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 3oe7_1_E DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AVGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLEG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.328 177.300 0.047 0.000 1.155 8 P CA 0.000 63.118 63.100 0.029 0.000 0.800 8 P CB 0.000 31.716 31.700 0.027 0.000 0.726 9 I N 1.357 121.964 120.570 0.062 0.000 2.306 9 I HA 0.353 4.522 4.170 -0.001 0.000 0.288 9 I C 0.376 176.613 176.117 0.201 0.000 1.036 9 I CA 0.059 61.422 61.300 0.104 0.000 1.221 9 I CB 1.585 39.618 38.000 0.054 0.000 1.385 9 I HN 0.240 nan 8.210 nan 0.000 0.472 10 T N 4.375 119.040 114.554 0.185 0.000 2.902 10 T HA 0.713 5.063 4.350 -0.001 0.000 0.283 10 T C 0.302 175.029 174.700 0.044 0.000 1.009 10 T CA -0.525 61.652 62.100 0.129 0.000 1.051 10 T CB 1.685 70.580 68.868 0.045 0.000 0.999 10 T HN 0.778 nan 8.240 nan 0.000 0.474 11 G N 1.411 110.051 108.800 -0.267 0.000 3.015 11 G HA2 0.724 4.683 3.960 -0.001 0.000 0.281 11 G HA3 0.724 4.683 3.960 -0.001 0.000 0.281 11 G C -1.546 173.117 174.900 -0.394 0.000 1.386 11 G CA -0.764 43.869 45.100 -0.777 0.000 0.959 11 G HN 0.545 nan 8.290 nan 0.000 0.522 12 K N -0.101 120.089 120.400 -0.350 0.000 2.378 12 K HA 0.491 4.810 4.320 -0.001 0.000 0.252 12 K C -0.914 175.598 176.600 -0.147 0.000 0.931 12 K CA -0.734 55.445 56.287 -0.179 0.000 0.794 12 K CB 2.919 35.346 32.500 -0.122 0.000 1.181 12 K HN 0.238 nan 8.250 nan 0.000 0.425 13 V N 2.667 122.523 119.914 -0.097 0.000 2.479 13 V HA -0.015 4.104 4.120 -0.001 0.000 0.281 13 V C 1.446 177.512 176.094 -0.046 0.000 1.031 13 V CA 0.340 62.605 62.300 -0.059 0.000 1.038 13 V CB 0.619 32.419 31.823 -0.039 0.000 0.981 13 V HN 1.031 nan 8.190 nan 0.000 0.478 14 T N 0.966 115.505 114.554 -0.026 0.000 3.014 14 T HA 0.561 4.910 4.350 -0.001 0.000 0.250 14 T C 0.418 175.111 174.700 -0.012 0.000 1.060 14 T CA 0.485 62.571 62.100 -0.024 0.000 1.040 14 T CB 0.496 69.359 68.868 -0.009 0.000 0.971 14 T HN 1.009 nan 8.240 nan 0.000 0.497 15 A N 0.443 123.260 122.820 -0.004 0.000 2.547 15 A HA 0.687 5.007 4.320 -0.001 0.000 0.297 15 A C -1.532 176.053 177.584 0.002 0.000 1.056 15 A CA -0.685 51.352 52.037 0.000 0.000 0.688 15 A CB 1.887 20.892 19.000 0.008 0.000 1.282 15 A HN 0.253 nan 8.150 nan 0.000 0.400 16 V N 2.785 122.700 119.914 0.000 0.000 2.525 16 V HA 0.522 4.641 4.120 -0.001 0.000 0.299 16 V C -0.714 175.381 176.094 0.002 0.000 1.034 16 V CA -0.093 62.208 62.300 0.002 0.000 0.863 16 V CB 1.385 33.208 31.823 -0.001 0.000 0.999 16 V HN 