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 3g06_1_A DATA FIRST_RESID 171 DATA SEQUENCE AVWSAWRRAA PAEESRGRAA VVQKMRACLN NGNAVLNVGE SGLTTLPDCL DATA SEQUENCE PAHITTLVIP DNNLTSLPAL PPELRTLEVS GNQLTSLPVL PPGLLELSIF DATA SEQUENCE SNPLTHLPAL PSGLCKLWIF GNQLTSLPVL PPGLQELSVS DNQLASLPAL DATA SEQUENCE PSELCKLWAY NNQLTSLPML PSGLQELSVS DNQLASLPTL PSELYKLWAY DATA SEQUENCE NNRLTSLPAL PSGLKELIVS GNRLTSLPVL PSELKELMVS GNRLTSLPML DATA SEQUENCE PSGLLSLSVY RNQLTRLPES LIHLSSETTV NLEGNPLSER TLQALREITS DATA SEQUENCE APGYSGPIIR FDMAGAXXXX ETRALHLAAA DWLVPXXXXX XXXADRWHMF DATA SEQUENCE GQEDNADAFS LFLDRLSETE NFIKDAGFKA QISSWLAQLA EDEALRANTF DATA SEQUENCE AMATEATSSC EDRVTFFLHQ MKNVQLVHNA EKGQYDNDLA ALVATGREMF DATA SEQUENCE RLGKLEQIAR EKVRTLALVD EIEVWLAYQN KLKKSLGLTS VTSEMRFFDV DATA SEQUENCE SGVTVTDLQD AELQVKAAEK SEFREWILQW GPLHRVLERK APERVNALRE DATA SEQUENCE KQISDYEETY RMLSDTELRP SGLVGNTDAE RTIGARAMES AKKTFLDGLR DATA SEQUENCE PLVEEMLGSY LNV 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 171 A HA 0.000 nan 4.320 nan 0.000 0.244 171 A C 0.000 177.581 177.584 -0.004 0.000 1.274 171 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 171 A CB 0.000 18.954 19.000 -0.076 0.000 0.831 172 V N -0.452 119.410 119.914 -0.087 0.000 2.535 172 V HA -0.126 4.000 4.120 0.010 0.000 0.246 172 V C 2.154 178.410 176.094 0.270 0.000 1.045 172 V CA 1.897 64.216 62.300 0.031 0.000 1.058 172 V CB -0.645 31.147 31.823 -0.053 0.000 0.689 172 V HN 0.725 nan 8.190 nan 0.000 0.461 173 W N 0.092 121.454 121.300 0.104 0.000 2.402 173 W HA -0.036 4.632 4.660 0.013 0.000 0.286 173 W C 2.688 179.346 176.519 0.231 0.000 1.221 173 W CA 0.907 58.363 57.345 0.184 0.000 1.257 173 W CB -1.460 28.077 29.460 0.128 0.000 1.120 173 W HN 0.220 nan 8.180 nan 0.000 0.551 174 S N 0.444 116.358 115.700 0.357 0.000 2.357 174 S HA -0.054 4.422 4.470 0.010 0.000 0.221 174 S C 2.158 176.866 174.600 0.180 0.000 1.031 174 S CA 1.514 59.846 58.200 0.221 0.000 0.982 174 S CB -0.767 62.517 63.200 0.139 0.000 0.853 174 S HN 0.168 nan 8.310 nan 0.000 0.458 175 A N 0.622 123.548 122.820 0.176 0.000 1.917 175 A HA -0.223 4.103 4.320 0.010 0.000 0.219 175 A C 1.858 179.557 177.584 0.192 0.000 1.182 175 A CA 1.879 54.007 52.037 0.151 0.000 0.633 175 A CB -1.120 17.965 19.000 0.141 0.000 0.819 175 A HN 0.738 nan 8.150 nan 0.000 0.448 176 W N 0.364 121.721 121.300 0.095 0.000 2.379 176 W HA -0.119 4.546 4.660 0.008 0.000 0.307 176 W C 2.388 178.940 176.519 0.054 0.000 1.200 176 W CA 1.817 59.209 57.345 0.079 0.000 1.297 176 W CB -0.219 29.307 29.460 0.110 0.000 1.140 176 W HN 0.244 nan 8.180 nan 0.000 0.507 177 R N 0.742 121.235 120.500 -0.013 0.000 2.120 177 R HA -0.125 4.221 4.340 0.010 0.000 0.234 177 R C 2.040 178.208 176.300 -0.220 0.000 1.123 177 R CA 1.482 57.435 56.100 -0.246 0.000 0.975 177 R CB -0.334 29.963 30.300 -0.004 0.000 0.866 177 R HN 0.270 nan 8.270 nan 0.000 0.446 178 R N -0.738 119.704 120.500 -0.097 0.000 2.240 178 R HA 0.097 4.443 4.340 0.010 0.000 0.203 178 R C 1.750 177.993 176.300 -0.095 0.000 1.011 178 R CA 0.678 56.734 56.100 -0.074 0.000 1.007 178 R CB 0.133 30.424 30.300 -0.016 0.000 0.911 178 R HN 0.093 nan 8.270 nan 0.000 0.468 179 A N 1.395 124.142 122.820 -0.123 0.000 2.252 179 A HA 0.254 4.580 4.320 0.010 0.000 0.207 179 A C 0.876 178.363 177.584 -0.162 0.000 1.194 179 A CA 0.063 52.037 52.037 -0.105 0.000 0.809 179 A CB -0.088 18.882 19.000 -0.049 0.000 0.814 179 A HN 0.257 nan 8.150 nan 0.000 0.482 180 A N 1.460 124.141 122.820 -0.232 0.000 2.492 180 A HA 0.490 4.816 4.320 0.010 0.000 0.254 180 A C -2.126 175.375 177.584 -0.138 0.000 1.091 180 A CA -1.025 50.868 52.037 -0.240 0.000 0.768 180 A CB -0.478 18.346 19.000 -0.293 0.000 1.028 180 A HN 0.279 nan 8.150 nan 0.000 0.498 181 P HA 0.079 nan 4.420 nan 0.000 0.263 181 P C 1.041 178.295 177.300 -0.076 0.000 1.175 181 P CA 0.769 63.826 63.100 -0.073 0.000 0.761 181 P CB 0.642 32.309 31.700 -0.055 0.000 0.794 182 A N 3.675 126.460 122.820 -0.058 0.000 1.917 182 A HA -0.262 4.064 4.320 0.010 0.000 0.219 182 A C 1.828 179.380 177.584 -0.052 0.000 1.182 182 A CA 1.752 53.757 52.037 -0.053 0.000 0.633 182 A CB -1.015 17.962 19.000 -0.039 0.000 0.819 182 A HN 0.669 nan 8.150 nan 0.000 0.448 183 E N -0.784 119.390 120.200 -0.044 0.000 2.409 183 E HA -0.114 4.241 4.350 0.010 0.000 0.198 183 E C 1.505 178.076 176.600 -0.048 0.000 1.024 183 E CA 0.799 57.176 56.400 -0.039 0.000 0.861 183 E CB -0.015 29.668 29.700 -0.028 0.000 0.788 183 E HN 0.735 nan 8.360 nan 0.000 0.521 184 E N -0.399 119.759 120.200 -0.070 0.000 2.452 184 E HA 0.010 4.366 4.350 0.010 0.000 0.197 184 E C 1.737 178.258 176.600 -0.132 0.000 1.022 184 E CA -0.139 56.207 56.400 -0.091 0.000 0.890 184 E CB 0.335 29.970 29.700 -0.109 0.000 0.918 184 E HN -0.005 nan 8.360 nan 0.000 0.496 185 S N 1.223 116.848 115.700 -0.124 0.000 2.365 185 S HA -0.229 4.247 4.470 0.010 0.000 0.225 185 S C 1.924 176.459 174.600 -0.108 0.000 1.039 185 S CA 1.459 59.578 58.200 -0.135 0.000 1.033 185 S CB 0.047 63.190 63.200 -0.095 0.000 0.887 185 S HN 0.205 nan 8.310 nan 0.000 0.447 186 R N -0.046 120.411 120.500 -0.071 0.000 2.075 186 R HA 0.002 4.348 4.340 0.010 0.000 0.232 186 R C 2.679 178.954 176.300 -0.043 0.000 1.126 186 R CA 1.185 57.257 56.100 -0.046 0.000 0.963 186 R CB -0.896 29.387 30.300 -0.029 0.000 0.858 186 R HN 0.536 nan 8.270 nan 0.000 0.435 187 G N 0.915 109.686 108.800 -0.047 0.000 2.418 187 G HA2 -0.259 3.707 3.960 0.010 0.000 0.217 187 G HA3 -0.259 3.707 3.960 0.010 0.000 0.217 187 G C 1.367 176.254 174.900 -0.021 0.000 1.158 187 G CA 0.430 45.516 45.100 -0.024 0.000 0.771 187 G HN 0.231 nan 8.290 nan 0.000 0.545 188 R N 0.463 120.891 120.500 -0.120 0.000 2.092 188 R HA 0.058 4.404 4.340 0.010 0.000 0.231 188 R C 3.005 179.283 176.300 -0.036 0.000 1.119 188 R CA 0.993 56.962 56.100 -0.219 0.000 0.970 188 R CB -0.353 29.508 30.300 -0.732 0.000 0.864 188 R HN 0.358 nan 8.270 nan 0.000 0.440 189 A N 1.558 124.348 122.820 -0.050 0.000 1.877 189 A HA -0.110 4.215 4.320 0.010 0.000 0.216 189 A C 2.423 180.020 177.584 0.022 0.000 1.186 189 A CA 1.649 53.687 52.037 0.001 0.000 0.620 189 A CB -0.639 18.355 19.000 -0.010 0.000 0.822 189 A HN 0.372 nan 8.150 nan 0.000 0.443 190 A N -0.635 122.193 122.820 0.013 0.000 1.940 190 A HA -0.046 4.279 4.320 0.010 0.000 0.219 190 A C 2.233 179.825 177.584 0.013 0.000 1.176 190 A CA 1.984 54.029 52.037 0.013 0.000 0.631 190 A CB -0.853 18.152 19.000 0.009 0.000 0.814 190 A HN 0.405 nan 8.150 nan 0.000 0.446 191 V N -0.683 119.260 119.914 0.049 0.000 2.323 191 V HA -0.182 3.944 4.120 0.010 0.000 0.244 191 V C 2.557 178.597 176.094 -0.090 0.000 1.041 191 V CA 1.712 64.023 62.300 0.019 0.000 1.025 191 V CB -0.649 31.265 31.823 0.153 0.000 0.656 191 V HN 0.364 nan 8.190 nan 0.000 0.451 192 V N 0.031 119.942 119.914 -0.005 0.000 2.324 192 V HA -0.389 3.737 4.120 0.010 0.000 0.250 192 V C 2.456 178.495 176.094 -0.092 0.000 1.060 192 V CA 2.538 64.769 62.300 -0.114 0.000 1.042 192 V CB -0.729 31.149 31.823 0.093 0.000 0.650 192 V HN 0.646 nan 8.190 nan 0.000 0.450 193 Q N 0.024 119.811 119.800 -0.021 0.000 2.061 193 Q HA -0.269 4.077 4.340 0.010 0.000 0.204 193 Q C 2.342 178.325 176.000 -0.027 0.000 0.984 193 Q CA 1.958 57.760 55.803 -0.002 0.000 0.846 193 Q CB -0.076 28.667 28.738 0.010 0.000 0.902 193 Q HN 0.633 nan 8.270 nan 0.000 0.421 194 K N -0.180 120.183 120.400 -0.061 0.000 2.057 194 K HA -0.142 4.184 4.320 0.010 0.000 0.207 194 K C 2.191 178.728 176.600 -0.104 0.000 1.049 194 K CA 1.668 57.913 56.287 -0.070 0.000 0.931 194 K CB -0.160 32.292 32.500 -0.081 0.000 0.714 194 K HN 0.342 nan 8.250 nan 0.000 0.440 195 M N 0.312 119.768 119.600 -0.240 0.000 2.132 195 M HA -0.131 4.355 4.480 0.010 0.000 0.263 195 M C 2.260 178.515 176.300 -0.076 0.000 1.065 195 M CA 1.488 56.569 55.300 -0.365 0.000 1.122 195 M CB -0.268 31.662 32.600 -1.117 0.000 1.365 195 M HN 0.101 nan 8.290 nan 0.000 0.411 196 R N 0.237 120.741 120.500 0.008 0.000 2.083 196 R HA -0.145 4.201 4.340 0.010 0.000 0.237 196 R C 2.346 178.729 176.300 0.138 0.000 1.137 196 R CA 1.655 57.880 56.100 0.208 0.000 0.951 196 R CB -0.644 29.761 30.300 0.174 0.000 0.851 196 R HN 0.390 nan 8.270 nan 0.000 0.434 197 A N 0.838 123.702 122.820 0.073 0.000 1.892 197 A HA -0.236 4.090 4.320 0.010 0.000 0.218 197 A C 2.502 180.141 177.584 0.091 0.000 1.188 197 A CA 1.810 53.885 52.037 0.063 0.000 0.631 197 A CB -0.990 18.030 19.000 0.034 0.000 0.822 197 A HN 0.501 nan 8.150 nan 0.000 0.447 198 C N -0.849 118.518 119.300 0.112 0.000 2.413 198 C HA -0.090 4.376 4.460 0.010 0.000 0.276 198 C C 2.594 177.771 174.990 0.313 0.000 1.236 198 C CA 1.015 60.164 59.018 0.218 0.000 1.735 198 C CB -1.511 26.330 27.740 0.169 0.000 2.031 198 C HN 0.622 nan 8.230 nan 0.000 0.474 199 L N 1.027 122.429 121.223 0.298 0.000 2.141 199 L HA -0.099 4.247 4.340 0.010 0.000 0.209 199 L C 2.067 178.985 176.870 0.081 0.000 1.094 199 L CA 1.386 56.367 54.840 0.235 0.000 0.763 199 L CB -0.599 41.632 42.059 0.285 0.000 0.908 199 L HN 0.484 nan 8.230 nan 0.000 0.437 200 N N 0.268 119.020 118.700 0.087 0.000 2.415 200 N HA -0.087 4.659 4.740 0.010 0.000 0.176 200 N C 1.174 176.693 175.510 0.015 0.000 1.042 200 N CA 0.918 53.995 53.050 0.044 0.000 0.902 200 N CB -0.116 38.406 38.487 0.059 0.000 0.986 200 N HN 0.499 nan 8.380 nan 0.000 0.447 201 N N -1.165 117.546 118.700 0.018 0.000 2.171 201 N HA 0.138 4.884 4.740 0.010 0.000 0.212 201 N C 1.042 176.542 175.510 -0.017 0.000 1.184 201 N CA 0.660 53.712 53.050 0.005 0.000 0.888 201 N CB 0.315 38.815 38.487 0.022 0.000 1.038 201 N HN 0.062 nan 8.380 nan 0.000 0.517 202 G N 0.528 109.291 108.800 -0.060 0.000 2.179 202 G HA2 -0.366 3.600 3.960 0.010 0.000 0.260 202 G HA3 -0.366 3.600 3.960 0.010 0.000 0.260 202 G C -0.034 174.906 174.900 0.068 0.000 0.977 202 G CA 0.140 45.151 45.100 -0.148 0.000 0.641 202 G HN 0.692 nan 8.290 nan 0.000 0.533 203 N N 0.883 119.657 118.700 0.123 0.000 2.223 203 N HA 0.305 5.051 4.740 0.010 0.000 0.271 203 N C 1.132 176.778 175.510 0.227 0.000 1.315 203 N CA 1.083 54.216 53.050 0.138 0.000 0.835 203 N CB 0.564 39.105 38.487 0.089 0.000 1.066 203 N HN 0.848 nan 8.380 nan 0.000 0.486 204 A N 3.433 126.335 122.820 0.136 0.000 2.423 204 A HA 0.252 4.578 4.320 0.010 0.000 0.246 204 A C -0.053 177.514 177.584 -0.029 0.000 1.278 204 A CA -0.309 51.767 52.037 0.066 0.000 0.903 204 A CB 0.314 19.375 19.000 0.102 0.000 0.997 204 A HN 0.381 nan 8.150 nan 0.000 0.510 205 V N 1.022 120.927 119.914 -0.015 0.000 2.370 205 V HA 0.466 4.592 4.120 0.010 0.000 0.283 205 V C -0.772 175.294 176.094 -0.046 0.000 1.023 205 V CA -0.573 61.707 62.300 -0.034 0.000 0.857 205 V CB 1.331 33.144 31.823 -0.017 0.000 0.985 205 V HN 0.386 nan 8.190 nan 0.000 0.443 206 L N 5.372 126.554 121.223 -0.068 0.000 2.356 206 L HA 0.655 5.001 4.340 0.010 0.000 0.277 206 L C -0.572 176.259 176.870 -0.065 0.000 0.996 206 L CA -0.060 54.734 54.840 -0.076 0.000 0.822 206 L CB 1.705 43.696 42.059 -0.113 0.000 1.256 206 L HN 0.646 nan 8.230 nan 0.000 0.413 207 N N 3.711 122.380 118.700 -0.051 0.000 2.483 207 N HA 0.189 4.935 4.740 0.010 0.000 0.267 207 N C 0.519 176.006 175.510 -0.039 0.000 0.998 207 N CA -0.269 52.758 53.050 -0.037 0.000 0.918 207 N CB 1.952 40.427 38.487 -0.020 0.000 1.215 207 N HN 0.557 nan 8.380 nan 0.000 0.500 208 V N 1.300 121.189 119.914 -0.042 0.000 3.510 208 V HA 0.343 4.469 4.120 0.010 0.000 0.270 208 V C 1.060 177.152 176.094 -0.003 0.000 1.201 208 V CA 0.624 62.902 62.300 -0.037 0.000 1.166 208 V CB -1.431 30.363 31.823 -0.048 0.000 0.825 208 V HN 0.803 nan 8.190 nan 0.000 0.484 209 G N 0.540 109.340 108.800 0.001 0.000 2.846 209 G HA2 -0.230 3.736 3.960 0.010 0.000 0.660 209 G HA3 -0.230 3.736 3.960 0.010 0.000 0.660 209 G C -0.517 174.396 174.900 0.022 0.000 1.464 209 G CA -0.007 45.100 45.100 0.013 0.000 0.891 209 G HN 0.652 nan 8.290 nan 0.000 0.552 210 E N 0.475 120.689 120.200 0.024 0.000 1.941 210 E HA 0.441 4.797 4.350 0.010 0.000 0.275 210 E C 0.485 177.099 176.600 0.025 0.000 1.113 210 E CA 0.227 56.643 56.400 0.027 0.000 0.878 210 E CB 0.323 30.041 29.700 0.029 0.000 1.070 210 E HN 0.493 nan 8.360 nan 0.000 0.399 211 S N 1.648 117.365 115.700 0.029 0.000 2.846 211 S HA 0.226 4.702 4.470 0.010 0.000 0.249 211 S C 1.151 175.763 174.600 0.020 0.000 1.028 211 S CA -0.203 58.011 58.200 0.024 0.000 1.043 211 S CB 1.201 64.420 63.200 0.032 0.000 0.990 211 S HN 0.713 nan 8.310 nan 0.000 0.564 212 G N 2.252 111.065 108.800 0.022 0.000 2.258 212 G HA2 -0.279 3.686 3.960 0.010 0.000 0.274 212 G HA3 -0.279 3.686 3.960 0.010 0.000 0.274 212 G C 0.040 174.956 174.900 0.026 0.000 1.021 212 G CA -0.021 45.090 45.100 0.018 0.000 0.798 212 G HN 0.548 nan 8.290 nan 0.000 0.507 213 L N 0.289 121.543 121.223 0.051 0.000 2.540 213 L HA 0.206 4.552 4.340 0.010 0.000 0.276 213 L C 2.035 178.954 176.870 0.081 0.000 1.212 213 L CA 0.921 55.816 54.840 0.092 0.000 0.893 213 L CB 0.590 42.740 42.059 0.152 0.000 1.138 213 L HN 0.440 nan 8.230 nan 0.000 0.491 214 T N -2.974 111.632 114.554 0.087 0.000 3.022 214 T HA 0.112 4.468 4.350 0.010 0.000 0.250 214 T C 0.535 175.308 174.700 0.120 0.000 1.060 214 T CA 0.349 62.495 62.100 0.076 0.000 1.013 214 T CB 0.165 69.058 68.868 0.041 0.000 0.982 214 T HN 0.715 nan 8.240 nan 0.000 0.508 215 T N -0.441 114.246 114.554 0.223 0.000 2.853 215 T HA 0.705 5.061 4.350 0.010 0.000 0.311 215 T C -1.148 173.806 174.700 0.424 0.000 1.307 215 T CA -1.029 61.241 62.100 0.282 0.000 1.019 215 T CB 1.653 70.734 68.868 0.355 0.000 1.264 215 T HN 0.163 nan 8.240 nan 0.000 0.497 216 L N 1.844 123.140 121.223 0.121 0.000 2.322 216 L HA 0.650 4.996 4.340 0.010 0.000 0.269 216 L C -2.053 174.336 176.870 -0.802 0.000 1.012 216 L CA -2.808 51.823 54.840 -0.348 0.000 0.815 216 L CB 2.253 44.136 42.059 -0.293 0.000 1.295 216 L HN 0.545 nan 8.230 nan 0.000 0.438 217 P HA 0.032 nan 4.420 nan 0.000 0.272 217 P C -0.606 176.501 177.300 -0.322 0.000 1.240 217 P CA -0.187 62.345 63.100 -0.947 0.000 0.791 217 P CB 0.878 32.144 31.700 -0.724 0.000 0.978 218 D N -0.620 119.729 120.400 -0.086 0.000 2.224 218 D HA -0.008 4.638 4.640 0.010 0.000 0.205 218 D C 0.160 176.461 176.300 0.001 0.000 0.965 218 D CA 1.014 54.999 54.000 -0.025 0.000 0.852 218 D CB -0.155 40.654 40.800 0.015 0.000 0.947 218 D HN 0.316 nan 8.370 nan 0.000 0.494 219 C N 0.734 120.076 119.300 0.070 0.000 2.456 219 C HA 0.635 5.101 4.460 0.010 0.000 0.325 219 C C 0.214 175.347 174.990 0.239 0.000 1.217 219 C CA -1.076 58.009 59.018 0.111 0.000 1.687 219 C CB 1.115 28.898 27.740 0.072 0.000 2.270 219 C HN 0.073 nan 8.230 nan 0.000 0.499 220 L N 2.610 123.920 121.223 0.144 0.000 2.322 220 L HA 0.543 4.889 4.340 0.010 0.000 0.269 220 L C -2.256 174.735 176.870 0.202 0.000 1.012 220 L CA -1.772 53.142 54.840 0.124 0.000 0.815 220 L CB 1.145 43.181 42.059 -0.038 0.000 1.295 220 L HN 0.365 nan 8.230 nan 0.000 0.438 221 P HA 0.017 nan 4.420 nan 0.000 0.266 221 P C -0.166 177.146 177.300 0.020 0.000 1.195 221 P CA -0.019 63.202 63.100 0.202 0.000 0.768 221 P CB 0.814 32.603 31.700 0.148 0.000 0.838 222 A N 2.549 125.426 122.820 0.095 0.000 2.123 222 A HA -0.104 4.222 4.320 0.010 0.000 0.214 222 A C 1.392 179.002 177.584 0.044 0.000 1.152 222 A CA 1.034 53.104 52.037 0.055 0.000 0.728 222 A CB -1.224 17.820 19.000 0.073 0.000 0.814 222 A HN 0.804 nan 8.150 nan 0.000 0.464 223 H N -2.227 116.857 119.070 0.024 0.000 2.539 223 H HA 0.368 4.930 4.556 0.010 0.000 0.269 223 H C 0.191 175.523 175.328 0.007 0.000 0.980 223 H CA -0.649 55.406 56.048 0.013 0.000 1.152 223 H CB -0.237 29.534 29.762 0.015 0.000 1.407 223 H HN 0.175 nan 8.280 nan 0.000 0.564 224 I N 3.411 123.687 120.570 -0.489 0.000 2.741 224 I HA -0.105 4.071 4.170 0.010 0.000 0.288 224 I C 1.429 177.463 176.117 -0.138 0.000 1.192 224 I CA 0.725 61.828 61.300 -0.328 0.000 1.426 224 I CB 0.733 38.580 38.000 -0.255 0.000 1.367 224 I HN 0.618 nan 8.210 nan 0.000 0.563 225 T N 0.858 115.359 114.554 -0.088 0.000 3.000 225 T HA 0.119 4.475 4.350 0.010 0.000 0.248 225 T C 0.760 175.426 174.700 -0.057 0.000 1.034 225 T CA 0.064 62.132 62.100 -0.052 0.000 1.060 225 T CB 0.186 69.039 68.868 -0.024 0.000 0.983 225 T HN 0.477 nan 8.240 nan 0.000 0.482 226 T N 2.806 117.323 114.554 -0.061 0.000 2.786 226 T HA 0.674 5.030 4.350 0.010 0.000 0.283 226 T C -1.493 173.166 174.700 -0.068 0.000 0.992 226 T CA -0.561 61.502 62.100 -0.060 0.000 0.954 226 T CB 1.661 70.500 68.868 -0.049 0.000 0.934 226 T HN 0.256 nan 8.240 nan 0.000 0.440 227 L N 5.402 126.585 121.223 -0.067 0.000 2.325 227 L HA 0.734 5.080 4.340 0.010 0.000 0.281 227 L C -1.141 175.697 176.870 -0.054 0.000 1.004 227 L CA -0.533 54.266 54.840 -0.069 0.000 0.823 227 L CB 1.319 43.332 42.059 -0.076 0.000 1.236 227 L HN 0.413 nan 8.230 nan 0.000 0.415 228 V N 6.602 126.488 119.914 -0.046 0.000 2.384 228 V HA 0.482 4.608 4.120 0.010 0.000 0.287 228 V C -0.228 175.851 176.094 -0.026 0.000 1.020 228 V CA -0.486 61.797 62.300 -0.028 0.000 0.850 228 V CB 1.626 33.439 31.823 -0.017 0.000 0.987 228 V HN 0.512 nan 8.190 nan 0.000 0.436 229 I N 7.281 127.842 120.570 -0.016 0.000 2.388 229 I HA 0.399 4.575 4.170 0.010 0.000 0.281 229 I C -2.348 173.776 176.117 0.012 0.000 1.046 229 I CA -2.199 59.095 61.300 -0.011 0.000 1.187 229 I CB 1.221 39.209 38.000 -0.019 0.000 1.351 229 I HN 0.383 nan 8.210 nan 0.000 0.472 230 P HA 0.155 nan 4.420 nan 0.000 0.297 230 P C -0.601 176.722 177.300 0.038 0.000 1.303 230 P CA -0.453 62.670 63.100 0.039 0.000 0.753 230 P CB 0.511 32.233 31.700 0.037 0.000 1.281 231 D N 0.335 120.764 120.400 0.049 0.000 2.472 231 D HA 0.098 4.744 4.640 0.010 0.000 0.248 231 D C 0.394 176.710 176.300 0.027 0.000 1.174 231 D CA 1.152 55.174 54.000 0.037 0.000 0.883 231 D CB -0.207 40.621 40.800 0.046 0.000 1.149 231 D HN 0.221 nan 8.370 nan 0.000 0.488 232 N N 1.572 120.283 118.700 0.018 0.000 3.621 232 N HA 0.297 5.043 4.740 0.010 0.000 0.345 232 N C -0.589 174.929 175.510 0.014 0.000 1.646 232 N CA -0.612 52.451 53.050 0.022 0.000 0.731 232 N CB 0.967 39.473 38.487 0.031 0.000 2.435 232 N HN 0.235 nan 8.380 nan 0.000 0.613 233 N N 0.616 119.328 118.700 0.020 0.000 2.497 233 N HA 0.287 5.033 4.740 0.010 0.000 0.284 233 N C -0.708 174.813 175.510 0.019 0.000 1.459 233 N CA 0.052 53.110 53.050 0.014 0.000 0.899 233 N CB 1.340 39.836 38.487 0.014 0.000 1.316 233 N HN 0.293 nan 8.380 nan 0.000 0.500 234 L N 0.135 121.369 121.223 0.018 0.000 2.426 234 L HA 0.134 4.480 4.340 0.010 0.000 0.271 234 L C 1.478 178.352 176.870 0.008 0.000 1.169 234 L CA 0.477 55.330 54.840 0.021 0.000 0.836 234 L CB 0.991 43.060 42.059 0.016 0.000 1.112 234 L HN 0.014 nan 8.230 nan 0.000 0.465 235 T N -0.421 114.141 114.554 0.014 0.000 2.955 235 T HA 0.106 4.462 4.350 0.010 0.000 0.251 235 T C 0.230 174.932 174.700 0.003 0.000 1.002 235 T CA 0.221 62.326 62.100 0.008 0.000 0.970 235 T CB 0.343 69.221 68.868 0.017 0.000 1.091 235 T HN 0.503 nan 8.240 nan 0.000 0.495 236 S N 0.289 115.993 115.700 0.005 0.000 2.537 236 S HA 0.692 5.167 4.470 0.010 0.000 0.270 236 S C -1.653 172.941 174.600 -0.011 0.000 1.142 236 S CA -0.689 57.511 58.200 -0.001 0.000 0.870 236 S CB 0.983 64.189 63.200 0.011 0.000 1.112 236 S HN 0.202 nan 8.310 nan 0.000 0.466 237 L N 4.245 125.454 121.223 -0.023 0.000 2.331 237 L HA 0.590 4.936 4.340 0.010 0.000 0.275 237 L C -1.766 175.081 176.870 -0.038 0.000 1.022 237 L CA -2.027 52.791 54.840 -0.038 0.000 0.812 237 L CB 1.352 43.385 42.059 -0.043 0.000 1.257 237 L HN 0.498 nan 8.230 nan 0.000 0.435 238 P HA 0.096 nan 4.420 nan 0.000 0.274 238 P C -0.649 176.628 177.300 -0.038 0.000 1.260 238 P CA -0.507 62.564 63.100 -0.049 0.000 0.793 238 P CB 0.453 32.107 31.700 -0.075 0.000 1.048 239 A N 0.594 123.398 122.820 -0.027 0.000 2.555 239 A HA 0.146 4.472 4.320 0.010 0.000 0.233 239 A C 0.376 177.942 177.584 -0.030 0.000 1.060 239 A CA 0.161 52.185 52.037 -0.023 0.000 0.759 239 A CB -0.861 18.130 19.000 -0.015 0.000 0.995 239 A HN 0.468 nan 8.150 nan 0.000 0.506 240 L N 2.952 124.157 121.223 -0.030 0.000 2.325 240 L HA 0.370 4.716 4.340 0.010 0.000 0.279 240 L C -2.032 174.819 176.870 -0.032 0.000 1.054 240 L CA -2.053 52.765 54.840 -0.037 0.000 0.804 240 L CB 1.217 43.253 42.059 -0.039 0.000 1.200 240 L HN 0.456 nan 8.230 nan 0.000 0.436 241 P HA 0.011 nan 4.420 nan 0.000 0.261 241 P C -2.115 175.167 177.300 -0.030 0.000 1.183 241 P CA -0.750 62.328 63.100 -0.037 0.000 0.761 241 P CB 0.053 31.713 31.700 -0.066 0.000 0.785 242 P HA -0.134 nan 4.420 nan 0.000 0.225 242 P C 0.622 177.914 177.300 -0.013 0.000 1.148 242 P CA 1.388 64.480 63.100 -0.013 0.000 0.779 242 P CB 0.100 31.797 31.700 -0.005 0.000 0.780 243 E N -1.038 119.154 120.200 -0.014 0.000 2.444 243 E HA 0.091 4.447 4.350 0.010 0.000 0.191 243 E C 0.453 177.039 176.600 -0.025 0.000 1.041 243 E CA -0.572 55.822 56.400 -0.012 