 60.648 61.300 0.092 0.000 1.029 310 I CB 2.282 40.337 38.000 0.092 0.000 1.282 310 I HN 0.644 nan 8.210 nan 0.000 0.426 311 D N 6.866 127.293 120.400 0.045 0.000 2.339 311 D HA 0.267 5.004 4.640 0.162 0.000 0.241 311 D C 0.538 176.838 176.300 0.000 0.000 1.183 311 D CA 0.033 54.051 54.000 0.030 0.000 0.859 311 D CB 1.173 41.977 40.800 0.006 0.000 1.067 311 D HN 0.536 nan 8.370 nan 0.000 0.484 312 L N 3.870 125.103 121.223 0.018 0.000 2.599 312 L HA 0.100 4.537 4.340 0.162 0.000 0.230 312 L C 2.372 179.189 176.870 -0.088 0.000 1.141 312 L CA -0.090 54.739 54.840 -0.018 0.000 0.877 312 L CB -0.172 41.899 42.059 0.021 0.000 1.009 312 L HN 0.405 nan 8.230 nan 0.000 0.447 313 R N 0.824 121.227 120.500 -0.162 0.000 2.115 313 R HA -0.232 4.205 4.340 0.162 0.000 0.239 313 R C 1.643 177.629 176.300 -0.523 0.000 1.133 313 R CA 2.434 58.222 56.100 -0.521 0.000 0.935 313 R CB -0.111 29.905 30.300 -0.475 0.000 0.853 313 R HN 0.265 nan 8.270 nan 0.000 0.433 314 D N -0.520 119.698 120.400 -0.303 0.000 2.123 314 D HA -0.126 4.611 4.640 0.162 0.000 0.196 314 D C 1.882 178.076 176.300 -0.176 0.000 0.992 314 D CA 1.943 55.808 54.000 -0.225 0.000 0.833 314 D CB -0.527 40.186 40.800 -0.145 0.000 0.954 314 D HN 0.342 nan 8.370 nan 0.000 0.455 315 T N 0.944 115.411 114.554 -0.145 0.000 2.708 315 T HA -0.085 4.362 4.350 0.162 0.000 0.266 315 T C 2.226 176.874 174.700 -0.088 0.000 1.037 315 T CA 0.658 62.690 62.100 -0.114 0.000 1.146 315 T CB -0.341 68.456 68.868 -0.117 0.000 0.865 315 T HN 0.117 nan 8.240 nan 0.000 0.435 316 L N 0.250 121.431 121.223 -0.070 0.000 2.083 316 L HA -0.061 4.376 4.340 0.162 0.000 0.209 316 L C 2.908 179.792 176.870 0.024 0.000 1.083 316 L CA 1.282 56.141 54.840 0.032 0.000 0.752 316 L CB -0.469 41.692 42.059 0.170 0.000 0.899 316 L HN 0.151 nan 8.230 nan 0.000 0.433 317 R N 0.283 120.723 120.500 -0.099 0.000 2.083 317 R HA -0.165 4.272 4.340 0.162 0.000 0.237 317 R C 1.957 178.233 176.300 -0.040 0.000 1.137 317 R CA 1.966 58.026 56.100 -0.068 0.000 0.951 317 R CB -0.516 29.677 30.300 -0.178 0.000 0.851 317 R HN 0.525 nan 8.270 nan 0.000 0.434 318 N N 0.015 118.677 118.700 -0.063 0.000 2.381 318 N HA -0.100 4.737 4.740 0.162 0.000 0.182 318 N C 1.461 176.951 175.510 -0.034 0.000 1.025 318 N CA 0.826 53.846 53.050 -0.050 0.000 0.888 318 N CB 0.038 38.487 38.487 -0.064 0.000 0.965 318 N HN 0.197 nan 8.380 nan 0.000 0.438 319 M N -0.913 118.674 119.600 -0.022 0.000 2.541 319 M HA 0.135 4.712 4.480 0.162 0.000 0.252 319 M C 1.093 177.390 176.300 -0.006 0.000 1.125 319 M CA 0.466 55.761 55.300 -0.008 0.000 1.091 319 M CB 0.707 33.316 32.600 0.015 0.000 1.420 319 M HN 0.318 nan 8.290 nan 0.000 0.486 320 G N 0.750 109.550 108.800 -0.000 0.000 2.205 320 G HA2 -0.182 3.875 3.960 0.162 0.000 0.180 320 G HA3 -0.182 