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 2qza_1_A DATA FIRST_RESID 166 DATA SEQUENCE SPSSPADWAK KLTDAVLRQK AGETLTAADR DFSNADFRNI TFSKILPPSF DATA SEQUENCE XERDGDIIKG FNFSNSKFTY SDISHLHFDE CRFTYSTLSD VVCSNTKFSN DATA SEQUENCE SDXNEVFLQY SITTQQQPSF IDTTLKNTLI RHKANLSGVI LNEPDNSSPP DATA SEQUENCE SVSGGGNFIR LGDIWLQXPL LWTENAVDGF LNHEHNNGKS ILXTIDSLPD DATA SEQUENCE KYSQEKVQAX EDLVKSLRGG RLTEACIRPV ESSLVSVLAH PPYTQSALIS DATA SEQUENCE EWLGPVQERF FAHQCQTYND VPLPAPDTYY QQRILPVLLD SFDRNSAAXT DATA SEQUENCE THSGLFNQVI LHCXTGVDCT DGTRQKAAAL YEQYLAHPAV SPHIHNGLFG DATA SEQUENCE NYDGSPDWTT RAADNFLLLS SQDSDTAXXL STDTLLTXLN PTPDTAWDNF DATA SEQUENCE YLLRAGENVS TAQISPVELF RHDFPVFLAA FNQQATQRRF GELIDIILST DATA SEQUENCE EEHGELNQQF LAATNQKHST VKLIDDASVS RLATIFDPLL PEGKLSPAHY DATA SEQUENCE QHILSAYHLT DATPQKQAET LFCLSTAFAR YSSSAIFGTE HDSPPALRGY DATA SEQUENCE AEALXQKAWE LSPAIFPSSE QFTEWSDRFH GLHGAFTCTS VVADSXQRHA DATA SEQUENCE RKYFPSVLSS ILPLAWA 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 166 S HA 0.000 nan 4.470 nan 0.000 0.327 166 S C 0.000 174.614 174.600 0.023 0.000 1.055 166 S CA 0.000 58.205 58.200 0.008 0.000 1.107 166 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 167 P HA 0.377 nan 4.420 nan 0.000 0.211 167 P C 0.250 177.538 177.300 -0.020 0.000 1.188 167 P CA 0.461 63.550 63.100 -0.019 0.000 0.904 167 P CB 0.071 31.735 31.700 -0.061 0.000 0.765 168 S N -2.089 113.610 115.700 -0.002 0.000 2.661 168 S HA 0.462 4.932 4.470 0.001 0.000 0.268 168 S C -0.735 173.922 174.600 0.095 0.000 1.162 168 S CA -0.142 58.059 58.200 0.002 0.000 0.817 168 S CB 0.879 64.035 63.200 -0.073 0.000 1.141 168 S HN 0.455 nan 8.310 nan 0.000 0.477 169 S N 0.891 116.642 115.700 0.086 0.000 2.634 169 S HA 0.434 4.905 4.470 0.001 0.000 0.261 169 S C -1.861 172.907 174.600 0.281 0.000 1.271 169 S CA -0.625 57.663 58.200 0.146 0.000 0.985 169 S CB 0.254 63.505 63.200 0.085 0.000 0.968 169 S HN 0.474 nan 8.310 nan 0.000 0.568 170 P HA -0.029 nan 4.420 nan 0.000 0.218 170 P C 1.416 178.883 177.300 0.278 0.000 1.148 170 P CA 1.815 65.109 63.100 0.323 0.000 0.822 170 P CB -0.306 31.477 31.700 0.138 0.000 0.784 171 A N -0.378 122.535 122.820 0.155 0.000 1.986 171 A HA -0.280 4.040 4.320 0.001 0.000 0.220 171 A C 1.910 179.547 177.584 0.089 0.000 1.171 171 A CA 2.348 54.444 52.037 0.099 0.000 0.640 171 A CB -1.521 17.513 19.000 0.056 0.000 0.811 171 A HN 0.135 nan 8.150 nan 0.000 0.451 172 D N -1.258 119.173 120.400 0.052 0.000 2.077 172 D HA -0.157 4.483 4.640 0.001 0.000 0.193 172 D C 1.673 177.974 176.300 0.002 0.000 0.989 172 D CA 1.632 55.587 54.000 -0.076 0.000 0.831 172 D CB -0.355 40.263 40.800 -0.304 0.000 0.979 172 D HN 0.712 nan 8.370 nan 0.000 0.449 173 W N 1.518 122.871 121.300 0.088 0.000 2.374 173 W HA 0.008 4.668 4.660 0.000 0.000 0.288 173 W C 2.459 179.238 176.519 0.434 0.000 1.218 173 W CA 0.886 58.365 57.345 0.223 0.000 1.245 173 W CB -0.720 28.721 29.460 -0.032 0.000 1.126 173 W HN -0.040 nan 8.180 nan 0.000 0.545 174 A N 1.373 124.518 122.820 0.542 0.000 1.865 174 A HA -0.226 4.095 4.320 0.001 0.000 0.217 174 A C 2.134 179.881 177.584 0.272 0.000 1.191 174 A CA 3.333 55.594 52.037 0.373 0.000 0.623 174 A CB -1.401 17.694 19.000 0.158 0.000 0.826 174 A HN 0.246 nan 8.150 nan 0.000 0.444 175 K N 0.169 120.686 120.400 0.195 0.000 2.063 175 K HA -0.149 4.171 4.320 0.001 0.000 0.208 175 K C 2.122 178.838 176.600 0.192 0.000 1.048 175 K CA 2.177 58.550 56.287 0.142 0.000 0.928 175 K CB -0.723 31.827 32.500 0.084 0.000 0.713 175 K HN 0.638 nan 8.250 nan 0.000 0.442 176 K N -0.482 120.073 120.400 0.258 0.000 2.032 176 K HA -0.108 4.213 4.320 0.001 0.000 0.209 176 K C 2.212 179.136 176.600 0.541 0.000 1.048 176 K CA 1.546 58.040 56.287 0.346 0.000 0.927 176 K CB -0.269 32.421 32.500 0.316 0.000 0.712 176 K HN 0.228 nan 8.250 nan 0.000 0.441 177 L N 1.169 122.743 121.223 0.584 0.000 2.017 177 L HA -0.178 4.162 4.340 0.001 0.000 0.208 177 L C 2.069 179.016 176.870 0.129 0.000 1.073 177 L CA 2.000 57.001 54.840 0.269 0.000 0.745 177 L CB -0.957 41.189 42.059 0.145 0.000 0.894 177 L HN 0.242 nan 8.230 nan 0.000 0.432 178 T N 0.006 114.632 114.554 0.120 0.000 2.565 178 T HA -0.259 4.092 4.350 0.001 0.000 0.265 178 T C 1.438 176.177 174.700 0.065 0.000 1.082 178 T CA 1.958 64.077 62.100 0.031 0.000 1.173 178 T CB -0.558 68.341 68.868 0.051 0.000 0.864 178 T HN 0.467 nan 8.240 nan 0.000 0.425 179 D N 1.567 122.045 120.400 0.129 0.000 2.084 179 D HA -0.040 4.600 4.640 0.001 0.000 0.194 179 D C 2.443 178.858 176.300 0.192 0.000 0.990 179 D CA 1.294 55.379 54.000 0.141 0.000 0.826 179 D CB -0.945 39.937 40.800 0.138 0.000 0.971 179 D HN 0.445 nan 8.370 nan 0.000 0.453 180 A N 1.014 124.004 122.820 0.283 0.000 1.915 180 A HA -0.231 4.090 4.320 0.001 0.000 0.220 180 A C 2.528 180.351 177.584 0.398 0.000 1.198 180 A CA 2.932 55.212 52.037 0.404 0.000 0.647 180 A CB -0.935 18.480 19.000 0.691 0.000 0.825 180 A HN 0.246 nan 8.150 nan 0.000 0.456 181 V N -2.490 117.596 119.914 0.287 0.000 2.649 181 V HA -0.027 4.093 4.120 0.001 0.000 0.248 181 V C 2.301 178.552 176.094 0.261 0.000 1.054 181 V CA 1.256 63.721 62.300 0.276 0.000 1.073 181 V CB -0.960 30.916 31.823 0.090 0.000 0.699 181 V HN 0.332 nan 8.190 nan 0.000 0.463 182 L N 0.139 121.462 121.223 0.167 0.000 2.187 182 L HA -0.100 4.240 4.340 0.001 0.000 0.213 182 L C 2.714 179.676 176.870 0.154 0.000 1.100 182 L CA 1.957 56.895 54.840 0.163 0.000 0.765 182 L CB -0.395 41.728 42.059 0.106 0.000 0.904 182 L HN 0.227 nan 8.230 nan 0.000 0.437 183 R N -1.946 118.648 120.500 0.157 0.000 2.128 183 R HA -0.040 4.301 4.340 0.001 0.000 0.211 183 R C 2.160 178.540 176.300 0.133 0.000 1.067 183 R CA 0.710 56.888 56.100 0.130 0.000 1.010 183 R CB -0.237 30.137 30.300 0.124 0.000 0.922 183 R HN 0.369 nan 8.270 nan 0.000 0.457 184 Q N 1.801 121.708 119.800 0.179 0.000 2.135 184 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 184 Q C 1.590 177.672 176.000 0.137 0.000 0.981 184 Q CA 2.144 58.048 55.803 0.168 0.000 0.856 184 Q CB 0.144 29.036 28.738 0.257 0.000 0.902 184 Q HN 0.222 nan 8.270 nan 0.000 0.425 185 K N -1.275 119.221 120.400 0.160 0.000 2.314 185 K HA 0.162 4.482 4.320 0.001 0.000 0.198 185 K C 1.515 178.160 176.600 0.075 0.000 1.045 185 K CA 0.961 57.312 56.287 0.107 0.000 0.988 185 K CB -0.061 32.517 32.500 0.129 0.000 0.783 185 K HN 0.123 nan 8.250 nan 0.000 0.484 186 A N 0.549 123.421 122.820 0.087 0.000 2.239 186 A HA 0.379 4.700 4.320 0.001 0.000 0.209 186 A C 1.685 179.298 177.584 0.049 0.000 1.171 186 A CA 0.713 52.788 52.037 0.064 0.000 0.768 186 A CB -0.736 18.306 19.000 0.069 0.000 0.790 186 A HN 0.638 nan 8.150 nan 0.000 0.478 187 G N -0.838 107.992 108.800 0.050 0.000 2.561 187 G HA2 -0.233 3.728 3.960 0.001 0.000 0.203 187 G HA3 -0.233 3.728 3.960 0.001 0.000 0.203 187 G C 0.188 175.109 174.900 0.036 0.000 1.101 187 G CA 0.111 45.232 45.100 0.036 0.000 0.711 187 G HN 0.620 nan 8.290 nan 0.000 0.511 188 E N 2.292 122.518 120.200 0.042 0.000 2.966 188 E HA 0.182 4.532 4.350 0.001 0.000 0.254 188 E C -0.276 176.344 176.600 0.033 0.000 0.923 188 E CA 0.807 57.230 56.400 0.038 0.000 0.960 188 E CB 0.034 29.763 29.700 0.048 0.000 0.901 188 E HN 0.265 nan 8.360 nan 0.000 0.525 189 T N 6.669 121.233 114.554 0.018 0.000 2.855 189 T HA 0.178 4.529 4.350 0.001 0.000 0.290 189 T C 0.469 175.167 174.700 -0.005 0.000 0.941 189 T CA -0.383 61.720 62.100 0.005 0.000 1.030 189 T CB -0.106 68.761 68.868 -0.001 0.000 0.935 189 T HN 0.385 nan 8.240 nan 0.000 0.564 190 L N 3.723 124.938 121.223 -0.013 0.000 2.559 190 L HA 0.060 4.400 4.340 0.001 0.000 0.282 190 L C 1.739 178.582 176.870 -0.045 0.000 1.232 190 L CA -0.253 54.571 54.840 -0.026 0.000 0.885 190 L CB 0.005 42.025 42.059 -0.065 0.000 1.131 190 L HN 0.660 nan 8.230 nan 0.000 0.498 191 T N 0.654 115.192 114.554 -0.028 0.000 2.855 191 T HA 0.141 4.491 4.350 0.001 0.000 0.322 191 T C 1.223 175.890 174.700 -0.055 0.000 1.088 191 T CA -0.058 62.023 62.100 -0.032 0.000 1.104 191 T CB 1.230 70.088 68.868 -0.017 0.000 0.996 191 T HN 0.687 nan 8.240 nan 0.000 0.549 192 A N 2.810 125.599 122.820 -0.052 0.000 1.877 192 A HA 0.187 4.507 4.320 0.001 0.000 0.216 192 A C 2.780 180.334 177.584 -0.050 0.000 1.186 192 A CA 1.960 53.959 52.037 -0.064 0.000 0.620 192 A CB -1.596 17.376 19.000 -0.047 0.000 0.822 192 A HN 1.402 nan 8.150 nan 0.000 0.443 193 A N -0.253 122.548 122.820 -0.032 0.000 1.917 193 A HA -0.249 4.071 4.320 0.001 0.000 0.219 193 A C 1.842 179.412 177.584 -0.023 0.000 1.182 193 A CA 2.032 54.054 52.037 -0.025 0.000 0.633 193 A CB -0.667 18.320 19.000 -0.022 0.000 0.819 193 A HN 0.474 nan 8.150 nan 0.000 0.448 194 D N -0.500 119.892 120.400 -0.013 0.000 2.178 194 D HA -0.125 4.515 4.640 0.001 0.000 0.201 194 D C 1.693 178.054 176.300 0.102 0.000 0.980 194 D CA 1.382 55.397 54.000 0.024 0.000 0.842 194 D CB -0.110 40.711 40.800 0.034 0.000 0.948 194 D HN 0.744 nan 8.370 nan 0.000 0.472 195 R N 0.414 120.926 120.500 0.020 0.000 2.694 195 R HA 0.164 4.504 4.340 0.001 0.000 0.334 195 R C -0.340 176.051 176.300 0.150 0.000 1.143 195 R CA -0.311 55.796 56.100 0.012 0.000 1.073 195 R CB 0.160 30.016 30.300 -0.740 0.000 1.366 195 R HN -0.189 nan 8.270 nan 0.000 0.577 196 D N 0.881 121.368 120.400 0.145 0.000 2.443 196 D HA 0.098 4.738 4.640 0.001 0.000 0.221 196 D C -0.992 175.401 176.300 0.155 0.000 1.097 196 D CA -0.609 53.462 54.000 0.118 0.000 0.865 196 D CB 0.466 41.281 40.800 0.025 0.000 1.034 196 D HN 0.176 nan 8.370 nan 0.000 0.511 197 F N 1.759 121.764 119.950 0.092 0.000 2.942 197 F HA 0.188 4.716 4.527 0.001 0.000 0.324 197 F C 0.843 176.737 175.800 0.158 0.000 1.265 197 F CA -0.541 57.607 58.000 0.248 0.000 1.255 197 F CB 0.321 39.567 39.000 0.409 0.000 1.048 197 F HN 0.042 nan 8.300 nan 0.000 0.512 198 S N 0.698 116.522 115.700 0.207 0.000 2.549 198 S HA 0.065 4.535 4.470 0.001 0.000 0.283 198 S C 0.632 175.260 174.600 0.045 0.000 1.320 198 S CA -0.148 58.131 58.200 0.132 0.000 1.058 198 S CB 0.067 63.329 63.200 0.104 0.000 0.882 198 S HN 0.638 nan 8.310 nan 0.000 0.498 199 N N -0.463 118.224 118.700 -0.023 0.000 2.776 199 N HA -0.172 4.568 4.740 0.001 0.000 0.250 199 N C -0.304 174.852 175.510 -0.589 0.000 1.112 199 N CA 0.846 53.798 53.050 -0.164 0.000 0.733 199 N CB -1.601 36.855 38.487 -0.052 0.000 1.097 199 N HN 0.798 nan 8.380 nan 0.000 0.558 200 A N 0.139 122.484 122.820 -0.791 0.000 2.451 200 A HA 0.317 4.637 4.320 0.001 0.000 0.266 200 A C 0.141 176.735 177.584 -1.650 0.000 1.119 200 A CA 0.011 50.965 52.037 -1.805 0.000 0.786 200 A CB 0.282 18.642 19.000 -1.067 0.000 1.061 200 A HN 0.237 nan 8.150 nan 0.000 0.503 201 D N 1.761 121.039 120.400 -1.871 0.000 2.317 201 D HA 0.405 5.046 4.640 0.001 0.000 0.252 201 D C -0.177 175.529 176.300 -0.991 0.000 1.174 201 D CA 0.386 53.788 54.000 -0.997 0.000 0.866 201 D CB 0.071 40.588 40.800 -0.472 0.000 1.127 201 D HN 0.433 nan 8.370 nan 0.000 0.467 202 F N 1.726 121.431 119.950 -0.408 0.000 2.798 202 F HA 0.267 4.795 4.527 0.001 0.000 0.328 202 F C 0.824 176.555 175.800 -0.115 0.000 1.098 202 F CA -0.751 57.085 58.000 -0.272 0.000 1.172 202 F CB 0.481 39.227 39.000 -0.424 0.000 1.072 202 F HN 0.001 nan 8.300 nan 0.000 0.555 203 R N 1.833 122.367 120.500 0.056 0.000 2.566 203 R HA -0.055 4.285 4.340 0.001 0.000 0.273 203 R C 0.793 177.176 176.300 0.138 0.000 0.981 203 R CA 0.713 56.877 56.100 0.107 0.000 1.091 203 R CB -0.365 29.986 30.300 0.086 0.000 0.924 203 R HN 0.207 nan 8.270 nan 0.000 0.411 204 N N 0.109 118.923 118.700 0.190 0.000 2.815 204 N HA -0.211 4.529 4.740 0.001 0.000 0.247 204 N C -0.660 174.886 175.510 0.061 0.000 1.030 204 N CA 0.869 54.011 53.050 0.153 0.000 0.881 204 N CB -0.626 37.940 38.487 0.133 0.000 1.134 204 N HN 0.347 nan 8.380 nan 0.000 0.582 205 I N 1.760 122.333 120.570 0.006 0.000 2.452 205 I HA 0.006 4.176 4.170 0.001 0.000 0.287 205 I C 1.367 177.346 176.117 -0.230 0.000 1.079 205 I CA 0.562 61.745 61.300 -0.195 0.000 1.387 205 I CB 0.549 38.294 38.000 -0.425 0.000 1.404 205 I HN -0.043 nan 8.210 nan 0.000 0.522 206 T N 6.840 121.299 114.554 -0.159 0.000 3.151 206 T HA 0.231 4.581 4.350 0.001 0.000 0.332 206 T C 1.205 175.859 174.700 -0.076 0.000 1.245 206 T CA -0.342 61.728 62.100 -0.051 0.000 1.019 206 T CB -0.444 68.430 68.868 0.010 0.000 1.109 206 T HN 0.301 nan 8.240 nan 0.000 0.621 207 F N 2.415 122.373 119.950 0.013 0.000 2.236 207 F HA -0.076 4.452 4.527 0.001 0.000 0.302 207 F C 2.827 178.608 175.800 -0.032 0.000 1.073 207 F CA 1.175 59.155 58.000 -0.034 0.000 1.336 207 F CB -0.547 38.408 39.000 -0.076 0.000 1.040 207 F HN 0.539 nan 8.300 nan 0.000 0.507 208 S N 0.188 115.983 115.700 0.157 0.000 2.402 208 S HA -0.254 4.216 4.470 0.001 0.000 0.233 208 S C 2.312 176.946 174.600 0.056 0.000 1.030 208 S CA 1.835 60.091 58.200 0.094 0.000 1.003 208 S CB -0.303 62.948 63.200 0.084 0.000 0.813 208 S HN 0.441 nan 8.310 nan 0.000 0.477 209 K N 0.437 120.859 120.400 0.037 0.000 2.361 209 K HA 0.271 4.591 4.320 0.001 0.000 0.196 209 K C 1.140 177.747 176.600 0.012 0.000 1.039 209 K CA 0.925 57.223 56.287 0.019 0.000 1.001 209 K CB -0.606 31.899 32.500 0.009 0.000 0.795 209 K HN 0.755 nan 8.250 nan 0.000 0.495 210 I N -2.890 117.685 120.570 0.009 0.000 3.491 210 I HA 0.497 4.667 4.170 0.001 0.000 0.332 210 I C -0.483 175.632 176.117 -0.003 0.000 1.565 210 I CA -0.524 60.778 61.300 0.003 0.000 1.050 210 I CB 0.380 38.373 38.000 -0.012 0.000 1.348 210 I HN -0.023 nan 8.210 nan 0.000 0.506 211 L N 1.363 122.581 121.223 -0.009 0.000 2.465 211 L HA 0.673 5.014 4.340 0.001 0.000 0.257 211 L C -2.478 174.398 176.870 0.009 0.000 0.988 211 L CA -1.646 53.142 54.840 -0.086 0.000 0.827 211 L CB 2.856 44.794 42.059 -0.202 0.000 1.397 211 L HN -0.065 nan 8.230 nan 0.000 0.410 212 P HA 0.212 nan 4.420 nan 0.000 0.275 212 P C -2.408 175.024 177.300 0.220 0.000 1.227 212 P CA -1.432 61.766 63.100 0.162 0.000 0.781 212 P CB 0.403 32.232 31.700 0.215 0.000 0.906 213 P HA -0.190 nan 4.420 nan 0.000 0.220 213 P C 1.480 178.821 177.300 0.067 0.000 1.144 213 P CA 1.562 64.707 63.100 0.077 0.000 0.800 213 P CB -0.356 31.363 31.700 0.033 0.000 0.772 214 S N -2.210 113.531 115.700 0.067 0.000 2.440 214 S HA -0.146 4.324 4.470 0.001 0.000 0.238 214 S C 0.784 175.298 174.600 -0.143 0.000 1.010 214 S CA 0.792 58.957 58.200 -0.058 0.000 0.972 214 S CB -1.204 61.921 63.200 -0.124 0.000 0.774 214 S HN -0.002 nan 8.310 nan 0.000 0.501 218 R N 1.617 122.086 120.500 -0.050 0.000 2.132 218 R HA -0.268 4.073 4.340 0.001 0.000 0.233 218 R C 1.806 178.080 176.300 -0.043 0.000 1.125 218 R CA 3.062 59.136 56.100 -0.043 0.000 0.914 218 R CB -2.087 28.190 30.300 -0.037 0.000 0.845 218 R HN 0.802 nan 8.270 nan 0.000 0.431 219 D N -1.023 119.351 120.400 -0.044 0.000 2.230 219 D HA -0.010 4.630 4.640 0.001 0.000 0.189 219 D C 0.968 177.237 176.300 -0.052 0.000 1.006 219 D CA 2.948 56.921 54.000 -0.045 0.000 0.853 219 D CB -0.565 40.206 40.800 -0.049 0.000 0.959 219 D HN 1.471 nan 8.370 nan 0.000 0.449 220 G N 0.246 108.999 108.800 -0.079 0.000 3.421 220 G HA2 -0.071 3.889 3.960 0.001 0.000 0.686 220 G HA3 -0.071 3.889 3.960 0.001 0.000 0.686 220 G C -1.224 173.560 174.900 -0.193 0.000 1.056 220 G CA -0.119 44.919 45.100 -0.102 0.000 0.891 220 G HN 0.288 nan 8.290 nan 0.000 0.514 221 D N 1.455 121.634 120.400 -0.367 0.000 2.225 221 D HA 0.585 5.225 4.640 0.001 0.000 0.248 221 D C 1.200 177.162 176.300 -0.562 0.000 1.096 221 D CA -0.263 53.348 54.000 -0.648 0.000 0.863 221 D CB 1.072 41.059 40.800 -1.354 0.000 1.156 221 D HN 0.383 nan 8.370 nan 0.000 0.450 222 I N 1.792 122.141 120.570 -0.368 0.000 2.793 222 I HA 0.368 4.538 4.170 0.001 0.000 0.313 222 I C 0.643 176.746 176.117 -0.023 0.000 0.998 222 I CA -0.802 60.349 61.300 -0.249 0.000 1.140 222 I CB 0.907 38.719 38.000 -0.312 0.000 1.327 222 I HN 0.250 nan 8.210 nan 0.000 0.491 223 I N 2.942 123.488 120.570 -0.040 0.000 2.442 223 I HA 0.225 4.395 4.170 0.001 0.000 0.279 223 I C 0.519 176.818 176.117 0.303 0.000 1.081 223 I CA -0.330 61.045 61.300 0.126 0.000 1.197 223 I CB 0.430 38.379 38.000 -0.085 0.000 1.394 223 I HN 0.674 nan 8.210 nan 0.000 0.488 224 K N 3.408 124.010 120.400 0.338 0.000 2.130 224 K HA 0.667 4.988 4.320 0.001 0.000 0.268 224 K C 1.008 177.761 176.600 0.255 0.000 0.983 224 K CA -0.129 56.307 56.287 0.248 0.000 0.893 224 K CB 1.228 33.792 32.500 0.107 0.000 1.066 224 K HN 0.897 nan 8.250 nan 0.000 0.450 225 G N 0.472 109.349 108.800 0.129 0.000 2.162 225 G HA2 -0.172 3.788 3.960 0.001 0.000 0.260 225 G HA3 -0.172 3.788 3.960 0.001 0.000 0.260 225 G C -0.055 174.719 174.900 -0.211 0.000 0.976 225 G CA 0.266 45.328 45.100 -0.062 0.000 0.655 225 G HN 0.640 nan 8.290 nan 0.000 0.533 226 F N 0.306 120.181 119.950 -0.124 0.000 2.375 226 F HA 0.589 5.116 4.527 0.001 0.000 0.333 226 F C 0.705 176.138 175.800 -0.611 0.000 1.104 226 F CA -0.892 56.875 58.000 -0.388 0.000 1.149 226 F CB 1.337 39.978 39.000 -0.598 0.000 1.190 226 F HN 0.028 nan 8.300 nan 0.000 0.533 227 N N 2.225 120.666 118.700 -0.431 0.000 2.706 227 N HA 0.272 5.013 4.740 0.001 0.000 0.240 227 N C -1.017 174.309 175.510 -0.307 0.000 1.039 227 N CA -0.348 52.506 53.050 -0.328 0.000 0.888 227 N CB -0.061 38.361 38.487 -0.108 0.000 1.128 227 N HN 0.382 nan 8.380 nan 0.000 0.512 228 F N 0.426 120.371 119.950 -0.008 0.000 2.798 228 F HA 0.327 4.855 4.527 0.001 0.000 0.291 228 F C 0.953 176.824 175.800 0.118 0.000 1.174 228 F CA -0.616 57.453 58.000 0.115 0.000 1.392 228 F CB -0.116 38.993 39.000 0.182 0.000 0.966 228 F HN 0.179 nan 8.300 nan 0.000 0.509 229 S N 2.036 117.842 115.700 0.177 0.000 2.575 229 S HA -0.121 4.349 4.470 0.001 0.000 0.295 229 S C 0.722 175.460 174.600 0.231 0.000 1.267 229 S CA -0.016 58.297 58.200 0.188 0.000 1.074 229 S CB -0.205 63.082 63.200 0.145 0.000 0.829 229 S HN 0.597 nan 8.310 nan 0.000 0.497 230 N N 1.994 120.861 118.700 0.279 0.000 2.614 230 N HA -0.199 4.542 4.740 0.001 0.000 0.276 230 N C -0.503 175.095 175.510 0.146 0.000 1.119 230 N CA 0.945 54.137 53.050 0.236 0.000 0.742 230 N CB -1.051 37.558 38.487 0.204 0.000 0.900 230 N HN 0.786 nan 8.380 nan 0.000 0.549 231 S N 0.767 116.573 115.700 0.177 0.000 2.740 231 S HA 0.776 5.246 4.470 0.001 0.000 0.300 231 S C -0.952 173.660 174.600 0.019 0.000 1.147 231 S CA -0.959 57.259 58.200 0.030 0.000 0.871 231 S CB 2.160 65.407 63.200 0.078 0.000 1.173 231 S HN 0.188 nan 8.310 nan 0.000 0.510 232 K N 1.170 121.454 120.400 -0.193 0.000 2.507 232 K HA 0.460 4.781 4.320 0.001 0.000 0.253 232 K C -1.794 174.699 176.600 -0.179 0.000 0.969 232 K CA -0.064 56.155 56.287 -0.114 0.000 0.908 232 K CB 0.479 32.893 32.500 -0.144 0.000 1.127 232 K HN 0.602 nan 8.250 nan 0.000 0.437 233 F N 0.843 120.845 119.950 0.087 0.000 2.427 233 F HA 0.462 4.989 4.527 0.001 0.000 0.346 233 F C 0.404 176.190 175.800 -0.023 0.000 1.120 233 F CA -0.644 57.422 58.000 0.110 0.000 1.033 233 F CB 1.919 40.989 39.000 0.117 0.000 1.126 233 F HN 0.185 nan 8.300 nan 0.000 0.462 234 T N 2.657 117.248 114.554 0.062 0.000 3.548 234 T HA 0.323 4.673 4.350 0.001 0.000 0.329 234 T C -1.193 173.278 174.700 -0.381 0.000 0.960 234 T CA -0.824 61.097 62.100 -0.297 0.000 1.041 234 T CB 0.274 68.844 68.868 -0.495 0.000 1.065 234 T HN 0.528 nan 8.240 nan 0.000 0.459 235 Y N -0.762 119.617 120.300 0.132 0.000 4.841 235 Y HA -0.243 4.308 4.550 0.001 0.000 0.242 235 Y C 1.103 177.081 175.900 0.131 0.000 1.002 235 Y CA 0.407 58.573 58.100 0.111 0.000 2.011 235 Y CB -2.442 36.064 38.460 0.077 0.000 1.554 235 Y HN 0.616 nan 8.280 nan 0.000 0.618 236 S N 0.526 116.377 115.700 0.252 0.000 2.624 236 S HA 0.385 4.855 4.470 0.001 0.000 0.263 236 S C 0.053 174.810 174.600 0.263 0.000 1.287 236 S CA -0.084 58.287 58.200 0.286 0.000 0.990 236 S CB 0.879 64.354 63.200 0.458 0.000 0.950 236 S HN 0.344 nan 8.310 nan 0.000 0.561 237 D N 1.898 122.476 120.400 0.297 0.000 2.358 237 D HA 0.186 4.826 4.640 0.001 0.000 0.253 237 D C 0.027 176.517 176.300 0.316 0.000 1.288 237 D CA -0.403 53.741 54.000 0.239 0.000 0.950 237 D CB 0.403 41.307 40.800 0.174 0.000 1.197 237 D HN 0.510 nan 8.370 nan 0.000 0.550 238 I N 0.695 121.364 120.570 0.166 0.000 3.805 238 I HA 0.294 4.464 4.170 0.001 0.000 0.337 238 I C -0.330 175.730 176.117 -0.094 0.000 1.539 238 I CA -0.371 60.932 61.300 0.006 0.000 1.176 238 I CB -0.693 37.253 38.000 -0.089 0.000 1.248 238 I HN -0.070 nan 8.210 nan 0.000 0.437 239 S