0.000 0.883 243 E CB -0.400 29.302 29.700 0.004 0.000 1.024 243 E HN 0.216 nan 8.360 nan 0.000 0.470 244 L N 2.327 123.529 121.223 -0.035 0.000 2.559 244 L HA -0.088 4.258 4.340 0.010 0.000 0.274 244 L C 1.305 178.150 176.870 -0.042 0.000 1.205 244 L CA 0.571 55.384 54.840 -0.045 0.000 0.907 244 L CB 0.467 42.497 42.059 -0.049 0.000 1.153 244 L HN -0.128 nan 8.230 nan 0.000 0.490 245 R N 1.815 122.287 120.500 -0.047 0.000 2.191 245 R HA 0.261 4.607 4.340 0.010 0.000 0.196 245 R C -0.011 176.250 176.300 -0.066 0.000 0.991 245 R CA 0.320 56.389 56.100 -0.051 0.000 1.075 245 R CB 0.012 30.283 30.300 -0.047 0.000 1.040 245 R HN 0.570 nan 8.270 nan 0.000 0.526 246 T N 2.007 116.520 114.554 -0.069 0.000 2.881 246 T HA 0.426 4.782 4.350 0.010 0.000 0.291 246 T C -1.307 173.350 174.700 -0.072 0.000 0.990 246 T CA -0.468 61.583 62.100 -0.082 0.000 0.976 246 T CB 1.785 70.600 68.868 -0.087 0.000 0.970 246 T HN -0.116 nan 8.240 nan 0.000 0.438 247 L N 3.491 124.671 121.223 -0.071 0.000 2.322 247 L HA 0.687 5.033 4.340 0.010 0.000 0.281 247 L C -0.345 176.493 176.870 -0.054 0.000 1.014 247 L CA -0.258 54.547 54.840 -0.059 0.000 0.815 247 L CB 1.325 43.352 42.059 -0.053 0.000 1.247 247 L HN 0.656 nan 8.230 nan 0.000 0.421 248 E N 4.301 124.478 120.200 -0.039 0.000 2.241 248 E HA 0.588 4.944 4.350 0.010 0.000 0.263 248 E C -2.014 174.586 176.600 -0.001 0.000 0.882 248 E CA -0.643 55.747 56.400 -0.018 0.000 0.769 248 E CB 1.848 31.540 29.700 -0.013 0.000 1.185 248 E HN 0.490 nan 8.360 nan 0.000 0.415 249 V N 3.300 123.221 119.914 0.012 0.000 2.531 249 V HA 0.355 4.481 4.120 0.010 0.000 0.301 249 V C 0.026 176.154 176.094 0.056 0.000 1.034 249 V CA -0.614 61.695 62.300 0.015 0.000 0.865 249 V CB 1.748 33.564 31.823 -0.011 0.000 0.995 249 V HN 0.708 nan 8.190 nan 0.000 0.424 250 S N 2.307 118.050 115.700 0.071 0.000 2.590 250 S HA 0.582 5.058 4.470 0.010 0.000 0.282 250 S C 0.801 175.417 174.600 0.027 0.000 1.136 250 S CA -0.003 58.277 58.200 0.133 0.000 1.030 250 S CB 0.965 64.255 63.200 0.151 0.000 1.195 250 S HN 1.117 nan 8.310 nan 0.000 0.506 251 G N 1.616 110.412 108.800 -0.008 0.000 2.192 251 G HA2 0.249 4.215 3.960 0.010 0.000 0.258 251 G HA3 0.249 4.215 3.960 0.010 0.000 0.258 251 G C -0.224 174.641 174.900 -0.058 0.000 1.185 251 G CA 0.085 45.120 45.100 -0.110 0.000 0.976 251 G HN 0.479 nan 8.290 nan 0.000 0.446 252 N N 0.238 118.894 118.700 -0.073 0.000 3.316 252 N HA 0.234 4.980 4.740 0.010 0.000 0.300 252 N C -0.267 175.211 175.510 -0.053 0.000 1.567 252 N CA -0.581 52.443 53.050 -0.044 0.000 0.821 252 N CB 1.461 39.930 38.487 -0.030 0.000 1.748 252 N HN 0.494 nan 8.380 nan 0.000 0.603 253 Q N 1.036 120.816 119.800 -0.034 0.000 2.302 253 Q HA 0.361 4.707 4.340 0.010 0.000 0.332 253 Q C -0.338 175.644 176.000 -0.030 0.000 0.913 253 Q CA -0.141 55.642 55.803 -0.033 0.000 1.098 253 Q CB 0.028 28.754 28.738 -0.020 0.000 1.236 253 Q HN 0.420 nan 8.270 nan 0.000 0.436 254 L N 1.685 122.884 121.223 -0.041 0.000 2.410 254 L HA 0.153 4.499 4.340 0.010 0.000 0.273 254 L C 1.185 178.025 176.870 -0.050 0.000 1.152 254 L CA 0.266 55.080 54.840 -0.042 0.000 0.855 254 L CB 0.702 42.730 42.059 -0.052 0.000 1.129 254 L HN 0.249 nan 8.230 nan 0.000 0.463 255 T N -2.817 111.714 114.554 -0.039 0.000 3.044 255 T HA 0.222 4.577 4.350 0.010 0.000 0.260 255 T C 0.348 175.003 174.700 -0.074 0.000 1.019 255 T CA 0.147 62.227 62.100 -0.034 0.000 0.921 255 T CB 0.160 69.034 68.868 0.010 0.000 1.053 255 T HN 0.647 nan 8.240 nan 0.000 0.533 256 S N 0.168 115.806 115.700 -0.103 0.000 2.615 256 S HA 0.667 5.143 4.470 0.010 0.000 0.268 256 S C -1.876 172.657 174.600 -0.111 0.000 1.146 256 S CA -1.150 56.949 58.200 -0.168 0.000 0.818 256 S CB 0.903 64.077 63.200 -0.044 0.000 1.111 256 S HN 0.249 nan 8.310 nan 0.000 0.465 257 L N 1.403 122.559 121.223 -0.111 0.000 2.342 257 L HA 0.653 4.999 4.340 0.010 0.000 0.271 257 L C -2.306 174.542 176.870 -0.037 0.000 1.008 257 L CA -2.409 52.390 54.840 -0.068 0.000 0.818 257 L CB 1.927 43.943 42.059 -0.072 0.000 1.296 257 L HN 0.574 nan 8.230 nan 0.000 0.427 258 P HA 0.040 nan 4.420 nan 0.000 0.271 258 P C -0.532 176.760 177.300 -0.014 0.000 1.244 258 P CA -0.467 62.623 63.100 -0.017 0.000 0.793 258 P CB 0.304 31.991 31.700 -0.023 0.000 0.984 259 V N 1.106 121.016 119.914 -0.007 0.000 2.790 259 V HA -0.146 3.980 4.120 0.010 0.000 0.304 259 V C 0.727 176.813 176.094 -0.014 0.000 1.142 259 V CA 0.788 63.084 62.300 -0.007 0.000 1.282 259 V CB -0.856 30.965 31.823 -0.004 0.000 0.877 259 V HN 0.256 nan 8.190 nan 0.000 0.504 260 L N 7.470 128.685 121.223 -0.015 0.000 2.292 260 L HA 0.400 4.746 4.340 0.010 0.000 0.284 260 L C -2.048 174.811 176.870 -0.019 0.000 1.065 260 L CA -1.910 52.918 54.840 -0.021 0.000 0.806 260 L CB 1.130 43.175 42.059 -0.022 0.000 1.175 260 L HN 0.464 nan 8.230 nan 0.000 0.431 261 P HA 0.026 nan 4.420 nan 0.000 0.262 261 P C -1.925 175.363 177.300 -0.021 0.000 1.182 261 P CA -1.061 62.027 63.100 -0.021 0.000 0.761 261 P CB 0.000 31.685 31.700 -0.025 0.000 0.795 262 P HA -0.186 nan 4.420 nan 0.000 0.217 262 P C 1.196 178.485 177.300 -0.018 0.000 1.148 262 P CA 1.896 64.987 63.100 -0.015 0.000 0.834 262 P CB -0.294 31.399 31.700 -0.012 0.000 0.783 263 G N -0.982 107.805 108.800 -0.020 0.000 3.141 263 G HA2 0.135 4.101 3.960 0.010 0.000 0.218 263 G HA3 0.135 4.101 3.960 0.010 0.000 0.218 263 G C 0.353 175.234 174.900 -0.031 0.000 1.170 263 G CA -0.272 44.813 45.100 -0.023 0.000 0.769 263 G HN 0.180 nan 8.290 nan 0.000 0.546 264 L N 0.811 122.014 121.223 -0.034 0.000 2.525 264 L HA 0.191 4.537 4.340 0.010 0.000 0.278 264 L C 1.123 177.964 176.870 -0.049 0.000 1.218 264 L CA 0.499 55.313 54.840 -0.043 0.000 0.878 264 L CB 0.755 42.789 42.059 -0.042 0.000 1.127 264 L HN 0.079 nan 8.230 nan 0.000 0.492 265 L N 2.533 123.718 121.223 -0.063 0.000 2.653 265 L HA 0.327 4.673 4.340 0.010 0.000 0.230 265 L C 0.043 176.851 176.870 -0.103 0.000 1.055 265 L CA 0.019 54.815 54.840 -0.075 0.000 0.880 265 L CB 0.139 42.153 42.059 -0.076 0.000 1.195 265 L HN 0.594 nan 8.230 nan 0.000 0.492 266 E N 1.262 121.390 120.200 -0.120 0.000 2.275 266 E HA 0.506 4.862 4.350 0.010 0.000 0.270 266 E C -1.610 174.911 176.600 -0.131 0.000 0.882 266 E CA -0.639 55.659 56.400 -0.169 0.000 0.758 266 E CB 3.287 32.844 29.700 -0.238 0.000 1.195 266 E HN -0.160 nan 8.360 nan 0.000 0.419 267 L N 1.665 122.819 121.223 -0.116 0.000 2.372 267 L HA 0.455 4.801 4.340 0.010 0.000 0.274 267 L C -1.431 175.416 176.870 -0.039 0.000 0.988 267 L CA -0.282 54.517 54.840 -0.067 0.000 0.833 267 L CB 1.722 43.756 42.059 -0.041 0.000 1.236 267 L HN 0.419 nan 8.230 nan 0.000 0.410 268 S N 6.441 122.123 115.700 -0.030 0.000 2.519 268 S HA 0.770 5.246 4.470 0.010 0.000 0.309 268 S C -0.731 173.870 174.600 0.001 0.000 1.100 268 S CA -0.460 57.756 58.200 0.028 0.000 1.059 268 S CB 1.511 64.750 63.200 0.065 0.000 1.008 268 S HN 0.672 nan 8.310 nan 0.000 0.478 269 I N 3.211 123.768 120.570 -0.023 0.000 2.607 269 I HA 0.702 4.878 4.170 0.010 0.000 0.290 269 I C -2.083 174.008 176.117 -0.045 0.000 1.129 269 I CA -0.879 60.405 61.300 -0.027 0.000 1.042 269 I CB 1.289 39.264 38.000 -0.041 0.000 1.242 269 I HN 0.624 nan 8.210 nan 0.000 0.421 270 F N 6.699 126.531 119.950 -0.197 0.000 2.556 270 F HA 0.537 5.067 4.527 0.006 0.000 0.314 270 F C 0.454 176.195 175.800 -0.099 0.000 1.106 270 F CA -0.461 57.399 58.000 -0.235 0.000 0.911 270 F CB 1.924 40.781 39.000 -0.237 0.000 1.190 270 F HN 0.590 nan 8.300 nan 0.000 0.448 271 S N 3.827 119.011 115.700 -0.860 0.000 3.783 271 S HA -0.209 4.267 4.470 0.010 0.000 0.360 271 S C -0.871 173.498 174.600 -0.386 0.000 1.006 271 S CA 0.571 58.259 58.200 -0.854 0.000 1.115 271 S CB -1.755 60.554 63.200 -1.484 0.000 0.893 271 S HN 0.818 nan 8.310 nan 0.000 0.475 272 N N 0.759 119.317 118.700 -0.236 0.000 2.265 272 N HA 0.390 5.135 4.740 0.010 0.000 0.300 272 N C -2.365 173.084 175.510 -0.102 0.000 1.148 272 N CA -1.489 51.477 53.050 -0.141 0.000 0.772 272 N CB 2.148 40.568 38.487 -0.111 0.000 1.434 272 N HN 0.093 nan 8.380 nan 0.000 0.481 273 P HA 0.014 nan 4.420 nan 0.000 0.245 273 P C 0.476 177.754 177.300 -0.037 0.000 1.212 273 P CA -0.105 62.968 63.100 -0.045 0.000 0.774 273 P CB 0.246 31.928 31.700 -0.031 0.000 0.999 274 L N 2.456 123.643 121.223 -0.060 0.000 2.747 274 L HA -0.074 4.272 4.340 0.010 0.000 0.286 274 L C 1.474 178.314 176.870 -0.051 0.000 1.216 274 L CA 1.367 56.157 54.840 -0.084 0.000 0.930 274 L CB -0.328 41.667 42.059 -0.108 0.000 1.216 274 L HN 0.052 nan 8.230 nan 0.000 0.486 275 T N 1.147 115.690 114.554 -0.017 0.000 3.001 275 T HA 0.206 4.562 4.350 0.010 0.000 0.251 275 T C 0.311 175.079 174.700 0.113 0.000 1.040 275 T CA 0.528 62.669 62.100 0.067 0.000 0.985 275 T CB -0.265 68.676 68.868 0.122 0.000 1.011 275 T HN 0.774 nan 8.240 nan 0.000 0.509 276 H N -0.770 118.299 119.070 -0.002 0.000 3.064 276 H HA 0.627 5.189 4.556 0.011 0.000 0.352 276 H C -2.000 173.327 175.328 -0.002 0.000 1.260 276 H CA -1.277 54.770 56.048 -0.001 0.000 1.160 276 H CB 0.790 30.552 29.762 -0.000 0.000 1.879 276 H HN 0.136 nan 8.280 nan 0.000 0.544 277 L N 2.071 123.278 121.223 -0.027 0.000 2.322 277 L HA 0.483 4.829 4.340 0.010 0.000 0.269 277 L C -1.971 174.919 176.870 0.034 0.000 1.012 277 L CA -1.924 52.883 54.840 -0.055 0.000 0.815 277 L CB 2.119 44.166 42.059 -0.020 0.000 1.295 277 L HN 0.510 nan 8.230 nan 0.000 0.438 278 P HA 0.174 nan 4.420 nan 0.000 0.279 278 P C -0.808 176.507 177.300 0.025 0.000 1.282 278 P CA -0.533 62.590 63.100 0.038 0.000 0.788 278 P CB 0.497 32.206 31.700 0.014 0.000 1.139 279 A N 0.550 123.384 122.820 0.023 0.000 2.587 279 A HA 0.115 4.441 4.320 0.010 0.000 0.235 279 A C 0.339 177.925 177.584 0.003 0.000 1.044 279 A CA 0.278 52.322 52.037 0.013 0.000 0.754 279 A CB -1.039 17.966 19.000 0.009 0.000 0.968 279 A HN 0.450 nan 8.150 nan 0.000 0.509 280 L N 4.286 125.510 121.223 0.001 0.000 2.295 280 L HA 0.370 4.716 4.340 0.010 0.000 0.285 280 L C -2.061 174.804 176.870 -0.008 0.000 1.035 280 L CA -1.934 52.903 54.840 -0.005 0.000 0.806 280 L CB 1.389 43.446 42.059 -0.004 0.000 1.214 280 L HN 0.485 nan 8.230 nan 0.000 0.426 281 P HA 0.072 nan 4.420 nan 0.000 0.271 281 P C 0.464 177.755 177.300 -0.015 0.000 1.218 281 P CA -0.281 62.810 63.100 -0.015 0.000 0.780 281 P CB 0.858 32.546 31.700 -0.020 0.000 0.901 282 S N 0.805 116.498 115.700 -0.013 0.000 2.447 282 S HA -0.055 4.421 4.470 0.010 0.000 0.233 282 S C 1.759 176.350 174.600 -0.016 0.000 1.006 282 S CA 0.878 59.070 58.200 -0.012 0.000 0.957 282 S CB -0.907 62.287 63.200 -0.010 0.000 0.773 282 S HN 0.602 nan 8.310 nan 0.000 0.507 283 G N 0.835 109.623 108.800 -0.019 0.000 3.314 283 G HA2 0.372 4.338 3.960 0.010 0.000 0.238 283 G HA3 0.372 4.338 3.960 0.010 0.000 0.238 283 G C 0.086 174.968 174.900 -0.031 0.000 1.184 283 G CA -0.511 44.575 45.100 -0.024 0.000 0.806 283 G HN 0.405 nan 8.290 nan 0.000 0.536 284 L N 0.427 121.631 121.223 -0.031 0.000 2.490 284 L HA 0.235 4.581 4.340 0.010 0.000 0.274 284 L C 1.093 177.937 176.870 -0.044 0.000 1.201 284 L CA 0.221 55.037 54.840 -0.040 0.000 0.869 284 L CB 1.063 43.102 42.059 -0.034 0.000 1.123 284 L HN 0.099 nan 8.230 nan 0.000 0.484 285 C N 2.451 121.714 119.300 -0.062 0.000 2.964 285 C HA 0.332 4.798 4.460 0.010 0.000 0.358 285 C C 0.248 175.189 174.990 -0.082 0.000 1.289 285 C CA -0.401 58.578 59.018 -0.066 0.000 1.856 285 C CB -0.285 27.410 27.740 -0.075 0.000 2.488 285 C HN 0.599 nan 8.230 nan 0.000 0.604 286 K N 1.525 121.852 120.400 -0.122 0.000 2.463 286 K HA 0.591 4.917 4.320 0.010 0.000 0.255 286 K C -1.537 175.004 176.600 -0.099 0.000 0.942 286 K CA -0.272 55.914 56.287 -0.168 0.000 0.814 286 K CB 2.198 34.449 32.500 -0.415 0.000 1.122 286 K HN 0.026 nan 8.250 nan 0.000 0.425 287 L N 3.479 124.737 121.223 0.059 0.000 2.366 287 L HA 0.445 4.791 4.340 0.010 0.000 0.266 287 L C -1.715 175.360 176.870 0.342 0.000 1.010 287 L CA -0.278 54.632 54.840 0.117 0.000 0.879 287 L CB 0.507 42.603 42.059 0.062 0.000 1.228 287 L HN 0.463 nan 8.230 nan 0.000 0.439 288 W N 7.299 128.577 121.300 -0.036 0.000 2.296 288 W HA 0.457 5.122 4.660 0.008 0.000 0.333 288 W C 0.408 176.862 176.519 -0.108 0.000 0.931 288 W CA -0.949 56.398 57.345 0.003 0.000 1.538 288 W CB 0.601 30.078 29.460 0.028 0.000 1.417 288 W HN 0.500 nan 8.180 nan 0.000 0.380 289 I N 0.969 121.604 120.570 0.108 0.000 3.491 289 I HA 0.303 4.479 4.170 0.010 0.000 0.332 289 I C -0.058 176.066 176.117 0.011 0.000 1.565 289 I CA -0.694 60.600 61.300 -0.010 0.000 1.050 289 I CB -0.784 37.230 38.000 0.024 0.000 1.348 289 I HN -0.064 nan 8.210 nan 0.000 0.506 290 F N 0.713 120.712 119.950 0.082 0.000 2.459 290 F HA 0.737 5.268 4.527 0.007 0.000 0.346 290 F C 1.223 177.140 175.800 0.195 0.000 1.128 290 F CA -0.117 57.923 58.000 0.067 0.000 1.268 290 F CB 0.178 39.172 39.000 -0.009 0.000 1.161 290 F HN 0.283 nan 8.300 nan 0.000 0.583 291 G N 1.714 110.718 108.800 0.340 0.000 2.171 291 G HA2 -0.255 3.711 3.960 0.010 0.000 0.238 291 G HA3 -0.255 3.711 3.960 0.010 0.000 0.238 291 G C -0.194 174.741 174.900 0.058 0.000 1.039 291 G CA 0.083 45.363 45.100 0.300 0.000 0.759 291 G HN 0.840 nan 8.290 nan 0.000 0.501 292 N N -0.960 117.758 118.700 0.030 0.000 3.245 292 N HA 0.443 5.189 4.740 0.010 0.000 0.333 292 N C 0.330 175.837 175.510 -0.005 0.000 1.403 292 N CA -0.400 52.632 53.050 -0.030 0.000 0.648 292 N CB 0.245 38.709 38.487 -0.040 0.000 1.572 292 N HN 0.078 nan 8.380 nan 0.000 0.516 293 Q N 0.818 120.614 119.800 -0.006 0.000 2.139 293 Q HA 0.411 4.757 4.340 0.010 0.000 0.301 293 Q C -0.768 175.244 176.000 0.019 0.000 0.874 293 Q CA -0.118 55.690 55.803 0.008 0.000 1.116 293 Q CB 0.383 29.122 28.738 0.003 0.000 1.278 293 Q HN 0.415 nan 8.270 nan 0.000 0.426 294 L N 1.209 122.444 121.223 0.020 0.000 2.367 294 L HA 0.183 4.529 4.340 0.010 0.000 0.275 294 L C 1.407 178.299 176.870 0.036 0.000 1.129 294 L CA 0.373 55.230 54.840 0.028 0.000 0.839 294 L CB 0.835 42.908 42.059 0.023 0.000 1.133 294 L HN 0.172 nan 8.230 nan 0.000 0.453 295 T N -3.064 111.519 114.554 0.047 0.000 3.023 295 T HA 0.184 4.540 4.350 0.010 0.000 0.253 295 T C 0.423 175.147 174.700 0.040 0.000 1.038 295 T CA 0.171 62.296 62.100 0.041 0.000 0.962 295 T CB 0.229 69.121 68.868 0.040 0.000 1.018 295 T HN 0.607 nan 8.240 nan 0.000 0.521 296 S N 0.284 116.014 115.700 0.050 0.000 2.588 296 S HA 0.734 5.210 4.470 0.010 0.000 0.269 296 S C -1.576 173.052 174.600 0.047 0.000 1.157 296 S CA -1.151 57.075 58.200 0.043 0.000 0.824 296 S CB 1.321 64.547 63.200 0.042 0.000 1.126 296 S HN 0.253 nan 8.310 nan 0.000 0.464 297 L N 1.056 122.301 121.223 0.037 0.000 2.333 297 L HA 0.660 5.006 4.340 0.010 0.000 0.269 297 L C -2.406 174.483 176.870 0.032 0.000 1.010 297 L CA -2.305 52.555 54.840 0.033 0.000 0.818 297 L CB 1.807 43.881 42.059 0.025 0.000 1.306 297 L HN 0.530 nan 8.230 nan 0.000 0.430 298 P HA 0.143 nan 4.420 nan 0.000 0.275 298 P C -0.699 176.611 177.300 0.017 0.000 1.266 298 P CA -0.551 62.564 63.100 0.025 0.000 0.793 298 P CB 0.492 32.207 31.700 0.024 0.000 1.074 299 V N 1.253 121.175 119.914 0.013 0.000 2.617 299 V HA -0.080 4.046 4.120 0.010 0.000 0.304 299 V C 0.584 176.682 176.094 0.007 0.000 1.040 299 V CA 0.452 62.757 62.300 0.009 0.000 1.149 299 V CB -0.760 31.067 31.823 0.006 0.000 0.914 299 V HN 0.257 nan 8.190 nan 0.000 0.487 300 L N 8.352 129.578 121.223 0.005 0.000 2.319 300 L HA 0.352 4.698 4.340 0.010 0.000 0.280 300 L C -1.837 175.032 176.870 -0.001 0.000 1.099 300 L CA -1.765 53.077 54.840 0.003 0.000 0.828 300 L CB 0.741 42.801 42.059 0.003 0.000 1.150 300 L HN 0.465 nan 8.230 nan 0.000 0.442 301 P HA 0.077 nan 4.420 nan 0.000 0.265 301 P C -2.276 175.019 177.300 -0.008 0.000 1.193 301 P CA -1.198 61.898 63.100 -0.007 0.000 0.765 301 P CB 0.286 31.979 31.700 -0.011 0.000 0.823 302 P HA -0.112 nan 4.420 nan 0.000 0.218 302 P C 1.434 178.728 177.300 -0.010 0.000 1.148 302 P CA 1.715 64.811 63.100 -0.007 0.000 0.822 302 P CB -0.245 31.451 31.700 -0.006 0.000 0.784 303 G N -1.161 107.632 108.800 -0.012 0.000 2.985 303 G HA2 0.021 3.987 3.960 0.010 0.000 0.209 303 G HA3 0.021 3.987 3.960 0.010 0.000 0.209 303 G C 0.288 175.176 174.900 -0.020 0.000 1.165 303 G CA -0.220 44.871 45.100 -0.015 0.000 0.776 303 G HN 0.195 nan 8.290 nan 0.000 0.541 304 L N 0.584 121.796 121.223 -0.018 0.000 2.578 304 L HA 0.083 4.428 4.340 0.010 0.000 0.279 304 L C 1.338 178.195 176.870 -0.023 0.000 1.227 304 L CA 0.720 55.548 54.840 -0.021 0.000 0.900 304 L CB 0.770 42.820 42.059 -0.014 0.000 1.144 304 L HN 0.209 nan 8.230 nan 0.000 0.496 305 Q N 2.539 122.322 119.800 -0.028 0.000 2.423 305 Q HA 0.245 4.591 4.340 0.010 0.000 0.231 305 Q C -0.415 175.563 176.000 -0.036 0.000 0.894 305 Q CA 0.399 56.184 55.803 -0.030 0.000 0.938 305 Q CB 0.672 29.391 28.738 -0.031 0.000 1.079 305 Q HN 0.679 nan 8.270 nan 0.000 0.552 306 E N 0.703 120.889 120.200 -0.024 0.000 2.292 306 E HA 0.396 4.752 4.350 0.010 0.000 0.272 306 E C -1.798 174.809 176.600 0.011 0.000 0.881 306 E CA -0.631 55.753 56.400 -0.026 0.000 0.754 306 E CB 2.475 32.217 29.700 0.070 0.000 1.201 306 E HN -0.118 nan 8.360 nan 0.000 0.425 307 L N 2.150 123.338 121.223 -0.059 0.000 2.377 307 L HA 0.414 4.760 4.340 0.010 0.000 0.270 307 L C -1.220 175.604 176.870 -0.076 0.000 0.991 307 L CA -0.182 54.647 54.840 -0.018 0.000 0.851 307 L CB 1.692 43.742 42.059 -0.015 0.000 1.218 307 L HN 0.378 nan 8.230 nan 0.000 0.420 308 S N 3.561 119.252 115.700 -0.014 0.000 2.640 308 S HA 0.624 5.100 4.470 0.010 0.000 0.320 308 S C -0.374 174.289 174.600 0.105 0.000 1.097 308 S CA -0.320 57.847 58.200 -0.056 0.000 1.092 308 S CB 1.218 64.229 63.200 -0.315 0.000 0.988 308 S HN 0.574 nan 8.310 nan 0.000 0.470 309 V N 4.678 124.627 119.914 0.060 0.000 3.157 309 V HA 0.336 4.462 4.120 0.010 0.000 0.361 309 V C 0.127 176.221 176.094 -0.000 0.000 1.421 309 V CA 0.003 62.341 62.300 0.064 0.000 1.213 309 V CB 0.318 32.166 31.823 0.042 0.000 1.164 309 V HN 0.783 nan 8.190 nan 0.000 0.559 310 S N 0.920 116.550 115.700 -0.117 0.000 2.596 310 S HA 0.230 4.706 4.470 0.010 0.000 0.260 310 S C 0.265 174.821 174.600 -0.072 0.000 1.336 310 S CA 0.316 58.311 58.200 -0.342 0.000 0.993 310 S CB 0.329 62.816 63.200 -1.188 0.000 0.923 310 S HN 0.657 nan 8.310 nan 0.000 0.567 311 D N 0.883 121.264 120.400 -0.033 0.000 2.697 311 D HA -0.140 4.506 4.640 0.010 0.000 0.238 311 D C -0.268 176.083 176.300 0.086 0.000 1.152 311 D CA 0.927 54.979 54.000 0.086 0.000 0.666 311 D CB -1.537 39.365 40.800 0.171 0.000 1.037 311 D HN 0.528 nan 8.370 nan 0.000 0.423 312 N N -0.509 118.223 118.700 0.053 0.000 3.369 312 N HA 0.372 5.118 4.740 0.010 0.000 0.362 312 N C -0.013 175.520 175.510 0.038 0.000 1.523 312 N CA -0.616 52.462 53.050 0.046 0.000 0.684 312 N CB 0.767 39.278 38.487 0.040 0.000 1.796 312 N HN -0.178 nan 8.380 nan 0.000 0.641 313 Q N 0.882 120.701 119.800 0.033 0.000 2.324 313 Q HA 0.354 4.700 4.340 0.010 0.000 0.373 313 Q C -1.158 174.859 176.000 0.028 0.000 0.909 313 Q CA -0.070 55.751 55.803 0.030 0.000 1.135 313 Q CB 0.298 29.053 28.738 0.029 0.000 1.313 313 Q HN 0.424 nan 8.270 nan 0.000 0.417 314 L N 0.270 121.509 121.223 0.026 0.000 2.290 314 L HA 0.367 4.713 4.340 0.010 0.000 0.284 314 L C 1.239 178.122 176.870 0.022 0.000 1.078 314 L CA -0.300 54.554 54.840 0.024 0.000 0.815 314 L CB 1.163 43.236 42.059 0.023 0.000 1.162 314 L HN 0.197 nan 8.230 nan 0.000 0.435 315 A N 2.407 125.239 122.820 0.020 0.000 2.072 315 A HA 0.144 4.470 4.320 0.010 0.000 0.216 315 A C 0.830 178.424 177.584 0.016 0.000 1.156 315 A CA 0.926 52.974 52.037 0.018 0.000 0.701 315 A CB -0.039 18.971 19.000 0.016 0.000 0.816 315 A HN 0.743 nan 8.150 nan 0.000 0.458 316 S N -2.249 113.462 115.700 0.017 0.000 2.611 316 S HA 0.700 5.176 4.470 0.010 0.000 0.268 316 S C -1.147 173.463 174.600 0.016 0.000 1.156 316 S CA -0.850 57.359 58.200 0.015 0.000 0.817 316 S CB 0.695 63.903 63.200 0.014 0.000 1.122 316 S HN 0.191 nan 8.310 nan 0.000 0.466 317 L N 1.198 122.430 121.223 0.015 0.000 2.330 317 L HA 0.668 5.014 4.340 0.010 0.000 0.271 317 L C -2.334 174.544 176.870 0.013 0.000 1.013 317 L CA -2.284 52.565 54.840 0.015 0.000 0.816 317 L CB 1.729 43.797 42.059 0.015 0.000 1.287 317 L HN 0.540 nan 8.230 nan 0.000 0.435 318 P HA 0.205 nan 4.420 nan 0.000 0.275 318 P C -0.814 176.491 177.300 0.009 0.000 1.266 318 P CA -0.590 62.517 63.100 0.011 0.000 0.793 318 P CB 0.421 32.128 31.700 0.011 0.000 1.074 319 A N 0.731 123.555 122.820 0.007 0.000 2.565 319 A HA 0.129 4.455 4.320 0.010 0.000 0.237 319 A C 0.080 177.667 177.584 0.004 0.000 1.053 319 A CA 0.169 52.209 52.037 0.005 0.000 0.755 319 A CB -0.984 18.019 19.000 0.004 0.000 0.980 319 A HN 0.465 nan 8.150 nan 0.000 0.506 320 L N 4.729 125.954 121.223 0.003 0.000 2.292 320 L HA 0.347 4.693 4.340 0.010 0.000 0.284 320 L C -1.694 175.175 176.870 -0.001 0.000 1.065 320 L CA -1.903 52.937 54.840 0.001 0.000 0.806 320 L CB 1.125 43.184 42.059 0.000 0.000 1.175 320 L HN 0.560 nan 8.230 nan 0.000 0.431 321 P HA 0.007 nan 4.420 nan 0.000 0.266 321 P C 0.602 177.898 177.300 -0.006 0.000 1.195 321 P CA -0.229 62.868 63.100 -0.005 0.000 0.768 321 P CB 0.924 32.619 31.700 -0.007 0.000 0.838 322 S N 1.550 117.247 115.700 -0.005 0.000 2.400 322 S HA -0.177 4.299 4.470 0.010 0.000 0.232 322 S C 1.111 175.708 174.600 -0.006 0.000 1.025 322 S CA 1.046 59.243 58.200 -0.004 0.000 0.993 322 S CB -0.622 62.576 63.200 -0.003 0.000 0.808 322 S HN 0.459 nan 8.310 nan 0.000 0.478 323 E N 0.864 121.060 120.200 -0.008 0.000 2.479 323 E HA 0.315 4.671 4.350 0.010 0.000 0.193 323 E C 0.303 176.894 176.600 -0.014 0.000 1.049 323 E CA -0.244 56.150 56.400 -0.009 0.000 0.870 323 E CB -0.228 29.466 29.700 -0.010 0.000 0.944 323 E HN 0.544 nan 8.360 nan 0.000 0.492 324 L N 0.618 121.832 121.223 -0.016 0.000 2.499 324 L HA -0.072 4.274 4.340 0.010 0.000 0.273 324 L C 0.734 177.586 176.870 -0.030 0.000 1.195 324 L CA -0.059 54.766 54.840 -0.025 0.000 0.882 324 L CB 0.628 42.671 42.059 -0.026 0.000 1.133 324 L HN 0.202 nan 8.230 nan 0.000 0.483 325 C N 2.433 121.709 119.300 -0.040 0.000 2.935 325 C HA 0.209 4.675 4.460 0.010 0.000 0.308 325 C C 0.697 175.640 174.990 -0.079 0.000 1.263 325 C CA -0.324 58.668 59.018 -0.043 0.000 1.738 325 C CB -0.253 27.475 27.740 -0.020 0.000 2.237 325 C HN 0.651 nan 8.230 nan 0.000 0.600 326 K N 0.933 121.267 120.400 -0.110 0.000 2.482 326 K HA 0.598 4.924 4.320 0.010 0.000 0.251 326 K C -1.642 174.842 176.600 -0.193 0.000 0.936 326 K CA -0.326 55.851 56.287 -0.184 0.000 0.791 326 K CB 2.279 34.568 32.500 -0.352 0.000 1.213 326 K HN -0.069 nan 8.250 nan 0.000 0.428 327 L N 3.463 124.633 121.223 -0.087 0.000 2.377 327 L HA 0.536 4.882 4.340 0.010 0.000 0.270 327 L C -1.995 175.001 176.870 0.210 0.000 0.991 327 L CA -0.256 54.577 54.840 -0.012 0.000 0.851 327 L CB 0.626 42.694 42.059 0.015 0.000 1.218 327 L HN 0.531 nan 8.230 nan 0.000 0.420 328 W N 4.959 126.205 121.300 -0.089 0.000 2.429 328 W HA 0.776 5.441 4.660 0.008 0.000 0.314 328 W C 0.144 176.547 176.519 -0.193 0.000 1.062 328 W CA -1.213 56.058 57.345 -0.123 0.000 1.211 328 W CB 1.633 30.981 29.460 -0.186 0.000 1.305 328 W HN 0.678 nan 8.180 nan 0.000 0.476 329 A N 3.835 126.672 122.820 0.028 0.000 2.816 329 A HA 0.281 4.607 4.320 0.010 0.000 0.208 329 A C -0.870 176.677 177.584 -0.062 0.000 0.896 329 A CA -0.602 51.400 52.037 -0.057 0.000 1.183 329 A CB -1.033 17.975 19.000 0.013 0.000 1.249 329 A HN 0.445 nan 8.150 nan 0.000 0.484 330 Y N -2.211 118.095 120.300 0.010 0.000 2.314 330 Y HA 0.569 5.124 4.550 0.008 0.000 0.334 330 Y C 0.850 176.738 175.900 -0.020 0.000 1.266 330 Y CA -0.207 57.860 58.100 -0.054 0.000 1.391 330 Y CB 0.197 38.581 38.460 -0.127 0.000 1.306 330 Y HN 0.271 nan 8.280 nan 0.000 0.558 331 N N 1.082 119.877 118.700 0.158 0.000 2.727 331 N HA -0.265 4.481 4.740 0.010 0.000 0.251 331 N C -1.621 173.924 175.510 0.059 0.000 1.040 331 N CA 0.932 54.049 53.050 0.112 0.000 0.712 331 N CB -1.363 37.230 38.487 0.177 0.000 0.912 331 N HN 0.972 nan 8.380 nan 0.000 0.545 332 N N -0.348 118.375 118.700 0.038 0.000 3.178 332 N HA 0.490 5.236 4.740 0.010 0.000 0.352 332 N C -0.277 175.250 175.510 0.029 0.000 1.423 332 N CA -0.494 52.573 53.050 0.029 0.000 0.698 332 N CB 0.329 38.827 38.487 0.018 0.000 1.400 332 N HN 0.142 nan 8.380 nan 0.000 0.586 333 Q N 0.462 120.276 119.800 0.025 0.000 2.158 333 Q HA 0.400 4.746 4.340 0.010 0.000 0.306 333 Q C -1.188 174.823 176.000 0.019 0.000 0.878 333 Q CA -0.120 55.697 55.803 0.022 0.000 1.136 333 Q CB 0.512 29.264 28.738 0.023 0.000 1.253 333 Q HN 0.314 nan 8.270 nan 0.000 0.441 334 L N 0.819 122.052 121.223 0.018 0.000 2.455 334 L HA 0.136 4.482 4.340 0.010 0.000 0.272 334 L C 1.242 178.121 176.870 0.015 0.000 1.174 334 L CA 0.405 55.255 54.840 0.016 0.000 0.869 334 L CB 0.643 42.712 42.059 0.017 0.000 1.130 334 L HN 0.383 nan 8.230 nan 0.000 0.474 335 T N -2.915 111.647 114.554 0.014 0.000 2.990 335 T HA 0.152 4.508 4.350 0.010 0.000 0.250 335 T C 0.575 175.282 174.700 0.012 0.000 1.041 335 T CA 0.272 62.380 62.100 0.012 0.000 1.010 335 T CB 0.296 69.171 68.868 0.012 0.000 1.003 335 T HN 0.641 nan 8.240 nan 0.000 0.499 336 S N 0.148 115.855 115.700 0.012 0.000 2.656 336 S HA 0.751 5.227 4.470 0.010 0.000 0.273 336 S C -1.477 173.131 174.600 0.013 0.000 1.168 336 S CA -1.186 57.021 58.200 0.012 0.000 0.817 336 S CB 1.313 64.520 63.200 0.011 0.000 1.146 336 S HN 0.258 nan 8.310 nan 0.000 0.475 337 L N 1.470 122.701 121.223 0.014 0.000 2.330 337 L HA 0.666 5.012 4.340 0.010 0.000 0.271 337 L C -2.152 174.725 176.870 0.012 0.000 1.013 337 L CA -2.255 52.593 54.840 0.014 0.000 0.816 337 L CB 1.634 43.702 42.059 0.016 0.000 1.287 337 L HN 0.572 nan 8.230 nan 0.000 0.435 338 P HA 0.078 nan 4.420 nan 0.000 0.275 338 P C -0.485 176.820 177.300 0.008 0.000 1.266 338 P CA -0.722 62.383 63.100 0.009 0.000 0.793 338 P CB 0.597 32.301 31.700 0.008 0.000 1.074 339 M N 0.541 120.145 119.600 0.007 0.000 2.248 339 M HA 0.024 4.510 4.480 0.010 0.000 0.343 339 M C -0.616 175.687 176.300 0.005 0.000 1.243 339 M CA 0.452 55.755 55.300 0.006 0.000 1.025 339 M CB -0.360 32.243 32.600 0.005 0.000 1.759 339 M HN 0.134 nan 8.290 nan 0.000 0.452 340 L N 7.454 128.680 121.223 0.004 0.000 2.326 340 L HA 0.421 4.767 4.340 0.010 0.000 0.278 340 L C -2.012 174.858 176.870 -0.000 0.000 1.092 340 L CA -2.160 52.681 54.840 0.002 0.000 0.810 340 L CB 0.465 42.525 42.059 0.001 0.000 1.153 340 L HN 0.570 nan 8.230 nan 0.000 0.439 341 P HA 0.010 nan 4.420 nan 0.000 0.266 341 P C 0.567 177.865 177.300 -0.004 0.000 1.195 341 P CA -0.169 62.928 63.100 -0.004 0.000 0.768 341 P CB 0.727 32.422 31.700 -0.008 0.000 0.838 342 S N 1.442 117.142 115.700 -0.001 0.000 2.400 342 S HA -0.113 4.363 4.470 0.010 0.000 0.232 342 S C 1.862 176.464 174.600 0.002 0.000 1.025 342 S CA 1.188 59.389 58.200 0.002 0.000 0.993 342 S CB -1.232 61.970 63.200 0.004 0.000 0.808 342 S HN 0.603 nan 8.310 nan 0.000 0.478 343 G N 0.591 109.391 108.800 -0.000 0.000 3.141 343 G HA2 0.351 4.317 3.960 0.010 0.000 0.218 343 G HA3 0.351 4.317 3.960 0.010 0.000 0.218 343 G C 0.157 175.051 174.900 -0.009 0.000 1.170 343 G CA -0.502 44.599 45.100 0.002 0.000 0.769 343 G HN 0.442 nan 8.290 nan 0.000 0.546 344 L N 0.675 121.886 121.223 -0.021 0.000 2.499 344 L HA 0.139 4.485 4.340 0.010 0.000 0.273 344 L C 1.317 178.141 176.870 -0.077 0.000 1.195 344 L CA 0.598 55.411 54.840 -0.045 0.000 0.882 344 L CB 0.854 42.890 42.059 -0.039 0.000 1.133 344 L HN 0.206 nan 8.230 nan 0.000 0.483 345 Q N 2.818 122.536 119.800 -0.138 0.000 2.423 345 Q HA 0.242 4.588 4.340 0.010 0.000 0.231 345 Q C -0.440 175.211 176.000 -0.582 0.000 0.894 345 Q CA 0.300 55.929 55.803 -0.291 0.000 0.938 345 Q CB 0.861 29.485 28.738 -0.190 0.000 1.079 345 Q HN 0.651 nan 8.270 nan 0.000 0.552 346 E N 1.047 121.036 120.200 -0.352 0.000 2.246 346 E HA 0.404 4.760 4.350 0.010 0.000 0.266 346 E C -1.713 174.847 176.600 -0.066 0.000 0.880 346 E CA -0.574 55.666 56.400 -0.267 0.000 0.762 346 E CB 2.449 32.092 29.700 -0.095 0.000 1.180 346 E HN -0.098 nan 8.360 nan 0.000 0.416 347 L N 2.290 123.479 121.223 -0.055 0.000 2.372 347 L HA 0.409 4.755 4.340 0.010 0.000 0.273 347 L C -1.157 175.735 176.870 0.036 0.000 0.989 347 L CA -0.175 54.681 54.840 0.026 0.000 0.841 347 L CB 1.828 43.892 42.059 0.009 0.000 1.225 347 L HN 0.381 nan 8.230 nan 0.000 0.414 348 S N 4.227 119.997 115.700 0.116 0.000 2.652 348 S HA 0.556 5.032 4.470 0.010 0.000 0.252 348 S C -0.342 174.366 174.600 0.179 0.000 1.219 348 S CA -0.178 58.063 58.200 0.069 0.000 1.151 348 S CB 0.589 63.637 63.200 -0.253 0.000 1.080 348 S HN 0.759 nan 8.310 nan 0.000 0.481 349 V N 1.518 121.499 119.914 0.112 0.000 2.872 349 V HA 0.515 4.641 4.120 0.010 0.000 0.367 349 V C 0.350 176.438 176.094 -0.010 0.000 1.343 349 V CA -0.502 61.845 62.300 0.078 0.000 1.219 349 V CB -0.155 31.700 31.823 0.054 0.000 1.308 349 V HN 0.536 nan 8.190 nan 0.000 0.610 350 S N 1.148 116.771 115.700 -0.129 0.000 2.608 350 S HA 0.279 4.755 4.470 0.010 0.000 0.261 350 S C 0.441 174.878 174.600 -0.271 0.000 1.314 350 S CA 0.293 58.221 58.200 -0.453 0.000 0.992 350 S CB 0.176 62.553 63.200 -1.371 0.000 0.935 350 S HN 0.764 nan 8.310 nan 0.000 0.564 351 D N 1.034 121.281 120.400 -0.256 0.000 2.689 351 D HA -0.144 4.502 4.640 0.010 0.000 0.237 351 D C -0.231 176.064 176.300 -0.009 0.000 1.148 351 D CA 0.934 54.895 54.000 -0.065 0.000 0.656 351 D CB -1.322 39.476 40.800 -0.004 0.000 1.050 351 D HN 0.502 nan 8.370 nan 0.000 0.426 352 N N -0.517 118.174 118.700 -0.015 0.000 3.184 352 N HA 0.437 5.183 4.740 0.010 0.000 0.353 352 N C 0.142 175.657 175.510 0.008 0.000 1.441 352 N CA -0.532 52.522 53.050 0.006 0.000 0.723 352 N CB 0.768 39.259 38.487 0.007 0.000 1.547 352 N HN -0.089 nan 8.380 nan 0.000 0.624 353 Q N 0.598 120.404 119.800 0.011 0.000 2.318 353 Q HA 0.369 4.715 4.340 0.010 0.000 0.371 353 Q C -1.069 174.937 176.000 0.011 0.000 0.896 353 Q CA -0.141 55.669 55.803 0.012 0.000 1.134 353 Q CB 0.429 29.176 28.738 0.014 0.000 1.329 353 Q HN 0.287 nan 8.270 nan 0.000 0.413 354 L N 0.747 121.975 121.223 0.009 0.000 2.477 354 L HA 0.158 4.504 4.340 0.010 0.000 0.272 354 L C 1.192 178.068 176.870 0.010 0.000 1.157 354 L CA -0.167 54.679 54.840 0.010 0.000 0.889 354 L CB 0.625 42.690 42.059 0.010 0.000 1.158 354 L HN 0.394 nan 8.230 nan 0.000 0.473 355 A N 2.779 125.605 122.820 0.010 0.000 2.123 355 A HA 0.115 4.441 4.320 0.010 0.000 0.214 355 A C 0.906 178.495 177.584 0.010 0.000 1.152 355 A CA 0.941 52.984 52.037 0.010 0.000 0.728 355 A CB 0.001 19.006 19.000 0.009 0.000 0.814 355 A HN 0.748 nan 8.150 nan 0.000 0.464 356 S N -2.115 113.591 115.700 0.011 0.000 2.615 356 S HA 0.677 5.153 4.470 0.010 0.000 0.269 356 S C -1.113 173.495 174.600 0.013 0.000 1.161 356 S CA -0.863 57.344 58.200 0.012 0.000 0.817 356 S CB 0.552 63.758 63.200 0.011 0.000 1.131 356 S HN 0.194 nan 8.310 nan 0.000 0.467 357 L N 1.644 122.876 121.223 0.015 0.000 2.331 357 L HA 0.657 5.003 4.340 0.010 0.000 0.275 357 L C -2.087 174.791 176.870 0.014 0.000 1.022 357 L CA -2.111 52.738 54.840 0.016 0.000 0.812 357 L CB 1.535 43.606 42.059 0.020 0.000 1.257 357 L HN 0.599 nan 8.230 nan 0.000 0.435 358 P HA 0.213 nan 4.420 nan 0.000 0.293 358 P C -0.607 176.700 177.300 0.012 0.000 1.304 358 P CA -0.560 62.547 63.100 0.012 0.000 0.767 358 P CB 0.258 31.964 31.700 0.010 0.000 1.247 359 T N 0.489 115.050 114.554 0.011 0.000 2.933 359 T HA 0.118 4.474 4.350 0.010 0.000 0.306 359 T C 0.378 175.084 174.700 0.011 0.000 1.045 359 T CA 0.274 62.381 62.100 0.011 0.000 1.143 359 T CB -0.451 68.423 68.868 0.010 0.000 1.003 359 T HN 0.142 nan 8.240 nan 0.000 0.540 360 L N 6.059 127.290 121.223 0.013 0.000 2.292 360 L HA 0.373 4.718 4.340 0.010 0.000 0.284 360 L C -1.618 175.258 176.870 0.010 0.000 1.065 360 L CA -2.184 52.663 54.840 0.012 0.000 0.806 360 L CB 0.748 42.817 42.059 0.017 0.000 1.175 360 L HN 0.448 nan 8.230 nan 0.000 0.431 361 P HA 0.066 nan 4.420 nan 0.000 0.274 361 P C 0.474 177.780 177.300 0.011 0.000 1.231 361 P CA -0.460 62.644 63.100 0.005 0.000 0.790 361 P CB 1.090 32.789 31.700 -0.002 0.000 0.951 362 S N 0.678 116.387 115.700 0.015 0.000 2.423 362 S HA -0.129 4.347 4.470 0.010 0.000 0.231 362 S C 1.016 175.636 174.600 0.032 0.000 1.014 362 S CA 0.847 59.061 58.200 0.023 0.000 0.965 362 S CB -0.604 62.609 63.200 0.021 0.000 0.785 362 S HN 0.467 nan 8.310 nan 0.000 0.495 363 E N 0.646 120.864 120.200 0.030 0.000 2.474 363 E HA 0.289 4.645 4.350 0.010 0.000 0.195 363 E C -0.043 176.586 176.600 0.048 0.000 1.039 363 E CA -0.303 56.128 56.400 0.052 0.000 0.881 363 E CB -0.233 29.498 29.700 0.051 0.000 0.970 363 E HN 0.444 nan 8.360 nan 0.000 0.486 364 L N 2.520 123.747 121.223 0.006 0.000 2.562 364 L HA -0.114 4.232 4.340 0.010 0.000 0.271 364 L C 0.704 177.578 176.870 0.008 0.000 1.167 364 L CA 0.282 55.089 54.840 -0.055 0.000 0.917 364 L CB 0.039 42.075 42.059 -0.039 0.000 1.187 364 L HN 0.063 nan 8.230 nan 0.000 0.482 365 Y N 2.440 122.755 120.300 0.025 0.000 2.449 365 Y HA 0.392 4.947 4.550 0.009 0.000 0.254 365 Y C 0.365 176.284 175.900 0.032 0.000 1.140 365 Y CA -0.665 57.452 58.100 0.028 0.000 1.272 365 Y CB -0.168 38.307 38.460 0.025 0.000 1.114 365 Y HN 0.488 nan 8.280 nan 0.000 0.525 366 K N 1.255 121.586 120.400 -0.116 0.000 2.565 366 K HA 0.507 4.833 4.320 0.010 0.000 0.249 366 K C -2.414 174.146 176.600 -0.067 0.000 0.958 366 K CA -0.956 55.304 56.287 -0.044 0.000 0.806 366 K CB 1.650 34.050 32.500 -0.166 0.000 1.194 366 K HN 0.180 nan 8.250 nan 0.000 0.434 367 L N 5.657 126.940 121.223 0.100 0.000 2.377 367 L HA 0.566 4.912 4.340 0.010 0.000 0.270 367 L C -2.141 174.943 176.870 0.356 0.000 0.991 367 L CA -0.237 54.686 54.840 0.139 0.000 0.851 367 L CB 0.696 42.818 42.059 0.105 0.000 1.218 367 L HN 0.584 nan 8.230 nan 0.000 0.420 368 W N 4.998 126.291 121.300 -0.011 0.000 2.411 368 W HA 0.757 5.421 4.660 0.008 0.000 0.317 368 W C 0.084 176.568 176.519 -0.059 0.000 1.030 368 W CA -1.217 56.122 57.345 -0.010 0.000 1.239 368 W CB 1.805 31.238 29.460 -0.044 0.000 1.304 368 W HN 0.670 nan 8.180 nan 0.000 0.437 369 A N 4.491 127.396 122.820 0.143 0.000 2.843 369 A HA 0.331 4.657 4.320 0.010 0.000 0.248 369 A C -0.719 176.857 177.584 -0.013 0.000 0.904 369 A CA -0.595 51.450 52.037 0.013 0.000 1.091 369 A CB -0.920 18.103 19.000 0.039 0.000 1.208 369 A HN 0.434 nan 8.150 nan 0.000 0.476 370 Y N -1.673 118.614 120.300 -0.023 0.000 2.426 370 Y HA 0.438 4.994 4.550 0.009 0.000 0.344 370 Y C 0.467 176.347 175.900 -0.034 0.000 1.256 370 Y CA -0.338 57.723 58.100 -0.065 0.000 1.451 370 Y CB 0.008 38.386 38.460 -0.135 0.000 1.342 370 Y HN 0.298 nan 8.280 nan 0.000 0.600 371 N N 1.388 120.179 118.700 0.151 0.000 2.671 371 N HA -0.260 4.486 4.740 0.010 0.000 0.261 371 N C -1.499 174.021 175.510 0.017 0.000 1.053 371 N CA 0.975 54.077 53.050 0.086 0.000 0.732 371 N CB -1.488 37.084 38.487 0.141 0.000 0.887 371 N HN 0.914 nan 8.380 nan 0.000 0.546 372 N N -0.130 118.577 118.700 0.013 0.000 3.427 372 N HA 0.484 5.230 4.740 0.010 0.000 0.364 372 N C 0.238 175.754 175.510 0.011 0.000 1.538 372 N CA -0.735 52.319 53.050 0.005 0.000 0.662 372 N CB 1.043 39.529 38.487 -0.001 0.000 1.881 372 N HN 0.095 nan 8.380 nan 0.000 0.634 373 R N 0.314 120.819 120.500 0.009 0.000 2.690 373 R HA 0.377 4.723 4.340 0.010 0.000 0.419 373 R C -0.827 175.478 176.300 0.008 0.000 1.090 373 R CA -0.213 55.892 56.100 0.009 0.000 1.064 373 R CB -0.044 30.262 30.300 0.010 0.000 1.391 373 R HN 0.303 nan 8.270 nan 0.000 0.586 374 L N 0.811 122.039 121.223 0.008 0.000 2.416 374 L HA 0.133 4.479 4.340 0.010 0.000 0.272 374 L C 1.538 178.412 176.870 0.006 0.000 1.161 374 L CA 0.209 55.054 54.840 0.009 0.000 0.845 374 L CB 1.067 43.132 42.059 0.011 0.000 1.119 374 L HN 0.223 nan 8.230 nan 0.000 0.464 375 T N -3.087 111.470 114.554 0.006 0.000 2.971 375 T HA 0.215 4.571 4.350 0.010 0.000 0.252 375 T C 0.675 175.377 174.700 0.004 0.000 1.022 375 T CA -0.148 61.954 62.100 0.004 0.000 0.980 375 T CB 0.488 69.359 68.868 0.005 0.000 1.044 375 T HN 0.442 nan 8.240 nan 0.000 0.501 376 S N -0.069 115.635 115.700 0.007 0.000 2.651 376 S HA 0.752 5.228 4.470 0.010 0.000 0.279 376 S C -1.484 173.122 174.600 0.010 0.000 1.148 376 S CA -0.916 57.288 58.200 0.007 0.000 0.837 376 S CB 1.676 64.880 63.200 0.008 0.000 1.138 376 S HN 0.311 nan 8.310 nan 0.000 0.478 377 L N 1.963 123.193 121.223 0.012 0.000 2.334 377 L HA 0.561 4.907 4.340 0.010 0.000 0.273 377 L C -2.272 174.607 176.870 0.015 0.000 1.013 377 L CA -2.159 52.690 54.840 0.015 0.000 0.816 377 L CB 1.172 43.242 42.059 0.019 0.000 1.278 377 L HN 0.431 nan 8.230 nan 0.000 0.431 378 P HA 0.104 nan 4.420 nan 0.000 0.271 378 P C -0.613 176.697 177.300 0.017 0.000 1.244 378 P CA -0.504 62.605 63.100 0.016 0.000 0.793 378 P CB 0.372 32.081 31.700 0.016 0.000 0.984 379 A N 1.283 124.112 122.820 0.016 0.000 2.565 379 A HA 0.132 4.458 4.320 0.010 0.000 0.237 379 A C 0.082 177.679 177.584 0.021 0.000 1.053 379 A CA 0.097 52.144 52.037 0.018 0.000 0.755 379 A CB -0.887 18.122 19.000 0.016 0.000 0.980 379 A HN 0.483 nan 8.150 nan 0.000 0.506 380 L N 3.870 125.108 121.223 0.024 0.000 2.292 380 L HA 0.342 4.688 4.340 0.010 0.000 0.284 380 L C -1.942 174.947 176.870 0.031 0.000 1.065 380 L CA -1.900 52.958 54.840 0.030 0.000 0.806 380 L CB 0.768 42.848 42.059 0.035 0.000 1.175 380 L HN 0.476 nan 8.230 nan 0.000 0.431 381 P HA 0.021 nan 4.420 nan 0.000 0.264 381 P C 0.521 177.846 177.300 0.042 0.000 1.183 381 P CA 0.181 63.303 63.100 0.036 0.000 0.763 381 P CB 0.753 32.476 31.700 0.039 0.000 0.807 382 S N 2.190 117.913 115.700 0.038 0.000 2.402 382 S HA -0.105 4.371 4.470 0.010 0.000 0.233 382 S C 1.719 176.347 174.600 0.047 0.000 1.030 382 S CA 1.743 59.966 58.200 0.038 0.000 1.003 382 S CB -0.604 62.614 63.200 0.031 0.000 0.813 382 S HN 0.761 nan 8.310 nan 0.000 0.477 383 G N 0.311 109.147 108.800 0.060 0.000 3.523 383 G HA2 0.345 4.311 3.960 0.010 0.000 0.270 383 G HA3 0.345 4.311 3.960 0.010 0.000 0.270 383 G C -0.051 174.913 174.900 0.108 0.000 1.134 383 G CA -0.403 44.742 45.100 0.076 0.000 0.825 383 G HN 0.325 nan 8.290 nan 0.000 0.534 384 L N 0.318 121.599 121.223 0.096 0.000 2.410 384 L HA 0.346 4.692 4.340 0.010 0.000 0.273 384 L C 1.208 178.150 176.870 0.120 0.000 1.144 384 L CA 0.375 55.284 54.840 0.116 0.000 0.863 384 L CB 0.759 42.870 42.059 0.087 0.000 1.140 384 L HN 0.036 nan 8.230 nan 0.000 0.463 385 K N 2.849 123.345 120.400 0.161 0.000 2.313 385 K HA 0.226 4.551 4.320 0.010 0.000 0.197 385 K C -0.321 176.371 176.600 0.153 0.000 1.061 385 K CA 0.376 56.746 56.287 0.138 0.000 0.980 385 K CB 0.477 33.059 32.500 0.137 0.000 0.888 385 K HN 0.621 nan 8.250 nan 0.000 0.502 386 E N 1.044 121.365 120.200 0.201 0.000 2.256 386 E HA 0.312 4.668 4.350 0.010 0.000 0.268 386 E C -1.747 174.993 176.600 0.233 0.000 0.877 386 E CA -0.707 55.837 56.400 0.239 0.000 0.757 386 E CB 2.333 32.272 29.700 0.398 0.000 1.183 386 E HN -0.146 nan 8.360 nan 0.000 0.418 387 L N 4.649 125.973 121.223 0.169 0.000 2.406 387 L HA 0.496 4.842 4.340 0.010 0.000 0.270 387 L C -1.715 175.200 176.870 0.075 0.000 0.982 387 L CA -0.229 54.693 54.840 0.138 0.000 0.843 387 L CB 0.958 43.067 42.059 0.083 0.000 1.225 387 L HN 0.538 nan 8.230 nan 0.000 0.412 388 I N 6.396 127.013 120.570 0.079 0.000 2.420 388 I HA 0.350 4.526 4.170 0.010 0.000 0.282 388 I C 0.192 176.329 176.117 0.032 0.000 1.019 388 I CA -0.604 60.661 61.300 -0.059 0.000 1.130 388 I CB 1.664 39.451 38.000 -0.354 0.000 1.262 388 I HN 0.480 nan 8.210 nan 0.000 0.454 389 V N 1.706 121.626 119.914 0.010 0.000 3.070 389 V HA 0.232 4.358 4.120 0.010 0.000 0.355 389 V C 0.592 176.682 176.094 -0.006 0.000 1.400 389 V CA -0.426 61.891 62.300 0.029 0.000 1.170 389 V CB -0.177 31.660 31.823 0.023 0.000 1.169 389 V HN 0.649 nan 8.190 nan 0.000 0.554 390 S N 0.204 115.879 115.700 -0.042 0.000 2.576 390 S HA 0.522 4.998 4.470 0.010 0.000 0.272 390 S C 1.250 175.832 174.600 -0.030 0.000 1.352 390 S CA 0.590 58.730 58.200 -0.100 0.000 1.021 390 S CB 0.654 63.733 63.200 -0.202 0.000 0.887 390 S HN 2.291 nan 8.310 nan 0.000 0.542 391 G N 1.506 110.272 108.800 -0.057 0.000 2.314 391 G HA2 -0.211 3.755 3.960 0.010 0.000 0.292 391 G HA3 -0.211 3.755 3.960 0.010 0.000 0.292 391 G C -0.018 174.886 174.900 0.008 0.000 1.059 391 G CA 0.139 45.232 45.100 -0.011 0.000 0.982 391 G HN 0.747 nan 8.290 nan 0.000 0.505 392 N N -0.946 117.750 118.700 -0.006 0.000 3.124 392 N HA 0.560 5.306 4.740 0.010 0.000 0.350 392 N C 0.855 176.363 175.510 -0.004 0.000 1.411 392 N CA -0.724 52.327 53.050 0.001 0.000 0.729 392 N CB 0.718 39.206 38.487 0.003 0.000 1.379 392 N HN 0.233 nan 8.380 nan 0.000 0.599 393 R N 0.320 120.819 120.500 -0.002 0.000 2.727 393 R HA 0.417 4.763 4.340 0.010 0.000 0.410 393 R C -0.526 175.772 176.300 -0.004 0.000 1.101 393 R CA -0.238 55.860 56.100 -0.003 0.000 1.045 393 R CB 0.062 30.363 30.300 0.001 0.000 1.380 393 R HN 0.292 nan 8.270 nan 0.000 0.587 394 L N 1.505 122.724 121.223 -0.007 0.000 2.513 394 L HA 0.025 4.371 4.340 0.010 0.000 0.272 394 L C 1.509 178.375 176.870 -0.006 0.000 1.187 394 L CA 0.384 55.221 54.840 -0.006 0.000 0.895 394 L CB 0.801 42.855 42.059 -0.009 0.000 1.147 394 L HN 0.324 nan 8.230 nan 0.000 0.483 395 T N -2.328 112.225 114.554 -0.003 0.000 3.086 395 T HA 0.160 4.516 4.350 0.010 0.000 0.250 395 T C 0.472 175.171 174.700 -0.001 0.000 1.074 395 T CA 0.222 62.321 62.100 -0.002 0.000 0.988 395 T CB 0.069 68.937 68.868 0.000 0.000 0.988 395 T HN 0.664 nan 8.240 nan 0.000 0.530 396 S N -0.043 115.656 115.700 -0.001 0.000 2.611 396 S HA 0.626 5.102 4.470 0.010 0.000 0.270 396 S C -1.799 172.802 174.600 0.002 0.000 1.131 