3.875 3.960 0.162 0.000 0.180 320 G C 0.156 175.062 174.900 0.009 0.000 1.004 320 G CA -0.426 44.670 45.100 -0.007 0.000 0.670 320 G HN 0.405 nan 8.290 nan 0.000 0.496 321 M N 3.326 122.959 119.600 0.054 0.000 2.435 321 M HA 0.437 5.014 4.480 0.162 0.000 0.344 321 M C 1.501 177.937 176.300 0.226 0.000 1.329 321 M CA 0.767 56.128 55.300 0.103 0.000 1.320 321 M CB 0.227 32.913 32.600 0.143 0.000 1.309 321 M HN 0.320 nan 8.290 nan 0.000 0.451 322 T N -1.562 113.076 114.554 0.140 0.000 3.085 322 T HA 0.067 4.514 4.350 0.162 0.000 0.241 322 T C 1.437 176.230 174.700 0.154 0.000 0.988 322 T CA 0.773 62.978 62.100 0.174 0.000 1.117 322 T CB -0.144 68.767 68.868 0.071 0.000 0.978 322 T HN 0.510 nan 8.240 nan 0.000 0.454 323 T N 2.611 117.187 114.554 0.036 0.000 2.833 323 T HA 0.108 4.556 4.350 0.162 0.000 0.269 323 T C 2.350 177.014 174.700 -0.061 0.000 1.054 323 T CA 1.240 63.327 62.100 -0.021 0.000 1.135 323 T CB -0.746 68.075 68.868 -0.078 0.000 0.869 323 T HN 0.568 nan 8.240 nan 0.000 0.466 324 A N 0.680 123.418 122.820 -0.136 0.000 2.070 324 A HA 0.029 4.446 4.320 0.162 0.000 0.220 324 A C 1.566 179.001 177.584 -0.250 0.000 1.159 324 A CA 1.069 52.970 52.037 -0.227 0.000 0.656 324 A CB -0.826 17.977 19.000 -0.329 0.000 0.800 324 A HN 0.575 nan 8.150 nan 0.000 0.453 325 F N 0.285 120.266 119.950 0.052 0.000 2.693 325 F HA 0.137 4.757 4.527 0.156 0.000 0.303 325 F C 1.386 177.197 175.800 0.018 0.000 1.097 325 F CA 0.510 58.530 58.000 0.034 0.000 1.330 325 F CB 0.099 39.105 39.000 0.011 0.000 1.067 325 F HN 0.183 nan 8.300 nan 0.000 0.565 326 T N -4.059 110.574 114.554 0.131 0.000 2.938 326 T HA 0.215 4.662 4.350 0.162 0.000 0.285 326 T C 1.280 176.007 174.700 0.045 0.000 1.028 326 T CA -0.083 62.065 62.100 0.079 0.000 1.005 326 T CB 1.451 70.350 68.868 0.051 0.000 1.157 326 T HN 0.068 nan 8.240 nan 0.000 0.550 327 T N -0.984 113.589 114.554 0.031 0.000 3.163 327 T HA -0.001 4.446 4.350 0.162 0.000 0.260 327 T C 0.986 175.690 174.700 0.007 0.000 1.156 327 T CA 0.360 62.472 62.100 0.020 0.000 1.072 327 T CB -0.542 68.335 68.868 0.015 0.000 0.937 327 T HN 0.589 nan 8.240 nan 0.000 0.528 328 N N 1.505 120.203 118.700 -0.003 0.000 2.280 328 N HA 0.324 5.162 4.740 0.162 0.000 0.192 328 N C 0.636 176.111 175.510 -0.058 0.000 1.109 328 N CA 0.149 53.184 53.050 -0.025 0.000 0.855 328 N CB 0.269 38.741 38.487 -0.025 0.000 0.974 328 N HN 0.598 nan 8.380 nan 0.000 0.482 329 A N 0.944 123.732 122.820 -0.054 0.000 2.531 329 A HA 0.051 4.468 4.320 0.162 0.000 0.236 329 A C 0.029 177.507 177.584 -0.177 0.000 1.062 329 A CA 0.375 52.331 52.037 -0.135 0.000 0.760 329 A CB 0.187 19.183 19.000 -0.006 0.000 0.995 329 A HN 0.054 nan 8.150 nan 0.000 0.501 330 D N 1.507 121.672 120.400 -0.391 0.000 2.469 330 D HA 0.466 5.204 4.640 0.162 0.000 