N 2.535 118.209 115.700 -0.044 0.000 2.546 239 S HA 0.124 4.594 4.470 0.001 0.000 0.290 239 S C 0.834 175.384 174.600 -0.082 0.000 1.290 239 S CA 0.290 58.403 58.200 -0.145 0.000 1.069 239 S CB -0.225 62.943 63.200 -0.053 0.000 0.846 239 S HN 0.632 nan 8.310 nan 0.000 0.495 240 H N -1.527 117.442 119.070 -0.169 0.000 4.123 240 H HA -0.164 4.392 4.556 0.000 0.000 0.146 240 H C 0.118 175.329 175.328 -0.195 0.000 0.800 240 H CA 0.943 56.894 56.048 -0.163 0.000 1.256 240 H CB -1.474 28.228 29.762 -0.100 0.000 0.848 240 H HN 0.472 nan 8.280 nan 0.000 0.462 241 L N 1.354 122.476 121.223 -0.169 0.000 2.479 241 L HA 0.147 4.487 4.340 0.001 0.000 0.270 241 L C 1.126 177.775 176.870 -0.369 0.000 1.236 241 L CA 0.722 55.375 54.840 -0.312 0.000 0.823 241 L CB 0.286 42.011 42.059 -0.556 0.000 1.098 241 L HN 0.287 nan 8.230 nan 0.000 0.500 242 H N 1.383 120.138 119.070 -0.525 0.000 2.970 242 H HA 0.354 4.910 4.556 0.000 0.000 0.315 242 H C -1.374 173.713 175.328 -0.401 0.000 0.992 242 H CA -0.819 54.980 56.048 -0.416 0.000 1.363 242 H CB 0.851 30.470 29.762 -0.239 0.000 1.532 242 H HN 0.321 nan 8.280 nan 0.000 0.514 243 F N 3.304 123.296 119.950 0.070 0.000 2.404 243 F HA 0.175 4.702 4.527 0.000 0.000 0.345 243 F C 0.357 176.254 175.800 0.163 0.000 1.110 243 F CA -0.308 57.787 58.000 0.157 0.000 1.130 243 F CB 1.195 40.454 39.000 0.432 0.000 1.129 243 F HN 0.576 nan 8.300 nan 0.000 0.500 244 D N 1.977 122.521 120.400 0.240 0.000 2.619 244 D HA 0.226 4.866 4.640 0.001 0.000 0.241 244 D C -0.866 175.554 176.300 0.200 0.000 1.087 244 D CA -0.225 53.872 54.000 0.162 0.000 0.851 244 D CB 0.943 41.725 40.800 -0.031 0.000 1.474 244 D HN 0.515 nan 8.370 nan 0.000 0.478 245 E N 1.187 121.493 120.200 0.177 0.000 2.222 245 E HA -0.203 4.147 4.350 0.001 0.000 0.189 245 E C -0.887 175.786 176.600 0.121 0.000 1.415 245 E CA 0.496 56.972 56.400 0.126 0.000 0.689 245 E CB -1.658 28.088 29.700 0.077 0.000 1.107 245 E HN 0.304 nan 8.360 nan 0.000 0.350 246 C N 0.478 119.869 119.300 0.152 0.000 2.634 246 C HA 0.594 5.055 4.460 0.001 0.000 0.313 246 C C 0.708 175.659 174.990 -0.065 0.000 1.198 246 C CA -0.758 58.278 59.018 0.030 0.000 1.605 246 C CB 1.953 29.741 27.740 0.080 0.000 2.196 246 C HN 0.425 nan 8.230 nan 0.000 0.486 247 R N 1.446 121.817 120.500 -0.215 0.000 2.310 247 R HA 0.480 4.820 4.340 0.001 0.000 0.324 247 R C -0.774 175.390 176.300 -0.227 0.000 0.955 247 R CA -0.296 55.723 56.100 -0.135 0.000 0.830 247 R CB 0.421 30.679 30.300 -0.071 0.000 1.154 247 R HN 0.778 nan 8.270 nan 0.000 0.458 248 F N 0.510 120.499 119.950 0.065 0.000 2.704 248 F HA 0.141 4.668 4.527 0.000 0.000 0.304 248 F C 0.757 176.569 175.800 0.020 0.000 1.094 248 F CA -0.346 57.705 58.000 0.085 0.000 1.275 248 F CB 0.745 39.719 39.000 -0.043 0.000 1.073 248 F HN 0.368 nan 8.300 nan 0.000 0.586 249 T N 1.748 116.326 114.554 0.041 0.000 2.777 249 T HA -0.219 4.132 4.350 0.001 0.000 0.273 249 T C -0.092 174.489 174.700 -0.198 0.000 1.016 249 T CA 1.185 63.128 62.100 -0.261 0.000 1.156 249 T CB -0.650 67.886 68.868 -0.553 0.000 1.019 249 T HN 0.533 nan 8.240 nan 0.000 0.503 250 Y N -0.720 119.667 120.300 0.146 0.000 4.936 250 Y HA -0.258 4.292 4.550 0.001 0.000 0.266 250 Y C 1.260 177.259 175.900 0.165 0.000 0.909 250 Y CA 0.289 58.476 58.100 0.145 0.000 1.828 250 Y CB -1.794 36.730 38.460 0.105 0.000 1.283 250 Y HN 0.635 nan 8.280 nan 0.000 0.511 251 S N 1.065 116.944 115.700 0.299 0.000 2.610 251 S HA 0.508 4.978 4.470 0.001 0.000 0.273 251 S C 0.405 175.161 174.600 0.259 0.000 1.274 251 S CA 0.159 58.534 58.200 0.292 0.000 1.023 251 S CB 0.980 64.421 63.200 0.402 0.000 0.962 251 S HN 0.321 nan 8.310 nan 0.000 0.523 252 T N 2.093 116.774 114.554 0.212 0.000 2.875 252 T HA 0.578 4.928 4.350 0.001 0.000 0.284 252 T C 0.275 175.086 174.700 0.186 0.000 0.995 252 T CA -0.720 61.483 62.100 0.172 0.000 1.060 252 T CB 0.698 69.578 68.868 0.019 0.000 0.967 252 T HN 0.530 nan 8.240 nan 0.000 0.476 253 L N 2.102 123.401 121.223 0.127 0.000 3.298 253 L HA 0.237 4.577 4.340 0.001 0.000 0.296 253 L C 0.922 177.837 176.870 0.074 0.000 1.237 253 L CA -0.548 54.328 54.840 0.060 0.000 1.038 253 L CB 0.494 42.491 42.059 -0.103 0.000 1.423 253 L HN 0.888 nan 8.230 nan 0.000 0.605 254 S N -0.756 114.991 115.700 0.078 0.000 2.552 254 S HA 0.011 4.481 4.470 0.001 0.000 0.289 254 S C 0.380 174.977 174.600 -0.006 0.000 1.304 254 S CA -0.280 57.953 58.200 0.055 0.000 1.063 254 S CB 0.579 63.809 63.200 0.049 0.000 0.848 254 S HN 0.350 nan 8.310 nan 0.000 0.499 255 D N -0.359 120.069 120.400 0.048 0.000 2.772 255 D HA -0.127 4.513 4.640 0.001 0.000 0.233 255 D C -0.739 175.631 176.300 0.117 0.000 1.143 255 D CA 0.653 54.706 54.000 0.089 0.000 0.700 255 D CB -1.532 39.326 40.800 0.098 0.000 1.076 255 D HN 0.461 nan 8.370 nan 0.000 0.430 256 V N 0.776 120.777 119.914 0.144 0.000 2.394 256 V HA 0.329 4.449 4.120 0.001 0.000 0.282 256 V C 0.249 176.441 176.094 0.163 0.000 1.031 256 V CA -0.761 61.628 62.300 0.149 0.000 0.881 256 V CB 2.032 33.913 31.823 0.097 0.000 0.982 256 V HN 0.069 nan 8.190 nan 0.000 0.451 257 V N 7.755 127.754 119.914 0.141 0.000 2.372 257 V HA 0.231 4.351 4.120 0.001 0.000 0.261 257 V C 0.595 176.691 176.094 0.003 0.000 1.055 257 V CA -0.126 62.232 62.300 0.096 0.000 0.930 257 V CB 0.524 32.417 31.823 0.116 0.000 1.031 257 V HN 1.112 nan 8.190 nan 0.000 0.479 258 C N 3.092 122.321 119.300 -0.118 0.000 2.513 258 C HA 0.494 4.955 4.460 0.001 0.000 0.281 258 C C 0.814 175.600 174.990 -0.341 0.000 1.501 258 C CA -0.889 57.991 59.018 -0.230 0.000 1.749 258 C CB -2.009 25.570 27.740 -0.269 0.000 2.955 258 C HN 0.722 nan 8.230 nan 0.000 0.532 259 S N 3.350 118.880 115.700 -0.283 0.000 2.811 259 S HA 0.030 4.500 4.470 0.001 0.000 0.325 259 S C 0.984 175.237 174.600 -0.579 0.000 1.224 259 S CA 0.965 58.952 58.200 -0.356 0.000 1.125 259 S CB -0.448 62.595 63.200 -0.261 0.000 0.867 259 S HN 0.906 nan 8.310 nan 0.000 0.512 260 N N 1.511 119.936 118.700 -0.459 0.000 2.741 260 N HA -0.171 4.570 4.740 0.001 0.000 0.251 260 N C -0.390 174.842 175.510 -0.463 0.000 1.112 260 N CA 1.232 54.022 53.050 -0.433 0.000 0.750 260 N CB -1.641 36.596 38.487 -0.417 0.000 1.119 260 N HN 0.636 nan 8.380 nan 0.000 0.561 261 T N 0.743 114.989 114.554 -0.514 0.000 2.926 261 T HA 0.222 4.572 4.350 0.001 0.000 0.307 261 T C 0.512 174.760 174.700 -0.753 0.000 1.059 261 T CA 0.210 61.941 62.100 -0.616 0.000 1.122 261 T CB 0.897 69.362 68.868 -0.670 0.000 0.972 261 T HN 0.111 nan 8.240 nan 0.000 0.545 262 K N 2.048 121.995 120.400 -0.755 0.000 2.450 262 K HA 0.473 4.793 4.320 0.001 0.000 0.257 262 K C -1.290 175.008 176.600 -0.504 0.000 0.953 262 K CA -0.256 55.650 56.287 -0.635 0.000 0.844 262 K CB 0.687 32.800 32.500 -0.645 0.000 1.103 262 K HN 0.431 nan 8.250 nan 0.000 0.429 263 F N 1.630 121.510 119.950 -0.117 0.000 2.411 263 F HA 0.442 4.969 4.527 0.000 0.000 0.352 263 F C 0.340 176.233 175.800 0.156 0.000 1.123 263 F CA -0.736 57.327 58.000 0.105 0.000 1.044 263 F CB 1.687 40.708 39.000 0.034 0.000 1.135 263 F HN 0.336 nan 8.300 nan 0.000 0.461 264 S N 2.054 118.002 115.700 0.413 0.000 2.536 264 S HA 0.393 4.864 4.470 0.001 0.000 0.287 264 S C -0.268 174.493 174.600 0.269 0.000 1.101 264 S CA -1.144 57.241 58.200 0.309 0.000 0.950 264 S CB 1.586 64.975 63.200 0.314 0.000 1.056 264 S HN 0.728 nan 8.310 nan 0.000 0.481 265 N N 0.151 118.975 118.700 0.207 0.000 2.708 265 N HA -0.154 4.586 4.740 0.001 0.000 0.249 265 N C -0.625 174.986 175.510 0.168 0.000 1.097 265 N CA 1.153 54.298 53.050 0.159 0.000 0.710 265 N CB -1.471 37.092 38.487 0.127 0.000 1.032 265 N HN 0.636 nan 8.380 nan 0.000 0.551 266 S N -0.343 115.485 115.700 0.214 0.000 2.664 266 S HA 0.502 4.973 4.470 0.001 0.000 0.304 266 S C 0.064 174.766 174.600 0.169 0.000 1.099 266 S CA -0.774 57.562 58.200 0.227 0.000 1.003 266 S CB 3.015 66.443 63.200 0.380 0.000 1.092 266 S HN 0.286 nan 8.310 nan 0.000 0.525 270 E N -0.878 119.276 120.200 -0.076 0.000 2.403 270 E HA -0.176 4.174 4.350 0.001 0.000 0.241 270 E C -0.181 176.475 176.600 0.094 0.000 1.201 270 E CA 0.777 57.194 56.400 0.028 0.000 0.721 270 E CB -1.776 28.015 29.700 0.153 0.000 1.245 270 E HN 0.407 nan 8.360 nan 0.000 0.392 271 V N -3.150 116.776 119.914 0.019 0.000 2.713 271 V HA 0.638 4.759 4.120 0.001 0.000 0.307 271 V C 0.278 176.404 176.094 0.054 0.000 1.052 271 V CA -0.875 61.486 62.300 0.103 0.000 0.967 271 V CB 1.158 32.986 31.823 0.009 0.000 1.019 271 V HN -0.014 nan 8.190 nan 0.000 0.459 272 F N 3.485 123.437 119.950 0.004 0.000 2.384 272 F HA 0.511 5.038 4.527 0.001 0.000 0.359 272 F C 0.459 176.252 175.800 -0.011 0.000 1.143 272 F CA -0.548 57.453 58.000 0.002 0.000 1.216 272 F CB 0.746 39.752 39.000 0.010 0.000 1.512 272 F HN 0.345 nan 8.300 nan 0.000 0.573 273 L N 3.342 124.598 121.223 0.056 0.000 2.923 273 L HA 0.273 4.613 4.340 0.001 0.000 0.231 273 L C 0.159 177.072 176.870 0.072 0.000 1.300 273 L CA 0.090 54.963 54.840 0.055 0.000 1.184 273 L CB 0.022 42.081 42.059 -0.000 0.000 1.511 273 L HN 0.518 nan 8.230 nan 0.000 0.448 274 Q N 1.426 121.263 119.800 0.062 0.000 2.730 274 Q HA 0.169 4.509 4.340 0.001 0.000 0.244 274 Q C -0.763 175.199 176.000 -0.063 0.000 1.176 274 Q CA -0.706 55.070 55.803 -0.044 0.000 1.024 274 Q CB 0.387 29.136 28.738 0.019 0.000 1.215 274 Q HN 0.449 nan 8.270 nan 0.000 0.542 275 Y N -1.146 119.171 120.300 0.029 0.000 2.385 275 Y HA 0.275 4.826 4.550 0.001 0.000 0.346 275 Y C 0.633 176.553 175.900 0.033 0.000 1.270 275 Y CA -1.040 57.078 58.100 0.029 0.000 1.472 275 Y CB 0.294 38.770 38.460 0.028 0.000 1.354 275 Y HN 0.156 nan 8.280 nan 0.000 0.611 276 S N 0.965 116.824 115.700 0.265 0.000 2.552 276 S HA 0.028 4.498 4.470 0.001 0.000 0.289 276 S C 0.968 175.692 174.600 0.207 0.000 1.304 276 S CA -0.424 57.888 58.200 0.186 0.000 1.063 276 S CB -0.320 63.000 63.200 0.200 0.000 0.848 276 S HN 0.635 nan 8.310 nan 0.000 0.499 277 I N 4.488 125.105 120.570 0.079 0.000 2.567 277 I HA -0.066 4.104 4.170 0.001 0.000 0.257 277 I C 2.582 178.879 176.117 0.301 0.000 1.184 277 I CA 1.077 62.431 61.300 0.091 0.000 1.451 277 I CB -0.968 36.925 38.000 -0.177 0.000 1.089 277 I HN 0.665 nan 8.210 nan 0.000 0.441 278 T N 0.127 114.846 114.554 0.275 0.000 3.025 278 T HA -0.072 4.278 4.350 0.001 0.000 0.270 278 T C 0.961 175.798 174.700 0.229 0.000 1.126 278 T CA 0.669 62.962 62.100 0.322 0.000 1.105 278 T CB -0.675 68.329 68.868 0.226 0.000 0.884 278 T HN 0.362 nan 8.240 nan 0.000 0.522 279 T N 2.568 117.256 114.554 0.223 0.000 2.902 279 T HA 0.075 4.425 4.350 0.001 0.000 0.301 279 T C 0.977 175.733 174.700 0.093 0.000 1.012 279 T CA 0.076 62.252 62.100 0.126 0.000 1.151 279 T CB 1.113 70.052 68.868 0.119 0.000 0.946 279 T HN 0.445 nan 8.240 nan 0.000 0.542 280 Q N 2.383 122.191 119.800 0.014 0.000 2.010 280 Q HA -0.000 4.340 4.340 0.001 0.000 0.215 280 Q C 2.285 178.268 176.000 -0.029 0.000 0.984 280 Q CA 0.219 56.023 55.803 0.001 0.000 0.853 280 Q CB -0.213 28.524 28.738 -0.001 0.000 0.922 280 Q HN 0.650 nan 8.270 nan 0.000 0.478 281 Q N 0.493 120.246 119.800 -0.077 0.000 1.900 281 Q HA -0.186 4.154 4.340 0.001 0.000 0.219 281 Q C -0.153 175.797 176.000 -0.084 0.000 1.012 281 Q CA 1.732 57.484 55.803 -0.085 0.000 0.876 281 Q CB 0.280 28.935 28.738 -0.139 0.000 0.952 281 Q HN 0.269 nan 8.270 nan 0.000 0.419 282 Q N -1.416 118.291 119.800 -0.155 0.000 3.565 282 Q HA 0.039 4.379 4.340 0.001 0.000 0.127 282 Q C -2.783 173.079 176.000 -0.231 0.000 0.965 282 Q CA -0.705 55.011 55.803 -0.145 0.000 1.282 282 Q CB 0.319 29.029 28.738 -0.046 0.000 1.464 282 Q HN 0.147 nan 8.270 nan 0.000 0.598 283 P HA 0.199 nan 4.420 nan 0.000 0.275 283 P C -1.084 176.005 177.300 -0.352 0.000 1.228 283 P CA -0.024 62.833 63.100 -0.405 0.000 0.786 283 P CB 1.018 32.473 31.700 -0.408 0.000 0.927 284 S N 0.845 116.234 115.700 -0.517 0.000 2.568 284 S HA 0.788 5.259 4.470 0.001 0.000 0.293 284 S C -1.244 173.058 174.600 -0.497 0.000 1.089 284 S CA -0.687 57.311 58.200 -0.336 0.000 0.945 284 S CB 0.810 63.904 63.200 -0.177 0.000 1.077 284 S HN 0.153 nan 8.310 nan 0.000 0.485 285 F N 1.044 121.044 119.950 0.083 0.000 2.553 285 F HA 0.566 5.093 4.527 0.000 0.000 0.335 285 F C -0.563 175.292 175.800 0.091 0.000 1.148 285 F CA -0.850 57.229 58.000 0.133 0.000 0.963 285 F CB 1.193 40.256 39.000 0.105 0.000 1.217 285 F HN 0.445 nan 8.300 nan 0.000 0.441 286 I N 3.309 124.014 120.570 0.225 0.000 2.378 286 I HA 0.332 4.502 4.170 0.001 0.000 0.291 286 I C -0.510 175.713 176.117 0.176 0.000 0.992 286 I CA -0.792 60.605 61.300 0.161 0.000 1.154 286 I CB 1.386 39.443 38.000 0.095 0.000 1.315 286 I HN 0.490 nan 8.210 nan 0.000 0.448 287 D N 3.066 123.556 120.400 0.150 0.000 2.702 287 D HA -0.164 4.476 4.640 0.001 0.000 0.233 287 D C -0.165 176.224 176.300 0.148 0.000 1.164 287 D CA 1.037 55.116 54.000 0.133 0.000 0.638 287 D CB -1.057 39.809 40.800 0.111 0.000 1.041 287 D HN 0.537 nan 8.370 nan 0.000 0.422 288 T N -0.021 114.635 114.554 0.171 0.000 2.887 288 T HA 0.508 4.858 4.350 0.001 0.000 0.288 288 T C 0.208 174.959 174.700 0.086 0.000 1.021 288 T CA -0.523 61.680 62.100 0.170 0.000 1.000 288 T CB 1.980 71.020 68.868 0.287 0.000 1.034 288 T HN -0.097 nan 8.240 nan 0.000 0.467 289 T N 3.190 117.769 114.554 0.042 0.000 2.837 289 T HA 0.541 4.891 4.350 0.001 0.000 0.285 289 T C 0.058 174.705 174.700 -0.088 0.000 0.984 289 T CA -0.588 61.493 62.100 -0.030 0.000 1.049 289 T CB 0.460 69.313 68.868 -0.025 0.000 0.947 289 T HN 0.350 nan 8.240 nan 0.000 0.472 290 L N 2.603 123.731 121.223 -0.158 0.000 2.732 290 L HA 0.374 4.715 4.340 0.001 0.000 0.246 290 L C 0.427 177.184 176.870 -0.189 0.000 1.407 290 L CA -0.483 54.229 54.840 -0.212 0.000 0.861 290 L CB 0.380 42.233 42.059 -0.343 0.000 1.161 290 L HN 0.396 nan 8.230 nan 0.000 0.510 291 K N 1.892 122.205 120.400 -0.146 0.000 2.339 291 K HA 0.141 4.462 4.320 0.001 0.000 0.286 291 K C 0.129 176.660 176.600 -0.115 0.000 1.050 291 K CA -0.118 56.084 56.287 -0.142 0.000 0.956 291 K CB 0.544 32.982 32.500 -0.103 0.000 0.990 291 K HN 0.384 nan 8.250 nan 0.000 0.475 292 N N 0.889 119.499 118.700 -0.150 0.000 2.714 292 N HA -0.174 4.567 4.740 0.001 0.000 0.250 292 N C -0.514 175.053 175.510 0.095 0.000 1.117 292 N CA 1.573 54.621 53.050 -0.003 0.000 0.719 292 N CB -1.810 36.740 38.487 0.105 0.000 1.081 292 N HN 0.772 nan 8.380 nan 0.000 0.557 293 T N -2.324 112.205 114.554 -0.041 0.000 2.875 293 T HA 0.476 4.827 4.350 0.001 0.000 0.284 293 T C 0.317 174.970 174.700 -0.079 0.000 0.995 293 T CA -0.976 61.060 62.100 -0.107 0.000 1.060 293 T CB 2.277 71.055 68.868 -0.149 0.000 0.967 293 T HN 0.116 nan 8.240 nan 0.000 0.476 294 L N 5.107 126.217 121.223 -0.189 0.000 2.295 294 L HA 0.470 4.810 4.340 0.001 0.000 0.288 294 L C -0.047 176.788 176.870 -0.059 0.000 1.079 294 L CA -0.548 54.230 54.840 -0.103 0.000 0.830 294 L CB -0.491 41.427 42.059 -0.234 0.000 1.200 294 L HN 0.819 nan 8.230 nan 0.000 0.438 295 I N 2.247 122.806 120.570 -0.019 0.000 2.750 295 I HA 0.531 4.702 4.170 0.001 0.000 0.308 295 I C 0.337 176.442 176.117 -0.021 0.000 1.016 295 I CA -1.123 60.165 61.300 -0.021 0.000 1.098 295 I CB 1.521 39.487 38.000 -0.055 0.000 1.279 295 I HN 0.469 nan 8.210 nan 0.000 0.454 296 R N 2.032 122.453 120.500 -0.131 0.000 2.784 296 R HA 0.096 4.436 4.340 0.001 0.000 0.266 296 R C 0.376 176.602 176.300 -0.123 0.000 1.044 296 R CA -0.264 55.687 56.100 -0.249 0.000 1.151 296 R CB 0.252 30.105 30.300 -0.746 0.000 1.037 296 R HN 0.769 nan 8.270 nan 0.000 0.478 297 H N 1.806 120.754 119.070 -0.203 0.000 2.749 297 H HA 0.085 4.642 4.556 0.001 0.000 0.306 297 H C -0.526 174.756 175.328 -0.076 0.000 1.091 297 H CA -0.073 55.891 56.048 -0.139 0.000 1.180 297 H CB -0.316 29.307 29.762 -0.231 0.000 1.349 297 H HN 0.354 nan 8.280 nan 0.000 0.570 298 K N 0.130 120.445 120.400 -0.142 0.000 3.157 298 K HA 0.646 4.966 4.320 0.001 0.000 0.173 298 K C -1.128 175.569 176.600 0.162 0.000 1.127 298 K CA -0.608 55.669 56.287 -0.016 0.000 0.849 298 K CB 0.738 33.185 32.500 -0.090 0.000 1.038 298 K HN 0.149 nan 8.250 nan 0.000 0.603 299 A N 1.485 124.415 122.820 0.184 0.000 2.330 299 A HA 0.416 4.737 4.320 0.001 0.000 0.329 299 A C -0.803 176.905 177.584 0.207 0.000 1.135 299 A CA -0.923 51.292 52.037 0.296 0.000 0.817 299 A CB 0.935 20.233 19.000 0.496 0.000 1.269 299 A HN 0.702 nan 8.150 nan 0.000 0.469 300 N N 1.683 120.506 118.700 0.204 0.000 2.415 300 N HA 0.330 5.070 4.740 0.001 0.000 0.246 300 N C -0.437 175.208 175.510 0.224 0.000 1.078 300 N CA -0.334 52.800 53.050 0.140 0.000 0.942 300 N CB 0.212 38.731 38.487 0.053 0.000 1.140 300 N HN 0.570 nan 8.380 nan 0.000 0.501 301 L N 3.077 124.398 121.223 0.163 0.000 2.818 301 L HA 0.111 4.451 4.340 0.001 0.000 0.243 301 L C 1.809 178.751 176.870 0.120 0.000 1.185 301 L CA -0.216 54.714 54.840 0.151 0.000 0.988 301 L CB 0.206 42.297 42.059 0.054 0.000 1.292 301 L HN 0.572 nan 8.230 nan 0.000 0.519 302 S N -0.661 115.105 115.700 0.109 0.000 2.500 302 S HA -0.069 4.402 4.470 0.001 0.000 0.239 302 S C 1.402 176.064 174.600 0.104 0.000 0.989 302 S CA 0.888 59.143 58.200 0.093 0.000 0.951 302 S CB -0.202 63.036 63.200 0.064 0.000 0.759 302 S HN 0.464 nan 8.310 nan 0.000 0.523 303 G N 0.468 109.343 108.800 0.124 0.000 4.379 303 G HA2 0.502 4.462 3.960 0.001 0.000 0.290 303 G HA3 0.502 4.462 3.960 0.001 0.000 0.290 303 G C -0.365 174.627 174.900 0.153 0.000 1.065 303 G CA -0.285 44.892 45.100 0.129 0.000 0.833 303 G HN 0.307 nan 8.290 nan 0.000 0.512 304 V N 1.499 121.499 119.914 0.144 0.000 2.644 304 V HA 0.443 4.563 4.120 0.001 0.000 0.295 304 V C 0.051 176.202 176.094 0.095 0.000 1.053 304 V CA -0.530 61.824 62.300 0.090 0.000 0.987 304 V CB 1.728 33.545 31.823 -0.009 0.000 1.006 304 V HN 0.267 nan 8.190 nan 0.000 0.472 305 I N 5.221 125.820 120.570 0.047 0.000 2.321 305 I HA 0.365 4.535 4.170 0.001 0.000 0.291 305 I C -0.757 175.308 176.117 -0.087 0.000 0.998 305 I CA -0.405 60.935 61.300 0.068 0.000 1.227 305 I CB 1.062 39.107 38.000 0.076 0.000 1.368 305 I HN 0.273 nan 8.210 nan 0.000 0.466 306 L N 7.325 128.430 121.223 -0.196 0.000 2.307 306 L HA 0.484 4.825 4.340 0.001 0.000 0.284 306 L C -0.212 176.596 176.870 -0.103 0.000 1.023 306 L CA -0.068 54.568 54.840 -0.341 0.000 0.810 306 L CB 1.072 42.620 42.059 -0.851 0.000 1.231 306 L HN 0.549 nan 8.230 nan 0.000 0.423 307 N N 2.371 121.007 118.700 -0.107 0.000 2.249 307 N HA 0.232 4.972 4.740 0.001 0.000 0.296 307 N C -0.996 174.466 175.510 -0.079 0.000 1.051 307 N CA -0.805 52.214 53.050 -0.051 0.000 0.815 307 N CB 2.242 40.708 38.487 -0.036 0.000 1.487 307 N HN 0.495 nan 8.380 nan 0.000 0.475 308 E N 2.138 122.309 120.200 -0.048 0.000 2.975 308 E HA -0.081 4.270 4.350 0.001 0.000 0.269 308 E C -1.902 174.647 176.600 -0.086 0.000 0.905 308 E CA -0.013 56.352 56.400 -0.059 0.000 0.967 308 E CB 0.169 29.851 29.700 -0.031 0.000 0.925 308 E HN 0.350 nan 8.360 nan 0.000 0.507 309 P HA 0.030 nan 4.420 nan 0.000 0.276 309 P C -0.072 177.175 177.300 -0.089 0.000 1.252 309 P CA -0.256 62.754 63.100 -0.150 0.000 0.802 309 P CB 0.892 32.462 31.700 -0.216 0.000 1.035 310 D N 1.032 121.389 120.400 -0.072 0.000 2.562 310 D HA 0.090 4.730 4.640 0.001 0.000 0.271 310 D C 0.423 176.727 176.300 0.006 0.000 1.198 310 D CA 0.169 54.158 54.000 -0.020 0.000 1.071 310 D CB -0.128 40.674 40.800 0.004 0.000 1.011 310 D HN 0.280 nan 8.370 nan 0.000 0.327 311 N N -0.980 117.749 118.700 0.047 0.000 3.411 311 N HA 0.006 4.746 4.740 0.001 0.000 0.236 311 N C 0.444 176.044 175.510 0.150 0.000 1.053 311 N CA 1.135 54.237 53.050 0.087 0.000 1.133 311 N CB 0.766 39.288 38.487 0.059 0.000 1.460 311 N HN 0.645 nan 8.380 nan 0.000 0.724 312 S N 0.778 116.540 115.700 0.104 0.000 3.118 312 S HA -0.218 4.252 4.470 0.001 0.000 0.631 312 S C -0.221 174.416 174.600 0.063 0.000 2.944 312 S CA 0.370 58.627 58.200 0.096 0.000 3.398 312 S CB -1.085 62.196 63.200 0.136 0.000 0.312 312 S HN 0.302 nan 8.310 nan 0.000 1.625 313 S N 2.720 118.416 115.700 -0.007 0.000 2.659 313 S HA 0.653 5.123 4.470 0.001 0.000 0.312 313 S C -2.894 171.439 174.600 -0.445 0.000 1.114 313 S CA -0.898 57.209 58.200 -0.154 0.000 1.063 313 S CB 1.577 64.704 63.200 -0.122 0.000 0.996 313 S HN 0.682 nan 8.310 nan 0.000 0.478 314 P HA 0.012 nan 4.420 nan 0.000 0.257 314 P C -1.790 174.829 177.300 -1.135 0.000 1.162 314 P CA -0.539 61.575 63.100 -1.643 0.000 0.762 314 P CB -0.159 30.757 31.700 -1.307 0.000 