396 S CA -1.231 56.969 58.200 0.001 0.000 0.826 396 S CB 0.814 64.016 63.200 0.003 0.000 1.095 396 S HN 0.252 nan 8.310 nan 0.000 0.461 397 L N 1.658 122.883 121.223 0.003 0.000 2.354 397 L HA 0.707 5.053 4.340 0.010 0.000 0.269 397 L C -2.139 174.737 176.870 0.009 0.000 1.005 397 L CA -2.084 52.760 54.840 0.007 0.000 0.819 397 L CB 2.142 44.204 42.059 0.006 0.000 1.311 397 L HN 0.626 nan 8.230 nan 0.000 0.423 398 P HA 0.204 nan 4.420 nan 0.000 0.293 398 P C -0.529 176.780 177.300 0.015 0.000 1.304 398 P CA -0.508 62.599 63.100 0.013 0.000 0.767 398 P CB 0.676 32.385 31.700 0.015 0.000 1.247 399 V N 0.295 120.218 119.914 0.015 0.000 2.720 399 V HA -0.104 4.022 4.120 0.010 0.000 0.307 399 V C 0.817 176.923 176.094 0.020 0.000 1.071 399 V CA 0.616 62.926 62.300 0.016 0.000 1.199 399 V CB -0.801 31.031 31.823 0.015 0.000 0.900 399 V HN 0.231 nan 8.190 nan 0.000 0.494 400 L N 7.870 129.106 121.223 0.021 0.000 2.312 400 L HA 0.458 4.804 4.340 0.010 0.000 0.281 400 L C -1.882 175.005 176.870 0.027 0.000 1.070 400 L CA -1.622 53.234 54.840 0.026 0.000 0.805 400 L CB 1.164 43.239 42.059 0.026 0.000 1.174 400 L HN 0.492 nan 8.230 nan 0.000 0.434 401 P HA 0.098 nan 4.420 nan 0.000 0.277 401 P C 0.340 177.659 177.300 0.031 0.000 1.240 401 P CA -0.559 62.560 63.100 0.032 0.000 0.798 401 P CB 1.394 33.117 31.700 0.038 0.000 0.979 402 S N 0.809 116.525 115.700 0.026 0.000 2.469 402 S HA -0.139 4.337 4.470 0.010 0.000 0.238 402 S C 0.913 175.528 174.600 0.025 0.000 0.998 402 S CA 0.879 59.092 58.200 0.023 0.000 0.957 402 S CB -0.777 62.433 63.200 0.017 0.000 0.764 402 S HN 0.582 nan 8.310 nan 0.000 0.514 403 E N 0.351 120.570 120.200 0.031 0.000 2.476 403 E HA 0.297 4.653 4.350 0.010 0.000 0.196 403 E C -0.326 176.299 176.600 0.042 0.000 1.029 403 E CA -0.461 55.959 56.400 0.033 0.000 0.896 403 E CB 0.082 29.802 29.700 0.033 0.000 1.012 403 E HN 0.351 nan 8.360 nan 0.000 0.475 404 L N 1.875 123.126 121.223 0.046 0.000 2.513 404 L HA -0.050 4.296 4.340 0.010 0.000 0.272 404 L C 0.788 177.687 176.870 0.048 0.000 1.187 404 L CA 0.875 55.748 54.840 0.055 0.000 0.895 404 L CB 0.532 42.622 42.059 0.051 0.000 1.147 404 L HN -0.109 nan 8.230 nan 0.000 0.483 405 K N 2.663 123.098 120.400 0.057 0.000 2.350 405 K HA 0.217 4.543 4.320 0.010 0.000 0.196 405 K C -0.368 176.261 176.600 0.049 0.000 1.084 405 K CA 0.172 56.489 56.287 0.049 0.000 0.967 405 K CB 0.533 33.063 32.500 0.050 0.000 0.950 405 K HN 0.502 nan 8.250 nan 0.000 0.512 406 E N 1.476 121.714 120.200 0.063 0.000 2.185 406 E HA 0.222 4.578 4.350 0.010 0.000 0.261 406 E C -1.447 175.176 176.600 0.038 0.000 0.879 406 E CA -0.635 55.794 56.400 0.049 0.000 0.756 406 E CB 2.112 31.853 29.700 0.067 0.000 1.152 406 E HN -0.077 nan 8.360 nan 0.000 0.416 407 L N 4.518 125.749 121.223 0.013 0.000 2.366 407 L HA 0.378 4.723 4.340 0.010 0.000 0.266 407 L C -1.326 175.525 176.870 -0.032 0.000 1.010 407 L CA -0.284 54.556 54.840 0.001 0.000 0.879 407 L CB 0.733 42.797 42.059 0.008 0.000 1.228 407 L HN 0.381 nan 8.230 nan 0.000 0.439 408 M N 6.956 126.520 119.600 -0.059 0.000 2.018 408 M HA 0.383 4.869 4.480 0.010 0.000 0.311 408 M C 0.160 176.386 176.300 -0.125 0.000 0.928 408 M CA -0.367 54.866 55.300 -0.113 0.000 0.911 408 M CB 1.203 33.705 32.600 -0.164 0.000 1.447 408 M HN 0.399 nan 8.290 nan 0.000 0.407 409 V N 0.067 119.896 119.914 -0.142 0.000 3.070 409 V HA 0.281 4.407 4.120 0.010 0.000 0.355 409 V C 0.654 176.627 176.094 -0.201 0.000 1.400 409 V CA -0.535 61.688 62.300 -0.128 0.000 1.170 409 V CB -0.232 31.546 31.823 -0.074 0.000 1.169 409 V HN 0.737 nan 8.190 nan 0.000 0.554 410 S N 0.631 116.119 115.700 -0.354 0.000 2.576 410 S HA 0.495 4.971 4.470 0.010 0.000 0.272 410 S C 1.217 175.591 174.600 -0.377 0.000 1.352 410 S CA 0.879 58.733 58.200 -0.576 0.000 1.021 410 S CB 0.607 62.954 63.200 -1.422 0.000 0.887 410 S HN 2.374 nan 8.310 nan 0.000 0.542 411 G N 1.839 110.465 108.800 -0.289 0.000 2.298 411 G HA2 -0.234 3.732 3.960 0.010 0.000 0.287 411 G HA3 -0.234 3.732 3.960 0.010 0.000 0.287 411 G C -0.230 174.618 174.900 -0.086 0.000 1.075 411 G CA 0.374 45.395 45.100 -0.131 0.000 0.960 411 G HN 0.979 nan 8.290 nan 0.000 0.502 412 N N -1.504 117.149 118.700 -0.077 0.000 3.294 412 N HA 0.723 5.469 4.740 0.010 0.000 0.355 412 N C 0.679 176.172 175.510 -0.029 0.000 1.497 412 N CA -1.133 51.890 53.050 -0.046 0.000 0.707 412 N CB 0.812 39.270 38.487 -0.049 0.000 1.732 412 N HN 0.111 nan 8.380 nan 0.000 0.640 413 R N 0.485 120.973 120.500 -0.019 0.000 2.748 413 R HA 0.378 4.724 4.340 0.010 0.000 0.395 413 R C -0.816 175.479 176.300 -0.010 0.000 1.128 413 R CA -0.225 55.868 56.100 -0.011 0.000 1.042 413 R CB -0.114 30.182 30.300 -0.006 0.000 1.392 413 R HN 0.281 nan 8.270 nan 0.000 0.582 414 L N 1.057 122.272 121.223 -0.014 0.000 2.367 414 L HA 0.139 4.485 4.340 0.010 0.000 0.275 414 L C 1.630 178.497 176.870 -0.006 0.000 1.129 414 L CA 0.011 54.845 54.840 -0.010 0.000 0.839 414 L CB 1.283 43.333 42.059 -0.015 0.000 1.133 414 L HN 0.271 nan 8.230 nan 0.000 0.453 415 T N -2.680 111.873 114.554 -0.003 0.000 3.037 415 T HA 0.109 4.465 4.350 0.010 0.000 0.251 415 T C 0.636 175.336 174.700 0.000 0.000 1.079 415 T CA 0.313 62.413 62.100 -0.000 0.000 1.067 415 T CB 0.206 69.075 68.868 0.000 0.000 0.948 415 T HN 0.627 nan 8.240 nan 0.000 0.496 416 S N 0.017 115.717 115.700 0.000 0.000 2.625 416 S HA 0.729 5.205 4.470 0.010 0.000 0.271 416 S C -1.426 173.175 174.600 0.001 0.000 1.161 416 S CA -1.184 57.017 58.200 0.001 0.000 0.820 416 S CB 1.310 64.512 63.200 0.002 0.000 1.137 416 S HN 0.258 nan 8.310 nan 0.000 0.470 417 L N 1.303 122.528 121.223 0.004 0.000 2.334 417 L HA 0.619 4.965 4.340 0.010 0.000 0.273 417 L C -2.291 174.585 176.870 0.009 0.000 1.013 417 L CA -2.305 52.538 54.840 0.005 0.000 0.816 417 L CB 1.471 43.534 42.059 0.007 0.000 1.278 417 L HN 0.536 nan 8.230 nan 0.000 0.431 418 P HA 0.054 nan 4.420 nan 0.000 0.272 418 P C -0.313 176.998 177.300 0.017 0.000 1.254 418 P CA -0.610 62.498 63.100 0.013 0.000 0.795 418 P CB 0.425 32.133 31.700 0.014 0.000 1.022 419 M N 0.690 120.302 119.600 0.019 0.000 2.248 419 M HA -0.002 4.484 4.480 0.010 0.000 0.343 419 M C -0.827 175.489 176.300 0.027 0.000 1.243 419 M CA 0.649 55.963 55.300 0.025 0.000 1.025 419 M CB -0.361 32.253 32.600 0.023 0.000 1.759 419 M HN 0.123 nan 8.290 nan 0.000 0.452 420 L N 8.107 129.350 121.223 0.033 0.000 2.276 420 L HA 0.416 4.762 4.340 0.010 0.000 0.286 420 L C -2.036 174.855 176.870 0.035 0.000 1.061 420 L CA -2.178 52.682 54.840 0.034 0.000 0.807 420 L CB 0.733 42.815 42.059 0.038 0.000 1.177 420 L HN 0.538 nan 8.230 nan 0.000 0.429 421 P HA 0.000 nan 4.420 nan 0.000 0.264 421 P C 0.728 178.046 177.300 0.030 0.000 1.193 421 P CA -0.065 63.052 63.100 0.028 0.000 0.763 421 P CB 0.833 32.550 31.700 0.028 0.000 0.810 422 S N 2.172 117.888 115.700 0.027 0.000 2.440 422 S HA -0.154 4.322 4.470 0.010 0.000 0.240 422 S C 1.811 176.426 174.600 0.025 0.000 1.014 422 S CA 1.314 59.532 58.200 0.029 0.000 0.980 422 S CB -1.139 62.070 63.200 0.015 0.000 0.775 422 S HN 0.578 nan 8.310 nan 0.000 0.499 423 G N 0.351 109.164 108.800 0.022 0.000 3.141 423 G HA2 0.371 4.337 3.960 0.010 0.000 0.218 423 G HA3 0.371 4.337 3.960 0.010 0.000 0.218 423 G C 0.108 175.021 174.900 0.023 0.000 1.170 423 G CA -0.518 44.593 45.100 0.019 0.000 0.769 423 G HN 0.411 nan 8.290 nan 0.000 0.546 424 L N 1.123 122.362 121.223 0.026 0.000 2.513 424 L HA 0.208 4.554 4.340 0.010 0.000 0.272 424 L C 1.222 178.107 176.870 0.024 0.000 1.187 424 L CA 0.336 55.193 54.840 0.028 0.000 0.895 424 L CB 0.754 42.830 42.059 0.029 0.000 1.147 424 L HN 0.076 nan 8.230 nan 0.000 0.483 425 L N 2.169 123.407 121.223 0.024 0.000 2.515 425 L HA 0.234 4.580 4.340 0.010 0.000 0.223 425 L C 0.244 177.125 176.870 0.018 0.000 1.079 425 L CA 0.126 54.978 54.840 0.020 0.000 0.857 425 L CB -0.002 42.070 42.059 0.021 0.000 1.050 425 L HN 0.588 nan 8.230 nan 0.000 0.476 426 S N 0.795 116.506 115.700 0.019 0.000 2.571 426 S HA 0.571 5.047 4.470 0.010 0.000 0.284 426 S C -1.127 173.481 174.600 0.014 0.000 1.128 426 S CA -0.393 57.816 58.200 0.014 0.000 0.970 426 S CB 2.845 66.046 63.200 0.003 0.000 1.039 426 S HN -0.003 nan 8.310 nan 0.000 0.485 427 L N 2.830 124.064 121.223 0.019 0.000 2.377 427 L HA 0.708 5.054 4.340 0.010 0.000 0.270 427 L C -0.675 176.209 176.870 0.023 0.000 0.991 427 L CA 0.064 54.914 54.840 0.017 0.000 0.851 427 L CB 1.499 43.573 42.059 0.025 0.000 1.218 427 L HN 0.641 nan 8.230 nan 0.000 0.420 428 S N 3.777 119.477 115.700 -0.001 0.000 2.640 428 S HA 0.608 5.084 4.470 0.010 0.000 0.320 428 S C 0.107 174.665 174.600 -0.069 0.000 1.097 428 S CA -0.171 58.033 58.200 0.008 0.000 1.092 428 S CB 0.847 64.033 63.200 -0.022 0.000 0.988 428 S HN 0.774 nan 8.310 nan 0.000 0.470 429 V N 3.302 123.203 119.914 -0.023 0.000 3.111 429 V HA 0.460 4.586 4.120 0.010 0.000 0.343 429 V C -0.164 175.913 176.094 -0.029 0.000 1.417 429 V CA -0.683 61.581 62.300 -0.060 0.000 1.142 429 V CB -1.709 30.107 31.823 -0.013 0.000 1.114 429 V HN 0.780 nan 8.190 nan 0.000 0.520 430 Y N 0.188 120.477 120.300 -0.018 0.000 2.457 430 Y HA 0.635 5.191 4.550 0.009 0.000 0.341 430 Y C 0.996 176.884 175.900 -0.019 0.000 1.240 430 Y CA -0.762 57.327 58.100 -0.018 0.000 1.437 430 Y CB 0.124 38.570 38.460 -0.024 0.000 1.328 430 Y HN 0.335 nan 8.280 nan 0.000 0.588 431 R N 1.411 122.020 120.500 0.181 0.000 3.201 431 R HA -0.239 4.107 4.340 0.010 0.000 0.254 431 R C -1.324 174.980 176.300 0.006 0.000 0.978 431 R CA 0.885 57.039 56.100 0.090 0.000 0.661 431 R CB -2.167 28.212 30.300 0.132 0.000 1.170 431 R HN 0.970 nan 8.270 nan 0.000 0.430 432 N N -0.540 118.166 118.700 0.010 0.000 3.369 432 N HA 0.324 5.070 4.740 0.010 0.000 0.362 432 N C -0.235 175.278 175.510 0.004 0.000 1.523 432 N CA -0.800 52.246 53.050 -0.007 0.000 0.684 432 N CB 0.772 39.247 38.487 -0.021 0.000 1.796 432 N HN 0.176 nan 8.380 nan 0.000 0.641 433 Q N 0.446 120.247 119.800 0.001 0.000 2.129 433 Q HA 0.376 4.722 4.340 0.010 0.000 0.274 433 Q C -1.029 174.974 176.000 0.004 0.000 0.854 433 Q CA -0.141 55.664 55.803 0.004 0.000 1.123 433 Q CB 0.406 29.146 28.738 0.002 0.000 1.226 433 Q HN 0.320 nan 8.270 nan 0.000 0.454 434 L N 1.036 122.262 121.223 0.005 0.000 2.410 434 L HA 0.111 4.457 4.340 0.010 0.000 0.273 434 L C 1.430 178.302 176.870 0.003 0.000 1.144 434 L CA 0.301 55.143 54.840 0.004 0.000 0.863 434 L CB 0.603 42.666 42.059 0.006 0.000 1.140 434 L HN 0.280 nan 8.230 nan 0.000 0.463 435 T N -1.029 113.525 114.554 0.000 0.000 2.990 435 T HA 0.243 4.599 4.350 0.010 0.000 0.250 435 T C 0.790 175.486 174.700 -0.007 0.000 1.041 435 T CA -0.276 61.823 62.100 -0.002 0.000 1.010 435 T CB 0.368 69.235 68.868 -0.001 0.000 1.003 435 T HN 0.380 nan 8.240 nan 0.000 0.499 436 R N 0.238 120.734 120.500 -0.007 0.000 2.836 436 R HA 0.711 5.057 4.340 0.010 0.000 0.269 436 R C -1.350 174.945 176.300 -0.009 0.000 1.010 436 R CA -0.879 55.215 56.100 -0.010 0.000 0.930 436 R CB 1.645 31.940 30.300 -0.007 0.000 1.218 436 R HN 0.229 nan 8.270 nan 0.000 0.473 437 L N 2.080 123.296 121.223 -0.013 0.000 2.362 437 L HA 0.496 4.842 4.340 0.010 0.000 0.271 437 L C -2.021 174.848 176.870 -0.002 0.000 1.002 437 L CA -2.128 52.707 54.840 -0.008 0.000 0.818 437 L CB 1.884 43.933 42.059 -0.018 0.000 1.298 437 L HN 0.299 nan 8.230 nan 0.000 0.420 438 P HA 0.025 nan 4.420 nan 0.000 0.268 438 P C 0.292 177.605 177.300 0.021 0.000 1.205 438 P CA -0.196 62.914 63.100 0.018 0.000 0.771 438 P CB 0.813 32.528 31.700 0.024 0.000 0.858 439 E N 1.709 121.929 120.200 0.032 0.000 2.204 439 E HA -0.170 4.186 4.350 0.010 0.000 0.195 439 E C 1.360 178.008 176.600 0.081 0.000 0.990 439 E CA 1.318 57.742 56.400 0.040 0.000 0.821 439 E CB -0.158 29.580 29.700 0.064 0.000 0.750 439 E HN 0.491 nan 8.360 nan 0.000 0.477 440 S N 0.416 116.183 115.700 0.113 0.000 2.500 440 S HA -0.166 4.310 4.470 0.010 0.000 0.239 440 S C 1.866 176.531 174.600 0.108 0.000 0.989 440 S CA 0.843 59.144 58.200 0.169 0.000 0.951 440 S CB -0.302 62.961 63.200 0.105 0.000 0.759 440 S HN 0.378 nan 8.310 nan 0.000 0.523 441 L N 2.659 123.910 121.223 0.047 0.000 2.141 441 L HA 0.143 4.489 4.340 0.010 0.000 0.209 441 L C 1.943 178.820 176.870 0.011 0.000 1.094 441 L CA 1.447 56.305 54.840 0.030 0.000 0.763 441 L CB -0.752 41.317 42.059 0.018 0.000 0.908 441 L HN 0.574 nan 8.230 nan 0.000 0.437 442 I N -3.856 116.676 120.570 -0.064 0.000 3.111 442 I HA -0.059 4.117 4.170 0.010 0.000 0.272 442 I C 1.460 177.435 176.117 -0.237 0.000 1.268 442 I CA 0.859 62.089 61.300 -0.117 0.000 1.467 442 I CB -0.716 37.185 38.000 -0.165 0.000 1.087 442 I HN 0.202 nan 8.210 nan 0.000 0.467 443 H N 0.771 119.858 119.070 0.028 0.000 2.551 443 H HA 0.351 4.913 4.556 0.010 0.000 0.271 443 H C 0.577 175.896 175.328 -0.014 0.000 0.984 443 H CA -0.318 55.729 56.048 -0.001 0.000 1.164 443 H CB 0.344 30.108 29.762 0.004 0.000 1.437 443 H HN 0.228 nan 8.280 nan 0.000 0.550 444 L N 1.738 123.004 121.223 0.072 0.000 2.476 444 L HA 0.003 4.349 4.340 0.010 0.000 0.264 444 L C 1.240 178.108 176.870 -0.002 0.000 1.224 444 L CA 0.092 54.955 54.840 0.039 0.000 0.821 444 L CB 0.590 42.669 42.059 0.034 0.000 1.101 444 L HN 0.162 nan 8.230 nan 0.000 0.488 445 S N -0.169 115.528 115.700 -0.005 0.000 2.593 445 S HA 0.090 4.566 4.470 0.010 0.000 0.269 445 S C 1.272 175.844 174.600 -0.048 0.000 1.334 445 S CA -0.003 58.181 58.200 -0.028 0.000 1.015 445 S CB 0.550 63.741 63.200 -0.016 0.000 0.912 445 S HN 0.675 nan 8.310 nan 0.000 0.541 446 S N 0.946 116.601 115.700 -0.075 0.000 2.440 446 S HA -0.144 4.332 4.470 0.010 0.000 0.238 446 S C 1.018 175.597 174.600 -0.035 0.000 1.010 446 S CA 1.188 59.338 58.200 -0.083 0.000 0.972 446 S CB -0.695 62.449 63.200 -0.094 0.000 0.774 446 S HN 0.832 nan 8.310 nan 0.000 0.501 447 E N 1.132 121.319 120.200 -0.021 0.000 2.442 447 E HA 0.179 4.535 4.350 0.010 0.000 0.195 447 E C 0.288 176.889 176.600 0.002 0.000 1.030 447 E CA 0.157 56.553 56.400 -0.007 0.000 0.869 447 E CB -0.197 29.500 29.700 -0.005 0.000 0.857 447 E HN 0.374 nan 8.360 nan 0.000 0.505 448 T N 1.925 116.481 114.554 0.003 0.000 2.928 448 T HA 0.092 4.448 4.350 0.010 0.000 0.305 448 T C 0.297 175.009 174.700 0.020 0.000 1.035 448 T CA 0.211 62.319 62.100 0.013 0.000 1.145 448 T CB 0.512 69.389 68.868 0.015 0.000 0.963 448 T HN 0.223 nan 8.240 nan 0.000 0.545 449 T N 0.750 115.317 114.554 0.021 0.000 2.817 449 T HA 0.570 4.926 4.350 0.010 0.000 0.293 449 T C -0.367 174.354 174.700 0.036 0.000 0.964 449 T CA -0.820 61.296 62.100 0.027 0.000 1.085 449 T CB 0.650 69.530 68.868 0.019 0.000 0.921 449 T HN 0.266 nan 8.240 nan 0.000 0.502 450 V N 4.021 123.963 119.914 0.046 0.000 2.482 450 V HA 0.525 4.651 4.120 0.010 0.000 0.295 450 V C -0.517 175.618 176.094 0.069 0.000 1.026 450 V CA -0.947 61.386 62.300 0.056 0.000 0.856 450 V CB 1.528 33.386 31.823 0.058 0.000 1.001 450 V HN 0.982 nan 8.190 nan 0.000 0.424 451 N N 4.630 123.382 118.700 0.086 0.000 2.483 451 N HA 0.483 5.229 4.740 0.010 0.000 0.267 451 N C -0.154 175.438 175.510 0.137 0.000 0.998 451 N CA -0.471 52.646 53.050 0.112 0.000 0.918 451 N CB 1.798 40.373 38.487 0.147 0.000 1.215 451 N HN 0.635 nan 8.380 nan 0.000 0.500 452 L N 1.506 122.801 121.223 0.121 0.000 2.728 452 L HA 0.315 4.661 4.340 0.010 0.000 0.238 452 L C 0.397 177.340 176.870 0.121 0.000 1.143 452 L CA -0.156 54.753 54.840 0.115 0.000 0.937 452 L CB 0.051 42.172 42.059 0.104 0.000 1.225 452 L HN 0.389 nan 8.230 nan 0.000 0.507 453 E N 0.977 121.242 120.200 0.108 0.000 2.459 453 E HA 0.150 4.506 4.350 0.010 0.000 0.264 453 E C 0.969 177.620 176.600 0.086 0.000 1.055 453 E CA 0.711 57.140 56.400 0.048 0.000 0.957 453 E CB 0.230 29.899 29.700 -0.052 0.000 0.952 453 E HN 0.287 nan 8.360 nan 0.000 0.448 454 G N 2.377 111.198 108.800 0.035 0.000 2.333 454 G HA2 -0.302 3.664 3.960 0.010 0.000 0.296 454 G HA3 -0.302 3.664 3.960 0.010 0.000 0.296 454 G C -0.711 174.219 174.900 0.050 0.000 1.059 454 G CA 0.301 45.426 45.100 0.042 0.000 1.050 454 G HN 0.538 nan 8.290 nan 0.000 0.508 455 N N 0.016 118.739 118.700 0.039 0.000 2.249 455 N HA 0.579 5.325 4.740 0.010 0.000 0.296 455 N C -2.449 173.072 175.510 0.019 0.000 1.051 455 N CA -1.765 51.303 53.050 0.029 0.000 0.815 455 N CB 2.686 41.194 38.487 0.033 0.000 1.487 455 N HN -0.033 nan 8.380 nan 0.000 0.475 456 P HA 0.063 nan 4.420 nan 0.000 0.235 456 P C -0.733 176.570 177.300 0.005 0.000 1.765 456 P CA 0.085 63.191 63.100 0.009 0.000 1.034 456 P CB -0.210 31.495 31.700 0.009 0.000 1.984 457 L N 1.014 122.239 121.223 0.004 0.000 2.455 457 L HA 0.098 4.444 4.340 0.010 0.000 0.272 457 L C 1.570 178.433 176.870 -0.013 0.000 1.174 457 L CA -0.283 54.553 54.840 -0.007 0.000 0.869 457 L CB 0.059 42.108 42.059 -0.016 0.000 1.130 457 L HN 0.232 nan 8.230 nan 0.000 0.474 458 S N 1.608 117.299 115.700 -0.016 0.000 2.572 458 S HA 0.001 4.477 4.470 0.010 0.000 0.267 458 S C 0.924 175.510 174.600 -0.024 0.000 1.361 458 S CA -0.337 57.854 58.200 -0.014 0.000 1.009 458 S CB 0.762 63.954 63.200 -0.014 0.000 0.888 458 S HN 0.713 nan 8.310 nan 0.000 0.553 459 E N 0.721 120.911 120.200 -0.016 0.000 2.058 459 E HA -0.198 4.158 4.350 0.010 0.000 0.194 459 E C 2.192 178.769 176.600 -0.038 0.000 0.997 459 E CA 1.252 57.640 56.400 -0.020 0.000 0.801 459 E CB -0.198 29.498 29.700 -0.008 0.000 0.746 459 E HN 0.604 nan 8.360 nan 0.000 0.450 460 R N 0.894 121.374 120.500 -0.033 0.000 2.075 460 R HA -0.072 4.274 4.340 0.010 0.000 0.232 460 R C 2.159 178.425 176.300 -0.056 0.000 1.126 460 R CA 1.818 57.893 56.100 -0.041 0.000 0.963 460 R CB -1.014 29.268 30.300 -0.030 0.000 0.858 460 R HN 0.091 nan 8.270 nan 0.000 0.435 461 T N 1.349 115.871 114.554 -0.054 0.000 2.635 461 T HA -0.148 4.208 4.350 0.010 0.000 0.267 461 T C 1.687 176.325 174.700 -0.104 0.000 1.040 461 T CA 1.565 63.625 62.100 -0.067 0.000 1.156 461 T CB -0.252 68.584 68.868 -0.052 0.000 0.863 461 T HN 0.137 nan 8.240 nan 0.000 0.430 462 L N 0.608 121.761 121.223 -0.117 0.000 2.093 462 L HA -0.109 4.237 4.340 0.010 0.000 0.208 462 L C 2.846 179.600 176.870 -0.192 0.000 1.085 462 L CA 1.415 56.141 54.840 -0.189 0.000 0.755 462 L CB -0.598 41.356 42.059 -0.175 0.000 0.904 462 L HN 0.431 nan 8.230 nan 0.000 0.435 463 Q N -0.167 119.556 119.800 -0.129 0.000 2.002 463 Q HA -0.242 4.104 4.340 0.010 0.000 0.204 463 Q C 2.244 178.171 176.000 -0.121 0.000 0.988 463 Q CA 2.125 57.860 55.803 -0.113 0.000 0.843 463 Q CB -0.055 28.638 28.738 -0.075 0.000 0.908 463 Q HN 0.514 nan 8.270 nan 0.000 0.420 464 A N 0.804 123.560 122.820 -0.106 0.000 1.908 464 A HA -0.197 4.129 4.320 0.010 0.000 0.218 464 A C 2.099 179.602 177.584 -0.136 0.000 1.181 464 A CA 1.301 53.278 52.037 -0.100 0.000 0.627 464 A CB -0.853 18.101 19.000 -0.077 0.000 0.818 464 A HN 0.486 nan 8.150 nan 0.000 0.445 465 L N -1.351 119.773 121.223 -0.166 0.000 2.012 465 L HA -0.223 4.123 4.340 0.010 0.000 0.210 465 L C 2.873 179.585 176.870 -0.263 0.000 1.073 465 L CA 1.932 56.642 54.840 -0.218 0.000 0.748 465 L CB -0.370 41.538 42.059 -0.252 0.000 0.891 465 L HN 0.441 nan 8.230 nan 0.000 0.431 466 R N -0.128 120.219 120.500 -0.255 0.000 2.096 466 R HA -0.193 4.153 4.340 0.010 0.000 0.235 466 R C 2.132 178.312 176.300 -0.201 0.000 1.127 466 R CA 1.522 57.477 56.100 -0.241 0.000 0.968 466 R CB -0.011 30.162 30.300 -0.212 0.000 0.861 466 R HN 0.409 nan 8.270 nan 0.000 0.440 467 E N -0.056 120.045 120.200 -0.166 0.000 2.031 467 E HA -0.198 4.158 4.350 0.010 0.000 0.193 467 E C 1.961 178.469 176.600 -0.154 0.000 0.994 467 E CA 1.572 57.892 56.400 -0.132 0.000 0.800 467 E CB -0.058 29.583 29.700 -0.099 0.000 0.752 467 E HN 0.331 nan 8.360 nan 0.000 0.447 468 I N 0.856 121.314 120.570 -0.187 0.000 2.163 468 I HA -0.254 3.922 4.170 0.010 0.000 0.240 468 I C 2.782 178.646 176.117 -0.421 0.000 1.081 468 I CA 1.620 62.797 61.300 -0.204 0.000 1.353 468 I CB -0.494 37.407 38.000 -0.165 0.000 1.054 468 I HN 0.222 nan 8.210 nan 0.000 0.407 469 T N -2.781 111.366 114.554 -0.679 0.000 2.881 469 T HA -0.101 4.255 4.350 0.010 0.000 0.270 469 T C 1.843 176.224 174.700 -0.531 0.000 1.068 469 T CA 1.522 62.936 62.100 -1.142 0.000 1.131 469 T CB -0.374 68.015 68.868 -0.799 0.000 0.871 469 T HN 0.151 nan 8.240 nan 0.000 0.479 470 S N 1.178 116.701 115.700 -0.295 0.000 2.496 470 S HA 0.521 4.997 4.470 0.010 0.000 0.224 470 S C 1.297 175.850 174.600 -0.079 0.000 0.996 470 S CA 0.090 58.201 58.200 -0.148 0.000 0.927 470 S CB -0.394 62.734 63.200 -0.121 0.000 0.774 470 S HN 0.887 nan 8.310 nan 0.000 0.524 471 A N 2.954 125.731 122.820 -0.072 0.000 2.483 471 A HA 0.400 4.726 4.320 0.010 0.000 0.238 471 A C -2.419 175.189 177.584 0.040 0.000 1.070 471 A CA -0.878 51.154 52.037 -0.007 0.000 0.770 471 A CB -0.354 18.652 19.000 0.009 0.000 1.008 471 A HN 0.137 nan 8.150 nan 0.000 0.497 472 P HA 0.438 nan 4.420 nan 0.000 