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 1ybe_1_A DATA FIRST_RESID 8 DATA SEQUENCE MTKTDIATRX XXXXWKLDPI VRSLIDTDFY KLLMLQMIWK LYPEVDATFS DATA SEQUENCE LINRTKTVRL AEEIDEMELR EQLDHARTLR LSKKENIWLA GNTFYGRSQI DATA SEQUENCE FEPEFLSWLS SYQLPEYELF KRDGQYELNF HGRWMDTTLW EIPALSIINE DATA SEQUENCE LRSRSAMRSL GYFTLDVLYA RAKAKMWEKV ERLRELPGLR ISDFGTRRRH DATA SEQUENCE SFLWQRWCVE ALKEGIGPAF TGTSNVLLAM DSDLEAVGTN AHELPMVVAA DATA SEQUENCE LAQTNEELAA APYQVLKDWN RLYGGNLLIV LPDAFGTAAF LRNAPEWVAD DATA SEQUENCE WTGFRPDSAP PIEGGEKIIE WWRKMGRDPR TKMLIFSDGL DVDAIVDTYR DATA SEQUENCE HFEGRVRMSF GWGTNLTNDF AGCAPXXXXX LKPISIVCKV SDANGRPAVK DATA SEQUENCE LSDNPQKATG DPAEVERYLK FFGEED 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 8 M HA 0.000 nan 4.480 nan 0.000 0.227 8 M C 0.000 176.264 176.300 -0.059 0.000 1.140 8 M CA 0.000 55.286 55.300 -0.022 0.000 0.988 8 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 9 T N -0.967 113.507 114.554 -0.134 0.000 2.915 9 T HA 0.149 4.499 4.350 -0.000 0.000 0.269 9 T C 1.861 176.386 174.700 -0.291 0.000 1.071 9 T CA 3.255 65.218 62.100 -0.229 0.000 1.132 9 T CB -1.034 67.614 68.868 -0.367 0.000 0.878 9 T HN 1.754 nan 8.240 nan 0.000 0.479 10 K N 1.276 121.533 120.400 -0.239 0.000 2.209 10 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 10 K C 2.388 179.009 176.600 0.034 0.000 1.048 10 K CA 1.775 58.069 56.287 0.011 0.000 0.940 10 K CB -1.661 30.925 32.500 0.143 0.000 0.729 10 K HN 0.619 nan 8.250 nan 0.000 0.451 11 T N 1.078 115.629 114.554 -0.004 0.000 2.896 11 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 11 T C 1.369 176.076 174.700 0.011 0.000 1.050 11 T CA 1.282 63.388 62.100 0.009 0.000 1.140 11 T CB -0.216 68.653 68.868 0.003 0.000 0.877 11 T HN 0.645 nan 8.240 nan 0.000 0.457 12 D N 1.403 121.804 120.400 0.001 0.000 2.084 12 D HA -0.048 4.592 4.640 -0.000 0.000 0.196 12 D C 2.068 178.384 176.300 0.026 0.000 0.985 12 D CA 0.644 54.651 54.000 0.011 0.000 0.826 12 D CB -0.250 40.557 40.800 0.011 0.000 0.978 12 D HN 0.197 nan 8.370 nan 0.000 0.456 13 I N 1.374 121.970 120.570 0.043 0.000 2.145 13 I HA -0.290 3.880 4.170 -0.000 0.000 0.244 13 I C 2.437 178.586 176.117 0.053 0.000 1.075 13 I CA 1.276 62.620 61.300 0.074 0.000 1.332 13 I CB -1.604 36.491 38.000 0.158 0.000 1.033 13 I HN -0.041 nan 8.210 nan 0.000 0.410 14 A N 0.608 123.459 122.820 0.051 0.000 1.877 14 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 14 A C 2.237 179.834 177.584 0.022 0.000 1.186 14 A CA 2.266 54.324 52.037 0.035 0.000 0.620 14 A CB -1.268 17.752 19.000 0.033 0.000 0.822 14 A HN 0.457 nan 8.150 nan 0.000 0.443 15 T N -0.108 114.458 114.554 0.019 0.000 3.219 15 T HA 0.075 4.425 4.350 -0.000 0.000 0.264 15 T C 0.684 175.389 174.700 0.008 0.000 1.178 15 T CA 0.806 62.913 62.100 0.011 0.000 1.057 15 T CB -0.341 68.533 68.868 0.009 0.000 0.919 15 T HN 0.278 nan 8.240 nan 0.000 0.545 23 K N 0.845 121.232 120.400 -0.022 0.000 2.296 23 K HA 0.957 5.277 4.320 -0.000 0.000 0.243 23 K C -0.055 176.520 176.600 -0.041 0.000 1.082 23 K CA -0.167 56.102 56.287 -0.029 0.000 0.929 23 K CB 0.879 33.359 32.500 -0.033 0.000 1.353 23 K HN 2.215 nan 8.250 nan 0.000 0.536 24 L N 1.054 122.242 121.223 -0.059 0.000 2.397 24 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 24 L C -0.418 176.386 176.870 -0.111 0.000 1.148 24 L CA 0.126 54.915 54.840 -0.085 0.000 0.825 24 L CB 1.190 43.182 42.059 -0.112 0.000 1.117 24 L HN 0.718 nan 8.230 nan 0.000 0.456 25 D N 6.254 126.593 120.400 -0.100 0.000 2.485 25 D HA 0.331 4.971 4.640 -0.000 0.000 0.256 25 D C -2.477 173.749 176.300 -0.123 0.000 1.141 25 D CA -1.916 52.027 54.000 -0.095 0.000 0.942 25 D CB 0.554 41.324 40.800 -0.050 0.000 1.003 25 D HN 0.386 nan 8.370 nan 0.000 0.507 26 P HA -0.016 nan 4.420 nan 0.000 0.262 26 P C 1.054 178.291 177.300 -0.104 0.000 1.199 26 P CA -0.323 62.630 63.100 -0.245 0.000 0.763 26 P CB 1.137 32.508 31.700 -0.548 0.000 0.790 27 I N 3.141 123.688 120.570 -0.039 0.000 2.286 27 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 27 I C 1.177 177.277 176.117 -0.029 0.000 1.104 27 I CA 1.122 62.417 61.300 -0.009 0.000 1.397 27 I CB -0.501 37.513 38.000 0.023 0.000 1.072 27 I HN 0.104 nan 8.210 nan 0.000 0.417 28 V N 3.923 123.840 119.914 0.005 0.000 2.334 28 V HA 0.187 4.307 4.120 -0.000 0.000 0.267 28 V C 1.441 177.493 176.094 -0.071 0.000 1.040 28 V CA -0.527 61.751 62.300 -0.037 0.000 0.866 28 V CB 1.149 32.966 31.823 -0.011 0.000 1.019 28 V HN 0.242 nan 8.190 nan 0.000 0.468 29 R N 2.910 123.274 120.500 -0.227 0.000 2.075 29 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 29 R C 1.064 177.272 176.300 -0.155 0.000 1.140 29 R CA 1.531 57.478 56.100 -0.255 0.000 0.928 29 R CB -0.435 29.555 30.300 -0.517 0.000 0.834 29 R HN 0.766 nan 8.270 nan 0.000 0.429 30 S N -1.730 113.874 115.700 -0.160 0.000 2.685 30 S HA 0.273 4.743 4.470 -0.000 0.000 0.282 30 S C 0.561 175.082 174.600 -0.132 0.000 1.159 30 S CA -0.855 57.264 58.200 -0.135 0.000 0.833 30 S CB 1.196 64.323 63.200 -0.121 0.000 1.151 30 S HN 0.015 nan 8.310 nan 0.000 0.485 31 L N 0.876 122.017 121.223 -0.137 0.000 2.275 31 L HA 0.281 4.621 4.340 -0.000 0.000 0.215 31 L C 1.580 178.384 176.870 -0.110 0.000 1.119 31 L CA 1.470 56.226 54.840 -0.140 0.000 0.790 31 L CB -0.848 41.127 42.059 -0.140 0.000 0.919 31 L HN 0.787 nan 8.230 nan 0.000 0.443 32 I N -4.288 116.232 120.570 -0.083 0.000 3.891 32 I HA 0.226 4.396 4.170 -0.000 0.000 0.331 32 I C 0.185 176.295 176.117 -0.013 0.000 1.406 32 I CA -0.195 61.080 61.300 -0.041 0.000 1.139 32 I CB -0.330 37.666 38.000 -0.007 0.000 1.056 32 I HN -0.019 nan 8.210 nan 0.000 0.399 33 D N 2.368 122.750 120.400 -0.030 0.000 2.713 33 D HA 0.221 4.861 4.640 -0.000 0.000 0.229 33 D C 0.051 176.366 176.300 0.025 0.000 1.136 33 D CA 0.285 54.300 54.000 0.024 0.000 1.010 33 D CB 0.214 41.002 40.800 -0.021 0.000 1.084 33 D HN 0.393 nan 8.370 nan 0.000 0.495 34 T N 0.239 114.808 114.554 0.025 0.000 2.671 34 T HA 0.249 4.599 4.350 -0.000 0.000 0.300 34 T C -1.432 173.274 174.700 0.009 0.000 1.238 34 T CA -0.843 61.255 62.100 -0.004 0.000 1.020 34 T CB 0.997 69.821 68.868 -0.074 0.000 1.503 34 T HN -0.059 nan 8.240 nan 0.000 0.497 35 D N 1.267 121.634 120.400 -0.056 0.000 2.255 35 D HA 0.266 4.906 4.640 -0.000 0.000 0.249 35 D C 0.634 176.909 176.300 -0.041 0.000 1.078 35 D CA -0.284 53.695 54.000 -0.036 0.000 0.896 35 D CB 1.084 41.870 40.800 -0.022 0.000 1.194 35 D HN 0.399 nan 8.370 nan 0.000 0.429 36 F N 2.540 122.463 119.950 -0.046 0.000 2.161 36 F HA -0.272 4.255 4.527 -0.000 0.000 0.300 36 F C 2.080 177.896 175.800 0.027 0.000 1.089 36 F CA 1.332 59.342 58.000 0.016 0.000 1.282 36 F CB -0.487 38.576 39.000 0.106 0.000 1.010 36 F HN 0.519 nan 8.300 nan 0.000 0.485 37 Y N -0.241 120.078 120.300 0.033 0.000 2.274 37 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 37 Y C 2.045 177.915 175.900 -0.050 0.000 1.145 37 Y CA 1.322 59.400 58.100 -0.038 0.000 1.203 37 Y CB -1.182 37.326 38.460 0.080 0.000 0.984 37 Y HN -0.163 nan 8.280 nan 0.000 0.533 38 K N 0.994 120.981 120.400 -0.688 0.000 2.147 38 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 38 K C 2.015 178.486 176.600 -0.215 0.000 1.049 38 K CA 1.251 57.260 56.287 -0.463 0.000 0.936 38 K CB -0.414 31.774 32.500 -0.520 0.000 0.722 38 K HN 0.500 nan 8.250 nan 0.000 0.446 39 L N 0.288 121.377 121.223 -0.223 0.000 2.131 39 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 39 L C 2.310 179.140 176.870 -0.067 0.000 1.087 39 L CA 0.585 55.352 54.840 -0.122 0.000 0.767 39 L CB -0.318 41.656 42.059 -0.142 0.000 0.917 39 L HN 0.069 nan 8.230 nan 0.000 0.441 40 L N -1.001 120.072 121.223 -0.250 0.000 2.056 40 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 40 L C 2.658 179.516 176.870 -0.019 0.000 1.078 40 L CA 1.190 55.858 54.840 -0.287 0.000 0.749 40 L CB -0.376 41.323 42.059 -0.600 0.000 0.901 40 L HN 0.287 nan 8.230 nan 0.000 0.433 41 M N -0.731 118.922 119.600 0.090 0.000 2.132 41 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 41 M C 2.367 178.623 176.300 -0.074 0.000 1.065 41 M CA 1.477 56.862 55.300 0.141 0.000 1.122 41 M CB -0.399 32.311 32.600 0.184 0.000 1.365 41 M HN 0.242 nan 8.290 nan 0.000 0.411 42 L N 0.874 122.031 121.223 -0.110 0.000 2.042 42 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 42 L C 2.423 179.159 176.870 -0.224 0.000 1.076 42 L CA 1.989 56.747 54.840 -0.136 0.000 0.749 42 L CB -0.930 41.127 42.059 -0.003 0.000 0.893 42 L HN 0.355 nan 8.230 nan 0.000 0.432 43 Q N -1.124 118.392 119.800 -0.474 0.000 2.119 43 Q HA -0.246 4.094 4.340 -0.000 0.000 0.201 43 Q C 2.319 178.121 176.000 -0.329 0.000 0.972 43 Q CA 1.972 57.218 55.803 -0.928 0.000 0.847 43 Q CB -0.202 27.845 28.738 -1.152 0.000 0.903 43 Q HN 0.655 nan 8.270 nan 0.000 0.433 44 M N 0.019 119.498 119.600 -0.203 0.000 2.132 44 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 44 M C 1.773 178.025 176.300 -0.080 0.000 1.065 44 M CA 1.320 56.548 55.300 -0.120 0.000 1.122 44 M CB 0.009 32.632 32.600 0.039 0.000 1.365 44 M HN 0.298 nan 8.290 nan 0.000 0.411 45 I N -0.897 119.576 120.570 -0.161 0.000 2.252 45 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 45 I C 2.199 178.257 176.117 -0.098 0.000 1.102 45 I CA 1.460 62.627 61.300 -0.222 0.000 1.385 45 I CB -0.629 36.963 38.000 -0.681 0.000 1.064 45 I HN 0.560 nan 8.210 nan 0.000 0.414 46 W N 2.444 123.547 121.300 -0.328 0.000 2.342 46 W HA -0.256 4.404 4.660 0.000 0.000 0.297 46 W C 2.497 178.856 176.519 -0.265 0.000 1.213 46 W CA 1.806 58.930 57.345 -0.369 0.000 1.251 46 W CB -0.020 29.180 29.460 -0.433 0.000 1.136 46 W HN -0.084 nan 8.180 nan 0.000 0.526 47 K N -0.431 119.843 120.400 -0.210 0.000 2.098 47 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 47 K C 1.890 178.264 176.600 -0.378 0.000 1.051 47 K CA 1.490 57.525 56.287 -0.421 0.000 0.957 47 K CB -0.292 32.111 32.500 -0.162 0.000 0.738 47 K HN 0.254 nan 8.250 nan 0.000 0.447 48 L N -0.767 120.278 121.223 -0.296 0.000 2.515 48 L HA 0.116 4.456 4.340 -0.000 0.000 0.223 48 L C 0.212 176.734 176.870 -0.581 0.000 1.079 48 L CA 0.090 54.666 54.840 -0.439 0.000 0.857 48 L CB 0.479 42.245 42.059 -0.488 0.000 1.050 48 L HN 0.099 nan 8.230 nan 0.000 0.476 49 Y N -0.599 119.691 120.300 -0.018 0.000 2.658 49 Y HA 0.247 4.797 4.550 -0.000 0.000 0.273 49 Y C -1.615 174.332 175.900 0.079 0.000 0.992 49 Y CA -1.808 56.355 58.100 0.104 0.000 1.105 49 Y CB 0.001 38.669 38.460 0.347 0.000 1.188 49 Y HN -0.055 nan 8.280 nan 0.000 0.616 50 P HA -0.137 nan 4.420 nan 0.000 0.225 50 P C 0.609 177.965 177.300 0.094 0.000 1.148 50 P CA 1.448 64.543 63.100 -0.009 0.000 0.779 50 P CB 0.632 32.209 31.700 -0.205 0.000 0.780 51 E N -0.491 119.787 120.200 0.131 0.000 2.452 51 E HA 0.092 4.442 4.350 -0.000 0.000 0.197 51 E C 0.701 177.414 176.600 0.190 0.000 1.022 51 E CA -0.107 56.376 56.400 0.137 0.000 0.890 51 E CB 0.015 29.772 29.700 0.096 0.000 0.918 51 E HN 0.147 nan 8.360 nan 0.000 0.496 52 V N 2.852 122.930 119.914 0.272 0.000 2.715 52 V HA 0.019 4.139 4.120 -0.000 0.000 0.299 52 V C 0.351 176.611 176.094 0.276 0.000 1.054 52 V CA 0.059 62.517 62.300 0.263 0.000 1.077 52 V CB 0.947 32.965 31.823 0.324 0.000 0.972 52 V HN -0.020 nan 8.190 nan 0.000 0.484 53 D N 2.627 123.135 120.400 0.179 0.000 2.185 53 D HA 0.750 5.390 4.640 -0.000 0.000 0.247 53 D C -0.269 176.103 176.300 0.119 0.000 1.027 53 D CA -0.002 54.117 54.000 0.198 0.000 0.861 53 D CB 2.070 42.965 40.800 0.157 0.000 1.202 53 D HN 0.770 nan 8.370 nan 0.000 0.453 54 A N 1.287 124.227 122.820 0.199 0.000 2.488 54 A HA 0.541 4.861 4.320 -0.000 0.000 0.295 54 A C -0.446 177.276 177.584 0.229 0.000 1.045 54 A CA -0.685 51.392 52.037 0.067 0.000 0.703 54 A CB 1.393 20.308 19.000 -0.141 0.000 1.271 54 A HN 0.332 nan 8.150 nan 0.000 0.400 55 T N 1.864 116.468 114.554 0.084 0.000 2.875 55 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 55 T C -0.871 173.839 174.700 0.018 0.000 0.995 55 T CA 0.335 62.508 62.100 0.122 0.000 1.060 55 T CB 0.212 69.131 68.868 0.084 0.000 0.967 55 T HN 0.340 nan 8.240 nan 0.000 0.476 56 F N 1.264 121.289 119.950 0.125 0.000 2.507 56 F HA 0.518 5.045 4.527 -0.000 0.000 0.325 56 F C 0.436 176.338 175.800 0.169 0.000 1.116 56 F CA -0.703 57.419 58.000 0.203 0.000 0.930 56 F CB 2.017 41.208 39.000 0.318 0.000 1.146 56 F HN 0.423 nan 8.300 nan 0.000 0.447 57 S N 3.710 119.552 115.700 0.237 0.000 2.532 57 S HA 0.501 4.971 4.470 -0.000 0.000 0.299 57 S C -1.171 173.524 174.600 0.157 0.000 1.105 57 S CA -0.613 57.664 58.200 0.128 0.000 1.018 57 S CB 1.894 65.118 63.200 0.041 0.000 1.021 57 S HN 0.527 nan 8.310 nan 0.000 0.483 58 L N 4.189 125.489 121.223 0.129 0.000 2.367 58 L HA 0.577 4.917 4.340 -0.000 0.000 0.275 58 L C -1.206 175.716 176.870 0.087 0.000 1.129 58 L CA 0.375 55.293 54.840 0.130 0.000 0.839 58 L CB 0.002 42.125 42.059 0.107 0.000 1.133 58 L HN 0.620 nan 8.230 nan 0.000 0.453 59 I N 4.519 125.142 120.570 0.089 0.000 2.512 59 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 59 I C -0.818 175.338 176.117 0.065 0.000 1.069 59 I CA -0.705 60.635 61.300 0.065 0.000 1.056 59 I CB 1.841 39.872 38.000 0.051 0.000 1.229 59 I HN 0.565 nan 8.210 nan 0.000 0.429 60 N N 5.585 124.319 118.700 0.057 0.000 2.500 60 N HA 0.220 4.960 4.740 -0.000 0.000 0.236 60 N C 0.844 176.377 175.510 0.039 0.000 1.022 60 N CA -0.329 52.753 53.050 0.053 0.000 0.935 60 N CB 0.758 39.278 38.487 0.054 0.000 1.147 60 N HN 0.354 nan 8.380 nan 0.000 0.512 61 R N 1.382 121.905 120.500 0.039 0.000 2.189 61 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 61 R C 0.049 176.364 176.300 0.025 0.000 1.092 61 R CA 0.676 56.794 56.100 0.029 0.000 0.989 61 R CB -0.560 29.758 30.300 0.030 0.000 0.876 61 R HN 0.463 nan 8.270 nan 0.000 0.457 62 T N 2.834 117.406 114.554 0.029 0.000 4.098 62 T HA 0.079 4.429 4.350 -0.000 0.000 0.291 62 T C 1.301 176.012 174.700 0.018 0.000 1.440 62 T CA -0.160 61.954 62.100 0.024 0.000 1.164 62 T CB 0.297 69.182 68.868 0.028 0.000 1.313 62 T HN 0.294 nan 8.240 nan 0.000 0.951 63 K N 0.416 120.824 120.400 0.013 0.000 2.127 63 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 63 K C 1.360 177.961 176.600 0.003 0.000 1.047 63 K CA 1.113 57.404 56.287 0.006 0.000 0.927 63 K CB -0.610 31.892 32.500 0.003 0.000 0.716 63 K HN 0.396 nan 8.250 nan 0.000 0.450 64 T N 1.308 115.865 114.554 0.005 0.000 2.871 64 T HA 0.155 4.505 4.350 -0.000 0.000 0.296 64 T C -0.122 174.580 174.700 0.003 0.000 0.998 64 T CA 0.179 62.281 62.100 0.004 0.000 1.162 64 T CB -0.204 68.668 68.868 0.006 0.000 0.947 64 T HN 0.312 nan 8.240 nan 0.000 0.536 65 V N 1.800 121.713 119.914 -0.002 0.000 3.497 65 V HA -0.086 4.034 4.120 -0.000 0.000 0.484 65 V C 1.119 