0.753 315 P HA -0.324 nan 4.420 nan 0.000 0.220 315 P C 0.977 178.130 177.300 -0.244 0.000 0.849 315 P CA 2.170 64.943 63.100 -0.545 0.000 1.048 315 P CB -0.332 31.069 31.700 -0.498 0.000 0.727 316 S N -2.637 112.988 115.700 -0.125 0.000 3.339 316 S HA 0.569 5.039 4.470 0.001 0.000 0.221 316 S C 0.435 175.122 174.600 0.144 0.000 1.059 316 S CA 0.105 58.316 58.200 0.019 0.000 1.365 316 S CB 0.685 64.044 63.200 0.264 0.000 1.065 316 S HN 0.138 nan 8.310 nan 0.000 0.618 317 V N -0.201 119.807 119.914 0.157 0.000 5.434 317 V HA 0.509 4.630 4.120 0.001 0.000 0.314 317 V C -1.330 174.803 176.094 0.065 0.000 1.666 317 V CA 0.080 62.440 62.300 0.100 0.000 0.768 317 V CB 0.767 32.655 31.823 0.109 0.000 1.288 317 V HN 1.256 nan 8.190 nan 0.000 0.436 318 S N 0.637 116.365 115.700 0.047 0.000 2.567 318 S HA 0.801 5.272 4.470 0.001 0.000 0.262 318 S C -0.026 174.585 174.600 0.019 0.000 1.237 318 S CA 0.280 58.493 58.200 0.023 0.000 1.093 318 S CB 0.307 63.514 63.200 0.011 0.000 1.095 318 S HN 1.455 nan 8.310 nan 0.000 0.489 319 G N 1.782 110.587 108.800 0.008 0.000 3.324 319 G HA2 0.802 4.763 3.960 0.001 0.000 0.188 319 G HA3 0.802 4.763 3.960 0.001 0.000 0.188 319 G C 0.164 175.024 174.900 -0.067 0.000 1.384 319 G CA -0.007 45.081 45.100 -0.020 0.000 0.841 319 G HN 0.941 nan 8.290 nan 0.000 0.758 320 G N -0.739 107.987 108.800 -0.124 0.000 3.324 320 G HA2 0.545 4.505 3.960 0.001 0.000 0.188 320 G HA3 0.545 4.505 3.960 0.001 0.000 0.188 320 G C 0.537 175.288 174.900 -0.249 0.000 1.384 320 G CA 0.661 45.655 45.100 -0.176 0.000 0.841 320 G HN 1.021 nan 8.290 nan 0.000 0.758 321 G N -0.192 108.408 108.800 -0.334 0.000 2.611 321 G HA2 0.398 4.359 3.960 0.001 0.000 0.273 321 G HA3 0.398 4.359 3.960 0.001 0.000 0.273 321 G C -0.003 174.607 174.900 -0.484 0.000 1.305 321 G CA -0.306 44.584 45.100 -0.350 0.000 1.010 321 G HN 0.674 nan 8.290 nan 0.000 0.509 322 N N -1.473 117.026 118.700 -0.336 0.000 2.260 322 N HA 0.326 5.066 4.740 0.001 0.000 0.230 322 N C -0.835 174.420 175.510 -0.424 0.000 1.323 322 N CA 0.382 53.270 53.050 -0.272 0.000 0.897 322 N CB 0.370 38.818 38.487 -0.065 0.000 1.146 322 N HN 0.303 nan 8.380 nan 0.000 0.460 323 F N 0.159 120.093 119.950 -0.026 0.000 2.492 323 F HA 0.504 5.032 4.527 0.001 0.000 0.327 323 F C 0.404 176.328 175.800 0.206 0.000 1.079 323 F CA -1.125 56.914 58.000 0.065 0.000 0.967 323 F CB 1.031 39.999 39.000 -0.054 0.000 1.169 323 F HN 0.201 nan 8.300 nan 0.000 0.472 324 I N -0.221 120.593 120.570 0.406 0.000 2.846 324 I HA 0.614 4.785 4.170 0.001 0.000 0.307 324 I C -0.878 175.396 176.117 0.262 0.000 1.053 324 I CA -1.168 60.314 61.300 0.304 0.000 1.050 324 I CB 1.993 40.083 38.000 0.149 0.000 1.239 324 I HN 0.599 nan 8.210 nan 0.000 0.439 325 R N 3.700 124.226 120.500 0.042 0.000 2.297 325 R HA 0.529 4.869 4.340 0.001 0.000 0.308 325 R C -0.695 175.524 176.300 -0.134 0.000 1.029 325 R CA -0.792 55.181 56.100 -0.211 0.000 0.929 325 R CB 1.880 31.921 30.300 -0.432 0.000 1.046 325 R HN 0.621 nan 8.270 nan 0.000 0.461 326 L N 4.208 125.334 121.223 -0.161 0.000 2.353 326 L HA 0.179 4.519 4.340 0.001 0.000 0.269 326 L C 0.877 177.613 176.870 -0.223 0.000 1.085 326 L CA 0.368 55.121 54.840 -0.144 0.000 0.938 326 L CB 0.336 42.331 42.059 -0.107 0.000 1.312 326 L HN 1.057 nan 8.230 nan 0.000 0.429 327 G N 3.683 112.353 108.800 -0.217 0.000 2.620 327 G HA2 -0.439 3.521 3.960 0.001 0.000 0.315 327 G HA3 -0.439 3.521 3.960 0.001 0.000 0.315 327 G C 0.406 175.117 174.900 -0.314 0.000 1.179 327 G CA 0.652 45.605 45.100 -0.246 0.000 0.971 327 G HN 0.800 nan 8.290 nan 0.000 0.544 328 D N 0.994 121.200 120.400 -0.323 0.000 2.368 328 D HA 0.267 4.907 4.640 0.001 0.000 0.218 328 D C 1.080 177.118 176.300 -0.437 0.000 1.112 328 D CA -0.108 53.664 54.000 -0.380 0.000 0.834 328 D CB -0.121 40.522 40.800 -0.262 0.000 0.953 328 D HN 0.673 nan 8.370 nan 0.000 0.505 329 I N 0.076 120.413 120.570 -0.388 0.000 2.353 329 I HA 0.309 4.479 4.170 0.001 0.000 0.293 329 I C -0.227 175.703 176.117 -0.312 0.000 0.992 329 I CA -0.811 60.303 61.300 -0.310 0.000 1.268 329 I CB 0.502 38.370 38.000 -0.221 0.000 1.387 329 I HN -0.136 nan 8.210 nan 0.000 0.478 330 W N 6.230 127.462 121.300 -0.112 0.000 2.351 330 W HA 0.574 5.234 4.660 0.001 0.000 0.311 330 W C -0.472 176.060 176.519 0.021 0.000 1.168 330 W CA -0.432 56.881 57.345 -0.054 0.000 1.200 330 W CB 1.165 30.532 29.460 -0.156 0.000 1.221 330 W HN 0.252 nan 8.180 nan 0.000 0.519 331 L N 2.651 124.110 121.223 0.393 0.000 2.362 331 L HA 0.438 4.778 4.340 0.001 0.000 0.271 331 L C 0.122 177.175 176.870 0.305 0.000 1.002 331 L CA -1.010 53.995 54.840 0.275 0.000 0.818 331 L CB 1.823 43.982 42.059 0.167 0.000 1.298 331 L HN 0.446 nan 8.230 nan 0.000 0.420 335 L N -0.149 120.809 121.223 -0.442 0.000 2.465 335 L HA 0.327 4.667 4.340 0.001 0.000 0.224 335 L C 0.227 176.923 176.870 -0.290 0.000 1.145 335 L CA 0.890 55.547 54.840 -0.304 0.000 0.834 335 L CB -0.006 41.931 42.059 -0.204 0.000 0.944 335 L HN 0.402 nan 8.230 nan 0.000 0.451 336 L N -2.300 118.672 121.223 -0.420 0.000 3.546 336 L HA 0.109 4.450 4.340 0.001 0.000 0.258 336 L C -1.824 174.832 176.870 -0.357 0.000 0.984 336 L CA -0.649 54.025 54.840 -0.276 0.000 1.078 336 L CB 0.432 42.407 42.059 -0.140 0.000 1.801 336 L HN -0.058 nan 8.230 nan 0.000 0.497 337 W N 4.866 126.076 121.300 -0.150 0.000 1.438 337 W HA 0.293 4.953 4.660 0.000 0.000 0.455 337 W C 1.358 177.821 176.519 -0.094 0.000 0.656 337 W CA 0.202 57.453 57.345 -0.157 0.000 2.049 337 W CB 0.144 29.521 29.460 -0.139 0.000 1.683 337 W HN 0.570 nan 8.180 nan 0.000 0.228 338 T N -2.890 111.680 114.554 0.027 0.000 2.724 338 T HA -0.130 4.220 4.350 0.001 0.000 0.324 338 T C 1.355 176.104 174.700 0.082 0.000 1.071 338 T CA 0.216 62.340 62.100 0.039 0.000 1.061 338 T CB 1.072 69.939 68.868 -0.002 0.000 0.990 338 T HN 0.548 nan 8.240 nan 0.000 0.543 339 E N 0.820 121.060 120.200 0.067 0.000 2.160 339 E HA -0.240 4.111 4.350 0.001 0.000 0.195 339 E C 1.767 178.413 176.600 0.076 0.000 0.991 339 E CA 1.743 58.185 56.400 0.069 0.000 0.810 339 E CB -0.258 29.470 29.700 0.046 0.000 0.742 339 E HN 0.798 nan 8.360 nan 0.000 0.466 340 N N 0.192 118.933 118.700 0.067 0.000 2.216 340 N HA -0.052 4.689 4.740 0.001 0.000 0.183 340 N C 1.696 177.281 175.510 0.125 0.000 1.017 340 N CA 1.101 54.201 53.050 0.084 0.000 0.861 340 N CB -0.143 38.384 38.487 0.067 0.000 0.986 340 N HN 0.226 nan 8.380 nan 0.000 0.428 341 A N 0.686 123.550 122.820 0.074 0.000 1.865 341 A HA -0.131 4.190 4.320 0.001 0.000 0.217 341 A C 2.315 180.026 177.584 0.213 0.000 1.191 341 A CA 1.370 53.416 52.037 0.015 0.000 0.623 341 A CB -1.066 17.767 19.000 -0.278 0.000 0.826 341 A HN 0.099 nan 8.150 nan 0.000 0.444 342 V N 0.478 120.555 119.914 0.272 0.000 2.370 342 V HA -0.328 3.793 4.120 0.001 0.000 0.252 342 V C 2.301 178.570 176.094 0.293 0.000 1.068 342 V CA 2.724 65.219 62.300 0.325 0.000 1.061 342 V CB -0.861 31.085 31.823 0.205 0.000 0.656 342 V HN 0.765 nan 8.190 nan 0.000 0.455 343 D N -0.024 120.510 120.400 0.222 0.000 2.091 343 D HA -0.058 4.583 4.640 0.001 0.000 0.199 343 D C 2.193 178.645 176.300 0.254 0.000 0.980 343 D CA 1.352 55.455 54.000 0.172 0.000 0.831 343 D CB -0.469 40.374 40.800 0.072 0.000 0.987 343 D HN 0.338 nan 8.370 nan 0.000 0.460 344 G N -1.603 107.384 108.800 0.312 0.000 2.470 344 G HA2 -0.185 3.775 3.960 0.001 0.000 0.220 344 G HA3 -0.185 3.775 3.960 0.001 0.000 0.220 344 G C 1.136 176.253 174.900 0.362 0.000 1.121 344 G CA 0.413 45.702 45.100 0.316 0.000 0.766 344 G HN 0.244 nan 8.290 nan 0.000 0.553 345 F N -0.595 119.524 119.950 0.281 0.000 2.453 345 F HA 0.375 4.902 4.527 0.001 0.000 0.284 345 F C 2.286 178.257 175.800 0.285 0.000 1.065 345 F CA 0.461 58.643 58.000 0.304 0.000 1.411 345 F CB 0.169 39.288 39.000 0.199 0.000 1.131 345 F HN -0.015 nan 8.300 nan 0.000 0.582 346 L N -1.592 119.891 121.223 0.433 0.000 2.547 346 L HA 0.176 4.516 4.340 0.001 0.000 0.218 346 L C 0.494 177.527 176.870 0.270 0.000 1.048 346 L CA 0.125 55.157 54.840 0.319 0.000 0.859 346 L CB -0.288 41.919 42.059 0.246 0.000 1.128 346 L HN -0.123 nan 8.230 nan 0.000 0.483 347 N N 1.230 120.056 118.700 0.209 0.000 2.895 347 N HA -0.040 4.700 4.740 0.001 0.000 0.277 347 N C 1.236 176.810 175.510 0.107 0.000 1.185 347 N CA 0.024 53.136 53.050 0.103 0.000 1.106 347 N CB 0.108 38.652 38.487 0.094 0.000 1.422 347 N HN 0.331 nan 8.380 nan 0.000 0.521 348 H N 0.630 119.753 119.070 0.088 0.000 2.495 348 H HA 0.042 4.599 4.556 0.001 0.000 0.287 348 H C 0.551 175.856 175.328 -0.039 0.000 1.033 348 H CA 0.648 56.714 56.048 0.029 0.000 1.307 348 H CB 0.277 30.042 29.762 0.005 0.000 1.401 348 H HN 0.480 nan 8.280 nan 0.000 0.555 349 E N 0.402 120.412 120.200 -0.317 0.000 2.204 349 E HA -0.172 4.179 4.350 0.001 0.000 0.194 349 E C 1.461 178.050 176.600 -0.019 0.000 0.989 349 E CA 0.832 57.098 56.400 -0.224 0.000 0.824 349 E CB -0.064 29.531 29.700 -0.174 0.000 0.756 349 E HN 0.613 nan 8.360 nan 0.000 0.477 350 H N -0.357 118.689 119.070 -0.039 0.000 2.539 350 H HA 0.188 4.744 4.556 0.001 0.000 0.269 350 H C 0.212 175.558 175.328 0.029 0.000 0.980 350 H CA 0.386 56.439 56.048 0.009 0.000 1.152 350 H CB 0.440 30.213 29.762 0.019 0.000 1.407 350 H HN -0.053 nan 8.280 nan 0.000 0.564 351 N N 0.755 119.501 118.700 0.076 0.000 2.536 351 N HA 0.029 4.769 4.740 0.001 0.000 0.286 351 N C -1.035 174.510 175.510 0.058 0.000 1.577 351 N CA -0.060 53.031 53.050 0.068 0.000 0.883 351 N CB 0.311 38.880 38.487 0.137 0.000 1.390 351 N HN 0.384 nan 8.380 nan 0.000 0.491 352 N N 0.810 119.555 118.700 0.075 0.000 2.669 352 N HA -0.241 4.499 4.740 0.001 0.000 0.266 352 N C 0.753 176.277 175.510 0.023 0.000 1.024 352 N CA 0.469 53.593 53.050 0.123 0.000 0.766 352 N CB -1.006 37.562 38.487 0.135 0.000 0.898 352 N HN 0.507 nan 8.380 nan 0.000 0.548 353 G N -0.330 108.453 108.800 -0.027 0.000 2.203 353 G HA2 -0.377 3.583 3.960 0.001 0.000 0.263 353 G HA3 -0.377 3.583 3.960 0.001 0.000 0.263 353 G C -0.131 174.797 174.900 0.046 0.000 1.012 353 G CA 0.594 45.695 45.100 0.003 0.000 0.749 353 G HN 0.561 nan 8.290 nan 0.000 0.512 354 K N 0.844 121.296 120.400 0.088 0.000 2.464 354 K HA 0.535 4.855 4.320 0.001 0.000 0.252 354 K C -0.062 176.596 176.600 0.097 0.000 1.000 354 K CA 0.208 56.534 56.287 0.064 0.000 0.951 354 K CB 1.329 33.857 32.500 0.047 0.000 1.183 354 K HN 0.503 nan 8.250 nan 0.000 0.445 355 S N 1.581 117.334 115.700 0.087 0.000 2.607 355 S HA 0.311 4.781 4.470 0.001 0.000 0.273 355 S C 0.788 175.457 174.600 0.115 0.000 1.148 355 S CA -0.947 57.339 58.200 0.143 0.000 0.833 355 S CB 1.028 64.394 63.200 0.278 0.000 1.130 355 S HN 0.440 nan 8.310 nan 0.000 0.470 356 I N 0.938 121.644 120.570 0.227 0.000 2.381 356 I HA -0.086 4.084 4.170 0.001 0.000 0.255 356 I C 0.860 177.038 176.117 0.102 0.000 1.140 356 I CA 1.219 62.638 61.300 0.198 0.000 1.404 356 I CB -0.791 37.353 38.000 0.240 0.000 1.075 356 I HN 0.601 nan 8.210 nan 0.000 0.433 360 I N 1.974 122.570 120.570 0.043 0.000 2.830 360 I HA 0.106 4.277 4.170 0.001 0.000 0.263 360 I C 1.286 177.467 176.117 0.107 0.000 1.230 360 I CA 1.966 63.300 61.300 0.057 0.000 1.480 360 I CB -0.819 37.212 38.000 0.052 0.000 1.095 360 I HN 0.263 nan 8.210 nan 0.000 0.455 361 D N 1.139 121.600 120.400 0.102 0.000 2.355 361 D HA -0.098 4.543 4.640 0.001 0.000 0.218 361 D C 2.151 178.518 176.300 0.111 0.000 1.004 361 D CA 1.069 55.169 54.000 0.168 0.000 0.880 361 D CB 0.187 41.068 40.800 0.135 0.000 0.911 361 D HN 0.536 nan 8.370 nan 0.000 0.528 362 S N -0.714 115.033 115.700 0.078 0.000 2.501 362 S HA 0.088 4.558 4.470 0.001 0.000 0.220 362 S C 1.044 175.691 174.600 0.079 0.000 0.997 362 S CA -0.411 57.828 58.200 0.066 0.000 0.919 362 S CB -0.426 62.807 63.200 0.056 0.000 0.778 362 S HN 0.150 nan 8.310 nan 0.000 0.523 363 L N 2.981 124.259 121.223 0.092 0.000 2.506 363 L HA 0.207 4.547 4.340 0.001 0.000 0.281 363 L C -2.073 174.880 176.870 0.139 0.000 1.228 363 L CA -1.374 53.541 54.840 0.125 0.000 0.850 363 L CB -0.582 41.550 42.059 0.122 0.000 1.110 363 L HN 0.131 nan 8.230 nan 0.000 0.496 364 P HA -0.010 nan 4.420 nan 0.000 0.264 364 P C -0.285 177.042 177.300 0.045 0.000 1.183 364 P CA 0.177 63.329 63.100 0.087 0.000 0.763 364 P CB 0.137 31.874 31.700 0.061 0.000 0.807 365 D N 2.804 123.206 120.400 0.003 0.000 2.662 365 D HA 0.027 4.668 4.640 0.001 0.000 0.228 365 D C 1.057 177.326 176.300 -0.052 0.000 1.090 365 D CA 0.174 54.161 54.000 -0.021 0.000 1.118 365 D CB -0.730 40.054 40.800 -0.027 0.000 1.129 365 D HN 0.608 nan 8.370 nan 0.000 0.472 366 K N -1.524 118.838 120.400 -0.064 0.000 2.226 366 K HA -0.055 4.266 4.320 0.001 0.000 0.140 366 K C -0.133 176.372 176.600 -0.159 0.000 2.039 366 K CA -0.303 55.900 56.287 -0.140 0.000 1.172 366 K CB -0.027 32.340 32.500 -0.223 0.000 2.136 366 K HN 0.322 nan 8.250 nan 0.000 0.492 367 Y N 2.443 122.730 120.300 -0.022 0.000 2.740 367 Y HA 0.267 4.818 4.550 0.001 0.000 0.356 367 Y C 0.262 176.146 175.900 -0.026 0.000 1.101 367 Y CA -0.431 57.656 58.100 -0.021 0.000 1.477 367 Y CB 0.926 39.377 38.460 -0.016 0.000 1.296 367 Y HN -0.006 nan 8.280 nan 0.000 0.507 368 S N 1.034 116.779 115.700 0.075 0.000 3.811 368 S HA 0.026 4.496 4.470 0.001 0.000 0.205 368 S C 1.028 175.634 174.600 0.010 0.000 1.445 368 S CA 0.184 58.391 58.200 0.011 0.000 1.097 368 S CB -0.062 63.110 63.200 -0.047 0.000 1.350 368 S HN 0.575 nan 8.310 nan 0.000 0.471 369 Q N 0.025 119.851 119.800 0.043 0.000 1.897 369 Q HA 0.103 4.443 4.340 0.001 0.000 0.200 369 Q C 1.183 177.204 176.000 0.035 0.000 0.677 369 Q CA 0.155 55.976 55.803 0.030 0.000 0.808 369 Q CB 0.208 28.959 28.738 0.022 0.000 1.229 369 Q HN 0.280 nan 8.270 nan 0.000 0.421 370 E N 0.773 120.999 120.200 0.044 0.000 2.204 370 E HA -0.116 4.235 4.350 0.001 0.000 0.194 370 E C 1.059 177.669 176.600 0.016 0.000 0.989 370 E CA 0.861 57.263 56.400 0.003 0.000 0.824 370 E CB 0.240 29.914 29.700 -0.043 0.000 0.756 370 E HN 0.364 nan 8.360 nan 0.000 0.477 371 K N 0.706 121.143 120.400 0.062 0.000 1.991 371 K HA -0.005 4.315 4.320 0.001 0.000 0.208 371 K C 2.358 179.066 176.600 0.182 0.000 1.038 371 K CA 0.826 57.185 56.287 0.120 0.000 0.943 371 K CB -0.359 32.232 32.500 0.151 0.000 0.736 371 K HN -0.106 nan 8.250 nan 0.000 0.440 372 V N 2.264 122.282 119.914 0.173 0.000 2.313 372 V HA -0.342 3.779 4.120 0.001 0.000 0.253 372 V C 2.553 178.724 176.094 0.128 0.000 1.070 372 V CA 2.197 64.618 62.300 0.202 0.000 1.057 372 V CB -0.675 31.199 31.823 0.084 0.000 0.653 372 V HN 0.403 nan 8.190 nan 0.000 0.450 373 Q N 0.701 120.545 119.800 0.072 0.000 1.956 373 Q HA -0.090 4.250 4.340 0.001 0.000 0.208 373 Q C 1.381 177.401 176.000 0.033 0.000 0.998 373 Q CA 1.826 57.652 55.803 0.038 0.000 0.855 373 Q CB -0.743 28.003 28.738 0.013 0.000 0.928 373 Q HN 0.706 nan 8.270 nan 0.000 0.418 377 D N 2.218 122.598 120.400 -0.034 0.000 2.092 377 D HA -0.156 4.484 4.640 0.001 0.000 0.193 377 D C 2.021 178.293 176.300 -0.047 0.000 0.994 377 D CA 1.066 55.053 54.000 -0.023 0.000 0.828 377 D CB -0.134 40.675 40.800 0.015 0.000 0.963 377 D HN 0.104 nan 8.370 nan 0.000 0.450 378 L N 1.113 122.309 121.223 -0.045 0.000 1.963 378 L HA -0.243 4.098 4.340 0.001 0.000 0.220 378 L C 2.508 179.242 176.870 -0.226 0.000 1.076 378 L CA 1.433 56.238 54.840 -0.059 0.000 0.772 378 L CB -0.483 41.553 42.059 -0.037 0.000 0.892 378 L HN -0.087 nan 8.230 nan 0.000 0.435 379 V N 0.317 120.026 119.914 -0.341 0.000 2.311 379 V HA -0.432 3.689 4.120 0.001 0.000 0.256 379 V C 2.580 178.315 176.094 -0.598 0.000 1.077 379 V CA 2.547 64.465 62.300 -0.638 0.000 1.067 379 V CB -0.828 30.685 31.823 -0.517 0.000 0.659 379 V HN 0.500 nan 8.190 nan 0.000 0.451 380 K N -0.021 120.186 120.400 -0.322 0.000 2.001 380 K HA -0.217 4.103 4.320 0.001 0.000 0.214 380 K C 2.425 178.905 176.600 -0.201 0.000 1.050 380 K CA 1.877 58.033 56.287 -0.220 0.000 0.934 380 K CB -0.555 31.882 32.500 -0.106 0.000 0.718 380 K HN 0.432 nan 8.250 nan 0.000 0.443 381 S N 0.624 116.247 115.700 -0.128 0.000 2.465 381 S HA -0.069 4.401 4.470 0.001 0.000 0.241 381 S C 1.721 176.233 174.600 -0.145 0.000 1.000 381 S CA 0.795 59.000 58.200 0.008 0.000 0.964 381 S CB -0.162 63.154 63.200 0.193 0.000 0.763 381 S HN 0.181 nan 8.310 nan 0.000 0.512 382 L N 0.074 120.985 121.223 -0.519 0.000 2.130 382 L HA 0.192 4.532 4.340 0.001 0.000 0.200 382 L C 2.853 179.475 176.870 -0.413 0.000 1.075 382 L CA 0.742 55.114 54.840 -0.782 0.000 0.768 382 L CB -0.521 40.959 42.059 -0.966 0.000 0.933 382 L HN 0.161 nan 8.230 nan 0.000 0.451 383 R N 0.331 120.591 120.500 -0.400 0.000 2.139 383 R HA -0.165 4.176 4.340 0.001 0.000 0.243 383 R C 2.112 178.368 176.300 -0.074 0.000 1.145 383 R CA 1.480 57.486 56.100 -0.155 0.000 0.976 383 R CB -0.383 29.811 30.300 -0.177 0.000 0.866 383 R HN 0.455 nan 8.270 nan 0.000 0.449 384 G N -0.665 108.078 108.800 -0.095 0.000 2.494 384 G HA2 -0.006 3.955 3.960 0.001 0.000 0.216 384 G HA3 -0.006 3.955 3.960 0.001 0.000 0.216 384 G C 0.631 175.532 174.900 0.003 0.000 1.140 384 G CA 0.416 45.500 45.100 -0.027 0.000 0.801 384 G HN 0.431 nan 8.290 nan 0.000 0.536 385 G N -0.501 108.281 108.800 -0.029 0.000 2.651 385 G HA2 0.395 4.355 3.960 0.001 0.000 0.260 385 G HA3 0.395 4.355 3.960 0.001 0.000 0.260 385 G C 0.799 175.694 174.900 -0.009 0.000 1.216 385 G CA -0.482 44.625 45.100 0.012 0.000 0.913 385 G HN 0.079 nan 8.290 nan 0.000 0.535 386 R N -0.791 119.721 120.500 0.021 0.000 2.123 386 R HA 0.166 4.506 4.340 0.001 0.000 0.209 386 R C 0.996 177.307 176.300 0.019 0.000 1.078 386 R CA -0.380 55.733 56.100 0.023 0.000 1.028 386 R CB -1.317 29.000 30.300 0.029 0.000 0.939 386 R HN 0.519 nan 8.270 nan 0.000 0.463 387 L N 3.479 124.711 121.223 0.016 0.000 3.709 387 L HA -0.185 4.155 4.340 0.001 0.000 0.626 387 L C -0.111 176.766 176.870 0.012 0.000 1.119 387 L CA 0.565 55.412 54.840 0.011 0.000 0.996 387 L CB -1.800 40.256 42.059 -0.005 0.000 1.327 387 L HN 0.352 nan 8.230 nan 0.000 0.808 388 T N -2.412 112.150 114.554 0.014 0.000 2.906 388 T HA 0.040 4.391 4.350 0.001 0.000 0.320 388 T C 1.055 175.753 174.700 -0.004 0.000 1.088 388 T CA -0.267 61.837 62.100 0.007 0.000 1.120 388 T CB 0.812 69.687 68.868 0.012 0.000 1.000 388 T HN 0.508 nan 8.240 nan 0.000 0.550 389 E N 0.971 121.164 120.200 -0.011 0.000 2.499 389 E HA 0.004 4.354 4.350 0.001 0.000 0.207 389 E C 1.423 178.018 176.600 -0.008 0.000 1.175 389 E CA 0.365 56.752 56.400 -0.021 0.000 0.932 389 E CB -0.414 29.279 29.700 -0.012 0.000 0.906 389 E HN 0.779 nan 8.360 nan 0.000 0.556 390 A N -0.916 121.905 122.820 0.000 0.000 2.140 390 A HA 0.054 4.374 4.320 0.001 0.000 0.199 390 A C 1.905 179.494 177.584 0.010 0.000 1.416 390 A CA -0.302 51.741 52.037 0.010 0.000 1.018 390 A CB -0.139 18.872 19.000 0.018 0.000 1.117 390 A HN 0.349 nan 8.150 nan 0.000 0.480 391 C N -0.168 119.140 119.300 0.013 0.000 2.422 391 C HA 0.033 4.493 4.460 0.001 0.000 0.279 391 C C 2.223 177.222 174.990 0.016 0.000 1.305 391 C CA 1.263 60.295 59.018 0.024 0.000 1.757 391 C CB -1.023 26.737 27.740 0.033 0.000 1.962 391 C HN 0.612 nan 8.230 nan 0.000 0.499 392 I N -0.541 120.025 120.570 -0.006 0.000 3.783 392 I HA 0.028 4.198 4.170 0.001 0.000 0.310 392 I C 2.567 178.657 176.117 -0.045 0.000 1.274 392 I CA 0.219 61.507 61.300 -0.019 0.000 1.294 392 I CB -0.533 37.438 38.000 -0.049 0.000 1.051 392 I HN 0.188 nan 8.210 nan 0.000 0.435 393 R N 2.051 122.519 120.500 -0.052 0.000 2.081 393 R HA -0.123 4.217 4.340 0.001 0.000 0.235 393 R C -0.590 175.683 176.300 -0.046 0.000 1.131 393 R CA 1.789 57.834 56.100 -0.091 0.000 0.960 393 R CB -1.417 28.843 30.300 -0.065 0.000 0.856 393 R HN 0.198 nan 8.270 nan 0.000 0.436 394 P HA -0.083 nan 4.420 nan 0.000 0.223 394 P C 0.922 178.233 177.300 0.019 0.000 1.144 394 P CA 1.178 64.283 63.100 0.008 0.000 0.783 394 P CB 0.039 31.740 31.700 0.001 0.000 0.771 395 V N -6.204 113.718 119.914 0.013 0.000 3.398 395 V HA 0.239 4.359 4.120 0.001 0.000 0.298 395 V C 1.683 177.778 176.094 0.002 0.000 1.496 395 V CA -0.127 62.184 62.300 0.018 0.000 1.044 395 V CB -0.532 31.318 31.823 0.044 0.000 0.880 395 V HN -0.099 nan 8.190 nan 0.000 0.443 396 E N 1.799 121.995 120.200 -0.007 0.000 2.113 396 E HA -0.312 4.038 4.350 0.001 0.000 0.210 396 E C 2.217 178.764 176.600 -0.088 0.000 1.040 396 E CA 2.462 58.853 56.400 -0.014 0.000 0.847 396 E CB -0.231 29.503 29.700 0.056 0.000 0.755 396 E HN 0.702 nan 8.360 nan 