0.278 472 P C 0.879 178.213 177.300 0.057 0.000 1.238 472 P CA 1.048 64.174 63.100 0.043 0.000 0.794 472 P CB 1.028 32.742 31.700 0.024 0.000 0.955 473 G N 0.713 109.549 108.800 0.060 0.000 2.205 473 G HA2 -0.311 3.655 3.960 0.010 0.000 0.261 473 G HA3 -0.311 3.655 3.960 0.010 0.000 0.261 473 G C -0.001 174.940 174.900 0.069 0.000 0.980 473 G CA -0.142 44.987 45.100 0.048 0.000 0.632 473 G HN 0.603 nan 8.290 nan 0.000 0.533 474 Y N 2.426 122.717 120.300 -0.016 0.000 2.805 474 Y HA 0.305 4.861 4.550 0.010 0.000 0.331 474 Y C 1.324 177.214 175.900 -0.017 0.000 1.241 474 Y CA 0.599 58.685 58.100 -0.023 0.000 1.546 474 Y CB 0.733 39.174 38.460 -0.031 0.000 1.248 474 Y HN 0.528 nan 8.280 nan 0.000 0.559 475 S N 2.901 118.211 115.700 -0.650 0.000 2.937 475 S HA 0.413 4.889 4.470 0.010 0.000 0.252 475 S C 0.584 174.795 174.600 -0.648 0.000 1.022 475 S CA -0.149 57.754 58.200 -0.495 0.000 1.079 475 S CB -0.221 62.850 63.200 -0.215 0.000 1.035 475 S HN 0.877 nan 8.310 nan 0.000 0.594 476 G N 2.436 110.450 108.800 -1.310 0.000 2.509 476 G HA2 0.618 4.584 3.960 0.010 0.000 0.269 476 G HA3 0.618 4.584 3.960 0.010 0.000 0.269 476 G C -2.876 171.808 174.900 -0.361 0.000 1.416 476 G CA -1.786 42.889 45.100 -0.707 0.000 1.052 476 G HN 0.294 nan 8.290 nan 0.000 0.542 477 P HA 0.241 nan 4.420 nan 0.000 0.274 477 P C -0.139 177.262 177.300 0.168 0.000 1.237 477 P CA -0.222 62.910 63.100 0.053 0.000 0.793 477 P CB 1.050 32.786 31.700 0.061 0.000 0.977 478 I N 2.037 122.675 120.570 0.113 0.000 2.533 478 I HA 0.149 4.325 4.170 0.010 0.000 0.284 478 I C 0.680 176.856 176.117 0.098 0.000 1.109 478 I CA 0.096 61.467 61.300 0.118 0.000 1.412 478 I CB -0.109 37.937 38.000 0.076 0.000 1.396 478 I HN 0.091 nan 8.210 nan 0.000 0.543 479 I N 7.097 127.726 120.570 0.098 0.000 2.355 479 I HA 0.361 4.537 4.170 0.010 0.000 0.288 479 I C 0.068 176.264 176.117 0.132 0.000 0.999 479 I CA -0.673 60.681 61.300 0.091 0.000 1.163 479 I CB 1.122 39.154 38.000 0.055 0.000 1.316 479 I HN 0.522 nan 8.210 nan 0.000 0.454 480 R N 6.418 126.987 120.500 0.117 0.000 2.349 480 R HA 0.647 4.993 4.340 0.010 0.000 0.299 480 R C -0.829 175.578 176.300 0.178 0.000 1.027 480 R CA -0.323 55.841 56.100 0.107 0.000 0.958 480 R CB 1.275 31.591 30.300 0.028 0.000 1.047 480 R HN 0.568 nan 8.270 nan 0.000 0.468 481 F N -0.398 119.524 119.950 -0.047 0.000 2.692 481 F HA 0.636 5.169 4.527 0.010 0.000 0.320 481 F C -1.328 174.424 175.800 -0.080 0.000 1.123 481 F CA -1.088 56.877 58.000 -0.058 0.000 0.961 481 F CB 1.673 40.634 39.000 -0.066 0.000 1.383 481 F HN 0.527 nan 8.300 nan 0.000 0.483 482 D N 0.182 120.400 120.400 -0.303 0.000 2.895 482 D HA 0.309 4.955 4.640 0.010 0.000 0.320 482 D C -0.474 175.680 176.300 -0.243 0.000 1.249 482 D CA -0.625 53.080 54.000 -0.492 0.000 0.997 482 D CB 0.802 41.406 40.800 -0.325 0.000 1.430 482 D HN 0.497 nan 8.370 nan 0.000 0.558 483 M N 0.057 119.426 119.600 -0.385 0.000 2.405 483 M HA 0.383 4.869 4.480 0.010 0.000 0.292 483 M C 1.258 177.380 176.300 -0.296 0.000 1.111 483 M CA -0.169 54.855 55.300 -0.461 0.000 0.979 483 M CB 0.045 31.905 32.600 -1.233 0.000 1.426 483 M HN 0.635 nan 8.290 nan 0.000 0.509 484 A N 0.754 123.475 122.820 -0.165 0.000 2.019 484 A HA 0.319 4.645 4.320 0.010 0.000 0.219 484 A C 1.517 179.083 177.584 -0.029 0.000 1.164 484 A CA 1.419 53.415 52.037 -0.069 0.000 0.644 484 A CB -0.704 18.269 19.000 -0.043 0.000 0.805 484 A HN 0.587 nan 8.150 nan 0.000 0.449 485 G N -1.660 107.123 108.800 -0.028 0.000 2.645 485 G HA2 0.191 4.157 3.960 0.010 0.000 0.246 485 G HA3 0.191 4.157 3.960 0.010 0.000 0.246 485 G C 0.469 175.375 174.900 0.009 0.000 1.322 485 G CA 0.068 45.167 45.100 -0.002 0.000 0.898 485 G HN 1.702 nan 8.290 nan 0.000 0.573 492 T N 3.494 118.034 114.554 -0.024 0.000 2.738 492 T HA 0.303 4.659 4.350 0.010 0.000 0.294 492 T C 0.094 174.772 174.700 -0.037 0.000 0.914 492 T CA 0.000 62.084 62.100 -0.028 0.000 1.052 492 T CB 0.392 69.252 68.868 -0.014 0.000 0.897 492 T HN 0.049 nan 8.240 nan 0.000 0.522 493 R N 1.712 122.177 120.500 -0.058 0.000 2.707 493 R HA 0.503 4.849 4.340 0.010 0.000 0.270 493 R C 0.669 176.913 176.300 -0.094 0.000 1.083 493 R CA -0.716 55.334 56.100 -0.084 0.000 1.182 493 R CB 0.415 30.648 30.300 -0.112 0.000 1.084 493 R HN 0.662 nan 8.270 nan 0.000 0.528 494 A N 2.020 124.754 122.820 -0.143 0.000 2.548 494 A HA -0.048 4.278 4.320 0.010 0.000 0.247 494 A C 1.281 178.733 177.584 -0.220 0.000 1.067 494 A CA -0.264 51.669 52.037 -0.174 0.000 0.757 494 A CB 0.063 18.890 19.000 -0.288 0.000 0.996 494 A HN 0.751 nan 8.150 nan 0.000 0.504 495 L N 3.363 124.561 121.223 -0.042 0.000 2.103 495 L HA -0.280 4.066 4.340 0.010 0.000 0.215 495 L C 2.551 179.438 176.870 0.027 0.000 1.080 495 L CA 2.963 57.829 54.840 0.043 0.000 0.764 495 L CB -0.751 41.435 42.059 0.212 0.000 0.890 495 L HN 0.950 nan 8.230 nan 0.000 0.435 496 H N -1.760 117.315 119.070 0.009 0.000 2.457 496 H HA -0.091 4.471 4.556 0.010 0.000 0.294 496 H C 2.015 177.278 175.328 -0.108 0.000 1.064 496 H CA 1.471 57.467 56.048 -0.088 0.000 1.330 496 H CB -0.438 29.042 29.762 -0.469 0.000 1.395 496 H HN 0.462 nan 8.280 nan 0.000 0.541 497 L N 0.902 121.818 121.223 -0.511 0.000 2.023 497 L HA 0.007 4.353 4.340 0.010 0.000 0.205 497 L C 3.272 180.038 176.870 -0.174 0.000 1.073 497 L CA 0.903 55.569 54.840 -0.290 0.000 0.745 497 L CB -0.640 41.223 42.059 -0.327 0.000 0.900 497 L HN 0.300 nan 8.230 nan 0.000 0.435 498 A N 0.460 123.181 122.820 -0.165 0.000 1.892 498 A HA -0.241 4.085 4.320 0.010 0.000 0.218 498 A C 2.514 180.059 177.584 -0.064 0.000 1.188 498 A CA 2.202 54.176 52.037 -0.105 0.000 0.631 498 A CB -0.819 18.123 19.000 -0.097 0.000 0.822 498 A HN 0.422 nan 8.150 nan 0.000 0.447 499 A N -0.474 122.253 122.820 -0.155 0.000 1.897 499 A HA 0.258 4.584 4.320 0.010 0.000 0.215 499 A C 2.495 179.971 177.584 -0.180 0.000 1.181 499 A CA 1.813 53.663 52.037 -0.311 0.000 0.620 499 A CB -1.013 17.467 19.000 -0.866 0.000 0.821 499 A HN 1.140 nan 8.150 nan 0.000 0.443 500 A N 0.269 123.022 122.820 -0.113 0.000 1.986 500 A HA -0.229 4.097 4.320 0.010 0.000 0.220 500 A C 1.651 179.197 177.584 -0.064 0.000 1.171 500 A CA 2.001 54.010 52.037 -0.046 0.000 0.640 500 A CB -0.626 18.376 19.000 0.004 0.000 0.811 500 A HN 0.455 nan 8.150 nan 0.000 0.451 501 D N -1.645 118.678 120.400 -0.128 0.000 2.218 501 D HA -0.146 4.500 4.640 0.010 0.000 0.204 501 D C 1.490 177.591 176.300 -0.331 0.000 0.976 501 D CA 1.024 54.862 54.000 -0.270 0.000 0.853 501 D CB -0.218 40.335 40.800 -0.412 0.000 0.939 501 D HN 0.806 nan 8.370 nan 0.000 0.481 502 W N 0.303 121.533 121.300 -0.117 0.000 2.630 502 W HA 0.261 4.927 4.660 0.011 0.000 0.275 502 W C 0.486 176.976 176.519 -0.048 0.000 1.192 502 W CA -0.446 56.850 57.345 -0.082 0.000 1.410 502 W CB -0.159 29.232 29.460 -0.115 0.000 1.075 502 W HN -0.229 nan 8.180 nan 0.000 0.581 503 L N 1.665 122.971 121.223 0.139 0.000 2.499 503 L HA 0.040 4.386 4.340 0.010 0.000 0.273 503 L C 0.562 177.489 176.870 0.095 0.000 1.195 503 L CA -0.322 54.580 54.840 0.104 0.000 0.882 503 L CB 0.115 42.212 42.059 0.063 0.000 1.133 503 L HN -0.293 nan 8.230 nan 0.000 0.483 504 V N 6.009 125.986 119.914 0.106 0.000 2.614 504 V HA 0.296 4.422 4.120 0.010 0.000 0.291 504 V C -1.424 174.716 176.094 0.077 0.000 1.049 504 V CA -1.020 61.331 62.300 0.086 0.000 1.038 504 V CB 0.839 32.715 31.823 0.089 0.000 0.980 504 V HN 0.755 nan 8.190 nan 0.000 0.481 515 D N 1.196 121.744 120.400 0.247 0.000 2.126 515 D HA -0.197 4.449 4.640 0.010 0.000 0.190 515 D C 1.997 178.358 176.300 0.101 0.000 1.001 515 D CA 1.615 55.736 54.000 0.202 0.000 0.841 515 D CB -0.172 40.661 40.800 0.056 0.000 0.949 515 D HN 0.486 nan 8.370 nan 0.000 0.446 516 R N -0.366 120.087 120.500 -0.078 0.000 2.139 516 R HA -0.178 4.168 4.340 0.010 0.000 0.243 516 R C 2.255 177.984 176.300 -0.952 0.000 1.145 516 R CA 0.951 56.718 56.100 -0.555 0.000 0.976 516 R CB -0.769 29.161 30.300 -0.617 0.000 0.866 516 R HN 0.407 nan 8.270 nan 0.000 0.449 517 W N 0.173 121.267 121.300 -0.342 0.000 2.800 517 W HA 0.043 4.709 4.660 0.010 0.000 0.249 517 W C 2.183 178.654 176.519 -0.081 0.000 1.294 517 W CA 0.220 57.469 57.345 -0.161 0.000 1.402 517 W CB -0.266 29.241 29.460 0.078 0.000 1.126 517 W HN 0.193 nan 8.180 nan 0.000 0.652 518 H N -0.466 118.633 119.070 0.048 0.000 2.267 518 H HA -0.184 4.378 4.556 0.010 0.000 0.297 518 H C 2.238 177.563 175.328 -0.006 0.000 1.080 518 H CA 1.751 57.801 56.048 0.005 0.000 1.278 518 H CB -0.534 29.143 29.762 -0.141 0.000 1.365 518 H HN 0.065 nan 8.280 nan 0.000 0.489 519 M N 0.160 119.747 119.600 -0.020 0.000 2.117 519 M HA -0.151 4.335 4.480 0.010 0.000 0.262 519 M C 2.411 178.772 176.300 0.101 0.000 1.065 519 M CA 1.332 56.611 55.300 -0.035 0.000 1.114 519 M CB -0.919 31.587 32.600 -0.157 0.000 1.361 519 M HN 0.205 nan 8.290 nan 0.000 0.408 520 F N -0.393 119.568 119.950 0.018 0.000 2.269 520 F HA -0.124 4.409 4.527 0.011 0.000 0.301 520 F C 2.450 178.382 175.800 0.219 0.000 1.082 520 F CA 0.384 58.417 58.000 0.055 0.000 1.360 520 F CB -0.989 37.972 39.000 -0.065 0.000 1.041 520 F HN 0.278 nan 8.300 nan 0.000 0.512 521 G N -0.191 108.829 108.800 0.367 0.000 2.475 521 G HA2 -0.283 3.683 3.960 0.010 0.000 0.220 521 G HA3 -0.283 3.683 3.960 0.010 0.000 0.220 521 G C 1.349 176.380 174.900 0.218 0.000 1.125 521 G CA 0.775 46.045 45.100 0.284 0.000 0.755 521 G HN 0.282 nan 8.290 nan 0.000 0.565 522 Q N 0.203 120.120 119.800 0.195 0.000 2.392 522 Q HA 0.177 4.523 4.340 0.010 0.000 0.203 522 Q C 0.383 176.467 176.000 0.140 0.000 0.917 522 Q CA 0.064 55.953 55.803 0.143 0.000 0.939 522 Q CB 0.441 29.244 28.738 0.108 0.000 1.063 522 Q HN 0.590 nan 8.270 nan 0.000 0.516 523 E N 1.502 121.815 120.200 0.188 0.000 2.180 523 E HA 0.098 4.454 4.350 0.010 0.000 0.283 523 E C -0.874 175.835 176.600 0.181 0.000 1.061 523 E CA -0.474 56.014 56.400 0.146 0.000 0.861 523 E CB 0.292 30.052 29.700 0.100 0.000 1.056 523 E HN 0.085 nan 8.360 nan 0.000 0.407 524 D N 3.077 123.546 120.400 0.115 0.000 5.835 524 D HA -0.253 4.393 4.640 0.010 0.000 0.096 524 D C -0.118 176.288 176.300 0.177 0.000 0.957 524 D CA 1.511 55.576 54.000 0.109 0.000 0.635 524 D CB -0.165 40.669 40.800 0.057 0.000 1.290 524 D HN 0.695 nan 8.370 nan 0.000 0.714 525 N N 0.395 119.175 118.700 0.134 0.000 2.765 525 N HA -0.355 4.391 4.740 0.010 0.000 0.248 525 N C 1.032 176.596 175.510 0.089 0.000 1.063 525 N CA 0.767 53.893 53.050 0.127 0.000 0.862 525 N CB -0.802 37.773 38.487 0.147 0.000 1.145 525 N HN 0.493 nan 8.380 nan 0.000 0.581 526 A N 0.276 123.163 122.820 0.112 0.000 1.940 526 A HA -0.222 4.104 4.320 0.010 0.000 0.219 526 A C 1.890 179.434 177.584 -0.065 0.000 1.176 526 A CA 1.946 53.948 52.037 -0.058 0.000 0.631 526 A CB -0.206 18.892 19.000 0.163 0.000 0.814 526 A HN 0.352 nan 8.150 nan 0.000 0.446 527 D N 0.107 120.512 120.400 0.009 0.000 2.084 527 D HA -0.096 4.550 4.640 0.010 0.000 0.194 527 D C 2.360 178.659 176.300 -0.002 0.000 0.990 527 D CA 1.614 55.618 54.000 0.007 0.000 0.826 527 D CB -0.581 40.231 40.800 0.021 0.000 0.971 527 D HN 0.388 nan 8.370 nan 0.000 0.453 528 A N 0.699 123.526 122.820 0.012 0.000 1.896 528 A HA -0.257 4.069 4.320 0.010 0.000 0.220 528 A C 2.201 179.812 177.584 0.046 0.000 1.206 528 A CA 1.635 53.687 52.037 0.025 0.000 0.647 528 A CB -1.220 17.800 19.000 0.034 0.000 0.828 528 A HN 0.276 nan 8.150 nan 0.000 0.455 529 F N 0.436 120.274 119.950 -0.187 0.000 2.234 529 F HA -0.072 4.461 4.527 0.010 0.000 0.299 529 F C 2.792 178.525 175.800 -0.112 0.000 1.087 529 F CA 1.421 59.285 58.000 -0.228 0.000 1.340 529 F CB -0.357 38.204 39.000 -0.732 0.000 1.031 529 F HN 0.252 nan 8.300 nan 0.000 0.500 530 S N 0.174 115.826 115.700 -0.081 0.000 2.356 530 S HA -0.162 4.314 4.470 0.010 0.000 0.223 530 S C 2.175 176.712 174.600 -0.105 0.000 1.032 530 S CA 1.256 59.397 58.200 -0.100 0.000 1.005 530 S CB -0.687 62.484 63.200 -0.047 0.000 0.867 530 S HN 0.354 nan 8.310 nan 0.000 0.449 531 L N 0.717 121.905 121.223 -0.058 0.000 2.012 531 L HA -0.077 4.269 4.340 0.010 0.000 0.210 531 L C 2.153 178.994 176.870 -0.048 0.000 1.073 531 L CA 2.118 56.932 54.840 -0.043 0.000 0.748 531 L CB -1.549 40.502 42.059 -0.014 0.000 0.891 531 L HN 0.505 nan 8.230 nan 0.000 0.431 532 F N 0.381 120.209 119.950 -0.203 0.000 2.091 532 F HA -0.292 4.242 4.527 0.011 0.000 0.299 532 F C 2.368 178.014 175.800 -0.257 0.000 1.103 532 F CA 1.779 59.639 58.000 -0.233 0.000 1.228 532 F CB -0.271 38.554 39.000 -0.291 0.000 0.984 532 F HN 0.028 nan 8.300 nan 0.000 0.477 533 L N -0.194 120.851 121.223 -0.297 0.000 2.093 533 L HA -0.211 4.135 4.340 0.010 0.000 0.208 533 L C 2.119 179.000 176.870 0.018 0.000 1.085 533 L CA 1.267 55.953 54.840 -0.257 0.000 0.755 533 L CB -0.788 41.117 42.059 -0.257 0.000 0.904 533 L HN 0.102 nan 8.230 nan 0.000 0.435 534 D N -0.220 120.143 120.400 -0.061 0.000 2.117 534 D HA -0.126 4.520 4.640 0.010 0.000 0.198 534 D C 2.344 178.587 176.300 -0.095 0.000 0.982 534 D CA 0.840 54.799 54.000 -0.067 0.000 0.828 534 D CB -0.115 40.632 40.800 -0.088 0.000 0.967 534 D HN 0.123 nan 8.370 nan 0.000 0.464 535 R N 0.240 120.657 120.500 -0.138 0.000 2.127 535 R HA -0.087 4.259 4.340 0.010 0.000 0.238 535 R C 2.079 178.285 176.300 -0.158 0.000 1.134 535 R CA 0.235 56.244 56.100 -0.151 0.000 0.975 535 R CB -0.717 29.482 30.300 -0.167 0.000 0.865 535 R HN 0.218 nan 8.270 nan 0.000 0.447 536 L N 1.341 122.448 121.223 -0.193 0.000 2.201 536 L HA -0.063 4.283 4.340 0.010 0.000 0.212 536 L C 2.009 179.041 176.870 0.270 0.000 1.105 536 L CA 1.607 56.410 54.840 -0.061 0.000 0.775 536 L CB -0.669 41.230 42.059 -0.267 0.000 0.913 536 L HN 0.156 nan 8.230 nan 0.000 0.440 537 S N -2.029 113.755 115.700 0.139 0.000 2.607 537 S HA 0.002 4.478 4.470 0.010 0.000 0.224 537 S C 0.976 175.392 174.600 -0.307 0.000 0.969 537 S CA 0.259 58.189 58.200 -0.451 0.000 0.927 537 S CB -0.379 62.287 63.200 -0.890 0.000 0.772 537 S HN 0.584 nan 8.310 nan 0.000 0.533 538 E N 1.809 121.975 120.200 -0.057 0.000 2.789 538 E HA 0.142 4.498 4.350 0.010 0.000 0.208 538 E C -0.210 176.413 176.600 0.038 0.000 0.988 538 E CA -0.171 56.234 56.400 0.008 0.000 1.092 538 E CB 0.878 30.562 29.700 -0.026 0.000 1.066 538 E HN 0.670 nan 8.360 nan 0.000 0.465 539 T N -2.627 111.969 114.554 0.071 0.000 2.940 539 T HA 0.260 4.616 4.350 0.010 0.000 0.288 539 T C 0.997 175.674 174.700 -0.038 0.000 1.033 539 T CA -0.754 61.340 62.100 -0.010 0.000 1.033 539 T CB 2.329 71.160 68.868 -0.061 0.000 1.079 539 T HN -0.163 nan 8.240 nan 0.000 0.496 540 E N 1.134 121.265 120.200 -0.115 0.000 2.118 540 E HA -0.162 4.193 4.350 0.010 0.000 0.195 540 E C 1.783 178.255 176.600 -0.212 0.000 0.992 540 E CA 1.869 58.182 56.400 -0.146 0.000 0.804 540 E CB -0.551 29.052 29.700 -0.163 0.000 0.741 540 E HN 0.771 nan 8.360 nan 0.000 0.458 541 N N -1.180 117.307 118.700 -0.356 0.000 2.069 541 N HA -0.161 4.585 4.740 0.010 0.000 0.191 541 N C 1.512 176.685 175.510 -0.562 0.000 1.031 541 N CA 1.219 53.890 53.050 -0.630 0.000 0.852 541 N CB -0.301 37.376 38.487 -1.350 0.000 1.018 541 N HN 0.150 nan 8.380 nan 0.000 0.423 542 F N 1.743 121.379 119.950 -0.523 0.000 2.069 542 F HA -0.115 4.418 4.527 0.010 0.000 0.298 542 F C 1.876 177.653 175.800 -0.039 0.000 1.113 542 F CA 1.268 59.237 58.000 -0.051 0.000 1.214 542 F CB -0.388 38.706 39.000 0.157 0.000 0.978 542 F HN -0.018 nan 8.300 nan 0.000 0.474 543 I N 0.299 120.770 120.570 -0.165 0.000 2.151 543 I HA -0.337 3.839 4.170 0.010 0.000 0.243 543 I C 1.925 177.905 176.117 -0.228 0.000 1.080 543 I CA 1.599 62.772 61.300 -0.211 0.000 1.339 543 I CB -0.448 37.505 38.000 -0.079 0.000 1.039 543 I HN 0.103 nan 8.210 nan 0.000 0.409 544 K N -0.565 119.720 120.400 -0.191 0.000 2.353 544 K HA 0.133 4.459 4.320 0.010 0.000 0.195 544 K C -0.075 176.451 176.600 -0.123 0.000 1.031 544 K CA 0.255 56.455 56.287 -0.146 0.000 1.079 544 K CB 0.250 32.675 32.500 -0.123 0.000 0.857 544 K HN 0.134 nan 8.250 nan 0.000 0.535 545 D N 0.569 120.894 120.400 -0.126 0.000 2.454 545 D HA 0.307 4.953 4.640 0.010 0.000 0.247 545 D C 0.584 176.888 176.300 0.006 0.000 1.129 545 D CA -0.306 53.672 54.000 -0.037 0.000 0.877 545 D CB 1.493 42.294 40.800 0.002 0.000 1.082 545 D HN -0.006 nan 8.370 nan 0.000 0.537 546 A N 2.760 125.570 122.820 -0.018 0.000 2.024 546 A HA -0.007 4.319 4.320 0.010 0.000 0.220 546 A C 1.942 179.567 177.584 0.069 0.000 1.164 546 A CA 1.597 53.627 52.037 -0.012 0.000 0.643 546 A CB -0.450 18.536 19.000 -0.023 0.000 0.806 546 A HN 0.582 nan 8.150 nan 0.000 0.451 547 G N -2.160 106.700 108.800 0.101 0.000 2.679 547 G HA2 -0.065 3.901 3.960 0.010 0.000 0.212 547 G HA3 -0.065 3.901 3.960 0.010 0.000 0.212 547 G C 1.170 176.201 174.900 0.218 0.000 1.137 547 G CA 0.699 45.881 45.100 0.136 0.000 0.787 547 G HN 0.454 nan 8.290 nan 0.000 0.534 548 F N 1.161 121.180 119.950 0.116 0.000 2.234 548 F HA 0.100 4.632 4.527 0.010 0.000 0.299 548 F C 2.430 178.429 175.800 0.332 0.000 1.087 548 F CA 1.381 59.496 58.000 0.192 0.000 1.340 548 F CB 0.078 39.210 39.000 0.220 0.000 1.031 548 F HN 0.121 nan 8.300 nan 0.000 0.500 549 K N -0.042 120.621 120.400 0.438 0.000 2.097 549 K HA -0.125 4.201 4.320 0.010 0.000 0.206 549 K C 2.139 178.906 176.600 0.277 0.000 1.049 549 K CA 1.137 57.719 56.287 0.491 0.000 0.933 549 K CB -0.264 32.474 32.500 0.397 0.000 0.717 549 K HN 0.297 nan 8.250 nan 0.000 0.442 550 A N 1.367 124.294 122.820 0.177 0.000 1.930 550 A HA -0.182 4.144 4.320 0.010 0.000 0.215 550 A C 2.016 179.655 177.584 0.093 0.000 1.176 550 A CA 1.296 53.412 52.037 0.131 0.000 0.632 550 A CB -0.473 18.593 19.000 0.110 0.000 0.819 550 A HN 0.601 nan 8.150 nan 0.000 0.445 551 Q N -0.469 119.356 119.800 0.042 0.000 2.119 551 Q HA -0.114 4.232 4.340 0.010 0.000 0.201 551 Q C 1.632 177.620 176.000 -0.021 0.000 0.972 551 Q CA 1.583 57.389 55.803 0.006 0.000 0.847 551 Q CB -0.318 28.407 28.738 -0.022 0.000 0.903 551 Q HN 0.426 nan 8.270 nan 0.000 0.433 552 I N 1.281 121.756 120.570 -0.158 0.000 2.315 552 I HA -0.167 4.009 4.170 0.010 0.000 0.248 552 I C 2.496 178.682 176.117 0.115 0.000 1.117 552 I CA 1.202 62.423 61.300 -0.133 0.000 1.404 552 I CB -1.292 36.291 38.000 -0.696 0.000 1.071 552 I HN 0.354 nan 8.210 nan 0.000 0.419 553 S N 0.502 116.280 115.700 0.129 0.000 2.356 553 S HA -0.157 4.319 4.470 0.010 0.000 0.223 553 S C 2.319 177.016 174.600 0.162 0.000 1.032 553 S CA 1.974 60.268 58.200 0.156 0.000 1.005 553 S CB -0.055 63.242 63.200 0.163 0.000 0.867 553 S HN 0.431 nan 8.310 nan 0.000 0.449 554 S N 0.151 115.949 115.700 0.163 0.000 2.359 554 S HA -0.149 4.327 4.470 0.010 0.000 0.224 554 S C 1.245 175.979 174.600 0.223 0.000 1.035 554 S CA 1.508 59.810 58.200 0.170 0.000 1.018 554 S CB -0.609 62.682 63.200 0.152 0.000 0.876 554 S HN 0.834 nan 8.310 nan 0.000 0.448 555 W N 2.345 123.671 121.300 0.043 0.000 2.381 555 W HA 0.015 4.680 4.660 0.009 0.000 0.301 555 W C 1.656 178.248 176.519 0.121 0.000 1.205 555 W CA 0.821 58.200 57.345 0.056 0.000 1.285 555 W CB -0.642 28.828 29.460 0.016 0.000 1.133 555 W HN 0.173 nan 8.180 nan 0.000 0.521 556 L N 0.743 121.977 121.223 0.018 0.000 2.079 556 L HA -0.227 4.119 4.340 0.010 0.000 0.210 556 L C 2.652 179.654 176.870 0.220 0.000 1.081 556 L CA 1.533 56.360 54.840 -0.022 0.000 0.752 556 L CB -1.305 40.727 42.059 -0.045 0.000 0.896 556 L HN 0.139 nan 8.230 nan 0.000 0.433 557 A N -0.645 122.288 122.820 0.189 0.000 1.969 557 A HA -0.219 4.107 4.320 0.010 0.000 0.218 557 A C 2.176 179.820 177.584 0.100 0.000 1.169 557 A CA 1.285 53.436 52.037 0.190 0.000 0.635 557 A CB -0.313 18.783 19.000 0.161 0.000 0.810 557 A HN 0.453 nan 8.150 nan 0.000 0.445 558 Q N -0.995 118.840 119.800 0.058 0.000 2.119 558 Q HA -0.060 4.286 4.340 0.010 0.000 0.201 558 Q C 1.840 177.781 176.000 -0.098 0.000 0.972 558 Q CA 1.064 56.873 55.803 0.010 0.000 0.847 558 Q CB -0.233 28.546 28.738 0.067 0.000 0.903 558 Q HN 0.486 nan 8.270 nan 0.000 0.433 559 L N 0.288 121.400 121.223 -0.186 0.000 2.083 559 L HA -0.135 4.211 4.340 0.010 0.000 0.209 559 L C 2.180 178.814 176.870 -0.394 0.000 1.083 559 L CA 1.805 56.441 54.840 -0.339 0.000 0.752 559 L CB -0.935 40.882 42.059 -0.404 0.000 0.899 559 L HN 0.175 nan 8.230 nan 0.000 0.433 560 A N -1.144 121.566 122.820 -0.182 0.000 2.015 560 A HA -0.163 4.163 4.320 0.010 0.000 0.219 560 A C 1.972 179.467 177.584 -0.149 0.000 1.163 560 A CA 1.347 53.271 52.037 -0.188 0.000 0.646 560 A CB -0.396 18.691 19.000 0.146 0.000 0.806 560 A HN 0.521 nan 8.150 nan 0.000 0.448 561 E N -0.569 119.559 120.200 -0.120 0.000 2.463 561 E HA 0.070 4.426 4.350 0.010 0.000 0.193 561 E C -0.735 175.787 176.600 -0.131 0.000 1.041 561 E CA -0.029 56.318 56.400 -0.088 0.000 0.879 561 E CB 0.379 30.059 29.700 -0.034 0.000 0.997 561 E HN 0.361 nan 8.360 nan 0.000 0.478 562 D N 0.524 120.786 120.400 -0.230 0.000 2.365 562 D HA -0.020 