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 1kah_1_A DATA FIRST_RESID 4 DATA SEQUENCE NTIIDWNSCT AEQQRQLLXR PAISASESIT RTVNDILDNV KARGDEALRE DATA SEQUENCE YSAKFDKTTV TALKVSAEEI AAASERLSDE LKQAXAVAVK NIETFHTAQK DATA SEQUENCE LPPVDVETQP GVRCQQVTRP VASVGLYIPG GSAPLFSTVL XLATPASIAG DATA SEQUENCE CKKVVLCSPP PIADEILYAA QLCGVQDVFN VGGAQAIAAL AFGTESVPKV DATA SEQUENCE DKIFGPGNAF VTEAKRQVSQ RLDGAAIDXP AGPSEVLVIA DSGATPDFVA DATA SEQUENCE SDLLSQAEHG PDSQVILLTP AADXARRVAE AVERQLAELP RAETARQALN DATA SEQUENCE ASRLIVTKDL AQCVEISNQY GPEHLIIQTR NARELVDSIT SAGSVFLGDW DATA SEQUENCE SPESAGDYAS GTNHVLPTYG YTATCSSLGL ADFQKRXTVQ ELSKEGFSAL DATA SEQUENCE ASTIETLAAA ERLTAHKNAV TLRVNALKEQ A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.000 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 4 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 5 T N 1.021 115.576 114.554 0.002 0.000 1.586 5 T HA -0.138 4.212 4.350 -0.000 0.000 0.639 5 T C -0.057 174.648 174.700 0.009 0.000 0.947 5 T CA 0.121 62.224 62.100 0.005 0.000 3.397 5 T CB -2.093 66.778 68.868 0.006 0.000 1.950 5 T HN 0.378 nan 8.240 nan 0.000 0.385 6 I N 3.801 124.377 120.570 0.010 0.000 2.395 6 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 6 I C 1.244 177.378 176.117 0.029 0.000 1.023 6 I CA -1.390 59.920 61.300 0.017 0.000 1.350 6 I CB 0.998 39.006 38.000 0.013 0.000 1.409 6 I HN 0.692 nan 8.210 nan 0.000 0.507 7 I N 5.232 125.831 120.570 0.048 0.000 2.315 7 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 7 I C 0.517 176.696 176.117 0.103 0.000 1.006 7 I CA -0.287 61.057 61.300 0.074 0.000 1.265 7 I CB 0.998 39.065 38.000 0.111 0.000 1.387 7 I HN 0.496 nan 8.210 nan 0.000 0.475 8 D N 7.431 127.879 120.400 0.081 0.000 2.468 8 D HA -0.048 4.592 4.640 -0.000 0.000 0.218 8 D C 0.979 177.357 176.300 0.130 0.000 1.155 8 D CA -0.323 53.736 54.000 0.097 0.000 0.924 8 D CB 0.533 41.364 40.800 0.051 0.000 1.029 8 D HN 0.678 nan 8.370 nan 0.000 0.515 9 W N 4.871 126.163 121.300 -0.013 0.000 2.269 9 W HA -0.310 4.350 4.660 -0.000 0.000 0.336 9 W C 0.947 177.462 176.519 -0.007 0.000 1.333 9 W CA 1.275 58.614 57.345 -0.011 0.000 1.299 9 W CB -0.091 29.361 29.460 -0.012 0.000 1.126 9 W HN 0.473 nan 8.180 nan 0.000 0.474 10 N N 0.023 118.796 118.700 0.121 0.000 2.550 10 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 10 N C 1.308 176.786 175.510 -0.054 0.000 1.110 10 N CA 1.178 54.233 53.050 0.009 0.000 0.912 10 N CB -0.203 38.343 38.487 0.098 0.000 0.968 10 N HN 0.018 nan 8.380 nan 0.000 0.448 11 S N 0.051 115.719 115.700 -0.053 0.000 2.575 11 S HA 0.131 4.601 4.470 -0.000 0.000 0.215 11 S C 0.579 175.118 174.600 -0.102 0.000 0.966 11 S CA -0.315 57.852 58.200 -0.056 0.000 0.911 11 S CB 0.300 63.484 63.200 -0.025 0.000 0.780 11 S HN 0.275 nan 8.310 nan 0.000 0.514 12 C N 2.951 122.140 119.300 -0.186 0.000 2.366 12 C HA 0.593 5.053 4.460 -0.000 0.000 0.345 12 C C 1.221 176.064 174.990 -0.245 0.000 1.209 12 C CA -1.199 57.675 59.018 -0.240 0.000 2.050 12 C CB 0.704 28.212 27.740 -0.386 0.000 2.359 12 C HN 0.554 nan 8.230 nan 0.000 0.527 13 T N 0.180 114.622 114.554 -0.186 0.000 2.900 13 T HA 0.339 4.689 4.350 -0.000 0.000 0.307 13 T C 1.162 175.745 174.700 -0.194 0.000 1.065 13 T CA 0.164 62.174 62.100 -0.150 0.000 1.105 13 T CB 0.824 69.630 68.868 -0.104 0.000 0.979 13 T HN 0.859 nan 8.240 nan 0.000 0.544 14 A N 1.058 123.789 122.820 -0.147 0.000 1.986 14 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 14 A C 2.357 179.867 177.584 -0.124 0.000 1.171 14 A CA 1.641 53.595 52.037 -0.137 0.000 0.640 14 A CB -0.866 18.091 19.000 -0.072 0.000 0.811 14 A HN 0.914 nan 8.150 nan 0.000 0.451 15 E N 0.018 120.159 120.200 -0.099 0.000 2.028 15 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 15 E C 2.179 178.724 176.600 -0.090 0.000 0.984 15 E CA 1.302 57.658 56.400 -0.073 0.000 0.800 15 E CB -0.453 29.216 29.700 -0.053 0.000 0.758 15 E HN 0.750 nan 8.360 nan 0.000 0.448 16 Q N 0.177 119.907 119.800 -0.116 0.000 2.152 16 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 16 Q C 2.306 178.208 176.000 -0.163 0.000 0.985 16 Q CA 1.630 57.360 55.803 -0.121 0.000 0.863 16 Q CB -0.099 28.558 28.738 -0.135 0.000 0.904 16 Q HN 0.398 nan 8.270 nan 0.000 0.422 17 Q N 0.402 120.033 119.800 -0.282 0.000 1.948 17 Q HA -0.218 4.122 4.340 -0.000 0.000 0.205 17 Q C 2.118 178.072 176.000 -0.077 0.000 0.992 17 Q CA 1.834 57.380 55.803 -0.428 0.000 0.849 17 Q CB -0.385 27.930 28.738 -0.704 0.000 0.918 17 Q HN 0.449 nan 8.270 nan 0.000 0.421 18 R N 0.739 121.236 120.500 -0.006 0.000 2.200 18 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 18 R C 2.082 178.425 176.300 0.072 0.000 1.127 18 R CA 1.404 57.554 56.100 0.084 0.000 0.989 18 R CB -0.339 29.996 30.300 0.058 0.000 0.869 18 R HN 0.223 nan 8.270 nan 0.000 0.459 19 Q N 1.464 121.280 119.800 0.026 0.000 2.230 19 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 19 Q C 2.028 178.061 176.000 0.055 0.000 0.963 19 Q CA 1.104 56.924 55.803 0.029 0.000 0.866 19 Q CB 0.053 28.791 28.738 -0.001 0.000 0.931 19 Q HN 0.539 nan 8.270 nan 0.000 0.452 20 L N 0.166 121.428 121.223 0.066 0.000 2.027 20 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 20 L C 1.054 178.004 176.870 0.133 0.000 1.074 20 L CA 0.413 55.313 54.840 0.101 0.000 0.745 20 L CB -0.333 41.815 42.059 0.148 0.000 0.898 20 L HN 0.131 nan 8.230 nan 0.000 0.433 24 P HA 0.226 nan 4.420 nan 0.000 0.271 24 P C -0.807 176.590 177.300 0.162 0.000 1.233 24 P CA -0.281 62.889 63.100 0.116 0.000 0.795 24 P CB 0.442 32.177 31.700 0.059 0.000 0.936 25 A N 0.476 123.357 122.820 0.102 0.000 2.388 25 A HA 0.577 4.897 4.320 -0.000 0.000 0.280 25 A C -0.255 177.401 177.584 0.119 0.000 1.377 25 A CA -0.188 51.907 52.037 0.097 0.000 0.863 25 A CB -0.125 18.904 19.000 0.047 0.000 1.416 25 A HN 0.428 nan 8.150 nan 0.000 0.517 26 I N -1.261 119.360 120.570 0.085 0.000 2.530 26 I HA 0.408 4.578 4.170 -0.000 0.000 0.297 26 I C 0.832 176.964 176.117 0.025 0.000 1.011 26 I CA 0.198 61.542 61.300 0.073 0.000 1.107 26 I CB 1.915 39.968 38.000 0.087 0.000 1.285 26 I HN 0.508 nan 8.210 nan 0.000 0.436 27 S N 3.364 119.065 115.700 0.002 0.000 2.346 27 S HA 0.293 4.763 4.470 -0.000 0.000 0.204 27 S C 1.456 176.038 174.600 -0.029 0.000 1.008 27 S CA 0.518 58.706 58.200 -0.020 0.000 0.925 27 S CB -0.269 62.907 63.200 -0.039 0.000 0.903 27 S HN 0.988 nan 8.310 nan 0.000 0.537 28 A N 1.720 124.509 122.820 -0.051 0.000 2.829 28 A HA -0.194 4.126 4.320 -0.000 0.000 0.267 28 A C 0.796 178.341 177.584 -0.065 0.000 1.370 28 A CA 0.689 52.688 52.037 -0.063 0.000 0.900 28 A CB -2.748 16.232 19.000 -0.034 0.000 1.044 28 A HN 1.368 nan 8.150 nan 0.000 0.691 29 S N -0.383 115.279 115.700 -0.063 0.000 3.332 29 S HA -0.076 4.394 4.470 -0.000 0.000 0.398 29 S C 0.729 175.300 174.600 -0.048 0.000 1.174 29 S CA 0.892 59.062 58.200 -0.050 0.000 0.953 29 S CB 0.009 63.178 63.200 -0.052 0.000 0.664 29 S HN 0.654 nan 8.310 nan 0.000 0.491 30 E N 2.527 122.711 120.200 -0.027 0.000 2.219 30 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 30 E C 2.179 178.771 176.600 -0.012 0.000 0.998 30 E CA 1.219 57.608 56.400 -0.018 0.000 0.818 30 E CB -0.314 29.382 29.700 -0.008 0.000 0.741 30 E HN 0.831 nan 8.360 nan 0.000 0.477 31 S N 0.738 116.432 115.700 -0.011 0.000 2.372 31 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 31 S C 1.881 176.490 174.600 0.015 0.000 1.044 31 S CA 1.323 59.528 58.200 0.008 0.000 1.050 31 S CB -0.162 63.043 63.200 0.008 0.000 0.901 31 S HN 0.259 nan 8.310 nan 0.000 0.447 32 I N 0.573 121.119 120.570 -0.040 0.000 2.716 32 I HA -0.047 4.123 4.170 -0.000 0.000 0.259 32 I C 2.345 178.437 176.117 -0.042 0.000 1.172 32 I CA 0.966 62.222 61.300 -0.073 0.000 1.478 32 I CB -0.553 37.246 38.000 -0.335 0.000 1.104 32 I HN 0.307 nan 8.210 nan 0.000 0.439 33 T N 1.614 116.143 114.554 -0.042 0.000 2.788 33 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 33 T C 1.941 176.644 174.700 0.005 0.000 1.044 33 T CA 1.484 63.569 62.100 -0.024 0.000 1.139 33 T CB -0.250 68.605 68.868 -0.022 0.000 0.867 33 T HN 0.495 nan 8.240 nan 0.000 0.454 34 R N 0.995 121.505 120.500 0.016 0.000 2.062 34 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 34 R C 2.349 178.678 176.300 0.048 0.000 1.125 34 R CA 1.366 57.483 56.100 0.030 0.000 0.966 34 R CB -1.303 29.014 30.300 0.028 0.000 0.861 34 R HN 0.113 nan 8.270 nan 0.000 0.433 35 T N 1.514 116.109 114.554 0.068 0.000 2.699 35 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 35 T C 1.965 176.715 174.700 0.083 0.000 1.036 35 T CA 1.756 63.913 62.100 0.097 0.000 1.147 35 T CB -0.193 68.781 68.868 0.177 0.000 0.862 35 T HN 0.065 nan 8.240 nan 0.000 0.446 36 V N 2.432 122.399 119.914 0.089 0.000 2.667 36 V HA -0.105 4.015 4.120 -0.000 0.000 0.252 36 V C 2.479 178.596 176.094 0.039 0.000 1.065 36 V CA 1.211 63.547 62.300 0.059 0.000 1.083 36 V CB -0.607 31.243 31.823 0.044 0.000 0.692 36 V HN 0.547 nan 8.190 nan 0.000 0.468 37 N N 1.793 120.519 118.700 0.043 0.000 2.051 37 N HA -0.191 4.549 4.740 -0.000 0.000 0.192 37 N C 1.613 177.159 175.510 0.060 0.000 1.049 37 N CA 2.109 55.188 53.050 0.048 0.000 0.845 37 N CB -0.265 38.243 38.487 0.036 0.000 1.031 37 N HN 0.621 nan 8.380 nan 0.000 0.425 38 D N 0.671 121.106 120.400 0.059 0.000 2.265 38 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 38 D C 2.135 178.498 176.300 0.106 0.000 0.977 38 D CA 0.692 54.735 54.000 0.073 0.000 0.871 38 D CB -0.724 40.120 40.800 0.073 0.000 0.925 38 D HN 0.468 nan 8.370 nan 0.000 0.485 39 I N -0.078 120.540 120.570 0.080 0.000 2.286 39 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 39 I C 2.444 178.622 176.117 0.103 0.000 1.104 39 I CA 0.591 61.918 61.300 0.045 0.000 1.397 39 I CB -0.047 37.862 38.000 -0.151 0.000 1.072 39 I HN 0.020 nan 8.210 nan 0.000 0.417 40 L N 0.057 121.356 121.223 0.126 0.000 2.005 40 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 40 L C 2.253 179.260 176.870 0.229 0.000 1.072 40 L CA 1.313 56.319 54.840 0.276 0.000 0.744 40 L CB -0.942 41.318 42.059 0.335 0.000 0.895 40 L HN 0.276 nan 8.230 nan 0.000 0.433 41 D N 0.287 120.744 120.400 0.096 0.000 2.126 41 D HA -0.285 4.355 4.640 -0.000 0.000 0.190 41 D C 1.791 178.102 176.300 0.018 0.000 1.001 41 D CA 1.901 55.897 54.000 -0.007 0.000 0.841 41 D CB -0.496 40.306 40.800 0.004 0.000 0.949 41 D HN 0.427 nan 8.370 nan 0.000 0.446 42 N N 0.240 118.994 118.700 0.091 0.000 2.094 42 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 42 N C 1.916 177.501 175.510 0.125 0.000 1.023 42 N CA 0.989 54.106 53.050 0.112 0.000 0.857 42 N CB 0.171 38.776 38.487 0.198 0.000 1.013 42 N HN -0.059 nan 8.380 nan 0.000 0.426 43 V N 0.867 120.897 119.914 0.194 0.000 2.515 43 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 43 V C 2.250 178.438 176.094 0.157 0.000 1.058 43 V CA 1.462 63.887 62.300 0.208 0.000 1.064 43 V CB -0.438 31.545 31.823 0.267 0.000 0.675 43 V HN 0.356 nan 8.190 nan 0.000 0.461 44 K N 0.281 120.717 120.400 0.061 0.000 2.155 44 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 44 K C 2.015 178.556 176.600 -0.098 0.000 1.052 44 K CA 1.319 57.517 56.287 -0.147 0.000 0.948 44 K CB -0.149 31.929 32.500 -0.704 0.000 0.728 44 K HN 0.425 nan 8.250 nan 0.000 0.448 45 A N 0.920 123.703 122.820 -0.060 0.000 1.887 45 A HA 0.079 4.399 4.320 -0.000 0.000 0.212 45 A C 1.337 178.913 177.584 -0.014 0.000 1.198 45 A CA 0.492 52.503 52.037 -0.043 0.000 0.628 45 A CB 0.042 19.018 19.000 -0.040 0.000 0.847 45 A HN 0.226 nan 8.150 nan 0.000 0.449 46 R N 0.013 120.517 120.500 0.006 0.000 2.696 46 R HA 0.289 4.629 4.340 -0.000 0.000 0.355 46 R C 1.277 177.591 176.300 0.023 0.000 1.138 46 R CA 0.183 56.287 56.100 0.007 0.000 1.059 46 R CB 0.029 30.327 30.300 -0.004 0.000 1.380 46 R HN 0.485 nan 8.270 nan 0.000 0.578 47 G N 2.402 111.224 108.800 0.036 0.000 2.774 47 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.760 47 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.760 47 G C 0.626 175.553 174.900 0.045 0.000 1.114 47 G CA 1.348 46.476 45.100 0.047 0.000 0.849 47 G HN 0.297 nan 8.290 nan 0.000 0.796 48 D N 0.066 120.483 120.400 0.027 0.000 2.149 48 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 48 D C 2.208 178.522 176.300 0.023 0.000 1.001 48 D CA 1.548 55.564 54.000 0.026 0.000 0.849 48 D CB -0.418 40.392 40.800 0.017 0.000 0.939 48 D HN 0.701 nan 8.370 nan 0.000 0.449 49 E N 0.068 120.273 120.200 0.008 0.000 2.118 49 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 49 E C 1.893 178.471 176.600 -0.037 0.000 0.992 49 E CA 1.164 57.556 56.400 -0.012 0.000 0.804 49 E CB 0.005 29.694 29.700 -0.018 0.000 0.741 49 E HN 0.249 nan 8.360 nan 0.000 0.458 50 A N 1.020 123.827 122.820 -0.021 0.000 1.854 50 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 50 A C 2.209 179.790 177.584 -0.005 0.000 1.192 50 A CA 0.979 52.975 52.037 -0.067 0.000 0.611 50 A CB -0.673 18.363 19.000 0.060 0.000 0.832 50 A HN 0.294 nan 8.150 nan 0.000 0.442 51 L N -0.750 120.550 121.223 0.128 0.000 2.043 51 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 51 L C 2.811 179.763 176.870 0.137 0.000 1.075 51 L CA 1.657 56.614 54.840 0.195 0.000 0.752 51 L CB -0.573 41.563 42.059 0.127 0.000 0.891 51 L HN 0.393 nan 8.230 nan 0.000 0.432 52 R N -0.058 120.476 120.500 0.058 0.000 2.189 52 R HA -0.114 4.226 4.340 -0.000 0.000 0.218 52 R C 1.923 178.225 176.300 0.004 0.000 1.074 52 R CA 0.835 56.958 56.100 0.038 0.000 0.991 52 R CB -0.133 30.179 30.300 0.020 0.000 0.883 52 R HN 0.523 nan 8.270 nan 0.000 0.457 53 E N -0.442 119.712 120.200 -0.076 0.000 2.285 53 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 53 E C 0.967 177.479 176.600 -0.148 0.000 0.997 53 E CA 0.788 57.088 56.400 -0.166 0.000 0.845 53 E CB 0.145 29.654 29.700 -0.318 0.000 0.782 53 E HN 0.468 nan 8.360 nan 0.000 0.491 54 Y N 0.022 120.349 120.300 0.044 0.000 2.500 54 Y HA -0.054 4.496 4.550 -0.000 0.000 0.270 54 Y C 2.643 178.595 175.900 0.086 0.000 1.134 54 Y CA 0.404 58.539 58.100 0.059 0.000 1.293 54 Y CB 0.446 38.941 38.460 0.057 0.000 1.063 54 Y HN 0.091 nan 8.280 nan 0.000 0.534 55 S N -0.039 115.778 115.700 0.194 0.000 2.362 55 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 55 S C 2.263 176.909 174.600 0.077 0.000 1.032 55 S CA 0.635 58.914 58.200 0.130 0.000 0.973 55 S CB -0.670 62.583 63.200 0.087 0.000 0.849 55 S HN 0.309 nan 8.310 nan 0.000 0.465 56 A N 3.052 125.906 122.820 0.058 0.000 1.873 56 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 56 A C 2.182 179.795 177.584 0.049 0.000 1.193 56 A CA 2.080 54.136 52.037 0.031 0.000 0.629 56 A CB -0.979 18.030 19.000 0.016 0.000 0.826 56 A HN 0.695 nan 8.150 nan 0.000 0.447 57 K N -1.521 118.935 