0.251 330 D C -1.260 174.719 176.300 -0.535 0.000 1.173 330 D CA -0.202 53.611 54.000 -0.312 0.000 0.882 330 D CB 0.283 40.950 40.800 -0.220 0.000 1.129 330 D HN 0.303 nan 8.370 nan 0.000 0.549 331 F N 2.355 122.248 119.950 -0.096 0.000 2.928 331 F HA 0.316 4.939 4.527 0.160 0.000 0.337 331 F C 1.781 177.504 175.800 -0.128 0.000 1.259 331 F CA -0.465 57.455 58.000 -0.134 0.000 1.267 331 F CB 0.610 39.511 39.000 -0.166 0.000 0.986 331 F HN 0.127 nan 8.300 nan 0.000 0.507 332 R N -0.067 120.432 120.500 -0.001 0.000 2.323 332 R HA 0.026 4.463 4.340 0.162 0.000 0.198 332 R C 2.225 178.511 176.300 -0.024 0.000 0.988 332 R CA 0.519 56.615 56.100 -0.007 0.000 1.041 332 R CB -0.194 30.096 30.300 -0.018 0.000 0.926 332 R HN 0.521 nan 8.270 nan 0.000 0.476 333 G N 1.315 110.089 108.800 -0.043 0.000 2.484 333 G HA2 -0.211 3.846 3.960 0.162 0.000 0.218 333 G HA3 -0.211 3.846 3.960 0.162 0.000 0.218 333 G C 1.359 176.197 174.900 -0.103 0.000 1.130 333 G CA 0.447 45.519 45.100 -0.048 0.000 0.784 333 G HN 0.381 nan 8.290 nan 0.000 0.543 334 M N -1.571 117.893 119.600 -0.227 0.000 2.306 334 M HA 0.445 5.023 4.480 0.162 0.000 0.292 334 M C 0.256 176.513 176.300 -0.072 0.000 1.018 334 M CA 0.016 55.113 55.300 -0.339 0.000 1.007 334 M CB 1.091 33.154 32.600 -0.895 0.000 1.510 334 M HN -0.054 nan 8.290 nan 0.000 0.537 335 T N -0.995 113.551 114.554 -0.013 0.000 2.786 335 T HA 0.270 4.718 4.350 0.162 0.000 0.316 335 T C -1.097 173.609 174.700 0.011 0.000 1.503 335 T CA -0.501 61.619 62.100 0.032 0.000 1.019 335 T CB 1.787 70.743 68.868 0.148 0.000 1.415 335 T HN 0.137 nan 8.240 nan 0.000 0.496 336 D N 1.051 121.443 120.400 -0.012 0.000 2.350 336 D HA 0.251 4.988 4.640 0.162 0.000 0.213 336 D C 0.673 176.969 176.300 -0.007 0.000 1.031 336 D CA 0.578 54.569 54.000 -0.015 0.000 0.861 336 D CB 0.413 41.195 40.800 -0.030 0.000 0.926 336 D HN 0.711 nan 8.370 nan 0.000 0.520 337 K N 0.822 121.227 120.400 0.008 0.000 2.164 337 K HA 0.341 4.758 4.320 0.162 0.000 0.258 337 K C 0.062 176.698 176.600 0.060 0.000 0.951 337 K CA -0.744 55.559 56.287 0.027 0.000 0.844 337 K CB 0.994 33.509 32.500 0.025 0.000 1.099 337 K HN -0.121 nan 8.250 nan 0.000 0.435 338 K N 2.407 122.832 120.400 0.041 0.000 2.758 338 K HA 0.067 4.484 4.320 0.162 0.000 0.250 338 K C -0.712 175.919 176.600 0.053 0.000 1.268 338 K CA 0.107 56.418 56.287 0.040 0.000 1.228 338 K CB -0.035 32.471 32.500 0.010 0.000 1.715 338 K HN 0.783 nan 8.250 nan 0.000 0.334 339 D N 1.420 121.871 120.400 0.086 0.000 2.599 339 D HA 0.095 4.832 4.640 0.162 0.000 0.249 339 D C -0.239 176.096 176.300 0.058 0.000 1.313 339 D CA -0.267 53.781 54.000 0.079 0.000 0.815 339 D CB 0.022 40.886 40.800 0.106 0.000 1.077 339 D HN 0.177 nan 8.370 nan 0.000 0.492 340 L N 0.429 121.690 121.223 0.063 0.000 2.386 