4.626 4.640 0.010 0.000 0.235 562 D C 0.151 176.244 176.300 -0.345 0.000 1.368 562 D CA -0.090 53.780 54.000 -0.216 0.000 1.001 562 D CB 0.975 41.679 40.800 -0.160 0.000 1.364 562 D HN 0.052 nan 8.370 nan 0.000 0.577 563 E N 2.726 122.745 120.200 -0.300 0.000 2.107 563 E HA -0.115 4.241 4.350 0.010 0.000 0.191 563 E C 1.496 177.884 176.600 -0.354 0.000 0.982 563 E CA 1.066 57.241 56.400 -0.375 0.000 0.809 563 E CB 0.275 29.820 29.700 -0.258 0.000 0.756 563 E HN 0.408 nan 8.360 nan 0.000 0.459 564 A N 1.478 124.156 122.820 -0.237 0.000 1.865 564 A HA -0.180 4.146 4.320 0.010 0.000 0.217 564 A C 2.184 179.587 177.584 -0.301 0.000 1.191 564 A CA 1.509 53.436 52.037 -0.184 0.000 0.623 564 A CB -0.805 18.185 19.000 -0.016 0.000 0.826 564 A HN 0.402 nan 8.150 nan 0.000 0.444 565 L N -0.241 120.690 121.223 -0.487 0.000 2.017 565 L HA -0.102 4.244 4.340 0.010 0.000 0.208 565 L C 2.455 179.020 176.870 -0.508 0.000 1.073 565 L CA 2.441 56.901 54.840 -0.634 0.000 0.745 565 L CB -0.726 40.837 42.059 -0.826 0.000 0.894 565 L HN 0.475 nan 8.230 nan 0.000 0.432 566 R N -0.617 119.511 120.500 -0.620 0.000 2.083 566 R HA -0.190 4.156 4.340 0.010 0.000 0.237 566 R C 2.200 177.924 176.300 -0.960 0.000 1.137 566 R CA 1.592 57.152 56.100 -0.900 0.000 0.951 566 R CB -0.480 29.133 30.300 -1.145 0.000 0.851 566 R HN 0.519 nan 8.270 nan 0.000 0.434 567 A N 1.252 123.662 122.820 -0.683 0.000 1.883 567 A HA -0.217 4.109 4.320 0.010 0.000 0.217 567 A C 1.816 179.245 177.584 -0.258 0.000 1.186 567 A CA 1.864 53.632 52.037 -0.448 0.000 0.624 567 A CB -0.673 18.149 19.000 -0.297 0.000 0.822 567 A HN 0.438 nan 8.150 nan 0.000 0.444 568 N N -0.445 118.118 118.700 -0.229 0.000 2.188 568 N HA -0.094 4.652 4.740 0.010 0.000 0.184 568 N C 1.746 177.212 175.510 -0.074 0.000 1.018 568 N CA 1.862 54.841 53.050 -0.117 0.000 0.858 568 N CB -0.734 37.694 38.487 -0.098 0.000 0.989 568 N HN 0.529 nan 8.380 nan 0.000 0.426 569 T N 1.228 115.701 114.554 -0.135 0.000 2.737 569 T HA -0.033 4.323 4.350 0.010 0.000 0.265 569 T C 1.637 176.366 174.700 0.048 0.000 1.038 569 T CA 0.702 62.776 62.100 -0.044 0.000 1.144 569 T CB -0.297 68.500 68.868 -0.119 0.000 0.866 569 T HN 0.052 nan 8.240 nan 0.000 0.434 570 F N 1.990 121.730 119.950 -0.351 0.000 2.095 570 F HA 0.015 4.548 4.527 0.009 0.000 0.298 570 F C 2.760 178.531 175.800 -0.050 0.000 1.104 570 F CA 0.255 58.122 58.000 -0.222 0.000 1.232 570 F CB -1.476 37.386 39.000 -0.230 0.000 0.987 570 F HN 0.161 nan 8.300 nan 0.000 0.475 571 A N -0.342 122.562 122.820 0.139 0.000 1.940 571 A HA -0.223 4.103 4.320 0.010 0.000 0.219 571 A C 2.302 179.921 177.584 0.058 0.000 1.176 571 A CA 1.749 53.832 52.037 0.076 0.000 0.631 571 A CB -0.795 18.227 19.000 0.038 0.000 0.814 571 A HN 0.367 nan 8.150 nan 0.000 0.446 572 M N -0.643 118.995 119.600 0.064 0.000 2.229 572 M HA -0.096 4.390 4.480 0.010 0.000 0.264 572 M C 2.302 178.595 176.300 -0.013 0.000 1.063 572 M CA 1.131 56.474 55.300 0.071 0.000 1.114 572 M CB -0.333 32.328 32.600 0.102 0.000 1.387 572 M HN 0.454 nan 8.290 nan 0.000 0.420 573 A N -0.133 122.668 122.820 -0.033 0.000 2.225 573 A HA -0.107 4.218 4.320 0.010 0.000 0.215 573 A C 2.007 179.536 177.584 -0.091 0.000 1.164 573 A CA 1.578 53.549 52.037 -0.110 0.000 0.710 573 A CB -1.028 17.986 19.000 0.023 0.000 0.780 573 A HN 0.442 nan 8.150 nan 0.000 0.473 574 T N 0.867 115.375 114.554 -0.077 0.000 2.759 574 T HA -0.096 4.260 4.350 0.010 0.000 0.269 574 T C 0.675 175.285 174.700 -0.150 0.000 1.042 574 T CA 1.447 63.503 62.100 -0.074 0.000 1.140 574 T CB -0.188 68.664 68.868 -0.026 0.000 0.864 574 T HN 0.742 nan 8.240 nan 0.000 0.455 575 E N 0.135 120.143 120.200 -0.320 0.000 2.207 575 E HA 0.624 4.980 4.350 0.010 0.000 0.270 575 E C -0.083 176.027 176.600 -0.816 0.000 0.927 575 E CA -0.630 55.450 56.400 -0.534 0.000 0.799 575 E CB 1.934 31.221 29.700 -0.688 0.000 1.172 575 E HN 0.115 nan 8.360 nan 0.000 0.404 576 A N 1.613 124.137 122.820 -0.492 0.000 2.308 576 A HA 0.066 4.391 4.320 0.010 0.000 0.217 576 A C 1.407 178.963 177.584 -0.046 0.000 1.216 576 A CA 0.039 51.897 52.037 -0.298 0.000 0.864 576 A CB -0.075 19.128 19.000 0.339 0.000 0.902 576 A HN 0.503 nan 8.150 nan 0.000 0.499 577 T N 0.109 114.632 114.554 -0.051 0.000 3.113 577 T HA -0.002 4.354 4.350 0.010 0.000 0.256 577 T C 1.647 176.331 174.700 -0.028 0.000 1.131 577 T CA 1.206 63.301 62.100 -0.007 0.000 1.074 577 T CB -0.157 68.716 68.868 0.009 0.000 0.944 577 T HN 0.468 nan 8.240 nan 0.000 0.516 578 S N 0.630 116.294 115.700 -0.061 0.000 2.555 578 S HA 0.143 4.619 4.470 0.010 0.000 0.230 578 S C 1.065 175.647 174.600 -0.030 0.000 0.978 578 S CA 0.004 58.173 58.200 -0.051 0.000 0.934 578 S CB 0.064 63.212 63.200 -0.085 0.000 0.766 578 S HN 0.363 nan 8.310 nan 0.000 0.533 579 S N -1.136 114.556 115.700 -0.012 0.000 3.576 579 S HA 0.432 4.908 4.470 0.010 0.000 0.321 579 S C -0.187 174.421 174.600 0.014 0.000 1.174 579 S CA -0.225 57.969 58.200 -0.010 0.000 1.102 579 S CB 0.282 63.474 63.200 -0.013 0.000 1.467 579 S HN 0.535 nan 8.310 nan 0.000 0.701 580 C N 0.833 120.145 119.300 0.020 0.000 2.517 580 C HA 0.617 5.083 4.460 0.010 0.000 0.357 580 C C 1.960 177.025 174.990 0.124 0.000 1.485 580 C CA 0.011 59.075 59.018 0.077 0.000 2.148 580 C CB -0.363 27.410 27.740 0.056 0.000 2.019 580 C HN 1.036 nan 8.230 nan 0.000 0.576 581 E N 0.325 120.630 120.200 0.176 0.000 2.086 581 E HA -0.285 4.071 4.350 0.010 0.000 0.200 581 E C 1.454 178.122 176.600 0.114 0.000 1.012 581 E CA 2.516 58.987 56.400 0.118 0.000 0.812 581 E CB -0.192 29.585 29.700 0.127 0.000 0.743 581 E HN 0.728 nan 8.360 nan 0.000 0.453 582 D N -0.669 119.851 120.400 0.200 0.000 2.219 582 D HA -0.132 4.514 4.640 0.010 0.000 0.205 582 D C 1.928 178.319 176.300 0.151 0.000 0.970 582 D CA 0.678 54.772 54.000 0.158 0.000 0.851 582 D CB -0.225 40.718 40.800 0.238 0.000 0.943 582 D HN 0.165 nan 8.370 nan 0.000 0.488 583 R N 0.549 121.150 120.500 0.168 0.000 2.092 583 R HA -0.076 4.270 4.340 0.010 0.000 0.231 583 R C 1.873 178.415 176.300 0.404 0.000 1.119 583 R CA 0.856 57.118 56.100 0.271 0.000 0.970 583 R CB -0.169 30.256 30.300 0.208 0.000 0.864 583 R HN -0.016 nan 8.270 nan 0.000 0.440 584 V N 0.692 120.750 119.914 0.240 0.000 2.287 584 V HA -0.245 3.881 4.120 0.010 0.000 0.248 584 V C 2.188 178.403 176.094 0.200 0.000 1.053 584 V CA 2.370 64.802 62.300 0.220 0.000 1.027 584 V CB -0.620 31.186 31.823 -0.029 0.000 0.646 584 V HN 0.477 nan 8.190 nan 0.000 0.447 585 T N -0.043 114.542 114.554 0.053 0.000 2.746 585 T HA -0.180 4.176 4.350 0.010 0.000 0.267 585 T C 1.675 176.140 174.700 -0.392 0.000 1.039 585 T CA 1.877 63.901 62.100 -0.126 0.000 1.142 585 T CB -0.397 68.394 68.868 -0.129 0.000 0.866 585 T HN 0.448 nan 8.240 nan 0.000 0.444 586 F N 1.244 120.982 119.950 -0.354 0.000 2.095 586 F HA -0.087 4.445 4.527 0.009 0.000 0.298 586 F C 1.681 177.231 175.800 -0.417 0.000 1.104 586 F CA 1.149 58.874 58.000 -0.459 0.000 1.232 586 F CB -0.597 38.190 39.000 -0.356 0.000 0.987 586 F HN 0.118 nan 8.300 nan 0.000 0.475 587 F N -0.473 119.403 119.950 -0.123 0.000 2.269 587 F HA -0.159 4.374 4.527 0.009 0.000 0.301 587 F C 2.128 177.835 175.800 -0.155 0.000 1.082 587 F CA 0.889 58.797 58.000 -0.154 0.000 1.360 587 F CB -0.755 38.291 39.000 0.076 0.000 1.041 587 F HN 0.065 nan 8.300 nan 0.000 0.512 588 L N -0.141 121.147 121.223 0.108 0.000 2.046 588 L HA -0.235 4.111 4.340 0.010 0.000 0.208 588 L C 2.307 179.101 176.870 -0.128 0.000 1.077 588 L CA 2.066 56.937 54.840 0.051 0.000 0.747 588 L CB -1.028 41.072 42.059 0.068 0.000 0.896 588 L HN 0.226 nan 8.230 nan 0.000 0.432 589 H N -1.595 117.291 119.070 -0.306 0.000 2.353 589 H HA -0.142 4.420 4.556 0.010 0.000 0.300 589 H C 2.053 177.123 175.328 -0.430 0.000 1.090 589 H CA 1.074 56.898 56.048 -0.374 0.000 1.327 589 H CB 0.203 29.695 29.762 -0.450 0.000 1.383 589 H HN 0.404 nan 8.280 nan 0.000 0.508 590 Q N 0.472 119.970 119.800 -0.503 0.000 2.119 590 Q HA -0.117 4.229 4.340 0.010 0.000 0.201 590 Q C 2.342 178.236 176.000 -0.176 0.000 0.972 590 Q CA 1.112 56.649 55.803 -0.442 0.000 0.847 590 Q CB -0.222 28.109 28.738 -0.680 0.000 0.903 590 Q HN 0.603 nan 8.270 nan 0.000 0.433 591 M N 0.305 119.834 119.600 -0.117 0.000 2.159 591 M HA -0.134 4.352 4.480 0.010 0.000 0.263 591 M C 1.893 178.205 176.300 0.019 0.000 1.063 591 M CA 1.210 56.519 55.300 0.016 0.000 1.110 591 M CB -0.154 32.513 32.600 0.112 0.000 1.374 591 M HN -0.037 nan 8.290 nan 0.000 0.411 592 K N 0.279 120.611 120.400 -0.113 0.000 2.103 592 K HA -0.066 4.260 4.320 0.010 0.000 0.204 592 K C 1.668 178.267 176.600 -0.002 0.000 1.052 592 K CA 0.984 57.206 56.287 -0.108 0.000 0.945 592 K CB -0.862 31.521 32.500 -0.195 0.000 0.722 592 K HN 0.330 nan 8.250 nan 0.000 0.443 593 N N 1.624 120.313 118.700 -0.017 0.000 2.069 593 N HA -0.143 4.603 4.740 0.010 0.000 0.191 593 N C 1.790 177.358 175.510 0.097 0.000 1.031 593 N CA 1.304 54.377 53.050 0.039 0.000 0.852 593 N CB -0.305 38.179 38.487 -0.005 0.000 1.018 593 N HN -0.115 nan 8.380 nan 0.000 0.423 594 V N 1.437 121.395 119.914 0.074 0.000 2.332 594 V HA -0.228 3.898 4.120 0.010 0.000 0.248 594 V C 2.704 178.879 176.094 0.135 0.000 1.055 594 V CA 2.142 64.500 62.300 0.097 0.000 1.038 594 V CB -0.725 31.137 31.823 0.065 0.000 0.651 594 V HN 0.497 nan 8.190 nan 0.000 0.450 595 Q N -0.536 119.349 119.800 0.142 0.000 2.084 595 Q HA -0.208 4.138 4.340 0.010 0.000 0.202 595 Q C 2.273 178.406 176.000 0.222 0.000 0.978 595 Q CA 1.875 57.784 55.803 0.176 0.000 0.844 595 Q CB -0.146 28.728 28.738 0.226 0.000 0.898 595 Q HN 0.619 nan 8.270 nan 0.000 0.426 596 L N -0.180 121.173 121.223 0.216 0.000 2.017 596 L HA -0.195 4.151 4.340 0.010 0.000 0.208 596 L C 2.485 179.544 176.870 0.315 0.000 1.073 596 L CA 0.916 55.927 54.840 0.285 0.000 0.745 596 L CB -0.506 41.707 42.059 0.257 0.000 0.894 596 L HN 0.137 nan 8.230 nan 0.000 0.432 597 V N -0.406 119.672 119.914 0.273 0.000 2.287 597 V HA -0.374 3.752 4.120 0.010 0.000 0.248 597 V C 2.469 178.626 176.094 0.105 0.000 1.053 597 V CA 2.344 64.769 62.300 0.209 0.000 1.027 597 V CB -0.781 31.154 31.823 0.186 0.000 0.646 597 V HN 0.553 nan 8.190 nan 0.000 0.447 598 H N 0.894 119.987 119.070 0.039 0.000 2.290 598 H HA -0.183 4.379 4.556 0.009 0.000 0.298 598 H C 2.270 177.566 175.328 -0.053 0.000 1.087 598 H CA 2.405 58.442 56.048 -0.018 0.000 1.291 598 H CB -0.131 29.621 29.762 -0.016 0.000 1.369 598 H HN 0.382 nan 8.280 nan 0.000 0.492 599 N N 0.430 119.146 118.700 0.027 0.000 2.069 599 N HA -0.172 4.574 4.740 0.010 0.000 0.191 599 N C 2.035 177.343 175.510 -0.336 0.000 1.031 599 N CA 1.464 54.407 53.050 -0.178 0.000 0.852 599 N CB -0.873 37.530 38.487 -0.139 0.000 1.018 599 N HN 0.569 nan 8.380 nan 0.000 0.423 600 A N 1.274 124.049 122.820 -0.075 0.000 1.865 600 A HA -0.180 4.146 4.320 0.010 0.000 0.217 600 A C 2.144 179.637 177.584 -0.152 0.000 1.191 600 A CA 1.671 53.729 52.037 0.035 0.000 0.623 600 A CB -0.723 18.386 19.000 0.182 0.000 0.826 600 A HN 0.362 nan 8.150 nan 0.000 0.444 601 E N -0.613 119.459 120.200 -0.214 0.000 2.038 601 E HA -0.233 4.123 4.350 0.010 0.000 0.195 601 E C 2.161 178.610 176.600 -0.252 0.000 1.000 601 E CA 1.536 57.790 56.400 -0.243 0.000 0.803 601 E CB -0.162 29.396 29.700 -0.237 0.000 0.750 601 E HN 0.579 nan 8.360 nan 0.000 0.448 602 K N -1.028 119.161 120.400 -0.351 0.000 2.152 602 K HA -0.151 4.175 4.320 0.010 0.000 0.206 602 K C 1.095 177.562 176.600 -0.222 0.000 1.048 602 K CA 1.233 57.322 56.287 -0.329 0.000 0.933 602 K CB 0.103 32.333 32.500 -0.451 0.000 0.721 602 K HN 0.330 nan 8.250 nan 0.000 0.447 603 G N -0.009 108.660 108.800 -0.218 0.000 2.198 603 G HA2 -0.221 3.745 3.960 0.010 0.000 0.156 603 G HA3 -0.221 3.745 3.960 0.010 0.000 0.156 603 G C 0.501 175.290 174.900 -0.185 0.000 1.012 603 G CA 0.299 45.304 45.100 -0.159 0.000 0.692 603 G HN 0.375 nan 8.290 nan 0.000 0.492 604 Q N -0.845 118.758 119.800 -0.328 0.000 2.234 604 Q HA -0.065 4.281 4.340 0.010 0.000 0.206 604 Q C 1.261 177.061 176.000 -0.334 0.000 0.980 604 Q CA 1.580 57.139 55.803 -0.408 0.000 0.869 604 Q CB -0.082 28.254 28.738 -0.669 0.000 0.912 604 Q HN 0.701 nan 8.270 nan 0.000 0.436 605 Y N -0.673 119.623 120.300 -0.006 0.000 2.636 605 Y HA 0.182 4.738 4.550 0.010 0.000 0.260 605 Y C 0.543 176.427 175.900 -0.028 0.000 1.177 605 Y CA -0.560 57.539 58.100 -0.003 0.000 1.209 605 Y CB 0.372 38.847 38.460 0.025 0.000 1.166 605 Y HN 0.087 nan 8.280 nan 0.000 0.531 606 D N 0.164 120.596 120.400 0.053 0.000 2.263 606 D HA -0.119 4.527 4.640 0.010 0.000 0.208 606 D C 0.949 177.258 176.300 0.014 0.000 0.971 606 D CA 1.256 55.268 54.000 0.020 0.000 0.867 606 D CB 0.048 40.842 40.800 -0.009 0.000 0.929 606 D HN 0.296 nan 8.370 nan 0.000 0.492 607 N N 0.135 118.853 118.700 0.029 0.000 2.235 607 N HA -0.000 4.746 4.740 0.010 0.000 0.231 607 N C -0.616 174.916 175.510 0.037 0.000 1.177 607 N CA 0.061 53.127 53.050 0.028 0.000 0.874 607 N CB 1.267 39.773 38.487 0.031 0.000 1.097 607 N HN -0.003 nan 8.380 nan 0.000 0.518 608 D N 0.848 121.273 120.400 0.041 0.000 2.468 608 D HA 0.230 4.876 4.640 0.010 0.000 0.272 608 D C 0.863 177.123 176.300 -0.067 0.000 1.221 608 D CA -0.297 53.724 54.000 0.035 0.000 0.860 608 D CB 0.264 41.138 40.800 0.123 0.000 1.190 608 D HN -0.054 nan 8.370 nan 0.000 0.509 609 L N 0.937 121.972 121.223 -0.314 0.000 2.291 609 L HA 0.064 4.410 4.340 0.010 0.000 0.214 609 L C 2.393 178.978 176.870 -0.474 0.000 1.120 609 L CA 0.940 55.440 54.840 -0.567 0.000 0.799 609 L CB -0.114 41.264 42.059 -1.134 0.000 0.925 609 L HN 0.314 nan 8.230 nan 0.000 0.446 610 A N 0.295 122.972 122.820 -0.238 0.000 1.930 610 A HA -0.127 4.199 4.320 0.010 0.000 0.217 610 A C 2.560 180.112 177.584 -0.053 0.000 1.175 610 A CA 1.562 53.634 52.037 0.058 0.000 0.627 610 A CB -0.540 18.570 19.000 0.184 0.000 0.815 610 A HN 0.367 nan 8.150 nan 0.000 0.443 611 A N -0.440 122.310 122.820 -0.118 0.000 1.933 611 A HA -0.023 4.303 4.320 0.010 0.000 0.218 611 A C 2.124 179.450 177.584 -0.430 0.000 1.175 611 A CA 1.660 53.514 52.037 -0.305 0.000 0.628 611 A CB -0.575 18.202 19.000 -0.371 0.000 0.814 611 A HN 0.695 nan 8.150 nan 0.000 0.444 612 L N -0.233 120.864 121.223 -0.209 0.000 2.046 612 L HA -0.097 4.249 4.340 0.010 0.000 0.208 612 L C 2.331 179.282 176.870 0.135 0.000 1.077 612 L CA 1.882 56.734 54.840 0.021 0.000 0.747 612 L CB -0.389 41.753 42.059 0.138 0.000 0.896 612 L HN 0.135 nan 8.230 nan 0.000 0.432 613 V N -0.053 119.904 119.914 0.072 0.000 2.453 613 V HA -0.211 3.915 4.120 0.010 0.000 0.247 613 V C 2.781 178.886 176.094 0.019 0.000 1.048 613 V CA 1.413 63.792 62.300 0.131 0.000 1.049 613 V CB -1.121 30.794 31.823 0.153 0.000 0.672 613 V HN 0.601 nan 8.190 nan 0.000 0.457 614 A N -0.034 122.752 122.820 -0.057 0.000 1.908 614 A HA -0.237 4.089 4.320 0.010 0.000 0.218 614 A C 2.396 179.916 177.584 -0.106 0.000 1.181 614 A CA 2.577 54.547 52.037 -0.111 0.000 0.627 614 A CB -0.952 17.980 19.000 -0.114 0.000 0.818 614 A HN 0.510 nan 8.150 nan 0.000 0.445 615 T N -0.304 114.206 114.554 -0.073 0.000 2.777 615 T HA -0.018 4.338 4.350 0.010 0.000 0.266 615 T C 1.982 176.669 174.700 -0.022 0.000 1.040 615 T CA 1.347 63.468 62.100 0.036 0.000 1.141 615 T CB -0.645 68.325 68.868 0.169 0.000 0.868 615 T HN 0.584 nan 8.240 nan 0.000 0.444 616 G N 1.691 110.373 108.800 -0.197 0.000 2.446 616 G HA2 -0.229 3.737 3.960 0.010 0.000 0.217 616 G HA3 -0.229 3.737 3.960 0.010 0.000 0.217 616 G C 1.718 176.507 174.900 -0.185 0.000 1.168 616 G CA 0.385 45.089 45.100 -0.660 0.000 0.771 616 G HN 0.416 nan 8.290 nan 0.000 0.551 617 R N 0.170 120.545 120.500 -0.208 0.000 2.096 617 R HA -0.046 4.300 4.340 0.010 0.000 0.235 617 R C 2.456 178.610 176.300 -0.243 0.000 1.127 617 R CA 1.341 57.163 56.100 -0.463 0.000 0.968 617 R CB -0.314 29.608 30.300 -0.630 0.000 0.861 617 R HN 0.535 nan 8.270 nan 0.000 0.440 618 E N 0.403 120.508 120.200 -0.159 0.000 2.072 618 E HA -0.169 4.187 4.350 0.010 0.000 0.191 618 E C 1.916 178.483 176.600 -0.055 0.000 0.985 618 E CA 1.008 57.354 56.400 -0.090 0.000 0.801 618 E CB 0.184 29.854 29.700 -0.051 0.000 0.750 618 E HN 0.123 nan 8.360 nan 0.000 0.452 619 M N -0.051 119.530 119.600 -0.031 0.000 2.132 619 M HA -0.103 4.383 4.480 0.010 0.000 0.263 619 M C 2.222 178.467 176.300 -0.090 0.000 1.065 619 M CA 1.169 56.497 55.300 0.048 0.000 1.122 619 M CB -1.151 31.600 32.600 0.253 0.000 1.365 619 M HN 0.203 nan 8.290 nan 0.000 0.411 620 F N 1.497 121.108 119.950 -0.565 0.000 2.095 620 F HA -0.233 4.300 4.527 0.010 0.000 0.298 620 F C 2.463 178.001 175.800 -0.437 0.000 1.104 620 F CA 1.772 59.237 58.000 -0.892 0.000 1.232 620 F CB -0.143 38.139 39.000 -1.197 0.000 0.987 620 F HN 0.039 nan 8.300 nan 0.000 0.475 621 R N 0.236 120.658 120.500 -0.131 0.000 2.066 621 R HA -0.102 4.244 4.340 0.010 0.000 0.232 621 R C 2.276 178.494 176.300 -0.136 0.000 1.131 621 R CA 1.770 57.800 56.100 -0.117 0.000 0.955 621 R CB -0.688 29.587 30.300 -0.042 0.000 0.851 621 R HN 0.354 nan 8.270 nan 0.000 0.432 622 L N -0.186 120.994 121.223 -0.071 0.000 2.012 622 L HA -0.150 4.196 4.340 0.010 0.000 0.210 622 L C 2.596 179.475 176.870 0.016 0.000 1.073 622 L CA 1.566 56.419 54.840 0.021 0.000 0.748 622 L CB -0.925 41.172 42.059 0.062 0.000 0.891 622 L HN 0.407 nan 8.230 nan 0.000 0.431 623 G N -0.344 108.412 108.800 -0.073 0.000 2.446 623 G HA2 -0.249 3.717 3.960 0.010 0.000 0.217 623 G HA3 -0.249 3.717 3.960 0.010 0.000 0.217 623 G C 1.714 176.478 174.900 -0.226 0.000 1.168 623 G CA 0.495 45.535 45.100 -0.100 0.000 0.771 623 G HN 0.117 nan 8.290 nan 0.000 0.551 624 K N 0.237 120.402 120.400 -0.392 0.000 2.057 624 K HA 0.071 4.397 4.320 0.010 0.000 0.207 624 K C 2.583 179.025 176.600 -0.264 0.000 1.049 624 K CA 0.602 56.667 56.287 -0.370 0.000 0.931 624 K CB -0.623 31.620 32.500 -0.429 0.000 0.714 624 K HN 0.369 nan 8.250 nan 0.000 0.440 625 L N 0.675 121.786 121.223 -0.187 0.000 2.083 625 L HA -0.188 4.158 4.340 0.010 0.000 0.209 625 L C 2.565 179.263 176.870 -0.288 0.000 1.083 625 L CA 1.286 56.020 54.840 -0.176 0.000 0.752 625 L CB -0.407 41.674 42.059 0.037 0.000 0.899 625 L HN 0.322 nan 8.230 nan 0.000 0.433 626 E N 0.198 120.251 120.200 -0.245 0.000 2.058 626 E HA -0.279 4.077 4.350 0.010 0.000 0.194 626 E C 2.164 178.406 176.600 -0.596 0.000 0.997 626 E CA 1.446 57.458 56.400 -0.646 0.000 0.801 626 E CB 0.027 29.496 29.700 -0.386 0.000 0.746 626 E HN 0.537 nan 8.360 nan 0.000 0.450 627 Q N 0.022 119.596 119.800 -0.376 0.000 2.079 627 Q HA -0.113 4.233 4.340 0.010 0.000 0.200 627 Q C 2.376 178.184 176.000 -0.320 0.000 0.974 627 Q CA 1.372 56.992 55.803 -0.305 0.000 0.840 627 Q CB -0.048 28.555 28.738 -0.225 0.000 0.898 627 Q HN 0.402 nan 8.270 nan 0.000 0.430 628 I N 0.651 120.998 120.570 -0.371 0.000 2.286 628 I HA -0.276 3.900 4.170 0.010 0.000 0.248 628 I C 2.318 178.126 176.117 -0.514 0.000 1.115 628 I CA 1.018 62.058 61.300 -0.433 0.000 1.392 628 I CB -0.253 37.425 38.000 -0.536 0.000 1.065 628 I HN 0.159 nan 8.210 nan 0.000 0.418 629 A N 0.438 122.913 122.820 -0.573 0.000 1.929 629 A HA -0.180 4.146 4.320 0.010 0.000 0.216 629 A C 2.419 179.866 177.584 -0.230 0.000 1.176 629 A CA 1.258 53.092 52.037 -0.339 0.000 0.628 629 A CB -0.512 18.322 19.000 -0.276 0.000 0.816 629 A HN 0.327 nan 8.150 nan 0.000 0.444 630 R N -0.441 119.860 120.500 -0.333 0.000 2.081 630 R HA -0.151 4.195 4.340 0.010 0.000 0.235 630 R C 1.941 178.156 176.300 -0.140 0.000 1.131 630 R CA 1.590 57.548 56.100 -0.236 0.000 0.960 630 R CB -0.181 29.958 30.300 -0.269 0.000 0.856 630 R HN 0.393 nan 8.270 nan 0.000 0.436 631 E N 0.871 120.984 120.200 -0.146 0.000 2.058 631 E HA -0.224 4.132 4.350 0.010 0.000 0.194 631 E C 1.811 178.385 176.600 -0.042 0.000 0.997 631 E CA 1.375 57.721 56.400 -0.091 0.000 0.801 631 E CB -0.137 29.502 29.700 -0.101 0.000 0.746 631 E HN 0.160 nan 8.360 nan 0.000 0.450 632 K N 0.702 121.090 120.400 -0.020 0.000 2.057 632 K HA -0.099 4.227 4.320 0.010 0.000 0.207 632 K C 2.068 178.695 176.600 0.046 0.000 1.049 632 K CA 1.072 57.398 56.287 0.064 0.000 0.931 632 K CB -0.462 32.167 32.500 0.215 0.000 0.714 632 K HN -0.062 nan 8.250 nan 0.000 0.440 633 V N 1.742 121.670 119.914 0.024 0.000 2.282 633 V HA -0.318 3.808 4.120 0.010 0.000 0.249 633 V C 2.250 178.348 176.094 0.006 0.000 1.057 633 V CA 2.361 64.667 62.300 0.010 0.000 1.032 633 V CB -0.564 31.247 31.823 -0.019 0.000 0.645 633 V HN 0.384 nan 8.190 nan 0.000 0.447 634 R N 0.421 120.916 120.500 -0.008 0.000 2.249 634 R HA -0.135 4.211 4.340 0.010 0.000 0.230 634 R C 2.138 178.445 176.300 0.011 0.000 1.121 634 R CA 1.689 57.787 56.100 -0.003 0.000 0.997 634 R CB -0.709 29.583 30.300 -0.014 0.000 0.867 634 R HN 0.762 nan 8.270 nan 0.000 0.465 635 T N -2.090 112.474 114.554 0.016 0.000 3.081 635 T HA 0.182 4.538 4.350 0.010 0.000 0.250 635 T C 0.720 175.437 174.700 0.028 0.000 1.100 