120.400 0.094 0.000 1.969 57 K HA -0.169 4.151 4.320 -0.000 0.000 0.223 57 K C 0.327 177.021 176.600 0.157 0.000 1.048 57 K CA 1.377 57.741 56.287 0.128 0.000 0.983 57 K CB -0.363 32.251 32.500 0.190 0.000 0.738 57 K HN 0.288 nan 8.250 nan 0.000 0.446 58 F N 2.738 122.712 119.950 0.041 0.000 2.421 58 F HA 0.205 4.732 4.527 -0.000 0.000 0.358 58 F C -0.779 175.037 175.800 0.026 0.000 1.115 58 F CA 0.048 58.056 58.000 0.013 0.000 1.160 58 F CB -0.262 38.727 39.000 -0.018 0.000 1.123 58 F HN 0.598 nan 8.300 nan 0.000 0.508 59 D N 3.543 123.587 120.400 -0.593 0.000 10.730 59 D HA -0.216 4.424 4.640 -0.000 0.000 0.336 59 D C -1.429 174.738 176.300 -0.221 0.000 3.136 59 D CA 0.127 53.807 54.000 -0.534 0.000 2.711 59 D CB 0.190 40.542 40.800 -0.747 0.000 1.218 59 D HN 0.673 nan 8.370 nan 0.000 0.943 60 K N 2.467 122.770 120.400 -0.162 0.000 2.183 60 K HA 0.531 4.851 4.320 -0.000 0.000 0.272 60 K C 0.209 176.767 176.600 -0.071 0.000 1.113 60 K CA 0.851 57.087 56.287 -0.085 0.000 0.949 60 K CB 0.381 32.844 32.500 -0.062 0.000 1.365 60 K HN 0.467 nan 8.250 nan 0.000 0.420 61 T N 0.986 115.509 114.554 -0.051 0.000 3.304 61 T HA -0.024 4.326 4.350 -0.000 0.000 0.269 61 T C -0.474 174.223 174.700 -0.005 0.000 0.895 61 T CA 0.802 62.886 62.100 -0.027 0.000 0.948 61 T CB -0.446 68.407 68.868 -0.026 0.000 1.242 61 T HN 0.787 nan 8.240 nan 0.000 0.522 62 T N 1.242 115.796 114.554 -0.000 0.000 3.558 62 T HA -0.176 4.174 4.350 -0.000 0.000 0.391 62 T C 0.202 174.914 174.700 0.020 0.000 0.766 62 T CA 0.418 62.524 62.100 0.011 0.000 1.951 62 T CB -3.074 65.796 68.868 0.004 0.000 1.743 62 T HN 0.802 nan 8.240 nan 0.000 0.688 63 V N 2.255 122.188 119.914 0.032 0.000 2.726 63 V HA 0.196 4.316 4.120 -0.000 0.000 0.304 63 V C 1.701 177.820 176.094 0.041 0.000 1.115 63 V CA 1.646 63.972 62.300 0.044 0.000 1.264 63 V CB 0.430 32.293 31.823 0.067 0.000 0.867 63 V HN 1.087 nan 8.190 nan 0.000 0.498 64 T N 4.624 119.202 114.554 0.040 0.000 3.535 64 T HA 0.418 4.768 4.350 -0.000 0.000 0.223 64 T C 0.774 175.504 174.700 0.049 0.000 0.933 64 T CA 0.342 62.464 62.100 0.037 0.000 1.445 64 T CB -0.206 68.679 68.868 0.028 0.000 1.286 64 T HN 1.347 nan 8.240 nan 0.000 0.436 65 A N 1.599 124.451 122.820 0.053 0.000 2.347 65 A HA 0.626 4.946 4.320 -0.000 0.000 0.287 65 A C 1.255 178.899 177.584 0.100 0.000 1.199 65 A CA -0.543 51.536 52.037 0.070 0.000 0.851 65 A CB -0.364 18.671 19.000 0.058 0.000 1.118 65 A HN 0.634 nan 8.150 nan 0.000 0.525 66 L N 1.867 123.172 121.223 0.138 0.000 2.093 66 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 66 L C 1.619 178.683 176.870 0.323 0.000 1.085 66 L CA 1.119 56.087 54.840 0.213 0.000 0.755 66 L CB -0.196 41.978 42.059 0.192 0.000 0.904 66 L HN 0.728 nan 8.230 nan 0.000 0.435 67 K N 1.081 121.660 120.400 0.299 0.000 2.297 67 K HA 0.243 4.563 4.320 -0.000 0.000 0.286 67 K C -0.624 175.983 176.600 0.011 0.000 1.053 67 K CA -0.404 55.960 56.287 0.129 0.000 0.940 67 K CB 1.198 33.774 32.500 0.128 0.000 1.019 67 K HN -0.218 nan 8.250 nan 0.000 0.475 68 V N 4.387 124.259 119.914 -0.070 0.000 2.572 68 V HA -0.032 4.088 4.120 -0.000 0.000 0.291 68 V C 0.633 176.695 176.094 -0.053 0.000 1.039 68 V CA -0.210 62.062 62.300 -0.048 0.000 1.055 68 V CB 0.847 32.632 31.823 -0.064 0.000 0.969 68 V HN 0.997 nan 8.190 nan 0.000 0.482 69 S N 4.611 120.296 115.700 -0.025 0.000 2.589 69 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 69 S C 1.302 175.884 174.600 -0.030 0.000 1.342 69 S CA 0.022 58.209 58.200 -0.022 0.000 1.005 69 S CB 1.331 64.526 63.200 -0.007 0.000 0.909 69 S HN 1.033 nan 8.310 nan 0.000 0.555 70 A N 0.930 123.734 122.820 -0.027 0.000 1.968 70 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 70 A C 1.965 179.539 177.584 -0.018 0.000 1.169 70 A CA 1.337 53.357 52.037 -0.027 0.000 0.638 70 A CB -0.975 18.011 19.000 -0.024 0.000 0.812 70 A HN 0.859 nan 8.150 nan 0.000 0.446 71 E N 0.462 120.655 120.200 -0.012 0.000 2.072 71 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 71 E C 1.822 178.419 176.600 -0.006 0.000 0.985 71 E CA 1.377 57.773 56.400 -0.007 0.000 0.801 71 E CB -0.313 29.385 29.700 -0.005 0.000 0.750 71 E HN 0.740 nan 8.360 nan 0.000 0.452 72 E N 0.056 120.251 120.200 -0.008 0.000 2.204 72 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 72 E C 1.944 178.540 176.600 -0.006 0.000 0.990 72 E CA 0.694 57.090 56.400 -0.007 0.000 0.821 72 E CB -0.086 29.610 29.700 -0.008 0.000 0.750 72 E HN 0.303 nan 8.360 nan 0.000 0.477 73 I N 0.672 121.236 120.570 -0.011 0.000 2.406 73 I HA -0.153 4.017 4.170 -0.000 0.000 0.249 73 I C 2.476 178.601 176.117 0.013 0.000 1.122 73 I CA 0.567 61.863 61.300 -0.006 0.000 1.431 73 I CB -0.163 37.822 38.000 -0.025 0.000 1.087 73 I HN 0.050 nan 8.210 nan 0.000 0.424 74 A N 0.832 123.656 122.820 0.007 0.000 1.969 74 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 74 A C 2.512 180.104 177.584 0.014 0.000 1.169 74 A CA 1.688 53.734 52.037 0.015 0.000 0.635 74 A CB -0.626 18.377 19.000 0.005 0.000 0.810 74 A HN 0.413 nan 8.150 nan 0.000 0.445 75 A N -0.010 122.813 122.820 0.005 0.000 1.873 75 A HA 0.192 4.512 4.320 -0.000 0.000 0.215 75 A C 2.523 180.104 177.584 -0.005 0.000 1.186 75 A CA 1.990 54.026 52.037 -0.002 0.000 0.616 75 A CB -1.075 17.922 19.000 -0.005 0.000 0.823 75 A HN 1.021 nan 8.150 nan 0.000 0.442 76 A N -0.361 122.460 122.820 0.002 0.000 1.883 76 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 76 A C 2.435 180.015 177.584 -0.006 0.000 1.186 76 A CA 2.179 54.215 52.037 -0.002 0.000 0.624 76 A CB -1.002 18.005 19.000 0.011 0.000 0.822 76 A HN 0.464 nan 8.150 nan 0.000 0.444 77 S N -0.438 115.288 115.700 0.045 0.000 2.370 77 S HA -0.184 4.285 4.470 -0.000 0.000 0.226 77 S C 1.964 176.530 174.600 -0.055 0.000 1.033 77 S CA 1.375 59.615 58.200 0.066 0.000 1.011 77 S CB -0.304 63.023 63.200 0.211 0.000 0.852 77 S HN 0.667 nan 8.310 nan 0.000 0.457 78 E N 1.438 121.620 120.200 -0.030 0.000 2.204 78 E HA -0.069 4.280 4.350 -0.000 0.000 0.194 78 E C 1.770 178.329 176.600 -0.069 0.000 0.989 78 E CA 0.672 57.044 56.400 -0.047 0.000 0.824 78 E CB -0.059 29.626 29.700 -0.025 0.000 0.756 78 E HN 0.425 nan 8.360 nan 0.000 0.477 79 R N -0.173 120.285 120.500 -0.069 0.000 2.307 79 R HA 0.158 4.498 4.340 -0.000 0.000 0.199 79 R C 0.634 176.871 176.300 -0.106 0.000 1.000 79 R CA 0.001 56.058 56.100 -0.073 0.000 1.023 79 R CB 0.190 30.458 30.300 -0.054 0.000 0.908 79 R HN 0.111 nan 8.270 nan 0.000 0.473 80 L N 1.144 122.270 121.223 -0.161 0.000 2.357 80 L HA 0.175 4.515 4.340 -0.000 0.000 0.273 80 L C 0.764 177.512 176.870 -0.203 0.000 1.080 80 L CA -0.537 54.170 54.840 -0.220 0.000 0.803 80 L CB 1.518 43.353 42.059 -0.374 0.000 1.174 80 L HN 0.081 nan 8.230 nan 0.000 0.443 81 S N -0.357 115.236 115.700 -0.177 0.000 2.593 81 S HA 0.072 4.542 4.470 -0.000 0.000 0.269 81 S C 0.453 174.959 174.600 -0.156 0.000 1.334 81 S CA -0.707 57.411 58.200 -0.137 0.000 1.015 81 S CB 1.236 64.375 63.200 -0.102 0.000 0.912 81 S HN 0.570 nan 8.310 nan 0.000 0.541 82 D N 0.709 121.042 120.400 -0.111 0.000 2.144 82 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 82 D C 1.771 178.022 176.300 -0.082 0.000 0.978 82 D CA 1.355 55.298 54.000 -0.095 0.000 0.833 82 D CB -0.370 40.394 40.800 -0.061 0.000 0.961 82 D HN 0.875 nan 8.370 nan 0.000 0.470 83 E N 0.015 120.173 120.200 -0.071 0.000 2.058 83 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 83 E C 2.043 178.608 176.600 -0.059 0.000 0.997 83 E CA 0.713 57.081 56.400 -0.053 0.000 0.801 83 E CB -0.048 29.624 29.700 -0.047 0.000 0.746 83 E HN 0.099 nan 8.360 nan 0.000 0.450 84 L N 1.368 122.534 121.223 -0.094 0.000 2.005 84 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 84 L C 2.100 178.905 176.870 -0.110 0.000 1.072 84 L CA 1.881 56.657 54.840 -0.107 0.000 0.744 84 L CB -0.386 41.566 42.059 -0.178 0.000 0.895 84 L HN -0.038 nan 8.230 nan 0.000 0.433 85 K N -0.806 119.477 120.400 -0.194 0.000 2.113 85 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 85 K C 2.117 178.724 176.600 0.012 0.000 1.047 85 K CA 2.110 58.297 56.287 -0.167 0.000 0.928 85 K CB -0.207 32.127 32.500 -0.276 0.000 0.716 85 K HN 0.489 nan 8.250 nan 0.000 0.446 86 Q N 0.243 120.037 119.800 -0.011 0.000 2.123 86 Q HA 0.005 4.345 4.340 -0.000 0.000 0.199 86 Q C 0.854 176.875 176.000 0.036 0.000 0.966 86 Q CA 0.738 56.552 55.803 0.018 0.000 0.845 86 Q CB -0.033 28.705 28.738 0.000 0.000 0.907 86 Q HN 0.297 nan 8.270 nan 0.000 0.439 90 V N 1.304 121.257 119.914 0.065 0.000 2.295 90 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 90 V C 3.026 179.162 176.094 0.070 0.000 1.049 90 V CA 2.649 64.984 62.300 0.058 0.000 1.024 90 V CB -1.281 30.575 31.823 0.055 0.000 0.648 90 V HN 0.719 nan 8.190 nan 0.000 0.447 91 A N 0.079 122.954 122.820 0.092 0.000 1.859 91 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 91 A C 2.411 180.040 177.584 0.076 0.000 1.198 91 A CA 2.441 54.541 52.037 0.105 0.000 0.629 91 A CB -0.962 18.128 19.000 0.151 0.000 0.830 91 A HN 0.318 nan 8.150 nan 0.000 0.446 92 V N 0.510 120.461 119.914 0.063 0.000 2.332 92 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 92 V C 2.589 178.697 176.094 0.025 0.000 1.055 92 V CA 2.505 64.821 62.300 0.026 0.000 1.038 92 V CB -0.730 31.099 31.823 0.010 0.000 0.651 92 V HN 0.701 nan 8.190 nan 0.000 0.450 93 K N 0.068 120.489 120.400 0.035 0.000 2.057 93 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 93 K C 2.028 178.659 176.600 0.052 0.000 1.049 93 K CA 1.893 58.201 56.287 0.035 0.000 0.931 93 K CB -0.174 32.346 32.500 0.033 0.000 0.714 93 K HN 0.443 nan 8.250 nan 0.000 0.440 94 N N 0.978 119.716 118.700 0.062 0.000 2.142 94 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 94 N C 1.910 177.495 175.510 0.124 0.000 1.023 94 N CA 1.130 54.228 53.050 0.079 0.000 0.852 94 N CB -0.187 38.339 38.487 0.065 0.000 0.998 94 N HN 0.246 nan 8.380 nan 0.000 0.424 95 I N 1.288 121.927 120.570 0.115 0.000 2.226 95 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 95 I C 2.437 178.674 176.117 0.200 0.000 1.100 95 I CA 1.093 62.496 61.300 0.173 0.000 1.374 95 I CB -0.230 37.793 38.000 0.039 0.000 1.057 95 I HN 0.231 nan 8.210 nan 0.000 0.413 96 E N 0.702 120.949 120.200 0.079 0.000 2.085 96 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 96 E C 2.010 178.668 176.600 0.096 0.000 0.994 96 E CA 1.938 58.367 56.400 0.047 0.000 0.801 96 E CB 0.029 29.731 29.700 0.004 0.000 0.743 96 E HN 0.386 nan 8.360 nan 0.000 0.453 97 T N 0.296 114.919 114.554 0.114 0.000 2.821 97 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 97 T C 1.266 176.067 174.700 0.168 0.000 1.046 97 T CA 1.108 63.276 62.100 0.113 0.000 1.139 97 T CB -0.334 68.594 68.868 0.101 0.000 0.871 97 T HN 0.239 nan 8.240 nan 0.000 0.454 98 F N 1.391 121.373 119.950 0.054 0.000 2.187 98 F HA 0.000 4.527 4.527 0.000 0.000 0.295 98 F C 2.351 178.117 175.800 -0.056 0.000 1.091 98 F CA 1.042 59.041 58.000 -0.002 0.000 1.308 98 F CB -0.368 38.624 39.000 -0.012 0.000 1.030 98 F HN 0.286 nan 8.300 nan 0.000 0.487 99 H N -1.357 117.657 119.070 -0.093 0.000 2.395 99 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 99 H C 2.041 177.264 175.328 -0.174 0.000 1.070 99 H CA 1.615 57.537 56.048 -0.210 0.000 1.356 99 H CB -0.402 29.293 29.762 -0.112 0.000 1.401 99 H HN 0.209 nan 8.280 nan 0.000 0.524 100 T N 0.954 115.512 114.554 0.006 0.000 2.803 100 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 100 T C 2.203 176.864 174.700 -0.065 0.000 1.052 100 T CA 0.984 63.069 62.100 -0.024 0.000 1.136 100 T CB -0.266 68.599 68.868 -0.004 0.000 0.864 100 T HN 0.419 nan 8.240 nan 0.000 0.467 101 A N 0.943 123.703 122.820 -0.101 0.000 2.121 101 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 101 A C 2.073 179.550 177.584 -0.178 0.000 1.154 101 A CA 0.909 52.875 52.037 -0.118 0.000 0.679 101 A CB -0.414 18.526 19.000 -0.100 0.000 0.795 101 A HN 0.535 nan 8.150 nan 0.000 0.458 102 Q N -0.016 119.637 119.800 -0.246 0.000 2.451 102 Q HA 0.050 4.390 4.340 -0.000 0.000 0.206 102 Q C -0.126 175.802 176.000 -0.120 0.000 0.947 102 Q CA 0.058 55.721 55.803 -0.234 0.000 0.937 102 Q CB 0.070 28.614 28.738 -0.323 0.000 1.025 102 Q HN 0.486 nan 8.270 nan 0.000 0.511 103 K N 1.554 121.903 120.400 -0.085 0.000 2.491 103 K HA -0.019 4.301 4.320 -0.000 0.000 0.279 103 K C -0.352 176.224 176.600 -0.040 0.000 1.026 103 K CA 0.315 56.574 56.287 -0.047 0.000 1.070 103 K CB 0.371 32.850 32.500 -0.035 0.000 0.887 103 K HN 0.193 nan 8.250 nan 0.000 0.481 104 L N 6.505 127.712 121.223 -0.027 0.000 2.360 104 L HA 0.148 4.488 4.340 -0.000 0.000 0.276 104 L C -1.418 175.443 176.870 -0.015 0.000 1.121 104 L CA -1.839 52.989 54.840 -0.021 0.000 0.845 104 L CB 0.180 42.232 42.059 -0.012 0.000 1.143 104 L HN 0.444 nan 8.230 nan 0.000 0.452 105 P HA 0.204 nan 4.420 nan 0.000 0.271 105 P C -2.469 174.827 177.300 -0.006 0.000 1.216 105 P CA -1.133 61.961 63.100 -0.010 0.000 0.776 105 P CB -0.016 31.677 31.700 -0.010 0.000 0.881 106 P HA 0.049 nan 4.420 nan 0.000 0.269 106 P C -0.552 176.748 177.300 -0.000 0.000 1.209 106 P CA 0.063 63.163 63.100 -0.001 0.000 0.776 106 P CB 0.474 32.174 31.700 0.000 0.000 0.876 107 V N 2.991 122.906 119.914 0.001 0.000 2.370 107 V HA 0.342 4.462 4.120 -0.000 0.000 0.279 107 V C 0.058 176.154 176.094 0.004 0.000 1.029 107 V CA 0.100 62.401 62.300 0.002 0.000 0.870 107 V CB 1.065 32.890 31.823 0.003 0.000 0.984 107 V HN 0.627 nan 8.190 nan 0.000 0.451 108 D N 3.821 124.224 120.400 0.004 0.000 2.365 108 D HA 0.484 5.124 4.640 -0.000 0.000 0.235 108 D C -1.433 174.870 176.300 0.005 0.000 1.368 108 D CA -0.065 53.938 54.000 0.005 0.000 1.001 108 D CB 1.855 42.657 40.800 0.004 0.000 1.364 108 D HN 0.422 nan 8.370 nan 0.000 0.577 109 V N 2.503 122.421 119.914 0.007 0.000 3.114 109 V HA 0.572 4.692 4.120 -0.000 0.000 0.308 109 V C -1.288 174.811 176.094 0.009 0.000 1.168 109 V CA -0.639 61.665 62.300 0.007 0.000 1.015 109 V CB 2.341 34.168 31.823 0.006 0.000 1.050 109 V HN 0.408 nan 8.190 nan 0.000 0.433 110 E N 2.080 122.285 120.200 0.008 0.000 2.073 110 E HA 0.261 4.611 4.350 -0.000 0.000 0.269 110 E C 0.927 177.532 176.600 0.009 0.000 0.917 110 E CA 0.360 56.766 56.400 0.010 0.000 0.757 110 E CB 1.543 31.249 29.700 0.010 0.000 1.111 110 E HN 0.953 nan 8.360 nan 0.000 0.410 111 T N 0.918 115.478 114.554 0.009 0.000 2.833 111 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 111 T C 0.767 175.470 174.700 0.005 0.000 1.054 111 T CA 1.049 63.153 62.100 0.007 0.000 1.135 111 T CB 0.207 69.079 68.868 0.008 0.000 0.869 111 T HN 0.338 nan 8.240 nan 0.000 0.466 112 Q N 0.382 120.187 119.800 0.007 0.000 2.456 112 Q HA 0.424 4.764 4.340 -0.000 0.000 0.284 112 Q C -3.133 172.872 