177.209 176.094 -0.006 0.000 0.682 65 V CA 0.600 62.898 62.300 -0.003 0.000 2.014 65 V CB -2.816 29.008 31.823 0.002 0.000 2.451 65 V HN 1.485 nan 8.190 nan 0.000 0.502 66 R N 4.071 124.562 120.500 -0.017 0.000 3.127 66 R HA 0.558 4.898 4.340 -0.000 0.000 0.290 66 R C 1.064 177.354 176.300 -0.016 0.000 1.089 66 R CA 1.225 57.307 56.100 -0.030 0.000 1.188 66 R CB 0.097 30.366 30.300 -0.051 0.000 1.175 66 R HN 1.308 nan 8.270 nan 0.000 0.550 67 L N -2.543 118.662 121.223 -0.029 0.000 2.966 67 L HA 0.349 4.689 4.340 -0.000 0.000 0.262 67 L C 1.965 178.847 176.870 0.020 0.000 1.068 67 L CA 1.422 56.280 54.840 0.029 0.000 1.004 67 L CB -0.344 41.765 42.059 0.083 0.000 1.629 67 L HN 0.806 nan 8.230 nan 0.000 0.542 68 A N -0.061 122.633 122.820 -0.210 0.000 2.261 68 A HA 0.024 4.344 4.320 -0.000 0.000 0.208 68 A C 1.317 178.811 177.584 -0.151 0.000 1.223 68 A CA 0.642 52.394 52.037 -0.474 0.000 0.833 68 A CB -0.389 18.134 19.000 -0.796 0.000 0.830 68 A HN 0.586 nan 8.150 nan 0.000 0.483 69 E N -1.148 119.018 120.200 -0.057 0.000 2.562 69 E HA 0.068 4.418 4.350 -0.000 0.000 0.214 69 E C 0.565 177.171 176.600 0.010 0.000 0.979 69 E CA 0.073 56.459 56.400 -0.023 0.000 1.002 69 E CB 0.446 30.126 29.700 -0.033 0.000 1.048 69 E HN 0.715 nan 8.360 nan 0.000 0.488 70 E N 0.117 120.340 120.200 0.038 0.000 2.541 70 E HA 0.146 4.496 4.350 -0.000 0.000 0.219 70 E C -0.119 176.517 176.600 0.060 0.000 0.922 70 E CA 0.109 56.532 56.400 0.038 0.000 1.095 70 E CB 1.451 31.169 29.700 0.029 0.000 1.112 70 E HN -0.000 nan 8.360 nan 0.000 0.516 71 I N 2.134 122.778 120.570 0.124 0.000 2.468 71 I HA 0.129 4.299 4.170 -0.000 0.000 0.285 71 I C -0.298 175.925 176.117 0.178 0.000 1.039 71 I CA -0.995 60.383 61.300 0.131 0.000 1.074 71 I CB 1.397 39.480 38.000 0.139 0.000 1.228 71 I HN -0.015 nan 8.210 nan 0.000 0.436 72 D N 5.389 125.847 120.400 0.096 0.000 2.458 72 D HA -0.067 4.573 4.640 -0.000 0.000 0.243 72 D C 1.050 177.419 176.300 0.115 0.000 1.146 72 D CA 0.343 54.403 54.000 0.099 0.000 0.877 72 D CB 1.641 42.471 40.800 0.050 0.000 1.176 72 D HN 0.729 nan 8.370 nan 0.000 0.461 73 E N 3.051 123.364 120.200 0.188 0.000 2.085 73 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 73 E C 1.743 178.369 176.600 0.044 0.000 0.994 73 E CA 1.199 57.699 56.400 0.166 0.000 0.801 73 E CB 0.128 29.974 29.700 0.243 0.000 0.743 73 E HN 0.527 nan 8.360 nan 0.000 0.453 74 M N 0.605 120.236 119.600 0.052 0.000 2.229 74 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 74 M C 1.860 178.169 176.300 0.016 0.000 1.063 74 M CA 1.337 56.658 55.300 0.035 0.000 1.114 74 M CB -0.772 31.850 32.600 0.037 0.000 1.387 74 M HN 0.167 nan 8.290 nan 0.000 0.420 75 E N 0.028 120.231 120.200 0.006 0.000 2.110 75 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 75 E C 1.988 178.569 176.600 -0.031 0.000 0.988 75 E CA 0.811 57.206 56.400 -0.008 0.000 0.804 75 E CB -0.174 29.521 29.700 -0.008 0.000 0.745 75 E HN 0.234 nan 8.360 nan 0.000 0.458 76 L N 1.036 122.214 121.223 -0.074 0.000 2.017 76 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 76 L C 2.171 178.978 176.870 -0.105 0.000 1.073 76 L CA 1.677 56.427 54.840 -0.149 0.000 0.745 76 L CB -0.175 41.687 42.059 -0.328 0.000 0.894 76 L HN -0.133 nan 8.230 nan 0.000 0.432 77 R N 0.132 120.609 120.500 -0.038 0.000 2.105 77 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 77 R C 2.218 178.571 176.300 0.087 0.000 1.135 77 R CA 1.522 57.660 56.100 0.063 0.000 0.967 77 R CB -0.490 29.873 30.300 0.106 0.000 0.861 77 R HN 0.520 nan 8.270 nan 0.000 0.442 78 E N -0.375 119.857 120.200 0.054 0.000 2.031 78 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 78 E C 1.996 178.648 176.600 0.087 0.000 0.994 78 E CA 1.123 57.562 56.400 0.064 0.000 0.800 78 E CB 0.040 29.758 29.700 0.029 0.000 0.752 78 E HN 0.251 nan 8.360 nan 0.000 0.447 79 Q N 0.345 120.176 119.800 0.052 0.000 2.050 79 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 79 Q C 2.481 178.563 176.000 0.136 0.000 0.980 79 Q CA 1.082 56.932 55.803 0.078 0.000 0.840 79 Q CB -0.403 28.352 28.738 0.028 0.000 0.898 79 Q HN 0.351 nan 8.270 nan 0.000 0.424 80 L N 0.916 122.188 121.223 0.081 0.000 2.042 80 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 80 L C 1.956 179.011 176.870 0.308 0.000 1.076 80 L CA 1.244 56.165 54.840 0.136 0.000 0.749 80 L CB -0.521 41.341 42.059 -0.328 0.000 0.893 80 L HN 0.120 nan 8.230 nan 0.000 0.432 81 D N -1.405 119.156 120.400 0.269 0.000 2.144 81 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 81 D C 2.033 178.442 176.300 0.183 0.000 0.978 81 D CA 0.997 55.161 54.000 0.274 0.000 0.833 81 D CB -0.215 40.714 40.800 0.216 0.000 0.961 81 D HN 0.386 nan 8.370 nan 0.000 0.470 82 H N 0.621 119.743 119.070 0.086 0.000 2.326 82 H HA -0.024 4.532 4.556 -0.000 0.000 0.301 82 H C 1.849 177.182 175.328 0.008 0.000 1.081 82 H CA 1.564 57.630 56.048 0.031 0.000 1.334 82 H CB 0.165 29.932 29.762 0.008 0.000 1.385 82 H HN 0.058 nan 8.280 nan 0.000 0.504 83 A N 1.658 124.452 122.820 -0.045 0.000 1.986 83 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 83 A C 2.466 179.902 177.584 -0.246 0.000 1.171 83 A CA 1.445 53.383 52.037 -0.165 0.000 0.640 83 A CB -0.538 18.428 19.000 -0.057 0.000 0.811 83 A HN 0.472 nan 8.150 nan 0.000 0.451 84 R N -0.614 119.834 120.500 -0.086 0.000 2.280 84 R HA -0.046 4.294 4.340 -0.000 0.000 0.207 84 R C 1.848 178.045 176.300 -0.171 0.000 1.043 84 R CA 1.371 57.414 56.100 -0.095 0.000 1.006 84 R CB -0.367 30.005 30.300 0.120 0.000 0.885 84 R HN 0.765 nan 8.270 nan 0.000 0.467 85 T N -1.903 112.516 114.554 -0.224 0.000 3.065 85 T HA 0.174 4.524 4.350 -0.000 0.000 0.252 85 T C 0.946 175.489 174.700 -0.261 0.000 1.099 85 T CA -0.128 61.838 62.100 -0.222 0.000 1.063 85 T CB 0.024 68.771 68.868 -0.202 0.000 0.948 85 T HN -0.031 nan 8.240 nan 0.000 0.506 86 L N 2.001 123.033 121.223 -0.318 0.000 2.483 86 L HA 0.387 4.727 4.340 -0.000 0.000 0.276 86 L C 0.642 177.373 176.870 -0.231 0.000 1.213 86 L CA -0.185 54.491 54.840 -0.273 0.000 0.843 86 L CB 0.227 42.118 42.059 -0.279 0.000 1.107 86 L HN 0.135 nan 8.230 nan 0.000 0.487 87 R N 2.471 122.859 120.500 -0.187 0.000 2.698 87 R HA 0.415 4.755 4.340 -0.000 0.000 0.275 87 R C -0.904 175.309 176.300 -0.145 0.000 1.001 87 R CA -1.039 54.958 56.100 -0.172 0.000 0.896 87 R CB 1.833 32.041 30.300 -0.153 0.000 1.218 87 R HN 0.534 nan 8.270 nan 0.000 0.462 88 L N 2.895 124.030 121.223 -0.147 0.000 2.584 88 L HA -0.019 4.321 4.340 -0.000 0.000 0.272 88 L C 0.942 177.752 176.870 -0.100 0.000 1.195 88 L CA 0.546 55.310 54.840 -0.127 0.000 0.920 88 L CB 0.447 42.416 42.059 -0.149 0.000 1.173 88 L HN 0.801 nan 8.230 nan 0.000 0.489 89 S N 4.188 119.840 115.700 -0.080 0.000 2.617 89 S HA 0.047 4.517 4.470 -0.000 0.000 0.259 89 S C 1.015 175.589 174.600 -0.044 0.000 1.301 89 S CA -0.349 57.813 58.200 -0.062 0.000 0.984 89 S CB 1.262 64.427 63.200 -0.057 0.000 0.954 89 S HN 0.754 nan 8.310 nan 0.000 0.572 90 K N 0.868 121.248 120.400 -0.033 0.000 2.026 90 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 90 K C 2.024 178.629 176.600 0.007 0.000 1.048 90 K CA 1.322 57.598 56.287 -0.017 0.000 0.929 90 K CB -0.317 32.174 32.500 -0.015 0.000 0.713 90 K HN 0.648 nan 8.250 nan 0.000 0.439 91 K N 0.504 120.909 120.400 0.008 0.000 2.097 91 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 91 K C 2.018 178.668 176.600 0.083 0.000 1.050 91 K CA 1.622 57.931 56.287 0.036 0.000 0.938 91 K CB 0.022 32.524 32.500 0.004 0.000 0.718 91 K HN 0.281 nan 8.250 nan 0.000 0.442 92 E N 0.636 120.862 120.200 0.044 0.000 2.072 92 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 92 E C 1.926 178.618 176.600 0.154 0.000 0.985 92 E CA 0.690 57.147 56.400 0.095 0.000 0.801 92 E CB -0.038 29.666 29.700 0.008 0.000 0.750 92 E HN 0.223 nan 8.360 nan 0.000 0.452 93 N N 1.328 120.063 118.700 0.059 0.000 2.069 93 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 93 N C 1.790 177.348 175.510 0.081 0.000 1.031 93 N CA 1.193 54.259 53.050 0.027 0.000 0.852 93 N CB -0.095 38.379 38.487 -0.020 0.000 1.018 93 N HN 0.149 nan 8.380 nan 0.000 0.423 94 I N -0.714 119.917 120.570 0.101 0.000 2.286 94 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 94 I C 2.204 178.425 176.117 0.174 0.000 1.115 94 I CA 0.869 62.236 61.300 0.112 0.000 1.392 94 I CB -0.291 37.767 38.000 0.096 0.000 1.065 94 I HN 0.276 nan 8.210 nan 0.000 0.418 95 W N 1.543 122.868 121.300 0.042 0.000 2.381 95 W HA -0.157 4.503 4.660 0.000 0.000 0.301 95 W C 2.213 178.833 176.519 0.169 0.000 1.205 95 W CA 1.344 58.732 57.345 0.072 0.000 1.285 95 W CB -0.268 29.228 29.460 0.060 0.000 1.133 95 W HN -0.039 nan 8.180 nan 0.000 0.521 96 L N 0.390 121.769 121.223 0.259 0.000 2.046 96 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 96 L C 2.676 179.695 176.870 0.247 0.000 1.077 96 L CA 1.481 56.437 54.840 0.193 0.000 0.747 96 L CB -1.307 40.763 42.059 0.017 0.000 0.896 96 L HN 0.087 nan 8.230 nan 0.000 0.432 97 A N -0.218 122.690 122.820 0.148 0.000 1.929 97 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 97 A C 2.251 179.883 177.584 0.079 0.000 1.176 97 A CA 1.624 53.745 52.037 0.141 0.000 0.628 97 A CB -0.798 18.255 19.000 0.089 0.000 0.816 97 A HN 0.440 nan 8.150 nan 0.000 0.444 98 G N -1.126 107.674 108.800 0.001 0.000 2.921 98 G HA2 0.128 4.088 3.960 -0.000 0.000 0.213 98 G HA3 0.128 4.088 3.960 -0.000 0.000 0.213 98 G C 0.543 175.329 174.900 -0.190 0.000 1.143 98 G CA 0.229 45.293 45.100 -0.060 0.000 0.764 98 G HN 0.476 nan 8.290 nan 0.000 0.542 99 N N 0.372 118.835 118.700 -0.395 0.000 2.445 99 N HA 0.316 5.056 4.740 -0.000 0.000 0.264 99 N C -0.462 174.626 175.510 -0.703 0.000 1.227 99 N CA 0.138 52.765 53.050 -0.706 0.000 0.963 99 N CB 0.836 38.469 38.487 -1.423 0.000 1.188 99 N HN -0.140 nan 8.380 nan 0.000 0.491 100 T N 2.513 116.652 114.554 -0.693 0.000 2.799 100 T HA 0.348 4.698 4.350 -0.000 0.000 0.286 100 T C 0.415 174.674 174.700 -0.736 0.000 0.973 100 T CA -0.171 61.635 62.100 -0.490 0.000 1.035 100 T CB 0.368 69.074 68.868 -0.271 0.000 0.932 100 T HN 0.383 nan 8.240 nan 0.000 0.469 101 F N 0.673 120.598 119.950 -0.042 0.000 2.389 101 F HA 0.286 4.813 4.527 -0.000 0.000 0.275 101 F C 0.773 176.643 175.800 0.116 0.000 1.009 101 F CA -0.031 57.980 58.000 0.020 0.000 1.187 101 F CB 0.264 39.369 39.000 0.176 0.000 1.139 101 F HN 0.469 nan 8.300 nan 0.000 0.613 102 Y N 0.719 121.112 120.300 0.154 0.000 2.696 102 Y HA 0.425 4.975 4.550 -0.000 0.000 0.378 102 Y C 0.914 176.832 175.900 0.030 0.000 1.012 102 Y CA -0.729 57.425 58.100 0.089 0.000 1.396 102 Y CB 0.590 39.118 38.460 0.114 0.000 1.415 102 Y HN 0.355 nan 8.280 nan 0.000 0.569 103 G N 0.836 109.662 108.800 0.043 0.000 2.184 103 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 103 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 103 G C 0.354 175.263 174.900 0.015 0.000 0.975 103 G CA -0.174 44.927 45.100 0.001 0.000 0.642 103 G HN 0.270 nan 8.290 nan 0.000 0.536 104 R N 0.005 120.536 120.500 0.051 0.000 2.832 104 R HA 0.727 5.067 4.340 -0.000 0.000 0.271 104 R C -0.469 175.846 176.300 0.024 0.000 0.996 104 R CA -0.481 55.641 56.100 0.036 0.000 0.977 104 R CB 1.649 31.982 30.300 0.054 0.000 1.168 104 R HN 0.152 nan 8.270 nan 0.000 0.482 105 S N 1.017 116.721 115.700 0.006 0.000 2.638 105 S HA 0.180 4.650 4.470 -0.000 0.000 0.298 105 S C -0.090 174.526 174.600 0.028 0.000 1.111 105 S CA -0.748 57.454 58.200 0.004 0.000 1.027 105 S CB 1.332 64.522 63.200 -0.017 0.000 1.064 105 S HN 0.544 nan 8.310 nan 0.000 0.525 106 Q N -0.028 119.806 119.800 0.057 0.000 2.457 106 Q HA -0.201 4.139 4.340 -0.000 0.000 0.283 106 Q C 0.880 176.892 176.000 0.020 0.000 1.234 106 Q CA 0.738 56.580 55.803 0.064 0.000 0.877 106 Q CB -1.874 26.883 28.738 0.032 0.000 1.250 106 Q HN 0.855 nan 8.270 nan 0.000 0.481 107 I N -4.194 116.367 120.570 -0.015 0.000 2.614 107 I HA -0.060 4.110 4.170 -0.000 0.000 0.258 107 I C 0.495 176.386 176.117 -0.377 0.000 1.189 107 I CA 1.058 62.233 61.300 -0.208 0.000 1.462 107 I CB -0.066 37.741 38.000 -0.321 0.000 1.092 107 I HN 0.025 nan 8.210 nan 0.000 0.442 108 F N 2.754 122.752 119.950 0.080 0.000 2.361 108 F HA 0.393 4.920 4.527 -0.000 0.000 0.364 108 F C 0.574 176.424 175.800 0.083 0.000 1.120 108 F CA -0.823 57.224 58.000 0.078 0.000 1.102 108 F CB 0.724 39.803 39.000 0.132 0.000 1.183 108 F HN -0.032 nan 8.300 nan 0.000 0.476 109 E N 5.671 126.000 120.200 0.216 0.000 2.414 109 E HA -0.031 4.319 4.350 -0.000 0.000 0.263 109 E C -1.430 175.261 176.600 0.153 0.000 1.000 109 E CA -1.231 55.262 56.400 0.154 0.000 0.914 109 E CB 0.576 30.368 29.700 0.153 0.000 0.948 109 E HN 0.350 nan 8.360 nan 0.000 0.444 110 P HA -0.229 nan 4.420 nan 0.000 0.216 110 P C 1.025 178.355 177.300 0.050 0.000 1.150 110 P CA 1.367 64.510 63.100 0.071 0.000 0.837 110 P CB 0.304 32.041 31.700 0.063 0.000 0.786 111 E N -1.190 119.068 120.200 0.096 0.000 2.077 111 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 111 E C 1.910 178.489 176.600 -0.035 0.000 0.989 111 E CA 0.761 57.242 56.400 0.135 0.000 0.800 111 E CB -0.438 29.453 29.700 0.319 0.000 0.746 111 E HN 0.121 nan 8.360 nan 0.000 0.452 112 F N 1.150 120.827 119.950 -0.456 0.000 2.186 112 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 112 F C 1.837 177.405 175.800 -0.388 0.000 1.090 112 F CA 1.108 58.508 58.000 -1.000 0.000 1.307 112 F CB -0.181 38.232 39.000 -0.979 0.000 1.019 112 F HN -0.038 nan 8.300 nan 0.000 0.489 113 L N -0.742 120.239 121.223 -0.404 0.000 2.141 113 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 113 L C 2.747 179.431 176.870 -0.310 0.000 1.094 113 L CA 1.355 55.961 54.840 -0.390 0.000 0.763 113 L CB -0.889 41.093 42.059 -0.128 0.000 0.908 113 L HN 0.259 nan 8.230 nan 0.000 0.437 114 S N -0.485 115.106 115.700 -0.183 0.000 2.368 114 S HA -0.252 4.218 4.470 -0.000 0.000 0.224 114 S C 1.754 176.287 174.600 -0.111 0.000 1.029 114 S CA 1.228 59.369 58.200 -0.098 0.000 0.988 114 S CB -0.389 62.811 63.200 -0.001 0.000 0.838 114 S HN 0.564 nan 8.310 nan 0.000 0.462 115 W N 1.559 122.679 121.300 -0.301 0.000 2.358 115 W HA -0.038 4.622 4.660 0.000 0.000 0.303 115 W C 1.791 178.120 176.519 -0.316 0.000 1.208 115 W CA 1.194 58.394 57.345 -0.243 0.000 1.274 115 W CB -0.640 28.656 29.460 -0.273 0.000 1.138 115 W HN 0.366 nan 8.180 nan 0.000 0.515 116 L N 1.586 122.453 121.223 -0.592 0.000 2.201 116 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 116 L C 2.657 179.232 176.870 -0.490 0.000 1.105 116 L CA 2.701 57.098 54.840 -0.739 0.000 0.775 116 L CB -1.379 40.229 42.059 -0.753 0.000 0.913 116 L HN 0.198 nan 8.230 nan 0.000 0.440 117 S N -1.302 114.179 115.700 -0.365 0.000 2.442 117 