635 T CA 0.045 62.158 62.100 0.022 0.000 1.038 635 T CB 0.143 69.025 68.868 0.023 0.000 0.962 635 T HN -0.018 nan 8.240 nan 0.000 0.516 636 L N 1.304 122.546 121.223 0.031 0.000 2.287 636 L HA 0.664 5.010 4.340 0.010 0.000 0.287 636 L C 1.321 178.217 176.870 0.044 0.000 1.022 636 L CA -0.869 53.990 54.840 0.032 0.000 0.814 636 L CB 1.528 43.609 42.059 0.037 0.000 1.217 636 L HN 0.149 nan 8.230 nan 0.000 0.420 637 A N 4.093 126.935 122.820 0.037 0.000 2.072 637 A HA 0.103 4.429 4.320 0.010 0.000 0.216 637 A C 0.383 177.983 177.584 0.026 0.000 1.156 637 A CA 0.630 52.705 52.037 0.064 0.000 0.701 637 A CB 0.134 19.194 19.000 0.100 0.000 0.816 637 A HN 0.463 nan 8.150 nan 0.000 0.458 638 L N 0.814 122.033 121.223 -0.007 0.000 2.343 638 L HA 0.599 4.945 4.340 0.010 0.000 0.278 638 L C -1.166 175.816 176.870 0.187 0.000 0.996 638 L CA -0.596 54.257 54.840 0.022 0.000 0.831 638 L CB 1.948 43.907 42.059 -0.166 0.000 1.232 638 L HN 0.021 nan 8.230 nan 0.000 0.413 639 V N 1.975 122.071 119.914 0.303 0.000 2.760 639 V HA 0.544 4.670 4.120 0.010 0.000 0.309 639 V C -1.166 174.919 176.094 -0.015 0.000 1.077 639 V CA -0.685 61.728 62.300 0.188 0.000 0.910 639 V CB 1.851 33.711 31.823 0.061 0.000 1.008 639 V HN 0.664 nan 8.190 nan 0.000 0.424 640 D N 2.730 122.976 120.400 -0.258 0.000 2.464 640 D HA 0.237 4.883 4.640 0.010 0.000 0.243 640 D C 1.163 177.337 176.300 -0.210 0.000 1.104 640 D CA -0.273 53.447 54.000 -0.467 0.000 0.883 640 D CB 1.589 41.892 40.800 -0.828 0.000 1.050 640 D HN 0.861 nan 8.370 nan 0.000 0.524 641 E N 3.761 123.879 120.200 -0.137 0.000 2.160 641 E HA -0.192 4.164 4.350 0.010 0.000 0.195 641 E C 1.264 177.825 176.600 -0.065 0.000 0.991 641 E CA 0.687 57.049 56.400 -0.064 0.000 0.810 641 E CB 0.073 29.750 29.700 -0.039 0.000 0.742 641 E HN 0.382 nan 8.360 nan 0.000 0.466 642 I N 1.387 121.864 120.570 -0.155 0.000 2.252 642 I HA -0.155 4.021 4.170 0.010 0.000 0.245 642 I C 2.307 178.299 176.117 -0.208 0.000 1.102 642 I CA 1.042 62.161 61.300 -0.303 0.000 1.385 642 I CB -0.979 36.809 38.000 -0.354 0.000 1.064 642 I HN 0.141 nan 8.210 nan 0.000 0.414 643 E N 1.106 121.230 120.200 -0.126 0.000 2.058 643 E HA -0.146 4.210 4.350 0.010 0.000 0.194 643 E C 2.466 179.093 176.600 0.045 0.000 0.997 643 E CA 0.949 57.331 56.400 -0.030 0.000 0.801 643 E CB -0.549 29.115 29.700 -0.060 0.000 0.746 643 E HN 0.270 nan 8.360 nan 0.000 0.450 644 V N 0.460 120.397 119.914 0.039 0.000 2.252 644 V HA -0.258 3.868 4.120 0.010 0.000 0.249 644 V C 2.108 178.383 176.094 0.302 0.000 1.056 644 V CA 2.042 64.415 62.300 0.122 0.000 1.022 644 V CB -0.634 31.260 31.823 0.119 0.000 0.641 644 V HN 0.386 nan 8.190 nan 0.000 0.445 645 W N 0.335 121.653 121.300 0.030 0.000 2.381 645 W HA -0.104 4.561 4.660 0.009 0.000 0.301 645 W C 2.249 178.887 176.519 0.198 0.000 1.205 645 W CA 1.598 59.006 57.345 0.105 0.000 1.285 645 W CB -0.801 28.579 29.460 -0.133 0.000 1.133 645 W HN 0.275 nan 8.180 nan 0.000 0.521 646 L N 1.934 123.328 121.223 0.285 0.000 2.012 646 L HA -0.104 4.242 4.340 0.010 0.000 0.210 646 L C 2.534 179.575 176.870 0.286 0.000 1.073 646 L CA 3.150 58.166 54.840 0.293 0.000 0.748 646 L CB -1.488 40.682 42.059 0.184 0.000 0.891 646 L HN -0.027 nan 8.230 nan 0.000 0.431 647 A N -1.151 121.814 122.820 0.243 0.000 1.903 647 A HA -0.303 4.023 4.320 0.010 0.000 0.219 647 A C 2.175 179.835 177.584 0.126 0.000 1.191 647 A CA 2.304 54.471 52.037 0.216 0.000 0.638 647 A CB -1.294 17.849 19.000 0.238 0.000 0.823 647 A HN 0.582 nan 8.150 nan 0.000 0.451 648 Y N 0.069 120.504 120.300 0.225 0.000 2.128 648 Y HA -0.259 4.298 4.550 0.010 0.000 0.284 648 Y C 2.833 178.819 175.900 0.143 0.000 1.154 648 Y CA 1.928 60.130 58.100 0.171 0.000 1.149 648 Y CB -0.603 37.959 38.460 0.171 0.000 0.976 648 Y HN 0.433 nan 8.280 nan 0.000 0.505 649 Q N -0.234 119.782 119.800 0.360 0.000 2.030 649 Q HA -0.244 4.102 4.340 0.010 0.000 0.204 649 Q C 2.238 178.294 176.000 0.094 0.000 0.986 649 Q CA 1.543 57.470 55.803 0.208 0.000 0.843 649 Q CB -0.461 28.415 28.738 0.230 0.000 0.904 649 Q HN 0.485 nan 8.270 nan 0.000 0.420 650 N N 0.589 119.360 118.700 0.119 0.000 2.043 650 N HA -0.177 4.569 4.740 0.010 0.000 0.193 650 N C 1.447 176.932 175.510 -0.042 0.000 1.037 650 N CA 1.196 54.270 53.050 0.041 0.000 0.851 650 N CB 0.146 38.667 38.487 0.057 0.000 1.027 650 N HN 0.046 nan 8.380 nan 0.000 0.422 651 K N 0.646 121.006 120.400 -0.068 0.000 2.296 651 K HA 0.086 4.412 4.320 0.010 0.000 0.200 651 K C 1.566 178.131 176.600 -0.058 0.000 1.048 651 K CA 0.277 56.482 56.287 -0.137 0.000 0.966 651 K CB 0.070 32.435 32.500 -0.225 0.000 0.754 651 K HN 0.361 nan 8.250 nan 0.000 0.466 652 L N 0.463 121.689 121.223 0.004 0.000 2.667 652 L HA 0.156 4.502 4.340 0.010 0.000 0.232 652 L C 2.083 178.948 176.870 -0.008 0.000 1.138 652 L CA -0.094 54.756 54.840 0.016 0.000 0.921 652 L CB 0.048 42.149 42.059 0.071 0.000 1.180 652 L HN 0.047 nan 8.230 nan 0.000 0.487 653 K N 1.211 121.594 120.400 -0.028 0.000 2.044 653 K HA -0.226 4.100 4.320 0.010 0.000 0.210 653 K C 1.868 178.439 176.600 -0.048 0.000 1.049 653 K CA 1.596 57.853 56.287 -0.050 0.000 0.927 653 K CB 0.174 32.633 32.500 -0.069 0.000 0.713 653 K HN 0.254 nan 8.250 nan 0.000 0.443 654 K N 0.195 120.568 120.400 -0.045 0.000 1.991 654 K HA -0.084 4.242 4.320 0.010 0.000 0.207 654 K C 2.322 178.899 176.600 -0.038 0.000 1.045 654 K CA 1.669 57.931 56.287 -0.041 0.000 0.937 654 K CB -0.195 32.280 32.500 -0.041 0.000 0.720 654 K HN 0.300 nan 8.250 nan 0.000 0.438 655 S N 0.982 116.662 115.700 -0.033 0.000 2.442 655 S HA -0.066 4.410 4.470 0.010 0.000 0.236 655 S C 1.702 176.282 174.600 -0.034 0.000 1.007 655 S CA 0.866 59.048 58.200 -0.030 0.000 0.965 655 S CB -0.224 62.964 63.200 -0.021 0.000 0.773 655 S HN 0.209 nan 8.310 nan 0.000 0.504 656 L N 0.864 122.066 121.223 -0.034 0.000 2.728 656 L HA 0.377 4.723 4.340 0.010 0.000 0.238 656 L C 1.396 178.231 176.870 -0.059 0.000 1.143 656 L CA 0.102 54.916 54.840 -0.043 0.000 0.937 656 L CB -0.308 41.734 42.059 -0.028 0.000 1.225 656 L HN 0.519 nan 8.230 nan 0.000 0.507 657 G N 1.614 110.380 108.800 -0.056 0.000 2.323 657 G HA2 -0.287 3.679 3.960 0.010 0.000 0.292 657 G HA3 -0.287 3.679 3.960 0.010 0.000 0.292 657 G C 0.195 175.056 174.900 -0.065 0.000 1.040 657 G CA -0.060 45.003 45.100 -0.062 0.000 0.942 657 G HN 0.331 nan 8.290 nan 0.000 0.506 658 L N 1.433 122.617 121.223 -0.066 0.000 2.384 658 L HA 0.201 4.547 4.340 0.010 0.000 0.258 658 L C 2.261 179.077 176.870 -0.090 0.000 1.266 658 L CA 0.174 54.966 54.840 -0.079 0.000 1.162 658 L CB -0.286 41.720 42.059 -0.088 0.000 1.375 658 L HN 0.474 nan 8.230 nan 0.000 0.420 659 T N -3.173 111.340 114.554 -0.068 0.000 2.822 659 T HA -0.200 4.156 4.350 0.010 0.000 0.270 659 T C 1.770 176.428 174.700 -0.070 0.000 1.064 659 T CA 1.607 63.674 62.100 -0.055 0.000 1.131 659 T CB -0.138 68.711 68.868 -0.032 0.000 0.858 659 T HN 0.613 nan 8.240 nan 0.000 0.483 660 S N -0.093 115.551 115.700 -0.093 0.000 2.558 660 S HA 0.296 4.771 4.470 0.010 0.000 0.217 660 S C 0.549 175.012 174.600 -0.230 0.000 0.975 660 S CA -0.537 57.593 58.200 -0.117 0.000 0.912 660 S CB -0.269 62.880 63.200 -0.084 0.000 0.776 660 S HN 0.377 nan 8.310 nan 0.000 0.526 661 V N 3.343 123.072 119.914 -0.308 0.000 2.539 661 V HA 0.459 4.585 4.120 0.010 0.000 0.292 661 V C 0.855 176.768 176.094 -0.302 0.000 1.045 661 V CA -0.485 61.434 62.300 -0.635 0.000 0.945 661 V CB 1.457 32.945 31.823 -0.559 0.000 0.993 661 V HN 0.610 nan 8.190 nan 0.000 0.464 662 T N 1.251 115.715 114.554 -0.151 0.000 2.874 662 T HA 0.195 4.551 4.350 0.010 0.000 0.281 662 T C 1.165 175.892 174.700 0.044 0.000 0.994 662 T CA -0.125 62.037 62.100 0.103 0.000 1.015 662 T CB 1.263 70.296 68.868 0.275 0.000 1.028 662 T HN 0.475 nan 8.240 nan 0.000 0.523 663 S N 0.606 116.318 115.700 0.021 0.000 2.428 663 S HA 0.027 4.503 4.470 0.010 0.000 0.230 663 S C 0.579 175.155 174.600 -0.040 0.000 1.014 663 S CA 0.726 58.914 58.200 -0.020 0.000 0.957 663 S CB -0.219 62.965 63.200 -0.026 0.000 0.784 663 S HN 0.690 nan 8.310 nan 0.000 0.499 664 E N 0.674 120.844 120.200 -0.050 0.000 2.256 664 E HA 0.586 4.942 4.350 0.010 0.000 0.267 664 E C -0.336 176.227 176.600 -0.061 0.000 0.892 664 E CA -0.469 55.881 56.400 -0.083 0.000 0.775 664 E CB 1.915 31.531 29.700 -0.139 0.000 1.207 664 E HN 0.370 nan 8.360 nan 0.000 0.420 665 M N -0.120 119.443 119.600 -0.062 0.000 2.520 665 M HA 0.554 5.040 4.480 0.010 0.000 0.283 665 M C -0.077 176.165 176.300 -0.096 0.000 1.237 665 M CA -0.870 54.404 55.300 -0.042 0.000 0.885 665 M CB 2.833 35.456 32.600 0.039 0.000 1.727 665 M HN 0.254 nan 8.290 nan 0.000 0.468 666 R N 1.343 121.735 120.500 -0.180 0.000 2.123 666 R HA 0.371 4.717 4.340 0.010 0.000 0.209 666 R C -0.125 175.900 176.300 -0.458 0.000 1.078 666 R CA 1.487 57.319 56.100 -0.447 0.000 1.028 666 R CB 0.127 29.947 30.300 -0.800 0.000 0.939 666 R HN 0.732 nan 8.270 nan 0.000 0.463 667 F N 0.182 120.175 119.950 0.072 0.000 2.923 667 F HA 0.262 4.795 4.527 0.010 0.000 0.314 667 F C 0.649 176.503 175.800 0.091 0.000 1.196 667 F CA -0.995 57.045 58.000 0.067 0.000 1.320 667 F CB -0.169 38.853 39.000 0.036 0.000 0.953 667 F HN -0.055 nan 8.300 nan 0.000 0.505 668 F N 2.403 122.407 119.950 0.090 0.000 2.161 668 F HA -0.269 4.264 4.527 0.010 0.000 0.300 668 F C 2.167 178.002 175.800 0.058 0.000 1.089 668 F CA 2.051 60.081 58.000 0.051 0.000 1.282 668 F CB -0.223 38.779 39.000 0.003 0.000 1.010 668 F HN 0.200 nan 8.300 nan 0.000 0.485 669 D N 0.299 120.681 120.400 -0.029 0.000 2.265 669 D HA -0.183 4.463 4.640 0.010 0.000 0.208 669 D C 1.760 177.986 176.300 -0.122 0.000 0.977 669 D CA 1.512 55.433 54.000 -0.130 0.000 0.871 669 D CB -1.297 39.509 40.800 0.011 0.000 0.925 669 D HN 0.368 nan 8.370 nan 0.000 0.485 670 V N -1.905 118.001 119.914 -0.014 0.000 3.578 670 V HA 0.195 4.321 4.120 0.010 0.000 0.290 670 V C 1.865 177.988 176.094 0.047 0.000 1.376 670 V CA 0.595 62.931 62.300 0.060 0.000 1.083 670 V CB -0.229 31.719 31.823 0.207 0.000 0.911 670 V HN 0.218 nan 8.190 nan 0.000 0.433 671 S N 0.817 116.456 115.700 -0.102 0.000 2.423 671 S HA 0.143 4.619 4.470 0.010 0.000 0.231 671 S C 1.999 176.540 174.600 -0.097 0.000 1.014 671 S CA 1.337 59.477 58.200 -0.100 0.000 0.965 671 S CB -0.564 62.558 63.200 -0.130 0.000 0.785 671 S HN 1.956 nan 8.310 nan 0.000 0.495 672 G N 0.035 108.741 108.800 -0.158 0.000 2.159 672 G HA2 -0.227 3.739 3.960 0.010 0.000 0.256 672 G HA3 -0.227 3.739 3.960 0.010 0.000 0.256 672 G C 0.020 174.833 174.900 -0.145 0.000 0.977 672 G CA 0.124 45.153 45.100 -0.118 0.000 0.652 672 G HN 0.775 nan 8.290 nan 0.000 0.531 673 V N 2.398 122.165 119.914 -0.244 0.000 2.383 673 V HA 0.627 4.752 4.120 0.010 0.000 0.275 673 V C 1.043 177.047 176.094 -0.150 0.000 1.036 673 V CA 0.177 62.356 62.300 -0.201 0.000 0.889 673 V CB 1.195 32.851 31.823 -0.279 0.000 0.985 673 V HN 0.651 nan 8.190 nan 0.000 0.459 674 T N 1.945 116.471 114.554 -0.048 0.000 2.881 674 T HA 0.420 4.776 4.350 0.010 0.000 0.278 674 T C 1.227 175.976 174.700 0.082 0.000 0.982 674 T CA -0.577 61.529 62.100 0.010 0.000 0.989 674 T CB 1.595 70.468 68.868 0.007 0.000 1.058 674 T HN 0.148 nan 8.240 nan 0.000 0.529 675 V N 0.894 120.864 119.914 0.093 0.000 2.407 675 V HA -0.162 3.964 4.120 0.010 0.000 0.248 675 V C 2.964 179.095 176.094 0.061 0.000 1.055 675 V CA 2.308 64.659 62.300 0.084 0.000 1.049 675 V CB -1.532 30.332 31.823 0.068 0.000 0.662 675 V HN 1.073 nan 8.190 nan 0.000 0.455 676 T N -0.323 114.262 114.554 0.051 0.000 2.821 676 T HA -0.170 4.186 4.350 0.010 0.000 0.267 676 T C 1.654 176.395 174.700 0.069 0.000 1.046 676 T CA 1.601 63.731 62.100 0.049 0.000 1.139 676 T CB -0.386 68.505 68.868 0.037 0.000 0.871 676 T HN 0.497 nan 8.240 nan 0.000 0.454 677 D N 1.224 121.672 120.400 0.080 0.000 2.104 677 D HA -0.042 4.604 4.640 0.010 0.000 0.194 677 D C 2.102 178.519 176.300 0.195 0.000 0.994 677 D CA 0.884 54.965 54.000 0.135 0.000 0.830 677 D CB -0.399 40.471 40.800 0.117 0.000 0.959 677 D HN 0.325 nan 8.370 nan 0.000 0.452 678 L N 0.287 121.590 121.223 0.132 0.000 2.093 678 L HA -0.154 4.191 4.340 0.010 0.000 0.208 678 L C 2.578 179.517 176.870 0.115 0.000 1.085 678 L CA 0.961 55.886 54.840 0.142 0.000 0.755 678 L CB -0.327 41.771 42.059 0.065 0.000 0.904 678 L HN 0.005 nan 8.230 nan 0.000 0.435 679 Q N -0.109 119.738 119.800 0.078 0.000 2.084 679 Q HA -0.218 4.128 4.340 0.010 0.000 0.202 679 Q C 1.795 177.829 176.000 0.055 0.000 0.978 679 Q CA 1.718 57.553 55.803 0.054 0.000 0.844 679 Q CB 0.006 28.768 28.738 0.040 0.000 0.898 679 Q HN 0.488 nan 8.270 nan 0.000 0.426 680 D N -0.002 120.438 120.400 0.067 0.000 2.144 680 D HA -0.105 4.541 4.640 0.010 0.000 0.200 680 D C 1.672 178.004 176.300 0.053 0.000 0.978 680 D CA 1.211 55.244 54.000 0.054 0.000 0.833 680 D CB -0.198 40.635 40.800 0.054 0.000 0.961 680 D HN 0.258 nan 8.370 nan 0.000 0.470 681 A N 1.044 123.920 122.820 0.093 0.000 1.898 681 A HA -0.204 4.122 4.320 0.010 0.000 0.216 681 A C 2.116 179.724 177.584 0.039 0.000 1.181 681 A CA 1.652 53.723 52.037 0.057 0.000 0.620 681 A CB -0.604 18.468 19.000 0.120 0.000 0.819 681 A HN 0.244 nan 8.150 nan 0.000 0.442 682 E N -0.087 120.149 120.200 0.060 0.000 2.070 682 E HA -0.223 4.133 4.350 0.010 0.000 0.197 682 E C 1.932 178.541 176.600 0.014 0.000 1.004 682 E CA 1.491 57.910 56.400 0.031 0.000 0.805 682 E CB -0.237 29.481 29.700 0.029 0.000 0.744 682 E HN 0.636 nan 8.360 nan 0.000 0.451 683 L N 0.302 121.535 121.223 0.017 0.000 2.027 683 L HA -0.217 4.129 4.340 0.010 0.000 0.206 683 L C 2.832 179.706 176.870 0.007 0.000 1.074 683 L CA 1.379 56.225 54.840 0.009 0.000 0.745 683 L CB -0.413 41.653 42.059 0.012 0.000 0.898 683 L HN 0.230 nan 8.230 nan 0.000 0.433 684 Q N -0.721 119.082 119.800 0.005 0.000 2.096 684 Q HA -0.192 4.154 4.340 0.010 0.000 0.204 684 Q C 2.313 178.317 176.000 0.007 0.000 0.982 684 Q CA 1.533 57.335 55.803 -0.001 0.000 0.850 684 Q CB -0.083 28.641 28.738 -0.022 0.000 0.901 684 Q HN 0.362 nan 8.270 nan 0.000 0.422 685 V N 0.863 120.778 119.914 0.001 0.000 2.379 685 V HA -0.219 3.907 4.120 0.010 0.000 0.245 685 V C 1.899 178.025 176.094 0.052 0.000 1.044 685 V CA 1.646 63.960 62.300 0.023 0.000 1.036 685 V CB -0.280 31.539 31.823 -0.008 0.000 0.664 685 V HN 0.276 nan 8.190 nan 0.000 0.453 686 K N 0.516 120.923 120.400 0.013 0.000 2.097 686 K HA -0.087 4.239 4.320 0.010 0.000 0.206 686 K C 2.266 178.860 176.600 -0.010 0.000 1.049 686 K CA 1.413 57.693 56.287 -0.012 0.000 0.933 686 K CB -0.388 32.097 32.500 -0.025 0.000 0.717 686 K HN 0.466 nan 8.250 nan 0.000 0.442 687 A N 1.634 124.459 122.820 0.008 0.000 1.873 687 A HA -0.090 4.236 4.320 0.010 0.000 0.215 687 A C 2.421 180.023 177.584 0.030 0.000 1.186 687 A CA 1.750 53.793 52.037 0.011 0.000 0.616 687 A CB -0.798 18.210 19.000 0.013 0.000 0.823 687 A HN 0.307 nan 8.150 nan 0.000 0.442 688 A N -0.152 122.712 122.820 0.074 0.000 1.908 688 A HA -0.222 4.104 4.320 0.010 0.000 0.218 688 A C 2.054 179.711 177.584 0.122 0.000 1.181 688 A CA 2.011 54.142 52.037 0.156 0.000 0.627 688 A CB -0.595 18.545 19.000 0.234 0.000 0.818 688 A HN 0.719 nan 8.150 nan 0.000 0.445 689 E N -0.164 120.053 120.200 0.027 0.000 2.047 689 E HA -0.237 4.119 4.350 0.010 0.000 0.191 689 E C 2.085 178.533 176.600 -0.252 0.000 0.987 689 E CA 1.470 57.638 56.400 -0.387 0.000 0.799 689 E CB -0.191 29.307 29.700 -0.337 0.000 0.752 689 E HN 0.599 nan 8.360 nan 0.000 0.449 690 K N 0.242 120.565 120.400 -0.127 0.000 2.044 690 K HA -0.192 4.134 4.320 0.010 0.000 0.210 690 K C 2.356 178.933 176.600 -0.039 0.000 1.049 690 K CA 1.761 58.002 56.287 -0.077 0.000 0.927 690 K CB -0.331 32.139 32.500 -0.050 0.000 0.713 690 K HN 0.092 nan 8.250 nan 0.000 0.443 691 S N -0.067 115.623 115.700 -0.016 0.000 2.387 691 S HA -0.091 4.385 4.470 0.010 0.000 0.226 691 S C 1.349 175.964 174.600 0.025 0.000 1.026 691 S CA 1.325 59.533 58.200 0.013 0.000 0.972 691 S CB -0.027 63.193 63.200 0.033 0.000 0.814 691 S HN 0.426 nan 8.310 nan 0.000 0.477 692 E N -1.065 119.141 120.200 0.011 0.000 2.465 692 E HA 0.168 4.524 4.350 0.010 0.000 0.209 692 E C 1.314 177.917 176.600 0.005 0.000 0.951 692 E CA -0.094 56.346 56.400 0.067 0.000 0.997 692 E CB -0.123 29.708 29.700 0.218 0.000 1.025 692 E HN 0.555 nan 8.360 nan 0.000 0.500 693 F N 2.454 122.199 119.950 -0.343 0.000 2.171 693 F HA -0.077 4.456 4.527 0.011 0.000 0.300 693 F C 2.238 178.009 175.800 -0.049 0.000 1.090 693 F CA 1.418 59.159 58.000 -0.432 0.000 1.293 693 F CB 0.160 38.773 39.000 -0.644 0.000 1.013 693 F HN -0.206 nan 8.300 nan 0.000 0.486 694 R N -0.021 120.454 120.500 -0.042 0.000 2.115 694 R HA -0.119 4.227 4.340 0.010 0.000 0.230 694 R C 2.096 178.346 176.300 -0.084 0.000 1.111 694 R CA 1.344 57.407 56.100 -0.062 0.000 0.976 694 R CB -0.133 30.186 30.300 0.033 0.000 0.870 694 R HN 0.250 nan 8.270 nan 0.000 0.445 695 E N -0.804 119.384 120.200 -0.020 0.000 2.122 695 E HA -0.176 4.180 4.350 0.010 0.000 0.190 695 E C 1.428 178.047 176.600 0.032 0.000 0.977 695 E CA 0.613 57.021 56.400 0.013 0.000 0.820 695 E CB -0.231 29.499 29.700 0.050 0.000 0.770 695 E HN 0.418 nan 8.360 nan 0.000 0.462 696 W N 1.581 122.790 121.300 -0.151 0.000 2.363 696 W HA -0.102 4.565 4.660 0.011 0.000 0.296 696 W C 1.948 178.371 176.519 -0.160 0.000 1.212 696 W CA 1.121 58.411 57.345 -0.091 0.000 1.260 696 W CB -0.223 29.245 29.460 0.014 0.000 1.131 696 W HN -0.024 nan 8.180 nan 0.000 0.530 697 I N 0.497 120.966 120.570 -0.168 0.000 2.614 697 I HA -0.263 3.913 4.170 0.010 0.000 0.258 697 I C 2.083 178.139 176.117 -0.100 0.000 1.189 697 I CA 0.966 62.124 61.300 -0.238 0.000 1.462 697 I CB -0.259 37.502 38.000 -0.399 0.000 1.092 697 I HN 0.060 nan 8.210 nan 0.000 0.442 698 L N 0.030 121.206 121.223 -0.079 0.000 2.127 698 L HA -0.243 4.103 4.340 0.010 0.000 0.211 698 L C 2.068 179.010 176.870 0.119 0.000 1.089 698 L CA 1.386 56.237 54.840 0.018 0.000 0.757 698 L CB -0.340 41.711 42.059 -0.013 0.000 0.899 698 L HN 0.370 nan 8.230 nan 0.000 0.434 699 Q N -1.780 117.965 119.800 -0.091 0.000 2.319 699 Q HA -0.064 4.282 4.340 0.010 0.000 0.202 699 Q C -0.035 175.712 176.000 -0.422 0.000 0.896 699 Q CA -0.266 55.435 55.803 -0.171 0.000 0.942 699 Q CB 0.306 28.929 28.738 -0.192 0.000 1.083 699 Q HN 0.329 nan 8.270 nan 0.000 0.510 700 W N 1.582 122.448 121.300 -0.723 0.000 2.368 700 W HA 0.213 4.878 4.660 0.010 0.000 0.316 700 W C 1.242 177.411 176.519 -0.583 0.000 1.375 700 W CA 0.033 56.941 57.345 -0.728 0.000 1.261 700 W CB 0.529 29.549 29.460 -0.733 0.000 1.298 700 W HN 0.122 nan 8.180 nan 0.000 0.539 701 G N 6.171 114.552 108.800 -0.699 0.000 2.446 701 G HA2 -0.246 3.720 3.960 0.010 0.000 0.217 701 G HA3 -0.246 3.720 3.960 0.010 0.000 0.217 701 G C -0.821 173.689 174.900 -0.651 0.000 1.168 701 G CA 1.146 45.859 45.100 -0.646 0.000 0.771 701 G HN 0.449 nan 8.290 nan 0.000 0.551 702 P HA -0.073 nan 4.420 nan 0.000 0.216 702 P C 2.000 178.956 177.300 -0.574 0.000 1.150 702 P CA 0.466 63.057 63.100 -0.849 0.000 0.837 702 P CB -0.104 30.843 31.700 -1.255 0.000 0.786 703 L N -0.620 120.269 121.223 -0.556 0.000 2.042 703 L HA -0.214 4.132 4.340 0.010 0.000 0.210 703 L C 2.275 179.188 176.870 0.072 0.000 1.076 703 L CA 1.961 56.768 54.840 -0.055 0.000 0.749 703 L CB -1.555 40.627 42.059 0.205 0.000 0.893 703 L HN 0.125 nan 8.230 nan 0.000 0.432 704 H N -1.014 117.977 119.070 -0.132 0.000 2.319 704 H HA -0.132 4.429 4.556 0.009 0.000 0.299 704 H C 2.164 177.443 175.328 -0.081 0.000 1.092 704 H CA 0.994 56.999 56.048 -0.072 0.000 1.302 704 H CB 0.027 29.764 29.762 -0.042 0.000 1.373 704 H HN 0.272 nan 8.280 nan 0.000 0.497 705 R N 0.676 121.173 120.500 -0.005 0.000 2.083 705 R HA -0.112 4.234 4.340 0.010 0.000 0.237 705 R C 2.480 178.750 176.300 -0.049 0.000 1.137 705 R CA 0.892 56.958 56.100 -0.057 0.000 0.951 705 R CB -0.972 29.252 30.300 -0.126 0.000 0.851 705 R HN 0.224 nan 8.270 nan 0.000 0.434 706 V N 1.779 121.662 119.914 -0.051 0.000 2.295 706 V HA -0.209 3.917 4.120 0.010 0.000 0.246 706 V C 2.613 178.702 176.094 -0.009 0.000 1.049 706 V CA 1.524 63.809 62.300 -0.026 0.000 1.024 706 V CB -0.539 31.281 31.823 -0.006 0.000 0.648 706 V HN 0.186 nan 8.190 nan 0.000 0.447 707 L N 0.468 121.693 121.223 0.004 0.000 2.012 707 L HA -0.228 4.118 4.340 0.010 0.000 0.210 707 L C 2.842 179.704 176.870 -0.014 0.000 1.073 707 L CA 2.260 57.096 54.840 -0.006 0.000 0.748 707 L CB -0.792 41.253 42.059 -0.024 0.000 0.891 707 L HN 0.566 nan 8.230 nan 0.000 0.431 708 E N 0.091 120.284 120.200 -0.012 0.000 2.160 708 E HA -0.284 4.072 4.350 0.010 0.000 0.195 708 E C 2.216 178.806 176.600 -0.017 0.000 0.991 708 E CA 1.089 57.481 56.400 -0.013 0.000 0.810 708 E CB -0.320 29.375 29.700 -0.009 0.000 0.742 708 E HN 0.463 nan 8.360 nan 0.000 0.466 709 R N 0.787 121.274 120.500 -0.021 0.000 2.075 709 R HA -0.027 4.319 4.340 0.010 0.000 