176.000 0.008 0.000 1.061 112 Q CA -2.781 53.024 55.803 0.004 0.000 0.799 112 Q CB 2.601 31.340 28.738 0.001 0.000 1.445 112 Q HN 0.034 nan 8.270 nan 0.000 0.411 113 P HA 0.006 nan 4.420 nan 0.000 0.263 113 P C 0.276 177.586 177.300 0.016 0.000 1.195 113 P CA 1.269 64.374 63.100 0.010 0.000 0.762 113 P CB 0.315 32.020 31.700 0.007 0.000 0.799 114 G N 1.918 110.731 108.800 0.020 0.000 2.179 114 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 114 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 114 G C 0.009 174.932 174.900 0.038 0.000 0.977 114 G CA -0.130 44.988 45.100 0.030 0.000 0.641 114 G HN 0.506 nan 8.290 nan 0.000 0.533 115 V N 1.455 121.387 119.914 0.030 0.000 2.250 115 V HA 0.436 4.556 4.120 -0.000 0.000 0.268 115 V C 0.652 176.761 176.094 0.025 0.000 1.043 115 V CA -0.636 61.684 62.300 0.033 0.000 0.814 115 V CB 1.106 32.946 31.823 0.028 0.000 1.072 115 V HN 0.416 nan 8.190 nan 0.000 0.451 116 R N 3.319 123.834 120.500 0.025 0.000 2.216 116 R HA 0.514 4.854 4.340 -0.000 0.000 0.332 116 R C -1.018 175.293 176.300 0.018 0.000 1.056 116 R CA -0.160 55.952 56.100 0.019 0.000 0.901 116 R CB 0.546 30.856 30.300 0.017 0.000 1.039 116 R HN 0.655 nan 8.270 nan 0.000 0.456 117 C N 4.268 123.577 119.300 0.015 0.000 2.379 117 C HA 0.473 4.933 4.460 -0.000 0.000 0.323 117 C C -0.545 174.451 174.990 0.011 0.000 1.262 117 C CA -0.660 58.366 59.018 0.014 0.000 1.581 117 C CB 1.463 29.212 27.740 0.014 0.000 2.221 117 C HN 0.805 nan 8.230 nan 0.000 0.497 118 Q N 1.208 121.014 119.800 0.010 0.000 2.451 118 Q HA 0.600 4.940 4.340 -0.000 0.000 0.281 118 Q C -1.198 174.807 176.000 0.008 0.000 1.099 118 Q CA -0.583 55.225 55.803 0.008 0.000 0.806 118 Q CB 2.431 31.174 28.738 0.008 0.000 1.419 118 Q HN 0.738 nan 8.270 nan 0.000 0.427 119 Q N 1.558 121.362 119.800 0.007 0.000 2.310 119 Q HA 0.567 4.907 4.340 -0.000 0.000 0.270 119 Q C -1.398 174.606 176.000 0.006 0.000 1.025 119 Q CA -0.575 55.232 55.803 0.007 0.000 0.772 119 Q CB 1.873 30.614 28.738 0.006 0.000 1.253 119 Q HN 0.601 nan 8.270 nan 0.000 0.450 120 V N 0.246 120.164 119.914 0.008 0.000 3.113 120 V HA 0.829 4.949 4.120 -0.000 0.000 0.316 120 V C -0.303 175.798 176.094 0.011 0.000 1.125 120 V CA -0.612 61.693 62.300 0.008 0.000 1.026 120 V CB 1.661 33.489 31.823 0.008 0.000 1.080 120 V HN 0.825 nan 8.190 nan 0.000 0.444 121 T N 0.445 115.006 114.554 0.012 0.000 2.856 121 T HA 0.806 5.156 4.350 -0.000 0.000 0.283 121 T C -0.530 174.182 174.700 0.020 0.000 1.008 121 T CA -0.828 61.283 62.100 0.018 0.000 0.997 121 T CB 1.861 70.740 68.868 0.019 0.000 0.992 121 T HN 0.839 nan 8.240 nan 0.000 0.454 122 R N 2.398 122.914 120.500 0.027 0.000 2.686 122 R HA 0.584 4.924 4.340 -0.000 0.000 0.283 122 R C -2.883 173.443 176.300 0.043 0.000 0.978 122 R CA -2.450 53.667 56.100 0.030 0.000 0.897 122 R CB 2.109 32.424 30.300 0.026 0.000 1.192 122 R HN 0.569 nan 8.270 nan 0.000 0.457 123 P HA 0.135 nan 4.420 nan 0.000 0.276 123 P C -0.156 177.191 177.300 0.078 0.000 1.244 123 P CA -0.431 62.710 63.100 0.070 0.000 0.801 123 P CB 0.880 32.616 31.700 0.059 0.000 1.006 124 V N 2.625 122.605 119.914 0.110 0.000 2.479 124 V HA 0.044 4.164 4.120 -0.000 0.000 0.281 124 V C 1.995 178.150 176.094 0.101 0.000 1.031 124 V CA 0.773 63.137 62.300 0.106 0.000 1.038 124 V CB -0.113 31.798 31.823 0.146 0.000 0.981 124 V HN 0.768 nan 8.190 nan 0.000 0.478 125 A N 5.149 128.014 122.820 0.075 0.000 1.870 125 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 125 A C 1.221 178.852 177.584 0.079 0.000 1.224 125 A CA 2.176 54.253 52.037 0.066 0.000 0.650 125 A CB -0.347 18.684 19.000 0.052 0.000 0.836 125 A HN 1.142 nan 8.150 nan 0.000 0.454 126 S N -1.932 113.822 115.700 0.091 0.000 2.538 126 S HA 0.610 5.080 4.470 -0.000 0.000 0.288 126 S C -0.786 173.901 174.600 0.145 0.000 1.108 126 S CA -0.145 58.118 58.200 0.105 0.000 0.971 126 S CB 1.628 64.881 63.200 0.087 0.000 1.041 126 S HN 1.527 nan 8.310 nan 0.000 0.483 127 V N -0.481 119.540 119.914 0.178 0.000 2.789 127 V HA 1.004 5.124 4.120 -0.000 0.000 0.311 127 V C 0.139 176.375 176.094 0.236 0.000 1.073 127 V CA -0.483 61.977 62.300 0.266 0.000 0.921 127 V CB 1.285 33.316 31.823 0.346 0.000 1.009 127 V HN 1.266 nan 8.190 nan 0.000 0.426 128 G N 3.833 112.795 108.800 0.270 0.000 2.416 128 G HA2 0.682 4.642 3.960 -0.000 0.000 0.324 128 G HA3 0.682 4.642 3.960 -0.000 0.000 0.324 128 G C -0.960 174.117 174.900 0.294 0.000 1.194 128 G CA -0.897 44.344 45.100 0.236 0.000 0.922 128 G HN 0.874 nan 8.290 nan 0.000 0.467 129 L N 1.865 123.232 121.223 0.240 0.000 2.296 129 L HA 0.403 4.743 4.340 -0.000 0.000 0.286 129 L C -0.920 176.082 176.870 0.220 0.000 1.023 129 L CA -1.114 53.868 54.840 0.236 0.000 0.812 129 L CB 1.752 43.898 42.059 0.144 0.000 1.223 129 L HN 0.532 nan 8.230 nan 0.000 0.421 130 Y N 4.671 125.055 120.300 0.140 0.000 2.330 130 Y HA 0.556 5.106 4.550 -0.000 0.000 0.336 130 Y C -0.525 175.440 175.900 0.107 0.000 1.036 130 Y CA -0.733 57.433 58.100 0.110 0.000 1.125 130 Y CB 1.082 39.592 38.460 0.083 0.000 1.194 130 Y HN 0.320 nan 8.280 nan 0.000 0.469 131 I N 8.786 128.947 120.570 -0.680 0.000 2.439 131 I HA 0.309 4.479 4.170 -0.000 0.000 0.285 131 I C -2.587 173.232 176.117 -0.497 0.000 1.021 131 I CA -2.646 58.436 61.300 -0.364 0.000 1.091 131 I CB 1.491 39.403 38.000 -0.147 0.000 1.242 131 I HN 0.514 nan 8.210 nan 0.000 0.439 132 P HA 0.106 nan 4.420 nan 0.000 0.266 132 P C 0.570 177.882 177.300 0.020 0.000 1.195 132 P CA 0.293 63.404 63.100 0.018 0.000 0.768 132 P CB 0.967 32.755 31.700 0.146 0.000 0.838 133 G N 1.209 110.057 108.800 0.080 0.000 2.783 133 G HA2 0.596 4.556 3.960 -0.000 0.000 0.182 133 G HA3 0.596 4.556 3.960 -0.000 0.000 0.182 133 G C 0.180 175.144 174.900 0.107 0.000 1.516 133 G CA -0.144 45.009 45.100 0.088 0.000 1.079 133 G HN 0.835 nan 8.290 nan 0.000 0.573 134 G N -2.101 106.762 108.800 0.106 0.000 2.566 134 G HA2 0.205 4.165 3.960 -0.000 0.000 0.599 134 G HA3 0.205 4.165 3.960 -0.000 0.000 0.599 134 G C 1.059 176.006 174.900 0.077 0.000 1.292 134 G CA 0.676 45.834 45.100 0.098 0.000 0.922 134 G HN 1.631 nan 8.290 nan 0.000 0.514 135 S N -0.402 115.340 115.700 0.071 0.000 2.338 135 S HA 0.380 4.850 4.470 -0.000 0.000 0.218 135 S C 1.541 176.186 174.600 0.075 0.000 1.032 135 S CA 2.099 60.336 58.200 0.061 0.000 0.999 135 S CB -0.141 63.091 63.200 0.052 0.000 0.905 135 S HN 2.354 nan 8.310 nan 0.000 0.439 136 A N 4.027 126.898 122.820 0.086 0.000 2.412 136 A HA 0.642 4.962 4.320 -0.000 0.000 0.334 136 A C -2.367 175.292 177.584 0.125 0.000 1.419 136 A CA -1.632 50.470 52.037 0.108 0.000 0.930 136 A CB 0.152 19.209 19.000 0.094 0.000 1.149 136 A HN 0.485 nan 8.150 nan 0.000 0.515 137 P HA 0.366 nan 4.420 nan 0.000 0.288 137 P C -0.758 176.644 177.300 0.170 0.000 1.267 137 P CA -0.476 62.718 63.100 0.157 0.000 0.815 137 P CB 1.374 33.172 31.700 0.163 0.000 0.989 138 L N 3.996 125.270 121.223 0.084 0.000 2.437 138 L HA 0.144 4.484 4.340 -0.000 0.000 0.243 138 L C 1.519 178.357 176.870 -0.053 0.000 1.346 138 L CA -0.048 54.775 54.840 -0.029 0.000 1.233 138 L CB -1.578 40.476 42.059 -0.008 0.000 1.436 138 L HN 0.324 nan 8.230 nan 0.000 0.416 139 F N -1.201 118.827 119.950 0.129 0.000 2.411 139 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 139 F C 2.191 178.073 175.800 0.138 0.000 1.077 139 F CA 0.798 58.865 58.000 0.112 0.000 1.439 139 F CB -1.236 37.826 39.000 0.103 0.000 1.085 139 F HN 0.417 nan 8.300 nan 0.000 0.564 140 S N -0.515 114.968 115.700 -0.362 0.000 2.399 140 S HA -0.211 4.259 4.470 -0.000 0.000 0.231 140 S C 1.788 176.420 174.600 0.052 0.000 1.022 140 S CA 1.479 59.643 58.200 -0.059 0.000 0.983 140 S CB -1.478 61.732 63.200 0.016 0.000 0.803 140 S HN 0.505 nan 8.310 nan 0.000 0.480 141 T N 2.277 116.900 114.554 0.116 0.000 2.849 141 T HA -0.023 4.327 4.350 -0.000 0.000 0.270 141 T C 1.814 176.536 174.700 0.037 0.000 1.066 141 T CA 1.235 63.404 62.100 0.115 0.000 1.130 141 T CB -0.571 68.413 68.868 0.193 0.000 0.864 141 T HN 0.316 nan 8.240 nan 0.000 0.481 142 V N 1.331 121.285 119.914 0.068 0.000 2.295 142 V HA -0.059 4.061 4.120 -0.000 0.000 0.246 142 V C 1.620 177.708 176.094 -0.010 0.000 1.049 142 V CA 1.175 63.502 62.300 0.045 0.000 1.024 142 V CB -0.689 31.186 31.823 0.086 0.000 0.648 142 V HN 0.421 nan 8.190 nan 0.000 0.447 146 A N 0.152 122.843 122.820 -0.215 0.000 2.015 146 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 146 A C 2.044 179.435 177.584 -0.322 0.000 1.163 146 A CA 2.355 54.249 52.037 -0.238 0.000 0.646 146 A CB -0.609 18.308 19.000 -0.138 0.000 0.806 146 A HN 0.417 nan 8.150 nan 0.000 0.448 147 T N 0.486 114.838 114.554 -0.337 0.000 2.812 147 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 147 T C -0.277 174.143 174.700 -0.466 0.000 1.042 147 T CA 1.648 63.545 62.100 -0.338 0.000 1.140 147 T CB -0.952 67.742 68.868 -0.291 0.000 0.870 147 T HN 0.386 nan 8.240 nan 0.000 0.445 148 P HA 0.091 nan 4.420 nan 0.000 0.216 148 P C 1.520 178.256 177.300 -0.941 0.000 1.153 148 P CA 0.975 63.599 63.100 -0.793 0.000 0.844 148 P CB -0.178 30.960 31.700 -0.937 0.000 0.787 149 A N -0.459 121.587 122.820 -1.290 0.000 1.940 149 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 149 A C 2.507 179.882 177.584 -0.348 0.000 1.176 149 A CA 2.322 53.885 52.037 -0.789 0.000 0.631 149 A CB -1.679 17.017 19.000 -0.507 0.000 0.814 149 A HN 0.216 nan 8.150 nan 0.000 0.446 150 S N -0.416 115.094 115.700 -0.317 0.000 2.355 150 S HA -0.102 4.368 4.470 -0.000 0.000 0.222 150 S C 1.897 176.405 174.600 -0.154 0.000 1.031 150 S CA 1.400 59.486 58.200 -0.189 0.000 0.993 150 S CB -0.496 62.601 63.200 -0.171 0.000 0.859 150 S HN 0.494 nan 8.310 nan 0.000 0.453 151 I N 1.650 122.110 120.570 -0.183 0.000 2.394 151 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 151 I C 2.714 178.780 176.117 -0.086 0.000 1.136 151 I CA 1.027 62.255 61.300 -0.120 0.000 1.425 151 I CB -0.457 37.475 38.000 -0.113 0.000 1.079 151 I HN 0.378 nan 8.210 nan 0.000 0.425 152 A N 0.409 123.167 122.820 -0.103 0.000 2.067 152 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 152 A C 1.924 179.505 177.584 -0.005 0.000 1.158 152 A CA 1.222 53.245 52.037 -0.023 0.000 0.661 152 A CB -0.685 18.339 19.000 0.041 0.000 0.801 152 A HN 0.597 nan 8.150 nan 0.000 0.452 153 G N -2.237 106.546 108.800 -0.027 0.000 2.140 153 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.211 153 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.211 153 G C 0.087 174.992 174.900 0.008 0.000 1.013 153 G CA -0.213 44.880 45.100 -0.011 0.000 0.705 153 G HN 0.641 nan 8.290 nan 0.000 0.508 154 C N 0.404 119.711 119.300 0.012 0.000 2.634 154 C HA 0.346 4.806 4.460 -0.000 0.000 0.418 154 C C 2.057 177.063 174.990 0.027 0.000 1.373 154 C CA 0.669 59.713 59.018 0.043 0.000 1.756 154 C CB 1.117 28.899 27.740 0.070 0.000 2.589 154 C HN 0.666 nan 8.230 nan 0.000 0.602 155 K N 2.385 122.807 120.400 0.037 0.000 2.062 155 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 155 K C 0.666 177.286 176.600 0.033 0.000 1.051 155 K CA 1.599 57.903 56.287 0.029 0.000 0.941 155 K CB 0.061 32.580 32.500 0.032 0.000 0.719 155 K HN 0.711 nan 8.250 nan 0.000 0.440 156 K N 0.226 120.656 120.400 0.050 0.000 2.345 156 K HA 0.380 4.700 4.320 -0.000 0.000 0.255 156 K C -1.662 174.980 176.600 0.069 0.000 0.934 156 K CA -0.781 55.541 56.287 0.059 0.000 0.801 156 K CB 1.840 34.384 32.500 0.074 0.000 1.137 156 K HN -0.133 nan 8.250 nan 0.000 0.424 157 V N 5.219 125.165 119.914 0.055 0.000 2.447 157 V HA 0.330 4.450 4.120 -0.000 0.000 0.292 157 V C -0.516 175.613 176.094 0.059 0.000 1.021 157 V CA -0.863 61.468 62.300 0.052 0.000 0.850 157 V CB 1.335 33.157 31.823 -0.002 0.000 1.005 157 V HN 0.616 nan 8.190 nan 0.000 0.426 158 V N 3.402 123.382 119.914 0.109 0.000 3.001 158 V HA 0.861 4.981 4.120 -0.000 0.000 0.314 158 V C -1.049 175.128 176.094 0.139 0.000 1.099 158 V CA -0.969 61.410 62.300 0.131 0.000 0.989 158 V CB 2.316 34.313 31.823 0.291 0.000 1.040 158 V HN 0.746 nan 8.190 nan 0.000 0.434 159 L N 2.192 123.478 121.223 0.106 0.000 2.431 159 L HA 0.823 5.163 4.340 -0.000 0.000 0.266 159 L C -1.049 175.908 176.870 0.146 0.000 0.978 159 L CA -0.072 54.830 54.840 0.103 0.000 0.822 159 L CB 1.744 43.815 42.059 0.020 0.000 1.310 159 L HN 0.979 nan 8.230 nan 0.000 0.409 160 C N 2.256 121.652 119.300 0.160 0.000 2.493 160 C HA 0.874 5.334 4.460 -0.000 0.000 0.326 160 C C 0.004 174.968 174.990 -0.044 0.000 1.200 160 C CA -0.371 58.753 59.018 0.176 0.000 1.739 160 C CB 1.527 29.443 27.740 0.293 0.000 2.300 160 C HN 0.809 nan 8.230 nan 0.000 0.500 161 S N 1.859 117.551 115.700 -0.014 0.000 2.535 161 S HA 0.526 4.996 4.470 -0.000 0.000 0.272 161 S C -3.079 171.542 174.600 0.034 0.000 1.149 161 S CA -0.599 57.532 58.200 -0.116 0.000 0.888 161 S CB 1.664 64.806 63.200 -0.095 0.000 1.110 161 S HN 0.482 nan 8.310 nan 0.000 0.463 162 P HA 0.172 nan 4.420 nan 0.000 0.261 162 P C -2.519 174.838 177.300 0.094 0.000 1.183 162 P CA -0.594 62.603 63.100 0.162 0.000 0.761 162 P CB -0.094 31.755 31.700 0.248 0.000 0.785 163 P HA 0.238 nan 4.420 nan 0.000 0.282 163 P C -2.585 174.714 177.300 -0.001 0.000 1.249 163 P CA -2.164 60.960 63.100 0.039 0.000 0.806 163 P CB 0.102 31.830 31.700 0.046 0.000 0.984 164 P HA 0.315 nan 4.420 nan 0.000 0.280 164 P C -0.276 177.036 177.300 0.019 0.000 1.244 164 P CA -0.221 62.884 63.100 0.008 0.000 0.784 164 P CB 0.851 32.550 31.700 -0.001 0.000 0.913 165 I N 2.402 122.984 120.570 0.021 0.000 2.322 165 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 165 I C 1.231 177.361 176.117 0.022 0.000 1.060 165 I CA -0.670 60.644 61.300 0.024 0.000 1.309 165 I CB 0.703 38.713 38.000 0.017 0.000 1.415 165 I HN 0.391 nan 8.210 nan 0.000 0.492 166 A N 5.223 128.062 122.820 0.032 0.000 2.583 166 A HA -0.051 4.269 4.320 -0.000 0.000 0.231 166 A C 1.161 178.755 177.584 0.018 0.000 1.065 166 A CA -0.046 52.009 52.037 0.029 0.000 0.760 166 A CB 0.108 19.139 19.000 0.051 0.000 1.001 166 A HN 0.794 nan 8.150 nan 0.000 0.509 167 D N 1.184 121.583 120.400 -0.002 0.000 2.123 167 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 167 D C 1.633 177.923 176.300 -0.016 0.000 0.992 167 D CA 2.003 55.996 54.000 -0.012 0.000 0.833 167 D CB -0.198 40.579 40.800 -0.039 0.000 0.954 167 D HN 0.747 nan 8.370 nan 0.000 0.455 168 E N 0.460 120.617 120.200 -0.071 0.000 2.118 168 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 168 E C 2.274 178.855 176.600 -0.033 0.000 0.992 168 E CA 0.477 56.762 56.400 -0.192 0.000 0.804 168 E CB -0.198 29.270 29.700 -0.387 0.000 0.741 168 E HN 0.390 nan 8.360 nan 0.000 0.458 169 I N 0.141 120.750 120.570 0.065 0.000 2.286 169 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 