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 117 S C 1.920 176.374 174.600 -0.243 0.000 1.007 117 S CA 1.509 59.560 58.200 -0.248 0.000 0.965 117 S CB -0.599 62.497 63.200 -0.174 0.000 0.773 117 S HN 0.583 nan 8.310 nan 0.000 0.504 118 S N -1.308 114.207 115.700 -0.308 0.000 2.559 118 S HA 0.324 4.794 4.470 -0.000 0.000 0.226 118 S C 0.193 174.589 174.600 -0.341 0.000 1.000 118 S CA -0.638 57.399 58.200 -0.271 0.000 0.948 118 S CB -0.545 62.532 63.200 -0.205 0.000 0.870 118 S HN 0.466 nan 8.310 nan 0.000 0.497 119 Y N 2.890 122.810 120.300 -0.633 0.000 2.379 119 Y HA 0.468 5.018 4.550 -0.000 0.000 0.337 119 Y C 0.093 175.746 175.900 -0.411 0.000 1.238 119 Y CA 0.291 57.992 58.100 -0.664 0.000 1.405 119 Y CB 0.497 38.346 38.460 -1.019 0.000 1.310 119 Y HN 0.279 nan 8.280 nan 0.000 0.569 120 Q N 4.675 123.703 119.800 -1.286 0.000 2.320 120 Q HA 0.347 4.687 4.340 -0.000 0.000 0.272 120 Q C -1.440 173.872 176.000 -1.147 0.000 1.023 120 Q CA -0.938 54.301 55.803 -0.940 0.000 0.855 120 Q CB 2.146 30.595 28.738 -0.482 0.000 1.367 120 Q HN 0.719 nan 8.270 nan 0.000 0.406 121 L N 4.690 125.423 121.223 -0.816 0.000 2.601 121 L HA 0.068 4.407 4.340 -0.000 0.000 0.277 121 L C -1.775 174.992 176.870 -0.173 0.000 1.219 121 L CA -0.653 53.790 54.840 -0.662 0.000 0.915 121 L CB -0.254 41.173 42.059 -1.053 0.000 1.160 121 L HN 0.326 nan 8.230 nan 0.000 0.494 122 P HA 0.124 nan 4.420 nan 0.000 0.277 122 P C -0.539 177.087 177.300 0.543 0.000 1.271 122 P CA -0.675 62.614 63.100 0.316 0.000 0.795 122 P CB 0.657 32.556 31.700 0.332 0.000 1.101 123 E N -0.539 119.841 120.200 0.301 0.000 2.458 123 E HA 0.051 4.401 4.350 -0.000 0.000 0.264 123 E C -0.463 176.264 176.600 0.210 0.000 1.097 123 E CA 0.864 57.354 56.400 0.150 0.000 0.973 123 E CB -0.123 29.595 29.700 0.031 0.000 0.963 123 E HN 0.432 nan 8.360 nan 0.000 0.451 124 Y N -1.739 118.588 120.300 0.044 0.000 2.609 124 Y HA 0.513 5.063 4.550 -0.000 0.000 0.342 124 Y C -0.836 174.945 175.900 -0.199 0.000 1.058 124 Y CA -1.397 56.575 58.100 -0.213 0.000 1.055 124 Y CB 1.081 39.247 38.460 -0.491 0.000 1.292 124 Y HN 0.377 nan 8.280 nan 0.000 0.476 125 E N 2.009 122.152 120.200 -0.095 0.000 2.145 125 E HA 0.535 4.885 4.350 -0.000 0.000 0.270 125 E C -2.247 174.348 176.600 -0.007 0.000 0.906 125 E CA -0.856 55.521 56.400 -0.038 0.000 0.761 125 E CB 1.606 31.319 29.700 0.022 0.000 1.116 125 E HN 0.729 nan 8.360 nan 0.000 0.408 126 L N 5.347 126.617 121.223 0.079 0.000 2.408 126 L HA 0.844 5.184 4.340 -0.000 0.000 0.268 126 L C -1.602 175.324 176.870 0.093 0.000 0.986 126 L CA -0.255 54.632 54.840 0.079 0.000 0.820 126 L CB 1.593 43.729 42.059 0.129 0.000 1.303 126 L HN 0.554 nan 8.230 nan 0.000 0.411 127 F N 1.898 121.919 119.950 0.118 0.000 2.665 127 F HA 0.630 5.157 4.527 -0.000 0.000 0.308 127 F C -0.932 174.944 175.800 0.126 0.000 1.112 127 F CA -1.361 56.704 58.000 0.109 0.000 0.972 127 F CB 1.184 40.217 39.000 0.053 0.000 1.295 127 F HN 0.452 nan 8.300 nan 0.000 0.440 128 K N 1.472 121.909 120.400 0.061 0.000 2.144 128 K HA 0.851 5.171 4.320 -0.000 0.000 0.270 128 K C -0.030 176.527 176.600 -0.071 0.000 1.005 128 K CA -0.137 56.100 56.287 -0.082 0.000 0.932 128 K CB 1.536 33.957 32.500 -0.131 0.000 1.021 128 K HN 1.295 nan 8.250 nan 0.000 0.462 129 R N 1.888 122.322 120.500 -0.110 0.000 3.009 129 R HA 0.163 4.503 4.340 -0.000 0.000 0.278 129 R C -1.212 175.041 176.300 -0.078 0.000 1.515 129 R CA -0.840 55.219 56.100 -0.068 0.000 1.055 129 R CB -0.721 29.559 30.300 -0.033 0.000 1.345 129 R HN 0.822 nan 8.270 nan 0.000 0.421 130 D N 1.244 121.599 120.400 -0.076 0.000 2.737 130 D HA -0.131 4.509 4.640 -0.000 0.000 0.243 130 D C 1.082 177.329 176.300 -0.089 0.000 1.109 130 D CA 2.649 56.609 54.000 -0.067 0.000 0.702 130 D CB -1.492 39.281 40.800 -0.045 0.000 1.068 130 D HN 2.186 nan 8.370 nan 0.000 0.432 131 G N -0.704 108.018 108.800 -0.129 0.000 2.225 131 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 131 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 131 G C 0.080 174.866 174.900 -0.190 0.000 1.024 131 G CA 0.728 45.733 45.100 -0.158 0.000 0.784 131 G HN 0.496 nan 8.290 nan 0.000 0.507 132 Q N -1.513 118.155 119.800 -0.220 0.000 2.451 132 Q HA 0.591 4.931 4.340 -0.000 0.000 0.281 132 Q C -1.015 174.842 176.000 -0.239 0.000 1.099 132 Q CA -0.759 54.943 55.803 -0.168 0.000 0.806 132 Q CB 1.643 30.345 28.738 -0.059 0.000 1.419 132 Q HN 0.333 nan 8.270 nan 0.000 0.427 133 Y N 0.251 120.546 120.300 -0.009 0.000 2.360 133 Y HA 0.287 4.837 4.550 -0.000 0.000 0.337 133 Y C 0.195 176.079 175.900 -0.026 0.000 1.039 133 Y CA -0.501 57.588 58.100 -0.019 0.000 1.109 133 Y CB 1.725 40.170 38.460 -0.024 0.000 1.201 133 Y HN 0.375 nan 8.280 nan 0.000 0.458 134 E N 3.859 124.148 120.200 0.149 0.000 2.073 134 E HA 0.302 4.652 4.350 -0.000 0.000 0.269 134 E C -1.549 175.050 176.600 -0.002 0.000 0.917 134 E CA -0.676 55.757 56.400 0.054 0.000 0.757 134 E CB 1.307 31.027 29.700 0.034 0.000 1.111 134 E HN 0.281 nan 8.360 nan 0.000 0.410 135 L N 4.543 125.720 121.223 -0.075 0.000 2.343 135 L HA 0.425 4.765 4.340 -0.000 0.000 0.278 135 L C -1.284 175.323 176.870 -0.438 0.000 0.996 135 L CA -0.372 54.303 54.840 -0.275 0.000 0.831 135 L CB 0.872 42.775 42.059 -0.259 0.000 1.232 135 L HN 0.352 nan 8.230 nan 0.000 0.413 136 N N 4.723 123.052 118.700 -0.618 0.000 2.240 136 N HA 0.524 5.264 4.740 -0.000 0.000 0.302 136 N C -1.632 173.285 175.510 -0.988 0.000 1.106 136 N CA -0.209 52.462 53.050 -0.632 0.000 0.778 136 N CB 2.003 40.285 38.487 -0.341 0.000 1.431 136 N HN 0.308 nan 8.380 nan 0.000 0.479 137 F N 1.199 120.996 119.950 -0.255 0.000 2.496 137 F HA 0.346 4.873 4.527 -0.000 0.000 0.341 137 F C 0.552 176.284 175.800 -0.115 0.000 1.134 137 F CA -0.733 57.188 58.000 -0.131 0.000 0.968 137 F CB 1.008 39.991 39.000 -0.028 0.000 1.205 137 F HN 0.194 nan 8.300 nan 0.000 0.436 138 H N 1.300 120.546 119.070 0.295 0.000 2.525 138 H HA 0.852 5.408 4.556 -0.000 0.000 0.340 138 H C 0.516 176.017 175.328 0.288 0.000 1.168 138 H CA -0.465 55.736 56.048 0.255 0.000 1.247 138 H CB 1.922 31.773 29.762 0.148 0.000 1.568 138 H HN 0.852 nan 8.280 nan 0.000 0.536 139 G N 0.762 109.800 108.800 0.396 0.000 2.334 139 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.315 139 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.315 139 G C -0.991 174.118 174.900 0.349 0.000 1.284 139 G CA -1.132 44.171 45.100 0.338 0.000 0.985 139 G HN 0.399 nan 8.290 nan 0.000 0.504 140 R N -0.453 120.249 120.500 0.336 0.000 2.585 140 R HA 0.056 4.396 4.340 -0.000 0.000 0.275 140 R C 1.268 177.851 176.300 0.472 0.000 1.018 140 R CA -0.067 56.248 56.100 0.359 0.000 1.072 140 R CB 0.096 30.588 30.300 0.320 0.000 0.953 140 R HN 0.689 nan 8.270 nan 0.000 0.419 141 W N 5.516 126.971 121.300 0.258 0.000 2.325 141 W HA -0.269 4.391 4.660 -0.000 0.000 0.299 141 W C 1.815 178.501 176.519 0.277 0.000 1.215 141 W CA 1.960 59.482 57.345 0.295 0.000 1.244 141 W CB -0.231 29.367 29.460 0.230 0.000 1.140 141 W HN 0.690 nan 8.180 nan 0.000 0.523 142 M N -1.629 118.155 119.600 0.306 0.000 2.476 142 M HA -0.034 4.446 4.480 -0.000 0.000 0.262 142 M C 0.756 177.233 176.300 0.295 0.000 1.079 142 M CA 1.980 57.359 55.300 0.131 0.000 1.104 142 M CB -0.600 32.018 32.600 0.030 0.000 1.409 142 M HN -0.231 nan 8.290 nan 0.000 0.467 143 D N 0.787 121.441 120.400 0.423 0.000 2.367 143 D HA 0.026 4.666 4.640 -0.000 0.000 0.207 143 D C 1.945 178.522 176.300 0.463 0.000 1.034 143 D CA 1.529 55.859 54.000 0.549 0.000 0.861 143 D CB 0.365 41.481 40.800 0.527 0.000 0.943 143 D HN 0.611 nan 8.370 nan 0.000 0.515 144 T N -2.998 111.793 114.554 0.397 0.000 3.000 144 T HA -0.026 4.324 4.350 -0.000 0.000 0.248 144 T C 1.924 176.546 174.700 -0.130 0.000 1.034 144 T CA 0.643 62.938 62.100 0.325 0.000 1.060 144 T CB 0.103 69.286 68.868 0.525 0.000 0.983 144 T HN -0.145 nan 8.240 nan 0.000 0.482 145 T N 1.907 116.391 114.554 -0.117 0.000 2.737 145 T HA 0.036 4.386 4.350 -0.000 0.000 0.269 145 T C 1.703 176.174 174.700 -0.381 0.000 1.040 145 T CA 1.102 62.948 62.100 -0.423 0.000 1.142 145 T CB -0.719 68.139 68.868 -0.015 0.000 0.861 145 T HN 0.416 nan 8.240 nan 0.000 0.456 146 L N -1.106 119.983 121.223 -0.224 0.000 2.456 146 L HA 0.038 4.378 4.340 -0.000 0.000 0.224 146 L C 2.084 178.794 176.870 -0.268 0.000 1.148 146 L CA 0.628 55.331 54.840 -0.227 0.000 0.825 146 L CB -0.399 41.540 42.059 -0.200 0.000 0.937 146 L HN 0.449 nan 8.230 nan 0.000 0.450 147 W N 0.890 121.941 121.300 -0.415 0.000 2.467 147 W HA -0.166 4.494 4.660 -0.000 0.000 0.275 147 W C 2.504 178.671 176.519 -0.586 0.000 1.239 147 W CA 0.729 57.700 57.345 -0.624 0.000 1.266 147 W CB 0.242 29.004 29.460 -1.164 0.000 1.112 147 W HN 0.206 nan 8.180 nan 0.000 0.576 148 E N 0.570 120.644 120.200 -0.210 0.000 2.035 148 E HA -0.298 4.052 4.350 -0.000 0.000 0.204 148 E C 1.905 178.540 176.600 0.058 0.000 1.025 148 E CA 2.211 58.590 56.400 -0.035 0.000 0.835 148 E CB -0.325 29.400 29.700 0.041 0.000 0.764 148 E HN 0.061 nan 8.360 nan 0.000 0.457 149 I N 0.739 121.327 120.570 0.030 0.000 2.142 149 I HA -0.163 4.007 4.170 -0.000 0.000 0.240 149 I C -0.533 175.628 176.117 0.073 0.000 1.078 149 I CA 1.099 62.438 61.300 0.064 0.000 1.343 149 I CB -2.522 35.491 38.000 0.021 0.000 1.046 149 I HN 0.146 nan 8.210 nan 0.000 0.405 150 P HA -0.165 nan 4.420 nan 0.000 0.216 150 P C 1.728 179.125 177.300 0.161 0.000 1.153 150 P CA 2.280 65.421 63.100 0.070 0.000 0.858 150 P CB -0.020 31.663 31.700 -0.028 0.000 0.789 151 A N -0.846 122.106 122.820 0.220 0.000 1.902 151 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 151 A C 2.219 179.876 177.584 0.122 0.000 1.181 151 A CA 1.472 53.620 52.037 0.185 0.000 0.623 151 A CB -1.635 17.463 19.000 0.163 0.000 0.818 151 A HN 0.122 nan 8.150 nan 0.000 0.443 152 L N -0.698 120.600 121.223 0.125 0.000 2.141 152 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 152 L C 2.816 179.746 176.870 0.099 0.000 1.094 152 L CA 1.169 56.077 54.840 0.115 0.000 0.763 152 L CB -0.355 41.785 42.059 0.134 0.000 0.908 152 L HN 0.328 nan 8.230 nan 0.000 0.437 153 S N 0.186 115.949 115.700 0.104 0.000 2.345 153 S HA -0.112 4.358 4.470 -0.000 0.000 0.220 153 S C 1.965 176.609 174.600 0.072 0.000 1.031 153 S CA 1.165 59.424 58.200 0.099 0.000 0.996 153 S CB -0.179 63.085 63.200 0.107 0.000 0.882 153 S HN 0.269 nan 8.310 nan 0.000 0.445 154 I N 1.226 121.837 120.570 0.068 0.000 2.208 154 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 154 I C 1.994 178.116 176.117 0.008 0.000 1.097 154 I CA 1.263 62.586 61.300 0.039 0.000 1.363 154 I CB -0.373 37.655 38.000 0.045 0.000 1.051 154 I HN 0.271 nan 8.210 nan 0.000 0.413 155 I N 0.430 121.007 120.570 0.013 0.000 2.252 155 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 155 I C 2.165 178.284 176.117 0.004 0.000 1.102 155 I CA 1.562 62.861 61.300 -0.001 0.000 1.385 155 I CB -0.485 37.525 38.000 0.017 0.000 1.064 155 I HN 0.296 nan 8.210 nan 0.000 0.414 156 N N 0.375 119.087 118.700 0.020 0.000 2.058 156 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 156 N C 1.805 177.283 175.510 -0.053 0.000 1.037 156 N CA 1.179 54.230 53.050 0.002 0.000 0.848 156 N CB -0.058 38.452 38.487 0.039 0.000 1.021 156 N HN 0.323 nan 8.380 nan 0.000 0.422 157 E N 0.971 121.149 120.200 -0.035 0.000 2.268 157 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 157 E C 1.884 178.432 176.600 -0.086 0.000 0.995 157 E CA 0.371 56.725 56.400 -0.077 0.000 0.836 157 E CB 0.130 29.826 29.700 -0.007 0.000 0.763 157 E HN 0.323 nan 8.360 nan 0.000 0.491 158 L N 0.299 121.490 121.223 -0.053 0.000 2.156 158 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 158 L C 2.795 179.632 176.870 -0.055 0.000 1.095 158 L CA 0.540 55.352 54.840 -0.047 0.000 0.770 158 L CB -0.284 41.754 42.059 -0.035 0.000 0.914 158 L HN 0.115 nan 8.230 nan 0.000 0.439 159 R N 0.493 120.957 120.500 -0.061 0.000 2.062 159 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 159 R C 2.448 178.679 176.300 -0.115 0.000 1.128 159 R CA 2.047 58.110 56.100 -0.061 0.000 0.960 159 R CB -0.497 29.776 30.300 -0.044 0.000 0.855 159 R HN 0.456 nan 8.270 nan 0.000 0.432 160 S N 0.675 116.256 115.700 -0.197 0.000 2.348 160 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 160 S C 2.187 176.655 174.600 -0.220 0.000 1.033 160 S CA 0.881 58.887 58.200 -0.323 0.000 1.010 160 S CB -0.460 62.319 63.200 -0.701 0.000 0.891 160 S HN 0.324 nan 8.310 nan 0.000 0.442 161 R N 0.879 121.281 120.500 -0.163 0.000 2.097 161 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 161 R C 2.895 179.158 176.300 -0.061 0.000 1.135 161 R CA 1.624 57.673 56.100 -0.085 0.000 0.934 161 R CB -1.027 29.240 30.300 -0.055 0.000 0.846 161 R HN 0.518 nan 8.270 nan 0.000 0.431 162 S N 0.013 115.681 115.700 -0.054 0.000 2.380 162 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 162 S C 1.944 176.520 174.600 -0.040 0.000 1.043 162 S CA 1.442 59.621 58.200 -0.035 0.000 1.038 162 S CB -0.204 62.981 63.200 -0.024 0.000 0.872 162 S HN 0.495 nan 8.310 nan 0.000 0.456 163 A N 1.519 124.303 122.820 -0.060 0.000 1.845 163 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 163 A C 2.122 179.674 177.584 -0.054 0.000 1.195 163 A CA 1.782 53.783 52.037 -0.060 0.000 0.616 163 A CB -0.726 18.223 19.000 -0.084 0.000 0.832 163 A HN 0.632 nan 8.150 nan 0.000 0.443 164 M N -0.277 119.285 119.600 -0.063 0.000 2.700 164 M HA -0.095 4.385 4.480 -0.000 0.000 0.249 164 M C 2.422 178.709 176.300 -0.021 0.000 1.082 164 M CA 0.888 56.161 55.300 -0.044 0.000 1.077 164 M CB -0.657 31.922 32.600 -0.035 0.000 1.477 164 M HN 0.560 nan 8.290 nan 0.000 0.529 165 R N 0.940 121.426 120.500 -0.022 0.000 2.112 165 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 165 R C 2.326 178.621 176.300 -0.008 0.000 1.137 165 R CA 2.641 58.734 56.100 -0.012 0.000 0.944 165 R CB -2.083 28.209 30.300 -0.013 0.000 0.857 165 R HN 0.641 nan 8.270 nan 0.000 0.435 166 S N 0.315 116.008 115.700 -0.012 0.000 2.356 166 S HA 0.393 4.863 4.470 -0.000 0.000 0.223 166 S C 1.874 176.469 174.600 -0.009 0.000 1.032 166 S CA 1.599 59.793 58.200 -0.010 0.000 1.005 166 S CB -1.169 62.024 63.200 -0.012 0.000 0.867 166 S HN 1.682 nan 8.310 nan 0.000 0.449 167 L N 1.475 122.690 121.223 -0.013 0.000 2.714 167 L HA 0.425 4.765 4.340 -0.000 0.000 0.301 167 L C 0.914 177.784 176.870 -0.001 0.000 1.248 167 L CA 0.333 55.166 54.840 -0.012 0.000 0.885 167 L CB -1.300 40.747 42.059 -0.021 0.000 1.143 167 L HN 0.704 nan 8.230 nan 0.000 0.500 168 G N -0.302 108.497 108.800 -0.001 0.000 2.434 168 G HA2 0.583 4.543 3.960 -0.000 0.000 0.330 168 G HA3 0.583 4.543 3.960 -0.000 0.000 0.330 168 G C 0.855 175.763 174.900 0.012 0.000 1.155 168 G CA 0.448 45.551 45.100 