0.232 709 R C 2.348 178.639 176.300 -0.015 0.000 1.126 709 R CA 1.510 57.597 56.100 -0.022 0.000 0.963 709 R CB 0.053 30.336 30.300 -0.029 0.000 0.858 709 R HN 0.118 nan 8.270 nan 0.000 0.435 710 K N -0.813 119.581 120.400 -0.011 0.000 2.243 710 K HA 0.066 4.392 4.320 0.010 0.000 0.201 710 K C 0.527 177.124 176.600 -0.005 0.000 1.051 710 K CA 0.833 57.117 56.287 -0.004 0.000 0.970 710 K CB 0.699 33.200 32.500 0.002 0.000 0.755 710 K HN 0.044 nan 8.250 nan 0.000 0.465 711 A N 2.089 124.904 122.820 -0.009 0.000 3.355 711 A HA 0.283 4.609 4.320 0.010 0.000 0.290 711 A C -2.169 175.409 177.584 -0.010 0.000 0.973 711 A CA -0.967 51.065 52.037 -0.009 0.000 0.933 711 A CB 0.593 19.585 19.000 -0.013 0.000 1.138 711 A HN -0.114 nan 8.150 nan 0.000 0.490 712 P HA -0.169 nan 4.420 nan 0.000 0.216 712 P C 1.172 178.470 177.300 -0.005 0.000 1.153 712 P CA 1.311 64.406 63.100 -0.008 0.000 0.848 712 P CB 0.360 32.055 31.700 -0.010 0.000 0.787 713 E N -0.241 119.957 120.200 -0.004 0.000 2.106 713 E HA -0.134 4.222 4.350 0.010 0.000 0.192 713 E C 2.260 178.860 176.600 0.001 0.000 0.984 713 E CA 0.846 57.245 56.400 -0.002 0.000 0.806 713 E CB -0.198 29.500 29.700 -0.002 0.000 0.750 713 E HN 0.247 nan 8.360 nan 0.000 0.458 714 R N 0.173 120.671 120.500 -0.003 0.000 2.090 714 R HA -0.060 4.286 4.340 0.010 0.000 0.228 714 R C 2.370 178.671 176.300 0.002 0.000 1.110 714 R CA 0.849 56.947 56.100 -0.004 0.000 0.973 714 R CB -0.093 30.198 30.300 -0.015 0.000 0.869 714 R HN 0.040 nan 8.270 nan 0.000 0.440 715 V N 1.335 121.250 119.914 0.002 0.000 2.453 715 V HA -0.185 3.941 4.120 0.010 0.000 0.247 715 V C 1.866 177.992 176.094 0.054 0.000 1.048 715 V CA 1.743 64.055 62.300 0.021 0.000 1.049 715 V CB -0.602 31.221 31.823 0.001 0.000 0.672 715 V HN 0.333 nan 8.190 nan 0.000 0.457 716 N N 0.826 119.541 118.700 0.026 0.000 2.120 716 N HA -0.149 4.597 4.740 0.010 0.000 0.188 716 N C 1.805 177.333 175.510 0.030 0.000 1.024 716 N CA 1.632 54.695 53.050 0.021 0.000 0.852 716 N CB -0.331 38.160 38.487 0.005 0.000 1.003 716 N HN 0.385 nan 8.380 nan 0.000 0.424 717 A N 0.678 123.515 122.820 0.029 0.000 1.892 717 A HA -0.154 4.172 4.320 0.010 0.000 0.218 717 A C 2.315 179.936 177.584 0.062 0.000 1.188 717 A CA 1.418 53.474 52.037 0.033 0.000 0.631 717 A CB -1.072 17.941 19.000 0.023 0.000 0.822 717 A HN 0.394 nan 8.150 nan 0.000 0.447 718 L N -1.051 120.230 121.223 0.097 0.000 2.079 718 L HA -0.214 4.132 4.340 0.010 0.000 0.210 718 L C 2.934 179.963 176.870 0.265 0.000 1.081 718 L CA 1.248 56.207 54.840 0.199 0.000 0.752 718 L CB -0.431 41.744 42.059 0.194 0.000 0.896 718 L HN 0.344 nan 8.230 nan 0.000 0.433 719 R N 0.108 120.699 120.500 0.153 0.000 2.066 719 R HA -0.134 4.212 4.340 0.010 0.000 0.232 719 R C 2.073 178.344 176.300 -0.049 0.000 1.131 719 R CA 1.271 57.342 56.100 -0.049 0.000 0.955 719 R CB -0.591 29.670 30.300 -0.064 0.000 0.851 719 R HN 0.457 nan 8.270 nan 0.000 0.432 720 E N 0.819 121.016 120.200 -0.004 0.000 2.118 720 E HA -0.215 4.141 4.350 0.010 0.000 0.195 720 E C 2.005 178.615 176.600 0.016 0.000 0.992 720 E CA 1.375 57.775 56.400 -0.001 0.000 0.804 720 E CB -0.028 29.676 29.700 0.007 0.000 0.741 720 E HN 0.208 nan 8.360 nan 0.000 0.458 721 K N 0.913 121.338 120.400 0.041 0.000 2.097 721 K HA -0.202 4.124 4.320 0.010 0.000 0.205 721 K C 2.227 178.864 176.600 0.062 0.000 1.050 721 K CA 1.241 57.562 56.287 0.056 0.000 0.938 721 K CB 0.052 32.596 32.500 0.074 0.000 0.718 721 K HN 0.009 nan 8.250 nan 0.000 0.442 722 Q N 0.553 120.384 119.800 0.050 0.000 2.096 722 Q HA -0.188 4.158 4.340 0.010 0.000 0.204 722 Q C 1.956 177.966 176.000 0.017 0.000 0.982 722 Q CA 1.966 57.776 55.803 0.012 0.000 0.850 722 Q CB -0.093 28.526 28.738 -0.200 0.000 0.901 722 Q HN 0.409 nan 8.270 nan 0.000 0.422 723 I N -0.181 120.384 120.570 -0.008 0.000 2.142 723 I HA -0.277 3.899 4.170 0.010 0.000 0.240 723 I C 2.654 178.832 176.117 0.101 0.000 1.078 723 I CA 1.224 62.543 61.300 0.032 0.000 1.343 723 I CB -0.452 37.546 38.000 -0.003 0.000 1.046 723 I HN 0.230 nan 8.210 nan 0.000 0.405 724 S N 0.614 116.352 115.700 0.062 0.000 2.359 724 S HA -0.253 4.223 4.470 0.010 0.000 0.224 724 S C 1.768 176.406 174.600 0.062 0.000 1.035 724 S CA 2.025 60.257 58.200 0.054 0.000 1.018 724 S CB -0.365 62.856 63.200 0.035 0.000 0.876 724 S HN 0.358 nan 8.310 nan 0.000 0.448 725 D N -0.233 120.213 120.400 0.075 0.000 2.133 725 D HA -0.125 4.521 4.640 0.010 0.000 0.195 725 D C 1.594 177.952 176.300 0.098 0.000 0.997 725 D CA 1.504 55.551 54.000 0.077 0.000 0.840 725 D CB -0.649 40.204 40.800 0.089 0.000 0.947 725 D HN 0.655 nan 8.370 nan 0.000 0.452 726 Y N 1.830 122.147 120.300 0.029 0.000 2.070 726 Y HA -0.240 4.314 4.550 0.007 0.000 0.280 726 Y C 2.100 178.044 175.900 0.073 0.000 1.148 726 Y CA 2.042 60.169 58.100 0.045 0.000 1.125 726 Y CB -0.434 38.036 38.460 0.016 0.000 0.975 726 Y HN -0.012 nan 8.280 nan 0.000 0.492 727 E N -0.220 119.886 120.200 -0.156 0.000 2.058 727 E HA -0.224 4.132 4.350 0.010 0.000 0.194 727 E C 2.073 178.591 176.600 -0.137 0.000 0.997 727 E CA 1.475 57.728 56.400 -0.245 0.000 0.801 727 E CB -0.128 29.540 29.700 -0.054 0.000 0.746 727 E HN 0.502 nan 8.360 nan 0.000 0.450 728 E N 0.056 120.222 120.200 -0.056 0.000 2.106 728 E HA -0.111 4.245 4.350 0.010 0.000 0.192 728 E C 2.197 178.778 176.600 -0.032 0.000 0.984 728 E CA 1.112 57.496 56.400 -0.026 0.000 0.806 728 E CB -0.392 29.305 29.700 -0.004 0.000 0.750 728 E HN 0.217 nan 8.360 nan 0.000 0.458 729 T N 0.677 115.207 114.554 -0.039 0.000 2.812 729 T HA -0.123 4.233 4.350 0.010 0.000 0.264 729 T C 1.679 176.334 174.700 -0.074 0.000 1.042 729 T CA 0.904 62.983 62.100 -0.035 0.000 1.140 729 T CB -0.465 68.406 68.868 0.004 0.000 0.870 729 T HN 0.205 nan 8.240 nan 0.000 0.445 730 Y N 2.521 122.663 120.300 -0.263 0.000 2.040 730 Y HA -0.326 4.234 4.550 0.016 0.000 0.275 730 Y C 2.719 178.523 175.900 -0.159 0.000 1.171 730 Y CA 2.191 60.125 58.100 -0.277 0.000 1.123 730 Y CB -0.171 37.977 38.460 -0.520 0.000 0.963 730 Y HN -0.030 nan 8.280 nan 0.000 0.493 731 R N 0.398 120.925 120.500 0.045 0.000 2.083 731 R HA -0.210 4.136 4.340 0.010 0.000 0.237 731 R C 2.384 178.646 176.300 -0.063 0.000 1.137 731 R CA 2.191 58.306 56.100 0.024 0.000 0.951 731 R CB -0.991 29.331 30.300 0.036 0.000 0.851 731 R HN 0.515 nan 8.270 nan 0.000 0.434 732 M N 0.200 119.763 119.600 -0.062 0.000 2.080 732 M HA -0.160 4.326 4.480 0.010 0.000 0.260 732 M C 1.888 178.130 176.300 -0.096 0.000 1.068 732 M CA 1.822 57.085 55.300 -0.062 0.000 1.109 732 M CB -0.514 32.060 32.600 -0.043 0.000 1.342 732 M HN 0.354 nan 8.290 nan 0.000 0.405 733 L N -0.704 120.432 121.223 -0.145 0.000 2.046 733 L HA -0.204 4.142 4.340 0.010 0.000 0.208 733 L C 2.696 179.441 176.870 -0.208 0.000 1.077 733 L CA 1.470 56.206 54.840 -0.172 0.000 0.747 733 L CB -0.893 41.046 42.059 -0.201 0.000 0.896 733 L HN 0.388 nan 8.230 nan 0.000 0.432 734 S N -0.143 115.377 115.700 -0.301 0.000 2.353 734 S HA -0.225 4.251 4.470 0.010 0.000 0.222 734 S C 1.639 176.170 174.600 -0.115 0.000 1.035 734 S CA 1.886 59.943 58.200 -0.238 0.000 1.025 734 S CB -0.196 62.861 63.200 -0.239 0.000 0.902 734 S HN 0.404 nan 8.310 nan 0.000 0.440 735 D N 0.353 120.702 120.400 -0.085 0.000 2.117 735 D HA -0.057 4.589 4.640 0.010 0.000 0.197 735 D C 2.300 178.572 176.300 -0.047 0.000 0.987 735 D CA 1.914 55.885 54.000 -0.049 0.000 0.829 735 D CB -0.762 40.016 40.800 -0.036 0.000 0.961 735 D HN 0.700 nan 8.370 nan 0.000 0.460 736 T N -2.468 112.053 114.554 -0.056 0.000 3.035 736 T HA 0.102 4.458 4.350 0.010 0.000 0.259 736 T C 1.667 176.340 174.700 -0.045 0.000 1.078 736 T CA 0.565 62.639 62.100 -0.044 0.000 1.132 736 T CB 0.210 69.055 68.868 -0.039 0.000 0.900 736 T HN 0.125 nan 8.240 nan 0.000 0.480 737 E N 0.349 120.512 120.200 -0.060 0.000 2.357 737 E HA 0.327 4.683 4.350 0.010 0.000 0.202 737 E C 2.085 178.654 176.600 -0.052 0.000 0.855 737 E CA -0.041 56.327 56.400 -0.054 0.000 1.048 737 E CB 0.220 29.884 29.700 -0.061 0.000 1.037 737 E HN 0.288 nan 8.360 nan 0.000 0.499 738 L N 0.944 122.125 121.223 -0.070 0.000 2.023 738 L HA -0.023 4.323 4.340 0.010 0.000 0.205 738 L C 2.760 179.609 176.870 -0.036 0.000 1.073 738 L CA 1.050 55.856 54.840 -0.056 0.000 0.745 738 L CB -0.468 41.547 42.059 -0.073 0.000 0.900 738 L HN 0.047 nan 8.230 nan 0.000 0.435 739 R N 0.604 121.083 120.500 -0.037 0.000 2.113 739 R HA -0.182 4.164 4.340 0.010 0.000 0.244 739 R C -0.403 175.887 176.300 -0.017 0.000 1.142 739 R CA 2.111 58.198 56.100 -0.022 0.000 0.953 739 R CB -1.155 29.133 30.300 -0.021 0.000 0.860 739 R HN 0.244 nan 8.270 nan 0.000 0.438 740 P HA -0.001 nan 4.420 nan 0.000 0.220 740 P C 0.256 177.549 177.300 -0.012 0.000 1.148 740 P CA 0.913 64.005 63.100 -0.014 0.000 0.803 740 P CB 0.151 31.842 31.700 -0.015 0.000 0.782 741 S N -0.941 114.751 115.700 -0.014 0.000 2.278 741 S HA 0.388 4.864 4.470 0.010 0.000 0.218 741 S C 1.122 175.718 174.600 -0.006 0.000 1.345 741 S CA 0.535 58.729 58.200 -0.010 0.000 1.006 741 S CB -1.148 62.045 63.200 -0.012 0.000 0.811 741 S HN 0.436 nan 8.310 nan 0.000 0.459 742 G N -0.672 108.125 108.800 -0.004 0.000 2.750 742 G HA2 -0.108 3.858 3.960 0.010 0.000 0.228 742 G HA3 -0.108 3.858 3.960 0.010 0.000 0.228 742 G C -0.174 174.724 174.900 -0.003 0.000 1.367 742 G CA -0.007 45.090 45.100 -0.004 0.000 0.871 742 G HN 0.872 nan 8.290 nan 0.000 0.560 743 L N -1.387 119.834 121.223 -0.002 0.000 5.620 743 L HA 0.056 4.402 4.340 0.010 0.000 0.568 743 L C 1.976 178.849 176.870 0.004 0.000 0.669 743 L CA 0.621 55.461 54.840 -0.000 0.000 2.361 743 L CB -0.382 41.672 42.059 -0.009 0.000 1.820 743 L HN 0.877 nan 8.230 nan 0.000 0.571 744 V N 0.238 120.155 119.914 0.005 0.000 2.490 744 V HA -0.105 4.021 4.120 0.010 0.000 0.250 744 V C 1.983 178.097 176.094 0.033 0.000 1.061 744 V CA 2.673 64.982 62.300 0.015 0.000 1.064 744 V CB 0.063 31.892 31.823 0.010 0.000 0.670 744 V HN 0.464 nan 8.190 nan 0.000 0.461 745 G N -0.198 108.618 108.800 0.027 0.000 2.408 745 G HA2 -0.185 3.781 3.960 0.010 0.000 0.215 745 G HA3 -0.185 3.781 3.960 0.010 0.000 0.215 745 G C 0.972 175.893 174.900 0.036 0.000 1.156 745 G CA 0.308 45.427 45.100 0.032 0.000 0.793 745 G HN 0.555 nan 8.290 nan 0.000 0.535 746 N N 1.851 120.569 118.700 0.029 0.000 2.355 746 N HA -0.067 4.679 4.740 0.010 0.000 0.282 746 N C 1.901 177.435 175.510 0.040 0.000 1.374 746 N CA 0.893 53.960 53.050 0.029 0.000 0.929 746 N CB 0.604 39.103 38.487 0.020 0.000 1.278 746 N HN 0.295 nan 8.380 nan 0.000 0.491 747 T N 0.537 115.116 114.554 0.042 0.000 2.849 747 T HA -0.159 4.197 4.350 0.010 0.000 0.270 747 T C 1.095 175.827 174.700 0.053 0.000 1.066 747 T CA 1.278 63.409 62.100 0.052 0.000 1.130 747 T CB 0.027 68.920 68.868 0.043 0.000 0.864 747 T HN 0.341 nan 8.240 nan 0.000 0.481 748 D N 1.697 122.121 120.400 0.040 0.000 2.123 748 D HA 0.229 4.875 4.640 0.010 0.000 0.200 748 D C 2.436 178.757 176.300 0.036 0.000 0.976 748 D CA 1.199 55.221 54.000 0.036 0.000 0.831 748 D CB -0.483 40.333 40.800 0.026 0.000 0.974 748 D HN 0.529 nan 8.370 nan 0.000 0.469 749 A N 0.652 123.489 122.820 0.028 0.000 1.930 749 A HA -0.161 4.165 4.320 0.010 0.000 0.217 749 A C 1.892 179.488 177.584 0.020 0.000 1.175 749 A CA 1.198 53.244 52.037 0.015 0.000 0.627 749 A CB -0.434 18.567 19.000 0.002 0.000 0.815 749 A HN 0.181 nan 8.150 nan 0.000 0.443 750 E N -0.827 119.406 120.200 0.055 0.000 2.274 750 E HA -0.128 4.228 4.350 0.010 0.000 0.194 750 E C 2.182 178.892 176.600 0.182 0.000 0.996 750 E CA 0.528 57.001 56.400 0.122 0.000 0.840 750 E CB -0.089 29.727 29.700 0.193 0.000 0.772 750 E HN 0.546 nan 8.360 nan 0.000 0.491 751 R N 0.438 121.010 120.500 0.120 0.000 2.075 751 R HA -0.064 4.282 4.340 0.010 0.000 0.226 751 R C 2.160 178.521 176.300 0.101 0.000 1.114 751 R CA 1.468 57.637 56.100 0.115 0.000 0.972 751 R CB -0.011 30.334 30.300 0.075 0.000 0.869 751 R HN 0.064 nan 8.270 nan 0.000 0.437 752 T N 1.817 116.411 114.554 0.065 0.000 2.788 752 T HA -0.150 4.206 4.350 0.010 0.000 0.268 752 T C 1.789 176.515 174.700 0.043 0.000 1.044 752 T CA 1.669 63.796 62.100 0.045 0.000 1.139 752 T CB -0.224 68.657 68.868 0.023 0.000 0.867 752 T HN 0.463 nan 8.240 nan 0.000 0.454 753 I N -0.296 120.285 120.570 0.019 0.000 2.584 753 I HA 0.255 4.431 4.170 0.010 0.000 0.255 753 I C 2.645 178.809 176.117 0.079 0.000 1.145 753 I CA 1.045 62.325 61.300 -0.035 0.000 1.462 753 I CB -0.980 36.890 38.000 -0.216 0.000 1.102 753 I HN 0.150 nan 8.210 nan 0.000 0.433 754 G N 1.187 110.138 108.800 0.252 0.000 2.440 754 G HA2 -0.222 3.744 3.960 0.010 0.000 0.218 754 G HA3 -0.222 3.744 3.960 0.010 0.000 0.218 754 G C 1.795 176.907 174.900 0.352 0.000 1.154 754 G CA 1.023 46.425 45.100 0.503 0.000 0.767 754 G HN 0.583 nan 8.290 nan 0.000 0.552 755 A N 0.649 123.585 122.820 0.194 0.000 1.898 755 A HA 0.033 4.359 4.320 0.010 0.000 0.216 755 A C 2.431 180.085 177.584 0.116 0.000 1.181 755 A CA 1.596 53.706 52.037 0.122 0.000 0.620 755 A CB -0.394 18.652 19.000 0.078 0.000 0.819 755 A HN 0.341 nan 8.150 nan 0.000 0.442 756 R N -0.596 119.966 120.500 0.102 0.000 2.096 756 R HA -0.093 4.253 4.340 0.010 0.000 0.235 756 R C 2.391 178.757 176.300 0.110 0.000 1.127 756 R CA 1.210 57.358 56.100 0.081 0.000 0.968 756 R CB -0.397 29.929 30.300 0.043 0.000 0.861 756 R HN 0.521 nan 8.270 nan 0.000 0.440 757 A N 0.538 123.459 122.820 0.168 0.000 1.969 757 A HA -0.106 4.220 4.320 0.010 0.000 0.218 757 A C 2.069 179.852 177.584 0.331 0.000 1.169 757 A CA 0.980 53.149 52.037 0.220 0.000 0.635 757 A CB -0.201 18.913 19.000 0.190 0.000 0.810 757 A HN 0.111 nan 8.150 nan 0.000 0.445 758 M N -0.762 119.028 119.600 0.316 0.000 2.132 758 M HA -0.126 4.360 4.480 0.010 0.000 0.263 758 M C 2.077 178.436 176.300 0.097 0.000 1.065 758 M CA 2.015 57.403 55.300 0.147 0.000 1.122 758 M CB -1.049 31.549 32.600 -0.002 0.000 1.365 758 M HN 0.640 nan 8.290 nan 0.000 0.411 759 E N 0.191 120.447 120.200 0.092 0.000 2.028 759 E HA -0.140 4.216 4.350 0.010 0.000 0.191 759 E C 2.079 178.729 176.600 0.082 0.000 0.988 759 E CA 1.959 58.404 56.400 0.075 0.000 0.799 759 E CB -0.232 29.506 29.700 0.064 0.000 0.755 759 E HN 0.295 nan 8.360 nan 0.000 0.447 760 S N -0.330 115.422 115.700 0.085 0.000 2.389 760 S HA -0.304 4.172 4.470 0.010 0.000 0.229 760 S C 2.122 176.780 174.600 0.096 0.000 1.048 760 S CA 2.273 60.521 58.200 0.081 0.000 1.117 760 S CB -0.881 62.364 63.200 0.075 0.000 1.020 760 S HN 0.480 nan 8.310 nan 0.000 0.430 761 A N 1.180 124.072 122.820 0.119 0.000 1.940 761 A HA -0.130 4.196 4.320 0.010 0.000 0.219 761 A C 2.171 179.838 177.584 0.137 0.000 1.176 761 A CA 2.031 54.144 52.037 0.127 0.000 0.631 761 A CB -0.748 18.343 19.000 0.152 0.000 0.814 761 A HN 0.711 nan 8.150 nan 0.000 0.446 762 K N 0.043 120.514 120.400 0.119 0.000 2.025 762 K HA -0.189 4.137 4.320 0.010 0.000 0.207 762 K C 2.185 178.900 176.600 0.192 0.000 1.049 762 K CA 1.788 58.168 56.287 0.155 0.000 0.933 762 K CB -0.214 32.347 32.500 0.102 0.000 0.714 762 K HN 0.463 nan 8.250 nan 0.000 0.438 763 K N -0.053 120.422 120.400 0.125 0.000 2.097 763 K HA -0.097 4.229 4.320 0.010 0.000 0.205 763 K C 1.683 178.332 176.600 0.083 0.000 1.050 763 K CA 1.801 58.144 56.287 0.093 0.000 0.938 763 K CB -0.040 32.500 32.500 0.067 0.000 0.718 763 K HN 0.096 nan 8.250 nan 0.000 0.442 764 T N 0.856 115.470 114.554 0.100 0.000 2.821 764 T HA -0.131 4.225 4.350 0.010 0.000 0.267 764 T C 1.293 176.052 174.700 0.099 0.000 1.046 764 T CA 1.283 63.433 62.100 0.084 0.000 1.139 764 T CB -0.342 68.579 68.868 0.089 0.000 0.871 764 T HN 0.331 nan 8.240 nan 0.000 0.454 765 F N 1.944 121.894 119.950 0.001 0.000 2.102 765 F HA -0.000 4.535 4.527 0.014 0.000 0.298 765 F C 1.834 177.616 175.800 -0.029 0.000 1.105 765 F CA 1.128 59.118 58.000 -0.017 0.000 1.239 765 F CB -0.592 38.397 39.000 -0.018 0.000 0.991 765 F HN 0.039 nan 8.300 nan 0.000 0.474 766 L N 0.017 121.125 121.223 -0.192 0.000 2.191 766 L HA -0.192 4.154 4.340 0.010 0.000 0.212 766 L C 2.000 178.751 176.870 -0.199 0.000 1.103 766 L CA 1.169 55.851 54.840 -0.263 0.000 0.769 766 L CB -0.851 41.184 42.059 -0.039 0.000 0.908 766 L HN 0.084 nan 8.230 nan 0.000 0.438 767 D N 0.174 120.506 120.400 -0.113 0.000 2.144 767 D HA -0.133 4.513 4.640 0.010 0.000 0.199 767 D C 2.131 178.361 176.300 -0.116 0.000 0.984 767 D CA 1.474 55.425 54.000 -0.082 0.000 0.834 767 D CB -0.170 40.610 40.800 -0.033 0.000 0.955 767 D HN 0.330 nan 8.370 nan 0.000 0.465 768 G N -0.125 108.574 108.800 -0.168 0.000 2.494 768 G HA2 -0.062 3.904 3.960 0.010 0.000 0.216 768 G HA3 -0.062 3.904 3.960 0.010 0.000 0.216 768 G C 1.696 176.458 174.900 -0.230 0.000 1.140 768 G CA -0.126 44.878 45.100 -0.161 0.000 0.801 768 G HN 0.220 nan 8.290 nan 0.000 0.536 769 L N -0.163 120.831 121.223 -0.382 0.000 2.056 769 L HA -0.024 4.322 4.340 0.010 0.000 0.207 769 L C 2.920 179.675 176.870 -0.192 0.000 1.078 769 L CA 1.087 55.713 54.840 -0.356 0.000 0.749 769 L CB -0.359 41.385 42.059 -0.525 0.000 0.901 769 L HN 0.216 nan 8.230 nan 0.000 0.433 770 R N 0.367 120.774 120.500 -0.155 0.000 2.112 770 R HA -0.197 4.149 4.340 0.010 0.000 0.242 770 R C -0.461 175.806 176.300 -0.055 0.000 1.137 770 R CA 2.280 58.329 56.100 -0.084 0.000 0.944 770 R CB -1.204 29.057 30.300 -0.065 0.000 0.857 770 R HN 0.275 nan 8.270 nan 0.000 0.435 771 P HA -0.154 nan 4.420 nan 0.000 0.218 771 P C 1.294 178.577 177.300 -0.028 0.000 1.149 771 P CA 1.347 64.427 63.100 -0.034 0.000 0.817 771 P CB -0.115 31.564 31.700 -0.035 0.000 0.785 772 L N -1.019 120.176 121.223 -0.047 0.000 2.109 772 L HA -0.086 4.260 4.340 0.010 0.000 0.207 772 L C 2.672 179.533 176.870 -0.015 0.000 1.086 772 L CA 1.075 55.893 54.840 -0.037 0.000 0.760 772 L CB -1.015 41.005 42.059 -0.064 0.000 0.910 772 L HN -0.163 nan 8.230 nan 0.000 0.437 773 V N -0.040 119.861 119.914 -0.020 0.000 2.379 773 V HA -0.233 3.893 4.120 0.010 0.000 0.245 773 V C 2.511 178.628 176.094 0.037 0.000 1.044 773 V CA 1.798 64.107 62.300 0.014 0.000 1.036 773 V CB -0.320 31.508 31.823 0.008 0.000 0.664 773 V HN 0.416 nan 8.190 nan 0.000 0.453 774 E N 0.825 121.037 120.200 0.021 0.000 2.085 774 E HA -0.268 4.088 4.350 0.010 0.000 0.194 774 E C 2.047 178.672 176.600 0.043 0.000 0.994 774 E CA 1.924 58.343 56.400 0.032 0.000 0.801 774 E CB -0.266 29.442 29.700 0.014 0.000 0.743 774 E HN 0.611 nan 8.360 nan 0.000 0.453 775 E N 0.019 120.238 120.200 0.032 0.000 2.031 775 E HA -0.176 4.180 4.350 0.010 0.000 0.193 775 E C 2.169 178.811 176.600 0.070 0.000 0.994 775 E CA 1.810 58.233 56.400 0.039 0.000 0.800 775 E CB -0.424 29.290 29.700 0.024 0.000 0.752 775 E HN 0.441 nan 8.360 nan 0.000 0.447 776 M N -0.895 118.749 119.600 0.074 0.000 2.132 776 M HA -0.083 4.403 4.480 0.010 0.000 0.263 776 M C 0.833 177.245 176.300 0.187 0.000 1.065 776 M CA 1.283 56.645 55.300 0.103 0.000 1.122 776 M CB 0.188 32.827 32.600 0.065 0.000 1.365 776 M HN 0.245 nan 8.290 nan 0.000 0.411 777 L N -0.801 120.531 121.223 0.181 0.000 2.701 777 L HA 0.331 4.677 4.340 0.010 0.000 0.238 777 L C 2.215 179.239 176.870 0.256 0.000 1.106 777 L CA 0.640 55.642 54.840 0.270 0.000 0.898 777 L CB -0.725 41.446 42.059 0.186 0.000 1.188 777 L HN 0.318 nan 8.230 nan 0.000 0.508 778 G N -0.108 108.779 108.800 0.145 0.000 2.513 778 G HA2 -0.359 3.607 3.960 0.010 0.000 0.219 778 G HA3 -0.359 3.607 3.960 0.010 0.000 0.219 778 G C 1.596 176.522 174.900 0.043 0.000 1.160 778 G CA 1.321 46.471 45.100 0.084 0.000 0.767 778 G HN 0.501 nan 8.290 nan 0.000 0.571 779 S N -0.792 114.891 115.700 -0.028 0.000 2.547 779 S HA 0.037 4.513 4.470 0.010 0.000 0.235 779 S C 1.706 176.103 174.600 -0.338 0.000 0.980 779 S CA 0.763 58.838 58.200 -0.207 0.000 0.941 779 S CB -0.395 62.616 63.200 -0.316 0.000 0.763 779 S HN 0.489 nan 8.310 nan 0.000 0.532 780 Y N 0.374 120.695 120.300 0.036 0.000 2.449 780 Y HA 0.495 5.051 4.550 0.010 0.000 0.254 780 Y C 1.417 177.344 175.900 0.044 0.000 1.140 780 Y CA -0.267 57.857 58.100 0.039 0.000 1.272 780 Y CB 0.177 38.670 38.460 0.056 0.000 1.114 780 Y HN 0.230 nan 8.280 nan 0.000 0.525 781 L N 0.027 121.345 121.223 0.158 0.000 2.667 781 L HA 0.188 4.534 4.340 0.010 0.000 0.232 781 L C -0.292 176.618 176.870 0.066 0.000 1.138 781 L CA -0.094 54.831 54.840 0.140 0.000 0.921 781 L CB -0.324 41.831 42.059 0.161 0.000 1.180 781 L HN 0.138 nan 8.230 nan 0.000 0.487 782 N N -0.756 117.960 118.700 0.027 0.000 2.444 782 N HA 0.184 4.930 4.740 0.010 0.000 0.255 782 N C 0.244 175.741 175.510 -0.021 0.000 1.255 782 N CA -0.548 52.498 53.050 -0.005 0.000 0.933 782 N CB 1.085 39.558 38.487 -0.022 0.000 1.143 782 N HN -0.202 nan 8.380 nan 0.000 0.453 783 V N 0.000 119.891 119.914 -0.039 0.000 2.409 783 V HA 0.000 4.126 4.120 0.010 0.000 0.244 783 V CA 0.000 62.267 62.300 -0.056 0.000 1.235 783 V CB 0.000 31.789 31.823 -0.056 0.000 1.184 783 V HN 0.000 nan 8.190 nan 0.000 0.556