0.718 nan 8.190 nan 0.000 0.423 17 I N 4.702 125.275 120.570 0.004 0.000 2.714 17 I HA 0.554 4.723 4.170 -0.001 0.000 0.276 17 I C 0.965 177.084 176.117 0.002 0.000 1.196 17 I CA -0.010 61.292 61.300 0.003 0.000 1.068 17 I CB 1.131 39.133 38.000 0.004 0.000 1.291 17 I HN 0.853 nan 8.210 nan 0.000 0.530 18 G N 4.083 112.883 108.800 0.001 0.000 2.561 18 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.289 18 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.289 18 G C 0.878 175.780 174.900 0.002 0.000 1.169 18 G CA 0.454 45.554 45.100 0.000 0.000 0.980 18 G HN 0.743 nan 8.290 nan 0.000 0.550 19 A N -0.395 122.426 122.820 0.002 0.000 2.235 19 A HA 0.471 4.790 4.320 -0.001 0.000 0.208 19 A C 1.057 178.647 177.584 0.009 0.000 1.172 19 A CA 1.095 53.134 52.037 0.004 0.000 0.786 19 A CB -0.206 18.794 19.000 0.001 0.000 0.804 19 A HN 0.656 nan 8.150 nan 0.000 0.479 20 I N 1.110 121.685 120.570 0.008 0.000 2.325 20 I HA 0.291 4.461 4.170 -0.001 0.000 0.291 20 I C -0.520 175.607 176.117 0.016 0.000 1.019 20 I CA -0.495 60.813 61.300 0.013 0.000 1.302 20 I CB 0.992 38.999 38.000 0.012 0.000 1.401 20 I HN -0.144 nan 8.210 nan 0.000 0.485 21 V N 5.882 125.810 119.914 0.024 0.000 2.487 21 V HA 0.370 4.490 4.120 -0.001 0.000 0.298 21 V C -0.401 175.714 176.094 0.035 0.000 1.028 21 V CA -0.832 61.483 62.300 0.025 0.000 0.860 21 V CB 2.233 34.070 31.823 0.024 0.000 0.991 21 V HN 0.562 nan 8.190 nan 0.000 0.427 22 D N 3.418 123.836 120.400 0.031 0.000 2.198 22 D HA 0.601 5.240 4.640 -0.001 0.000 0.245 22 D C -0.594 175.726 176.300 0.032 0.000 1.079 22 D CA -0.016 54.009 54.000 0.041 0.000 0.854 22 D CB 2.343 43.166 40.800 0.038 0.000 1.148 22 D HN 0.254 nan 8.370 nan 0.000 0.456 23 V N 2.482 122.425 119.914 0.048 0.000 2.709 23 V HA 0.204 4.323 4.120 -0.001 0.000 0.308 23 V C -0.354 175.728 176.094 -0.019 0.000 1.062 23 V CA -0.836 61.454 62.300 -0.016 0.000 0.901 23 V CB 2.459 34.276 31.823 -0.010 0.000 1.003 23 V HN 0.562 nan 8.190 nan 0.000 0.425 24 H N 3.552 122.467 119.070 -0.259 0.000 2.469 24 H HA 0.655 5.210 4.556 -0.001 0.000 0.342 24 H C -1.643 173.437 175.328 -0.413 0.000 1.115 24 H CA -0.221 55.713 56.048 -0.190 0.000 1.204 24 H CB 1.599 31.286 29.762 -0.124 0.000 1.492 24 H HN 0.492 nan 8.280 nan 0.000 0.499 25 F N 1.027 120.736 119.950 -0.401 0.000 2.790 25 F HA 0.302 4.828 4.527 -0.001 0.000 0.386 25 F C 0.296 175.961 175.800 -0.226 0.000 1.206 25 F CA -0.860 57.019 58.000 -0.202 0.000 1.109 25 F CB 0.791 39.688 39.000 -0.173 0.000 1.469 25 F HN 0.405 nan 8.300 