0.005 0.000 0.917 168 G HN 2.033 nan 8.290 nan 0.000 0.493 169 Y N -0.880 119.430 120.300 0.017 0.000 2.108 169 Y HA -0.169 4.381 4.550 -0.000 0.000 0.274 169 Y C 3.096 179.010 175.900 0.023 0.000 1.229 169 Y CA 3.382 61.496 58.100 0.025 0.000 1.129 169 Y CB -1.339 37.133 38.460 0.019 0.000 0.946 169 Y HN 0.984 nan 8.280 nan 0.000 0.509 170 F N -0.303 119.654 119.950 0.012 0.000 2.075 170 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 170 F C 2.880 178.681 175.800 0.002 0.000 1.113 170 F CA 3.593 61.597 58.000 0.007 0.000 1.218 170 F CB -1.609 37.391 39.000 0.001 0.000 0.984 170 F HN 0.677 nan 8.300 nan 0.000 0.472 171 T N -0.023 114.528 114.554 -0.005 0.000 2.665 171 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 171 T C 1.928 176.612 174.700 -0.027 0.000 1.035 171 T CA 1.935 64.023 62.100 -0.020 0.000 1.151 171 T CB -0.678 68.176 68.868 -0.023 0.000 0.862 171 T HN 0.275 nan 8.240 nan 0.000 0.438 172 L N 1.424 122.648 121.223 0.002 0.000 2.042 172 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 172 L C 2.407 179.325 176.870 0.080 0.000 1.076 172 L CA 1.958 56.819 54.840 0.035 0.000 0.749 172 L CB -1.357 40.783 42.059 0.134 0.000 0.893 172 L HN 0.461 nan 8.230 nan 0.000 0.432 173 D N -0.645 119.795 120.400 0.066 0.000 2.117 173 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 173 D C 2.198 178.507 176.300 0.014 0.000 0.987 173 D CA 0.894 54.928 54.000 0.058 0.000 0.829 173 D CB 0.313 41.130 40.800 0.029 0.000 0.961 173 D HN 0.071 nan 8.370 nan 0.000 0.460 174 V N 0.357 120.260 119.914 -0.019 0.000 2.379 174 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 174 V C 2.385 178.424 176.094 -0.091 0.000 1.044 174 V CA 1.141 63.414 62.300 -0.045 0.000 1.036 174 V CB -0.485 31.313 31.823 -0.041 0.000 0.664 174 V HN 0.263 nan 8.190 nan 0.000 0.453 175 L N -0.279 120.864 121.223 -0.134 0.000 1.989 175 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 175 L C 2.287 178.931 176.870 -0.376 0.000 1.071 175 L CA 2.178 56.868 54.840 -0.250 0.000 0.749 175 L CB -0.835 41.032 42.059 -0.320 0.000 0.890 175 L HN 0.365 nan 8.230 nan 0.000 0.431 176 Y N -0.784 119.404 120.300 -0.188 0.000 2.314 176 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 176 Y C 2.474 178.197 175.900 -0.295 0.000 1.129 176 Y CA 0.955 58.861 58.100 -0.323 0.000 1.201 176 Y CB -0.496 37.829 38.460 -0.226 0.000 0.999 176 Y HN 0.329 nan 8.280 nan 0.000 0.541 177 A N 0.601 123.387 122.820 -0.056 0.000 1.902 177 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 177 A C 2.159 179.690 177.584 -0.089 0.000 1.181 177 A CA 1.647 53.643 52.037 -0.068 0.000 0.623 177 A CB -0.498 18.478 19.000 -0.039 0.000 0.818 177 A HN 0.393 nan 8.150 nan 0.000 0.443 178 R N -0.559 119.869 120.500 -0.119 0.000 2.115 178 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 178 R C 2.378 178.582 176.300 -0.160 0.000 1.111 178 R CA 1.038 57.071 56.100 -0.112 0.000 0.976 178 R CB -0.384 29.848 30.300 -0.113 0.000 0.870 178 R HN 0.508 nan 8.270 nan 0.000 0.445 179 A N 1.518 124.145 122.820 -0.322 0.000 1.929 179 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 179 A C 1.818 179.374 177.584 -0.048 0.000 1.176 179 A CA 1.127 52.887 52.037 -0.462 0.000 0.628 179 A CB -0.123 18.076 19.000 -1.335 0.000 0.816 179 A HN 0.169 nan 8.150 nan 0.000 0.444 180 K N -0.176 120.214 120.400 -0.018 0.000 2.097 180 K HA -0.000 4.320 4.320 -0.000 0.000 0.205 180 K C 2.270 179.001 176.600 0.218 0.000 1.050 180 K CA 1.021 57.291 56.287 -0.028 0.000 0.938 180 K CB -0.272 32.008 32.500 -0.367 0.000 0.718 180 K HN 0.421 nan 8.250 nan 0.000 0.442 181 A N 1.855 124.744 122.820 0.115 0.000 1.898 181 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 181 A C 2.054 179.745 177.584 0.179 0.000 1.181 181 A CA 1.419 53.553 52.037 0.161 0.000 0.620 181 A CB -0.296 18.749 19.000 0.075 0.000 0.819 181 A HN 0.172 nan 8.150 nan 0.000 0.442 182 K N -1.193 119.267 120.400 0.101 0.000 2.097 182 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 182 K C 2.139 178.827 176.600 0.147 0.000 1.049 182 K CA 1.447 57.787 56.287 0.088 0.000 0.933 182 K CB -0.197 32.309 32.500 0.010 0.000 0.717 182 K HN 0.428 nan 8.250 nan 0.000 0.442 183 M N 0.225 119.948 119.600 0.205 0.000 2.077 183 M HA -0.210 4.269 4.480 -0.000 0.000 0.261 183 M C 1.832 178.287 176.300 0.258 0.000 1.070 183 M CA 1.532 56.974 55.300 0.236 0.000 1.125 183 M CB -0.935 31.879 32.600 0.358 0.000 1.339 183 M HN 0.398 nan 8.290 nan 0.000 0.409 184 W N 1.625 123.036 121.300 0.185 0.000 2.392 184 W HA -0.204 4.456 4.660 -0.000 0.000 0.279 184 W C 1.555 178.134 176.519 0.099 0.000 1.225 184 W CA 1.423 58.849 57.345 0.134 0.000 1.233 184 W CB -0.186 29.361 29.460 0.145 0.000 1.122 184 W HN 0.427 nan 8.180 nan 0.000 0.561 185 E N 0.199 120.491 120.200 0.153 0.000 2.072 185 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 185 E C 2.071 178.655 176.600 -0.026 0.000 0.985 185 E CA 1.465 57.905 56.400 0.065 0.000 0.801 185 E CB -0.182 29.577 29.700 0.099 0.000 0.750 185 E HN 0.204 nan 8.360 nan 0.000 0.452 186 K N 0.349 120.770 120.400 0.035 0.000 2.152 186 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 186 K C 2.098 178.654 176.600 -0.073 0.000 1.048 186 K CA 1.051 57.376 56.287 0.064 0.000 0.933 186 K CB -0.045 32.645 32.500 0.317 0.000 0.721 186 K HN 0.001 nan 8.250 nan 0.000 0.447 187 V N 1.940 121.723 119.914 -0.220 0.000 2.358 187 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 187 V C 2.140 177.967 176.094 -0.444 0.000 1.047 187 V CA 1.654 63.683 62.300 -0.451 0.000 1.035 187 V CB -0.354 30.867 31.823 -1.004 0.000 0.658 187 V HN 0.281 nan 8.190 nan 0.000 0.452 188 E N 0.212 120.156 120.200 -0.428 0.000 2.153 188 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 188 E C 2.367 178.873 176.600 -0.158 0.000 0.988 188 E CA 1.064 57.321 56.400 -0.237 0.000 0.811 188 E CB -0.233 29.401 29.700 -0.110 0.000 0.746 188 E HN 0.591 nan 8.360 nan 0.000 0.466 189 R N 0.163 120.571 120.500 -0.153 0.000 2.062 189 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 189 R C 2.665 178.858 176.300 -0.177 0.000 1.128 189 R CA 0.713 56.734 56.100 -0.131 0.000 0.960 189 R CB -0.343 29.890 30.300 -0.111 0.000 0.855 189 R HN 0.134 nan 8.270 nan 0.000 0.432 190 L N 0.196 121.276 121.223 -0.238 0.000 2.141 190 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 190 L C 2.569 179.292 176.870 -0.245 0.000 1.094 190 L CA 1.014 55.676 54.840 -0.296 0.000 0.763 190 L CB -0.346 41.492 42.059 -0.368 0.000 0.908 190 L HN 0.121 nan 8.230 nan 0.000 0.437 191 R N 0.486 120.860 120.500 -0.211 0.000 2.249 191 R HA -0.178 4.162 4.340 -0.000 0.000 0.230 191 R C 1.671 177.899 176.300 -0.119 0.000 1.121 191 R CA 1.091 57.096 56.100 -0.160 0.000 0.997 191 R CB -0.031 30.179 30.300 -0.149 0.000 0.867 191 R HN 0.463 nan 8.270 nan 0.000 0.465 192 E N -0.452 119.676 120.200 -0.121 0.000 2.502 192 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 192 E C -0.616 175.936 176.600 -0.080 0.000 1.062 192 E CA 0.220 56.572 56.400 -0.081 0.000 0.867 192 E CB 0.370 30.030 29.700 -0.066 0.000 0.888 192 E HN 0.061 nan 8.360 nan 0.000 0.510 193 L N 0.611 121.744 121.223 -0.149 0.000 2.445 193 L HA 0.247 4.587 4.340 -0.000 0.000 0.252 193 L C -1.986 174.766 176.870 -0.195 0.000 1.105 193 L CA -1.721 53.005 54.840 -0.190 0.000 0.943 193 L CB 1.258 43.037 42.059 -0.466 0.000 1.277 193 L HN -0.189 nan 8.230 nan 0.000 0.465 194 P HA -0.147 nan 4.420 nan 0.000 0.216 194 P C 1.549 178.839 177.300 -0.018 0.000 1.153 194 P CA 1.275 64.353 63.100 -0.037 0.000 0.858 194 P CB 0.380 32.084 31.700 0.007 0.000 0.789 195 G N -0.954 107.880 108.800 0.058 0.000 2.625 195 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.214 195 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.214 195 G C 0.474 175.426 174.900 0.086 0.000 1.132 195 G CA -0.179 45.014 45.100 0.155 0.000 0.782 195 G HN 0.220 nan 8.290 nan 0.000 0.538 196 L N 1.055 122.139 121.223 -0.232 0.000 2.485 196 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 196 L C -0.211 176.636 176.870 -0.038 0.000 1.207 196 L CA 0.002 54.647 54.840 -0.325 0.000 0.855 196 L CB 0.539 42.262 42.059 -0.559 0.000 1.114 196 L HN -0.055 nan 8.230 nan 0.000 0.485 197 R N 6.666 127.235 120.500 0.115 0.000 2.483 197 R HA 0.552 4.892 4.340 -0.000 0.000 0.303 197 R C -1.217 175.229 176.300 0.243 0.000 0.987 197 R CA -0.479 55.715 56.100 0.157 0.000 0.881 197 R CB 1.403 31.805 30.300 0.169 0.000 1.177 197 R HN 0.801 nan 8.270 nan 0.000 0.451 198 I N 0.943 121.629 120.570 0.193 0.000 2.769 198 I HA 0.512 4.682 4.170 -0.000 0.000 0.298 198 I C -0.743 175.561 176.117 0.312 0.000 1.128 198 I CA -0.361 61.100 61.300 0.269 0.000 1.031 198 I CB 2.318 40.406 38.000 0.148 0.000 1.235 198 I HN 0.741 nan 8.210 nan 0.000 0.423 199 S N 2.867 118.804 115.700 0.395 0.000 2.627 199 S HA 0.504 4.974 4.470 -0.000 0.000 0.283 199 S C -1.247 173.727 174.600 0.623 0.000 1.127 199 S CA -0.869 57.559 58.200 0.379 0.000 0.863 199 S CB 1.726 65.096 63.200 0.282 0.000 1.121 199 S HN 0.655 nan 8.310 nan 0.000 0.479 200 D N -0.504 120.217 120.400 0.535 0.000 2.264 200 D HA 0.446 5.086 4.640 -0.000 0.000 0.250 200 D C -1.024 175.461 176.300 0.308 0.000 1.113 200 D CA -0.333 53.942 54.000 0.458 0.000 0.871 200 D CB 0.308 41.308 40.800 0.333 0.000 1.167 200 D HN 0.422 nan 8.370 nan 0.000 0.447 201 F N 1.894 122.000 119.950 0.260 0.000 2.815 201 F HA 0.356 4.883 4.527 -0.000 0.000 0.335 201 F C 1.433 177.360 175.800 0.211 0.000 1.179 201 F CA -0.619 57.526 58.000 0.241 0.000 1.204 201 F CB 1.381 40.528 39.000 0.245 0.000 1.050 201 F HN 0.560 nan 8.300 nan 0.000 0.510 202 G N -0.557 108.406 108.800 0.271 0.000 3.448 202 G HA2 0.041 4.001 3.960 -0.000 0.000 0.261 202 G HA3 0.041 4.001 3.960 -0.000 0.000 0.261 202 G C 1.264 176.277 174.900 0.187 0.000 1.173 202 G CA 0.417 45.647 45.100 0.216 0.000 0.835 202 G HN 0.217 nan 8.290 nan 0.000 0.534 203 T N 0.433 115.091 114.554 0.174 0.000 2.674 203 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 203 T C 2.376 177.182 174.700 0.176 0.000 1.039 203 T CA 1.230 63.427 62.100 0.162 0.000 1.150 203 T CB -0.125 68.826 68.868 0.138 0.000 0.864 203 T HN 0.414 nan 8.240 nan 0.000 0.427 204 R N 1.608 122.223 120.500 0.193 0.000 2.119 204 R HA -0.160 4.180 4.340 -0.000 0.000 0.246 204 R C 1.820 178.223 176.300 0.172 0.000 1.146 204 R CA 1.665 57.879 56.100 0.190 0.000 0.962 204 R CB -0.035 30.401 30.300 0.227 0.000 0.863 204 R HN 0.458 nan 8.270 nan 0.000 0.442 205 R N 0.600 121.208 120.500 0.180 0.000 2.629 205 R HA 0.156 4.496 4.340 -0.000 0.000 0.386 205 R C -0.467 175.943 176.300 0.183 0.000 1.071 205 R CA -0.517 55.682 56.100 0.165 0.000 1.104 205 R CB 0.052 30.451 30.300 0.163 0.000 1.370 205 R HN 0.129 nan 8.270 nan 0.000 0.574 206 R N 0.883 121.504 120.500 0.201 0.000 2.698 206 R HA -0.042 4.298 4.340 -0.000 0.000 0.266 206 R C 0.519 176.976 176.300 0.262 0.000 1.026 206 R CA 0.067 56.324 56.100 0.261 0.000 1.102 206 R CB 0.262 30.712 30.300 0.251 0.000 0.978 206 R HN 0.188 nan 8.270 nan 0.000 0.436 207 H N 1.283 120.501 119.070 0.246 0.000 2.491 207 H HA -0.057 4.499 4.556 -0.000 0.000 0.290 207 H C -0.415 174.967 175.328 0.090 0.000 1.050 207 H CA 1.381 57.463 56.048 0.057 0.000 1.309 207 H CB 0.275 29.957 29.762 -0.132 0.000 1.392 207 H HN 0.775 nan 8.280 nan 0.000 0.554 208 S N -2.166 113.750 115.700 0.361 0.000 2.712 208 S HA -0.020 4.450 4.470 -0.000 0.000 0.279 208 S C 0.135 174.953 174.600 0.364 0.000 1.025 208 S CA -0.227 58.154 58.200 0.301 0.000 0.861 208 S CB -0.691 62.685 63.200 0.294 0.000 1.091 208 S HN 0.049 nan 8.310 nan 0.000 0.457 209 F N 1.692 121.745 119.950 0.173 0.000 2.043 209 F HA 0.005 4.532 4.527 -0.000 0.000 0.297 209 F C 1.976 177.874 175.800 0.163 0.000 1.121 209 F CA 2.224 60.308 58.000 0.140 0.000 1.199 209 F CB -0.508 38.543 39.000 0.085 0.000 0.968 209 F HN 0.628 nan 8.300 nan 0.000 0.478 210 L N -0.683 120.673 121.223 0.221 0.000 2.043 210 L HA -0.301 4.039 4.340 -0.000 0.000 0.212 210 L C 2.555 179.505 176.870 0.133 0.000 1.075 210 L CA 1.765 56.671 54.840 0.109 0.000 0.752 210 L CB -0.974 41.197 42.059 0.188 0.000 0.891 210 L HN 0.539 nan 8.230 nan 0.000 0.432 211 W N 1.030 122.379 121.300 0.081 0.000 2.388 211 W HA -0.227 4.433 4.660 -0.000 0.000 0.294 211 W C 2.425 179.033 176.519 0.149 0.000 1.212 211 W CA 1.585 59.022 57.345 0.154 0.000 1.271 211 W CB -0.050 29.588 29.460 0.297 0.000 1.126 211 W HN 0.318 nan 8.180 nan 0.000 0.535 212 Q N 0.634 120.451 119.800 0.029 0.000 2.084 212 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 212 Q C 2.525 178.376 176.000 -0.249 0.000 0.978 212 Q CA 1.419 57.145 55.803 -0.128 0.000 0.844 212 Q CB -0.486 28.215 28.738 -0.061 0.000 0.898 212 Q HN 0.113 nan 8.270 nan 0.000 0.426 213 R N -0.386 119.927 120.500 -0.312 0.000 2.083 213 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 213 R C 1.929 178.094 176.300 -0.225 0.000 1.137 213 R CA 1.877 57.791 56.100 -0.310 0.000 0.951 213 R CB -0.640 29.433 30.300 -0.378 0.000 0.851 213 R HN 0.487 nan 8.270 nan 0.000 0.434 214 W N 0.612 121.701 121.300 -0.351 0.000 2.358 214 W HA -0.245 4.415 4.660 -0.000 0.000 0.303 214 W C 2.274 178.517 176.519 -0.459 0.000 1.208 214 W CA 1.358 58.480 57.345 -0.370 0.000 1.274 214 W CB -0.501 28.714 29.460 -0.408 0.000 1.138 214 W HN 0.094 nan 8.180 nan 0.000 0.515 215 C N -0.578 118.474 119.300 -0.414 0.000 2.413 215 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 215 C C 2.774 177.452 174.990 -0.520 0.000 1.236 215 C CA 1.295 60.006 59.018 -0.512 0.000 1.735 215 C CB -1.416 26.041 27.740 -0.470 0.000 2.031 215 C HN 0.252 nan 8.230 nan 0.000 0.474 216 V N 0.868 120.546 119.914 -0.393 0.000 2.343 216 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 216 V C 2.518 178.336 176.094 -0.459 0.000 1.051 216 V CA 2.435 64.524 62.300 -0.351 0.000 1.036 216 V CB -0.691 31.049 31.823 -0.139 0.000 0.654 216 V HN 0.565 nan 8.190 nan 0.000 0.451 217 E N 0.732 120.669 120.200 -0.440 0.000 2.110 217 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 217 E C 2.076 178.379 176.600 -0.495 0.000 0.988 217 E CA 1.587 57.740 56.400 -0.413 0.000 0.804 217 E CB -0.431 29.029 29.700 -0.401 0.000 0.745 217 E HN 0.522 nan 8.360 nan 0.000 0.458 218 A N 0.351 122.744 122.820 -0.712 0.000 1.969 218 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 218 A C 2.250 179.632 177.584 -0.337 0.000 1.169 218 A CA 1.108 52.817 52.037 -0.547 0.000 0.635 218 A CB -0.568 17.901 19.000 -0.887 0.000 0.810 218 A HN 0.343 nan 8.150 nan 0.000 0.445 219 L N 0.012 120.921 121.223 -0.525 0.000 1.988 219 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 219 L C 2.773 179.304 176.870 -0.566 0.000 1.071 219 L CA 2.053 