0.000 0.459 397 S N -0.008 115.700 115.700 0.014 0.000 2.344 397 S HA -0.191 4.280 4.470 0.001 0.000 0.217 397 S C 2.174 176.706 174.600 -0.112 0.000 1.033 397 S CA 1.721 59.852 58.200 -0.115 0.000 1.017 397 S CB -0.286 63.041 63.200 0.212 0.000 0.941 397 S HN 0.191 nan 8.310 nan 0.000 0.430 398 S N 1.894 117.563 115.700 -0.052 0.000 2.380 398 S HA -0.159 4.311 4.470 0.001 0.000 0.229 398 S C 1.840 176.526 174.600 0.143 0.000 1.050 398 S CA 1.896 60.040 58.200 -0.093 0.000 1.100 398 S CB -0.934 62.143 63.200 -0.205 0.000 0.984 398 S HN 0.491 nan 8.310 nan 0.000 0.434 399 L N 0.763 122.024 121.223 0.065 0.000 1.990 399 L HA -0.137 4.203 4.340 0.001 0.000 0.213 399 L C 2.345 179.209 176.870 -0.010 0.000 1.072 399 L CA 1.238 56.118 54.840 0.066 0.000 0.755 399 L CB -0.620 41.475 42.059 0.060 0.000 0.889 399 L HN 0.211 nan 8.230 nan 0.000 0.432 400 V N -0.302 119.516 119.914 -0.160 0.000 2.970 400 V HA -0.192 3.928 4.120 0.001 0.000 0.260 400 V C 2.586 178.545 176.094 -0.224 0.000 1.100 400 V CA 1.538 63.670 62.300 -0.281 0.000 1.122 400 V CB -0.148 31.312 31.823 -0.605 0.000 0.721 400 V HN 0.636 nan 8.190 nan 0.000 0.483 401 S N -0.765 114.876 115.700 -0.098 0.000 2.419 401 S HA -0.105 4.366 4.470 0.001 0.000 0.233 401 S C 1.659 176.384 174.600 0.208 0.000 1.016 401 S CA 1.675 59.903 58.200 0.047 0.000 0.974 401 S CB 0.063 63.393 63.200 0.216 0.000 0.786 401 S HN 0.350 nan 8.310 nan 0.000 0.492 402 V N 0.497 120.506 119.914 0.158 0.000 3.013 402 V HA 0.324 4.445 4.120 0.001 0.000 0.238 402 V C 1.968 178.160 176.094 0.163 0.000 1.161 402 V CA 0.535 62.934 62.300 0.164 0.000 1.170 402 V CB -0.173 31.658 31.823 0.014 0.000 0.917 402 V HN 0.418 nan 8.190 nan 0.000 0.478 403 L N 0.321 121.559 121.223 0.024 0.000 2.585 403 L HA 0.329 4.669 4.340 0.001 0.000 0.226 403 L C 1.997 178.903 176.870 0.060 0.000 1.113 403 L CA 0.746 55.598 54.840 0.021 0.000 0.876 403 L CB -0.286 41.749 42.059 -0.039 0.000 1.072 403 L HN 0.283 nan 8.230 nan 0.000 0.468 404 A N -0.995 121.771 122.820 -0.090 0.000 2.327 404 A HA 0.145 4.465 4.320 0.001 0.000 0.228 404 A C -0.099 177.264 177.584 -0.369 0.000 1.275 404 A CA 0.040 51.939 52.037 -0.229 0.000 0.875 404 A CB -0.711 18.089 19.000 -0.333 0.000 0.925 404 A HN 0.379 nan 8.150 nan 0.000 0.493 405 H N -0.401 118.729 119.070 0.101 0.000 2.747 405 H HA 0.434 4.990 4.556 0.001 0.000 0.371 405 H C -2.637 172.745 175.328 0.091 0.000 1.161 405 H CA -2.076 54.021 56.048 0.082 0.000 1.167 405 H CB 1.574 31.381 29.762 0.075 0.000 1.732 405 H HN 0.035 nan 8.280 nan 0.000 0.544 406 P HA -0.035 nan 4.420 nan 0.000 0.267 406 P C -2.061 175.147 177.300 -0.153 0.000 1.200 406 P CA -1.098 61.993 63.100 -0.014 0.000 0.772 406 P CB 0.785 32.478 31.700 -0.010 0.000 0.855 407 P HA 0.034 nan 4.420 nan 0.000 0.255 407 P C 0.679 177.805 177.300 -0.290 0.000 1.248 407 P CA 0.636 63.532 63.100 -0.341 0.000 0.807 407 P CB -0.054 31.422 31.700 -0.372 0.000 1.150 408 Y N 0.711 121.037 120.300 0.043 0.000 2.457 408 Y HA -0.071 4.480 4.550 0.001 0.000 0.292 408 Y C 2.485 178.403 175.900 0.030 0.000 1.125 408 Y CA 1.265 59.387 58.100 0.038 0.000 1.254 408 Y CB -1.414 37.073 38.460 0.046 0.000 1.012 408 Y HN 0.005 nan 8.280 nan 0.000 0.555 409 T N -1.384 113.249 114.554 0.131 0.000 3.077 409 T HA -0.215 4.135 4.350 0.001 0.000 0.269 409 T C 1.316 176.048 174.700 0.052 0.000 1.146 409 T CA 1.143 63.288 62.100 0.076 0.000 1.091 409 T CB -0.140 68.753 68.868 0.042 0.000 0.892 409 T HN 0.507 nan 8.240 nan 0.000 0.533 410 Q N 0.283 120.110 119.800 0.046 0.000 2.157 410 Q HA 0.350 4.691 4.340 0.001 0.000 0.229 410 Q C 0.225 176.248 176.000 0.039 0.000 0.827 410 Q CA -0.298 55.522 55.803 0.028 0.000 1.055 410 Q CB 0.485 29.226 28.738 0.005 0.000 1.157 410 Q HN 0.348 nan 8.270 nan 0.000 0.482 411 S N -0.427 115.313 115.700 0.066 0.000 2.423 411 S HA 0.565 5.035 4.470 0.001 0.000 0.244 411 S C 0.775 175.406 174.600 0.052 0.000 1.267 411 S CA 0.583 58.823 58.200 0.066 0.000 0.988 411 S CB 0.785 64.041 63.200 0.093 0.000 0.978 411 S HN 0.576 nan 8.310 nan 0.000 0.506 412 A N -1.086 121.766 122.820 0.053 0.000 1.773 412 A HA 0.328 4.649 4.320 0.001 0.000 0.210 412 A C 1.535 179.156 177.584 0.061 0.000 1.775 412 A CA -0.004 52.062 52.037 0.048 0.000 1.157 412 A CB -0.969 18.052 19.000 0.035 0.000 1.119 412 A HN 0.457 nan 8.150 nan 0.000 0.501 413 L N 1.150 122.409 121.223 0.059 0.000 1.934 413 L HA -0.203 4.137 4.340 0.001 0.000 0.227 413 L C 2.370 179.310 176.870 0.117 0.000 1.084 413 L CA 2.461 57.343 54.840 0.070 0.000 0.790 413 L CB -1.130 40.945 42.059 0.027 0.000 0.896 413 L HN 0.463 nan 8.230 nan 0.000 0.437 414 I N -1.187 119.443 120.570 0.100 0.000 2.145 414 I HA -0.401 3.769 4.170 0.001 0.000 0.244 414 I C 2.768 178.985 176.117 0.168 0.000 1.075 414 I CA 1.761 63.146 61.300 0.142 0.000 1.332 414 I CB -0.587 37.485 38.000 0.121 0.000 1.033 414 I HN 0.322 nan 8.210 nan 0.000 0.410 415 S N -0.031 115.740 115.700 0.118 0.000 2.359 415 S HA -0.236 4.234 4.470 0.001 0.000 0.224 415 S C 1.948 176.594 174.600 0.076 0.000 1.035 415 S CA 1.785 60.036 58.200 0.085 0.000 1.018 415 S CB -0.187 63.050 63.200 0.061 0.000 0.876 415 S HN 0.448 nan 8.310 nan 0.000 0.448 416 E N -1.234 119.022 120.200 0.093 0.000 2.072 416 E HA -0.125 4.226 4.350 0.001 0.000 0.190 416 E C 1.720 178.378 176.600 0.097 0.000 0.982 416 E CA 0.988 57.434 56.400 0.077 0.000 0.803 416 E CB -0.202 29.546 29.700 0.079 0.000 0.755 416 E HN 0.728 nan 8.360 nan 0.000 0.453 417 W N 1.254 122.538 121.300 -0.027 0.000 2.388 417 W HA -0.130 4.531 4.660 0.001 0.000 0.294 417 W C 1.794 178.286 176.519 -0.045 0.000 1.212 417 W CA 0.786 58.106 57.345 -0.042 0.000 1.271 417 W CB -0.103 29.324 29.460 -0.055 0.000 1.126 417 W HN 0.016 nan 8.180 nan 0.000 0.535 418 L N 0.825 122.092 121.223 0.075 0.000 2.017 418 L HA -0.092 4.248 4.340 0.001 0.000 0.208 418 L C 2.427 179.184 176.870 -0.188 0.000 1.073 418 L CA 2.336 57.121 54.840 -0.092 0.000 0.745 418 L CB -1.830 40.251 42.059 0.037 0.000 0.894 418 L HN 0.277 nan 8.230 nan 0.000 0.432 419 G N 1.263 109.999 108.800 -0.106 0.000 2.863 419 G HA2 -0.349 3.611 3.960 0.001 0.000 0.248 419 G HA3 -0.349 3.611 3.960 0.001 0.000 0.248 419 G C -0.560 174.263 174.900 -0.128 0.000 1.155 419 G CA 1.499 46.541 45.100 -0.097 0.000 0.752 419 G HN 0.367 nan 8.290 nan 0.000 0.666 420 P HA -0.057 nan 4.420 nan 0.000 0.215 420 P C 2.214 179.409 177.300 -0.175 0.000 1.157 420 P CA 2.032 65.032 63.100 -0.166 0.000 0.863 420 P CB -0.499 31.075 31.700 -0.209 0.000 0.787 421 V N 0.957 120.688 119.914 -0.304 0.000 2.250 421 V HA -0.292 3.828 4.120 0.001 0.000 0.250 421 V C 2.993 179.027 176.094 -0.101 0.000 1.060 421 V CA 2.265 64.402 62.300 -0.271 0.000 1.030 421 V CB -1.696 29.862 31.823 -0.440 0.000 0.643 421 V HN 0.174 nan 8.190 nan 0.000 0.445 422 Q N -0.508 119.241 119.800 -0.085 0.000 2.124 422 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 422 Q C 2.368 178.448 176.000 0.133 0.000 0.977 422 Q CA 1.946 57.767 55.803 0.030 0.000 0.850 422 Q CB -0.067 28.656 28.738 -0.026 0.000 0.901 422 Q HN 0.740 nan 8.270 nan 0.000 0.429 423 E N -0.176 120.055 120.200 0.052 0.000 2.077 423 E HA -0.193 4.157 4.350 0.001 0.000 0.193 423 E C 2.124 178.805 176.600 0.135 0.000 0.989 423 E CA 0.746 57.197 56.400 0.084 0.000 0.800 423 E CB 0.023 29.738 29.700 0.024 0.000 0.746 423 E HN 0.200 nan 8.360 nan 0.000 0.452 424 R N -0.170 120.385 120.500 0.092 0.000 2.073 424 R HA -0.158 4.182 4.340 0.001 0.000 0.234 424 R C 2.219 178.618 176.300 0.165 0.000 1.134 424 R CA 1.301 57.476 56.100 0.126 0.000 0.952 424 R CB -0.326 29.972 30.300 -0.002 0.000 0.850 424 R HN 0.142 nan 8.270 nan 0.000 0.433 425 F N 0.731 120.668 119.950 -0.023 0.000 2.027 425 F HA -0.329 4.198 4.527 0.001 0.000 0.297 425 F C 1.929 177.803 175.800 0.124 0.000 1.129 425 F CA 1.804 59.810 58.000 0.010 0.000 1.195 425 F CB -0.904 38.103 39.000 0.011 0.000 0.960 425 F HN 0.002 nan 8.300 nan 0.000 0.485 426 F N 0.998 120.876 119.950 -0.120 0.000 2.043 426 F HA -0.210 4.317 4.527 0.001 0.000 0.297 426 F C 2.441 178.088 175.800 -0.255 0.000 1.121 426 F CA 1.984 59.824 58.000 -0.267 0.000 1.199 426 F CB -1.353 37.554 39.000 -0.156 0.000 0.968 426 F HN 0.097 nan 8.300 nan 0.000 0.478 427 A N -0.126 122.596 122.820 -0.164 0.000 1.873 427 A HA -0.282 4.038 4.320 0.001 0.000 0.218 427 A C 2.268 179.672 177.584 -0.300 0.000 1.193 427 A CA 2.073 53.943 52.037 -0.278 0.000 0.629 427 A CB -1.606 17.343 19.000 -0.084 0.000 0.826 427 A HN 0.681 nan 8.150 nan 0.000 0.447 428 H N -1.361 117.557 119.070 -0.253 0.000 2.353 428 H HA -0.183 4.373 4.556 0.001 0.000 0.298 428 H C 2.404 177.555 175.328 -0.295 0.000 1.103 428 H CA 2.081 57.993 56.048 -0.226 0.000 1.293 428 H CB -0.000 29.676 29.762 -0.143 0.000 1.372 428 H HN 0.518 nan 8.280 nan 0.000 0.501 429 Q N 0.044 119.675 119.800 -0.282 0.000 2.079 429 Q HA -0.093 4.247 4.340 0.001 0.000 0.200 429 Q C 2.684 178.521 176.000 -0.273 0.000 0.974 429 Q CA 1.160 56.805 55.803 -0.262 0.000 0.840 429 Q CB -0.385 28.144 28.738 -0.349 0.000 0.898 429 Q HN 0.395 nan 8.270 nan 0.000 0.430 430 C N 0.269 119.261 119.300 -0.515 0.000 2.425 430 C HA -0.141 4.319 4.460 0.001 0.000 0.277 430 C C 2.451 177.282 174.990 -0.266 0.000 1.280 430 C CA 0.653 59.364 59.018 -0.512 0.000 1.744 430 C CB -0.819 26.300 27.740 -1.034 0.000 1.989 430 C HN 0.566 nan 8.230 nan 0.000 0.491 431 Q N 0.024 119.662 119.800 -0.271 0.000 2.046 431 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 431 Q C 2.217 178.103 176.000 -0.189 0.000 0.975 431 Q CA 1.964 57.649 55.803 -0.197 0.000 0.836 431 Q CB -0.433 28.167 28.738 -0.230 0.000 0.896 431 Q HN 0.638 nan 8.270 nan 0.000 0.428 432 T N -0.649 113.750 114.554 -0.258 0.000 2.942 432 T HA -0.064 4.286 4.350 0.001 0.000 0.265 432 T C 0.770 175.200 174.700 -0.450 0.000 1.062 432 T CA 1.005 62.858 62.100 -0.411 0.000 1.139 432 T CB -0.023 68.476 68.868 -0.614 0.000 0.883 432 T HN 0.321 nan 8.240 nan 0.000 0.468 433 Y N 0.065 120.326 120.300 -0.065 0.000 2.588 433 Y HA 0.329 4.880 4.550 0.001 0.000 0.247 433 Y C 1.865 177.752 175.900 -0.023 0.000 1.157 433 Y CA -0.739 57.338 58.100 -0.038 0.000 1.215 433 Y CB 0.338 38.787 38.460 -0.017 0.000 1.245 433 Y HN 0.058 nan 8.280 nan 0.000 0.534 434 N N 0.709 119.462 118.700 0.088 0.000 2.250 434 N HA -0.122 4.619 4.740 0.001 0.000 0.181 434 N C 0.654 176.188 175.510 0.039 0.000 1.017 434 N CA 1.624 54.727 53.050 0.088 0.000 0.866 434 N CB 0.142 38.689 38.487 0.101 0.000 0.985 434 N HN 0.097 nan 8.380 nan 0.000 0.429 435 D N -0.551 119.853 120.400 0.007 0.000 2.368 435 D HA 0.220 4.861 4.640 0.001 0.000 0.218 435 D C -0.811 175.472 176.300 -0.028 0.000 1.112 435 D CA 0.103 54.086 54.000 -0.028 0.000 0.834 435 D CB 0.999 41.776 40.800 -0.038 0.000 0.953 435 D HN -0.059 nan 8.370 nan 0.000 0.505 436 V N 1.170 121.096 119.914 0.021 0.000 2.851 436 V HA 0.271 4.391 4.120 0.001 0.000 0.307 436 V C -2.534 173.642 176.094 0.137 0.000 1.129 436 V CA -1.991 60.348 62.300 0.065 0.000 0.932 436 V CB 3.145 35.009 31.823 0.068 0.000 1.024 436 V HN -0.192 nan 8.190 nan 0.000 0.426 437 P HA 0.221 nan 4.420 nan 0.000 0.267 437 P C -0.511 176.771 177.300 -0.029 0.000 1.209 437 P CA 0.025 63.140 63.100 0.026 0.000 0.763 437 P CB 0.384 32.101 31.700 0.029 0.000 0.816 438 L N 6.865 127.960 121.223 -0.213 0.000 2.410 438 L HA 0.194 4.535 4.340 0.001 0.000 0.273 438 L C -1.758 174.897 176.870 -0.358 0.000 1.144 438 L CA -1.745 52.758 54.840 -0.561 0.000 0.863 438 L CB -0.041 41.670 42.059 -0.580 0.000 1.140 438 L HN 0.234 nan 8.230 nan 0.000 0.463 439 P HA -0.065 nan 4.420 nan 0.000 0.261 439 P C -0.558 176.531 177.300 -0.351 0.000 1.173 439 P CA -0.103 62.847 63.100 -0.251 0.000 0.760 439 P CB 0.474 32.049 31.700 -0.208 0.000 0.783 440 A N 6.895 129.579 122.820 -0.227 0.000 2.563 440 A HA 0.109 4.430 4.320 0.001 0.000 0.256 440 A C -1.705 175.697 177.584 -0.305 0.000 1.056 440 A CA -0.658 51.232 52.037 -0.245 0.000 0.775 440 A CB -1.175 17.786 19.000 -0.065 0.000 0.973 440 A HN 0.397 nan 8.150 nan 0.000 0.516 441 P HA 0.102 nan 4.420 nan 0.000 0.267 441 P C -0.507 176.748 177.300 -0.074 0.000 1.209 441 P CA -0.085 62.830 63.100 -0.308 0.000 0.763 441 P CB 0.708 32.297 31.700 -0.186 0.000 0.816 442 D N 1.295 121.698 120.400 0.006 0.000 2.398 442 D HA 0.006 4.646 4.640 0.001 0.000 0.264 442 D C 1.292 177.664 176.300 0.121 0.000 1.263 442 D CA -0.274 53.770 54.000 0.072 0.000 1.037 442 D CB -0.741 40.118 40.800 0.099 0.000 1.101 442 D HN 0.227 nan 8.370 nan 0.000 0.551 443 T N -2.430 112.195 114.554 0.118 0.000 2.915 443 T HA -0.170 4.181 4.350 0.001 0.000 0.269 443 T C 1.510 176.290 174.700 0.134 0.000 1.071 443 T CA 1.234 63.396 62.100 0.103 0.000 1.132 443 T CB -0.705 68.210 68.868 0.079 0.000 0.878 443 T HN 0.441 nan 8.240 nan 0.000 0.479 444 Y N -0.087 120.245 120.300 0.054 0.000 2.153 444 Y HA -0.046 4.504 4.550 0.000 0.000 0.289 444 Y C 2.080 178.029 175.900 0.083 0.000 1.127 444 Y CA 1.354 59.485 58.100 0.052 0.000 1.131 444 Y CB -0.847 37.637 38.460 0.041 0.000 0.995 444 Y HN 0.263 nan 8.280 nan 0.000 0.505 445 Y N 1.578 121.825 120.300 -0.088 0.000 2.151 445 Y HA -0.348 4.202 4.550 0.001 0.000 0.284 445 Y C 2.580 178.389 175.900 -0.152 0.000 1.166 445 Y CA 2.520 60.511 58.100 -0.181 0.000 1.163 445 Y CB -0.441 38.003 38.460 -0.026 0.000 0.974 445 Y HN 0.328 nan 8.280 nan 0.000 0.511 446 Q N -0.874 118.972 119.800 0.077 0.000 2.224 446 Q HA -0.228 4.113 4.340 0.001 0.000 0.203 446 Q C 2.005 177.973 176.000 -0.053 0.000 0.970 446 Q CA 1.644 57.464 55.803 0.028 0.000 0.865 446 Q CB -0.050 28.715 28.738 0.044 0.000 0.922 446 Q HN 0.641 nan 8.270 nan 0.000 0.445 447 Q N -1.059 118.679 119.800 -0.103 0.000 2.391 447 Q HA 0.098 4.438 4.340 0.001 0.000 0.211 447 Q C 1.271 177.143 176.000 -0.214 0.000 0.908 447 Q CA 0.321 56.045 55.803 -0.131 0.000 0.920 447 Q CB 0.669 29.349 28.738 -0.096 0.000 1.056 447 Q HN 0.155 nan 8.270 nan 0.000 0.523 448 R N -1.098 119.223 120.500 -0.299 0.000 2.453 448 R HA 0.211 4.551 4.340 0.001 0.000 0.233 448 R C 1.362 177.553 176.300 -0.182 0.000 0.895 448 R CA 0.010 55.969 56.100 -0.235 0.000 1.028 448 R CB 0.853 30.931 30.300 -0.370 0.000 1.255 448 R HN 0.082 nan 8.270 nan 0.000 0.571 449 I N 0.629 120.942 120.570 -0.428 0.000 2.947 449 I HA -0.013 4.157 4.170 0.001 0.000 0.263 449 I C 2.185 178.153 176.117 -0.248 0.000 1.130 449 I CA 0.815 61.832 61.300 -0.471 0.000 1.448 449 I CB -0.822 36.517 38.000 -1.103 0.000 1.222 449 I HN 0.067 nan 8.210 nan 0.000 0.453 450 L N 1.352 122.434 121.223 -0.235 0.000 2.013 450 L HA -0.186 4.154 4.340 0.001 0.000 0.212 450 L C -0.155 176.734 176.870 0.032 0.000 1.073 450 L CA 2.059 56.876 54.840 -0.039 0.000 0.753 450 L CB -2.080 39.979 42.059 0.000 0.000 0.890 450 L HN 0.144 nan 8.230 nan 0.000 0.432 451 P HA -0.185 nan 4.420 nan 0.000 0.216 451 P C 1.926 179.256 177.300 0.050 0.000 1.157 451 P CA 1.441 64.588 63.100 0.078 0.000 0.880 451 P CB -0.017 31.804 31.700 0.202 0.000 0.791 452 V N -0.839 119.079 119.914 0.007 0.000 2.343 452 V HA -0.225 3.895 4.120 0.001 0.000 0.247 452 V C 2.479 178.656 176.094 0.138 0.000 1.051 452 V CA 1.618 63.913 62.300 -0.008 0.000 1.036 452 V CB -1.287 30.486 31.823 -0.084 0.000 0.654 452 V HN 0.080 nan 8.190 nan 0.000 0.451 453 L N -0.841 120.530 121.223 0.246 0.000 2.083 453 L HA -0.171 4.169 4.340 0.001 0.000 0.209 453 L C 2.429 179.567 176.870 0.448 0.000 1.083 453 L CA 1.374 56.459 54.840 0.409 0.000 0.752 453 L CB -0.537 41.808 42.059 0.476 0.000 0.899 453 L HN 0.307 nan 8.230 nan 0.000 0.433 454 L N -0.252 121.137 121.223 0.277 0.000 1.989 454 L HA -0.287 4.053 4.340 0.001 0.000 0.211 454 L C 2.298 179.280 176.870 0.187 0.000 1.071 454 L CA 1.808 56.791 54.840 0.238 0.000 0.749 454 L CB -0.661 41.471 42.059 0.122 0.000 0.890 454 L HN 0.306 nan 8.230 nan 0.000 0.431 455 D N -0.358 120.095 120.400 0.088 0.000 2.126 455 D HA -0.202 4.438 4.640 0.001 0.000 0.190 455 D C 2.205 178.473 176.300 -0.054 0.000 1.001 455 D CA 1.840 55.849 54.000 0.016 0.000 0.841 455 D CB 0.115 40.900 40.800 -0.026 0.000 0.949 455 D HN 0.115 nan 8.370 nan 0.000 0.446 456 S N -1.203 114.406 115.700 -0.153 0.000 2.356 456 S HA -0.117 4.353 4.470 0.001 0.000 0.223 456 S C 1.795 176.020 174.600 -0.624 0.000 1.032 456 S CA 0.784 58.666 58.200 -0.531 0.000 1.005 456 S CB -0.517 62.109 63.200 -0.957 0.000 0.867 456 S HN 0.316 nan 8.310 nan 0.000 0.449 457 F N 1.954 121.713 119.950 -0.318 0.000 2.171 457 F HA -0.127 4.401 4.527 0.001 0.000 0.300 457 F C 2.494 178.275 175.800 -0.031 0.000 1.090 457 F CA 1.233 59.193 58.000 -0.067 0.000 1.293 457 F CB -0.335 38.807 39.000 0.236 0.000 1.013 457 F HN 0.217 nan 8.300 nan 0.000 0.486 458 D N 0.433 120.933 120.400 0.166 0.000 2.092 458 D HA -0.169 4.471 4.640 0.001 0.000 0.193 458 D C 1.971 178.289 176.300 0.030 0.000 0.994 458 D CA 1.206 55.269 54.000 0.105 0.000 0.828 458 D CB -0.043 40.808 40.800 0.085 0.000 0.963 458 D HN 0.248 nan 8.370 nan 0.000 0.450 459 R N -0.072 120.406 120.500 -0.036 0.000 2.323 459 R HA 0.092 4.433 4.340 0.001 0.000 0.198 459 R C 0.182 176.440 176.300 -0.070 0.000 0.988 459 R CA 0.252 56.319 56.100 -0.056 0.000 1.041 459 R CB 0.222 30.472 30.300 -0.083 0.000 0.926 459 R HN 0.060 nan 8.270 nan 0.000 0.476 460 N N -0.254 118.398 118.700 -0.080 0.000 2.687 460 N HA -0.000 4.740 4.740 0.001 0.000 0.275 460 N C 0.172 175.691 175.510 0.015 0.000 1.789 460 N CA 0.033 53.049 53.050 -0.057 0.000 0.806 460 N CB 1.496 39.899 38.487 -0.140 0.000 1.256 460 N HN 0.048 nan 8.380 nan 0.000 0.500 461 S N -0.423 115.302 115.700 0.040 0.000 2.420 461 S HA -0.219 4.251 4.470 0.001 0.000 0.237 461 S C 2.053 176.687 174.600 0.056 0.000 1.023 461 S CA 1.103 59.341 58.200 0.064 0.000 0.991 461 S CB -0.022 63.221 63.200 0.072 0.000 0.792 461 S HN 0.389 nan 8.310 nan 0.000 0.488 462 A N 2.549 125.405 122.820 0.060 0.000 1.908 462 A HA 0.347 4.668 4.320 0.001 0.000 0.218 462 A C 1.679 179.299 177.584 0.061 0.000 1.181 462 A CA 1.238 53.307 52.037 0.053 0.000 0.627 462 A CB -1.464 17.570 19.000 0.058 0.000 0.818 462 A HN 0.974 nan 8.150 nan 0.000 0.445 466 T N 0.525 115.004 114.554 -0.125 0.000 3.169 466 T HA 0.099 4.449 4.350 0.001 0.000 0.250 466 T C 0.386 174.705 174.700 -0.635 0.000 1.111 466 T CA 0.380 62.296 62.100 -0.308 0.000 1.010 466 T CB -0.259 68.416 68.868 -0.321 0.000 0.984 466 T HN 0.514 nan 8.240 nan 0.000 0.537 467 H N 0.357 119.495 119.070 0.113 0.000 2.924 467 H HA 0.363 4.919 4.556 0.001 0.000 0.229 467 H C 1.595 177.090 175.328 0.280 0.000 1.345 467 H CA 0.162 56.303 56.048 0.155 0.000 1.044 467 H CB 0.443 30.282 29.762 0.128 0.000 2.221 467 H HN 0.397 nan 8.280 nan 0.000 0.574 468 S N 1.022 116.892 115.700 0.283 0.000 2.381 468 S HA -0.218 4.252 4.470 0.001 0.000 0.230 468 S C 2.363 177.149 174.600 0.309 0.000 1.052 468 S CA 2.014 60.425 58.200 0.351 0.000 1.068 468 S CB -0.400 62.971 63.200 0.284 0.000 0.918 468 S HN 0.594 nan 8.310 nan 0.000 0.448 469 G N 1.916 110.840 108.800 0.207 0.000 2.672 469 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 469 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 469 G C 1.434 176.434 174.900 0.167 0.000 1.238 469 G CA 1.342 46.520 45.100 0.131 0.000 0.791 469 G HN 0.615 nan 8.290 nan 0.000 0.606 470 L N -0.350 121.028 121.223 0.258 0.000 2.046 470 L HA 0.109 4.450 4.340 0.001 0.000 0.208 470 L C 2.508 179.562 176.870 0.306 0.000 1.077 470 L CA 1.822 56.841 54.840 0.299 0.000 0.747 470 L CB -0.646 41.629 42.059 0.360 0.000 0.896 470 L HN 0.298 nan 8.230 nan 0.000 0.432 471 F N 0.451 120.505 119.950 0.174 0.000 2.010 471 F HA -0.328 4.199 4.527 0.001 0.000 0.296 471 F C 2.447 178.148 175.800 -0.165 0.000 1.146 471 F CA 2.211 60.057 58.000 -0.257 0.000 1.181 471 F CB -0.402 38.510 39.000 -0.148 0.000 0.965 471 F HN 0.229 nan 8.300 nan 0.000 0.480 472 N N 0.323 118.983 118.700 -0.067 0.000 2.037 472 N HA -0.282 4.459 4.740 0.001 0.000 0.196 472 N C 1.777 177.174 175.510 -0.188 0.000 1.034 472 N CA 2.116 55.103 53.050 -0.105 0.000 0.861 472 N CB -0.696 37.854 38.487 0.104 0.000 1.039 472 N HN 0.555 nan 8.380 nan 0.000 0.427 473 Q N 0.623 120.349 119.800 -0.124 0.000 1.978 473 Q HA -0.183 4.158 4.340 0.001 0.000 0.211 473 Q C 2.316 178.273 176.000 -0.072 0.000 1.013 473 Q CA 1.915 57.649 55.803 -0.114 0.000 0.869 473 Q CB -0.474 28.268 28.738 0.008 0.000 0.953 473 Q HN 0.187 nan 8.270 nan 