nan 0.000 0.513 26 E N 0.337 120.623 120.200 0.144 0.000 2.212 26 E HA 0.302 4.652 4.350 -0.001 0.000 0.270 26 E C -1.149 175.456 176.600 0.008 0.000 0.956 26 E CA -0.849 55.586 56.400 0.058 0.000 0.825 26 E CB 1.216 30.961 29.700 0.075 0.000 1.167 26 E HN 0.344 nan 8.360 nan 0.000 0.400 27 Q N 0.384 120.180 119.800 -0.007 0.000 2.310 27 Q HA 0.013 4.352 4.340 -0.001 0.000 0.315 27 Q C 0.535 176.513 176.000 -0.037 0.000 1.081 27 Q CA 0.822 56.608 55.803 -0.028 0.000 0.981 27 Q CB -0.091 28.640 28.738 -0.012 0.000 1.184 27 Q HN 0.723 nan 8.270 nan 0.000 0.389 28 S N -0.242 115.424 115.700 -0.057 0.000 3.270 28 S HA -0.364 4.106 4.470 -0.001 0.000 0.330 28 S C 0.612 175.166 174.600 -0.076 0.000 1.222 28 S CA 1.657 59.821 58.200 -0.060 0.000 0.971 28 S CB -1.271 61.909 63.200 -0.033 0.000 1.007 28 S HN 0.864 nan 8.310 nan 0.000 0.614 29 E N -0.174 119.970 120.200 -0.094 0.000 2.624 29 E HA 0.373 4.722 4.350 -0.001 0.000 0.210 29 E C 0.012 176.461 176.600 -0.252 0.000 0.997 29 E CA -0.411 55.927 56.400 -0.104 0.000 0.999 29 E CB 0.220 29.906 29.700 -0.023 0.000 1.040 29 E HN 0.747 nan 8.360 nan 0.000 0.469 30 L N 3.073 124.107 121.223 -0.315 0.000 2.397 30 L HA 0.262 4.601 4.340 -0.001 0.000 0.271 30 L C -1.821 174.750 176.870 -0.498 0.000 1.148 30 L CA -1.731 52.774 54.840 -0.559 0.000 0.825 30 L CB 0.048 41.786 42.059 -0.534 0.000 1.117 30 L HN 0.035 nan 8.230 nan 0.000 0.456 31 P HA 0.118 nan 4.420 nan 0.000 0.271 31 P C -0.656 176.601 177.300 -0.071 0.000 1.218 31 P CA -0.432 62.473 63.100 -0.325 0.000 0.780 31 P CB 0.844 32.348 31.700 -0.327 0.000 0.901 32 A N 3.521 126.329 122.820 -0.019 0.000 2.406 32 A HA 0.239 4.559 4.320 -0.001 0.000 0.243 32 A C 0.660 178.260 177.584 0.028 0.000 1.082 32 A CA -0.542 51.517 52.037 0.037 0.000 0.786 32 A CB -0.456 18.532 19.000 -0.020 0.000 1.029 32 A HN 0.549 nan 8.150 nan 0.000 0.495 33 I N 0.985 121.520 120.570 -0.057 0.000 2.775 33 I HA -0.052 4.117 4.170 -0.001 0.000 0.290 33 I C 0.756 176.810 176.117 -0.106 0.000 1.203 33 I CA 0.874 62.112 61.300 -0.103 0.000 1.433 33 I CB 0.108 37.987 38.000 -0.202 0.000 1.354 33 I HN 0.744 nan 8.210 nan 0.000 0.579 34 L N 2.222 123.385 121.223 -0.100 0.000 4.110 34 L HA -0.248 4.091 4.340 -0.001 0.000 0.404 34 L C 0.235 177.084 176.870 -0.034 0.000 0.763 34 L CA 0.072 54.822 54.840 -0.148 0.000 2.413 34 L CB -1.384 40.456 42.059 -0.364 0.000 1.244 34 L HN 0.677 nan 8.230 nan 0.000 0.614 35 N N 1.192 119.884 118.700 -0.014 0.000 2.441 35 N HA 0.446 5.185 4.740 -0.001 0.000 0.251 35 N