56.531 54.840 -0.604 0.000 0.744 219 L CB -0.494 40.966 42.059 -0.999 0.000 0.893 219 L HN 0.561 nan 8.230 nan 0.000 0.433 220 K N -0.102 119.894 120.400 -0.674 0.000 2.103 220 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 220 K C 1.892 178.443 176.600 -0.081 0.000 1.048 220 K CA 1.837 58.012 56.287 -0.186 0.000 0.930 220 K CB -0.342 32.162 32.500 0.007 0.000 0.716 220 K HN 0.113 nan 8.250 nan 0.000 0.444 221 E N 1.139 121.272 120.200 -0.112 0.000 2.106 221 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 221 E C 2.022 178.666 176.600 0.074 0.000 0.984 221 E CA 1.576 57.966 56.400 -0.017 0.000 0.806 221 E CB -0.301 29.376 29.700 -0.037 0.000 0.750 221 E HN 0.483 nan 8.360 nan 0.000 0.458 222 G N 0.227 109.052 108.800 0.041 0.000 2.603 222 G HA2 0.016 3.976 3.960 -0.000 0.000 0.214 222 G HA3 0.016 3.976 3.960 -0.000 0.000 0.214 222 G C 1.354 176.188 174.900 -0.110 0.000 1.140 222 G CA 0.662 45.752 45.100 -0.017 0.000 0.800 222 G HN 0.432 nan 8.290 nan 0.000 0.533 223 I N -3.668 116.847 120.570 -0.092 0.000 4.310 223 I HA 0.464 4.634 4.170 -0.000 0.000 0.328 223 I C 1.314 177.436 176.117 0.009 0.000 1.406 223 I CA 0.113 61.377 61.300 -0.061 0.000 1.174 223 I CB 0.334 38.283 38.000 -0.084 0.000 1.279 223 I HN 0.160 nan 8.210 nan 0.000 0.471 224 G N 3.808 112.627 108.800 0.032 0.000 2.698 224 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.337 224 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.337 224 G C -0.660 174.301 174.900 0.102 0.000 1.286 224 G CA 1.049 46.188 45.100 0.065 0.000 1.000 224 G HN 0.364 nan 8.290 nan 0.000 0.547 225 P HA -0.107 nan 4.420 nan 0.000 0.218 225 P C 1.751 179.085 177.300 0.057 0.000 1.146 225 P CA 2.918 66.049 63.100 0.050 0.000 0.820 225 P CB -0.466 31.252 31.700 0.029 0.000 0.778 226 A N -0.909 121.949 122.820 0.064 0.000 2.067 226 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 226 A C 1.020 178.682 177.584 0.130 0.000 1.158 226 A CA 0.309 52.380 52.037 0.057 0.000 0.661 226 A CB -1.243 17.757 19.000 -0.000 0.000 0.801 226 A HN 0.231 nan 8.150 nan 0.000 0.452 227 F N 1.909 121.858 119.950 -0.000 0.000 2.375 227 F HA 0.363 4.890 4.527 0.000 0.000 0.362 227 F C 1.352 177.171 175.800 0.032 0.000 1.129 227 F CA -0.081 57.934 58.000 0.026 0.000 1.154 227 F CB 0.953 39.962 39.000 0.015 0.000 1.205 227 F HN 0.040 nan 8.300 nan 0.000 0.513 228 T N 1.910 116.214 114.554 -0.415 0.000 3.107 228 T HA 0.575 4.925 4.350 -0.000 0.000 0.249 228 T C 0.754 175.096 174.700 -0.596 0.000 1.096 228 T CA 0.242 62.106 62.100 -0.393 0.000 1.012 228 T CB -0.674 68.096 68.868 -0.164 0.000 0.977 228 T HN 1.149 nan 8.240 nan 0.000 0.527 229 G N -0.160 107.884 108.800 -1.260 0.000 2.315 229 G HA2 0.309 4.269 3.960 -0.000 0.000 0.296 229 G HA3 0.309 4.269 3.960 -0.000 0.000 0.296 229 G C -0.943 173.687 174.900 -0.449 0.000 1.289 229 G CA -0.377 44.238 45.100 -0.808 0.000 0.996 229 G HN 0.571 nan 8.290 nan 0.000 0.487 230 T N -1.652 112.827 114.554 -0.124 0.000 2.906 230 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 230 T C 1.559 176.197 174.700 -0.105 0.000 1.061 230 T CA 0.950 63.044 62.100 -0.009 0.000 1.000 230 T CB 1.435 70.361 68.868 0.096 0.000 1.103 230 T HN 1.923 nan 8.240 nan 0.000 0.486 231 S N 2.928 118.475 115.700 -0.256 0.000 2.527 231 S HA 0.057 4.527 4.470 -0.000 0.000 0.222 231 S C 0.832 175.414 174.600 -0.030 0.000 0.985 231 S CA -0.110 57.928 58.200 -0.271 0.000 0.921 231 S CB -0.307 62.428 63.200 -0.775 0.000 0.772 231 S HN 0.702 nan 8.310 nan 0.000 0.529 232 N N 2.120 120.816 118.700 -0.006 0.000 2.399 232 N HA 0.096 4.836 4.740 -0.000 0.000 0.259 232 N C 1.064 176.623 175.510 0.082 0.000 1.160 232 N CA 0.045 53.129 53.050 0.057 0.000 0.946 232 N CB 1.299 39.824 38.487 0.064 0.000 1.156 232 N HN 0.075 nan 8.380 nan 0.000 0.489 233 V N 4.653 124.644 119.914 0.129 0.000 2.332 233 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 233 V C 2.367 178.486 176.094 0.042 0.000 1.055 233 V CA 1.271 63.678 62.300 0.178 0.000 1.038 233 V CB -0.622 31.363 31.823 0.271 0.000 0.651 233 V HN 0.607 nan 8.190 nan 0.000 0.450 234 L N -0.311 120.923 121.223 0.018 0.000 2.017 234 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 234 L C 2.216 179.052 176.870 -0.058 0.000 1.073 234 L CA 1.889 56.700 54.840 -0.049 0.000 0.745 234 L CB -0.480 41.612 42.059 0.055 0.000 0.894 234 L HN 0.201 nan 8.230 nan 0.000 0.432 235 L N -0.758 120.478 121.223 0.022 0.000 2.093 235 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 235 L C 2.647 179.500 176.870 -0.029 0.000 1.085 235 L CA 1.021 55.856 54.840 -0.007 0.000 0.755 235 L CB -0.866 41.184 42.059 -0.015 0.000 0.904 235 L HN 0.404 nan 8.230 nan 0.000 0.435 236 A N -0.317 122.500 122.820 -0.005 0.000 1.898 236 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 236 A C 2.325 179.895 177.584 -0.024 0.000 1.181 236 A CA 1.709 53.773 52.037 0.046 0.000 0.620 236 A CB -0.435 18.655 19.000 0.149 0.000 0.819 236 A HN 0.396 nan 8.150 nan 0.000 0.442 237 M N -0.427 118.950 119.600 -0.373 0.000 2.067 237 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 237 M C 1.290 177.331 176.300 -0.432 0.000 1.069 237 M CA 2.287 57.034 55.300 -0.921 0.000 1.117 237 M CB -0.336 31.202 32.600 -1.770 0.000 1.334 237 M HN 0.315 nan 8.290 nan 0.000 0.407 238 D N 0.325 120.554 120.400 -0.286 0.000 2.149 238 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 238 D C 1.714 177.965 176.300 -0.081 0.000 0.990 238 D CA 1.856 55.766 54.000 -0.150 0.000 0.839 238 D CB -0.140 40.614 40.800 -0.077 0.000 0.948 238 D HN 0.517 nan 8.370 nan 0.000 0.460 239 S N -0.449 115.219 115.700 -0.054 0.000 2.602 239 S HA 0.093 4.563 4.470 -0.000 0.000 0.240 239 S C -0.267 174.340 174.600 0.012 0.000 0.992 239 S CA -0.488 57.702 58.200 -0.018 0.000 0.971 239 S CB 0.419 63.611 63.200 -0.013 0.000 0.855 239 S HN -0.092 nan 8.310 nan 0.000 0.481 240 D N 1.204 121.618 120.400 0.022 0.000 2.697 240 D HA -0.123 4.517 4.640 -0.000 0.000 0.238 240 D C -0.484 175.847 176.300 0.051 0.000 1.152 240 D CA 0.749 54.786 54.000 0.062 0.000 0.666 240 D CB -1.596 39.231 40.800 0.046 0.000 1.037 240 D HN 0.502 nan 8.370 nan 0.000 0.423 241 L N -0.125 121.132 121.223 0.056 0.000 2.313 241 L HA 0.360 4.700 4.340 -0.000 0.000 0.268 241 L C 1.016 177.881 176.870 -0.009 0.000 1.010 241 L CA -1.061 53.788 54.840 0.016 0.000 0.814 241 L CB 1.217 43.301 42.059 0.042 0.000 1.304 241 L HN -0.221 nan 8.230 nan 0.000 0.441 242 E N 1.406 121.548 120.200 -0.098 0.000 2.344 242 E HA 0.270 4.620 4.350 -0.000 0.000 0.270 242 E C -0.332 176.194 176.600 -0.123 0.000 1.021 242 E CA -0.217 56.102 56.400 -0.134 0.000 0.887 242 E CB 1.534 31.106 29.700 -0.213 0.000 0.997 242 E HN 0.561 nan 8.360 nan 0.000 0.429 243 A N 3.208 125.958 122.820 -0.118 0.000 2.450 243 A HA 0.364 4.684 4.320 -0.000 0.000 0.255 243 A C -0.056 177.404 177.584 -0.208 0.000 1.096 243 A CA -0.426 51.471 52.037 -0.234 0.000 0.778 243 A CB 0.455 19.108 19.000 -0.578 0.000 1.031 243 A HN 0.338 nan 8.150 nan 0.000 0.494 244 V N 1.459 121.370 119.914 -0.005 0.000 2.769 244 V HA 0.908 5.028 4.120 -0.000 0.000 0.312 244 V C 0.524 176.899 176.094 0.468 0.000 1.061 244 V CA 0.420 62.877 62.300 0.262 0.000 0.931 244 V CB 1.481 33.388 31.823 0.140 0.000 1.010 244 V HN 1.934 nan 8.190 nan 0.000 0.433 245 G N 2.049 111.290 108.800 0.735 0.000 2.316 245 G HA2 0.386 4.346 3.960 -0.000 0.000 0.468 245 G HA3 0.386 4.346 3.960 -0.000 0.000 0.468 245 G C -0.288 174.840 174.900 0.381 0.000 1.523 245 G CA 0.317 45.795 45.100 0.630 0.000 0.972 245 G HN 1.053 nan 8.290 nan 0.000 0.667 246 T N -1.894 112.788 114.554 0.213 0.000 3.426 246 T HA 0.520 4.870 4.350 -0.000 0.000 0.195 246 T C 0.641 175.296 174.700 -0.074 0.000 0.963 246 T CA 0.829 62.949 62.100 0.035 0.000 1.154 246 T CB 0.263 69.072 68.868 -0.098 0.000 1.377 246 T HN 1.489 nan 8.240 nan 0.000 0.342 247 N N 0.656 119.141 118.700 -0.357 0.000 2.732 247 N HA 0.640 5.380 4.740 -0.000 0.000 0.259 247 N C -1.253 173.983 175.510 -0.456 0.000 1.402 247 N CA -0.969 51.849 53.050 -0.388 0.000 0.829 247 N CB 2.101 40.111 38.487 -0.795 0.000 1.495 247 N HN 0.720 nan 8.380 nan 0.000 0.511 248 A N -0.195 122.401 122.820 -0.373 0.000 2.389 248 A HA 0.463 4.783 4.320 -0.000 0.000 0.293 248 A C 0.023 177.406 177.584 -0.335 0.000 1.186 248 A CA -0.557 51.211 52.037 -0.449 0.000 0.828 248 A CB 0.348 19.104 19.000 -0.408 0.000 1.369 248 A HN 0.854 nan 8.150 nan 0.000 0.446 249 H N -0.585 118.385 119.070 -0.168 0.000 2.518 249 H HA -0.079 4.477 4.556 -0.000 0.000 0.289 249 H C 1.710 176.996 175.328 -0.069 0.000 1.051 249 H CA 1.468 57.411 56.048 -0.175 0.000 1.280 249 H CB 0.271 29.906 29.762 -0.212 0.000 1.380 249 H HN 0.851 nan 8.280 nan 0.000 0.566 250 E N 0.888 121.169 120.200 0.136 0.000 2.086 250 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 250 E C 1.810 178.556 176.600 0.244 0.000 1.012 250 E CA 1.163 57.699 56.400 0.228 0.000 0.812 250 E CB -0.105 29.856 29.700 0.436 0.000 0.743 250 E HN 0.423 nan 8.360 nan 0.000 0.453 251 L N 0.372 121.746 121.223 0.251 0.000 1.956 251 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 251 L C -0.788 176.182 176.870 0.165 0.000 1.073 251 L CA 2.272 57.281 54.840 0.283 0.000 0.762 251 L CB -1.022 41.140 42.059 0.171 0.000 0.889 251 L HN 0.231 nan 8.230 nan 0.000 0.433 252 P HA -0.165 nan 4.420 nan 0.000 0.217 252 P C 1.786 179.233 177.300 0.245 0.000 1.150 252 P CA 1.562 64.741 63.100 0.132 0.000 0.832 252 P CB -0.047 31.620 31.700 -0.056 0.000 0.787 253 M N -1.303 118.369 119.600 0.120 0.000 2.080 253 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 253 M C 1.949 178.264 176.300 0.024 0.000 1.068 253 M CA 1.710 57.083 55.300 0.123 0.000 1.109 253 M CB -1.019 31.573 32.600 -0.014 0.000 1.342 253 M HN -0.183 nan 8.290 nan 0.000 0.405 254 V N -0.662 119.174 119.914 -0.130 0.000 2.302 254 V HA -0.164 3.956 4.120 -0.000 0.000 0.243 254 V C 2.283 178.223 176.094 -0.257 0.000 1.036 254 V CA 1.346 63.427 62.300 -0.364 0.000 1.020 254 V CB -0.383 30.883 31.823 -0.929 0.000 0.657 254 V HN 0.252 nan 8.190 nan 0.000 0.453 255 V N 0.538 120.357 119.914 -0.157 0.000 2.469 255 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 255 V C 2.627 178.724 176.094 0.004 0.000 1.064 255 V CA 1.921 64.173 62.300 -0.080 0.000 1.066 255 V CB -1.078 30.772 31.823 0.045 0.000 0.667 255 V HN 0.554 nan 8.190 nan 0.000 0.461 256 A N -0.048 122.816 122.820 0.074 0.000 1.897 256 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 256 A C 2.372 179.979 177.584 0.038 0.000 1.181 256 A CA 1.626 53.697 52.037 0.058 0.000 0.620 256 A CB -0.604 18.480 19.000 0.140 0.000 0.821 256 A HN 0.553 nan 8.150 nan 0.000 0.443 257 A N -0.514 122.335 122.820 0.049 0.000 2.066 257 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 257 A C 1.979 179.539 177.584 -0.041 0.000 1.157 257 A CA 1.045 53.093 52.037 0.019 0.000 0.670 257 A CB -0.466 18.509 19.000 -0.042 0.000 0.804 257 A HN 0.463 nan 8.150 nan 0.000 0.453 258 L N -0.649 120.535 121.223 -0.064 0.000 2.313 258 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 258 L C 1.573 178.424 176.870 -0.031 0.000 1.119 258 L CA 0.083 54.893 54.840 -0.050 0.000 0.809 258 L CB -0.502 41.527 42.059 -0.050 0.000 0.933 258 L HN 0.386 nan 8.230 nan 0.000 0.449 259 A N 0.068 122.858 122.820 -0.050 0.000 2.520 259 A HA 0.054 4.373 4.320 -0.000 0.000 0.245 259 A C 0.900 178.423 177.584 -0.101 0.000 1.072 259 A CA -0.026 51.965 52.037 -0.077 0.000 0.761 259 A CB 0.403 19.321 19.000 -0.136 0.000 1.004 259 A HN 0.250 nan 8.150 nan 0.000 0.499 260 Q N 0.593 120.342 119.800 -0.085 0.000 2.396 260 Q HA 0.072 4.412 4.340 -0.000 0.000 0.220 260 Q C 0.793 176.724 176.000 -0.116 0.000 0.900 260 Q CA 1.382 57.135 55.803 -0.084 0.000 0.925 260 Q CB 0.219 28.928 28.738 -0.047 0.000 1.065 260 Q HN 0.964 nan 8.270 nan 0.000 0.535 261 T N -3.203 111.275 114.554 -0.127 0.000 2.926 261 T HA 0.375 4.725 4.350 -0.000 0.000 0.289 261 T C 0.717 175.291 174.700 -0.211 0.000 1.054 261 T CA -0.656 61.361 62.100 -0.138 0.000 1.015 261 T CB 1.384 70.206 68.868 -0.076 0.000 1.167 261 T HN -0.040 nan 8.240 nan 0.000 0.526 262 N N 0.191 118.774 118.700 -0.195 0.000 2.104 262 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 262 N C 1.817 177.297 175.510 -0.050 0.000 1.024 262 N CA 1.321 54.253 53.050 -0.197 0.000 0.853 262 N CB -0.079 38.425 38.487 0.028 0.000 1.008 262 N HN 0.838 nan 8.380 nan 0.000 0.424 263 E N 1.247 121.438 120.200 -0.016 0.000 2.085 263 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 263 E C 1.448 178.060 176.600 0.020 0.000 0.994 263 E CA 1.262 57.676 56.400 0.023 0.000 0.801 263 E CB 0.140 29.851 29.700 0.018 0.000 0.743 263 E HN 0.414 nan 8.360 nan 0.000 0.453 264 E N -0.023 120.160 120.200 -0.028 0.000 2.107 264 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 264 E C 2.081 178.651 176.600 -0.051 0.000 0.982 264 E CA 0.606 56.995 56.400 -0.018 0.000 0.809 264 E CB -0.031 29.648 29.700 -0.033 0.000 0.756 264 E HN 0.198 nan 8.360 nan 0.000 0.459 265 L N 0.957 122.069 121.223 -0.185 0.000 2.093 265 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 265 L C 2.146 178.985 176.870 -0.052 0.000 1.085 265 L CA 1.761 56.423 54.840 -0.297 0.000 0.755 265 L CB -0.555 41.009 42.059 -0.825 0.000 0.904 265 L HN 0.027 nan 8.230 nan 0.000 0.435 266 A N -0.682 122.181 122.820 0.071 0.000 1.930 266 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 266 A C 2.375 180.093 177.584 0.223 0.000 1.175 266 A CA 1.494 53.665 52.037 0.223 0.000 0.627 266 A CB -0.925 18.193 19.000 0.197 0.000 0.815 266 A HN 0.523 nan 8.150 nan 0.000 0.443 267 A N -0.359 122.566 122.820 0.175 0.000 2.016 267 A HA 0.343 4.663 4.320 -0.000 0.000 0.217 267 A C 2.391 180.071 177.584 0.161 0.000 1.162 267 A CA 1.416 53.589 52.037 0.227 0.000 0.662 267 A CB -0.817 18.296 19.000 0.190 0.000 0.812 267 A HN 0.999 nan 8.150 nan 0.000 0.450 268 A N 0.841 123.727 122.820 0.110 0.000 1.958 268 A HA -0.133 4.187 4.320 -0.000 0.000 0.221 268 A C 0.132 177.771 177.584 0.092 0.000 1.178 268 A CA 2.126 54.231 52.037 0.113 0.000 0.642 268 A CB -1.657 17.397 19.000 0.090 0.000 0.816 268 A HN 0.469 nan 8.150 nan 0.000 0.453 269 P HA -0.098 nan 4.420 nan 0.000 0.221 269 P C 0.598 177.789 177.300 -0.181 0.000 1.150 269 P CA 1.037 64.063 63.100 -0.124 0.000 0.800 269 P CB -0.104 31.426 31.700 -0.284 0.000 0.787 270 Y N -1.234 119.177 120.300 0.185 0.000 2.476 270 Y HA 0.063 4.613 4.550 -0.000 0.000 0.283 270 Y C 2.542 178.620 175.900 0.296 0.000 1.109 270 Y CA 0.179 58.378 58.100 0.165 0.000 1.246 270 Y CB -1.178 37.310 38.460 0.048 0.000 1.068 270 Y HN -0.096 nan 8.280 nan 0.000 0.552 271 Q N 1.421 121.425 119.800 0.341 0.000 2.124 271 