340 L HA 0.877 5.315 4.340 0.162 0.000 0.271 340 L C -0.592 176.334 176.870 0.093 0.000 0.993 340 L CA -1.023 53.819 54.840 0.002 0.000 0.819 340 L CB 2.149 44.168 42.059 -0.067 0.000 1.294 340 L HN 0.111 nan 8.230 nan 0.000 0.414 341 A N 2.968 125.789 122.820 0.003 0.000 2.587 341 A HA 0.742 5.159 4.320 0.162 0.000 0.293 341 A C -0.979 176.559 177.584 -0.078 0.000 1.087 341 A CA -0.581 51.492 52.037 0.060 0.000 0.692 341 A CB 1.339 20.376 19.000 0.062 0.000 1.291 341 A HN 0.614 nan 8.150 nan 0.000 0.407 342 I N 2.186 122.694 120.570 -0.103 0.000 2.471 342 I HA 0.125 4.392 4.170 0.162 0.000 0.286 342 I C 1.545 177.708 176.117 0.076 0.000 1.079 342 I CA 0.320 61.526 61.300 -0.155 0.000 1.398 342 I CB 1.435 39.198 38.000 -0.395 0.000 1.403 342 I HN 0.854 nan 8.210 nan 0.000 0.530 343 S N 5.547 121.276 115.700 0.049 0.000 2.412 343 S HA 0.198 4.765 4.470 0.162 0.000 0.223 343 S C 0.595 175.273 174.600 0.130 0.000 1.048 343 S CA 0.105 58.355 58.200 0.084 0.000 0.954 343 S CB 0.272 63.465 63.200 -0.012 0.000 0.840 343 S HN 0.607 nan 8.310 nan 0.000 0.503 344 K N 0.143 120.606 120.400 0.104 0.000 2.508 344 K HA 0.670 5.087 4.320 0.162 0.000 0.260 344 K C -1.997 174.681 176.600 0.130 0.000 0.949 344 K CA -0.774 55.575 56.287 0.102 0.000 0.834 344 K CB 2.752 35.273 32.500 0.035 0.000 1.365 344 K HN -0.022 nan 8.250 nan 0.000 0.437 345 V N 3.417 123.413 119.914 0.138 0.000 2.340 345 V HA 0.255 4.473 4.120 0.162 0.000 0.277 345 V C -0.576 175.585 176.094 0.113 0.000 1.017 345 V CA -0.827 61.551 62.300 0.130 0.000 0.820 345 V CB 0.858 32.787 31.823 0.177 0.000 1.028 345 V HN 0.598 nan 8.190 nan 0.000 0.436 346 I N 4.290 124.923 120.570 0.105 0.000 2.371 346 I HA 0.357 4.624 4.170 0.162 0.000 0.290 346 I C 0.215 176.441 176.117 0.180 0.000 1.028 346 I CA 0.161 61.530 61.300 0.114 0.000 1.345 346 I CB 0.513 38.560 38.000 0.079 0.000 1.407 346 I HN 0.589 nan 8.210 nan 0.000 0.501 347 H N 6.786 125.906 119.070 0.084 0.000 2.529 347 H HA 0.415 5.050 4.556 0.132 0.000 0.348 347 H C -1.317 174.088 175.328 0.128 0.000 1.079 347 H CA -0.501 55.613 56.048 0.110 0.000 1.198 347 H CB 2.152 31.979 29.762 0.107 0.000 1.521 347 H HN 0.664 nan 8.280 nan 0.000 0.514 348 Q N 3.502 123.078 119.800 -0.374 0.000 2.347 348 Q HA 0.422 4.859 4.340 0.162 0.000 0.271 348 Q C -1.525 174.341 176.000 -0.224 0.000 1.064 348 Q CA -0.791 54.908 55.803 -0.175 0.000 0.800 348 Q CB 1.918 30.644 28.738 -0.019 0.000 1.304 348 Q HN 0.755 nan 8.270 nan 0.000 0.438 349 S N 2.442 118.161 115.700 0.032 0.000 2.627 349 S HA 0.867 5.435 4.470 0.162 0.000 0.283 349 S C -1.201 173.670 174.600 0.452 0.000 1.127 349 S CA -0.696 57.651 58.200 0.244 0.000 0.863 349 S CB 1.768 65.164 63.200 0.327 0.000 1.121 349 S HN 0.612 nan 8.310 nan 0.000 0.479 350 F N 0.502 120.674 