169 I C 2.085 178.231 176.117 0.048 0.000 1.104 169 I CA 0.797 62.157 61.300 0.100 0.000 1.397 169 I CB -0.231 37.820 38.000 0.084 0.000 1.072 169 I HN 0.099 nan 8.210 nan 0.000 0.417 170 L N -0.336 120.906 121.223 0.031 0.000 2.017 170 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 170 L C 2.734 179.608 176.870 0.007 0.000 1.073 170 L CA 1.753 56.598 54.840 0.008 0.000 0.745 170 L CB -0.872 41.194 42.059 0.012 0.000 0.894 170 L HN 0.257 nan 8.230 nan 0.000 0.432 171 Y N 0.707 120.967 120.300 -0.067 0.000 2.145 171 Y HA -0.293 4.257 4.550 0.000 0.000 0.286 171 Y C 2.559 178.425 175.900 -0.057 0.000 1.145 171 Y CA 1.519 59.575 58.100 -0.074 0.000 1.148 171 Y CB -0.189 38.205 38.460 -0.111 0.000 0.981 171 Y HN 0.110 nan 8.280 nan 0.000 0.507 172 A N 0.768 123.567 122.820 -0.034 0.000 1.865 172 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 172 A C 2.434 179.948 177.584 -0.116 0.000 1.191 172 A CA 2.342 54.353 52.037 -0.043 0.000 0.623 172 A CB -1.693 17.388 19.000 0.135 0.000 0.826 172 A HN 0.653 nan 8.150 nan 0.000 0.444 173 A N -1.298 121.475 122.820 -0.079 0.000 1.873 173 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 173 A C 2.171 179.669 177.584 -0.143 0.000 1.193 173 A CA 2.409 54.391 52.037 -0.091 0.000 0.629 173 A CB -0.674 18.282 19.000 -0.073 0.000 0.826 173 A HN 0.528 nan 8.150 nan 0.000 0.447 174 Q N -0.808 118.881 119.800 -0.185 0.000 2.096 174 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 174 Q C 1.876 177.722 176.000 -0.257 0.000 0.982 174 Q CA 1.762 57.441 55.803 -0.207 0.000 0.850 174 Q CB -0.542 28.070 28.738 -0.210 0.000 0.901 174 Q HN 0.564 nan 8.270 nan 0.000 0.422 175 L N -0.784 120.208 121.223 -0.386 0.000 2.083 175 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 175 L C 1.606 178.360 176.870 -0.193 0.000 1.083 175 L CA 1.620 56.252 54.840 -0.346 0.000 0.752 175 L CB -0.375 41.413 42.059 -0.451 0.000 0.899 175 L HN 0.308 nan 8.230 nan 0.000 0.433 176 C N 0.508 119.709 119.300 -0.164 0.000 2.673 176 C HA 0.501 4.961 4.460 -0.000 0.000 0.274 176 C C 1.709 176.625 174.990 -0.123 0.000 1.276 176 C CA 0.087 59.027 59.018 -0.131 0.000 1.701 176 C CB -1.602 26.065 27.740 -0.123 0.000 1.836 176 C HN 0.848 nan 8.230 nan 0.000 0.596 177 G N 0.902 109.629 108.800 -0.121 0.000 2.143 177 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 177 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 177 G C 0.140 174.987 174.900 -0.089 0.000 0.991 177 G CA 0.282 45.322 45.100 -0.100 0.000 0.689 177 G HN 0.400 nan 8.290 nan 0.000 0.522 178 V N 0.660 120.518 119.914 -0.093 0.000 2.694 178 V HA 0.012 4.132 4.120 -0.000 0.000 0.306 178 V C 1.743 177.790 176.094 -0.078 0.000 1.054 178 V CA 1.492 63.746 62.300 -0.076 0.000 1.161 178 V CB 1.215 32.992 31.823 -0.076 0.000 0.916 178 V HN 0.619 nan 8.190 nan 0.000 0.490 179 Q N 2.015 121.779 119.800 -0.060 0.000 2.089 179 Q HA 0.065 4.405 4.340 -0.000 0.000 0.195 179 Q C -0.181 175.757 176.000 -0.104 0.000 0.963 179 Q CA 0.843 56.610 55.803 -0.060 0.000 0.834 179 Q CB 0.296 29.021 28.738 -0.021 0.000 0.906 179 Q HN 0.766 nan 8.270 nan 0.000 0.452 180 D N -0.092 120.217 120.400 -0.151 0.000 2.738 180 D HA 0.392 5.032 4.640 -0.000 0.000 0.237 180 D C -1.236 174.759 176.300 -0.509 0.000 1.123 180 D CA -0.379 53.402 54.000 -0.365 0.000 0.856 180 D CB 2.986 43.538 40.800 -0.414 0.000 1.552 180 D HN -0.189 nan 8.370 nan 0.000 0.480 181 V N 2.077 121.615 119.914 -0.627 0.000 2.487 181 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 181 V C -0.737 174.999 176.094 -0.597 0.000 1.028 181 V CA -0.699 61.334 62.300 -0.445 0.000 0.860 181 V CB 1.192 32.888 31.823 -0.211 0.000 0.991 181 V HN 0.379 nan 8.190 nan 0.000 0.427 182 F N 2.356 122.325 119.950 0.031 0.000 2.495 182 F HA 0.480 5.006 4.527 -0.000 0.000 0.327 182 F C 0.892 176.719 175.800 0.045 0.000 1.103 182 F CA -0.823 57.202 58.000 0.042 0.000 0.949 182 F CB 1.585 40.618 39.000 0.055 0.000 1.142 182 F HN 0.373 nan 8.300 nan 0.000 0.457 183 N N 2.900 121.742 118.700 0.236 0.000 2.895 183 N HA 0.218 4.958 4.740 -0.000 0.000 0.277 183 N C -1.101 174.513 175.510 0.173 0.000 1.185 183 N CA 0.199 53.342 53.050 0.155 0.000 1.106 183 N CB 1.107 39.662 38.487 0.113 0.000 1.422 183 N HN 0.394 nan 8.380 nan 0.000 0.521 184 V N -0.572 119.457 119.914 0.192 0.000 3.077 184 V HA 0.847 4.967 4.120 -0.000 0.000 0.299 184 V C -0.565 175.674 176.094 0.241 0.000 1.276 184 V CA -0.492 61.927 62.300 0.198 0.000 0.993 184 V CB 1.875 33.803 31.823 0.175 0.000 1.076 184 V HN 0.489 nan 8.190 nan 0.000 0.434 185 G N 2.146 111.107 108.800 0.268 0.000 2.870 185 G HA2 0.848 4.808 3.960 -0.000 0.000 0.299 185 G HA3 0.848 4.808 3.960 -0.000 0.000 0.299 185 G C 0.333 175.368 174.900 0.225 0.000 1.324 185 G CA -0.083 45.248 45.100 0.386 0.000 0.808 185 G HN 2.253 nan 8.290 nan 0.000 0.535 186 G N -0.901 107.995 108.800 0.161 0.000 2.641 186 G HA2 0.216 4.176 3.960 -0.000 0.000 0.254 186 G HA3 0.216 4.176 3.960 -0.000 0.000 0.254 186 G C 1.447 176.237 174.900 -0.184 0.000 1.315 186 G CA 1.275 46.312 45.100 -0.106 0.000 0.907 186 G HN 2.013 nan 8.290 nan 0.000 0.572 187 A N -0.660 122.048 122.820 -0.185 0.000 2.070 187 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 187 A C 2.409 179.894 177.584 -0.166 0.000 1.159 187 A CA 2.553 54.493 52.037 -0.162 0.000 0.656 187 A CB -0.429 18.509 19.000 -0.104 0.000 0.800 187 A HN 1.161 nan 8.150 nan 0.000 0.453 188 Q N -0.673 119.020 119.800 -0.178 0.000 2.245 188 Q HA 0.093 4.433 4.340 -0.000 0.000 0.201 188 Q C 1.968 177.952 176.000 -0.028 0.000 0.955 188 Q CA 1.299 57.036 55.803 -0.111 0.000 0.870 188 Q CB -0.728 27.939 28.738 -0.119 0.000 0.945 188 Q HN 0.508 nan 8.270 nan 0.000 0.461 189 A N 1.813 124.635 122.820 0.003 0.000 1.898 189 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 189 A C 2.187 179.770 177.584 -0.002 0.000 1.181 189 A CA 1.089 53.173 52.037 0.079 0.000 0.620 189 A CB -0.330 18.834 19.000 0.272 0.000 0.819 189 A HN 0.280 nan 8.150 nan 0.000 0.442 190 I N 0.110 120.615 120.570 -0.108 0.000 2.252 190 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 190 I C 2.877 178.845 176.117 -0.247 0.000 1.102 190 I CA 1.410 62.607 61.300 -0.172 0.000 1.385 190 I CB -1.658 36.204 38.000 -0.230 0.000 1.064 190 I HN 0.352 nan 8.210 nan 0.000 0.414 191 A N 0.858 123.533 122.820 -0.241 0.000 1.930 191 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 191 A C 2.563 179.974 177.584 -0.288 0.000 1.175 191 A CA 1.706 53.514 52.037 -0.383 0.000 0.627 191 A CB -0.645 18.328 19.000 -0.045 0.000 0.815 191 A HN 0.401 nan 8.150 nan 0.000 0.443 192 A N -0.313 122.444 122.820 -0.105 0.000 1.930 192 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 192 A C 2.134 179.659 177.584 -0.097 0.000 1.175 192 A CA 1.422 53.426 52.037 -0.056 0.000 0.627 192 A CB -0.492 18.477 19.000 -0.051 0.000 0.815 192 A HN 0.465 nan 8.150 nan 0.000 0.443 193 L N -1.134 120.021 121.223 -0.112 0.000 2.109 193 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 193 L C 3.020 179.814 176.870 -0.128 0.000 1.086 193 L CA 0.870 55.664 54.840 -0.077 0.000 0.760 193 L CB -0.405 41.643 42.059 -0.018 0.000 0.910 193 L HN 0.428 nan 8.230 nan 0.000 0.437 194 A N -0.256 122.387 122.820 -0.296 0.000 1.897 194 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 194 A C 1.762 179.207 177.584 -0.232 0.000 1.181 194 A CA 1.345 53.151 52.037 -0.385 0.000 0.620 194 A CB -0.357 18.210 19.000 -0.721 0.000 0.821 194 A HN 0.352 nan 8.150 nan 0.000 0.443 195 F N -0.898 119.044 119.950 -0.013 0.000 2.622 195 F HA 0.448 4.975 4.527 -0.000 0.000 0.288 195 F C 1.451 177.241 175.800 -0.016 0.000 1.120 195 F CA -0.115 57.877 58.000 -0.012 0.000 1.423 195 F CB -0.839 38.155 39.000 -0.009 0.000 1.127 195 F HN 0.392 nan 8.300 nan 0.000 0.588 196 G N 0.834 109.701 108.800 0.111 0.000 2.731 196 G HA2 0.126 4.086 3.960 -0.000 0.000 0.686 196 G HA3 0.126 4.086 3.960 -0.000 0.000 0.686 196 G C -0.212 174.716 174.900 0.046 0.000 1.395 196 G CA -0.383 44.741 45.100 0.040 0.000 0.870 196 G HN 0.569 nan 8.290 nan 0.000 0.591 197 T N -2.225 112.319 114.554 -0.017 0.000 2.626 197 T HA 0.717 5.067 4.350 -0.000 0.000 0.279 197 T C 0.976 175.661 174.700 -0.024 0.000 0.983 197 T CA 0.436 62.529 62.100 -0.011 0.000 1.059 197 T CB 1.393 70.244 68.868 -0.028 0.000 1.396 197 T HN 0.555 nan 8.240 nan 0.000 0.519 198 E N 0.341 120.532 120.200 -0.015 0.000 2.268 198 E HA 0.068 4.418 4.350 -0.000 0.000 0.195 198 E C 1.781 178.374 176.600 -0.011 0.000 0.995 198 E CA 1.209 57.607 56.400 -0.005 0.000 0.836 198 E CB -0.051 29.652 29.700 0.006 0.000 0.763 198 E HN 0.507 nan 8.360 nan 0.000 0.491 199 S N -0.708 114.960 115.700 -0.054 0.000 2.641 199 S HA 0.131 4.601 4.470 -0.000 0.000 0.239 199 S C 0.542 174.978 174.600 -0.273 0.000 1.081 199 S CA -0.292 57.869 58.200 -0.066 0.000 0.904 199 S CB 0.825 64.008 63.200 -0.028 0.000 0.803 199 S HN -0.063 nan 8.310 nan 0.000 0.510 200 V N 5.563 125.201 119.914 -0.459 0.000 2.432 200 V HA 0.347 4.467 4.120 -0.000 0.000 0.275 200 V C -2.353 173.587 176.094 -0.257 0.000 1.043 200 V CA -2.081 59.789 62.300 -0.717 0.000 0.925 200 V CB 0.955 32.373 31.823 -0.674 0.000 0.985 200 V HN 0.215 nan 8.190 nan 0.000 0.466 201 P HA 0.196 nan 4.420 nan 0.000 0.278 201 P C -0.757 176.546 177.300 0.005 0.000 1.238 201 P CA -0.659 62.439 63.100 -0.003 0.000 0.794 201 P CB 1.150 32.894 31.700 0.074 0.000 0.955 202 K N 2.231 122.645 120.400 0.022 0.000 2.368 202 K HA 0.277 4.597 4.320 -0.000 0.000 0.282 202 K C -0.013 176.610 176.600 0.038 0.000 1.035 202 K CA -0.469 55.835 56.287 0.029 0.000 0.973 202 K CB 0.314 32.844 32.500 0.050 0.000 0.957 202 K HN 0.353 nan 8.250 nan 0.000 0.474 203 V N 0.529 120.461 119.914 0.031 0.000 3.096 203 V HA 0.326 4.446 4.120 -0.000 0.000 0.319 203 V C 0.309 176.423 176.094 0.033 0.000 1.103 203 V CA -0.547 61.783 62.300 0.051 0.000 1.016 203 V CB 1.823 33.694 31.823 0.080 0.000 1.090 203 V HN 0.817 nan 8.190 nan 0.000 0.449 204 D N 0.250 120.678 120.400 0.047 0.000 2.271 204 D HA 0.126 4.766 4.640 -0.000 0.000 0.206 204 D C 0.434 176.727 176.300 -0.013 0.000 0.967 204 D CA 1.169 55.183 54.000 0.023 0.000 0.867 204 D CB 0.630 41.453 40.800 0.039 0.000 0.960 204 D HN 0.643 nan 8.370 nan 0.000 0.509 205 K N 0.402 120.806 120.400 0.007 0.000 2.525 205 K HA 0.420 4.740 4.320 -0.000 0.000 0.254 205 K C -1.631 174.912 176.600 -0.095 0.000 0.934 205 K CA -0.489 55.724 56.287 -0.124 0.000 0.802 205 K CB 2.023 34.413 32.500 -0.184 0.000 1.295 205 K HN -0.212 nan 8.250 nan 0.000 0.433 206 I N 4.541 124.950 120.570 -0.269 0.000 2.377 206 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 206 I C -0.903 175.027 176.117 -0.312 0.000 0.987 206 I CA -0.772 60.457 61.300 -0.118 0.000 1.185 206 I CB 0.858 38.801 38.000 -0.095 0.000 1.341 206 I HN 0.437 nan 8.210 nan 0.000 0.455 207 F N 2.821 122.778 119.950 0.012 0.000 2.579 207 F HA 0.845 5.372 4.527 -0.000 0.000 0.324 207 F C 0.590 176.449 175.800 0.097 0.000 1.058 207 F CA -0.976 57.037 58.000 0.022 0.000 0.944 207 F CB 2.043 41.064 39.000 0.036 0.000 1.245 207 F HN 0.566 nan 8.300 nan 0.000 0.477 208 G N 2.150 111.121 108.800 0.285 0.000 2.906 208 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 208 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 208 G C -3.361 171.658 174.900 0.198 0.000 1.170 208 G CA -1.388 43.864 45.100 0.254 0.000 0.775 208 G HN 0.454 nan 8.290 nan 0.000 0.630 209 P HA 0.764 nan 4.420 nan 0.000 0.280 209 P C 0.560 177.965 177.300 0.174 0.000 1.272 209 P CA 0.376 63.545 63.100 0.116 0.000 0.819 209 P CB 2.119 33.864 31.700 0.075 0.000 1.122 210 G N 0.271 109.127 108.800 0.094 0.000 2.554 210 G HA2 0.357 4.317 3.960 -0.000 0.000 0.306 210 G HA3 0.357 4.317 3.960 -0.000 0.000 0.306 210 G C -0.758 174.170 174.900 0.046 0.000 1.320 210 G CA -0.766 44.409 45.100 0.124 0.000 0.800 210 G HN 0.708 nan 8.290 nan 0.000 0.481 211 N N -0.367 118.370 118.700 0.061 0.000 2.240 211 N HA 0.385 5.125 4.740 -0.000 0.000 0.250 211 N C 1.738 177.240 175.510 -0.015 0.000 1.316 211 N CA 0.796 53.871 53.050 0.042 0.000 0.894 211 N CB 0.183 38.730 38.487 0.100 0.000 1.101 211 N HN 0.911 nan 8.380 nan 0.000 0.491 212 A N -0.892 121.890 122.820 -0.064 0.000 1.908 212 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 212 A C 1.962 179.383 177.584 -0.271 0.000 1.181 212 A CA 1.238 53.148 52.037 -0.212 0.000 0.627 212 A CB -1.195 17.595 19.000 -0.350 0.000 0.818 212 A HN 0.607 nan 8.150 nan 0.000 0.445 213 F N -0.267 119.613 119.950 -0.116 0.000 2.146 213 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 213 F C 2.417 178.113 175.800 -0.174 0.000 1.096 213 F CA 1.396 59.311 58.000 -0.142 0.000 1.275 213 F CB -0.676 38.220 39.000 -0.172 0.000 1.008 213 F HN 0.023 nan 8.300 nan 0.000 0.480 214 V N -0.516 119.383 119.914 -0.024 0.000 2.343 214 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 214 V C 2.263 178.258 176.094 -0.165 0.000 1.051 214 V CA 2.376 64.558 62.300 -0.197 0.000 1.036 214 V CB -1.093 30.534 31.823 -0.328 0.000 0.654 214 V HN 0.381 nan 8.190 nan 0.000 0.451 215 T N -0.339 114.145 114.554 -0.118 0.000 2.684 215 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 215 T C 1.935 176.573 174.700 -0.102 0.000 1.036 215 T CA 1.897 63.936 62.100 -0.102 0.000 1.148 215 T CB -0.228 68.590 68.868 -0.084 0.000 0.863 215 T HN 0.508 nan 8.240 nan 0.000 0.436 216 E N 1.363 121.497 120.200 -0.109 0.000 2.106 216 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 216 E C 2.145 178.698 176.600 -0.080 0.000 0.984 216 E CA 1.203 57.545 56.400 -0.096 0.000 0.806 216 E CB -0.498 29.129 29.700 -0.121 0.000 0.750 216 E HN 0.444 nan 8.360 nan 0.000 0.458 217 A N 0.644 123.412 122.820 -0.088 0.000 1.929 217 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 217 A C 2.028 179.540 177.584 -0.121 0.000 1.176 217 A CA 1.503 53.483 52.037 -0.095 0.000 0.628 217 A CB -0.326 18.601 19.000 -0.121 0.000 0.816 217 A HN 0.178 nan 8.150 nan 0.000 0.444 218 K N -0.660 119.658 120.400 -0.137 0.000 2.026 218 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 218 K C 2.385 178.914 176.600 -0.119 0.000 1.048 218 K CA 1.413 57.613 56.287 -0.144 0.000 0.929 218 K CB -0.198 32.215 32.500 -0.145 0.000 0.713 218 K HN 0.437 nan 8.250 nan 0.000 0.439 219 R N 1.502 121.943 120.500 -0.097 0.000 2.083 219 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 219 R C 2.218 178.481 176.300 -0.063 0.000 1.137 219 R CA 1.788 57.842 56.100 -0.078 0.000 0.951 219 R CB -0.044 30.219 30.300 -0.061 0.000 0.851 219 R HN 0.289 nan 8.270 nan 0.000 0.434 220 Q N -0.137 119.632 119.800 -0.053 0.000 2.020 220 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 220 Q C 2.166 178.155 176.000 -0.017 