C 0.285 175.816 175.510 0.035 0.000 1.242 35 N CA 0.961 54.017 53.050 0.011 0.000 0.898 35 N CB 0.760 39.240 38.487 -0.011 0.000 1.100 35 N HN 0.313 nan 8.380 nan 0.000 0.443 36 A N 2.359 125.205 122.820 0.043 0.000 2.331 36 A HA 0.551 4.870 4.320 -0.001 0.000 0.283 36 A C -0.309 177.307 177.584 0.053 0.000 1.142 36 A CA -0.466 51.601 52.037 0.050 0.000 0.812 36 A CB 0.097 19.124 19.000 0.046 0.000 1.074 36 A HN 0.611 nan 8.150 nan 0.000 0.497 37 L N 1.625 122.890 121.223 0.069 0.000 2.333 37 L HA 0.596 4.936 4.340 -0.001 0.000 0.269 37 L C 0.059 176.970 176.870 0.068 0.000 1.010 37 L CA -0.515 54.379 54.840 0.090 0.000 0.818 37 L CB 1.909 44.053 42.059 0.141 0.000 1.306 37 L HN 0.751 nan 8.230 nan 0.000 0.430 38 E N 1.904 122.143 120.200 0.065 0.000 2.238 38 E HA 0.640 4.990 4.350 -0.001 0.000 0.267 38 E C -1.358 175.263 176.600 0.036 0.000 0.887 38 E CA -0.640 55.786 56.400 0.043 0.000 0.769 38 E CB 3.217 32.938 29.700 0.035 0.000 1.187 38 E HN 0.381 nan 8.360 nan 0.000 0.416 39 I N 2.660 123.245 120.570 0.024 0.000 2.468 39 I HA 0.235 4.405 4.170 -0.001 0.000 0.285 39 I C -0.733 175.390 176.117 0.011 0.000 1.039 39 I CA -0.893 60.416 61.300 0.014 0.000 1.074 39 I CB 1.582 39.587 38.000 0.010 0.000 1.228 39 I HN 0.170 nan 8.210 nan 0.000 0.436 40 K N 4.011 124.416 120.400 0.008 0.000 2.350 40 K HA 0.366 4.686 4.320 -0.001 0.000 0.279 40 K C 0.154 176.756 176.600 0.003 0.000 1.027 40 K CA 0.001 56.291 56.287 0.006 0.000 0.969 40 K CB 0.736 33.239 32.500 0.005 0.000 0.954 40 K HN 0.689 nan 8.250 nan 0.000 0.474 41 T N -0.216 114.340 114.554 0.004 0.000 2.927 41 T HA 0.427 4.777 4.350 -0.001 0.000 0.286 41 T C -1.659 173.042 174.700 0.001 0.000 1.040 41 T CA -1.814 60.287 62.100 0.002 0.000 1.010 41 T CB 1.148 70.018 68.868 0.003 0.000 1.177 41 T HN 0.227 nan 8.240 nan 0.000 0.546 42 P HA -0.090 nan 4.420 nan 0.000 0.215 42 P C 1.371 178.672 177.300 0.001 0.000 1.157 42 P CA 1.245 64.345 63.100 0.000 0.000 0.874 42 P CB 0.075 31.775 31.700 -0.000 0.000 0.790 43 Q N -1.378 118.423 119.800 0.002 0.000 2.036 43 Q HA 0.194 4.534 4.340 -0.001 0.000 0.195 43 Q C 1.826 177.828 176.000 0.003 0.000 0.971 43 Q CA 1.689 57.493 55.803 0.002 0.000 0.826 43 Q CB -0.876 27.864 28.738 0.002 0.000 0.896 43 Q HN 0.304 nan 8.270 nan 0.000 0.449 44 G N -0.283 108.519 108.800 0.003 0.000 3.226 44 G HA2 0.386 4.346 3.960 -0.001 0.000 0.175 44 G HA3 0.386 4.346 3.960 -0.001 0.000 0.175 44 G C -1.236 173.667 174.900 0.005 0.000 1.509 44 G CA -0.263 44.840 45.100 0.004 0.000 1.046 44 G HN 