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 271 Q C 2.262 178.457 176.000 0.326 0.000 0.977 271 Q CA 2.227 58.218 55.803 0.315 0.000 0.850 271 Q CB -0.618 28.272 28.738 0.253 0.000 0.901 271 Q HN 0.427 nan 8.270 nan 0.000 0.429 272 V N -1.684 118.405 119.914 0.292 0.000 2.490 272 V HA -0.194 3.925 4.120 -0.000 0.000 0.250 272 V C 2.126 178.445 176.094 0.376 0.000 1.061 272 V CA 1.784 64.270 62.300 0.310 0.000 1.064 272 V CB -0.809 31.138 31.823 0.208 0.000 0.670 272 V HN 0.353 nan 8.190 nan 0.000 0.461 273 L N -0.412 121.029 121.223 0.362 0.000 2.056 273 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 273 L C 2.900 180.162 176.870 0.653 0.000 1.078 273 L CA 2.036 57.164 54.840 0.479 0.000 0.749 273 L CB -0.638 41.557 42.059 0.227 0.000 0.901 273 L HN 0.291 nan 8.230 nan 0.000 0.433 274 K N 0.033 120.713 120.400 0.466 0.000 2.026 274 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 274 K C 1.750 178.498 176.600 0.245 0.000 1.048 274 K CA 1.597 58.049 56.287 0.275 0.000 0.929 274 K CB -0.183 32.426 32.500 0.183 0.000 0.713 274 K HN 0.283 nan 8.250 nan 0.000 0.439 275 D N 0.206 120.776 120.400 0.283 0.000 2.117 275 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 275 D C 1.559 178.000 176.300 0.236 0.000 0.987 275 D CA 0.792 54.924 54.000 0.220 0.000 0.829 275 D CB -0.359 40.627 40.800 0.309 0.000 0.961 275 D HN 0.384 nan 8.370 nan 0.000 0.460 276 W N 1.882 123.308 121.300 0.210 0.000 2.358 276 W HA -0.170 4.490 4.660 -0.000 0.000 0.303 276 W C 1.694 178.300 176.519 0.145 0.000 1.208 276 W CA 0.985 58.471 57.345 0.235 0.000 1.274 276 W CB -0.201 29.484 29.460 0.375 0.000 1.138 276 W HN -0.064 nan 8.180 nan 0.000 0.515 277 N N 0.760 119.640 118.700 0.299 0.000 2.459 277 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 277 N C 1.797 177.230 175.510 -0.129 0.000 1.046 277 N CA 0.855 53.930 53.050 0.042 0.000 0.904 277 N CB -0.392 38.189 38.487 0.156 0.000 0.964 277 N HN 0.102 nan 8.380 nan 0.000 0.444 278 R N -0.650 119.768 120.500 -0.136 0.000 2.189 278 R HA 0.031 4.371 4.340 -0.000 0.000 0.218 278 R C 0.872 176.963 176.300 -0.348 0.000 1.074 278 R CA 0.750 56.731 56.100 -0.198 0.000 0.991 278 R CB 0.111 30.319 30.300 -0.155 0.000 0.883 278 R HN 0.257 nan 8.270 nan 0.000 0.457 279 L N -1.885 118.984 121.223 -0.591 0.000 2.609 279 L HA 0.159 4.499 4.340 -0.000 0.000 0.230 279 L C -0.301 175.904 176.870 -1.109 0.000 1.064 279 L CA 0.447 54.707 54.840 -0.967 0.000 0.873 279 L CB 0.323 41.478 42.059 -1.505 0.000 1.139 279 L HN -0.084 nan 8.230 nan 0.000 0.490 280 Y N -1.132 118.850 120.300 -0.530 0.000 2.545 280 Y HA 0.770 5.320 4.550 0.000 0.000 0.348 280 Y C 0.544 176.222 175.900 -0.370 0.000 1.002 280 Y CA -1.279 56.507 58.100 -0.522 0.000 1.039 280 Y CB 1.438 39.397 38.460 -0.836 0.000 1.271 280 Y HN -0.156 nan 8.280 nan 0.000 0.467 281 G N -0.850 107.894 108.800 -0.094 0.000 3.021 281 G HA2 0.560 4.520 3.960 -0.000 0.000 0.290 281 G HA3 0.560 4.520 3.960 -0.000 0.000 0.290 281 G C 0.174 175.032 174.900 -0.070 0.000 1.291 281 G CA -0.240 44.786 45.100 -0.124 0.000 0.834 281 G HN 1.216 nan 8.290 nan 0.000 0.564 282 G N 0.201 108.964 108.800 -0.061 0.000 2.611 282 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.301 282 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.301 282 G C 0.995 175.918 174.900 0.037 0.000 1.233 282 G CA 0.883 45.983 45.100 -0.000 0.000 0.993 282 G HN 0.950 nan 8.290 nan 0.000 0.553 283 N N 0.450 119.230 118.700 0.133 0.000 2.550 283 N HA 0.139 4.879 4.740 -0.000 0.000 0.186 283 N C 2.065 177.711 175.510 0.227 0.000 1.110 283 N CA 0.327 53.515 53.050 0.230 0.000 0.912 283 N CB -0.072 38.620 38.487 0.343 0.000 0.968 283 N HN 0.409 nan 8.380 nan 0.000 0.448 284 L N 0.523 121.784 121.223 0.064 0.000 2.554 284 L HA 0.085 4.425 4.340 -0.000 0.000 0.226 284 L C 0.267 177.251 176.870 0.190 0.000 1.137 284 L CA 0.165 54.976 54.840 -0.048 0.000 0.863 284 L CB 0.064 42.014 42.059 -0.181 0.000 0.985 284 L HN 0.197 nan 8.230 nan 0.000 0.451 285 L N 2.260 123.511 121.223 0.047 0.000 2.391 285 L HA 0.193 4.533 4.340 -0.000 0.000 0.249 285 L C -0.434 176.619 176.870 0.305 0.000 1.308 285 L CA -0.008 54.758 54.840 -0.124 0.000 1.209 285 L CB -0.101 41.553 42.059 -0.676 0.000 1.401 285 L HN 0.066 nan 8.230 nan 0.000 0.416 286 I N 1.834 122.605 120.570 0.335 0.000 2.406 286 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 286 I C 0.218 176.367 176.117 0.054 0.000 0.999 286 I CA -0.597 60.834 61.300 0.217 0.000 1.124 286 I CB 2.067 40.106 38.000 0.066 0.000 1.289 286 I HN -0.071 nan 8.210 nan 0.000 0.441 287 V N 6.859 126.647 119.914 -0.210 0.000 2.498 287 V HA 0.233 4.353 4.120 -0.000 0.000 0.279 287 V C -0.039 175.619 176.094 -0.728 0.000 1.048 287 V CA -0.604 61.277 62.300 -0.699 0.000 0.967 287 V CB 1.787 32.722 31.823 -1.479 0.000 0.988 287 V HN 0.446 nan 8.190 nan 0.000 0.473 288 L N 9.188 129.993 121.223 -0.695 0.000 2.313 288 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 288 L C -1.676 174.727 176.870 -0.778 0.000 1.028 288 L CA -1.157 53.300 54.840 -0.639 0.000 0.871 288 L CB 1.511 43.181 42.059 -0.649 0.000 1.242 288 L HN 0.447 nan 8.230 nan 0.000 0.434 289 P HA 0.112 nan 4.420 nan 0.000 0.275 289 P C 0.119 177.037 177.300 -0.637 0.000 1.310 289 P CA 0.166 62.565 63.100 -1.169 0.000 0.904 289 P CB 0.469 31.249 31.700 -1.534 0.000 1.381 290 D N 0.428 120.608 120.400 -0.367 0.000 2.347 290 D HA -0.018 4.622 4.640 -0.000 0.000 0.215 290 D C 1.634 177.722 176.300 -0.353 0.000 0.976 290 D CA 0.509 54.351 54.000 -0.263 0.000 0.884 290 D CB -0.451 40.246 40.800 -0.172 0.000 0.915 290 D HN 0.028 nan 8.370 nan 0.000 0.526 291 A N 0.959 123.500 122.820 -0.465 0.000 1.909 291 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 291 A C 1.167 178.196 177.584 -0.924 0.000 1.223 291 A CA 1.562 53.095 52.037 -0.840 0.000 0.658 291 A CB -0.960 17.311 19.000 -1.216 0.000 0.831 291 A HN 0.312 nan 8.150 nan 0.000 0.462 292 F N -0.697 119.074 119.950 -0.298 0.000 2.855 292 F HA 0.519 5.046 4.527 -0.000 0.000 0.317 292 F C 0.963 176.584 175.800 -0.297 0.000 1.169 292 F CA -0.460 57.293 58.000 -0.412 0.000 1.299 292 F CB -0.068 38.312 39.000 -1.035 0.000 0.962 292 F HN 0.503 nan 8.300 nan 0.000 0.506 293 G N 0.279 109.012 108.800 -0.110 0.000 3.409 293 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 293 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 293 G C 0.531 175.418 174.900 -0.022 0.000 1.017 293 G CA -0.194 44.878 45.100 -0.047 0.000 0.854 293 G HN 0.210 nan 8.290 nan 0.000 0.508 294 T N 1.925 116.447 114.554 -0.054 0.000 2.788 294 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 294 T C 2.903 177.613 174.700 0.017 0.000 1.044 294 T CA 2.600 64.678 62.100 -0.037 0.000 1.139 294 T CB -0.209 68.606 68.868 -0.088 0.000 0.867 294 T HN 1.576 nan 8.240 nan 0.000 0.454 295 A N 1.577 124.397 122.820 0.000 0.000 1.877 295 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 295 A C 2.666 180.263 177.584 0.023 0.000 1.186 295 A CA 1.906 53.942 52.037 -0.001 0.000 0.620 295 A CB -1.181 17.822 19.000 0.006 0.000 0.822 295 A HN 0.511 nan 8.150 nan 0.000 0.443 296 A N -1.554 121.305 122.820 0.065 0.000 1.933 296 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 296 A C 2.046 179.702 177.584 0.120 0.000 1.175 296 A CA 1.551 53.651 52.037 0.105 0.000 0.628 296 A CB -0.671 18.439 19.000 0.183 0.000 0.814 296 A HN 0.644 nan 8.150 nan 0.000 0.444 297 F N 0.533 120.465 119.950 -0.030 0.000 2.075 297 F HA -0.120 4.407 4.527 0.000 0.000 0.297 297 F C 1.942 177.687 175.800 -0.092 0.000 1.113 297 F CA 1.817 59.799 58.000 -0.031 0.000 1.218 297 F CB -0.204 38.713 39.000 -0.139 0.000 0.984 297 F HN 0.135 nan 8.300 nan 0.000 0.472 298 L N 0.010 121.164 121.223 -0.115 0.000 2.093 298 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 298 L C 2.609 179.283 176.870 -0.327 0.000 1.085 298 L CA 1.554 56.069 54.840 -0.542 0.000 0.755 298 L CB -0.746 40.916 42.059 -0.662 0.000 0.904 298 L HN 0.115 nan 8.230 nan 0.000 0.435 299 R N 0.907 121.329 120.500 -0.130 0.000 2.127 299 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 299 R C 1.029 177.290 176.300 -0.064 0.000 1.134 299 R CA 1.934 58.008 56.100 -0.042 0.000 0.975 299 R CB -0.082 30.210 30.300 -0.012 0.000 0.865 299 R HN 0.399 nan 8.270 nan 0.000 0.447 300 N N -0.433 118.202 118.700 -0.109 0.000 2.204 300 N HA 0.210 4.950 4.740 -0.000 0.000 0.219 300 N C -1.037 174.176 175.510 -0.495 0.000 1.151 300 N CA 0.103 53.064 53.050 -0.148 0.000 0.867 300 N CB 1.496 40.000 38.487 0.028 0.000 1.043 300 N HN 0.212 nan 8.380 nan 0.000 0.516 301 A N 1.607 124.074 122.820 -0.589 0.000 2.450 301 A HA 0.368 4.688 4.320 -0.000 0.000 0.255 301 A C -2.156 175.037 177.584 -0.651 0.000 1.096 301 A CA -0.902 50.561 52.037 -0.956 0.000 0.778 301 A CB 0.000 18.548 19.000 -0.754 0.000 1.031 301 A HN 0.017 nan 8.150 nan 0.000 0.494 302 P HA 0.120 nan 4.420 nan 0.000 0.271 302 P C 0.781 177.763 177.300 -0.530 0.000 1.218 302 P CA -0.250 62.440 63.100 -0.683 0.000 0.780 302 P CB 0.724 31.860 31.700 -0.940 0.000 0.901 303 E N 3.148 123.221 120.200 -0.212 0.000 2.130 303 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 303 E C 1.203 177.827 176.600 0.041 0.000 0.998 303 E CA 1.275 57.644 56.400 -0.052 0.000 0.806 303 E CB -0.230 29.475 29.700 0.008 0.000 0.738 303 E HN 0.631 nan 8.360 nan 0.000 0.459 304 W N -0.059 121.325 121.300 0.140 0.000 2.424 304 W HA -0.099 4.561 4.660 -0.000 0.000 0.264 304 W C 1.307 178.018 176.519 0.320 0.000 1.229 304 W CA 0.420 57.891 57.345 0.211 0.000 1.208 304 W CB -0.761 28.820 29.460 0.202 0.000 1.127 304 W HN -0.067 nan 8.180 nan 0.000 0.588 305 V N 2.406 122.276 119.914 -0.073 0.000 2.594 305 V HA -0.245 3.875 4.120 -0.000 0.000 0.253 305 V C 2.962 179.406 176.094 0.585 0.000 1.069 305 V CA 2.218 64.536 62.300 0.030 0.000 1.082 305 V CB -1.337 30.339 31.823 -0.244 0.000 0.680 305 V HN 0.270 nan 8.190 nan 0.000 0.469 306 A N -0.423 122.735 122.820 0.564 0.000 2.125 306 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 306 A C 1.801 179.687 177.584 0.503 0.000 1.156 306 A CA 1.621 53.969 52.037 0.520 0.000 0.671 306 A CB -0.367 18.655 19.000 0.036 0.000 0.794 306 A HN 0.551 nan 8.150 nan 0.000 0.459 307 D N -1.895 118.822 120.400 0.529 0.000 2.349 307 D HA 0.014 4.654 4.640 -0.000 0.000 0.215 307 D C -0.028 176.587 176.300 0.524 0.000 1.016 307 D CA -0.046 54.218 54.000 0.441 0.000 0.870 307 D CB -0.031 40.996 40.800 0.379 0.000 0.917 307 D HN 0.510 nan 8.370 nan 0.000 0.524 308 W N 1.569 123.105 121.300 0.394 0.000 2.079 308 W HA 0.034 4.694 4.660 -0.000 0.000 0.354 308 W C 1.940 178.646 176.519 0.311 0.000 1.302 308 W CA -0.114 57.443 57.345 0.354 0.000 1.281 308 W CB 0.199 29.887 29.460 0.379 0.000 1.165 308 W HN -0.251 nan 8.180 nan 0.000 0.603 309 T N 0.691 115.472 114.554 0.379 0.000 2.904 309 T HA 0.193 4.543 4.350 -0.000 0.000 0.267 309 T C 0.634 175.523 174.700 0.316 0.000 1.059 309 T CA 1.532 63.784 62.100 0.254 0.000 1.137 309 T CB -0.251 68.713 68.868 0.161 0.000 0.879 309 T HN 0.582 nan 8.240 nan 0.000 0.467 310 G N -0.676 108.420 108.800 0.494 0.000 2.488 310 G HA2 0.546 4.506 3.960 -0.000 0.000 0.301 310 G HA3 0.546 4.506 3.960 -0.000 0.000 0.301 310 G C -2.132 173.167 174.900 0.665 0.000 1.339 310 G CA -0.829 44.628 45.100 0.595 0.000 0.803 310 G HN 0.058 nan 8.290 nan 0.000 0.482 311 F N -0.724 119.341 119.950 0.192 0.000 2.620 311 F HA 0.769 5.296 4.527 -0.000 0.000 0.320 311 F C 0.463 176.140 175.800 -0.205 0.000 1.069 311 F CA -0.898 57.066 58.000 -0.059 0.000 0.953 311 F CB 2.744 41.611 39.000 -0.223 0.000 1.322 311 F HN 0.260 nan 8.300 nan 0.000 0.479 312 R N 2.300 122.727 120.500 -0.121 0.000 2.443 312 R HA 0.313 4.653 4.340 -0.000 0.000 0.287 312 R C -2.660 173.515 176.300 -0.208 0.000 1.425 312 R CA -1.673 54.290 56.100 -0.228 0.000 1.300 312 R CB 0.996 31.133 30.300 -0.272 0.000 1.129 312 R HN 0.141 nan 8.270 nan 0.000 0.577 313 P HA 0.048 nan 4.420 nan 0.000 0.268 313 P C -0.560 176.701 177.300 -0.066 0.000 1.541 313 P CA 0.086 63.116 63.100 -0.117 0.000 1.093 313 P CB 1.261 32.906 31.700 -0.092 0.000 1.551 314 D N 2.489 122.845 120.400 -0.073 0.000 2.240 314 D HA -0.092 4.548 4.640 -0.000 0.000 0.206 314 D C 1.686 177.984 176.300 -0.003 0.000 0.963 314 D CA 1.154 55.136 54.000 -0.029 0.000 0.863 314 D CB 0.369 41.166 40.800 -0.004 0.000 0.973 314 D HN 0.238 nan 8.370 nan 0.000 0.501 315 S N -1.201 114.481 115.700 -0.029 0.000 2.523 315 S HA 0.542 5.012 4.470 -0.000 0.000 0.217 315 S C 0.690 175.278 174.600 -0.019 0.000 0.996 315 S CA -0.285 57.892 58.200 -0.038 0.000 0.921 315 S CB 0.695 63.838 63.200 -0.096 0.000 0.829 315 S HN 0.207 nan 8.310 nan 0.000 0.495 316 A N 2.138 124.955 122.820 -0.004 0.000 2.269 316 A HA 0.809 5.129 4.320 -0.000 0.000 0.327 316 A C -2.841 174.767 177.584 0.040 0.000 1.112 316 A CA -2.052 49.991 52.037 0.010 0.000 0.865 316 A CB -0.304 18.699 19.000 0.004 0.000 1.227 316 A HN 0.254 nan 8.150 nan 0.000 0.498 317 P HA 0.174 nan 4.420 nan 0.000 0.268 317 P C -1.988 175.360 177.300 0.079 0.000 1.204 317 P CA -0.799 62.325 63.100 0.040 0.000 0.768 317 P CB 0.221 31.930 31.700 0.016 0.000 0.842 318 P HA -0.237 nan 4.420 nan 0.000 0.216 318 P C 1.362 178.815 177.300 0.255 0.000 1.167 318 P CA 1.581 64.769 63.100 0.148 0.000 0.914 318 P CB -0.197 31.454 31.700 -0.081 0.000 0.793 319 I N -1.319 119.304 120.570 0.089 0.000 2.179 319 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 319 I C 2.232 178.426 176.117 0.128 0.000 1.088 319 I CA 1.572 62.878 61.300 0.010 0.000 1.357 319 I CB -0.663 37.057 38.000 -0.467 0.000 1.051 319 I HN -0.081 nan 8.210 nan 0.000 0.409 320 E N 1.143 121.376 120.200 0.054 0.000 2.077 320 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 320 E C 2.217 178.877 176.600 0.099 0.000 0.989 320 E CA 1.387 57.824 56.400 0.061 0.000 0.800 320 E CB -0.716 28.999 29.700 0.025 0.000 0.746 320 E HN 0.505 nan 8.360 nan 0.000 0.452 321 G N 0.145 109.011 108.800 0.109 0.000 2.421 321 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 321 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 321 G C 1.698 176.637 174.900 0.066 0.000 1.171 321 G CA 0.821 45.963 45.100 0.071 0.000 0.775 321 G HN 0.431 nan 8.290 nan 0.000 0.543 322 G N 0.672 109.588 108.800 0.194 0.000 2.446 322 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 322 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 322 G C 1.634 176.601 174.900 0.111 0.000 1.168 322 G CA 1.110 46.236 45.100 0.043 0.000 0.771 322 G HN 0.407 nan 8.290 nan 0.000 0.551 323 E N 0.344 120.762 120.200 0.363 0.000 2.153 323 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 323 E C 2.288 178.957 176.600 0.115 0.000 