0.000 0.982 220 Q CA 2.044 57.833 55.803 -0.024 0.000 0.838 220 Q CB -0.124 28.611 28.738 -0.005 0.000 0.899 220 Q HN 0.420 nan 8.270 nan 0.000 0.423 221 V N -1.079 118.801 119.914 -0.056 0.000 2.759 221 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 221 V C 2.102 178.156 176.094 -0.067 0.000 1.080 221 V CA 1.757 64.013 62.300 -0.074 0.000 1.101 221 V CB -0.750 30.942 31.823 -0.218 0.000 0.698 221 V HN 0.344 nan 8.190 nan 0.000 0.477 222 S N -0.812 114.840 115.700 -0.081 0.000 2.470 222 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 222 S C 1.731 176.299 174.600 -0.054 0.000 1.006 222 S CA 0.502 58.652 58.200 -0.084 0.000 0.934 222 S CB -0.312 62.823 63.200 -0.109 0.000 0.778 222 S HN 0.590 nan 8.310 nan 0.000 0.517 223 Q N 0.860 120.640 119.800 -0.034 0.000 2.246 223 Q HA 0.354 4.694 4.340 -0.000 0.000 0.202 223 Q C -0.279 175.722 176.000 0.003 0.000 0.883 223 Q CA 0.164 55.956 55.803 -0.019 0.000 0.952 223 Q CB 0.349 29.076 28.738 -0.017 0.000 1.078 223 Q HN 0.598 nan 8.270 nan 0.000 0.493 224 R N 0.094 120.605 120.500 0.019 0.000 2.599 224 R HA 0.398 4.738 4.340 -0.000 0.000 0.295 224 R C 1.096 177.424 176.300 0.046 0.000 0.963 224 R CA -0.414 55.715 56.100 0.048 0.000 0.883 224 R CB 1.441 31.806 30.300 0.109 0.000 1.171 224 R HN 0.010 nan 8.270 nan 0.000 0.450 225 L N 1.232 122.476 121.223 0.036 0.000 2.131 225 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 225 L C 1.297 178.197 176.870 0.050 0.000 1.092 225 L CA 1.484 56.341 54.840 0.029 0.000 0.759 225 L CB -0.489 41.580 42.059 0.016 0.000 0.903 225 L HN 0.714 nan 8.230 nan 0.000 0.435 226 D N -0.384 120.064 120.400 0.079 0.000 2.333 226 D HA 0.000 4.640 4.640 -0.000 0.000 0.208 226 D C 1.513 177.967 176.300 0.257 0.000 0.984 226 D CA 0.597 54.669 54.000 0.121 0.000 0.873 226 D CB -0.216 40.615 40.800 0.052 0.000 0.935 226 D HN 0.155 nan 8.370 nan 0.000 0.521 227 G N -0.005 108.939 108.800 0.242 0.000 2.679 227 G HA2 0.526 4.486 3.960 -0.000 0.000 0.202 227 G HA3 0.526 4.486 3.960 -0.000 0.000 0.202 227 G C -0.227 174.681 174.900 0.013 0.000 1.566 227 G CA 0.011 45.197 45.100 0.144 0.000 1.074 227 G HN 0.517 nan 8.290 nan 0.000 0.564 228 A N -2.484 120.294 122.820 -0.070 0.000 2.593 228 A HA 0.818 5.138 4.320 -0.000 0.000 0.290 228 A C -0.088 177.431 177.584 -0.109 0.000 1.126 228 A CA 0.102 52.091 52.037 -0.079 0.000 0.695 228 A CB 0.908 19.850 19.000 -0.097 0.000 1.290 228 A HN 1.800 nan 8.150 nan 0.000 0.414 229 A N 0.129 122.875 122.820 -0.122 0.000 2.304 229 A HA 0.700 5.020 4.320 -0.000 0.000 0.271 229 A C 0.190 177.622 177.584 -0.253 0.000 1.091 229 A CA 0.081 52.018 52.037 -0.166 0.000 0.812 229 A CB -0.190 18.716 19.000 -0.158 0.000 1.056 229 A HN 1.703 nan 8.150 nan 0.000 0.489 230 I N -1.494 118.904 120.570 -0.287 0.000 2.846 230 I HA 0.573 4.743 4.170 -0.000 0.000 0.307 230 I C -0.467 175.373 176.117 -0.461 0.000 1.053 230 I CA -1.170 59.906 61.300 -0.373 0.000 1.050 230 I CB 1.920 39.766 38.000 -0.256 0.000 1.239 230 I HN 0.693 nan 8.210 nan 0.000 0.439 234 A N -0.318 122.513 122.820 0.017 0.000 2.263 234 A HA 1.001 5.321 4.320 -0.000 0.000 0.318 234 A C 0.173 177.839 177.584 0.136 0.000 1.111 234 A CA -0.042 52.026 52.037 0.052 0.000 0.901 234 A CB 1.070 20.068 19.000 -0.003 0.000 1.280 234 A HN 1.255 nan 8.150 nan 0.000 0.503 235 G N -1.415 107.388 108.800 0.005 0.000 2.338 235 G HA2 0.520 4.480 3.960 -0.000 0.000 0.295 235 G HA3 0.520 4.480 3.960 -0.000 0.000 0.295 235 G C -3.496 171.271 174.900 -0.221 0.000 1.461 235 G CA -0.701 44.273 45.100 -0.211 0.000 0.817 235 G HN 0.585 nan 8.290 nan 0.000 0.556 236 P HA 0.394 nan 4.420 nan 0.000 0.271 236 P C 0.176 177.432 177.300 -0.073 0.000 1.218 236 P CA -0.088 62.906 63.100 -0.178 0.000 0.780 236 P CB 0.978 32.560 31.700 -0.196 0.000 0.901 237 S N 1.387 117.076 115.700 -0.018 0.000 2.584 237 S HA 0.196 4.666 4.470 -0.000 0.000 0.270 237 S C 0.035 174.702 174.600 0.112 0.000 1.346 237 S CA -0.302 57.931 58.200 0.054 0.000 1.018 237 S CB 0.114 63.343 63.200 0.048 0.000 0.899 237 S HN 0.423 nan 8.310 nan 0.000 0.542 238 E N -0.175 120.146 120.200 0.200 0.000 2.356 238 E HA 0.669 5.019 4.350 -0.000 0.000 0.275 238 E C -1.676 175.107 176.600 0.305 0.000 0.904 238 E CA -0.762 55.780 56.400 0.236 0.000 0.757 238 E CB 2.276 32.146 29.700 0.282 0.000 1.232 238 E HN 0.261 nan 8.360 nan 0.000 0.442 239 V N 3.078 123.105 119.914 0.188 0.000 2.733 239 V HA 0.575 4.695 4.120 -0.000 0.000 0.306 239 V C -1.781 174.346 176.094 0.054 0.000 1.084 239 V CA -0.617 61.755 62.300 0.120 0.000 0.905 239 V CB 1.776 33.588 31.823 -0.018 0.000 1.010 239 V HN 0.640 nan 8.190 nan 0.000 0.424 240 L N 6.665 127.919 121.223 0.052 0.000 2.406 240 L HA 0.770 5.110 4.340 -0.000 0.000 0.272 240 L C -1.334 175.527 176.870 -0.014 0.000 0.980 240 L CA -0.411 54.416 54.840 -0.021 0.000 0.831 240 L CB 2.024 44.067 42.059 -0.027 0.000 1.253 240 L HN 0.521 nan 8.230 nan 0.000 0.406 241 V N 5.987 125.872 119.914 -0.047 0.000 2.435 241 V HA 0.465 4.585 4.120 -0.000 0.000 0.290 241 V C 0.049 176.113 176.094 -0.049 0.000 1.030 241 V CA -0.397 61.879 62.300 -0.041 0.000 0.881 241 V CB 1.823 33.614 31.823 -0.052 0.000 0.983 241 V HN 0.561 nan 8.190 nan 0.000 0.445 242 I N 4.129 124.679 120.570 -0.034 0.000 2.330 242 I HA 0.721 4.891 4.170 -0.000 0.000 0.289 242 I C 0.192 176.288 176.117 -0.035 0.000 1.001 242 I CA -0.284 60.990 61.300 -0.043 0.000 1.193 242 I CB 1.579 39.560 38.000 -0.033 0.000 1.345 242 I HN 0.719 nan 8.210 nan 0.000 0.461 243 A N 5.329 128.123 122.820 -0.043 0.000 2.371 243 A HA 0.696 5.016 4.320 -0.000 0.000 0.311 243 A C -0.971 176.591 177.584 -0.038 0.000 1.068 243 A CA -0.690 51.324 52.037 -0.039 0.000 0.744 243 A CB 1.298 20.273 19.000 -0.043 0.000 1.239 243 A HN 0.705 nan 8.150 nan 0.000 0.435 244 D N 0.763 121.143 120.400 -0.033 0.000 2.564 244 D HA 0.361 5.001 4.640 -0.000 0.000 0.273 244 D C 0.902 177.183 176.300 -0.032 0.000 1.192 244 D CA -0.021 53.962 54.000 -0.029 0.000 1.080 244 D CB 0.082 40.870 40.800 -0.020 0.000 1.160 244 D HN 0.149 nan 8.370 nan 0.000 0.607 245 S N -1.535 114.149 115.700 -0.026 0.000 2.469 245 S HA 0.038 4.508 4.470 -0.000 0.000 0.238 245 S C 1.760 176.340 174.600 -0.034 0.000 0.998 245 S CA 0.978 59.161 58.200 -0.028 0.000 0.957 245 S CB -0.535 62.653 63.200 -0.020 0.000 0.764 245 S HN 0.709 nan 8.310 nan 0.000 0.514 246 G N 0.574 109.356 108.800 -0.030 0.000 2.880 246 G HA2 0.450 4.410 3.960 -0.000 0.000 0.209 246 G HA3 0.450 4.410 3.960 -0.000 0.000 0.209 246 G C 0.401 175.268 174.900 -0.055 0.000 1.157 246 G CA 0.309 45.390 45.100 -0.032 0.000 0.779 246 G HN 0.579 nan 8.290 nan 0.000 0.539 247 A N -0.065 122.716 122.820 -0.065 0.000 2.327 247 A HA 0.569 4.889 4.320 -0.000 0.000 0.255 247 A C 0.283 177.773 177.584 -0.156 0.000 1.099 247 A CA 0.186 52.167 52.037 -0.093 0.000 0.801 247 A CB 0.291 19.249 19.000 -0.069 0.000 1.062 247 A HN 0.095 nan 8.150 nan 0.000 0.496 248 T N 2.970 117.374 114.554 -0.251 0.000 2.770 248 T HA 0.389 4.739 4.350 -0.000 0.000 0.297 248 T C -1.921 172.603 174.700 -0.293 0.000 0.997 248 T CA -0.829 61.018 62.100 -0.422 0.000 0.949 248 T CB 1.270 69.501 68.868 -1.061 0.000 0.941 248 T HN 0.428 nan 8.240 nan 0.000 0.457 249 P HA -0.213 nan 4.420 nan 0.000 0.219 249 P C 1.286 178.537 177.300 -0.081 0.000 1.161 249 P CA 1.240 64.273 63.100 -0.112 0.000 0.909 249 P CB 0.211 31.854 31.700 -0.095 0.000 0.793 250 D N -2.217 118.119 120.400 -0.105 0.000 2.178 250 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 250 D C 1.764 178.158 176.300 0.156 0.000 0.980 250 D CA 0.940 54.941 54.000 0.001 0.000 0.842 250 D CB -0.490 40.315 40.800 0.008 0.000 0.948 250 D HN 0.115 nan 8.370 nan 0.000 0.472 251 F N 0.641 120.535 119.950 -0.093 0.000 2.163 251 F HA -0.083 4.444 4.527 0.000 0.000 0.297 251 F C 2.515 178.244 175.800 -0.117 0.000 1.094 251 F CA 0.095 58.021 58.000 -0.123 0.000 1.290 251 F CB -1.137 37.747 39.000 -0.192 0.000 1.017 251 F HN -0.163 nan 8.300 nan 0.000 0.483 252 V N 0.313 120.280 119.914 0.088 0.000 2.295 252 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 252 V C 2.695 178.781 176.094 -0.013 0.000 1.049 252 V CA 1.778 64.081 62.300 0.006 0.000 1.024 252 V CB -1.480 30.330 31.823 -0.023 0.000 0.648 252 V HN 0.304 nan 8.190 nan 0.000 0.447 253 A N 0.822 123.640 122.820 -0.004 0.000 1.902 253 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 253 A C 2.560 180.131 177.584 -0.021 0.000 1.181 253 A CA 2.424 54.451 52.037 -0.015 0.000 0.623 253 A CB -0.871 18.123 19.000 -0.010 0.000 0.818 253 A HN 0.701 nan 8.150 nan 0.000 0.443 254 S N -0.318 115.380 115.700 -0.003 0.000 2.419 254 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 254 S C 1.357 175.914 174.600 -0.073 0.000 1.016 254 S CA 1.455 59.639 58.200 -0.026 0.000 0.974 254 S CB -0.402 62.795 63.200 -0.004 0.000 0.786 254 S HN 0.547 nan 8.310 nan 0.000 0.492 255 D N 1.537 121.887 120.400 -0.084 0.000 2.183 255 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 255 D C 2.031 178.252 176.300 -0.133 0.000 0.962 255 D CA 0.785 54.701 54.000 -0.139 0.000 0.849 255 D CB -0.197 40.509 40.800 -0.156 0.000 0.978 255 D HN 0.391 nan 8.370 nan 0.000 0.488 256 L N 0.567 121.734 121.223 -0.092 0.000 2.046 256 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 256 L C 2.589 179.411 176.870 -0.079 0.000 1.077 256 L CA 0.715 55.508 54.840 -0.078 0.000 0.747 256 L CB -0.366 41.660 42.059 -0.056 0.000 0.896 256 L HN 0.003 nan 8.230 nan 0.000 0.432 257 L N -1.094 120.084 121.223 -0.075 0.000 2.141 257 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 257 L C 2.717 179.518 176.870 -0.115 0.000 1.094 257 L CA 0.721 55.515 54.840 -0.076 0.000 0.763 257 L CB -0.376 41.648 42.059 -0.057 0.000 0.908 257 L HN 0.191 nan 8.230 nan 0.000 0.437 258 S N -0.492 115.122 115.700 -0.144 0.000 2.359 258 S HA -0.271 4.199 4.470 -0.000 0.000 0.224 258 S C 1.877 176.304 174.600 -0.287 0.000 1.035 258 S CA 1.542 59.616 58.200 -0.211 0.000 1.018 258 S CB -0.171 62.904 63.200 -0.207 0.000 0.876 258 S HN 0.369 nan 8.310 nan 0.000 0.448 259 Q N 1.583 121.266 119.800 -0.196 0.000 2.046 259 Q HA 0.112 4.452 4.340 -0.000 0.000 0.200 259 Q C 2.062 178.032 176.000 -0.049 0.000 0.975 259 Q CA 1.763 57.505 55.803 -0.102 0.000 0.836 259 Q CB -0.747 27.945 28.738 -0.077 0.000 0.896 259 Q HN 0.436 nan 8.270 nan 0.000 0.428 260 A N 1.058 123.840 122.820 -0.064 0.000 1.940 260 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 260 A C 1.883 179.443 177.584 -0.040 0.000 1.176 260 A CA 1.809 53.827 52.037 -0.033 0.000 0.631 260 A CB -0.935 18.044 19.000 -0.035 0.000 0.814 260 A HN 0.704 nan 8.150 nan 0.000 0.446 261 E N -1.281 118.858 120.200 -0.102 0.000 2.472 261 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 261 E C 1.493 178.042 176.600 -0.085 0.000 1.046 261 E CA 0.904 57.243 56.400 -0.101 0.000 0.871 261 E CB -0.370 29.250 29.700 -0.135 0.000 0.806 261 E HN 0.706 nan 8.360 nan 0.000 0.533 262 H N 0.954 120.002 119.070 -0.036 0.000 2.256 262 H HA 0.162 4.718 4.556 -0.000 0.000 0.301 262 H C 1.106 176.424 175.328 -0.017 0.000 1.062 262 H CA 1.638 57.666 56.048 -0.034 0.000 1.283 262 H CB -0.254 29.478 29.762 -0.050 0.000 1.379 262 H HN 0.314 nan 8.280 nan 0.000 0.493 263 G N -1.103 107.776 108.800 0.133 0.000 2.694 263 G HA2 0.260 4.220 3.960 -0.000 0.000 0.290 263 G HA3 0.260 4.220 3.960 -0.000 0.000 0.290 263 G C -2.114 172.809 174.900 0.039 0.000 1.386 263 G CA -0.902 44.237 45.100 0.065 0.000 0.872 263 G HN -0.033 nan 8.290 nan 0.000 0.475 264 P HA 0.011 nan 4.420 nan 0.000 0.230 264 P C 0.117 177.423 177.300 0.010 0.000 1.158 264 P CA 0.892 64.001 63.100 0.015 0.000 0.769 264 P CB 0.522 32.231 31.700 0.014 0.000 0.807 265 D N -0.749 119.653 120.400 0.003 0.000 2.363 265 D HA 0.078 4.718 4.640 -0.000 0.000 0.214 265 D C 0.214 176.514 176.300 -0.001 0.000 1.093 265 D CA 0.168 54.162 54.000 -0.009 0.000 0.837 265 D CB 0.181 40.958 40.800 -0.038 0.000 0.948 265 D HN 0.058 nan 8.370 nan 0.000 0.507 266 S N 1.758 117.469 115.700 0.019 0.000 2.537 266 S HA 0.040 4.510 4.470 -0.000 0.000 0.286 266 S C 0.476 175.103 174.600 0.045 0.000 1.299 266 S CA -0.172 58.051 58.200 0.039 0.000 1.067 266 S CB 0.922 64.156 63.200 0.057 0.000 0.864 266 S HN 0.078 nan 8.310 nan 0.000 0.494 267 Q N 2.343 122.186 119.800 0.072 0.000 2.296 267 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 267 Q C -0.743 175.297 176.000 0.067 0.000 0.942 267 Q CA -0.266 55.593 55.803 0.092 0.000 0.939 267 Q CB 1.335 30.186 28.738 0.189 0.000 1.198 267 Q HN 0.390 nan 8.270 nan 0.000 0.429 268 V N 5.131 125.058 119.914 0.021 0.000 2.444 268 V HA 0.563 4.683 4.120 -0.000 0.000 0.294 268 V C -0.123 175.941 176.094 -0.050 0.000 1.022 268 V CA -0.540 61.753 62.300 -0.012 0.000 0.850 268 V CB 1.566 33.379 31.823 -0.016 0.000 0.992 268 V HN 0.616 nan 8.190 nan 0.000 0.426 269 I N 5.601 126.121 120.570 -0.083 0.000 2.569 269 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 269 I C -1.226 174.824 176.117 -0.112 0.000 1.088 269 I CA -0.767 60.455 61.300 -0.130 0.000 1.047 269 I CB 2.306 40.146 38.000 -0.266 0.000 1.237 269 I HN 0.440 nan 8.210 nan 0.000 0.421 270 L N 7.536 128.701 121.223 -0.097 0.000 2.341 270 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 270 L C -1.620 175.189 176.870 -0.102 0.000 1.005 270 L CA -0.191 54.598 54.840 -0.085 0.000 0.818 270 L CB 1.529 43.551 42.059 -0.060 0.000 1.259 270 L HN 0.456 nan 8.230 nan 0.000 0.418 271 L N 4.732 125.890 121.223 -0.109 0.000 2.356 271 L HA 0.722 5.062 4.340 -0.000 0.000 0.277 271 L C -0.423 176.389 176.870 -0.096 0.000 0.996 271 L CA -0.391 54.369 54.840 -0.133 0.000 0.822 271 L CB 2.007 43.959 42.059 -0.179 0.000 1.256 271 L HN 0.721 nan 8.230 nan 0.000 0.413 272 T N 2.386 116.891 114.554 -0.082 0.000 2.932 272 T HA 0.446 4.796 4.350 -0.000 0.000 0.318 272 T C -2.560 172.112 174.700 -0.046 0.000 1.265 272 T CA -1.054 61.011 62.100 -0.058 0.000 1.036 272 T CB 2.324 71.165 68.868 -0.045 0.000 1.209 272 T HN 0.222 nan 8.240 nan 0.000 0.484 273 P HA 0.353 nan 4.420 nan 0.000 0.249 273 P C -0.593 176.700 177.300 -0.012 0.000 1.229 273 P CA 0.023 63.109 63.100 -0.022 0.000 0.788 273 P CB 0.288 31.976 31.700 -0.021 0.000 1.072 274 A N -0.080 122.731 122.820 -0.016 0.000 2.310 274 A HA 0.644 4.964 4.320 -0.000 0.000 0.304 274 A C 1.386 178.964 177.584 -0.010 0.000 1.231 274 A CA -0.232 51.798 52.037 -0.012 0.000 0.799 274 A CB 0.914 19.904 19.000 -0.017 0.000 1.162 274 A HN 0.043 nan 8.150 nan 0.000 0.486 275 A N 2.408 125.226 122.820 -0.003 0.000 1.940 275 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 275 A C 1.171 178.751 177.584 -0.008 0.000 1.176 275 A CA 1.878 53.914 52.037 -0.001 0.000 0.631 275 A