0.000 0.415 474 V N 0.655 120.548 119.914 -0.035 0.000 2.277 474 V HA -0.314 3.806 4.120 0.001 0.000 0.253 474 V C 2.190 178.188 176.094 -0.159 0.000 1.067 474 V CA 1.880 64.160 62.300 -0.034 0.000 1.047 474 V CB -0.584 31.207 31.823 -0.053 0.000 0.649 474 V HN 0.286 nan 8.190 nan 0.000 0.447 475 I N -0.847 119.505 120.570 -0.363 0.000 2.090 475 I HA -0.200 3.971 4.170 0.001 0.000 0.236 475 I C 2.257 178.249 176.117 -0.207 0.000 1.064 475 I CA 1.517 62.600 61.300 -0.362 0.000 1.324 475 I CB -0.820 36.859 38.000 -0.535 0.000 1.044 475 I HN 0.271 nan 8.210 nan 0.000 0.399 476 L N -0.003 121.145 121.223 -0.125 0.000 2.064 476 L HA -0.318 4.022 4.340 0.001 0.000 0.216 476 L C 2.593 179.330 176.870 -0.221 0.000 1.077 476 L CA 2.092 56.827 54.840 -0.175 0.000 0.766 476 L CB -0.792 40.911 42.059 -0.594 0.000 0.890 476 L HN 0.362 nan 8.230 nan 0.000 0.435 477 H N -1.231 117.768 119.070 -0.118 0.000 2.428 477 H HA 0.046 4.603 4.556 0.001 0.000 0.296 477 H C 1.463 176.744 175.328 -0.078 0.000 1.062 477 H CA 0.720 56.718 56.048 -0.083 0.000 1.350 477 H CB -0.611 29.119 29.762 -0.054 0.000 1.403 477 H HN 0.406 nan 8.280 nan 0.000 0.533 481 G N 1.718 110.533 108.800 0.025 0.000 2.321 481 G HA2 0.292 4.252 3.960 0.001 0.000 0.237 481 G HA3 0.292 4.252 3.960 0.001 0.000 0.237 481 G C 1.191 176.098 174.900 0.012 0.000 1.282 481 G CA 0.336 45.456 45.100 0.033 0.000 0.886 481 G HN 0.336 nan 8.290 nan 0.000 0.528 482 V N 1.550 121.474 119.914 0.017 0.000 2.591 482 V HA -0.041 4.079 4.120 0.001 0.000 0.249 482 V C 1.554 177.651 176.094 0.006 0.000 1.053 482 V CA 1.510 63.816 62.300 0.010 0.000 1.068 482 V CB -0.219 31.613 31.823 0.015 0.000 0.689 482 V HN 0.591 nan 8.190 nan 0.000 0.462 483 D N -0.544 119.862 120.400 0.010 0.000 2.342 483 D HA 0.140 4.781 4.640 0.001 0.000 0.221 483 D C 0.235 176.531 176.300 -0.006 0.000 1.101 483 D CA 0.118 54.122 54.000 0.006 0.000 0.837 483 D CB 0.036 40.846 40.800 0.016 0.000 0.938 483 D HN 0.375 nan 8.370 nan 0.000 0.508 484 C N 1.895 121.189 119.300 -0.010 0.000 2.540 484 C HA 0.119 4.579 4.460 0.001 0.000 0.377 484 C C 1.376 176.350 174.990 -0.028 0.000 1.274 484 C CA -0.717 58.288 59.018 -0.022 0.000 1.718 484 C CB -1.009 26.713 27.740 -0.029 0.000 2.391 484 C HN 0.236 nan 8.230 nan 0.000 0.565 485 T N 2.706 117.242 114.554 -0.030 0.000 2.872 485 T HA -0.105 4.246 4.350 0.001 0.000 0.292 485 T C 1.023 175.705 174.700 -0.029 0.000 1.036 485 T CA 0.532 62.615 62.100 -0.028 0.000 1.136 485 T CB 0.148 68.997 68.868 -0.031 0.000 1.052 485 T HN 0.735 nan 8.240 nan 0.000 0.512 486 D N 3.462 123.847 120.400 -0.026 0.000 2.190 486 D HA -0.018 4.623 4.640 0.001 0.000 0.200 486 D C 2.176 178.459 176.300 -0.028 0.000 0.992 486 D CA 1.626 55.609 54.000 -0.028 0.000 0.854 486 D CB -0.614 40.175 40.800 -0.018 0.000 0.936 486 D HN 0.768 nan 8.370 nan 0.000 0.462 487 G N -0.029 108.760 108.800 -0.018 0.000 2.476 487 G HA2 -0.313 3.647 3.960 0.001 0.000 0.218 487 G HA3 -0.313 3.647 3.960 0.001 0.000 0.218 487 G C 1.735 176.626 174.900 -0.015 0.000 1.164 487 G CA 1.568 46.662 45.100 -0.010 0.000 0.768 487 G HN 0.230 nan 8.290 nan 0.000 0.560 488 T N 0.158 114.700 114.554 -0.020 0.000 2.607 488 T HA -0.157 4.193 4.350 0.001 0.000 0.267 488 T C 2.350 177.010 174.700 -0.067 0.000 1.049 488 T CA 1.487 63.569 62.100 -0.029 0.000 1.162 488 T CB -0.204 68.646 68.868 -0.030 0.000 0.863 488 T HN 0.272 nan 8.240 nan 0.000 0.424 489 R N 0.557 121.003 120.500 -0.089 0.000 2.139 489 R HA -0.154 4.186 4.340 0.001 0.000 0.243 489 R C 2.585 178.794 176.300 -0.153 0.000 1.145 489 R CA 1.664 57.673 56.100 -0.151 0.000 0.976 489 R CB -0.148 30.073 30.300 -0.132 0.000 0.866 489 R HN 0.510 nan 8.270 nan 0.000 0.449 490 Q N 0.204 119.956 119.800 -0.079 0.000 2.062 490 Q HA -0.168 4.172 4.340 0.001 0.000 0.196 490 Q C 1.935 177.922 176.000 -0.021 0.000 0.967 490 Q CA 1.441 57.218 55.803 -0.043 0.000 0.832 490 Q CB 0.055 28.786 28.738 -0.011 0.000 0.899 490 Q HN 0.149 nan 8.270 nan 0.000 0.442 491 K N -0.355 120.039 120.400 -0.011 0.000 2.147 491 K HA -0.116 4.204 4.320 0.001 0.000 0.205 491 K C 1.815 178.426 176.600 0.019 0.000 1.049 491 K CA 1.067 57.367 56.287 0.020 0.000 0.936 491 K CB -0.098 32.420 32.500 0.029 0.000 0.722 491 K HN 0.273 nan 8.250 nan 0.000 0.446 492 A N 0.756 123.546 122.820 -0.050 0.000 1.929 492 A HA 0.001 4.322 4.320 0.001 0.000 0.216 492 A C 2.263 179.786 177.584 -0.101 0.000 1.176 492 A CA 1.455 53.430 52.037 -0.103 0.000 0.628 492 A CB -0.601 18.275 19.000 -0.207 0.000 0.816 492 A HN 0.418 nan 8.150 nan 0.000 0.444 493 A N 0.143 122.875 122.820 -0.147 0.000 1.877 493 A HA 0.154 4.475 4.320 0.001 0.000 0.216 493 A C 2.521 180.219 177.584 0.191 0.000 1.186 493 A CA 2.136 54.148 52.037 -0.041 0.000 0.620 493 A CB -1.118 17.827 19.000 -0.092 0.000 0.822 493 A HN 1.018 nan 8.150 nan 0.000 0.443 494 A N -0.098 122.801 122.820 0.131 0.000 1.851 494 A HA -0.135 4.185 4.320 0.001 0.000 0.216 494 A C 2.157 179.867 177.584 0.210 0.000 1.195 494 A CA 1.658 53.790 52.037 0.158 0.000 0.622 494 A CB -0.814 18.252 19.000 0.109 0.000 0.831 494 A HN 0.481 nan 8.150 nan 0.000 0.444 495 L N -2.267 119.089 121.223 0.221 0.000 2.187 495 L HA -0.206 4.134 4.340 0.001 0.000 0.213 495 L C 2.528 179.678 176.870 0.467 0.000 1.100 495 L CA 1.428 56.458 54.840 0.317 0.000 0.765 495 L CB -0.464 41.804 42.059 0.348 0.000 0.904 495 L HN 0.586 nan 8.230 nan 0.000 0.437 496 Y N 0.519 120.984 120.300 0.276 0.000 2.373 496 Y HA -0.200 4.351 4.550 0.001 0.000 0.293 496 Y C 2.469 178.573 175.900 0.341 0.000 1.129 496 Y CA 1.226 59.521 58.100 0.326 0.000 1.226 496 Y CB 0.134 38.744 38.460 0.250 0.000 1.000 496 Y HN 0.123 nan 8.280 nan 0.000 0.549 497 E N -0.335 120.056 120.200 0.319 0.000 2.107 497 E HA -0.154 4.197 4.350 0.001 0.000 0.191 497 E C 2.040 178.720 176.600 0.134 0.000 0.982 497 E CA 0.982 57.502 56.400 0.200 0.000 0.809 497 E CB -0.022 29.793 29.700 0.192 0.000 0.756 497 E HN 0.455 nan 8.360 nan 0.000 0.459 498 Q N -0.364 119.537 119.800 0.167 0.000 1.857 498 Q HA -0.259 4.081 4.340 0.001 0.000 0.237 498 Q C 1.958 178.036 176.000 0.129 0.000 1.004 498 Q CA 1.895 57.782 55.803 0.139 0.000 0.881 498 Q CB -1.092 27.745 28.738 0.166 0.000 0.946 498 Q HN 0.393 nan 8.270 nan 0.000 0.421 499 Y N 1.340 121.640 120.300 0.000 0.000 2.130 499 Y HA -0.344 4.206 4.550 0.001 0.000 0.245 499 Y C 2.208 178.030 175.900 -0.130 0.000 1.287 499 Y CA 2.294 60.341 58.100 -0.088 0.000 1.047 499 Y CB -0.682 37.734 38.460 -0.074 0.000 0.849 499 Y HN 0.134 nan 8.280 nan 0.000 0.517 500 L N -0.862 120.325 121.223 -0.061 0.000 2.265 500 L HA -0.172 4.168 4.340 0.001 0.000 0.215 500 L C 2.253 179.027 176.870 -0.159 0.000 1.117 500 L CA 0.947 55.669 54.840 -0.197 0.000 0.782 500 L CB -0.578 41.373 42.059 -0.180 0.000 0.914 500 L HN 0.449 nan 8.230 nan 0.000 0.441 501 A N -2.220 120.554 122.820 -0.077 0.000 2.387 501 A HA 0.009 4.329 4.320 0.001 0.000 0.234 501 A C 0.442 177.982 177.584 -0.073 0.000 1.253 501 A CA -0.279 51.716 52.037 -0.069 0.000 0.894 501 A CB -0.578 18.403 19.000 -0.031 0.000 0.963 501 A HN 0.367 nan 8.150 nan 0.000 0.508 502 H N 1.193 120.158 119.070 -0.176 0.000 2.803 502 H HA 0.200 4.756 4.556 0.001 0.000 0.330 502 H C -1.394 173.831 175.328 -0.173 0.000 1.057 502 H CA -1.074 54.869 56.048 -0.175 0.000 1.458 502 H CB 1.199 30.819 29.762 -0.236 0.000 1.470 502 H HN 0.046 nan 8.280 nan 0.000 0.560 503 P HA -0.212 nan 4.420 nan 0.000 0.221 503 P C 0.803 178.067 177.300 -0.059 0.000 1.145 503 P CA 1.585 64.564 63.100 -0.202 0.000 0.795 503 P CB 0.078 31.622 31.700 -0.261 0.000 0.775 504 A N -0.548 122.371 122.820 0.165 0.000 2.014 504 A HA -0.025 4.295 4.320 0.001 0.000 0.218 504 A C 2.225 179.835 177.584 0.044 0.000 1.163 504 A CA 1.519 53.640 52.037 0.140 0.000 0.652 504 A CB -0.985 18.125 19.000 0.183 0.000 0.808 504 A HN 0.141 nan 8.150 nan 0.000 0.449 505 V N -1.738 118.158 119.914 -0.030 0.000 3.048 505 V HA -0.057 4.064 4.120 0.001 0.000 0.241 505 V C 2.388 178.406 176.094 -0.127 0.000 1.129 505 V CA 1.116 63.348 62.300 -0.114 0.000 1.128 505 V CB -0.371 31.199 31.823 -0.423 0.000 0.849 505 V HN 0.457 nan 8.190 nan 0.000 0.475 506 S N 1.644 117.254 115.700 -0.149 0.000 2.426 506 S HA -0.237 4.233 4.470 0.001 0.000 0.259 506 S C 0.129 174.598 174.600 -0.219 0.000 1.096 506 S CA 2.652 60.747 58.200 -0.174 0.000 1.219 506 S CB -1.690 61.422 63.200 -0.147 0.000 1.124 506 S HN 0.581 nan 8.310 nan 0.000 0.436 507 P HA -0.137 nan 4.420 nan 0.000 0.216 507 P C 0.985 178.058 177.300 -0.377 0.000 1.150 507 P CA 1.383 64.305 63.100 -0.296 0.000 0.837 507 P CB -0.284 31.236 31.700 -0.299 0.000 0.786 508 H N -0.682 118.288 119.070 -0.166 0.000 2.462 508 H HA 0.052 4.609 4.556 0.001 0.000 0.292 508 H C 0.827 176.048 175.328 -0.177 0.000 1.049 508 H CA 0.378 56.376 56.048 -0.083 0.000 1.334 508 H CB -0.327 29.430 29.762 -0.009 0.000 1.404 508 H HN 0.154 nan 8.280 nan 0.000 0.544 509 I N 2.022 122.448 120.570 -0.240 0.000 2.416 509 I HA -0.000 4.170 4.170 0.001 0.000 0.288 509 I C 0.347 176.220 176.117 -0.406 0.000 1.051 509 I CA 0.202 61.318 61.300 -0.307 0.000 1.375 509 I CB 0.409 38.156 38.000 -0.421 0.000 1.407 509 I HN 0.068 nan 8.210 nan 0.000 0.516 510 H N 5.629 124.713 119.070 0.024 0.000 2.689 510 H HA 0.350 4.906 4.556 0.001 0.000 0.346 510 H C -0.553 174.819 175.328 0.073 0.000 1.037 510 H CA -0.800 55.273 56.048 0.043 0.000 1.234 510 H CB 1.355 31.147 29.762 0.049 0.000 1.572 510 H HN 0.521 nan 8.280 nan 0.000 0.524 511 N N 0.983 119.783 118.700 0.166 0.000 2.454 511 N HA 0.039 4.780 4.740 0.001 0.000 0.260 511 N C 1.142 176.768 175.510 0.193 0.000 1.218 511 N CA 1.071 54.217 53.050 0.160 0.000 0.904 511 N CB 1.116 39.673 38.487 0.118 0.000 1.065 511 N HN 0.996 nan 8.380 nan 0.000 0.462 512 G N 0.384 109.346 108.800 0.271 0.000 2.141 512 G HA2 -0.234 3.726 3.960 0.001 0.000 0.242 512 G HA3 -0.234 3.726 3.960 0.001 0.000 0.242 512 G C 0.201 175.281 174.900 0.299 0.000 0.982 512 G CA 0.362 45.686 45.100 0.375 0.000 0.662 512 G HN 0.538 nan 8.290 nan 0.000 0.527 513 L N -1.879 119.406 121.223 0.103 0.000 2.437 513 L HA 0.675 5.015 4.340 0.001 0.000 0.188 513 L C 0.569 177.329 176.870 -0.184 0.000 1.123 513 L CA 0.347 55.170 54.840 -0.028 0.000 0.981 513 L CB -0.153 41.951 42.059 0.075 0.000 1.935 513 L HN 0.253 nan 8.230 nan 0.000 0.494 514 F N 1.065 120.893 119.950 -0.203 0.000 2.375 514 F HA 0.521 5.048 4.527 0.001 0.000 0.333 514 F C 1.406 177.006 175.800 -0.334 0.000 1.104 514 F CA 0.677 58.557 58.000 -0.200 0.000 1.149 514 F CB 0.803 39.763 39.000 -0.068 0.000 1.190 514 F HN 0.470 nan 8.300 nan 0.000 0.533 515 G N 4.134 112.174 108.800 -1.267 0.000 2.685 515 G HA2 -0.467 3.494 3.960 0.001 0.000 0.329 515 G HA3 -0.467 3.494 3.960 0.001 0.000 0.329 515 G C 0.505 175.066 174.900 -0.566 0.000 1.271 515 G CA 0.788 45.299 45.100 -0.982 0.000 1.003 515 G HN 1.258 nan 8.290 nan 0.000 0.549 516 N N 0.704 119.231 118.700 -0.288 0.000 2.362 516 N HA 0.194 4.934 4.740 0.001 0.000 0.211 516 N C 0.838 176.435 175.510 0.145 0.000 1.170 516 N CA 0.830 53.846 53.050 -0.057 0.000 0.828 516 N CB -0.407 38.067 38.487 -0.022 0.000 1.034 516 N HN 0.989 nan 8.380 nan 0.000 0.475 517 Y N -2.113 118.181 120.300 -0.011 0.000 4.916 517 Y HA -0.327 4.223 4.550 0.000 0.000 0.247 517 Y C 1.131 177.058 175.900 0.045 0.000 0.962 517 Y CA 1.231 59.346 58.100 0.025 0.000 1.933 517 Y CB -1.937 36.523 38.460 0.000 0.000 1.451 517 Y HN 0.386 nan 8.280 nan 0.000 0.539 518 D N -1.012 119.480 120.400 0.154 0.000 2.422 518 D HA 0.322 4.962 4.640 0.001 0.000 0.218 518 D C 1.902 178.258 176.300 0.095 0.000 1.047 518 D CA 1.603 55.670 54.000 0.111 0.000 0.885 518 D CB 0.455 41.306 40.800 0.086 0.000 1.035 518 D HN 0.420 nan 8.370 nan 0.000 0.502 519 G N -0.819 108.053 108.800 0.121 0.000 2.935 519 G HA2 -0.078 3.883 3.960 0.001 0.000 0.213 519 G HA3 -0.078 3.883 3.960 0.001 0.000 0.213 519 G C 0.284 175.281 174.900 0.163 0.000 0.984 519 G CA 0.178 45.347 45.100 0.115 0.000 0.790 519 G HN 0.246 nan 8.290 nan 0.000 0.538 520 S N 1.223 117.022 115.700 0.164 0.000 2.747 520 S HA 0.794 5.265 4.470 0.001 0.000 0.300 520 S C -2.699 171.943 174.600 0.070 0.000 1.121 520 S CA -1.179 57.123 58.200 0.169 0.000 0.995 520 S CB 2.262 65.516 63.200 0.090 0.000 1.113 520 S HN 0.132 nan 8.310 nan 0.000 0.547 521 P HA 0.229 nan 4.420 nan 0.000 0.274 521 P C -1.083 175.799 177.300 -0.696 0.000 1.246 521 P CA -0.311 62.313 63.100 -0.795 0.000 0.795 521 P CB 0.340 30.973 31.700 -1.778 0.000 1.006 522 D N 0.763 120.788 120.400 -0.625 0.000 2.518 522 D HA 0.108 4.749 4.640 0.001 0.000 0.230 522 D C -0.029 176.124 176.300 -0.245 0.000 1.138 522 D CA -0.413 53.392 54.000 -0.324 0.000 0.964 522 D CB -0.465 40.218 40.800 -0.194 0.000 1.011 522 D HN 0.306 nan 8.370 nan 0.000 0.517 523 W N 2.011 123.280 121.300 -0.051 0.000 2.982 523 W HA -0.016 4.645 4.660 0.001 0.000 0.239 523 W C 1.481 177.983 176.519 -0.028 0.000 1.303 523 W CA -0.102 57.211 57.345 -0.052 0.000 1.448 523 W CB 0.289 29.720 29.460 -0.048 0.000 1.133 523 W HN 0.265 nan 8.180 nan 0.000 0.698 524 T N -1.592 113.048 114.554 0.144 0.000 3.044 524 T HA 0.067 4.417 4.350 0.001 0.000 0.250 524 T C 0.500 175.240 174.700 0.067 0.000 1.081 524 T CA 0.584 62.741 62.100 0.096 0.000 1.040 524 T CB 0.269 69.176 68.868 0.065 0.000 0.962 524 T HN -0.231 nan 8.240 nan 0.000 0.506 525 T N 1.180 115.765 114.554 0.053 0.000 2.971 525 T HA 0.332 4.682 4.350 0.001 0.000 0.304 525 T C 0.495 175.218 174.700 0.038 0.000 1.038 525 T CA -0.785 61.337 62.100 0.036 0.000 1.007 525 T CB 2.410 71.287 68.868 0.016 0.000 1.055 525 T HN -0.042 nan 8.240 nan 0.000 0.451 526 R N 1.348 121.877 120.500 0.049 0.000 2.276 526 R HA 0.129 4.469 4.340 0.001 0.000 0.203 526 R C 1.952 178.270 176.300 0.030 0.000 1.017 526 R CA 0.485 56.620 56.100 0.059 0.000 1.010 526 R CB -0.030 30.302 30.300 0.054 0.000 0.900 526 R HN 0.623 nan 8.270 nan 0.000 0.469 527 A N 1.284 124.112 122.820 0.013 0.000 2.235 527 A HA 0.237 4.557 4.320 0.001 0.000 0.208 527 A C 0.979 178.556 177.584 -0.012 0.000 1.172 527 A CA 0.229 52.270 52.037 0.007 0.000 0.786 527 A CB 0.061 19.067 19.000 0.011 0.000 0.804 527 A HN 0.254 nan 8.150 nan 0.000 0.479 528 A N 0.573 123.364 122.820 -0.048 0.000 2.366 528 A HA 0.413 4.734 4.320 0.001 0.000 0.272 528 A C -0.498 176.976 177.584 -0.183 0.000 1.135 528 A CA -0.507 51.449 52.037 -0.135 0.000 0.804 528 A CB 0.150 19.032 19.000 -0.196 0.000 1.064 528 A HN 0.279 nan 8.150 nan 0.000 0.499 529 D N 2.735 122.992 120.400 -0.238 0.000 2.482 529 D HA -0.004 4.636 4.640 0.001 0.000 0.244 529 D C 0.107 176.065 176.300 -0.570 0.000 1.242 529 D CA 0.372 54.230 54.000 -0.236 0.000 1.097 529 D CB 0.206 40.896 40.800 -0.183 0.000 1.109 529 D HN 0.440 nan 8.370 nan 0.000 0.510 530 N N 0.819 119.270 118.700 -0.415 0.000 2.236 530 N HA 0.038 4.779 4.740 0.001 0.000 0.196 530 N C -0.390 174.836 175.510 -0.473 0.000 1.114 530 N CA 0.067 52.665 53.050 -0.752 0.000 0.859 530 N CB 0.565 38.573 38.487 -0.798 0.000 0.982 530 N HN 0.216 nan 8.380 nan 0.000 0.493 531 F N 0.467 120.482 119.950 0.109 0.000 2.551 531 F HA 0.462 4.989 4.527 0.001 0.000 0.316 531 F C -0.138 175.995 175.800 0.556 0.000 1.089 531 F CA -0.904 57.338 58.000 0.404 0.000 0.915 531 F CB 2.263 41.381 39.000 0.197 0.000 1.186 531 F HN -0.261 nan 8.300 nan 0.000 0.456 532 L N 5.901 127.597 121.223 0.789 0.000 2.427 532 L HA 0.517 4.857 4.340 0.001 0.000 0.264 532 L C -1.454 175.744 176.870 0.547 0.000 0.989 532 L CA -0.400 54.769 54.840 0.547 0.000 0.865 532 L CB 0.964 43.226 42.059 0.339 0.000 1.209 532 L HN 0.556 nan 8.230 nan 0.000 0.430 533 L N 4.448 125.950 121.223 0.465 0.000 2.350 533 L HA 0.463 4.803 4.340 0.001 0.000 0.275 533 L C 0.091 177.213 176.870 0.421 0.000 1.099 533 L CA -0.484 54.644 54.840 0.481 0.000 0.808 533 L CB 1.159 43.509 42.059 0.485 0.000 1.149 533 L HN 0.416 nan 8.230 nan 0.000 0.442 534 L N 1.459 122.877 121.223 0.324 0.000 2.357 534 L HA 0.321 4.661 4.340 0.001 0.000 0.273 534 L C 0.680 177.526 176.870 -0.041 0.000 1.080 534 L CA -0.197 54.718 54.840 0.125 0.000 0.803 534 L CB 1.775 43.884 42.059 0.083 0.000 1.174 534 L HN 0.705 nan 8.230 nan 0.000 0.443 535 S N 0.755 116.328 115.700 -0.210 0.000 2.576 535 S HA 0.067 4.538 4.470 0.001 0.000 0.276 535 S C 0.901 175.329 174.600 -0.288 0.000 1.339 535 S CA -0.490 57.399 58.200 -0.519 0.000 1.039 535 S CB 0.995 63.982 63.200 -0.355 0.000 0.902 535 S HN 0.620 nan 8.310 nan 0.000 0.516 536 S N 3.174 118.689 115.700 -0.307 0.000 2.671 536 S HA 0.222 4.693 4.470 0.001 0.000 0.220 536 S C 1.515 176.063 174.600 -0.088 0.000 0.951 536 S CA 0.505 58.615 58.200 -0.150 0.000 0.932 536 S CB 0.111 63.239 63.200 -0.120 0.000 0.777 536 S HN 0.817 nan 8.310 nan 0.000 0.508 537 Q N 0.570 120.314 119.800 -0.093 0.000 2.570 537 Q HA 0.230 4.570 4.340 0.001 0.000 0.222 537 Q C 0.086 176.063 176.000 -0.039 0.000 0.769 537 Q CA 0.166 55.942 55.803 -0.045 0.000 0.934 537 Q CB 0.034 28.758 28.738 -0.023 0.000 1.309 537 Q HN 0.383 nan 8.270 nan 0.000 0.565 538 D N 0.266 120.642 120.400 -0.040 0.000 2.460 538 D HA 0.373 5.013 4.640 0.001 0.000 0.232 538 D C 0.147 176.455 176.300 0.013 0.000 1.079 538 D CA 0.129 54.127 54.000 -0.004 0.000 0.864 538 D CB 1.552 42.363 40.800 0.019 0.000 1.048 538 D HN 0.262 nan 8.370 nan 0.000 0.523 539 S N 2.259 117.973 115.700 0.022 0.000 2.465 539 S HA -0.131 4.340 4.470 0.001 0.000 0.241 539 S C 0.844 175.539 174.600 0.158 0.000 1.000 539 S CA 0.639 58.870 58.200 0.052 0.000 0.964 539 S CB 0.226 63.446 63.200 0.032 0.000 0.763 539 S HN 0.529 nan 8.310 nan 0.000 0.512 540 D N 1.589 122.082 120.400 0.155 0.000 2.340 540 D HA 0.075 4.715 4.640 0.001 0.000 0.217 540 D C 0.669 177.170 176.300 0.334 0.000 1.081 540 D CA 0.332 54.472 54.000 0.234 0.000 0.842 540 D CB 0.321 41.180 40.800 0.099 0.000 0.934 540 D HN 0.521 nan 8.370 nan 0.000 0.511 541 T N -1.627 113.056 114.554 0.215 0.000 2.856 541 T HA 0.786 5.136 4.350 0.001 0.000 0.283 541 T C -0.281 174.436 174.700 0.028 0.000 1.008 541 T CA -0.735 61.471 62.100 0.176 0.000 0.997 541 T CB 2.804 71.760 68.868 0.146 0.000 0.992 541 T HN -0.004 nan 8.240 nan 0.000 0.454 546 S N -1.201 114.570 115.700 0.119 0.000 2.651 546 S HA 0.497 4.967 4.470 0.001 0.000 0.291 546 S C 0.768 175.429 174.600 0.102 0.000 1.141 546 S CA 0.219 58.480 58.200 0.102 0.000 1.027 546 S CB 1.588 64.815 63.200 0.045 0.000 1.043 546 S HN 0.774 nan 8.310 nan 0.000 0.530 547 T N 1.615 116.270 114.554 0.169 0.000 2.685 547 T HA -0.161 4.190 4.350 0.001 0.000 0.268 547 T C 1.103 175.802 174.700 -0.001 0.000 1.034 547 T CA 2.005 64.189 62.100 0.141 0.000 1.149 547 T CB -0.613 68.398 68.868 0.238 0.000 0.860 547 T HN 0.691 nan 8.240 nan 0.000 0.449 548 D N 0.439 120.841 120.400 0.003 0.000 2.097 548 D HA -0.079 4.562 4.640 0.001 0.000 0.197 548 D C 2.504 178.762 176.300 -0.070 0.000 0.984 548 D CA 1.674 55.655 54.000 -0.031 0.000 0.826 548 D CB -0.405 40.383 40.800 -0.021 0.000 0.973 548 D HN 0.444 nan 8.370 nan 0.000 0.460 549 T N 0.345 114.859 114.554 -0.068 0.000 2.951 549 T HA -0.071 4.279 4.350 0.001 0.000 0.268 549 T C 1.884 176.499 174.700 -0.142 0.000 1.073 549 T CA 0.298 62.334 62.100 -0.107 0.000 1.134 549 T CB -0.038 68.780 68.868 -0.083 0.000 0.884 549 T HN 0.005 nan 8.240 nan 0.000 0.479 550 L N 0.113 121.252 121.223 -0.139 0.000 2.179 550 L HA 0.215 4.555 4.340 0.001 0.000 0.208 550 L C 2.291 179.057 176.870 -0.174 0.000 1.096 550 L CA 1.165 55.895 54.840 -0.182 0.000 0.779 550 L CB -0.636 41.214 42.059 -0.348 0.000 0.922 550 L HN 0.387 nan 8.230 nan 0.000 0.443 551 L N -0.236 120.883 121.223 -0.173 0.000 2.093 551 L HA -0.110 4.231 4.340 0.001 0.000 0.208 551 L C 1.660 178.470 176.870 -0.101 0.000 1.085 551 L CA 1.093 55.845 54.840 -0.146 0.000 0.755 551 L CB -0.399 41.593 42.059 -0.113 0.000 0.904 551 L HN 0.403 nan 8.230 nan 0.000 0.435 555 N N 2.660 121.394 118.700 0.056 0.000 2.904 555 N HA 0.312 5.052 4.740 0.001 0.000 0.257 555 N C -2.411 173.111 175.510 0.021 0.000 1.363 555 N CA -0.775 52.301 53.050 0.043 0.000 0.856 555 N CB 1.721 40.223 38.487 0.024 0.000 1.166 555 N HN 0.257 nan 8.380 nan 0.000 0.499 556 P HA 0.144 nan 4.420 nan 0.000 0.285 556 P C 0.050 177.342 177.300 -0.013 0.000 1.282 556 P CA 0.065 63.160 63.100 -0.009 0.000 0.778 556 P CB 0.882 32.674 31.700 0.153 0.000 1.222 557 T N -1.655 112.876 114.554 -0.039 0.000 2.868 557 T