0.988 323 E CA 0.685 57.264 56.400 0.299 0.000 0.811 323 E CB -0.147 29.715 29.700 0.269 0.000 0.746 323 E HN 0.487 nan 8.360 nan 0.000 0.466 324 K N 0.512 120.938 120.400 0.044 0.000 2.057 324 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 324 K C 2.065 178.589 176.600 -0.126 0.000 1.050 324 K CA 0.719 56.992 56.287 -0.023 0.000 0.935 324 K CB 0.090 32.565 32.500 -0.042 0.000 0.715 324 K HN -0.005 nan 8.250 nan 0.000 0.439 325 I N 1.470 121.876 120.570 -0.273 0.000 2.252 325 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 325 I C 2.267 178.063 176.117 -0.536 0.000 1.102 325 I CA 1.325 62.227 61.300 -0.664 0.000 1.385 325 I CB -0.962 36.448 38.000 -0.984 0.000 1.064 325 I HN 0.202 nan 8.210 nan 0.000 0.414 326 I N 0.698 121.181 120.570 -0.145 0.000 2.226 326 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 326 I C 2.575 178.789 176.117 0.162 0.000 1.100 326 I CA 1.308 62.720 61.300 0.186 0.000 1.374 326 I CB -0.332 37.825 38.000 0.262 0.000 1.057 326 I HN 0.195 nan 8.210 nan 0.000 0.413 327 E N 0.650 120.908 120.200 0.098 0.000 2.110 327 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 327 E C 1.909 178.572 176.600 0.105 0.000 0.988 327 E CA 1.518 57.976 56.400 0.098 0.000 0.804 327 E CB -0.454 29.296 29.700 0.083 0.000 0.745 327 E HN 0.491 nan 8.360 nan 0.000 0.458 328 W N -0.274 120.942 121.300 -0.140 0.000 2.381 328 W HA -0.114 4.545 4.660 -0.000 0.000 0.301 328 W C 1.634 178.118 176.519 -0.060 0.000 1.205 328 W CA 1.596 58.842 57.345 -0.164 0.000 1.285 328 W CB -0.480 28.784 29.460 -0.326 0.000 1.133 328 W HN 0.134 nan 8.180 nan 0.000 0.521 329 W N 0.863 122.124 121.300 -0.065 0.000 2.342 329 W HA -0.162 4.498 4.660 -0.000 0.000 0.297 329 W C 2.282 178.670 176.519 -0.218 0.000 1.213 329 W CA 1.295 58.512 57.345 -0.214 0.000 1.251 329 W CB -1.145 28.269 29.460 -0.077 0.000 1.136 329 W HN -0.116 nan 8.180 nan 0.000 0.526 330 R N 0.404 120.965 120.500 0.101 0.000 2.073 330 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 330 R C 1.934 178.201 176.300 -0.055 0.000 1.134 330 R CA 1.313 57.430 56.100 0.028 0.000 0.952 330 R CB -1.081 29.248 30.300 0.049 0.000 0.850 330 R HN 0.045 nan 8.270 nan 0.000 0.433 331 K N 0.328 120.669 120.400 -0.099 0.000 2.113 331 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 331 K C 1.759 178.226 176.600 -0.222 0.000 1.047 331 K CA 1.328 57.528 56.287 -0.145 0.000 0.928 331 K CB 0.016 32.421 32.500 -0.157 0.000 0.716 331 K HN -0.001 nan 8.250 nan 0.000 0.446 332 M N -1.114 118.275 119.600 -0.351 0.000 2.561 332 M HA 0.212 4.692 4.480 -0.000 0.000 0.238 332 M C 0.983 177.180 176.300 -0.172 0.000 1.131 332 M CA 1.005 56.102 55.300 -0.339 0.000 1.046 332 M CB -0.105 32.147 32.600 -0.580 0.000 1.532 332 M HN 0.411 nan 8.290 nan 0.000 0.497 333 G N 1.575 110.305 108.800 -0.117 0.000 2.136 333 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.242 333 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.242 333 G C -0.025 174.840 174.900 -0.059 0.000 0.989 333 G CA -0.145 44.914 45.100 -0.068 0.000 0.682 333 G HN 0.331 nan 8.290 nan 0.000 0.522 334 R N 0.425 120.887 120.500 -0.063 0.000 2.428 334 R HA 0.459 4.799 4.340 -0.000 0.000 0.294 334 R C -0.587 175.651 176.300 -0.104 0.000 1.000 334 R CA -1.027 55.019 56.100 -0.090 0.000 0.960 334 R CB 0.982 31.207 30.300 -0.126 0.000 1.076 334 R HN 0.251 nan 8.270 nan 0.000 0.475 335 D N 3.691 124.013 120.400 -0.130 0.000 2.325 335 D HA 0.118 4.758 4.640 -0.000 0.000 0.251 335 D C -1.389 174.783 176.300 -0.214 0.000 1.196 335 D CA -2.080 51.851 54.000 -0.116 0.000 0.866 335 D CB 1.249 41.997 40.800 -0.086 0.000 1.101 335 D HN 0.155 nan 8.370 nan 0.000 0.476 336 P HA -0.078 nan 4.420 nan 0.000 0.226 336 P C 1.059 178.245 177.300 -0.191 0.000 1.153 336 P CA 0.515 63.474 63.100 -0.236 0.000 0.777 336 P CB 0.437 32.174 31.700 0.062 0.000 0.794 337 R N 0.105 120.543 120.500 -0.104 0.000 2.152 337 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 337 R C 2.186 178.430 176.300 -0.093 0.000 1.117 337 R CA 1.933 57.995 56.100 -0.063 0.000 0.981 337 R CB -0.842 29.438 30.300 -0.033 0.000 0.870 337 R HN 0.339 nan 8.270 nan 0.000 0.451 338 T N -2.331 112.134 114.554 -0.150 0.000 3.100 338 T HA 0.125 4.475 4.350 -0.000 0.000 0.253 338 T C 0.618 175.203 174.700 -0.191 0.000 1.118 338 T CA 0.156 62.172 62.100 -0.139 0.000 1.058 338 T CB 0.243 69.033 68.868 -0.131 0.000 0.953 338 T HN -0.134 nan 8.240 nan 0.000 0.515 339 K N 0.576 120.775 120.400 -0.334 0.000 2.168 339 K HA 0.715 5.035 4.320 -0.000 0.000 0.239 339 K C -0.701 175.786 176.600 -0.188 0.000 0.999 339 K CA -0.821 55.213 56.287 -0.422 0.000 0.900 339 K CB 1.550 33.294 32.500 -1.260 0.000 1.111 339 K HN 0.188 nan 8.250 nan 0.000 0.452 340 M N 1.918 121.505 119.600 -0.022 0.000 2.464 340 M HA 0.436 4.916 4.480 -0.000 0.000 0.308 340 M C -1.707 174.659 176.300 0.111 0.000 1.127 340 M CA -0.757 54.573 55.300 0.050 0.000 0.913 340 M CB 1.142 33.775 32.600 0.055 0.000 1.689 340 M HN 0.386 nan 8.290 nan 0.000 0.445 341 L N 5.614 126.790 121.223 -0.078 0.000 2.298 341 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 341 L C -1.048 175.447 176.870 -0.624 0.000 1.013 341 L CA -0.507 54.104 54.840 -0.381 0.000 0.824 341 L CB 1.649 43.328 42.059 -0.633 0.000 1.221 341 L HN 0.680 nan 8.230 nan 0.000 0.418 342 I N 3.781 124.016 120.570 -0.559 0.000 2.328 342 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 342 I C -0.714 175.035 176.117 -0.613 0.000 1.012 342 I CA -0.298 60.717 61.300 -0.475 0.000 1.195 342 I CB 0.764 38.633 38.000 -0.218 0.000 1.350 342 I HN 0.331 nan 8.210 nan 0.000 0.464 343 F N 4.595 124.337 119.950 -0.347 0.000 2.408 343 F HA 0.437 4.964 4.527 0.000 0.000 0.344 343 F C 0.947 176.629 175.800 -0.198 0.000 1.112 343 F CA 0.107 57.948 58.000 -0.265 0.000 1.096 343 F CB 1.453 40.257 39.000 -0.326 0.000 1.129 343 F HN 0.399 nan 8.300 nan 0.000 0.486 344 S N 0.386 116.085 115.700 -0.002 0.000 3.697 344 S HA 0.273 4.743 4.470 -0.000 0.000 0.184 344 S C -0.470 174.153 174.600 0.038 0.000 1.045 344 S CA 0.013 58.160 58.200 -0.089 0.000 1.330 344 S CB -0.001 63.010 63.200 -0.315 0.000 1.393 344 S HN 0.820 nan 8.310 nan 0.000 0.855 345 D N 0.007 120.415 120.400 0.013 0.000 3.824 345 D HA -0.140 4.500 4.640 -0.000 0.000 0.275 345 D C 0.174 176.553 176.300 0.132 0.000 2.108 345 D CA 1.482 55.526 54.000 0.073 0.000 1.125 345 D CB -0.776 40.071 40.800 0.079 0.000 0.951 345 D HN 0.624 nan 8.370 nan 0.000 1.140 346 G N -0.271 108.610 108.800 0.136 0.000 4.198 346 G HA2 0.483 4.443 3.960 -0.000 0.000 0.282 346 G HA3 0.483 4.443 3.960 -0.000 0.000 0.282 346 G C -0.531 174.473 174.900 0.173 0.000 1.262 346 G CA -0.364 44.838 45.100 0.170 0.000 1.473 346 G HN 0.334 nan 8.290 nan 0.000 0.624 347 L N 1.990 123.327 121.223 0.190 0.000 2.397 347 L HA 0.310 4.650 4.340 -0.000 0.000 0.271 347 L C 0.427 177.407 176.870 0.184 0.000 1.148 347 L CA -0.433 54.502 54.840 0.158 0.000 0.825 347 L CB 1.157 43.309 42.059 0.155 0.000 1.117 347 L HN 0.502 nan 8.230 nan 0.000 0.456 348 D N 1.474 121.954 120.400 0.133 0.000 2.478 348 D HA 0.233 4.873 4.640 -0.000 0.000 0.263 348 D C 1.024 177.346 176.300 0.036 0.000 1.153 348 D CA -0.676 53.419 54.000 0.158 0.000 1.038 348 D CB 0.380 41.256 40.800 0.127 0.000 1.120 348 D HN 0.129 nan 8.370 nan 0.000 0.564 349 V N 0.311 120.237 119.914 0.020 0.000 2.332 349 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 349 V C 1.573 177.593 176.094 -0.125 0.000 1.055 349 V CA 2.156 64.375 62.300 -0.135 0.000 1.038 349 V CB -0.662 31.106 31.823 -0.091 0.000 0.651 349 V HN 0.530 nan 8.190 nan 0.000 0.450 350 D N 0.484 120.853 120.400 -0.051 0.000 2.123 350 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 350 D C 2.239 178.507 176.300 -0.052 0.000 0.992 350 D CA 1.699 55.672 54.000 -0.045 0.000 0.833 350 D CB -0.322 40.470 40.800 -0.013 0.000 0.954 350 D HN 0.462 nan 8.370 nan 0.000 0.455 351 A N 0.734 123.532 122.820 -0.036 0.000 1.902 351 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 351 A C 2.393 179.946 177.584 -0.053 0.000 1.181 351 A CA 0.870 52.891 52.037 -0.026 0.000 0.623 351 A CB -0.655 18.352 19.000 0.012 0.000 0.818 351 A HN 0.195 nan 8.150 nan 0.000 0.443 352 I N 0.189 120.680 120.570 -0.131 0.000 2.252 352 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 352 I C 2.583 178.506 176.117 -0.323 0.000 1.102 352 I CA 1.556 62.659 61.300 -0.328 0.000 1.385 352 I CB -0.377 37.276 38.000 -0.578 0.000 1.064 352 I HN 0.368 nan 8.210 nan 0.000 0.414 353 V N -1.074 118.710 119.914 -0.216 0.000 2.307 353 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 353 V C 2.122 178.219 176.094 0.005 0.000 1.045 353 V CA 2.325 64.560 62.300 -0.108 0.000 1.024 353 V CB -0.839 30.927 31.823 -0.096 0.000 0.651 353 V HN 0.344 nan 8.190 nan 0.000 0.449 354 D N 0.680 121.070 120.400 -0.016 0.000 2.144 354 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 354 D C 2.108 178.425 176.300 0.027 0.000 0.984 354 D CA 2.137 56.139 54.000 0.003 0.000 0.834 354 D CB -0.364 40.423 40.800 -0.022 0.000 0.955 354 D HN 0.538 nan 8.370 nan 0.000 0.465 355 T N -0.967 113.604 114.554 0.028 0.000 2.777 355 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 355 T C 1.558 176.422 174.700 0.273 0.000 1.040 355 T CA 1.225 63.362 62.100 0.061 0.000 1.141 355 T CB -0.609 68.221 68.868 -0.064 0.000 0.868 355 T HN 0.277 nan 8.240 nan 0.000 0.444 356 Y N 2.413 122.818 120.300 0.176 0.000 2.114 356 Y HA -0.135 4.415 4.550 -0.000 0.000 0.284 356 Y C 2.490 178.488 175.900 0.162 0.000 1.143 356 Y CA 1.320 59.565 58.100 0.241 0.000 1.135 356 Y CB -0.125 38.329 38.460 -0.009 0.000 0.980 356 Y HN -0.104 nan 8.280 nan 0.000 0.499 357 R N -0.455 120.075 120.500 0.051 0.000 2.127 357 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 357 R C 2.334 178.572 176.300 -0.103 0.000 1.134 357 R CA 1.624 57.684 56.100 -0.067 0.000 0.975 357 R CB -1.245 29.068 30.300 0.022 0.000 0.865 357 R HN 0.573 nan 8.270 nan 0.000 0.447 358 H N -0.353 118.625 119.070 -0.152 0.000 2.363 358 H HA -0.036 4.520 4.556 -0.000 0.000 0.301 358 H C 1.330 176.467 175.328 -0.318 0.000 1.074 358 H CA 1.411 57.290 56.048 -0.281 0.000 1.354 358 H CB -0.032 29.473 29.762 -0.428 0.000 1.397 358 H HN 0.127 nan 8.280 nan 0.000 0.516 359 F N 1.233 121.245 119.950 0.104 0.000 2.754 359 F HA 0.100 4.627 4.527 -0.000 0.000 0.297 359 F C 1.142 176.916 175.800 -0.043 0.000 1.122 359 F CA -0.154 57.899 58.000 0.089 0.000 1.400 359 F CB 0.205 39.347 39.000 0.237 0.000 1.117 359 F HN 0.117 nan 8.300 nan 0.000 0.587 360 E N 0.804 120.972 120.200 -0.054 0.000 2.708 360 E HA 0.011 4.361 4.350 -0.000 0.000 0.260 360 E C 1.384 177.950 176.600 -0.056 0.000 0.937 360 E CA 0.952 57.237 56.400 -0.191 0.000 0.953 360 E CB 0.141 29.573 29.700 -0.448 0.000 0.915 360 E HN 0.517 nan 8.360 nan 0.000 0.487 361 G N 4.599 113.393 108.800 -0.009 0.000 2.245 361 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.264 361 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.264 361 G C 0.987 175.909 174.900 0.037 0.000 0.985 361 G CA 0.629 45.736 45.100 0.012 0.000 0.625 361 G HN 0.661 nan 8.290 nan 0.000 0.536 362 R N -0.920 119.627 120.500 0.078 0.000 2.237 362 R HA 0.593 4.933 4.340 -0.000 0.000 0.195 362 R C 0.558 176.921 176.300 0.106 0.000 0.956 362 R CA 0.946 57.110 56.100 0.106 0.000 1.029 362 R CB 1.015 31.422 30.300 0.179 0.000 0.972 362 R HN 0.601 nan 8.270 nan 0.000 0.493 363 V N 0.287 120.265 119.914 0.107 0.000 3.278 363 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 363 V C -1.442 174.694 176.094 0.071 0.000 1.514 363 V CA -1.081 61.256 62.300 0.062 0.000 1.051 363 V CB 2.342 34.210 31.823 0.075 0.000 1.163 363 V HN 0.045 nan 8.190 nan 0.000 0.458 364 R N 3.243 123.764 120.500 0.035 0.000 2.441 364 R HA 0.696 5.036 4.340 -0.000 0.000 0.284 364 R C -0.602 175.742 176.300 0.074 0.000 1.070 364 R CA -0.163 55.976 56.100 0.065 0.000 1.047 364 R CB 1.031 31.353 30.300 0.036 0.000 1.016 364 R HN 0.645 nan 8.270 nan 0.000 0.477 365 M N 0.421 120.107 119.600 0.143 0.000 2.572 365 M HA 0.331 4.811 4.480 -0.000 0.000 0.299 365 M C -0.748 175.622 176.300 0.117 0.000 1.205 365 M CA -0.627 54.748 55.300 0.125 0.000 0.876 365 M CB 2.653 35.469 32.600 0.360 0.000 1.728 365 M HN 0.492 nan 8.290 nan 0.000 0.458 366 S N 1.239 116.894 115.700 -0.075 0.000 2.548 366 S HA 0.824 5.294 4.470 -0.000 0.000 0.276 366 S C -1.915 172.592 174.600 -0.155 0.000 1.129 366 S CA -0.545 57.673 58.200 0.029 0.000 0.931 366 S CB 0.998 64.218 63.200 0.034 0.000 1.068 366 S HN 0.474 nan 8.310 nan 0.000 0.480 367 F N 1.591 121.632 119.950 0.151 0.000 2.532 367 F HA 0.688 5.215 4.527 0.000 0.000 0.321 367 F C 0.912 176.780 175.800 0.114 0.000 1.089 367 F CA -0.614 57.468 58.000 0.137 0.000 0.926 367 F CB 2.098 41.141 39.000 0.071 0.000 1.168 367 F HN 0.673 nan 8.300 nan 0.000 0.459 368 G N 1.090 110.015 108.800 0.208 0.000 2.372 368 G HA2 0.378 4.338 3.960 -0.000 0.000 0.323 368 G HA3 0.378 4.338 3.960 -0.000 0.000 0.323 368 G C -2.233 172.899 174.900 0.386 0.000 1.152 368 G CA -0.364 44.823 45.100 0.146 0.000 0.906 368 G HN 0.567 nan 8.290 nan 0.000 0.460 369 W N 3.543 125.030 121.300 0.310 0.000 2.296 369 W HA 0.614 5.274 4.660 -0.000 0.000 0.316 369 W C 0.350 177.041 176.519 0.287 0.000 1.022 369 W CA -1.311 56.187 57.345 0.255 0.000 1.324 369 W CB 1.386 30.978 29.460 0.220 0.000 1.227 369 W HN 0.696 nan 8.180 nan 0.000 0.409 370 G N 1.443 110.515 108.800 0.453 0.000 3.198 370 G HA2 0.273 4.233 3.960 -0.000 0.000 0.203 370 G HA3 0.273 4.233 3.960 -0.000 0.000 0.203 370 G C 1.207 176.216 174.900 0.183 0.000 1.950 370 G CA 0.751 46.036 45.100 0.309 0.000 0.798 370 G HN 0.438 nan 8.290 nan 0.000 0.720 371 T N 0.486 115.159 114.554 0.198 0.000 2.620 371 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 371 T C 1.971 176.753 174.700 0.136 0.000 1.044 371 T CA 2.197 64.400 62.100 0.171 0.000 1.161 371 T CB -0.766 68.203 68.868 0.170 0.000 0.862 371 T HN 0.424 nan 8.240 nan 0.000 0.438 372 N N 0.305 119.095 118.700 0.151 0.000 2.513 372 N HA -0.062 4.678 4.740 -0.000 0.000 0.187 372 N C 1.780 177.230 175.510 -0.100 0.000 1.056 372 N CA 1.326 54.462 53.050 0.143 0.000 0.907 372 N CB -0.058 38.632 38.487 0.338 0.000 0.954 372 N HN 0.531 nan 8.380 nan 0.000 0.445 373 L N -0.481 120.504 121.223 -0.396 0.000 2.347 373 L HA 0.150 4.490 4.340 -0.000 0.000 0.196 373 L C 2.067 178.802 176.870 -0.224 0.000 1.072 373 L CA 1.266 55.635 54.840 -0.785 0.000 0.817 373 L CB -0.862 40.396 42.059 -1.335 0.000 1.029 373 L HN -0.143 nan 8.230 nan 0.000 0.478 374 T N -0.377 114.162 114.554 -0.026 0.000 3.129 374 T HA 0.117 4.467 4.350 -0.000 0.000 0.251 374 T C 0.501 175.498 174.700 0.496 0.000 1.117 