CB -0.785 18.218 19.000 0.004 0.000 0.814 275 A HN 0.913 nan 8.150 nan 0.000 0.446 279 R N 0.585 121.075 120.500 -0.016 0.000 2.081 279 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 279 R C 2.159 178.447 176.300 -0.020 0.000 1.131 279 R CA 1.822 57.913 56.100 -0.015 0.000 0.960 279 R CB -0.194 30.099 30.300 -0.012 0.000 0.856 279 R HN 0.537 nan 8.270 nan 0.000 0.436 280 R N -0.359 120.126 120.500 -0.025 0.000 2.092 280 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 280 R C 2.272 178.552 176.300 -0.033 0.000 1.119 280 R CA 1.285 57.366 56.100 -0.031 0.000 0.970 280 R CB -0.195 30.081 30.300 -0.040 0.000 0.864 280 R HN 0.084 nan 8.270 nan 0.000 0.440 281 V N 0.916 120.810 119.914 -0.034 0.000 2.343 281 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 281 V C 2.382 178.461 176.094 -0.026 0.000 1.051 281 V CA 1.957 64.237 62.300 -0.033 0.000 1.036 281 V CB -0.647 31.155 31.823 -0.035 0.000 0.654 281 V HN 0.419 nan 8.190 nan 0.000 0.451 282 A N -0.388 122.419 122.820 -0.022 0.000 1.940 282 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 282 A C 2.156 179.730 177.584 -0.016 0.000 1.176 282 A CA 2.074 54.101 52.037 -0.017 0.000 0.631 282 A CB -0.468 18.524 19.000 -0.013 0.000 0.814 282 A HN 0.628 nan 8.150 nan 0.000 0.446 283 E N -0.437 119.753 120.200 -0.017 0.000 2.072 283 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 283 E C 2.284 178.874 176.600 -0.016 0.000 0.985 283 E CA 0.932 57.323 56.400 -0.016 0.000 0.801 283 E CB -0.260 29.430 29.700 -0.017 0.000 0.750 283 E HN 0.620 nan 8.360 nan 0.000 0.452 284 A N 0.663 123.471 122.820 -0.020 0.000 1.930 284 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 284 A C 2.429 180.005 177.584 -0.013 0.000 1.175 284 A CA 0.935 52.962 52.037 -0.017 0.000 0.627 284 A CB -0.482 18.504 19.000 -0.023 0.000 0.815 284 A HN 0.117 nan 8.150 nan 0.000 0.443 285 V N -0.123 119.782 119.914 -0.016 0.000 2.343 285 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 285 V C 2.576 178.662 176.094 -0.013 0.000 1.051 285 V CA 2.412 64.703 62.300 -0.016 0.000 1.036 285 V CB -0.645 31.167 31.823 -0.019 0.000 0.654 285 V HN 0.679 nan 8.190 nan 0.000 0.451 286 E N 0.491 120.684 120.200 -0.012 0.000 2.038 286 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 286 E C 2.387 178.983 176.600 -0.008 0.000 1.000 286 E CA 1.633 58.028 56.400 -0.009 0.000 0.803 286 E CB -0.232 29.463 29.700 -0.008 0.000 0.750 286 E HN 0.461 nan 8.360 nan 0.000 0.448 287 R N -0.150 120.345 120.500 -0.007 0.000 2.083 287 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 287 R C 2.639 178.937 176.300 -0.004 0.000 1.137 287 R CA 1.862 57.959 56.100 -0.005 0.000 0.951 287 R CB -0.385 29.912 30.300 -0.005 0.000 0.851 287 R HN 0.352 nan 8.270 nan 0.000 0.434 288 Q N 0.332 120.129 119.800 -0.004 0.000 2.119 288 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 288 Q C 2.161 178.156 176.000 -0.008 0.000 0.972 288 Q CA 0.933 56.734 55.803 -0.004 0.000 0.847 288 Q CB -0.134 28.602 28.738 -0.004 0.000 0.903 288 Q HN 0.153 nan 8.270 nan 0.000 0.433 289 L N 0.868 122.085 121.223 -0.010 0.000 2.012 289 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 289 L C 2.125 178.991 176.870 -0.007 0.000 1.073 289 L CA 2.146 56.980 54.840 -0.011 0.000 0.748 289 L CB -0.859 41.194 42.059 -0.011 0.000 0.891 289 L HN 0.141 nan 8.230 nan 0.000 0.431 290 A N -1.298 121.519 122.820 -0.005 0.000 2.131 290 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 290 A C 2.001 179.584 177.584 -0.002 0.000 1.158 290 A CA 1.761 53.796 52.037 -0.003 0.000 0.665 290 A CB -0.528 18.471 19.000 -0.002 0.000 0.795 290 A HN 0.691 nan 8.150 nan 0.000 0.460 291 E N -0.871 119.328 120.200 -0.003 0.000 2.476 291 E HA 0.201 4.551 4.350 -0.000 0.000 0.199 291 E C -0.367 176.230 176.600 -0.004 0.000 1.021 291 E CA -0.319 56.080 56.400 -0.002 0.000 0.907 291 E CB 0.146 29.846 29.700 -0.000 0.000 0.974 291 E HN 0.524 nan 8.360 nan 0.000 0.489 292 L N 3.865 125.084 121.223 -0.006 0.000 2.360 292 L HA 0.092 4.432 4.340 -0.000 0.000 0.276 292 L C -1.025 175.842 176.870 -0.005 0.000 1.121 292 L CA -1.283 53.552 54.840 -0.009 0.000 0.845 292 L CB 0.462 42.512 42.059 -0.015 0.000 1.143 292 L HN -0.053 nan 8.230 nan 0.000 0.452 293 P HA -0.140 nan 4.420 nan 0.000 0.212 293 P C 0.049 177.350 177.300 0.003 0.000 1.180 293 P CA 1.083 64.184 63.100 0.001 0.000 0.906 293 P CB 0.106 31.808 31.700 0.003 0.000 0.782 294 R N 0.711 121.212 120.500 0.002 0.000 3.266 294 R HA 0.520 4.860 4.340 -0.000 0.000 0.224 294 R C 0.325 176.625 176.300 -0.001 0.000 1.525 294 R CA -0.189 55.914 56.100 0.005 0.000 1.364 294 R CB -0.722 29.584 30.300 0.010 0.000 1.276 294 R HN 0.102 nan 8.270 nan 0.000 0.660 295 A N 1.273 124.093 122.820 -0.001 0.000 2.606 295 A HA 0.223 4.543 4.320 -0.000 0.000 0.290 295 A C 0.705 178.289 177.584 -0.001 0.000 1.174 295 A CA -0.448 51.586 52.037 -0.005 0.000 0.958 295 A CB 0.316 19.311 19.000 -0.008 0.000 1.194 295 A HN 0.409 nan 8.150 nan 0.000 0.526 296 E N -0.146 120.056 120.200 0.004 0.000 2.051 296 E HA -0.094 4.256 4.350 -0.000 0.000 0.189 296 E C 2.171 178.776 176.600 0.007 0.000 0.979 296 E CA 1.841 58.245 56.400 0.007 0.000 0.803 296 E CB -0.343 29.364 29.700 0.011 0.000 0.761 296 E HN 0.646 nan 8.360 nan 0.000 0.451 297 T N -0.520 114.039 114.554 0.009 0.000 2.821 297 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 297 T C 2.130 176.833 174.700 0.005 0.000 1.046 297 T CA 0.991 63.097 62.100 0.011 0.000 1.139 297 T CB -0.423 68.456 68.868 0.018 0.000 0.871 297 T HN 0.158 nan 8.240 nan 0.000 0.454 298 A N 2.067 124.884 122.820 -0.004 0.000 1.908 298 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 298 A C 2.513 180.092 177.584 -0.008 0.000 1.181 298 A CA 1.834 53.863 52.037 -0.013 0.000 0.627 298 A CB -0.824 18.162 19.000 -0.024 0.000 0.818 298 A HN 0.519 nan 8.150 nan 0.000 0.445 299 R N -1.058 119.439 120.500 -0.005 0.000 2.081 299 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 299 R C 2.408 178.708 176.300 0.001 0.000 1.131 299 R CA 1.823 57.922 56.100 -0.003 0.000 0.960 299 R CB -0.236 30.063 30.300 -0.001 0.000 0.856 299 R HN 0.539 nan 8.270 nan 0.000 0.436 300 Q N 0.346 120.149 119.800 0.004 0.000 2.124 300 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 300 Q C 1.732 177.737 176.000 0.007 0.000 0.977 300 Q CA 2.136 57.943 55.803 0.007 0.000 0.850 300 Q CB -0.285 28.458 28.738 0.009 0.000 0.901 300 Q HN 0.424 nan 8.270 nan 0.000 0.429 301 A N 0.033 122.857 122.820 0.007 0.000 1.930 301 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 301 A C 2.046 179.634 177.584 0.006 0.000 1.175 301 A CA 1.253 53.295 52.037 0.009 0.000 0.627 301 A CB -0.717 18.288 19.000 0.009 0.000 0.815 301 A HN 0.449 nan 8.150 nan 0.000 0.443 302 L N 0.115 121.338 121.223 0.000 0.000 2.353 302 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 302 L C 1.814 178.685 176.870 0.002 0.000 1.133 302 L CA 0.515 55.354 54.840 -0.002 0.000 0.798 302 L CB -0.617 41.438 42.059 -0.007 0.000 0.922 302 L HN 0.374 nan 8.230 nan 0.000 0.445 303 N N 0.477 119.180 118.700 0.005 0.000 2.381 303 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 303 N C 1.563 177.079 175.510 0.011 0.000 1.025 303 N CA 1.323 54.377 53.050 0.007 0.000 0.888 303 N CB 0.105 38.597 38.487 0.008 0.000 0.965 303 N HN 0.324 nan 8.380 nan 0.000 0.438 304 A N 0.134 122.962 122.820 0.014 0.000 2.348 304 A HA 0.147 4.467 4.320 -0.000 0.000 0.224 304 A C 0.963 178.558 177.584 0.018 0.000 1.227 304 A CA -0.273 51.777 52.037 0.021 0.000 0.885 304 A CB -0.089 18.927 19.000 0.028 0.000 0.933 304 A HN 0.257 nan 8.150 nan 0.000 0.506 305 S N -0.131 115.574 115.700 0.008 0.000 2.589 305 S HA 0.577 5.047 4.470 -0.000 0.000 0.265 305 S C -0.078 174.519 174.600 -0.004 0.000 1.342 305 S CA -0.254 57.944 58.200 -0.003 0.000 1.005 305 S CB 0.758 63.952 63.200 -0.010 0.000 0.909 305 S HN 0.398 nan 8.310 nan 0.000 0.555 306 R N 0.357 120.846 120.500 -0.019 0.000 2.514 306 R HA 0.469 4.809 4.340 -0.000 0.000 0.296 306 R C -1.365 174.921 176.300 -0.023 0.000 1.012 306 R CA -0.299 55.795 56.100 -0.010 0.000 0.897 306 R CB 1.578 31.875 30.300 -0.006 0.000 1.184 306 R HN 0.628 nan 8.270 nan 0.000 0.440 307 L N 5.530 126.750 121.223 -0.006 0.000 2.301 307 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 307 L C -0.539 176.336 176.870 0.008 0.000 1.022 307 L CA -0.422 54.411 54.840 -0.012 0.000 0.854 307 L CB 0.778 42.832 42.059 -0.009 0.000 1.226 307 L HN 0.492 nan 8.230 nan 0.000 0.429 308 I N 3.178 123.745 120.570 -0.005 0.000 2.377 308 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 308 I C -0.206 175.914 176.117 0.003 0.000 0.987 308 I CA -0.845 60.474 61.300 0.031 0.000 1.185 308 I CB 2.429 40.440 38.000 0.019 0.000 1.341 308 I HN 0.162 nan 8.210 nan 0.000 0.455 309 V N 5.138 125.085 119.914 0.054 0.000 2.370 309 V HA 0.325 4.445 4.120 -0.000 0.000 0.279 309 V C 0.519 176.652 176.094 0.065 0.000 1.029 309 V CA -0.429 61.892 62.300 0.036 0.000 0.870 309 V CB 1.392 33.240 31.823 0.042 0.000 0.984 309 V HN 0.905 nan 8.190 nan 0.000 0.451 310 T N 1.677 116.228 114.554 -0.005 0.000 2.884 310 T HA 0.409 4.759 4.350 -0.000 0.000 0.277 310 T C 0.967 175.681 174.700 0.024 0.000 0.976 310 T CA -0.450 61.640 62.100 -0.016 0.000 0.956 310 T CB 1.493 70.279 68.868 -0.136 0.000 1.113 310 T HN 0.693 nan 8.240 nan 0.000 0.554 311 K N -0.052 120.371 120.400 0.038 0.000 2.186 311 K HA 0.152 4.472 4.320 -0.000 0.000 0.202 311 K C -0.211 176.396 176.600 0.011 0.000 1.052 311 K CA 0.612 56.921 56.287 0.037 0.000 0.965 311 K CB -0.201 32.332 32.500 0.055 0.000 0.746 311 K HN 0.795 nan 8.250 nan 0.000 0.457 312 D N -1.287 119.110 120.400 -0.005 0.000 2.692 312 D HA 0.074 4.714 4.640 -0.000 0.000 0.303 312 D C 0.507 176.788 176.300 -0.030 0.000 1.278 312 D CA -0.825 53.168 54.000 -0.013 0.000 0.852 312 D CB 0.398 41.196 40.800 -0.003 0.000 1.375 312 D HN -0.098 nan 8.370 nan 0.000 0.453 313 L N -0.055 121.152 121.223 -0.026 0.000 2.083 313 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 313 L C 2.371 179.220 176.870 -0.036 0.000 1.083 313 L CA 1.824 56.644 54.840 -0.032 0.000 0.752 313 L CB -0.484 41.562 42.059 -0.020 0.000 0.899 313 L HN 0.689 nan 8.230 nan 0.000 0.433 314 A N -0.812 121.994 122.820 -0.024 0.000 1.908 314 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 314 A C 2.170 179.731 177.584 -0.037 0.000 1.181 314 A CA 1.953 53.977 52.037 -0.021 0.000 0.627 314 A CB -0.585 18.410 19.000 -0.008 0.000 0.818 314 A HN 0.537 nan 8.150 nan 0.000 0.445 315 Q N -1.022 118.749 119.800 -0.048 0.000 2.224 315 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 315 Q C 2.006 177.910 176.000 -0.160 0.000 0.970 315 Q CA 1.572 57.325 55.803 -0.084 0.000 0.865 315 Q CB -0.377 28.317 28.738 -0.073 0.000 0.922 315 Q HN 0.744 nan 8.270 nan 0.000 0.445 316 C N -0.971 118.247 119.300 -0.138 0.000 2.446 316 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 316 C C 2.517 177.435 174.990 -0.121 0.000 1.275 316 C CA 0.433 59.355 59.018 -0.160 0.000 1.727 316 C CB -0.774 26.899 27.740 -0.112 0.000 2.010 316 C HN 0.385 nan 8.230 nan 0.000 0.486 317 V N 1.040 120.910 119.914 -0.073 0.000 2.407 317 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 317 V C 2.323 178.393 176.094 -0.041 0.000 1.055 317 V CA 1.975 64.250 62.300 -0.043 0.000 1.049 317 V CB -0.778 31.032 31.823 -0.022 0.000 0.662 317 V HN 0.610 nan 8.190 nan 0.000 0.455 318 E N 0.118 120.287 120.200 -0.051 0.000 2.051 318 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 318 E C 2.160 178.734 176.600 -0.044 0.000 0.991 318 E CA 1.671 58.052 56.400 -0.032 0.000 0.799 318 E CB -0.243 29.445 29.700 -0.020 0.000 0.748 318 E HN 0.561 nan 8.360 nan 0.000 0.449 319 I N 0.627 121.119 120.570 -0.130 0.000 2.226 319 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 319 I C 2.653 178.726 176.117 -0.074 0.000 1.100 319 I CA 0.747 61.940 61.300 -0.178 0.000 1.374 319 I CB -0.273 37.439 38.000 -0.480 0.000 1.057 319 I HN 0.061 nan 8.210 nan 0.000 0.413 320 S N 1.142 116.801 115.700 -0.067 0.000 2.356 320 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 320 S C 1.928 176.571 174.600 0.071 0.000 1.032 320 S CA 1.731 59.938 58.200 0.011 0.000 1.005 320 S CB -0.288 62.910 63.200 -0.004 0.000 0.867 320 S HN 0.404 nan 8.310 nan 0.000 0.449 321 N N 1.154 119.877 118.700 0.037 0.000 2.223 321 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 321 N C 1.822 177.364 175.510 0.053 0.000 1.016 321 N CA 1.381 54.456 53.050 0.042 0.000 0.863 321 N CB -0.674 37.828 38.487 0.025 0.000 0.983 321 N HN 0.608 nan 8.380 nan 0.000 0.429 322 Q N 0.132 119.970 119.800 0.064 0.000 2.046 322 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 322 Q C 2.003 178.065 176.000 0.104 0.000 0.975 322 Q CA 1.384 57.233 55.803 0.077 0.000 0.836 322 Q CB -0.711 28.085 28.738 0.095 0.000 0.896 322 Q HN 0.519 nan 8.270 nan 0.000 0.428 323 Y N -0.059 120.241 120.300 -0.001 0.000 2.163 323 Y HA 0.057 4.607 4.550 -0.000 0.000 0.288 323 Y C 1.093 176.995 175.900 0.002 0.000 1.136 323 Y CA 1.668 59.771 58.100 0.004 0.000 1.147 323 Y CB -0.133 38.328 38.460 0.001 0.000 0.987 323 Y HN 0.328 nan 8.280 nan 0.000 0.509 324 G N 1.869 110.720 108.800 0.085 0.000 2.353 324 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.294 324 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.294 324 G C -2.466 172.417 174.900 -0.029 0.000 1.077 324 G CA -0.067 45.031 45.100 -0.002 0.000 1.098 324 G HN 0.431 nan 8.290 nan 0.000 0.511 325 P HA 0.113 nan 4.420 nan 0.000 0.269 325 P C 0.913 178.285 177.300 0.120 0.000 1.209 325 P CA -0.011 63.246 63.100 0.262 0.000 0.776 325 P CB 1.275 33.210 31.700 0.392 0.000 0.876 326 E N 2.211 122.462 120.200 0.085 0.000 2.058 326 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 326 E C -0.251 176.258 176.600 -0.152 0.000 0.997 326 E CA 1.198 57.558 56.400 -0.067 0.000 0.801 326 E CB -0.043 29.586 29.700 -0.118 0.000 0.746 326 E HN 0.627 nan 8.360 nan 0.000 0.450 327 H N -0.778 118.387 119.070 0.159 0.000 2.529 327 H HA 0.433 4.989 4.556 -0.000 0.000 0.348 327 H C -1.220 174.210 175.328 0.169 0.000 1.079 327 H CA -0.807 55.364 56.048 0.204 0.000 1.198 327 H CB 1.823 31.651 29.762 0.110 0.000 1.521 327 H HN 0.032 nan 8.280 nan 0.000 0.514 328 L N 4.254 125.677 121.223 0.335 0.000 2.349 328 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 328 L C -1.497 175.530 176.870 0.261 0.000 0.996 328 L CA -0.358 54.613 54.840 0.219 0.000 0.825 328 L CB 0.763 42.918 42.059 0.159 0.000 1.243 328 L HN 0.648 nan 8.230 nan 0.000 0.412 329 I N 6.489 127.144 120.570 0.141 0.000 2.362 329 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 329 I C -0.559 175.600 176.117 0.069 