119.950 0.369 0.000 2.635 350 F HA 0.725 5.344 4.527 0.153 0.000 0.314 350 F C -1.834 174.031 175.800 0.109 0.000 1.119 350 F CA -0.590 57.523 58.000 0.188 0.000 1.000 350 F CB 1.502 40.568 39.000 0.110 0.000 1.278 350 F HN 0.787 nan 8.300 nan 0.000 0.446 351 V N 4.638 123.903 119.914 -1.082 0.000 2.932 351 V HA 0.945 5.163 4.120 0.162 0.000 0.307 351 V C -1.790 173.553 176.094 -1.251 0.000 1.147 351 V CA -0.004 61.661 62.300 -1.058 0.000 0.951 351 V CB 1.874 33.056 31.823 -1.067 0.000 1.031 351 V HN 1.418 nan 8.190 nan 0.000 0.426 352 A N 5.450 127.735 122.820 -0.892 0.000 2.375 352 A HA 0.830 5.247 4.320 0.162 0.000 0.295 352 A C -1.373 175.901 177.584 -0.516 0.000 1.066 352 A CA -0.474 51.174 52.037 -0.648 0.000 0.722 352 A CB 1.791 20.579 19.000 -0.353 0.000 1.206 352 A HN 1.101 nan 8.150 nan 0.000 0.435 353 V N 3.826 123.355 119.914 -0.643 0.000 2.417 353 V HA 0.599 4.816 4.120 0.162 0.000 0.291 353 V C -0.520 175.433 176.094 -0.235 0.000 1.024 353 V CA -0.315 61.721 62.300 -0.441 0.000 0.861 353 V CB 1.247 32.680 31.823 -0.649 0.000 0.985 353 V HN 1.095 nan 8.190 nan 0.000 0.436 354 D N 2.448 122.815 120.400 -0.056 0.000 2.798 354 D HA 0.314 5.051 4.640 0.162 0.000 0.308 354 D C 0.544 176.956 176.300 0.187 0.000 1.187 354 D CA -0.695 53.309 54.000 0.006 0.000 1.033 354 D CB 1.028 41.814 40.800 -0.023 0.000 1.445 354 D HN 0.175 nan 8.370 nan 0.000 0.550 355 E N -0.800 119.495 120.200 0.158 0.000 2.153 355 E HA -0.038 4.409 4.350 0.162 0.000 0.194 355 E C 1.983 178.871 176.600 0.479 0.000 0.988 355 E CA 2.661 59.253 56.400 0.319 0.000 0.811 355 E CB -0.355 29.473 29.700 0.214 0.000 0.746 355 E HN 0.557 nan 8.360 nan 0.000 0.466 356 K N 0.484 121.044 120.400 0.266 0.000 2.167 356 K HA 0.306 4.723 4.320 0.162 0.000 0.203 356 K C 1.216 177.844 176.600 0.047 0.000 1.052 356 K CA 1.402 57.798 56.287 0.182 0.000 0.956 356 K CB -0.155 32.381 32.500 0.059 0.000 0.735 356 K HN 0.300 nan 8.250 nan 0.000 0.451 357 G N -2.231 106.444 108.800 -0.209 0.000 2.566 357 G HA2 0.386 4.443 3.960 0.162 0.000 0.138 357 G HA3 0.386 4.443 3.960 0.162 0.000 0.138 357 G C -1.101 173.398 174.900 -0.667 0.000 1.133 357 G CA 0.286 44.851 45.100 -0.891 0.000 1.037 357 G HN 0.467 nan 8.290 nan 0.000 0.491 358 T N 0.464 114.663 114.554 -0.592 0.000 2.952 358 T HA 0.611 5.058 4.350 0.162 0.000 0.305 358 T C -1.355 173.035 174.700 -0.517 0.000 1.064 358 T CA -0.464 61.369 62.100 -0.444 0.000 1.008 358 T CB 2.427 71.136 68.868 -0.265 0.000 1.078 358 T HN 0.626 nan 8.240 nan 0.000 0.459 359 E N 1.305 121.300 120.200 -0.341 0.000 2.176 359 E HA 0.698 5.145 4.350 0.162 0.000 0.267 359 E C -1.290 175.248 176.600 -0.103 0.000 0.893 359 E CA -0.765 55.471 56.400 -0.274 0.000 0.761 359 E CB 1.082 30.762 29.700 -0.033 0.000 1.133 359 E HN 0.796 nan 