HA 0.344 4.695 4.350 0.001 0.000 0.306 557 T C -2.007 172.689 174.700 -0.007 0.000 1.224 557 T CA -1.518 60.567 62.100 -0.025 0.000 1.012 557 T CB 1.018 69.856 68.868 -0.050 0.000 1.221 557 T HN 0.078 nan 8.240 nan 0.000 0.499 558 P HA -0.129 nan 4.420 nan 0.000 0.221 558 P C 0.043 177.355 177.300 0.020 0.000 1.160 558 P CA 1.509 64.616 63.100 0.012 0.000 0.933 558 P CB 0.143 31.843 31.700 0.001 0.000 0.793 559 D N -1.205 119.190 120.400 -0.008 0.000 2.930 559 D HA 0.139 4.780 4.640 0.001 0.000 0.304 559 D C -0.395 175.859 176.300 -0.077 0.000 1.298 559 D CA 0.152 54.143 54.000 -0.015 0.000 0.949 559 D CB -0.312 40.479 40.800 -0.014 0.000 1.013 559 D HN -0.009 nan 8.370 nan 0.000 0.510 560 T N 0.794 115.265 114.554 -0.138 0.000 2.744 560 T HA 0.497 4.848 4.350 0.001 0.000 0.291 560 T C 0.541 174.936 174.700 -0.508 0.000 0.957 560 T CA -0.497 61.397 62.100 -0.344 0.000 1.002 560 T CB 1.302 69.868 68.868 -0.503 0.000 0.919 560 T HN 0.221 nan 8.240 nan 0.000 0.468 561 A N 2.944 125.534 122.820 -0.382 0.000 2.483 561 A HA 0.390 4.710 4.320 0.001 0.000 0.238 561 A C 0.164 177.438 177.584 -0.518 0.000 1.070 561 A CA -0.074 51.784 52.037 -0.299 0.000 0.770 561 A CB 0.288 19.189 19.000 -0.164 0.000 1.008 561 A HN 1.075 nan 8.150 nan 0.000 0.497 562 W N -0.505 120.830 121.300 0.059 0.000 3.227 562 W HA 0.159 4.820 4.660 0.001 0.000 0.246 562 W C 0.469 177.044 176.519 0.093 0.000 1.007 562 W CA 0.552 57.975 57.345 0.131 0.000 1.925 562 W CB -0.372 29.232 29.460 0.239 0.000 1.062 562 W HN 0.673 nan 8.180 nan 0.000 0.649 563 D N 1.718 122.217 120.400 0.166 0.000 2.569 563 D HA -0.102 4.538 4.640 0.001 0.000 0.254 563 D C -0.006 176.085 176.300 -0.349 0.000 1.274 563 D CA 0.909 54.776 54.000 -0.222 0.000 1.306 563 D CB -0.854 39.840 40.800 -0.177 0.000 1.139 563 D HN -0.043 nan 8.370 nan 0.000 0.511 564 N N 3.387 121.832 118.700 -0.425 0.000 2.605 564 N HA 0.129 4.869 4.740 0.001 0.000 0.265 564 N C -1.745 173.631 175.510 -0.223 0.000 1.625 564 N CA -0.453 52.411 53.050 -0.309 0.000 0.862 564 N CB -0.237 38.157 38.487 -0.154 0.000 1.415 564 N HN 0.289 nan 8.380 nan 0.000 0.513 565 F N -1.361 118.402 119.950 -0.312 0.000 2.741 565 F HA 0.568 5.095 4.527 0.001 0.000 0.313 565 F C -1.709 173.850 175.800 -0.402 0.000 1.153 565 F CA -1.250 56.571 58.000 -0.298 0.000 0.931 565 F CB 0.840 39.743 39.000 -0.161 0.000 1.335 565 F HN -0.228 nan 8.300 nan 0.000 0.460 566 Y N 2.142 122.610 120.300 0.280 0.000 2.331 566 Y HA 0.573 5.123 4.550 0.001 0.000 0.338 566 Y C -0.188 175.899 175.900 0.311 0.000 0.976 566 Y CA -0.868 57.356 58.100 0.206 0.000 1.137 566 Y CB 1.539 40.081 38.460 0.137 0.000 1.172 566 Y HN 0.561 nan 8.280 nan 0.000 0.478 567 L N 4.771 126.242 121.223 0.414 0.000 2.326 567 L HA 0.353 4.693 4.340 0.001 0.000 0.278 567 L C -1.017 176.025 176.870 0.287 0.000 1.092 567 L CA -0.543 54.509 54.840 0.352 0.000 0.810 567 L CB 0.624 42.879 42.059 0.326 0.000 1.153 567 L HN 0.516 nan 8.230 nan 0.000 0.439 568 L N 4.700 126.084 121.223 0.269 0.000 2.349 568 L HA 0.616 4.957 4.340 0.001 0.000 0.278 568 L C -0.080 176.974 176.870 0.307 0.000 0.996 568 L CA -0.298 54.713 54.840 0.284 0.000 0.825 568 L CB 1.493 43.754 42.059 0.337 0.000 1.243 568 L HN 0.746 nan 8.230 nan 0.000 0.412 569 R N 2.575 123.236 120.500 0.269 0.000 3.190 569 R HA 0.657 4.997 4.340 0.001 0.000 0.244 569 R C -0.350 176.043 176.300 0.156 0.000 1.788 569 R CA 0.195 56.440 56.100 0.242 0.000 1.160 569 R CB 0.461 30.877 30.300 0.193 0.000 1.494 569 R HN 0.783 nan 8.270 nan 0.000 0.499 570 A N -0.089 122.808 122.820 0.128 0.000 2.716 570 A HA 0.667 4.987 4.320 0.001 0.000 0.252 570 A C 0.993 178.619 177.584 0.069 0.000 1.144 570 A CA 0.401 52.512 52.037 0.122 0.000 0.995 570 A CB -0.277 18.746 19.000 0.039 0.000 1.252 570 A HN 2.555 nan 8.150 nan 0.000 0.593 571 G N -1.244 107.622 108.800 0.110 0.000 2.721 571 G HA2 0.456 4.417 3.960 0.001 0.000 0.686 571 G HA3 0.456 4.417 3.960 0.001 0.000 0.686 571 G C -0.249 174.708 174.900 0.094 0.000 1.236 571 G CA 0.440 45.593 45.100 0.089 0.000 0.786 571 G HN 1.407 nan 8.290 nan 0.000 0.616 572 E N 0.915 121.132 120.200 0.028 0.000 3.188 572 E HA 0.683 5.033 4.350 0.001 0.000 0.262 572 E C 0.895 177.536 176.600 0.070 0.000 1.341 572 E CA 0.066 56.461 56.400 -0.008 0.000 1.140 572 E CB 0.177 29.844 29.700 -0.056 0.000 1.306 572 E HN 1.525 nan 8.360 nan 0.000 0.694 573 N N -0.659 118.080 118.700 0.065 0.000 2.357 573 N HA 0.099 4.840 4.740 0.001 0.000 0.257 573 N C -0.960 174.617 175.510 0.113 0.000 1.250 573 N CA 0.266 53.390 53.050 0.123 0.000 0.862 573 N CB 0.332 38.893 38.487 0.122 0.000 1.066 573 N HN 0.355 nan 8.380 nan 0.000 0.468 574 V N 2.271 122.268 119.914 0.137 0.000 2.459 574 V HA 0.267 4.387 4.120 0.001 0.000 0.295 574 V C 0.467 176.614 176.094 0.087 0.000 1.029 574 V CA -1.020 61.345 62.300 0.107 0.000 0.874 574 V CB 1.320 33.216 31.823 0.121 0.000 0.985 574 V HN 0.747 nan 8.190 nan 0.000 0.438 575 S N 3.560 119.294 115.700 0.056 0.000 2.537 575 S HA 0.129 4.600 4.470 0.001 0.000 0.286 575 S C 1.138 175.742 174.600 0.007 0.000 1.299 575 S CA 0.255 58.471 58.200 0.026 0.000 1.067 575 S CB 0.560 63.770 63.200 0.018 0.000 0.864 575 S HN 1.060 nan 8.310 nan 0.000 0.494 576 T N 3.662 118.193 114.554 -0.037 0.000 4.593 576 T HA 0.357 4.708 4.350 0.001 0.000 0.208 576 T C 1.393 176.062 174.700 -0.052 0.000 0.748 576 T CA 0.306 62.365 62.100 -0.068 0.000 2.311 576 T CB -1.288 67.476 68.868 -0.173 0.000 1.788 576 T HN 1.837 nan 8.240 nan 0.000 0.291 577 A N 0.720 123.497 122.820 -0.072 0.000 2.446 577 A HA -0.222 4.098 4.320 0.001 0.000 0.293 577 A C 0.921 178.484 177.584 -0.034 0.000 1.447 577 A CA 1.846 53.852 52.037 -0.052 0.000 0.807 577 A CB -2.272 16.701 19.000 -0.044 0.000 1.038 577 A HN 0.812 nan 8.150 nan 0.000 0.396 578 Q N -2.387 117.393 119.800 -0.034 0.000 1.232 578 Q HA 0.075 4.415 4.340 0.001 0.000 0.121 578 Q C -0.695 175.292 176.000 -0.022 0.000 0.710 578 Q CA -0.129 55.661 55.803 -0.022 0.000 0.591 578 Q CB 0.233 28.965 28.738 -0.011 0.000 1.055 578 Q HN 0.639 nan 8.270 nan 0.000 0.316 579 I N 1.099 121.650 120.570 -0.032 0.000 2.406 579 I HA 0.339 4.510 4.170 0.001 0.000 0.290 579 I C 0.184 176.257 176.117 -0.074 0.000 0.999 579 I CA -0.337 60.944 61.300 -0.033 0.000 1.124 579 I CB 1.758 39.758 38.000 0.000 0.000 1.289 579 I HN -0.115 nan 8.210 nan 0.000 0.441 580 S N 8.923 124.566 115.700 -0.096 0.000 2.485 580 S HA 0.196 4.667 4.470 0.001 0.000 0.312 580 S C -1.197 173.237 174.600 -0.276 0.000 1.102 580 S CA -1.044 57.060 58.200 -0.160 0.000 1.066 580 S CB 0.545 63.661 63.200 -0.140 0.000 1.102 580 S HN 0.444 nan 8.310 nan 0.000 0.519 581 P HA -0.168 nan 4.420 nan 0.000 0.218 581 P C 1.316 177.832 177.300 -1.306 0.000 1.150 581 P CA 1.113 63.833 63.100 -0.635 0.000 0.841 581 P CB -0.044 31.398 31.700 -0.430 0.000 0.784 582 V N 0.419 119.758 119.914 -0.959 0.000 2.667 582 V HA -0.165 3.955 4.120 0.001 0.000 0.252 582 V C 2.542 178.395 176.094 -0.401 0.000 1.065 582 V CA 2.046 63.848 62.300 -0.830 0.000 1.083 582 V CB -1.471 29.857 31.823 -0.825 0.000 0.692 582 V HN 0.262 nan 8.190 nan 0.000 0.468 583 E N 0.181 120.202 120.200 -0.298 0.000 2.435 583 E HA -0.043 4.307 4.350 0.001 0.000 0.195 583 E C 1.965 178.524 176.600 -0.067 0.000 1.029 583 E CA 0.731 57.059 56.400 -0.120 0.000 0.865 583 E CB -0.094 29.558 29.700 -0.079 0.000 0.833 583 E HN 0.492 nan 8.360 nan 0.000 0.510 584 L N -0.176 120.947 121.223 -0.168 0.000 2.127 584 L HA 0.018 4.359 4.340 0.001 0.000 0.203 584 L C 1.389 178.388 176.870 0.215 0.000 1.080 584 L CA 0.802 55.644 54.840 0.002 0.000 0.768 584 L CB -0.232 41.808 42.059 -0.032 0.000 0.924 584 L HN 0.184 nan 8.230 nan 0.000 0.444 585 F N 0.416 120.456 119.950 0.151 0.000 2.250 585 F HA -0.197 4.330 4.527 0.001 0.000 0.301 585 F C 2.527 178.384 175.800 0.094 0.000 1.077 585 F CA 0.666 58.783 58.000 0.195 0.000 1.348 585 F CB -1.259 37.805 39.000 0.106 0.000 1.040 585 F HN 0.080 nan 8.300 nan 0.000 0.509 586 R N 0.241 120.852 120.500 0.185 0.000 2.179 586 R HA -0.240 4.100 4.340 0.001 0.000 0.238 586 R C 1.634 177.869 176.300 -0.108 0.000 1.119 586 R CA 2.490 58.622 56.100 0.053 0.000 0.915 586 R CB -0.873 29.503 30.300 0.127 0.000 0.870 586 R HN 0.377 nan 8.270 nan 0.000 0.432 587 H N -1.933 117.165 119.070 0.046 0.000 3.255 587 H HA 0.257 4.813 4.556 0.001 0.000 0.256 587 H C 0.847 176.135 175.328 -0.065 0.000 1.049 587 H CA 0.336 56.381 56.048 -0.005 0.000 1.202 587 H CB 0.662 30.415 29.762 -0.014 0.000 1.497 587 H HN 0.234 nan 8.280 nan 0.000 0.503 588 D N 0.018 120.437 120.400 0.032 0.000 2.162 588 D HA -0.007 4.633 4.640 0.001 0.000 0.205 588 D C -0.302 175.618 176.300 -0.633 0.000 0.964 588 D CA 1.099 54.923 54.000 -0.294 0.000 0.847 588 D CB 0.421 41.108 40.800 -0.188 0.000 0.988 588 D HN 0.244 nan 8.370 nan 0.000 0.480 589 F N -0.380 119.654 119.950 0.140 0.000 2.593 589 F HA 0.276 4.803 4.527 0.001 0.000 0.336 589 F C -1.953 173.839 175.800 -0.012 0.000 1.491 589 F CA -1.623 56.430 58.000 0.088 0.000 1.114 589 F CB 1.785 40.951 39.000 0.277 0.000 1.468 589 F HN -0.203 nan 8.300 nan 0.000 0.579 590 P HA -0.230 nan 4.420 nan 0.000 0.217 590 P C 1.903 179.151 177.300 -0.086 0.000 1.148 590 P CA 1.431 64.522 63.100 -0.016 0.000 0.834 590 P CB 0.040 31.707 31.700 -0.055 0.000 0.783 591 V N -2.725 117.054 119.914 -0.225 0.000 2.282 591 V HA -0.283 3.837 4.120 0.001 0.000 0.249 591 V C 2.109 178.002 176.094 -0.335 0.000 1.057 591 V CA 1.943 64.036 62.300 -0.344 0.000 1.032 591 V CB -2.080 29.389 31.823 -0.590 0.000 0.645 591 V HN 0.034 nan 8.190 nan 0.000 0.447 592 F N -0.462 119.338 119.950 -0.250 0.000 2.206 592 F HA 0.032 4.559 4.527 0.001 0.000 0.298 592 F C 2.446 177.996 175.800 -0.417 0.000 1.090 592 F CA 1.193 58.870 58.000 -0.538 0.000 1.323 592 F CB -0.356 37.779 39.000 -1.442 0.000 1.028 592 F HN 0.048 nan 8.300 nan 0.000 0.492 593 L N 0.578 121.793 121.223 -0.014 0.000 1.978 593 L HA -0.330 4.010 4.340 0.001 0.000 0.218 593 L C 2.750 179.688 176.870 0.114 0.000 1.075 593 L CA 1.916 56.854 54.840 0.163 0.000 0.767 593 L CB -0.754 41.394 42.059 0.147 0.000 0.890 593 L HN 0.230 nan 8.230 nan 0.000 0.434 594 A N -0.451 122.398 122.820 0.049 0.000 1.917 594 A HA -0.268 4.052 4.320 0.001 0.000 0.219 594 A C 2.408 180.032 177.584 0.066 0.000 1.182 594 A CA 2.198 54.260 52.037 0.041 0.000 0.633 594 A CB -0.921 18.086 19.000 0.012 0.000 0.819 594 A HN 0.647 nan 8.150 nan 0.000 0.448 595 A N -1.203 121.675 122.820 0.097 0.000 1.858 595 A HA -0.042 4.278 4.320 0.001 0.000 0.216 595 A C 2.101 179.811 177.584 0.211 0.000 1.190 595 A CA 1.684 53.835 52.037 0.190 0.000 0.617 595 A CB -0.803 18.400 19.000 0.338 0.000 0.827 595 A HN 0.741 nan 8.150 nan 0.000 0.443 596 F N 1.283 121.170 119.950 -0.106 0.000 2.075 596 F HA -0.226 4.302 4.527 0.001 0.000 0.297 596 F C 2.057 177.805 175.800 -0.086 0.000 1.113 596 F CA 2.219 60.045 58.000 -0.290 0.000 1.218 596 F CB -0.368 38.230 39.000 -0.670 0.000 0.984 596 F HN 0.208 nan 8.300 nan 0.000 0.472 597 N N 0.295 119.046 118.700 0.084 0.000 2.094 597 N HA -0.233 4.507 4.740 0.001 0.000 0.191 597 N C 1.911 177.376 175.510 -0.075 0.000 1.023 597 N CA 1.468 54.518 53.050 0.000 0.000 0.857 597 N CB -0.583 37.951 38.487 0.079 0.000 1.013 597 N HN 0.472 nan 8.380 nan 0.000 0.426 598 Q N 0.636 120.415 119.800 -0.036 0.000 2.212 598 Q HA -0.085 4.255 4.340 0.001 0.000 0.199 598 Q C 1.820 177.785 176.000 -0.059 0.000 0.950 598 Q CA 0.811 56.589 55.803 -0.042 0.000 0.863 598 Q CB -0.025 28.702 28.738 -0.019 0.000 0.944 598 Q HN 0.525 nan 8.270 nan 0.000 0.465 599 Q N -0.175 119.595 119.800 -0.049 0.000 2.135 599 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 599 Q C 1.734 177.668 176.000 -0.109 0.000 0.981 599 Q CA 1.611 57.389 55.803 -0.042 0.000 0.856 599 Q CB -0.103 28.662 28.738 0.045 0.000 0.902 599 Q HN 0.395 nan 8.270 nan 0.000 0.425 600 A N 0.422 123.121 122.820 -0.202 0.000 1.969 600 A HA -0.156 4.165 4.320 0.001 0.000 0.218 600 A C 2.190 179.705 177.584 -0.115 0.000 1.169 600 A CA 1.915 53.837 52.037 -0.191 0.000 0.635 600 A CB -0.830 18.018 19.000 -0.254 0.000 0.810 600 A HN 0.678 nan 8.150 nan 0.000 0.445 601 T N -3.959 110.542 114.554 -0.088 0.000 3.054 601 T HA 0.186 4.536 4.350 0.001 0.000 0.259 601 T C 1.918 176.600 174.700 -0.031 0.000 1.092 601 T CA 1.392 63.461 62.100 -0.053 0.000 1.121 601 T CB -0.297 68.548 68.868 -0.038 0.000 0.912 601 T HN 0.580 nan 8.240 nan 0.000 0.489 602 Q N 1.221 120.996 119.800 -0.041 0.000 2.472 602 Q HA 0.253 4.594 4.340 0.001 0.000 0.208 602 Q C 2.206 178.226 176.000 0.034 0.000 0.958 602 Q CA 0.925 56.724 55.803 -0.007 0.000 0.932 602 Q CB -0.690 28.026 28.738 -0.037 0.000 1.007 602 Q HN 0.740 nan 8.270 nan 0.000 0.508 603 R N -0.604 119.886 120.500 -0.017 0.000 2.090 603 R HA 0.050 4.390 4.340 0.001 0.000 0.219 603 R C 2.236 178.495 176.300 -0.069 0.000 1.100 603 R CA 0.619 56.698 56.100 -0.035 0.000 0.991 603 R CB 0.011 30.276 30.300 -0.058 0.000 0.893 603 R HN 0.468 nan 8.270 nan 0.000 0.443 604 R N -0.232 120.184 120.500 -0.139 0.000 2.070 604 R HA -0.134 4.206 4.340 0.001 0.000 0.233 604 R C 2.202 178.357 176.300 -0.242 0.000 1.137 604 R CA 1.896 57.798 56.100 -0.331 0.000 0.945 604 R CB -0.566 29.350 30.300 -0.640 0.000 0.845 604 R HN 0.180 nan 8.270 nan 0.000 0.430 605 F N 1.191 121.043 119.950 -0.163 0.000 2.202 605 F HA -0.125 4.402 4.527 0.001 0.000 0.301 605 F C 2.076 177.930 175.800 0.089 0.000 1.082 605 F CA 1.673 59.740 58.000 0.112 0.000 1.313 605 F CB -0.531 38.541 39.000 0.120 0.000 1.024 605 F HN 0.042 nan 8.300 nan 0.000 0.495 606 G N -0.268 108.587 108.800 0.093 0.000 2.442 606 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 606 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 606 G C 1.545 176.407 174.900 -0.064 0.000 1.141 606 G CA 0.899 46.008 45.100 0.016 0.000 0.763 606 G HN 0.453 nan 8.290 nan 0.000 0.554 607 E N -0.216 119.937 120.200 -0.078 0.000 2.051 607 E HA -0.078 4.273 4.350 0.001 0.000 0.192 607 E C 2.463 179.006 176.600 -0.095 0.000 0.991 607 E CA 0.620 56.967 56.400 -0.090 0.000 0.799 607 E CB -0.205 29.434 29.700 -0.102 0.000 0.748 607 E HN 0.396 nan 8.360 nan 0.000 0.449 608 L N 1.204 122.383 121.223 -0.074 0.000 2.042 608 L HA -0.225 4.115 4.340 0.001 0.000 0.210 608 L C 2.277 179.093 176.870 -0.089 0.000 1.076 608 L CA 0.926 55.747 54.840 -0.033 0.000 0.749 608 L CB -0.156 41.960 42.059 0.096 0.000 0.893 608 L HN 0.171 nan 8.230 nan 0.000 0.432 609 I N -0.076 120.399 120.570 -0.158 0.000 2.248 609 I HA -0.330 3.841 4.170 0.001 0.000 0.248 609 I C 2.007 178.043 176.117 -0.135 0.000 1.107 609 I CA 1.592 62.822 61.300 -0.118 0.000 1.373 609 I CB -1.271 36.689 38.000 -0.067 0.000 1.055 609 I HN 0.415 nan 8.210 nan 0.000 0.418 610 D N 0.474 120.802 120.400 -0.120 0.000 2.213 610 D HA 0.012 4.652 4.640 0.001 0.000 0.205 610 D C 2.304 178.509 176.300 -0.159 0.000 0.961 610 D CA 0.673 54.599 54.000 -0.123 0.000 0.853 610 D CB 0.074 40.818 40.800 -0.094 0.000 0.967 610 D HN 0.332 nan 8.370 nan 0.000 0.496 611 I N 1.327 121.789 120.570 -0.180 0.000 2.530 611 I HA -0.194 3.976 4.170 0.001 0.000 0.257 611 I C 2.310 178.281 176.117 -0.244 0.000 1.179 611 I CA 0.936 62.084 61.300 -0.254 0.000 1.440 611 I CB -0.132 37.692 38.000 -0.294 0.000 1.087 611 I HN 0.074 nan 8.210 nan 0.000 0.440 612 I N -3.086 117.348 120.570 -0.227 0.000 4.323 612 I HA 0.163 4.333 4.170 0.001 0.000 0.328 612 I C 0.913 176.802 176.117 -0.381 0.000 1.310 612 I CA 0.347 61.473 61.300 -0.291 0.000 1.186 612 I CB 0.414 38.208 38.000 -0.344 0.000 1.130 612 I HN -0.121 nan 8.210 nan 0.000 0.411 613 L N 1.882 122.920 121.223 -0.308 0.000 3.096 613 L HA 0.349 4.690 4.340 0.001 0.000 0.247 613 L C 0.702 177.494 176.870 -0.130 0.000 1.321 613 L CA -0.473 54.203 54.840 -0.273 0.000 1.044 613 L CB 0.269 42.139 42.059 -0.315 0.000 1.434 613 L HN 0.290 nan 8.230 nan 0.000 0.533 614 S N 0.409 116.039 115.700 -0.117 0.000 3.415 614 S HA -0.280 4.191 4.470 0.001 0.000 0.257 614 S C 1.482 176.042 174.600 -0.066 0.000 0.773 614 S CA 0.723 58.878 58.200 -0.075 0.000 1.382 614 S CB -0.704 62.479 63.200 -0.028 0.000 1.146 614 S HN 0.842 nan 8.310 nan 0.000 0.432 615 T N 2.189 116.695 114.554 -0.080 0.000 5.951 615 T HA -0.397 3.953 4.350 0.001 0.000 0.211 615 T C 1.322 175.993 174.700 -0.048 0.000 1.678 615 T CA 2.998 65.060 62.100 -0.064 0.000 1.334 615 T CB -1.369 67.463 68.868 -0.060 0.000 1.503 615 T HN 1.440 nan 8.240 nan 0.000 0.582 616 E N 2.098 122.271 120.200 -0.046 0.000 2.685 616 E HA 0.555 4.906 4.350 0.001 0.000 0.208 616 E C 0.099 176.663 176.600 -0.059 0.000 0.996 616 E CA 0.868 57.243 56.400 -0.043 0.000 1.054 616 E CB -0.055 29.622 29.700 -0.038 0.000 1.075 616 E HN 1.062 nan 8.360 nan 0.000 0.460 617 E N 0.413 120.573 120.200 -0.065 0.000 2.218 617 E HA 0.535 4.886 4.350 0.001 0.000 0.263 617 E C 0.115 176.659 176.600 -0.094 0.000 0.879 617 E CA -0.601 55.724 56.400 -0.125 0.000 0.762 617 E CB -0.087 29.540 29.700 -0.121 0.000 1.166 617 E HN 0.458 nan 8.360 nan 0.000 0.415 618 H N 0.983 120.006 119.070 -0.078 0.000 2.886 618 H HA -0.172 4.384 4.556 0.001 0.000 0.294 618 H C 1.535 176.818 175.328 -0.076 0.000 1.246 618 H CA 0.945 56.940 56.048 -0.087 0.000 1.142 618 H CB -1.605 28.076 29.762 -0.134 0.000 1.358 618 H HN 0.946 nan 8.280 nan 0.000 0.406 619 G N 0.410 109.207 108.800 -0.005 0.000 2.448 619 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 619 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 619 G C 1.436 176.350 174.900 0.024 0.000 1.127 619 G CA 0.898 45.997 45.100 -0.001 0.000 0.766 619 G HN 0.578 nan 8.290 nan 0.000 0.552 620 E N -0.049 120.168 120.200 0.029 0.000 2.047 620 E HA -0.028 4.322 4.350 0.001 0.000 0.191 620 E C 2.453 179.103 176.600 0.082 0.000 0.987 620 E CA 0.482 56.911 56.400 0.049 0.000 0.799 620 E CB -0.164 29.558 29.700 0.038 0.000 0.752 620 E HN 0.431 nan 8.360 nan 0.000 0.449 621 L N 1.293 122.565 121.223 0.081 0.000 2.141 621 L HA -0.141 4.200 4.340 0.001 0.000 0.209 621 L C 2.591 179.527 176.870 0.110 0.000 1.094 621 L CA 0.645 55.548 54.840 0.105 0.000 0.763 621 L CB -0.548 41.520 42.059 0.015 0.000 0.908 621 L HN 0.279 nan 8.230 nan 0.000 0.437 622 N N 0.132 118.849 118.700 0.028 0.000 2.272 622 N HA -0.215 4.525 4.740 0.001 0.000 0.185 622 N C 1.679 177.257 175.510 0.114 0.000 1.014 622 N CA 1.335 54.391 53.050 0.009 0.000 0.870 622 N CB 0.213 38.688 38.487 -0.019 0.000 0.975 622 N HN 0.548 nan 8.380 nan 0.000 0.433 623 Q N -0.287 119.596 119.800 0.138 0.000 2.324 623 Q HA 0.046 4.387 4.340 0.001 0.000 0.207 623 Q C 1.960 178.101 176.000 0.236 0.000 0.928 623 Q CA 0.207 56.104 55.803 0.158 0.000 0.890 623 Q CB 0.040 28.840 28.738 0.104 0.000 1.001 623 Q HN 0.449 nan 8.270 nan 0.000 0.517 624 Q N 0.194 120.157 119.800 0.272 0.000 2.112 624 Q HA -0.196 4.144 4.340 0.001 0.000 0.206 624 Q C 1.810 178.132 176.000 0.538 0.000 0.987 624 Q CA 1.413 57.431 55.803 0.359 0.000 0.858 624 Q CB -0.221 28.707 28.738 0.317 0.000 0.905 624 Q HN 0.261 nan 8.270 nan 0.000 0.420 625 F N 0.767 120.929 119.950 0.354 0.000 2.102 625 F HA -0.180 4.348 4.527 0.001 0.000 0.298 625 F C 2.175 178.237 175.800 0.436 0.000 1.105 625 F CA 1.122 59.384 58.000 0.436 0.000 1.239 625 F CB -0.347 38.750 39.000 0.161 0.000 0.991 625 F HN -0.001 nan 8.300 nan 0.000 0.474 626 L N -0.930 120.562 121.223 0.448 0.000 2.056 626 L HA -0.185 4.156 4.340 0.001 0.000 0.207 626 L C 2.658 179.650 176.870 0.202 0.000 1.078 626 L CA 1.083 56.101 54.840 0.298 0.000 0.749 626 L CB -1.029 41.148 42.059 0.196 0.000 0.901 626 L HN 0.117 nan 8.230 nan 0.000 0.433 627 A N 0.130 123.066 122.820 0.193 0.000 1.972 627 A HA -0.168 4.152 4.320 0.001 0.000 0.219 627 A C 2.489 180.133 177.584 0.100 0.000 1.169 627 A CA 1.608 53.720 52.037 0.126 0.000 0.635 627 A CB -0.624 18.453 19.000 0.129 0.000 0.810 627 A HN 0.404 nan 8.150 nan 0.000 0.446 628 A N -0.316 122.581 122.820 0.129 0.000 2.070 628 A HA -0.060 4.261 4.320 0.001 0.000 0.220 628 A C 2.235 179.916 177.584 0.162 0.000 1.159 628 A CA 2.123 54.197 52.037 0.062 0.000 0.656 628 A CB -1.160 17.767 19.000 -0.122 0.000 0.800 628 A HN 0.821 nan 8.150 nan 0.000 0.453 629 T N -3.211 111.352 114.554 0.014 0.000 3.148 629 T HA 0.035 4.385 4.350 0.001 0.000 0.253 629 T C 0.847 175.402 174.700 -0.243 0.000 1.134 629 T CA 1.007 62.889 62.100 -0.363 0.000 1.051 629 T CB -0.421 68.162 68.868 -0.474 0.000 0.959 629 T HN 0.308 nan 8.240 nan 0.000 0.525 630 N N 1.960 120.622 118.700 -0.063 0.000 2.236 630 N HA 0.189 4.929 4.740 0.001 0.000 0.196 630 N C 0.220 175.718 175.510 -0.019 0.000 1.114 630 N CA -0.077 52.944 53.050 -0.048 0.000 0.859 630 N CB 0.382 38.856 38.487 -0.020 0.000 0.982 630 N HN 0.878 nan 8.380 nan 0.000 0.493 631 Q N -2.224 117.599 119.800 0.038 0.000 2.900 631 Q HA 0.175 4.515 4.340 0.001 0.000 0.297 631 Q C -0.368 175.722 176.000 0.149 0.000 0.889 631 Q CA -0.695 55.148 55.803 0.066 0.000 0.777 631 Q CB 0.765 29.502 28.738 -0.001 0.000 1.518 631 Q HN -0.163 nan 8.270 nan 0.000 0.430 632 K N -0.084 120.396 120.400 0.135 0.000 2.103 632 K HA -0.140 4.180 4.320 0.001 0.000 0.207 632 K C 0.355 176.955 176.600 -0.001 0.000 1.048 632 K CA 1.562 57.909 56.287 0.100 0.000 0.930 632 K CB 0.012 32.570 32.500 0.096 0.000 0.716 632 K HN 0.580 nan 8.250 nan 0.000 0.444 633 H N 0.004 119.038 119.070 -0.060 0.000 2.481 633 H HA 0.193 4.749 4.556 0.001 0.000 0.333 633 H C -1.600 173.671 175.328 -0.094 0.000 1.066 633 H CA -0.283 55.701 56.048 -0.108 0.000 1.209 633 H CB 1.688 31.396 29.762 -0.089 0.000 1.445 633 H HN -0.011 nan 8.280 nan 0.000 0.488 634 S N 3.228 118.632 115.700 -0.494 0.000 2.433 634 S HA 0.077 4.548 4.470 0.001 0.000 0.310 634 S C 1.263 175.637 174.600 -0.377 0.000 1.097 634 S CA -0.208 57.799 58.200 -0.321 0.000 1.103 634 S CB 1.152 64.130 63.200 -0.370 0.000 0.992 634 S HN 0.843 nan 8.310 nan 0.000 0.469 635 T N 3.811 118.342 114.554 -0.039 0.000 2.904 635 T HA 0.019 4.369 4.350 0.001 0.000 0.267 635 T C 0.696 175.413 174.700 0.028 0.000 1.059 635 T CA 1.012 63.158 62.100 0.076 0.000 1.137 635 T CB -0.120 68.833 68.868 0.142 0.000 0.879 635 T HN 0.451 nan 8.240 nan 0.000 0.467 636 V N 1.583 121.522 119.914 0.040 0.000 2.583 636 V HA 0.539 4.659 4.120 0.001 0.000 0.287 636 V C -0.666 175.517 176.094 0.148 0.000 1.051 636 V CA -0.357 62.001 62.300 0.097 0.000 1.010 636 V CB 1.158 33.069 31.823 0.148 0.000 0.988 636 V HN 0.350 nan 8.190 nan 0.000 0.478 637 K N 5.266 125.743 120.400 0.128 0.000 2.426 637 K HA 0.608 4.928 4.320 0.001 0.000 0.251 637 K C -1.147 175.492 176.600 0.066 0.000 0.941 637 K CA -0.363 56.008 56.287 0.141 0.000 0.808 637 K CB 2.079 34.609 32.500 0.050 0.000 1.265 637 K HN 0.582 nan 8.250 nan 0.000 0.432 638 L N 4.852 126.083 121.223 0.013 0.000 2.589 638 L HA 0.496 4.837 4.340 0.001 0.000 0.244 638 L C -0.793 176.054 176.870 -0.038 0.000 1.159 638 L CA -0.427 54.360 54.840 -0.088 0.000 1.074 638 L CB -0.637 41.253 42.059 -0.283 0.000 1.391 638 L HN 0.514 nan 8.230 nan 0.000 0.423 639 I N -2.540 118.023 120.570 -0.012 0.000 2.563 639 I HA 0.732 4.902 4.170 0.001 0.000 0.281 639 I C -0.252 175.866 176.117 0.002 0.000 1.110 639 I CA -0.281 61.018 61.300 -0.003 0.000 1.073 639 I CB 1.233 39.236 38.000 0.004 0.000 1.215 639 I HN 0.228 nan 8.210 nan 0.000 0.460 640 D N 3.640 124.039 120.400 -0.002 0.000 3.171 640 D HA 0.397 5.037 4.640 0.001 0.000 0.125 640 D C -0.063 176.237 176.300 -0.000 0.000 1.374 640 D CA 0.895 54.893 54.000 -0.003 0.000 1.496 640 D CB 0.328 41.121 40.800 -0.012 0.000 1.853 640 D HN 0.513 nan 8.370 nan 0.000 0.273 641 D N -1.493 118.905 120.400 -0.004 0.000 2.135 641 D HA 0.395 5.035 4.640 0.001 0.000 0.318 641 D C 1.747 178.049 176.300 0.002 0.000 1.109 641 D CA 0.896 54.896 54.000 0.001 0.000 0.952 641 D CB 0.328 41.127 40.800 -0.001 0.000 1.816 641 D HN 0.511 nan 8.370 nan 0.000 0.528 642 A N 0.529 123.348 122.820 -0.002 0.000 2.014 642 A HA -0.006 4.314 4.320 0.001 0.000 0.218 642 A C 2.033 179.620 177.584 0.004 0.000 1.163 642 A CA 1.448 53.486 52.037 0.002 0.000 0.652 642 A CB -0.382 18.617 19.000 -0.002 0.000 0.808 642 A HN 0.153 nan 8.150 nan 0.000 0.449 643 S N -0.836 114.863 115.700 -0.003 0.000 2.439 643 S HA -0.019 4.451 4.470 0.001 0.000 0.224 643 S C 1.790 176.387 174.600 -0.005 0.000 1.029 643 S CA 1.015 59.209 58.200 -0.009 0.000 0.946 643 S CB -0.060 63.126 63.200 -0.023 0.000 0.797 643 S HN 0.336 nan 8.310 nan 0.000 0.504 644 V N 2.573 122.487 119.914 0.001 0.000 2.548 644 V HA -0.115 4.006 4.120 0.001 0.000 0.249 644 V C 2.599 178.702 176.094 0.015 0.000 1.055 644 V CA 1.766 64.071 62.300 0.008 0.000 1.065 644 V CB -0.981 30.848 31.823 0.011 0.000 0.681 644 V HN 0.658 nan 8.190 nan 0.000 0.462 645 S N 0.538 116.247 115.700 0.015 0.000 2.368 645 S HA -0.192 4.278 4.470 0.001 0.000 0.224 645 S C 2.096 176.709 174.600 0.022 0.000 1.029 645 S CA 0.821 59.033 58.200 0.020 0.000 0.988 645 S CB -0.417 62.795 63.200 0.020 0.000 0.838 645 S HN 0.484 nan 8.310 nan 0.000 0.462 646 R N 1.472 121.984 120.500 0.019 0.000 2.097 646 R HA -0.019 4.321 4.340 0.001 0.000 0.236 646 R C 2.439 178.711 176.300 -0.047 0.000 1.135 646 R CA 1.795 57.901 56.100 0.010 0.000 0.934 646 R CB -1.209 29.098 30.300 0.012 0.000 0.846 646 R HN 0.495 nan 8.270 nan 0.000 0.431 647 L N -0.056 121.166 121.223 -0.001 0.000 2.179 647 L HA 0.039 4.380 4.340 0.001 0.000 0.208 647 L C 2.602 179.561 176.870 0.148 0.000 1.096 647 L CA 0.865 55.757 54.840 0.087 0.000 0.779 647 L CB -0.543 41.604 42.059 0.148 0.000 0.922 647 L HN 0.139 nan 8.230 nan 0.000 0.443 648 A N 0.303 123.170 122.820 0.078 0.000 2.121 648 A HA -0.131 4.189 4.320 0.001 0.000 0.218 648 A C 2.271 179.885 177.584 0.050 0.000 1.154 648 A CA 1.806 53.887 52.037 0.074 0.000 0.679 648 A CB -0.771 18.257 19.000 0.046 0.000 0.795 648 A HN 0.507 nan 8.150 nan 0.000 0.458 649 T N -3.350 111.214 114.554 0.016 0.000 3.081 649 T HA 0.197 4.547 4.350 0.001 0.000 0.250 649 T C 1.246 175.906 174.700 -0.067 0.000 1.100 649 T CA 0.442 62.539 62.100 -0.005 0.000 1.038 649 T CB -0.023 68.855 68.868 0.016 0.000 0.962 649 T HN 0.186 nan 8.240 nan 0.000 0.516 650 I N -0.847 119.646 120.570 -0.128 0.000 3.616 650 I HA 0.376 4.546 4.170 0.001 0.000 0.296 650 I C 1.291 177.158 176.117 -0.416 0.000 1.226 650 I CA -0.384 60.708 61.300 -0.347 0.000 1.394 650 I CB -0.842 36.803 38.000 -0.592 0.000 1.171 650 I HN 0.186 nan 8.210 nan 0.000 0.442 651 F N 0.621 120.489 119.950 -0.137 0.000 2.559 651 F HA 0.082 4.609 4.527 0.001 0.000 0.286 651 F C 2.262 178.032 175.800 -0.049 0.000 1.108 651 F CA 0.369 58.304 58.000 -0.108 0.000 1.436 651 F CB -0.095 38.845 39.000 -0.099 0.000 1.130 651 F HN -0.012 nan 8.300 nan 0.000 0.584 652 D N 1.693 122.175 120.400 0.136 0.000 2.160 652 D HA -0.192 4.448 4.640 0.001 0.000 0.189 652 D C -0.623 175.706 176.300 0.048 0.000 1.003 652 D CA 2.029 56.076 54.000 0.078 0.000 0.846 652 D CB -1.158 39.674 40.800 0.053 0.000 0.949 652 D HN 0.127 nan 8.370 nan 0.000 0.446 653 P HA -0.048 nan 4.420 nan 0.000 0.223 653 P C 1.737 179.052 177.300 0.026 0.000 1.151 653 P CA 0.586 63.696 63.100 0.017 0.000 0.787 653 P CB -0.144 31.558 31.700 0.003 0.000 0.788 654 L N -0.955 120.278 121.223 0.016 0.000 2.599 654 L HA 0.043 4.383 4.340 0.001 0.000 0.230 654 L C 0.424 177.282 176.870 -0.020 0.000 1.141 654 L CA 0.419 55.267 54.840 0.012 0.000 0.877 654 L CB -0.452 41.578 42.059 -0.048 0.000 1.009 654 L HN -0.005 nan 8.230 nan 0.000 0.447 655 L N -3.362 117.875 121.223 0.023 0.000 2.457 655 L HA 0.477 4.817 4.340 0.001 0.000 0.259 655 L C -2.828 174.056 176.870 0.023 0.000 1.377 655 L CA -1.686 53.163 54.840 0.015 0.000 0.887 655 L CB 0.071 42.145 42.059 0.025 0.000 1.085 655 L HN -0.262 nan 8.230 nan 0.000 0.509 656 P HA 0.264 nan 4.420 nan 0.000 0.258 656 P C 0.709 178.018 177.300 0.015 0.000 1.187 656 P CA 1.463 64.574 63.100 0.019 0.000 0.767 656 P CB 0.381 32.091 31.700 0.017 0.000 0.770 657 E N 2.482 122.692 120.200 0.017 0.000 2.291 657 E HA -0.065 4.285 4.350 0.001 0.000 0.181 657 E C 1.156 177.764 176.600 0.014 0.000 1.480 657 E CA 1.430 57.838 56.400 0.013 0.000 0.674 657 E CB -2.363 27.343 29.700 0.009 0.000 1.108 657 E HN 0.980 nan 8.360 nan 0.000 0.357 658 G N -1.202 107.611 108.800 0.021 0.000 5.219 658 G HA2 0.117 4.077 3.960 0.001 0.000 0.267 658 G HA3 0.117 4.077 3.960 0.001 0.000 0.267 658 G C 1.454 176.366 174.900 0.020 0.000 1.495 658 G CA 2.149 47.265 45.100 0.027 0.000 0.988 658 G HN 2.194 nan 8.290 nan 0.000 0.707 659 K N 0.665 121.070 120.400 0.010 0.000 2.462 659 K HA 0.810 5.131 4.320 0.001 0.000 0.257 659 K C 0.647 177.228 176.600 -0.032 0.000 1.062 659 K CA 0.392 56.676 56.287 -0.006 0.000 0.923 659 K CB -0.354 32.143 32.500 -0.004 0.000 1.210 659 K HN 0.990 nan 8.250 nan 0.000 0.502 660 L N 2.297 123.488 121.223 -0.053 0.000 2.282 660 L HA 0.176 4.516 4.340 0.001 0.000 0.287 660 L C 0.661 177.517 176.870 -0.023 0.000 1.075 660 L CA -0.467 54.330 54.840 -0.071 0.000 0.839 660 L CB 1.046 43.057 42.059 -0.079 0.000 1.219 660 L HN 0.837 nan 8.230 nan 0.000 0.434 661 S N 5.810 121.503 115.700 -0.011 0.000 3.480 661 S HA -0.033 4.438 4.470 0.001 0.000 0.411 661 S C -1.367 173.294 174.600 0.103 0.000 1.164 661 S CA -0.805 57.419 58.200 0.040 0.000 1.084 661 S CB 0.442 63.676 63.200 0.057 0.000 0.759 661 S HN 0.438 nan 8.310 nan 0.000 0.515 662 P HA 0.013 nan 4.420 nan 0.000 0.220 662 P C 1.101 178.486 177.300 0.141 0.000 1.148 662 P CA 1.243 64.419 63.100 0.127 0.000 0.803 662 P CB -0.043 31.693 31.700 0.059 0.000 0.782 663 A N -1.798 121.061 122.820 0.065 0.000 2.239 663 A HA -0.138 4.183 4.320 0.001 0.000 0.209 663 A C 1.907 179.405 177.584 -0.143 0.000 1.171 663 A CA 1.268 53.281 52.037 -0.041 0.000 0.768 663 A CB -1.401 17.568 19.000 -0.051 0.000 0.790 663 A HN 0.302 nan 8.150 nan 0.000 0.478 664 H N -3.734 115.305 119.070 -0.053 0.000 2.594 664 H HA 0.081 4.637 4.556 0.001 0.000 0.274 664 H C 1.632 177.032 175.328 0.119 0.000 0.982 664 H CA 0.470 56.538 56.048 0.034 0.000 1.228 664 H CB -0.069 29.773 29.762 0.133 0.000 1.447 664 H HN 0.364 nan 8.280 nan 0.000 0.485 665 Y N 1.543 121.985 120.300 0.236 0.000 2.384 665 Y HA -0.218 4.332 4.550 0.001 0.000 0.289 665 Y C 2.464 178.410 175.900 0.076 0.000 1.152 665 Y CA 2.290 60.476 58.100 0.144 0.000 1.258 665 Y CB -0.624 37.884 38.460 0.080 0.000 0.979 665 Y HN 0.496 nan 8.280 nan 0.000 0.549 666 Q N -0.582 119.239 119.800 0.036 0.000 2.096 666 Q HA -0.132 4.208 4.340 0.001 0.000 0.197 666 Q C 1.961 177.917 176.000 -0.073 0.000 0.964 666 Q CA 1.779 57.538 55.803 -0.073 0.000 0.838 666 Q CB -1.274 27.420 28.738 -0.073 0.000 0.906 666 Q HN 0.867 nan 8.270 nan 0.000 0.444 667 H N 0.464 119.499 119.070 -0.059 0.000 2.290 667 H HA -0.052 4.504 4.556 0.001 0.000 0.298 667 H C 2.254 177.532 175.328 -0.083 0.000 1.087 667 H CA 1.606 57.593 56.048 -0.101 0.000 1.291 667 H CB -0.006 29.631 29.762 -0.209 0.000 1.369 667 H HN 0.675 nan 8.280 nan 0.000 0.492 668 I N -0.835 119.768 120.570 0.056 0.000 3.111 668 I HA -0.073 4.098 4.170 0.001 0.000 0.272 668 I C 1.580 177.680 176.117 -0.030 0.000 1.268 668 I CA 0.774 62.109 61.300 0.059 0.000 1.467 668 I CB -0.149 37.914 38.000 0.104 0.000 1.087 668 I HN 0.151 nan 8.210 nan 0.000 0.467 669 L N 1.380 122.511 121.223 -0.154 0.000 1.976 669 L HA -0.160 4.180 4.340 0.001 0.000 0.209 669 L C 3.164 180.014 176.870 -0.034 0.000 1.071 669 L CA 2.093 56.824 54.840 -0.181 0.000 0.746 669 L CB -0.907 41.013 42.059 -0.233 0.000 0.890 669 L HN 0.548 nan 8.230 nan 0.000 0.432 670 S N -0.292 115.407 115.700 -0.002 0.000 2.362 670 S HA 0.043 4.514 4.470 0.001 0.000 0.221 670 S C 1.928 176.555 174.600 0.044 0.000 1.032 670 S CA 0.984 59.197 58.200 0.022 0.000 0.973 670 S CB -0.437 62.776 63.200 0.022 0.000 0.849 670 S HN 0.322 nan 8.310 nan 0.000 0.465 671 A N -0.987 121.869 122.820 0.061 0.000 2.261 671 A HA 0.390 4.710 4.320 0.001 0.000 0.208 671 A C 0.611 178.230 177.584 0.058 0.000 1.223 671 A CA 0.223 52.283 52.037 0.038 0.000 0.833 671 A CB -0.544 18.467 19.000 0.018 0.000 0.830 671 A HN 0.564 nan 8.150 nan 0.000 0.483 672 Y N -1.298 119.002 120.300 0.001 0.000 2.713 672 Y HA 0.324 4.875 4.550 0.001 0.000 0.269 672 Y C 1.264 177.168 175.900 0.007 0.000 1.106 672 Y CA 0.399 58.509 58.100 0.016 0.000 1.174 672 Y CB -0.671 37.809 38.460 0.032 0.000 1.186 672 Y HN 0.726 nan 8.280 nan 0.000 0.555 673 H N -1.249 117.858 119.070 0.062 0.000 2.690 673 H HA 0.025 4.582 4.556 0.001 0.000 0.309 673 H C -0.576 174.784 175.328 0.054 0.000 1.138 673 H CA 1.136 57.206 56.048 0.036 0.000 1.142 673 H CB -2.186 27.580 29.762 0.007 0.000 1.410 673 H HN 0.865 nan 8.280 nan 0.000 0.409 674 L N -0.315 120.947 121.223 0.066 0.000 2.673 674 L HA 0.692 5.033 4.340 0.001 0.000 0.255 674 L C 0.766 177.650 176.870 0.023 0.000 1.015 674 L CA 0.412 55.281 54.840 0.048 0.000 0.930 674 L CB 0.204 42.301 42.059 0.063 0.000 1.185 674 L HN 0.684 nan 8.230 nan 0.000 0.457 675 T N -0.231 114.328 114.554 0.009 0.000 2.673 675 T HA 0.331 4.681 4.350 0.001 0.000 0.248 675 T C 1.021 175.721 174.700 -0.000 0.000 1.080 675 T CA 1.580 63.672 62.100 -0.013 0.000 1.203 675 T CB 0.051 68.915 68.868 -0.007 0.000 0.893 675 T HN 1.304 nan 8.240 nan 0.000 0.404 676 D N -0.093 120.315 120.400 0.015 0.000 2.274 676 D HA 0.706 5.347 4.640 0.001 0.000 0.239 676 D C 0.373 176.689 176.300 0.026 0.000 1.104 676 D CA -0.004 54.011 54.000 0.025 0.000 0.840 676 D CB 0.849 41.664 40.800 0.026 0.000 1.100 676 D HN 0.442 nan 8.370 nan 0.000 0.477 677 A N 1.343 124.181 122.820 0.030 0.000 1.730 677 A HA 0.789 5.110 4.320 0.001 0.000 0.160 677 A C 0.870 178.473 177.584 0.030 0.000 1.746 677 A CA 0.909 52.963 52.037 0.029 0.000 1.283 677 A CB 0.687 19.705 19.000 0.030 0.000 0.995 677 A HN 1.312 nan 8.150 nan 0.000 0.764 678 T N -0.617 113.958 114.554 0.035 0.000 3.486 678 T HA 0.411 4.762 4.350 0.001 0.000 0.375 678 T C -2.741 171.986 174.700 0.044 0.000 1.459 678 T CA -0.232 61.889 62.100 0.035 0.000 1.151 678 T CB 1.821 70.706 68.868 0.028 0.000 1.336 678 T HN 0.008 nan 8.240 nan 0.000 0.477 679 P HA -0.146 nan 4.420 nan 0.000 0.218 679 P C 1.324 178.657 177.300 0.055 0.000 1.148 679 P CA 1.035 64.167 63.100 0.054 0.000 0.822 679 P CB 0.252 31.972 31.700 0.033 0.000 0.784 680 Q N 0.388 120.213 119.800 0.042 0.000 2.084 680 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 680 Q C 2.417 178.449 176.000 0.053 0.000 0.978 680 Q CA 2.568 58.400 55.803 0.049 0.000 0.844 680 Q CB -0.279 28.482 28.738 0.038 0.000 0.898 680 Q HN 0.191 nan 8.270 nan 0.000 0.426 681 K N 0.299 120.722 120.400 0.038 0.000 2.098 681 K HA -0.094 4.227 4.320 0.001 0.000 0.203 681 K C 1.671 178.281 176.600 0.017 0.000 1.051 681 K CA 1.171 57.468 56.287 0.017 0.000 0.957 681 K CB -0.604 31.905 32.500 0.016 0.000 0.738 681 K HN 0.360 nan 8.250 nan 0.000 0.447 682 Q N -0.246 119.582 119.800 0.047 0.000 2.135 682 Q HA -0.075 4.266 4.340 0.001 0.000 0.204 682 Q C 2.558 178.621 176.000 0.105 0.000 0.981 682 Q CA 1.449 57.295 55.803 0.071 0.000 0.856 682 Q CB -0.355 28.445 28.738 0.103 0.000 0.902 682 Q HN 0.640 nan 8.270 nan 0.000 0.425 683 A N 1.450 124.343 122.820 0.122 0.000 1.858 683 A HA -0.249 4.072 4.320 0.001 0.000 0.216 683 A C 1.858 179.541 177.584 0.166 0.000 1.190 683 A CA 1.654 53.806 52.037 0.190 0.000 0.617 683 A CB -0.487 18.639 19.000 0.210 0.000 0.827 683 A HN 0.370 nan 8.150 nan 0.000 0.443 684 E N -0.621 119.599 120.200 0.032 0.000 2.085 684 E HA -0.143 4.207 4.350 0.001 0.000 0.194 684 E C 2.080 178.572 176.600 -0.179 0.000 0.994 684 E CA 1.583 57.848 56.400 -0.225 0.000 0.801 684 E CB -0.491 28.940 29.700 -0.449 0.000 0.743 684 E HN 0.633 nan 8.360 nan 0.000 0.453 685 T N 2.515 117.018 114.554 -0.085 0.000 2.569 685 T HA -0.168 4.183 4.350 0.001 0.000 0.263 685 T C 1.998 176.677 174.700 -0.035 0.000 1.074 685 T CA 1.616 63.666 62.100 -0.084 0.000 1.176 685 T CB -0.365 68.460 68.868 -0.072 0.000 0.863 685 T HN 0.300 nan 8.240 nan 0.000 0.410 686 L N -0.633 120.613 121.223 0.040 0.000 2.591 686 L HA 0.376 4.716 4.340 0.001 0.000 0.228 686 L C 2.124 179.086 176.870 0.154 0.000 1.133 686 L CA 0.460 55.343 54.840 0.070 0.000 0.880 686 L CB -0.641 41.471 42.059 0.088 0.000 1.033 686 L HN 0.084 nan 8.230 nan 0.000 0.450 687 F N 1.065 121.058 119.950 0.071 0.000 2.075 687 F HA -0.193 4.334 4.527 0.001 0.000 0.297 687 F C 2.403 178.260 175.800 0.094 0.000 1.113 687 F CA 1.964 60.031 58.000 0.113 0.000 1.218 687 F CB -0.548 38.512 39.000 0.100 0.000 0.984 687 F HN 0.171 nan 8.300 nan 0.000 0.472 688 C N 0.904 120.308 119.300 0.174 0.000 2.398 688 C HA -0.206 4.254 4.460 0.001 0.000 0.276 688 C C 2.797 177.822 174.990 0.058 0.000 1.222 688 C CA 1.218 60.282 59.018 0.076 0.000 1.746 688 C CB -1.559 26.207 27.740 0.043 0.000 2.039 688 C HN 0.550 nan 8.230 nan 0.000 0.470 689 L N 0.495 121.782 121.223 0.107 0.000 2.187 689 L HA -0.173 4.167 4.340 0.001 0.000 0.213 689 L C 2.706 179.771 176.870 0.326 0.000 1.100 689 L CA 1.665 56.669 54.840 0.273 0.000 0.765 689 L CB -0.481 41.705 42.059 0.213 0.000 0.904 689 L HN 0.408 nan 8.230 nan 0.000 0.437 690 S N -1.097 114.647 115.700 0.074 0.000 2.377 690 S HA -0.161 4.310 4.470 0.001 0.000 0.223 690 S C 2.115 176.710 174.600 -0.009 0.000 1.030 690 S CA 1.478 59.674 58.200 -0.007 0.000 0.970 690 S CB -0.183 62.918 63.200 -0.166 0.000 0.830 690 S HN 0.594 nan 8.310 nan 0.000 0.473 691 T N -0.404 114.057 114.554 -0.155 0.000 3.072 691 T HA 0.253 4.604 4.350 0.001 0.000 0.266 691 T C 1.597 176.316 174.700 0.032 0.000 1.127 691 T CA 1.130 63.151 62.100 -0.132 0.000 1.107 691 T CB -0.313 68.434 68.868 -0.201 0.000 0.910 691 T HN 0.359 nan 8.240 nan 0.000 0.513 692 A N 0.361 123.278 122.820 0.162 0.000 1.878 692 A HA 0.322 4.642 4.320 0.001 0.000 0.213 692 A C 1.799 179.539 177.584 0.260 0.000 1.192 692 A CA 0.561 52.748 52.037 0.251 0.000 0.619 692 A CB -0.790 18.388 19.000 0.296 0.000 0.837 692 A HN 0.517 nan 8.150 nan 0.000 0.446 693 F N 0.144 120.312 119.950 0.362 0.000 2.367 693 F HA 0.122 4.650 4.527 0.001 0.000 0.298 693 F C 2.642 178.590 175.800 0.246 0.000 1.094 693 F CA 0.544 58.824 58.000 0.468 0.000 1.409 693 F CB -0.186 39.117 39.000 0.506 0.000 1.064 693 F HN 0.254 nan 8.300 nan 0.000 0.528 694 A N 0.314 123.292 122.820 0.264 0.000 1.865 694 A HA -0.256 4.064 4.320 0.001 0.000 0.217 694 A C 2.212 179.796 177.584 -0.000 0.000 1.191 694 A CA 1.999 54.134 52.037 0.164 0.000 0.623 694 A CB -0.737 18.339 19.000 0.127 0.000 0.826 694 A HN 0.267 nan 8.150 nan 0.000 0.444 695 R N -1.485 118.926 120.500 -0.148 0.000 2.091 695 R HA -0.174 4.167 4.340 0.001 0.000 0.238 695 R C 1.917 177.868 176.300 -0.582 0.000 1.136 695 R CA 1.946 57.761 56.100 -0.474 0.000 0.959 695 R CB -0.804 29.038 30.300 -0.764 0.000 0.856 695 R HN 0.693 nan 8.270 nan 0.000 0.437 696 Y N -0.307 119.736 120.300 -0.428 0.000 2.151 696 Y HA -0.309 4.242 4.550 0.001 0.000 0.284 696 Y C 2.519 178.333 175.900 -0.143 0.000 1.166 696 Y CA 1.547 59.475 58.100 -0.286 0.000 1.163 696 Y CB -0.013 38.445 38.460 -0.003 0.000 0.974 696 Y HN 0.345 nan 8.280 nan 0.000 0.511 697 S N -0.869 114.903 115.700 0.120 0.000 2.524 697 S HA 0.030 4.500 4.470 0.001 0.000 0.216 697 S C 0.953 175.546 174.600 -0.012 0.000 0.987 697 S CA -0.046 58.210 58.200 0.093 0.000 0.909 697 S CB -0.502 62.770 63.200 0.119 0.000 0.781 697 S HN 0.300 nan 8.310 nan 0.000 0.521 698 S N 1.815 117.455 115.700 -0.100 0.000 2.617 698 S HA 0.456 4.927 4.470 0.001 0.000 0.259 698 S C 0.414 174.893 174.600 -0.200 0.000 1.301 698 S CA -0.117 57.991 58.200 -0.153 0.000 0.984 698 S CB 0.610 63.693 63.200 -0.196 0.000 0.954 698 S HN 0.459 nan 8.310 nan 0.000 0.572 699 S N 0.035 115.599 115.700 -0.225 0.000 2.580 699 S HA 0.391 4.862 4.470 0.001 0.000 0.261 699 S C 1.381 175.775 174.600 -0.344 0.000 1.366 699 S CA 0.606 58.643 58.200 -0.271 0.000 0.996 699 S CB -0.551 62.469 63.200 -0.300 0.000 0.902 699 S HN 2.380 nan 8.310 nan 0.000 0.566 700 A N 1.414 124.017 122.820 -0.361 0.000 4.159 700 A HA -0.202 4.118 4.320 0.001 0.000 0.263 700 A C 0.863 178.114 177.584 -0.555 0.000 0.889 700 A CA 1.676 53.456 52.037 -0.428 0.000 1.227 700 A CB -2.431 16.377 19.000 -0.321 0.000 1.051 700 A HN 0.795 nan 8.150 nan 0.000 0.820 701 I N -3.506 116.768 120.570 -0.493 0.000 4.640 701 I HA 0.389 4.560 4.170 0.001 0.000 0.246 701 I C 1.409 177.290 176.117 -0.394 0.000 0.683 701 I CA -0.032 60.934 61.300 -0.557 0.000 2.740 701 I CB 0.045 37.621 38.000 -0.707 0.000 1.472 701 I HN 0.136 nan 8.210 nan 0.000 0.518 702 F N 0.989 120.821 119.950 -0.196 0.000 2.773 702 F HA 0.338 4.865 4.527 0.000 0.000 0.304 702 F C 0.854 176.577 175.800 -0.128 0.000 1.129 702 F CA -0.282 57.625 58.000 -0.155 0.000 1.378 702 F CB 0.431 39.327 39.000 -0.173 0.000 1.095 702 F HN 0.178 nan 8.300 nan 0.000 0.565 703 G N -0.251 