0.000 0.994 329 I CA -0.452 60.920 61.300 0.120 0.000 1.158 329 I CB 1.642 39.630 38.000 -0.020 0.000 1.315 329 I HN 0.516 nan 8.210 nan 0.000 0.451 330 I N 6.482 127.100 120.570 0.081 0.000 2.347 330 I HA 0.229 4.399 4.170 -0.000 0.000 0.283 330 I C -0.086 176.044 176.117 0.022 0.000 1.058 330 I CA -0.289 61.035 61.300 0.040 0.000 1.202 330 I CB 0.660 38.686 38.000 0.043 0.000 1.386 330 I HN 0.559 nan 8.210 nan 0.000 0.475 331 Q N 5.573 125.372 119.800 -0.001 0.000 2.901 331 Q HA 0.230 4.570 4.340 -0.000 0.000 0.265 331 Q C -0.041 175.947 176.000 -0.019 0.000 1.263 331 Q CA -0.341 55.451 55.803 -0.018 0.000 1.088 331 Q CB 0.784 29.505 28.738 -0.029 0.000 1.339 331 Q HN 0.731 nan 8.270 nan 0.000 0.546 332 T N -3.509 111.041 114.554 -0.006 0.000 2.907 332 T HA 0.457 4.807 4.350 -0.000 0.000 0.290 332 T C 0.635 175.341 174.700 0.009 0.000 1.066 332 T CA -0.944 61.154 62.100 -0.004 0.000 1.012 332 T CB 1.673 70.540 68.868 -0.002 0.000 1.184 332 T HN 0.154 nan 8.240 nan 0.000 0.522 333 R N 0.994 121.501 120.500 0.011 0.000 2.235 333 R HA 0.153 4.493 4.340 -0.000 0.000 0.213 333 R C 1.135 177.453 176.300 0.031 0.000 1.059 333 R CA 0.877 56.992 56.100 0.025 0.000 0.997 333 R CB -0.165 30.148 30.300 0.022 0.000 0.884 333 R HN 0.773 nan 8.270 nan 0.000 0.462 334 N N -1.299 117.416 118.700 0.024 0.000 2.497 334 N HA 0.156 4.896 4.740 -0.000 0.000 0.284 334 N C 0.559 176.084 175.510 0.024 0.000 1.459 334 N CA 0.426 53.491 53.050 0.025 0.000 0.899 334 N CB 0.558 39.056 38.487 0.019 0.000 1.316 334 N HN -0.012 nan 8.380 nan 0.000 0.500 335 A N 1.981 124.818 122.820 0.028 0.000 1.896 335 A HA -0.330 3.990 4.320 -0.000 0.000 0.220 335 A C 2.300 179.900 177.584 0.027 0.000 1.206 335 A CA 2.236 54.290 52.037 0.028 0.000 0.647 335 A CB -0.683 18.338 19.000 0.035 0.000 0.828 335 A HN 0.449 nan 8.150 nan 0.000 0.455 336 R N 0.342 120.860 120.500 0.030 0.000 2.113 336 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 336 R C 1.892 178.204 176.300 0.020 0.000 1.142 336 R CA 2.420 58.535 56.100 0.026 0.000 0.953 336 R CB -0.732 29.585 30.300 0.028 0.000 0.860 336 R HN 0.733 nan 8.270 nan 0.000 0.438 337 E N -0.130 120.081 120.200 0.020 0.000 2.265 337 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 337 E C 1.910 178.519 176.600 0.014 0.000 0.996 337 E CA 1.138 57.548 56.400 0.016 0.000 0.832 337 E CB -0.113 29.596 29.700 0.015 0.000 0.756 337 E HN 0.382 nan 8.360 nan 0.000 0.491 338 L N 0.390 121.621 121.223 0.014 0.000 2.217 338 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 338 L C 2.325 179.203 176.870 0.014 0.000 1.107 338 L CA 0.301 55.148 54.840 0.012 0.000 0.783 338 L CB -0.255 41.810 42.059 0.011 0.000 0.919 338 L HN 0.048 nan 8.230 nan 0.000 0.442 339 V N 0.203 120.127 119.914 0.016 0.000 2.313 339 V HA -0.386 3.734 4.120 -0.000 0.000 0.253 339 V C 2.076 178.179 176.094 0.015 0.000 1.070 339 V CA 2.157 64.467 62.300 0.016 0.000 1.057 339 V CB -0.582 31.250 31.823 0.014 0.000 0.653 339 V HN 0.531 nan 8.190 nan 0.000 0.450 340 D N 0.359 120.767 120.400 0.013 0.000 2.178 340 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 340 D C 2.228 178.535 176.300 0.012 0.000 0.980 340 D CA 1.756 55.764 54.000 0.012 0.000 0.842 340 D CB -0.097 40.709 40.800 0.011 0.000 0.948 340 D HN 0.669 nan 8.370 nan 0.000 0.472 341 S N 0.031 115.738 115.700 0.011 0.000 2.593 341 S HA 0.027 4.497 4.470 -0.000 0.000 0.217 341 S C 0.914 175.522 174.600 0.012 0.000 0.966 341 S CA -0.263 57.943 58.200 0.010 0.000 0.914 341 S CB 0.143 63.348 63.200 0.008 0.000 0.776 341 S HN -0.008 nan 8.310 nan 0.000 0.523 342 I N 4.172 124.751 120.570 0.016 0.000 2.322 342 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 342 I C 1.507 177.637 176.117 0.021 0.000 1.060 342 I CA 0.078 61.390 61.300 0.020 0.000 1.309 342 I CB 0.338 38.353 38.000 0.026 0.000 1.415 342 I HN 0.384 nan 8.210 nan 0.000 0.492 343 T N 0.749 115.315 114.554 0.021 0.000 3.037 343 T HA 0.096 4.446 4.350 -0.000 0.000 0.251 343 T C 0.738 175.451 174.700 0.021 0.000 1.079 343 T CA -0.124 61.987 62.100 0.019 0.000 1.067 343 T CB 0.315 69.193 68.868 0.016 0.000 0.948 343 T HN 0.429 nan 8.240 nan 0.000 0.496 344 S N 0.114 115.830 115.700 0.027 0.000 2.706 344 S HA 0.715 5.185 4.470 -0.000 0.000 0.270 344 S C -1.206 173.418 174.600 0.040 0.000 1.163 344 S CA -0.089 58.127 58.200 0.027 0.000 1.042 344 S CB 0.723 63.934 63.200 0.018 0.000 1.079 344 S HN 0.959 nan 8.310 nan 0.000 0.474 345 A N 2.983 125.826 122.820 0.040 0.000 2.590 345 A HA 0.727 5.047 4.320 -0.000 0.000 0.294 345 A C 0.666 178.274 177.584 0.040 0.000 1.046 345 A CA -0.232 51.837 52.037 0.053 0.000 0.684 345 A CB 0.242 19.287 19.000 0.074 0.000 1.279 345 A HN 1.064 nan 8.150 nan 0.000 0.415 346 G N 0.008 108.826 108.800 0.031 0.000 2.499 346 G HA2 0.368 4.328 3.960 -0.000 0.000 0.213 346 G HA3 0.368 4.328 3.960 -0.000 0.000 0.213 346 G C 0.723 175.637 174.900 0.023 0.000 1.230 346 G CA 1.374 46.479 45.100 0.009 0.000 0.813 346 G HN 1.553 nan 8.290 nan 0.000 0.542 347 S N -1.114 114.616 115.700 0.050 0.000 2.538 347 S HA 0.572 5.042 4.470 -0.000 0.000 0.288 347 S C -1.008 173.649 174.600 0.096 0.000 1.108 347 S CA -0.663 57.557 58.200 0.033 0.000 0.971 347 S CB 1.790 65.029 63.200 0.065 0.000 1.041 347 S HN 0.173 nan 8.310 nan 0.000 0.483 348 V N 4.851 124.724 119.914 -0.069 0.000 2.483 348 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 348 V C -1.148 174.834 176.094 -0.188 0.000 1.035 348 V CA -0.570 61.743 62.300 0.023 0.000 0.896 348 V CB 1.093 32.922 31.823 0.010 0.000 0.986 348 V HN 0.802 nan 8.190 nan 0.000 0.447 349 F N 4.243 124.211 119.950 0.030 0.000 2.477 349 F HA 0.649 5.176 4.527 -0.000 0.000 0.335 349 F C -0.135 175.669 175.800 0.006 0.000 1.130 349 F CA -0.688 57.321 58.000 0.015 0.000 0.948 349 F CB 1.467 40.474 39.000 0.012 0.000 1.154 349 F HN 0.170 nan 8.300 nan 0.000 0.439 350 L N 3.096 124.393 121.223 0.122 0.000 2.317 350 L HA 0.869 5.209 4.340 -0.000 0.000 0.281 350 L C 0.572 177.490 176.870 0.080 0.000 1.024 350 L CA -0.625 54.265 54.840 0.083 0.000 0.810 350 L CB 1.318 43.406 42.059 0.049 0.000 1.240 350 L HN 0.868 nan 8.230 nan 0.000 0.427 351 G N 2.230 111.060 108.800 0.049 0.000 2.796 351 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.571 351 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.571 351 G C -0.083 174.754 174.900 -0.105 0.000 1.370 351 G CA -0.255 44.854 45.100 0.014 0.000 0.856 351 G HN 0.698 nan 8.290 nan 0.000 0.538 352 D N -0.386 119.819 120.400 -0.325 0.000 2.347 352 D HA 0.070 4.710 4.640 -0.000 0.000 0.213 352 D C 1.382 177.089 176.300 -0.988 0.000 0.985 352 D CA 1.130 54.753 54.000 -0.628 0.000 0.879 352 D CB 0.024 40.359 40.800 -0.775 0.000 0.919 352 D HN 0.519 nan 8.370 nan 0.000 0.526 353 W N 0.737 122.039 121.300 0.002 0.000 3.102 353 W HA 0.252 4.912 4.660 -0.000 0.000 0.401 353 W C 0.281 176.788 176.519 -0.020 0.000 1.070 353 W CA -0.364 56.947 57.345 -0.056 0.000 1.921 353 W CB 0.197 29.643 29.460 -0.022 0.000 1.118 353 W HN -0.287 nan 8.180 nan 0.000 0.647 354 S N 2.787 118.530 115.700 0.071 0.000 2.222 354 S HA 0.213 4.683 4.470 -0.000 0.000 0.173 354 S C -2.240 172.439 174.600 0.132 0.000 1.466 354 S CA -0.908 57.388 58.200 0.160 0.000 1.184 354 S CB 0.057 63.381 63.200 0.206 0.000 1.168 354 S HN -0.099 nan 8.310 nan 0.000 0.475 355 P HA 0.096 nan 4.420 nan 0.000 0.271 355 P C 0.800 177.994 177.300 -0.176 0.000 1.218 355 P CA -0.197 62.834 63.100 -0.115 0.000 0.780 355 P CB 0.996 32.627 31.700 -0.116 0.000 0.901 356 E N 1.534 121.441 120.200 -0.488 0.000 2.130 356 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 356 E C 1.559 178.024 176.600 -0.225 0.000 0.998 356 E CA 1.687 57.636 56.400 -0.752 0.000 0.806 356 E CB -0.117 29.155 29.700 -0.714 0.000 0.738 356 E HN 0.412 nan 8.360 nan 0.000 0.459 357 S N 0.647 116.283 115.700 -0.107 0.000 2.387 357 S HA -0.230 4.240 4.470 -0.000 0.000 0.230 357 S C 2.078 176.798 174.600 0.200 0.000 1.035 357 S CA 1.139 59.382 58.200 0.072 0.000 1.014 357 S CB -0.340 62.930 63.200 0.116 0.000 0.836 357 S HN 0.475 nan 8.310 nan 0.000 0.466 358 A N 1.754 124.679 122.820 0.175 0.000 1.877 358 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 358 A C 2.398 180.125 177.584 0.237 0.000 1.186 358 A CA 1.719 53.883 52.037 0.212 0.000 0.620 358 A CB -1.491 17.621 19.000 0.187 0.000 0.822 358 A HN 0.534 nan 8.150 nan 0.000 0.443 359 G N -0.426 108.591 108.800 0.361 0.000 2.408 359 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 359 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 359 G C 1.037 176.077 174.900 0.234 0.000 1.150 359 G CA 1.120 46.428 45.100 0.347 0.000 0.776 359 G HN 0.464 nan 8.290 nan 0.000 0.542 360 D N -0.675 119.795 120.400 0.116 0.000 2.264 360 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 360 D C 1.550 177.737 176.300 -0.189 0.000 0.966 360 D CA 0.885 54.843 54.000 -0.071 0.000 0.864 360 D CB 0.012 40.530 40.800 -0.470 0.000 0.933 360 D HN 0.554 nan 8.370 nan 0.000 0.499 361 Y N -0.786 119.617 120.300 0.171 0.000 2.678 361 Y HA 0.398 4.948 4.550 -0.000 0.000 0.274 361 Y C 1.814 177.768 175.900 0.091 0.000 1.114 361 Y CA 0.266 58.436 58.100 0.116 0.000 1.274 361 Y CB 0.607 39.115 38.460 0.080 0.000 1.438 361 Y HN -0.076 nan 8.280 nan 0.000 0.493 362 A N -0.889 122.077 122.820 0.244 0.000 2.704 362 A HA 0.165 4.485 4.320 -0.000 0.000 0.260 362 A C 1.518 179.158 177.584 0.093 0.000 1.144 362 A CA 0.481 52.610 52.037 0.153 0.000 0.985 362 A CB -0.715 18.370 19.000 0.142 0.000 1.256 362 A HN 0.241 nan 8.150 nan 0.000 0.598 363 S N -0.907 114.839 115.700 0.076 0.000 2.399 363 S HA 0.257 4.727 4.470 -0.000 0.000 0.231 363 S C 1.692 176.267 174.600 -0.042 0.000 1.022 363 S CA 1.798 60.002 58.200 0.006 0.000 0.983 363 S CB -0.207 62.975 63.200 -0.029 0.000 0.803 363 S HN 1.996 nan 8.310 nan 0.000 0.480 364 G N 0.480 109.271 108.800 -0.015 0.000 2.255 364 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.196 364 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.196 364 G C 0.317 175.222 174.900 0.009 0.000 0.998 364 G CA 0.128 45.242 45.100 0.023 0.000 0.656 364 G HN 1.098 nan 8.290 nan 0.000 0.490 365 T N -0.738 113.698 114.554 -0.197 0.000 2.726 365 T HA 0.502 4.852 4.350 -0.000 0.000 0.294 365 T C 0.164 174.964 174.700 0.167 0.000 1.013 365 T CA -0.038 61.950 62.100 -0.186 0.000 0.996 365 T CB 1.494 70.163 68.868 -0.332 0.000 1.016 365 T HN 0.234 nan 8.240 nan 0.000 0.529 366 N N 0.493 119.354 118.700 0.268 0.000 2.421 366 N HA 0.085 4.825 4.740 -0.000 0.000 0.285 366 N C 0.830 176.463 175.510 0.205 0.000 1.027 366 N CA -0.462 52.736 53.050 0.246 0.000 0.918 366 N CB 0.891 39.590 38.487 0.354 0.000 1.152 366 N HN 0.988 nan 8.380 nan 0.000 0.485 367 H N 1.039 120.190 119.070 0.136 0.000 2.533 367 H HA 0.189 4.745 4.556 0.000 0.000 0.271 367 H C -0.412 174.980 175.328 0.106 0.000 1.000 367 H CA -0.269 55.858 56.048 0.131 0.000 1.149 367 H CB 0.368 30.177 29.762 0.079 0.000 1.375 367 H HN 0.021 nan 8.280 nan 0.000 0.582 368 V N 3.274 123.381 119.914 0.322 0.000 2.304 368 V HA 0.202 4.322 4.120 -0.000 0.000 0.262 368 V C -0.162 176.033 176.094 0.168 0.000 1.061 368 V CA -0.211 62.244 62.300 0.257 0.000 0.872 368 V CB 0.455 32.412 31.823 0.223 0.000 1.077 368 V HN 0.303 nan 8.190 nan 0.000 0.480 369 L N 6.751 128.039 121.223 0.107 0.000 2.301 369 L HA 0.678 5.018 4.340 -0.000 0.000 0.264 369 L C -2.269 174.622 176.870 0.035 0.000 1.016 369 L CA -2.042 52.826 54.840 0.046 0.000 0.821 369 L CB 2.563 44.593 42.059 -0.048 0.000 1.346 369 L HN 0.333 nan 8.230 nan 0.000 0.429 370 P HA 0.185 nan 4.420 nan 0.000 0.279 370 P C -0.814 176.540 177.300 0.091 0.000 1.239 370 P CA -0.024 63.126 63.100 0.084 0.000 0.789 370 P CB 1.931 33.683 31.700 0.087 0.000 0.933 371 T N 0.973 115.632 114.554 0.176 0.000 2.669 371 T HA 0.291 4.641 4.350 -0.000 0.000 0.283 371 T C -0.423 174.395 174.700 0.197 0.000 1.019 371 T CA -0.553 61.624 62.100 0.129 0.000 1.039 371 T CB 0.124 69.041 68.868 0.082 0.000 1.374 371 T HN 0.484 nan 8.240 nan 0.000 0.523 372 Y N 0.027 120.258 120.300 -0.116 0.000 3.929 372 Y HA -0.290 4.260 4.550 -0.000 0.000 0.225 372 Y C 1.129 176.739 175.900 -0.484 0.000 1.200 372 Y CA 0.838 58.776 58.100 -0.270 0.000 1.791 372 Y CB -1.212 37.105 38.460 -0.238 0.000 1.561 372 Y HN 1.329 nan 8.280 nan 0.000 0.657 373 G N -1.054 107.578 108.800 -0.280 0.000 2.179 373 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.260 373 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.260 373 G C 0.199 174.947 174.900 -0.254 0.000 0.977 373 G CA 0.430 45.324 45.100 -0.342 0.000 0.641 373 G HN 0.656 nan 8.290 nan 0.000 0.533 374 Y N 1.587 121.852 120.300 -0.058 0.000 2.639 374 Y HA -0.007 4.543 4.550 0.000 0.000 0.297 374 Y C 2.982 178.860 175.900 -0.037 0.000 1.151 374 Y CA 1.470 59.544 58.100 -0.043 0.000 1.335 374 Y CB -0.012 38.439 38.460 -0.015 0.000 0.994 374 Y HN 0.461 nan 8.280 nan 0.000 0.548 375 T N -2.952 111.647 114.554 0.076 0.000 3.098 375 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 375 T C 1.990 176.707 174.700 0.029 0.000 1.145 375 T CA 0.658 62.785 62.100 0.045 0.000 1.092 375 T CB -0.219 68.658 68.868 0.016 0.000 0.908 375 T HN 0.375 nan 8.240 nan 0.000 0.526 376 A N 2.042 124.875 122.820 0.020 0.000 1.969 376 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 376 A C 2.538 180.136 177.584 0.024 0.000 1.169 376 A CA 1.808 53.850 52.037 0.009 0.000 0.635 376 A CB -0.661 18.332 19.000 -0.012 0.000 0.810 376 A HN 0.714 nan 8.150 nan 0.000 0.445 377 T N -6.523 108.057 114.554 0.044 0.000 3.029 377 T HA 0.206 4.556 4.350 -0.000 0.000 0.256 377 T C 0.438 175.155 174.700 0.028 0.000 0.914 377 T CA 0.277 62.396 62.100 0.032 0.000 0.880 377 T CB -0.654 68.232 68.868 0.030 0.000 1.246 377 T HN 0.228 nan 8.240 nan 0.000 0.523 378 C N 2.595 121.922 119.300 0.045 0.000 2.443 378 C HA 0.855 5.315 4.460 -0.000 0.000 0.369 378 C C 0.687 175.695 174.990 0.031 0.000 1.241 378 C CA -0.293 58.739 59.018 0.023 0.000 2.413 378 C CB 0.995 28.742 27.740 0.012 0.000 2.451 378 C HN 0.620 nan 8.230 nan 0.000 0.595 379 S N 0.272 115.986 115.700 0.023 0.000 2.677 379 S HA 0.526 4.996 4.470 -0.000 0.000 0.304 379 S C -0.334 174.295 174.600 0.048 0.000 1.108 379 S CA -0.440 57.780 58.200 0.034 0.000 0.944 379 S CB 1.579 64.796 63.200 0.029 0.000 1.127 379 S HN 0.903 nan 8.310 nan 0.000 0.511 380 S N 0.509 116.244 115.700 0.060 0.000 2.576 380 S HA 0.207 4.677 4.470 -0.000 0.000 0.272 380 S C -0.060 174.610 174.600 0.115 0.000 1.352 380 S CA -0.550 57.701 58.200 0.086 0.000 1.021 380 S CB -0.099 63.158 63.200 0.095 0.000 0.887 380 S HN 0.495 nan 8.310 nan 0.000 0.542 381 L N 3.699 125.018 121.223 0.160 0.000 2.456 381 L HA 0.605 