374 T CA 0.312 62.543 62.100 0.218 0.000 1.034 374 T CB -0.702 68.267 68.868 0.169 0.000 0.968 374 T HN 0.460 nan 8.240 nan 0.000 0.526 375 N N 1.045 119.989 118.700 0.407 0.000 2.805 375 N HA 0.078 4.818 4.740 -0.000 0.000 0.216 375 N C -2.055 173.687 175.510 0.388 0.000 1.447 375 N CA -0.084 53.245 53.050 0.466 0.000 0.785 375 N CB 0.506 39.180 38.487 0.312 0.000 1.458 375 N HN -0.030 nan 8.380 nan 0.000 0.547 376 D N 1.185 121.819 120.400 0.391 0.000 2.400 376 D HA 0.219 4.859 4.640 -0.000 0.000 0.272 376 D C -0.714 175.633 176.300 0.079 0.000 1.220 376 D CA -0.324 53.804 54.000 0.214 0.000 0.897 376 D CB 0.111 40.983 40.800 0.121 0.000 1.134 376 D HN 0.245 nan 8.370 nan 0.000 0.507 377 F N 1.182 121.098 119.950 -0.058 0.000 2.654 377 F HA 0.380 4.907 4.527 -0.000 0.000 0.303 377 F C 2.041 177.789 175.800 -0.087 0.000 1.099 377 F CA -0.255 57.657 58.000 -0.147 0.000 1.270 377 F CB -0.107 38.749 39.000 -0.239 0.000 1.024 377 F HN 0.362 nan 8.300 nan 0.000 0.548 378 A N 0.862 123.750 122.820 0.114 0.000 1.883 378 A HA -0.273 4.047 4.320 -0.000 0.000 0.226 378 A C 2.347 179.951 177.584 0.034 0.000 1.512 378 A CA 2.348 54.425 52.037 0.068 0.000 0.738 378 A CB -1.398 17.637 19.000 0.058 0.000 0.848 378 A HN 0.424 nan 8.150 nan 0.000 0.477 379 G N -2.796 106.011 108.800 0.011 0.000 3.609 379 G HA2 0.282 4.242 3.960 -0.000 0.000 0.280 379 G HA3 0.282 4.242 3.960 -0.000 0.000 0.280 379 G C 0.621 175.505 174.900 -0.027 0.000 1.155 379 G CA 0.627 45.725 45.100 -0.004 0.000 0.876 379 G HN 0.541 nan 8.290 nan 0.000 0.535 380 C N 0.587 119.860 119.300 -0.044 0.000 2.594 380 C HA 0.527 4.987 4.460 -0.000 0.000 0.265 380 C C 1.894 176.836 174.990 -0.080 0.000 1.351 380 C CA -0.137 58.826 59.018 -0.092 0.000 1.744 380 C CB -0.970 26.653 27.740 -0.196 0.000 1.890 380 C HN 0.592 nan 8.230 nan 0.000 0.551 381 A N 1.530 124.322 122.820 -0.048 0.000 2.327 381 A HA 0.584 4.904 4.320 -0.000 0.000 0.283 381 A C -1.680 175.880 177.584 -0.041 0.000 1.127 381 A CA -0.663 51.343 52.037 -0.051 0.000 0.810 381 A CB -0.213 18.764 19.000 -0.039 0.000 1.066 381 A HN 0.298 nan 8.150 nan 0.000 0.492 389 K N 2.682 123.081 120.400 -0.002 0.000 2.444 389 K HA 1.004 5.324 4.320 -0.000 0.000 0.252 389 K C -1.595 175.018 176.600 0.022 0.000 0.993 389 K CA -0.186 56.107 56.287 0.010 0.000 0.847 389 K CB 1.369 33.873 32.500 0.006 0.000 1.340 389 K HN 1.010 nan 8.250 nan 0.000 0.446 390 P HA 0.322 nan 4.420 nan 0.000 0.207 390 P C -0.275 177.053 177.300 0.047 0.000 1.208 390 P CA 0.579 63.706 63.100 0.046 0.000 0.908 390 P CB -0.091 31.637 31.700 0.047 0.000 0.744 391 I N -0.607 119.989 120.570 0.044 0.000 7.071 391 I HA -0.156 4.014 4.170 -0.000 0.000 0.126 391 I C -0.156 175.995 176.117 0.058 0.000 1.834 391 I CA -0.173 61.154 61.300 0.046 0.000 2.037 391 I CB -1.866 36.160 38.000 0.043 0.000 3.591 391 I HN 0.102 nan 8.210 nan 0.000 0.169 392 S N 6.394 122.127 115.700 0.055 0.000 3.036 392 S HA 0.567 5.037 4.470 -0.000 0.000 0.301 392 S C -0.312 174.326 174.600 0.064 0.000 1.205 392 S CA -0.512 57.725 58.200 0.061 0.000 0.999 392 S CB 0.027 63.258 63.200 0.051 0.000 1.337 392 S HN 0.369 nan 8.310 nan 0.000 0.515 393 I N 5.769 126.384 120.570 0.075 0.000 2.525 393 I HA 0.706 4.876 4.170 -0.000 0.000 0.301 393 I C -0.538 175.638 176.117 0.098 0.000 0.992 393 I CA -0.406 60.944 61.300 0.083 0.000 1.162 393 I CB 1.798 39.848 38.000 0.085 0.000 1.332 393 I HN 0.433 nan 8.210 nan 0.000 0.458 394 V N 3.315 123.292 119.914 0.104 0.000 3.232 394 V HA 0.556 4.676 4.120 -0.000 0.000 0.303 394 V C -1.167 175.017 176.094 0.151 0.000 1.311 394 V CA -0.898 61.478 62.300 0.126 0.000 1.061 394 V CB 1.464 33.351 31.823 0.107 0.000 1.085 394 V HN 0.899 nan 8.190 nan 0.000 0.447 395 C N 2.643 122.060 119.300 0.196 0.000 3.517 395 C HA 0.528 4.988 4.460 -0.000 0.000 0.202 395 C C 0.004 175.197 174.990 0.338 0.000 1.370 395 C CA -0.624 58.553 59.018 0.265 0.000 1.308 395 C CB -0.989 26.927 27.740 0.294 0.000 1.840 395 C HN 0.895 nan 8.230 nan 0.000 0.525 396 K N 1.326 121.852 120.400 0.211 0.000 2.117 396 K HA 0.498 4.818 4.320 -0.000 0.000 0.240 396 K C 0.059 176.608 176.600 -0.085 0.000 1.031 396 K CA -0.335 56.030 56.287 0.130 0.000 0.909 396 K CB 0.779 33.305 32.500 0.043 0.000 1.097 396 K HN 0.354 nan 8.250 nan 0.000 0.492 397 V N 1.724 121.428 119.914 -0.350 0.000 2.555 397 V HA -0.020 4.100 4.120 -0.000 0.000 0.286 397 V C 1.533 177.431 176.094 -0.327 0.000 1.044 397 V CA 0.099 61.982 62.300 -0.695 0.000 1.026 397 V CB 0.829 32.256 31.823 -0.659 0.000 0.981 397 V HN 0.923 nan 8.190 nan 0.000 0.480 398 S N 1.838 117.381 115.700 -0.261 0.000 2.499 398 S HA 0.164 4.634 4.470 -0.000 0.000 0.225 398 S C 0.250 174.770 174.600 -0.132 0.000 1.050 398 S CA 0.305 58.421 58.200 -0.140 0.000 0.928 398 S CB 0.031 63.190 63.200 -0.068 0.000 0.803 398 S HN 0.942 nan 8.310 nan 0.000 0.506 399 D N -0.192 120.117 120.400 -0.152 0.000 2.622 399 D HA 0.672 5.312 4.640 -0.000 0.000 0.255 399 D C -1.413 174.790 176.300 -0.162 0.000 1.246 399 D CA -0.626 53.300 54.000 -0.122 0.000 0.795 399 D CB 1.109 41.880 40.800 -0.049 0.000 1.369 399 D HN 0.302 nan 8.370 nan 0.000 0.425 400 A N 1.102 123.833 122.820 -0.148 0.000 2.375 400 A HA 0.652 4.972 4.320 -0.000 0.000 0.295 400 A C -0.358 177.173 177.584 -0.088 0.000 1.066 400 A CA -0.788 51.141 52.037 -0.180 0.000 0.722 400 A CB 0.568 19.389 19.000 -0.298 0.000 1.206 400 A HN 0.630 nan 8.150 nan 0.000 0.435 401 N N 1.075 119.753 118.700 -0.036 0.000 2.721 401 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 401 N C 1.027 176.538 175.510 0.001 0.000 1.072 401 N CA 2.754 55.806 53.050 0.002 0.000 0.710 401 N CB -1.091 37.395 38.487 0.000 0.000 0.993 401 N HN 2.246 nan 8.380 nan 0.000 0.547 402 G N -1.366 107.436 108.800 0.004 0.000 2.162 402 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 402 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 402 G C 0.097 174.992 174.900 -0.009 0.000 0.976 402 G CA 0.709 45.812 45.100 0.005 0.000 0.655 402 G HN 0.601 nan 8.290 nan 0.000 0.533 403 R N 0.122 120.607 120.500 -0.025 0.000 2.637 403 R HA 0.484 4.824 4.340 -0.000 0.000 0.291 403 R C -2.840 173.434 176.300 -0.043 0.000 0.963 403 R CA -2.230 53.854 56.100 -0.027 0.000 0.901 403 R CB 1.612 31.898 30.300 -0.023 0.000 1.160 403 R HN -0.015 nan 8.270 nan 0.000 0.457 404 P HA -0.045 nan 4.420 nan 0.000 0.262 404 P C -0.961 176.281 177.300 -0.096 0.000 1.199 404 P CA 0.298 63.359 63.100 -0.064 0.000 0.763 404 P CB 0.586 32.253 31.700 -0.055 0.000 0.790 405 A N 3.794 126.538 122.820 -0.126 0.000 2.331 405 A HA 0.538 4.858 4.320 -0.000 0.000 0.283 405 A C -0.232 177.242 177.584 -0.183 0.000 1.142 405 A CA -0.274 51.676 52.037 -0.146 0.000 0.812 405 A CB 0.493 19.386 19.000 -0.178 0.000 1.074 405 A HN 0.415 nan 8.150 nan 0.000 0.497 406 V N 1.977 121.749 119.914 -0.237 0.000 3.078 406 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 406 V C -0.450 175.553 176.094 -0.151 0.000 1.138 406 V CA -0.756 61.365 62.300 -0.298 0.000 1.007 406 V CB 2.429 33.860 31.823 -0.653 0.000 1.045 406 V HN 0.938 nan 8.190 nan 0.000 0.432 407 K N 3.009 123.318 120.400 -0.152 0.000 2.637 407 K HA 0.748 5.068 4.320 -0.000 0.000 0.248 407 K C -1.501 175.016 176.600 -0.139 0.000 0.971 407 K CA -0.438 55.745 56.287 -0.174 0.000 0.858 407 K CB 1.491 33.836 32.500 -0.259 0.000 1.170 407 K HN 0.712 nan 8.250 nan 0.000 0.443 408 L N 2.991 124.171 121.223 -0.071 0.000 2.371 408 L HA 0.376 4.716 4.340 -0.000 0.000 0.262 408 L C 0.701 177.501 176.870 -0.116 0.000 1.054 408 L CA -0.652 54.171 54.840 -0.029 0.000 0.924 408 L CB -0.183 41.947 42.059 0.119 0.000 1.295 408 L HN 0.854 nan 8.230 nan 0.000 0.441 409 S N -0.237 115.356 115.700 -0.178 0.000 2.629 409 S HA 0.020 4.490 4.470 -0.000 0.000 0.250 409 S C 0.768 175.293 174.600 -0.126 0.000 1.318 409 S CA 0.617 58.689 58.200 -0.214 0.000 0.970 409 S CB 0.185 63.257 63.200 -0.214 0.000 0.996 409 S HN 0.676 nan 8.310 nan 0.000 0.563 410 D N 0.673 121.006 120.400 -0.112 0.000 2.363 410 D HA 0.073 4.713 4.640 -0.000 0.000 0.226 410 D C 0.047 176.322 176.300 -0.041 0.000 1.020 410 D CA 0.639 54.599 54.000 -0.067 0.000 0.892 410 D CB -0.527 40.237 40.800 -0.060 0.000 0.900 410 D HN 0.482 nan 8.370 nan 0.000 0.531 411 N N 0.238 118.910 118.700 -0.047 0.000 2.904 411 N HA 0.159 4.899 4.740 -0.000 0.000 0.257 411 N C -2.138 173.356 175.510 -0.027 0.000 1.363 411 N CA -2.000 51.033 53.050 -0.028 0.000 0.856 411 N CB 1.425 39.896 38.487 -0.027 0.000 1.166 411 N HN -0.265 nan 8.380 nan 0.000 0.499 412 P HA -0.225 nan 4.420 nan 0.000 0.219 412 P C 0.864 178.163 177.300 -0.003 0.000 1.151 412 P CA 1.498 64.599 63.100 0.001 0.000 0.850 412 P CB 0.340 32.054 31.700 0.022 0.000 0.784 413 Q N -0.953 118.845 119.800 -0.004 0.000 2.291 413 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 413 Q C 1.091 177.084 176.000 -0.012 0.000 0.970 413 Q CA 0.963 56.764 55.803 -0.004 0.000 0.876 413 Q CB -0.198 28.539 28.738 -0.001 0.000 0.935 413 Q HN 0.359 nan 8.270 nan 0.000 0.455 414 K N 0.278 120.665 120.400 -0.022 0.000 2.577 414 K HA 0.273 4.593 4.320 -0.000 0.000 0.210 414 K C -0.067 176.505 176.600 -0.048 0.000 1.048 414 K CA -0.427 55.841 56.287 -0.031 0.000 1.188 414 K CB 0.645 33.125 32.500 -0.034 0.000 0.910 414 K HN 0.072 nan 8.250 nan 0.000 0.483 415 A N 0.988 123.782 122.820 -0.043 0.000 2.455 415 A HA 0.143 4.463 4.320 -0.000 0.000 0.244 415 A C 0.212 177.757 177.584 -0.064 0.000 1.099 415 A CA 0.448 52.451 52.037 -0.057 0.000 0.786 415 A CB 0.280 19.260 19.000 -0.034 0.000 1.051 415 A HN 0.194 nan 8.150 nan 0.000 0.508 416 T N -0.372 114.131 114.554 -0.084 0.000 2.916 416 T HA 0.691 5.041 4.350 -0.000 0.000 0.298 416 T C 0.104 174.746 174.700 -0.095 0.000 1.031 416 T CA 0.533 62.584 62.100 -0.082 0.000 0.993 416 T CB 1.492 70.304 68.868 -0.094 0.000 1.045 416 T HN 2.413 nan 8.240 nan 0.000 0.454 417 G N 2.269 111.023 108.800 -0.077 0.000 2.592 417 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.684 417 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.684 417 G C -0.717 174.140 174.900 -0.072 0.000 1.291 417 G CA -0.679 44.369 45.100 -0.086 0.000 0.891 417 G HN 0.953 nan 8.290 nan 0.000 0.544 418 D N 0.925 121.283 120.400 -0.070 0.000 2.819 418 D HA 0.211 4.851 4.640 -0.000 0.000 0.236 418 D C -0.304 175.971 176.300 -0.042 0.000 1.181 418 D CA 0.065 54.036 54.000 -0.049 0.000 0.855 418 D CB 0.755 41.527 40.800 -0.047 0.000 1.146 418 D HN 0.140 nan 8.370 nan 0.000 0.540 419 P HA -0.258 nan 4.420 nan 0.000 0.216 419 P C 0.947 178.246 177.300 -0.000 0.000 1.157 419 P CA 2.104 65.197 63.100 -0.012 0.000 0.880 419 P CB 0.088 31.785 31.700 -0.006 0.000 0.791 420 A N -0.759 122.062 122.820 0.002 0.000 1.930 420 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 420 A C 2.319 179.922 177.584 0.031 0.000 1.175 420 A CA 1.854 53.900 52.037 0.015 0.000 0.627 420 A CB -1.200 17.807 19.000 0.011 0.000 0.815 420 A HN 0.099 nan 8.150 nan 0.000 0.443 421 E N -0.151 120.058 120.200 0.015 0.000 2.047 421 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 421 E C 1.921 178.551 176.600 0.050 0.000 0.987 421 E CA 1.245 57.667 56.400 0.038 0.000 0.799 421 E CB -0.473 29.204 29.700 -0.038 0.000 0.752 421 E HN 0.216 nan 8.360 nan 0.000 0.449 422 V N 1.522 121.418 119.914 -0.028 0.000 2.278 422 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 422 V C 2.279 178.436 176.094 0.104 0.000 1.062 422 V CA 2.211 64.508 62.300 -0.005 0.000 1.038 422 V CB -0.499 31.314 31.823 -0.018 0.000 0.646 422 V HN 0.317 nan 8.190 nan 0.000 0.447 423 E N -0.342 119.908 120.200 0.084 0.000 2.077 423 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 423 E C 2.346 179.028 176.600 0.136 0.000 0.989 423 E CA 1.406 57.862 56.400 0.094 0.000 0.800 423 E CB -0.282 29.454 29.700 0.060 0.000 0.746 423 E HN 0.559 nan 8.360 nan 0.000 0.452 424 R N -0.372 120.224 120.500 0.160 0.000 2.066 424 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 424 R C 2.238 178.680 176.300 0.237 0.000 1.131 424 R CA 1.194 57.391 56.100 0.161 0.000 0.955 424 R CB -0.205 30.176 30.300 0.135 0.000 0.851 424 R HN 0.118 nan 8.270 nan 0.000 0.432 425 Y N 0.396 120.757 120.300 0.101 0.000 2.145 425 Y HA -0.200 4.350 4.550 0.000 0.000 0.286 425 Y C 2.057 178.150 175.900 0.322 0.000 1.145 425 Y CA 1.127 59.367 58.100 0.233 0.000 1.148 425 Y CB -0.585 38.008 38.460 0.222 0.000 0.981 425 Y HN 0.095 nan 8.280 nan 0.000 0.507 426 L N 0.597 122.048 121.223 0.380 0.000 2.042 426 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 426 L C 2.354 179.343 176.870 0.198 0.000 1.076 426 L CA 1.917 56.914 54.840 0.261 0.000 0.749 426 L CB -0.676 41.483 42.059 0.166 0.000 0.893 426 L HN 0.134 nan 8.230 nan 0.000 0.432 427 K N -1.954 118.546 120.400 0.166 0.000 2.155 427 K HA -0.204 4.116 4.320 -0.000 0.000 0.203 427 K C 2.147 178.796 176.600 0.082 0.000 1.052 427 K CA 1.324 57.672 56.287 0.103 0.000 0.948 427 K CB -0.233 32.319 32.500 0.087 0.000 0.728 427 K HN 0.275 nan 8.250 nan 0.000 0.448 428 F N -0.048 119.862 119.950 -0.067 0.000 2.149 428 F HA -0.001 4.526 4.527 -0.000 0.000 0.294 428 F C 1.330 176.957 175.800 -0.288 0.000 1.095 428 F CA 1.284 59.136 58.000 -0.247 0.000 1.276 428 F CB -0.079 38.642 39.000 -0.465 0.000 1.023 428 F HN -0.068 nan 8.300 nan 0.000 0.480 429 F N 0.491 120.413 119.950 -0.045 0.000 2.569 429 F HA 0.318 4.845 4.527 -0.000 0.000 0.295 429 F C 1.508 177.263 175.800 -0.075 0.000 1.115 429 F CA 0.720 58.656 58.000 -0.107 0.000 1.450 429 F CB -0.562 38.491 39.000 0.088 0.000 1.107 429 F HN 0.192 nan 8.300 nan 0.000 0.563 430 G N 1.243 110.123 108.800 0.132 0.000 2.760 430 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.246 430 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.246 430 G C -0.780 174.185 174.900 0.108 0.000 1.359 430 G CA -0.265 44.880 45.100 0.076 0.000 0.861 430 G HN 0.462 nan 8.290 nan 0.000 0.541 431 E N -1.617 118.623 120.200 0.066 0.000 2.347 431 E HA 0.629 4.979 4.350 -0.000 0.000 0.285 431 E C -0.097 176.523 176.600 0.034 0.000 0.925 431 E CA -0.080 56.355 56.400 0.057 0.000 0.779 431 E CB 0.875 30.609 29.700 0.055 0.000 1.233 431 E HN 1.539 nan 8.360 nan 0.000 0.414 432 E N 2.272 122.488 120.200 0.027 0.000 2.459 432 E HA 0.266 4.616 4.350 -0.000 0.000 0.264 432 E C 0.467 177.075 176.600 0.015 0.000 1.055 432 E CA 0.785 57.196 56.400 0.017 0.000 0.957 432 E CB -0.387 29.320 29.700 0.012 0.000 0.952 432 E HN 0.748 nan 8.360 nan 0.000 0.448 433 D N 0.000 120.407 120.400 0.012 0.000 6.856 433 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 433 D CA 0.000 54.006 54.000 0.010 0.000 0.868 433 D CB 0.000 40.805 40.800 0.009 0.000 0.688 433 D HN 0.000 nan 8.370 nan 0.000 0.683