0.143 nan 8.290 nan 0.000 0.768 45 K N -0.197 120.207 120.400 0.007 0.000 2.589 45 K HA 0.603 4.922 4.320 -0.001 0.000 0.253 45 K C -1.737 174.870 176.600 0.012 0.000 0.974 45 K CA -0.785 55.507 56.287 0.009 0.000 0.835 45 K CB 2.239 34.745 32.500 0.010 0.000 1.272 45 K HN 0.423 nan 8.250 nan 0.000 0.444 46 L N 3.275 124.506 121.223 0.013 0.000 2.360 46 L HA 0.322 4.662 4.340 -0.001 0.000 0.276 46 L C -1.060 175.823 176.870 0.022 0.000 1.121 46 L CA 0.025 54.875 54.840 0.016 0.000 0.845 46 L CB 1.271 43.338 42.059 0.013 0.000 1.143 46 L HN 0.577 nan 8.230 nan 0.000 0.452 47 V N 6.719 126.647 119.914 0.024 0.000 2.435 47 V HA 0.463 4.583 4.120 -0.001 0.000 0.290 47 V C 0.057 176.173 176.094 0.037 0.000 1.030 47 V CA -0.627 61.692 62.300 0.032 0.000 0.881 47 V CB 1.459 33.300 31.823 0.030 0.000 0.983 47 V HN 0.623 nan 8.190 nan 0.000 0.445 48 L N 3.719 124.970 121.223 0.047 0.000 2.346 48 L HA 0.661 5.001 4.340 -0.001 0.000 0.274 48 L C -0.122 176.784 176.870 0.060 0.000 1.007 48 L CA -0.467 54.404 54.840 0.052 0.000 0.818 48 L CB 2.045 44.139 42.059 0.059 0.000 1.284 48 L HN 0.608 nan 8.230 nan 0.000 0.424 49 E N 1.700 121.935 120.200 0.058 0.000 2.158 49 E HA 0.366 4.716 4.350 -0.001 0.000 0.271 49 E C -1.149 175.482 176.600 0.052 0.000 0.911 49 E CA -0.795 55.641 56.400 0.060 0.000 0.767 49 E CB 2.136 31.880 29.700 0.074 0.000 1.120 49 E HN 0.343 nan 8.360 nan 0.000 0.405 50 V N 3.945 123.888 119.914 0.048 0.000 2.529 50 V HA 0.070 4.189 4.120 -0.001 0.000 0.292 50 V C 0.899 177.005 176.094 0.020 0.000 1.028 50 V CA 0.868 63.202 62.300 0.056 0.000 1.074 50 V CB 0.830 32.695 31.823 0.070 0.000 0.958 50 V HN 0.880 nan 8.190 nan 0.000 0.481 51 A N 4.178 127.016 122.820 0.029 0.000 2.026 51 A HA 0.337 4.657 4.320 -0.001 0.000 0.201 51 A C 0.735 178.309 177.584 -0.016 0.000 1.318 51 A CA 0.225 52.261 52.037 -0.002 0.000 0.857 51 A CB 0.375 19.380 19.000 0.008 0.000 0.939 51 A HN 0.743 nan 8.150 nan 0.000 0.476 52 Q N -0.933 118.885 119.800 0.030 0.000 2.416 52 Q HA 0.400 4.740 4.340 -0.001 0.000 0.281 52 Q C -1.718 174.382 176.000 0.168 0.000 1.067 52 Q CA -0.536 55.283 55.803 0.027 0.000 0.809 52 Q CB 2.039 30.797 28.738 0.032 0.000 1.418 52 Q HN 0.672 nan 8.270 nan 0.000 0.411 53 H N 2.218 121.283 119.070 -0.008 0.000 2.597 53 H HA 0.238 4.794 4.556 -0.001 0.000 0.303 53 H C 0.581 175.911 175.328 0.002 0.000 1.057 53 H CA -0.381 55.664 56.048 -0.004 0.000 1.261 53 H CB 1.058 30.808 29.762 -0.018 0.000 1.397 53 H HN 0.434 nan 8.280 nan 0.000 0.461 54 L N 2.752 124.051 