4.945 4.340 -0.000 0.000 0.272 381 L C 0.686 177.717 176.870 0.269 0.000 1.189 381 L CA 1.512 56.486 54.840 0.223 0.000 0.846 381 L CB 0.224 42.445 42.059 0.271 0.000 1.111 381 L HN 0.905 nan 8.230 nan 0.000 0.475 382 G N 2.880 111.857 108.800 0.296 0.000 2.619 382 G HA2 0.272 4.232 3.960 -0.000 0.000 0.305 382 G HA3 0.272 4.232 3.960 -0.000 0.000 0.305 382 G C -0.303 174.805 174.900 0.346 0.000 1.330 382 G CA -0.225 45.031 45.100 0.259 0.000 0.789 382 G HN 0.677 nan 8.290 nan 0.000 0.487 383 L N 0.778 122.139 121.223 0.230 0.000 2.042 383 L HA 0.045 4.385 4.340 -0.000 0.000 0.210 383 L C 3.074 180.081 176.870 0.228 0.000 1.076 383 L CA 3.278 58.238 54.840 0.200 0.000 0.749 383 L CB -0.676 41.420 42.059 0.061 0.000 0.893 383 L HN 0.749 nan 8.230 nan 0.000 0.432 384 A N -1.022 121.883 122.820 0.142 0.000 1.986 384 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 384 A C 1.914 179.577 177.584 0.131 0.000 1.171 384 A CA 1.984 54.086 52.037 0.108 0.000 0.640 384 A CB -0.818 18.215 19.000 0.055 0.000 0.811 384 A HN 0.609 nan 8.150 nan 0.000 0.451 385 D N -1.514 118.989 120.400 0.172 0.000 2.371 385 D HA -0.022 4.618 4.640 -0.000 0.000 0.221 385 D C 0.099 176.373 176.300 -0.044 0.000 0.986 385 D CA 0.757 54.798 54.000 0.068 0.000 0.899 385 D CB -0.106 40.737 40.800 0.073 0.000 0.902 385 D HN 0.557 nan 8.370 nan 0.000 0.530 386 F N 0.558 120.587 119.950 0.132 0.000 2.668 386 F HA 0.201 4.728 4.527 -0.000 0.000 0.301 386 F C 1.043 176.883 175.800 0.066 0.000 1.106 386 F CA -0.355 57.700 58.000 0.092 0.000 1.289 386 F CB 0.383 39.350 39.000 -0.055 0.000 1.006 386 F HN -0.153 nan 8.300 nan 0.000 0.535 387 Q N 0.255 120.161 119.800 0.177 0.000 2.814 387 Q HA 0.511 4.851 4.340 -0.000 0.000 0.322 387 Q C -1.614 174.429 176.000 0.071 0.000 0.861 387 Q CA -1.214 54.657 55.803 0.114 0.000 0.773 387 Q CB 2.471 31.269 28.738 0.100 0.000 1.423 387 Q HN 0.003 nan 8.270 nan 0.000 0.495 388 K N 0.436 120.866 120.400 0.050 0.000 2.532 388 K HA 0.603 4.923 4.320 -0.000 0.000 0.265 388 K C -1.178 175.437 176.600 0.025 0.000 0.948 388 K CA -0.806 55.499 56.287 0.031 0.000 0.842 388 K CB 2.840 35.355 32.500 0.024 0.000 1.392 388 K HN 0.745 nan 8.250 nan 0.000 0.436 392 V N 2.333 122.253 119.914 0.011 0.000 2.888 392 V HA 0.820 4.940 4.120 -0.000 0.000 0.309 392 V C -1.014 175.087 176.094 0.013 0.000 1.114 392 V CA -0.828 61.478 62.300 0.010 0.000 0.940 392 V CB 1.879 33.707 31.823 0.009 0.000 1.021 392 V HN 1.224 nan 8.190 nan 0.000 0.426 393 Q N 2.515 122.323 119.800 0.014 0.000 2.379 393 Q HA 0.779 5.119 4.340 -0.000 0.000 0.278 393 Q C -1.396 174.615 176.000 0.018 0.000 1.068 393 Q CA -0.859 54.955 55.803 0.019 0.000 0.816 393 Q CB 3.504 32.257 28.738 0.025 0.000 1.387 393 Q HN 0.807 nan 8.270 nan 0.000 0.413 394 E N 2.568 122.781 120.200 0.022 0.000 2.294 394 E HA 0.403 4.753 4.350 -0.000 0.000 0.272 394 E C -1.808 174.812 176.600 0.034 0.000 0.896 394 E CA -0.591 55.821 56.400 0.021 0.000 0.802 394 E CB 1.409 31.117 29.700 0.013 0.000 1.267 394 E HN 0.554 nan 8.360 nan 0.000 0.406 395 L N 3.517 124.769 121.223 0.048 0.000 2.282 395 L HA 0.379 4.719 4.340 -0.000 0.000 0.288 395 L C 0.435 177.347 176.870 0.071 0.000 1.033 395 L CA -0.211 54.676 54.840 0.079 0.000 0.807 395 L CB 1.564 43.709 42.059 0.144 0.000 1.209 395 L HN 0.627 nan 8.230 nan 0.000 0.423 396 S N 2.240 117.981 115.700 0.069 0.000 2.634 396 S HA 0.279 4.749 4.470 -0.000 0.000 0.261 396 S C 1.077 175.734 174.600 0.095 0.000 1.271 396 S CA -0.497 57.737 58.200 0.057 0.000 0.985 396 S CB 0.728 63.955 63.200 0.045 0.000 0.968 396 S HN 0.596 nan 8.310 nan 0.000 0.568 397 K N 0.499 120.944 120.400 0.075 0.000 2.063 397 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 397 K C 2.090 178.776 176.600 0.143 0.000 1.048 397 K CA 1.878 58.231 56.287 0.110 0.000 0.928 397 K CB -0.311 32.228 32.500 0.064 0.000 0.713 397 K HN 0.600 nan 8.250 nan 0.000 0.442 398 E N 0.097 120.350 120.200 0.087 0.000 2.028 398 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 398 E C 2.115 178.753 176.600 0.062 0.000 0.988 398 E CA 1.360 57.799 56.400 0.064 0.000 0.799 398 E CB -0.641 29.083 29.700 0.039 0.000 0.755 398 E HN 0.421 nan 8.360 nan 0.000 0.447 399 G N 0.395 109.237 108.800 0.071 0.000 2.446 399 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 399 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 399 G C 1.549 176.489 174.900 0.067 0.000 1.168 399 G CA 0.871 46.006 45.100 0.058 0.000 0.771 399 G HN 0.316 nan 8.290 nan 0.000 0.551 400 F N 2.168 122.119 119.950 0.003 0.000 2.095 400 F HA -0.120 4.407 4.527 0.000 0.000 0.298 400 F C 2.875 178.677 175.800 0.004 0.000 1.104 400 F CA 2.043 60.044 58.000 0.003 0.000 1.232 400 F CB -0.273 38.728 39.000 0.002 0.000 0.987 400 F HN 0.155 nan 8.300 nan 0.000 0.475 401 S N 0.523 116.175 115.700 -0.080 0.000 2.400 401 S HA -0.160 4.310 4.470 -0.000 0.000 0.232 401 S C 2.157 176.639 174.600 -0.197 0.000 1.025 401 S CA 1.010 59.107 58.200 -0.173 0.000 0.993 401 S CB -0.785 62.428 63.200 0.022 0.000 0.808 401 S HN 0.558 nan 8.310 nan 0.000 0.478 402 A N 0.020 122.766 122.820 -0.123 0.000 2.119 402 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 402 A C 1.833 179.339 177.584 -0.129 0.000 1.153 402 A CA 0.733 52.712 52.037 -0.097 0.000 0.692 402 A CB -0.168 18.803 19.000 -0.048 0.000 0.799 402 A HN 0.404 nan 8.150 nan 0.000 0.458 403 L N -2.111 118.990 121.223 -0.203 0.000 2.701 403 L HA 0.422 4.762 4.340 -0.000 0.000 0.238 403 L C 2.362 179.068 176.870 -0.274 0.000 1.106 403 L CA 1.035 55.762 54.840 -0.188 0.000 0.898 403 L CB -0.300 41.680 42.059 -0.131 0.000 1.188 403 L HN 0.259 nan 8.230 nan 0.000 0.508 404 A N -0.775 121.756 122.820 -0.483 0.000 1.884 404 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 404 A C 2.497 179.950 177.584 -0.219 0.000 1.197 404 A CA 2.381 54.113 52.037 -0.507 0.000 0.637 404 A CB -1.137 17.485 19.000 -0.629 0.000 0.827 404 A HN 0.466 nan 8.150 nan 0.000 0.450 405 S N -1.366 114.238 115.700 -0.161 0.000 2.370 405 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 405 S C 2.055 176.616 174.600 -0.066 0.000 1.033 405 S CA 2.311 60.458 58.200 -0.089 0.000 1.011 405 S CB -0.732 62.425 63.200 -0.072 0.000 0.852 405 S HN 0.630 nan 8.310 nan 0.000 0.457 406 T N 2.557 117.067 114.554 -0.073 0.000 2.708 406 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 406 T C 1.728 176.407 174.700 -0.035 0.000 1.037 406 T CA 1.679 63.750 62.100 -0.048 0.000 1.146 406 T CB -0.415 68.424 68.868 -0.049 0.000 0.865 406 T HN 0.463 nan 8.240 nan 0.000 0.435 407 I N 0.937 121.481 120.570 -0.043 0.000 2.226 407 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 407 I C 2.593 178.715 176.117 0.008 0.000 1.100 407 I CA 1.358 62.654 61.300 -0.008 0.000 1.374 407 I CB -0.472 37.530 38.000 0.003 0.000 1.057 407 I HN 0.315 nan 8.210 nan 0.000 0.413 408 E N 0.494 120.690 120.200 -0.005 0.000 2.077 408 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 408 E C 2.179 178.781 176.600 0.004 0.000 0.989 408 E CA 1.777 58.183 56.400 0.010 0.000 0.800 408 E CB -0.180 29.521 29.700 0.002 0.000 0.746 408 E HN 0.440 nan 8.360 nan 0.000 0.452 409 T N 1.651 116.200 114.554 -0.008 0.000 2.746 409 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 409 T C 1.960 176.656 174.700 -0.008 0.000 1.039 409 T CA 0.895 62.990 62.100 -0.009 0.000 1.142 409 T CB -0.157 68.702 68.868 -0.015 0.000 0.866 409 T HN 0.076 nan 8.240 nan 0.000 0.444 410 L N 0.666 121.884 121.223 -0.007 0.000 2.027 410 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 410 L C 3.123 179.985 176.870 -0.014 0.000 1.074 410 L CA 1.192 56.026 54.840 -0.010 0.000 0.745 410 L CB -0.791 41.263 42.059 -0.008 0.000 0.898 410 L HN 0.216 nan 8.230 nan 0.000 0.433 411 A N 0.314 123.135 122.820 0.001 0.000 1.908 411 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 411 A C 2.535 180.115 177.584 -0.008 0.000 1.181 411 A CA 1.940 53.975 52.037 -0.002 0.000 0.627 411 A CB -0.763 18.274 19.000 0.062 0.000 0.818 411 A HN 0.421 nan 8.150 nan 0.000 0.445 412 A N -0.266 122.555 122.820 0.003 0.000 1.902 412 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 412 A C 2.464 180.043 177.584 -0.009 0.000 1.181 412 A CA 2.085 54.123 52.037 0.001 0.000 0.623 412 A CB -0.936 18.066 19.000 0.004 0.000 0.818 412 A HN 1.121 nan 8.150 nan 0.000 0.443 413 A N -0.454 122.358 122.820 -0.014 0.000 2.015 413 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 413 A C 1.723 179.292 177.584 -0.025 0.000 1.163 413 A CA 1.335 53.362 52.037 -0.017 0.000 0.646 413 A CB -0.324 18.666 19.000 -0.016 0.000 0.806 413 A HN 0.623 nan 8.150 nan 0.000 0.448 414 E N -0.877 119.301 120.200 -0.037 0.000 2.465 414 E HA 0.101 4.451 4.350 -0.000 0.000 0.191 414 E C -0.312 176.258 176.600 -0.050 0.000 1.053 414 E CA -0.324 56.045 56.400 -0.052 0.000 0.869 414 E CB 0.052 29.701 29.700 -0.085 0.000 0.977 414 E HN 0.461 nan 8.360 nan 0.000 0.483 415 R N 0.409 120.890 120.500 -0.031 0.000 3.525 415 R HA -0.175 4.165 4.340 -0.000 0.000 0.276 415 R C -0.514 175.775 176.300 -0.018 0.000 1.116 415 R CA 0.341 56.431 56.100 -0.018 0.000 0.745 415 R CB -2.012 28.279 30.300 -0.014 0.000 1.185 415 R HN 0.202 nan 8.270 nan 0.000 0.454 416 L N 0.641 121.847 121.223 -0.029 0.000 2.494 416 L HA 0.143 4.483 4.340 -0.000 0.000 0.251 416 L C 1.564 178.479 176.870 0.076 0.000 1.119 416 L CA -0.379 54.454 54.840 -0.011 0.000 1.026 416 L CB 1.077 43.016 42.059 -0.200 0.000 1.370 416 L HN 0.149 nan 8.230 nan 0.000 0.426 417 T N 0.424 115.017 114.554 0.064 0.000 2.635 417 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 417 T C 2.039 176.790 174.700 0.086 0.000 1.040 417 T CA 1.915 64.053 62.100 0.064 0.000 1.156 417 T CB 0.063 68.957 68.868 0.043 0.000 0.863 417 T HN 0.673 nan 8.240 nan 0.000 0.430 418 A N 1.103 123.982 122.820 0.100 0.000 1.940 418 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 418 A C 2.009 179.635 177.584 0.069 0.000 1.176 418 A CA 1.993 54.072 52.037 0.069 0.000 0.631 418 A CB -0.914 18.115 19.000 0.049 0.000 0.814 418 A HN 0.602 nan 8.150 nan 0.000 0.446 419 H N -0.520 118.561 119.070 0.019 0.000 2.353 419 H HA -0.083 4.473 4.556 0.000 0.000 0.300 419 H C 2.075 177.424 175.328 0.034 0.000 1.090 419 H CA 1.895 57.959 56.048 0.026 0.000 1.327 419 H CB -0.018 29.757 29.762 0.021 0.000 1.383 419 H HN 0.594 nan 8.280 nan 0.000 0.508 420 K N 0.325 120.819 120.400 0.157 0.000 2.025 420 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 420 K C 1.537 178.184 176.600 0.078 0.000 1.049 420 K CA 1.417 57.762 56.287 0.098 0.000 0.933 420 K CB 0.146 32.687 32.500 0.068 0.000 0.714 420 K HN 0.179 nan 8.250 nan 0.000 0.438 421 N N 0.965 119.703 118.700 0.063 0.000 2.289 421 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 421 N C 1.497 177.034 175.510 0.045 0.000 1.016 421 N CA 1.186 54.264 53.050 0.047 0.000 0.872 421 N CB -0.309 38.197 38.487 0.032 0.000 0.973 421 N HN 0.335 nan 8.380 nan 0.000 0.433 422 A N 0.207 123.051 122.820 0.040 0.000 2.015 422 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 422 A C 2.336 179.968 177.584 0.080 0.000 1.163 422 A CA 0.928 52.980 52.037 0.025 0.000 0.646 422 A CB -0.279 18.713 19.000 -0.013 0.000 0.806 422 A HN 0.116 nan 8.150 nan 0.000 0.448 423 V N -0.908 119.091 119.914 0.142 0.000 2.379 423 V HA -0.135 3.985 4.120 -0.000 0.000 0.243 423 V C 2.656 178.896 176.094 0.244 0.000 1.035 423 V CA 2.189 64.655 62.300 0.277 0.000 1.035 423 V CB -1.111 30.831 31.823 0.197 0.000 0.673 423 V HN 0.543 nan 8.190 nan 0.000 0.457 424 T N 0.898 115.530 114.554 0.131 0.000 2.720 424 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 424 T C 1.933 176.685 174.700 0.086 0.000 1.037 424 T CA 1.585 63.743 62.100 0.096 0.000 1.144 424 T CB -0.335 68.569 68.868 0.059 0.000 0.864 424 T HN 0.247 nan 8.240 nan 0.000 0.444 425 L N 0.241 121.501 121.223 0.063 0.000 2.012 425 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 425 L C 2.932 179.817 176.870 0.025 0.000 1.073 425 L CA 1.537 56.396 54.840 0.030 0.000 0.748 425 L CB -0.413 41.650 42.059 0.005 0.000 0.891 425 L HN 0.172 nan 8.230 nan 0.000 0.431 426 R N -0.923 119.593 120.500 0.026 0.000 2.075 426 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 426 R C 2.210 178.581 176.300 0.118 0.000 1.126 426 R CA 1.048 57.117 56.100 -0.051 0.000 0.963 426 R CB -0.381 29.689 30.300 -0.384 0.000 0.858 426 R HN 0.169 nan 8.270 nan 0.000 0.435 427 V N 1.889 121.968 119.914 0.276 0.000 2.407 427 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 427 V C 1.660 177.827 176.094 0.121 0.000 1.055 427 V CA 1.683 64.133 62.300 0.250 0.000 1.049 427 V CB -0.498 31.428 31.823 0.171 0.000 0.662 427 V HN 0.343 nan 8.190 nan 0.000 0.455 428 N N 0.553 119.302 118.700 0.082 0.000 2.188 428 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 428 N C 1.890 177.422 175.510 0.036 0.000 1.018 428 N CA 1.546 54.625 53.050 0.049 0.000 0.858 428 N CB -0.435 38.074 38.487 0.035 0.000 0.989 428 N HN 0.491 nan 8.380 nan 0.000 0.426 429 A N 1.282 124.119 122.820 0.028 0.000 1.902 429 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 429 A C 2.369 179.963 177.584 0.017 0.000 1.181 429 A CA 0.863 52.905 52.037 0.009 0.000 0.623 429 A CB -0.727 18.264 19.000 -0.015 0.000 0.818 429 A HN 0.195 nan 8.150 nan 0.000 0.443 430 L N -0.689 120.557 121.223 0.037 0.000 2.046 430 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 430 L C 2.573 179.469 176.870 0.042 0.000 1.077 430 L CA 1.621 56.489 54.840 0.048 0.000 0.747 430 L CB -0.426 41.691 42.059 0.096 0.000 0.896 430 L HN 0.373 nan 8.230 nan 0.000 0.432 431 K N -0.028 120.399 120.400 0.045 0.000 2.103 431 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 431 K C 1.873 178.487 176.600 0.022 0.000 1.048 431 K CA 1.331 57.638 56.287 0.033 0.000 0.930 431 K CB -0.082 32.437 32.500 0.032 0.000 0.716 431 K HN 0.396 nan 8.250 nan 0.000 0.444 432 E N 0.423 120.635 120.200 0.019 0.000 2.358 432 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 432 E C 1.610 178.216 176.600 0.010 0.000 1.010 432 E CA 0.638 57.046 56.400 0.013 0.000 0.856 432 E CB 0.236 29.942 29.700 0.010 0.000 0.795 432 E HN 0.349 nan 8.360 nan 0.000 0.504 433 Q N -0.091 119.716 119.800 0.012 0.000 2.384 433 Q HA 0.179 4.519 4.340 -0.000 0.000 0.207 433 Q C 0.630 176.637 176.000 0.012 0.000 0.904 433 Q CA -0.215 55.593 55.803 0.009 0.000 0.933 433 Q CB 0.723 29.465 28.738 0.007 0.000 1.077 433 Q HN 0.066 nan 8.270 nan 0.000 0.522 434 A N 0.000 122.829 122.820 0.016 0.000 2.254 434 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 434 A CA 0.000 52.047 52.037 0.016 0.000 0.836 434 A CB 0.000 19.012 19.000 0.020 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486