108.552 108.800 0.005 0.000 2.672 703 G HA2 0.463 4.423 3.960 0.001 0.000 0.292 703 G HA3 0.463 4.423 3.960 0.001 0.000 0.292 703 G C -0.928 173.913 174.900 -0.098 0.000 1.375 703 G CA -0.577 44.502 45.100 -0.034 0.000 0.890 703 G HN -0.063 nan 8.290 nan 0.000 0.476 704 T N -2.007 112.491 114.554 -0.093 0.000 2.912 704 T HA 0.390 4.741 4.350 0.001 0.000 0.280 704 T C 0.869 175.452 174.700 -0.196 0.000 0.989 704 T CA -0.300 61.725 62.100 -0.125 0.000 0.995 704 T CB 1.716 70.535 68.868 -0.083 0.000 1.077 704 T HN 0.355 nan 8.240 nan 0.000 0.531 705 E N -0.083 119.962 120.200 -0.258 0.000 2.448 705 E HA -0.038 4.312 4.350 0.001 0.000 0.203 705 E C 1.599 177.754 176.600 -0.743 0.000 1.046 705 E CA 2.020 58.155 56.400 -0.442 0.000 0.871 705 E CB -0.677 28.763 29.700 -0.433 0.000 0.790 705 E HN 0.936 nan 8.360 nan 0.000 0.545 706 H N -2.100 116.674 119.070 -0.493 0.000 3.480 706 H HA 0.487 5.044 4.556 0.001 0.000 0.257 706 H C 0.027 175.279 175.328 -0.126 0.000 1.196 706 H CA 0.187 56.007 56.048 -0.380 0.000 1.100 706 H CB -0.275 29.307 29.762 -0.299 0.000 1.683 706 H HN 0.176 nan 8.280 nan 0.000 0.702 707 D N 0.825 121.159 120.400 -0.110 0.000 2.336 707 D HA 0.536 5.177 4.640 0.001 0.000 0.248 707 D C -0.087 176.189 176.300 -0.039 0.000 1.326 707 D CA 0.073 54.046 54.000 -0.044 0.000 0.973 707 D CB 0.607 41.395 40.800 -0.019 0.000 1.255 707 D HN 0.953 nan 8.370 nan 0.000 0.558 708 S N 0.837 116.523 115.700 -0.023 0.000 2.472 708 S HA 0.796 5.266 4.470 0.001 0.000 0.303 708 S C -2.912 171.695 174.600 0.013 0.000 1.099 708 S CA -1.496 56.700 58.200 -0.007 0.000 1.077 708 S CB 1.641 64.839 63.200 -0.004 0.000 1.031 708 S HN 0.187 nan 8.310 nan 0.000 0.487 709 P HA 0.096 nan 4.420 nan 0.000 0.258 709 P C -1.666 175.635 177.300 0.001 0.000 1.187 709 P CA -0.908 62.196 63.100 0.008 0.000 0.767 709 P CB 0.098 31.803 31.700 0.008 0.000 0.770 710 P HA -0.299 nan 4.420 nan 0.000 0.214 710 P C 1.190 178.469 177.300 -0.035 0.000 1.169 710 P CA 1.926 65.031 63.100 0.009 0.000 0.908 710 P CB -0.226 31.486 31.700 0.021 0.000 0.791 711 A N -0.130 122.645 122.820 -0.076 0.000 1.908 711 A HA -0.164 4.156 4.320 0.001 0.000 0.218 711 A C 2.491 179.812 177.584 -0.439 0.000 1.181 711 A CA 1.598 53.518 52.037 -0.195 0.000 0.627 711 A CB -1.680 17.239 19.000 -0.134 0.000 0.818 711 A HN 0.138 nan 8.150 nan 0.000 0.445 712 L N -1.317 119.696 121.223 -0.351 0.000 2.201 712 L HA -0.134 4.207 4.340 0.001 0.000 0.212 712 L C 2.744 179.576 176.870 -0.063 0.000 1.105 712 L CA 0.986 55.684 54.840 -0.237 0.000 0.775 712 L CB -0.347 41.724 42.059 0.020 0.000 0.913 712 L HN 0.383 nan 8.230 nan 0.000 0.440 713 R N -0.601 119.874 120.500 -0.041 0.000 2.200 713 R HA -0.011 4.329 4.340 0.001 0.000 0.208 713 R C 2.249 178.447 176.300 -0.171 0.000 1.033 713 R CA 0.808 56.910 56.100 0.004 0.000 1.000 713 R CB -0.231 30.157 30.300 0.147 0.000 0.906 713 R HN 0.365 nan 8.270 nan 0.000 0.462 714 G N 0.121 108.842 108.800 -0.133 0.000 2.404 714 G HA2 -0.304 3.656 3.960 0.001 0.000 0.214 714 G HA3 -0.304 3.656 3.960 0.001 0.000 0.214 714 G C 1.186 175.995 174.900 -0.152 0.000 1.189 714 G CA 0.244 45.279 45.100 -0.108 0.000 0.789 714 G HN 0.260 nan 8.290 nan 0.000 0.533 715 Y N 2.068 122.177 120.300 -0.318 0.000 2.224 715 Y HA 0.003 4.554 4.550 0.001 0.000 0.289 715 Y C 2.912 178.617 175.900 -0.325 0.000 1.146 715 Y CA 1.199 59.115 58.100 -0.306 0.000 1.182 715 Y CB -0.245 37.964 38.460 -0.420 0.000 0.983 715 Y HN 0.250 nan 8.280 nan 0.000 0.524 716 A N -0.164 122.475 122.820 -0.301 0.000 1.873 716 A HA -0.182 4.138 4.320 0.001 0.000 0.215 716 A C 2.257 179.365 177.584 -0.793 0.000 1.186 716 A CA 1.731 53.490 52.037 -0.463 0.000 0.616 716 A CB -0.731 18.012 19.000 -0.428 0.000 0.823 716 A HN 0.484 nan 8.150 nan 0.000 0.442 717 E N 0.318 119.895 120.200 -1.038 0.000 2.106 717 E HA -0.132 4.218 4.350 0.001 0.000 0.192 717 E C 2.205 178.662 176.600 -0.239 0.000 0.984 717 E CA 1.134 57.105 56.400 -0.716 0.000 0.806 717 E CB -0.295 29.125 29.700 -0.467 0.000 0.750 717 E HN 0.464 nan 8.360 nan 0.000 0.458 718 A N 1.237 123.907 122.820 -0.249 0.000 1.940 718 A HA -0.108 4.212 4.320 0.001 0.000 0.219 718 A C 1.719 179.210 177.584 -0.155 0.000 1.176 718 A CA 0.768 52.702 52.037 -0.171 0.000 0.631 718 A CB -0.473 18.386 19.000 -0.236 0.000 0.814 718 A HN 0.201 nan 8.150 nan 0.000 0.446 722 K N 1.372 121.850 120.400 0.129 0.000 2.522 722 K HA 0.537 4.857 4.320 0.001 0.000 0.194 722 K C 1.295 177.982 176.600 0.145 0.000 1.026 722 K CA 1.242 57.563 56.287 0.056 0.000 1.119 722 K CB -0.139 32.339 32.500 -0.037 0.000 0.856 722 K HN 0.650 nan 8.250 nan 0.000 0.513 723 A N -0.618 122.368 122.820 0.277 0.000 2.229 723 A HA 0.064 4.384 4.320 0.001 0.000 0.211 723 A C 1.670 179.457 177.584 0.340 0.000 1.193 723 A CA -0.208 52.072 52.037 0.405 0.000 0.879 723 A CB -0.692 18.713 19.000 0.675 0.000 0.911 723 A HN 0.594 nan 8.150 nan 0.000 0.492 724 W N 1.580 122.806 121.300 -0.124 0.000 2.476 724 W HA -0.058 4.602 4.660 0.001 0.000 0.281 724 W C 1.116 177.451 176.519 -0.307 0.000 1.230 724 W CA 1.607 58.624 57.345 -0.547 0.000 1.287 724 W CB 0.102 28.905 29.460 -1.095 0.000 1.108 724 W HN 0.542 nan 8.180 nan 0.000 0.567 725 E N 0.619 120.798 120.200 -0.034 0.000 2.208 725 E HA -0.147 4.204 4.350 0.001 0.000 0.193 725 E C 2.123 178.666 176.600 -0.094 0.000 0.988 725 E CA 0.872 57.235 56.400 -0.063 0.000 0.828 725 E CB -0.249 29.443 29.700 -0.012 0.000 0.763 725 E HN 0.279 nan 8.360 nan 0.000 0.478 726 L N -0.254 120.941 121.223 -0.047 0.000 1.972 726 L HA 0.025 4.366 4.340 0.001 0.000 0.209 726 L C 1.253 178.091 176.870 -0.054 0.000 1.125 726 L CA 0.538 55.372 54.840 -0.009 0.000 0.784 726 L CB -0.024 42.079 42.059 0.074 0.000 0.902 726 L HN -0.110 nan 8.230 nan 0.000 0.444 727 S N 0.510 116.200 115.700 -0.016 0.000 2.406 727 S HA 0.309 4.779 4.470 0.001 0.000 0.224 727 S C -1.875 172.684 174.600 -0.068 0.000 1.426 727 S CA -1.496 56.675 58.200 -0.048 0.000 1.179 727 S CB 0.764 63.976 63.200 0.020 0.000 1.042 727 S HN 0.037 nan 8.310 nan 0.000 0.479 728 P HA 0.051 nan 4.420 nan 0.000 0.230 728 P C 1.114 178.195 177.300 -0.364 0.000 1.158 728 P CA 0.413 63.024 63.100 -0.815 0.000 0.769 728 P CB 0.084 30.728 31.700 -1.761 0.000 0.807 729 A N 0.794 123.494 122.820 -0.200 0.000 2.121 729 A HA -0.099 4.221 4.320 0.001 0.000 0.218 729 A C 2.062 179.646 177.584 0.000 0.000 1.154 729 A CA 0.996 52.974 52.037 -0.100 0.000 0.679 729 A CB -1.431 17.514 19.000 -0.091 0.000 0.795 729 A HN 0.388 nan 8.150 nan 0.000 0.458 730 I N -5.011 115.616 120.570 0.095 0.000 3.059 730 I HA 0.202 4.372 4.170 0.001 0.000 0.270 730 I C 0.803 176.980 176.117 0.099 0.000 1.238 730 I CA -0.071 61.280 61.300 0.086 0.000 1.478 730 I CB -0.204 37.869 38.000 0.121 0.000 1.097 730 I HN 0.083 nan 8.210 nan 0.000 0.455 731 F N 1.511 121.445 119.950 -0.026 0.000 2.373 731 F HA 0.417 4.944 4.527 0.001 0.000 0.302 731 F C -0.004 175.750 175.800 -0.076 0.000 1.247 731 F CA -0.445 57.548 58.000 -0.012 0.000 1.169 731 F CB -0.341 38.748 39.000 0.149 0.000 1.309 731 F HN -0.330 nan 8.300 nan 0.000 0.537 732 P HA 0.349 nan 4.420 nan 0.000 0.216 732 P C -0.282 177.030 177.300 0.020 0.000 1.154 732 P CA 1.825 64.884 63.100 -0.069 0.000 0.857 732 P CB 0.082 31.661 31.700 -0.202 0.000 0.787 733 S N -4.031 111.719 115.700 0.082 0.000 2.578 733 S HA 0.600 5.071 4.470 0.001 0.000 0.272 733 S C 1.307 176.039 174.600 0.220 0.000 1.145 733 S CA 0.731 58.995 58.200 0.106 0.000 0.835 733 S CB -0.242 62.966 63.200 0.013 0.000 1.104 733 S HN 0.321 nan 8.310 nan 0.000 0.458 734 S N 0.008 115.858 115.700 0.250 0.000 2.419 734 S HA 0.224 4.695 4.470 0.001 0.000 0.233 734 S C 1.854 176.474 174.600 0.034 0.000 1.016 734 S CA 2.563 60.905 58.200 0.237 0.000 0.974 734 S CB -0.864 62.469 63.200 0.221 0.000 0.786 734 S HN 1.528 nan 8.310 nan 0.000 0.492 735 E N 0.663 120.863 120.200 0.001 0.000 2.077 735 E HA -0.180 4.170 4.350 0.001 0.000 0.193 735 E C 2.078 178.577 176.600 -0.169 0.000 0.989 735 E CA 1.436 57.792 56.400 -0.074 0.000 0.800 735 E CB -0.754 28.907 29.700 -0.066 0.000 0.746 735 E HN 0.701 nan 8.360 nan 0.000 0.452 736 Q N -1.278 118.394 119.800 -0.213 0.000 2.046 736 Q HA -0.045 4.296 4.340 0.001 0.000 0.200 736 Q C 2.200 177.963 176.000 -0.395 0.000 0.975 736 Q CA 1.440 56.928 55.803 -0.525 0.000 0.836 736 Q CB -0.501 27.807 28.738 -0.717 0.000 0.896 736 Q HN 0.659 nan 8.270 nan 0.000 0.428 737 F N 1.787 121.636 119.950 -0.168 0.000 2.065 737 F HA -0.252 4.276 4.527 0.001 0.000 0.298 737 F C 2.154 177.897 175.800 -0.095 0.000 1.112 737 F CA 2.076 60.060 58.000 -0.028 0.000 1.212 737 F CB -0.702 37.996 39.000 -0.503 0.000 0.975 737 F HN 0.011 nan 8.300 nan 0.000 0.476 738 T N 0.317 114.599 114.554 -0.452 0.000 2.708 738 T HA -0.220 4.130 4.350 0.001 0.000 0.266 738 T C 1.896 176.421 174.700 -0.290 0.000 1.037 738 T CA 1.506 63.337 62.100 -0.447 0.000 1.146 738 T CB -0.464 68.253 68.868 -0.251 0.000 0.865 738 T HN 0.343 nan 8.240 nan 0.000 0.435 739 E N -0.249 119.790 120.200 -0.268 0.000 2.085 739 E HA -0.151 4.199 4.350 0.001 0.000 0.194 739 E C 2.007 178.455 176.600 -0.254 0.000 0.994 739 E CA 1.178 57.394 56.400 -0.308 0.000 0.801 739 E CB -0.062 29.413 29.700 -0.375 0.000 0.743 739 E HN 0.564 nan 8.360 nan 0.000 0.453 740 W N 0.839 122.001 121.300 -0.230 0.000 2.452 740 W HA -0.072 4.588 4.660 0.001 0.000 0.313 740 W C 2.822 179.146 176.519 -0.325 0.000 1.176 740 W CA 1.388 58.563 57.345 -0.284 0.000 1.350 740 W CB -1.536 27.898 29.460 -0.043 0.000 1.148 740 W HN 0.161 nan 8.180 nan 0.000 0.498 741 S N 0.181 115.907 115.700 0.044 0.000 2.407 741 S HA -0.223 4.248 4.470 0.001 0.000 0.235 741 S C 1.376 175.989 174.600 0.022 0.000 1.036 741 S CA 1.789 60.002 58.200 0.022 0.000 1.013 741 S CB -0.618 62.257 63.200 -0.542 0.000 0.820 741 S HN 0.095 nan 8.310 nan 0.000 0.476 742 D N 1.813 122.195 120.400 -0.031 0.000 2.120 742 D HA -0.045 4.595 4.640 0.001 0.000 0.216 742 D C 2.058 178.336 176.300 -0.038 0.000 0.999 742 D CA 1.301 55.350 54.000 0.082 0.000 0.903 742 D CB -0.643 40.179 40.800 0.036 0.000 1.104 742 D HN 0.221 nan 8.370 nan 0.000 0.466 743 R N -0.170 120.241 120.500 -0.149 0.000 2.431 743 R HA -0.262 4.079 4.340 0.001 0.000 0.236 743 R C 2.418 178.578 176.300 -0.235 0.000 0.999 743 R CA 1.847 57.814 56.100 -0.222 0.000 0.876 743 R CB -1.368 28.706 30.300 -0.377 0.000 0.940 743 R HN 0.301 nan 8.270 nan 0.000 0.433 744 F N -0.653 119.177 119.950 -0.201 0.000 2.192 744 F HA -0.206 4.321 4.527 0.001 0.000 0.301 744 F C 1.168 176.748 175.800 -0.366 0.000 1.079 744 F CA 1.045 58.858 58.000 -0.311 0.000 1.303 744 F CB -0.254 38.498 39.000 -0.414 0.000 1.024 744 F HN 0.248 nan 8.300 nan 0.000 0.494 745 H N -1.293 117.869 119.070 0.153 0.000 2.573 745 H HA 0.397 4.954 4.556 0.001 0.000 0.351 745 H C 0.503 175.869 175.328 0.062 0.000 1.163 745 H CA -0.745 55.355 56.048 0.087 0.000 1.205 745 H CB 1.106 30.907 29.762 0.064 0.000 1.605 745 H HN -0.047 nan 8.280 nan 0.000 0.525 746 G N 0.511 109.417 108.800 0.177 0.000 3.209 746 G HA2 0.348 4.308 3.960 0.001 0.000 0.274 746 G HA3 0.348 4.308 3.960 0.001 0.000 0.274 746 G C 0.838 175.803 174.900 0.107 0.000 0.850 746 G CA 0.100 45.272 45.100 0.119 0.000 1.907 746 G HN 0.617 nan 8.290 nan 0.000 0.591 747 L N 0.170 121.472 121.223 0.133 0.000 2.640 747 L HA 0.522 4.862 4.340 0.001 0.000 0.230 747 L C 0.808 177.723 176.870 0.075 0.000 1.123 747 L CA 0.406 55.306 54.840 0.099 0.000 0.900 747 L CB -1.026 41.102 42.059 0.116 0.000 1.146 747 L HN 0.525 nan 8.230 nan 0.000 0.484 748 H N -0.577 118.506 119.070 0.021 0.000 2.448 748 H HA 0.519 5.075 4.556 0.001 0.000 0.237 748 H C 0.966 176.313 175.328 0.031 0.000 1.391 748 H CA 0.105 56.163 56.048 0.017 0.000 1.477 748 H CB 0.533 30.297 29.762 0.004 0.000 1.520 748 H HN 0.633 nan 8.280 nan 0.000 0.502 749 G N 1.971 110.806 108.800 0.058 0.000 2.574 749 G HA2 -0.080 3.880 3.960 0.001 0.000 0.286 749 G HA3 -0.080 3.880 3.960 0.001 0.000 0.286 749 G C 0.350 175.314 174.900 0.107 0.000 1.212 749 G CA 0.122 45.270 45.100 0.079 0.000 0.979 749 G HN 1.369 nan 8.290 nan 0.000 0.557 750 A N -2.649 120.261 122.820 0.151 0.000 2.186 750 A HA 0.600 4.921 4.320 0.001 0.000 0.227 750 A C -0.486 177.235 177.584 0.228 0.000 2.718 750 A CA 0.876 53.002 52.037 0.149 0.000 1.903 750 A CB -0.509 18.566 19.000 0.125 0.000 0.415 750 A HN 1.967 nan 8.150 nan 0.000 0.826 751 F N -1.346 118.630 119.950 0.043 0.000 3.049 751 F HA 0.572 5.099 4.527 0.000 0.000 0.329 751 F C 1.552 177.381 175.800 0.048 0.000 1.208 751 F CA 0.682 58.709 58.000 0.045 0.000 0.956 751 F CB 1.003 40.032 39.000 0.049 0.000 1.469 751 F HN 0.423 nan 8.300 nan 0.000 0.516 752 T N 1.421 116.097 114.554 0.203 0.000 3.854 752 T HA -0.338 4.013 4.350 0.001 0.000 0.343 752 T C 0.674 175.361 174.700 -0.022 0.000 0.767 752 T CA 1.130 63.299 62.100 0.116 0.000 1.840 752 T CB -1.918 67.088 68.868 0.231 0.000 1.922 752 T HN 1.058 nan 8.240 nan 0.000 0.770 753 C N -0.414 118.801 119.300 -0.143 0.000 0.168 753 C HA -0.262 4.198 4.460 0.001 0.000 0.017 753 C C 2.275 177.224 174.990 -0.067 0.000 0.171 753 C CA 2.125 61.068 59.018 -0.124 0.000 0.499 753 C CB -1.542 26.102 27.740 -0.161 0.000 3.212 753 C HN 1.301 nan 8.230 nan 0.000 1.118 754 T N -0.523 113.984 114.554 -0.079 0.000 3.169 754 T HA 0.133 4.483 4.350 0.001 0.000 0.250 754 T C 1.079 175.728 174.700 -0.085 0.000 1.111 754 T CA 1.387 63.431 62.100 -0.092 0.000 1.010 754 T CB -0.246 68.579 68.868 -0.071 0.000 0.984 754 T HN 0.702 nan 8.240 nan 0.000 0.537 755 S N 1.229 116.890 115.700 -0.064 0.000 2.465 755 S HA -0.085 4.385 4.470 0.001 0.000 0.241 755 S C 2.063 176.682 174.600 0.031 0.000 1.000 755 S CA 1.271 59.456 58.200 -0.026 0.000 0.964 755 S CB -0.497 62.709 63.200 0.010 0.000 0.763 755 S HN 0.744 nan 8.310 nan 0.000 0.512 756 V N -0.740 119.187 119.914 0.022 0.000 2.426 756 V HA 0.011 4.131 4.120 0.001 0.000 0.242 756 V C 2.096 178.196 176.094 0.010 0.000 1.036 756 V CA 0.819 63.147 62.300 0.047 0.000 1.044 756 V CB -1.261 30.606 31.823 0.072 0.000 0.688 756 V HN 0.339 nan 8.190 nan 0.000 0.462 757 V N 1.672 121.534 119.914 -0.086 0.000 2.261 757 V HA -0.190 3.930 4.120 0.001 0.000 0.246 757 V C 3.119 179.027 176.094 -0.310 0.000 1.047 757 V CA 2.437 64.567 62.300 -0.283 0.000 1.015 757 V CB -1.634 29.909 31.823 -0.467 0.000 0.642 757 V HN 0.598 nan 8.190 nan 0.000 0.446 758 A N -0.205 122.505 122.820 -0.184 0.000 1.902 758 A HA -0.241 4.079 4.320 0.001 0.000 0.217 758 A C 2.050 179.573 177.584 -0.102 0.000 1.181 758 A CA 1.999 53.947 52.037 -0.148 0.000 0.623 758 A CB -0.648 18.271 19.000 -0.135 0.000 0.818 758 A HN 0.531 nan 8.150 nan 0.000 0.443 759 D N 0.256 120.626 120.400 -0.051 0.000 2.117 759 D HA -0.050 4.590 4.640 0.001 0.000 0.198 759 D C 1.733 178.060 176.300 0.045 0.000 0.982 759 D CA 1.269 55.274 54.000 0.007 0.000 0.828 759 D CB -0.364 40.462 40.800 0.044 0.000 0.967 759 D HN 0.550 nan 8.370 nan 0.000 0.464 763 R N 0.328 120.907 120.500 0.132 0.000 2.075 763 R HA -0.061 4.280 4.340 0.001 0.000 0.232 763 R C 1.207 177.555 176.300 0.080 0.000 1.126 763 R CA 1.258 57.415 56.100 0.096 0.000 0.963 763 R CB -0.138 30.226 30.300 0.107 0.000 0.858 763 R HN 0.203 nan 8.270 nan 0.000 0.435 764 H N -0.303 118.829 119.070 0.103 0.000 3.319 764 H HA 0.176 4.732 4.556 0.001 0.000 0.213 764 H C -0.337 174.959 175.328 -0.053 0.000 1.782 764 H CA 0.731 56.801 56.048 0.038 0.000 1.339 764 H CB 0.241 30.150 29.762 0.246 0.000 1.651 764 H HN 0.418 nan 8.280 nan 0.000 0.622 765 A N 2.306 125.019 122.820 -0.179 0.000 1.546 765 A HA 0.070 4.390 4.320 0.001 0.000 0.212 765 A C 2.032 179.625 177.584 0.016 0.000 1.754 765 A CA -0.318 51.744 52.037 0.041 0.000 1.318 765 A CB 0.191 19.509 19.000 0.530 0.000 1.228 765 A HN 0.422 nan 8.150 nan 0.000 0.426 766 R N 0.497 121.008 120.500 0.017 0.000 2.316 766 R HA -0.027 4.313 4.340 0.001 0.000 0.232 766 R C 0.742 176.951 176.300 -0.151 0.000 1.137 766 R CA 1.492 57.574 56.100 -0.029 0.000 1.012 766 R CB -0.592 29.695 30.300 -0.020 0.000 0.859 766 R HN 0.491 nan 8.270 nan 0.000 0.474 767 K N 0.438 120.635 120.400 -0.339 0.000 2.316 767 K HA 0.357 4.677 4.320 0.001 0.000 0.251 767 K C -0.902 175.175 176.600 -0.872 0.000 0.934 767 K CA -0.825 55.094 56.287 -0.613 0.000 0.802 767 K CB 0.494 32.494 32.500 -0.834 0.000 1.171 767 K HN 0.194 nan 8.250 nan 0.000 0.426 768 Y N 1.329 121.441 120.300 -0.313 0.000 2.798 768 Y HA -0.113 4.438 4.550 0.001 0.000 0.088 768 Y C 0.499 176.081 175.900 -0.529 0.000 1.901 768 Y CA 0.825 58.677 58.100 -0.413 0.000 1.157 768 Y CB -2.646 35.473 38.460 -0.568 0.000 1.804 768 Y HN 2.109 nan 8.280 nan 0.000 0.304 769 F N -0.276 119.672 119.950 -0.002 0.000 2.737 769 F HA -0.151 4.376 4.527 0.001 0.000 0.286 769 F C -1.824 173.961 175.800 -0.025 0.000 0.757 769 F CA -0.421 57.566 58.000 -0.020 0.000 1.542 769 F CB -2.511 36.469 39.000 -0.033 0.000 1.729 769 F HN 0.263 nan 8.300 nan 0.000 0.406 770 P HA 0.065 nan 4.420 nan 0.000 0.229 770 P C 1.795 179.172 177.300 0.128 0.000 1.160 770 P CA 2.049 65.290 63.100 0.235 0.000 0.777 770 P CB -0.105 31.646 31.700 0.085 0.000 0.814 771 S N 0.299 116.056 115.700 0.094 0.000 2.419 771 S HA -0.073 4.397 4.470 0.001 0.000 0.233 771 S C 1.961 176.567 174.600 0.011 0.000 1.016 771 S CA 1.686 59.911 58.200 0.043 0.000 0.974 771 S CB -1.206 62.018 63.200 0.039 0.000 0.786 771 S HN 0.011 nan 8.310 nan 0.000 0.492 772 V N 1.084 120.976 119.914 -0.037 0.000 3.052 772 V HA 0.050 4.170 4.120 0.001 0.000 0.254 772 V C 2.175 178.229 176.094 -0.067 0.000 1.100 772 V CA 0.367 62.608 62.300 -0.098 0.000 1.112 772 V CB -0.343 31.323 31.823 -0.262 0.000 0.738 772 V HN 0.609 nan 8.190 nan 0.000 0.469 773 L N 1.376 122.590 121.223 -0.016 0.000 2.083 773 L HA -0.039 4.301 4.340 0.001 0.000 0.209 773 L C 1.382 178.260 176.870 0.014 0.000 1.083 773 L CA 1.966 56.831 54.840 0.041 0.000 0.752 773 L CB -0.454 41.680 42.059 0.124 0.000 0.899 773 L HN 0.585 nan 8.230 nan 0.000 0.433 774 S N -0.827 114.879 115.700 0.010 0.000 3.489 774 S HA 0.351 4.822 4.470 0.001 0.000 0.227 774 S C 0.657 175.256 174.600 -0.001 0.000 1.360 774 S CA 0.043 58.239 58.200 -0.006 0.000 0.934 774 S CB 0.424 63.623 63.200 -0.002 0.000 1.410 774 S HN 0.499 nan 8.310 nan 0.000 0.483 775 S N 0.787 116.490 115.700 0.004 0.000 1.984 775 S HA 0.137 4.608 4.470 0.001 0.000 0.220 775 S C 0.430 175.095 174.600 0.109 0.000 0.849 775 S CA -0.226 58.002 58.200 0.045 0.000 1.653 775 S CB -0.935 62.308 63.200 0.072 0.000 1.163 775 S HN 0.492 nan 8.310 nan 0.000 0.522 776 I N 0.729 121.337 120.570 0.064 0.000 4.033 776 I HA 0.401 4.571 4.170 0.001 0.000 0.296 776 I C 0.172 176.143 176.117 -0.244 0.000 1.210 776 I CA -0.173 61.184 61.300 0.096 0.000 1.341 776 I CB 0.379 38.458 38.000 0.132 0.000 1.369 776 I HN 0.191 nan 8.210 nan 0.000 0.453 777 L N 5.504 126.604 121.223 -0.206 0.000 2.456 777 L HA 0.231 4.571 4.340 0.001 0.000 0.277 777 L C -2.039 174.579 176.870 -0.421 0.000 1.124 777 L CA -1.254 53.406 54.840 -0.301 0.000 0.880 777 L CB 0.239 42.243 42.059 -0.092 0.000 1.192 777 L HN -0.100 nan 8.230 nan 0.000 0.463 778 P HA -0.109 nan 4.420 nan 0.000 0.261 778 P C 1.122 178.169 177.300 -0.422 0.000 1.173 778 P CA 0.169 62.829 63.100 -0.734 0.000 0.760 778 P CB 0.735 31.640 31.700 -1.325 0.000 0.783 779 L N 3.384 124.454 121.223 -0.254 0.000 2.051 779 L HA -0.322 4.018 4.340 0.001 0.000 0.214 779 L C 2.171 179.005 176.870 -0.059 0.000 1.076 779 L CA 2.288 57.060 54.840 -0.114 0.000 0.758 779 L CB -0.631 41.389 42.059 -0.065 0.000 0.890 779 L HN 0.421 nan 8.230 nan 0.000 0.433 780 A N -1.052 121.707 122.820 -0.101 0.000 2.019 780 A HA -0.232 4.089 4.320 0.001 0.000 0.219 780 A C 1.651 179.352 177.584 0.195 0.000 1.164 780 A CA 1.512 53.564 52.037 0.025 0.000 0.644 780 A CB -0.754 18.244 19.000 -0.004 0.000 0.805 780 A HN 0.693 nan 8.150 nan 0.000 0.449 781 W N -0.330 120.898 121.300 -0.120 0.000 2.905 781 W HA 0.517 5.178 4.660 0.000 0.000 0.251 781 W C 1.347 177.815 176.519 -0.086 0.000 1.305 781 W CA -0.724 56.544 57.345 -0.128 0.000 1.465 781 W CB -1.256 28.079 29.460 -0.208 0.000 1.122 781 W HN 0.357 nan 8.180 nan 0.000 0.659 782 A N 0.000 122.894 122.820 0.124 0.000 2.254 782 A HA 0.000 4.320 4.320 0.001 0.000 0.244 782 A CA 0.000 52.075 52.037 0.063 0.000 0.836 782 A CB 0.000 19.012 19.000 0.019 0.000 0.831 782 A HN 0.000 nan 8.150 nan 0.000 0.486