8.360 nan 0.000 0.409 360 A N 2.832 125.622 122.820 -0.050 0.000 2.475 360 A HA 0.925 5.342 4.320 0.162 0.000 0.301 360 A C -1.426 176.291 177.584 0.222 0.000 1.059 360 A CA -0.118 52.028 52.037 0.181 0.000 0.710 360 A CB 1.883 21.056 19.000 0.288 0.000 1.288 360 A HN 0.692 nan 8.150 nan 0.000 0.408 361 A N -0.025 123.036 122.820 0.402 0.000 2.604 361 A HA 1.033 5.450 4.320 0.162 0.000 0.295 361 A C -0.600 177.193 177.584 0.348 0.000 1.067 361 A CA 0.072 52.328 52.037 0.365 0.000 0.683 361 A CB 1.054 20.296 19.000 0.404 0.000 1.281 361 A HN 2.741 nan 8.150 nan 0.000 0.407 362 A N -0.465 122.518 122.820 0.271 0.000 2.601 362 A HA 1.035 5.452 4.320 0.162 0.000 0.291 362 A C -0.668 177.020 177.584 0.173 0.000 1.075 362 A CA 0.071 52.219 52.037 0.185 0.000 0.671 362 A CB 0.784 19.916 19.000 0.221 0.000 1.277 362 A HN 2.700 nan 8.150 nan 0.000 0.417 363 A N 0.014 122.885 122.820 0.084 0.000 2.539 363 A HA 0.914 5.331 4.320 0.162 0.000 0.296 363 A C -0.640 177.048 177.584 0.174 0.000 1.073 363 A CA -0.361 51.772 52.037 0.159 0.000 0.700 363 A CB 1.606 20.697 19.000 0.151 0.000 1.296 363 A HN 1.264 nan 8.150 nan 0.000 0.405 364 T N 1.190 115.893 114.554 0.248 0.000 2.879 364 T HA 0.681 5.128 4.350 0.162 0.000 0.290 364 T C -0.485 174.321 174.700 0.176 0.000 0.993 364 T CA 0.104 62.357 62.100 0.256 0.000 0.975 364 T CB 1.573 70.604 68.868 0.273 0.000 0.981 364 T HN 1.477 nan 8.240 nan 0.000 0.439 365 A N 2.961 125.865 122.820 0.141 0.000 2.310 365 A HA 0.690 5.107 4.320 0.162 0.000 0.304 365 A C -0.304 177.316 177.584 0.060 0.000 1.231 365 A CA -0.625 51.471 52.037 0.099 0.000 0.799 365 A CB 0.638 19.690 19.000 0.087 0.000 1.162 365 A HN 0.694 nan 8.150 nan 0.000 0.486 366 V N 4.786 124.714 119.914 0.024 0.000 2.368 366 V HA 0.230 4.447 4.120 0.162 0.000 0.266 366 V C -0.008 176.044 176.094 -0.069 0.000 1.045 366 V CA 0.123 62.410 62.300 -0.023 0.000 0.899 366 V CB 0.456 32.237 31.823 -0.070 0.000 1.006 366 V HN 0.707 nan 8.190 nan 0.000 0.470 367 I N 6.672 127.200 120.570 -0.069 0.000 2.321 367 I HA 0.465 4.732 4.170 0.162 0.000 0.291 367 I C -0.293 175.719 176.117 -0.175 0.000 0.998 367 I CA -0.140 61.084 61.300 -0.127 0.000 1.227 367 I CB 1.200 39.137 38.000 -0.104 0.000 1.368 367 I HN 0.425 nan 8.210 nan 0.000 0.466 368 I N 5.977 126.394 120.570 -0.255 0.000 2.474 368 I HA 0.429 4.696 4.170 0.162 0.000 0.294 368 I C 0.095 176.032 176.117 -0.300 0.000 1.005 368 I CA -0.032 61.089 61.300 -0.299 0.000 1.113 368 I CB 1.985 39.743 38.000 -0.404 0.000 1.289 368 I HN 0.675 nan 8.210 nan 0.000 0.436 369 S N 0.000 115.560 115.700 -0.233 0.000 2.498 369 S HA 0.000 4.567 4.470 0.162 0.000 0.327 369 S CA 0.000 58.078 58.200 -0.204 0.000 1.107 369 S CB 0.000 63.105 63.200 -0.159 0.000 0.593 369 S HN 0.000 nan 8.310 nan 0.000 0.517