121.223 0.126 0.000 2.313 54 L HA 0.157 4.496 4.340 -0.001 0.000 0.214 54 L C 1.199 178.105 176.870 0.061 0.000 1.119 54 L CA 0.623 55.508 54.840 0.075 0.000 0.809 54 L CB -0.118 41.978 42.059 0.061 0.000 0.933 54 L HN 0.898 nan 8.230 nan 0.000 0.449 55 G N -0.091 108.742 108.800 0.056 0.000 2.555 55 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 55 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 55 G C -0.118 174.796 174.900 0.024 0.000 1.275 55 G CA -0.528 44.593 45.100 0.035 0.000 0.871 55 G HN 0.211 nan 8.290 nan 0.000 0.603 56 E N 0.095 120.307 120.200 0.020 0.000 2.269 56 E HA -0.235 4.114 4.350 -0.001 0.000 0.223 56 E C 0.981 177.580 176.600 -0.002 0.000 1.244 56 E CA 0.913 57.333 56.400 0.033 0.000 0.713 56 E CB -0.923 28.815 29.700 0.064 0.000 1.178 56 E HN 0.988 nan 8.360 nan 0.000 0.370 57 N N -1.406 117.243 118.700 -0.084 0.000 2.678 57 N HA -0.182 4.557 4.740 -0.001 0.000 0.250 57 N C -0.530 174.814 175.510 -0.278 0.000 1.136 57 N CA 1.914 54.829 53.050 -0.224 0.000 0.757 57 N CB -1.016 37.276 38.487 -0.325 0.000 1.135 57 N HN 0.301 nan 8.380 nan 0.000 0.565 58 T N 0.023 114.522 114.554 -0.092 0.000 2.902 58 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 58 T C 0.484 175.202 174.700 0.029 0.000 1.009 58 T CA -0.572 61.533 62.100 0.009 0.000 1.051 58 T CB 2.436 71.355 68.868 0.085 0.000 0.999 58 T HN 0.134 nan 8.240 nan 0.000 0.474 59 V N 1.419 121.388 119.914 0.092 0.000 2.864 59 V HA 0.779 4.899 4.120 -0.001 0.000 0.314 59 V C -0.545 175.621 176.094 0.120 0.000 1.073 59 V CA -1.424 60.948 62.300 0.121 0.000 0.956 59 V CB 1.865 33.771 31.823 0.138 0.000 1.023 59 V HN 0.823 nan 8.190 nan 0.000 0.435 60 R N 2.198 122.766 120.500 0.112 0.000 2.294 60 R HA 0.719 5.059 4.340 -0.001 0.000 0.319 60 R C -0.154 176.191 176.300 0.074 0.000 0.984 60 R CA 0.331 56.478 56.100 0.079 0.000 0.861 60 R CB 1.387 31.722 30.300 0.059 0.000 1.104 60 R HN 1.176 nan 8.270 nan 0.000 0.451 61 T N 2.179 116.772 114.554 0.065 0.000 2.924 61 T HA 0.528 4.878 4.350 -0.001 0.000 0.291 61 T C 0.236 174.960 174.700 0.040 0.000 1.045 61 T CA -1.034 61.101 62.100 0.058 0.000 1.015 61 T CB 1.098 70.008 68.868 0.071 0.000 1.103 61 T HN 0.574 nan 8.240 nan 0.000 0.496 62 I N 0.359 120.951 120.570 0.036 0.000 2.336 62 I HA 0.791 4.961 4.170 -0.001 0.000 0.292 62 I C 0.380 176.515 176.117 0.030 0.000 0.991 62 I CA -1.342 59.975 61.300 0.027 0.000 1.227 62 I CB 1.025 39.038 38.000 0.021 0.000 1.366 62 I HN 0.877 nan 8.210 nan 0.000 0.466 63 A N 6.681 129.515 122.820 0.024 0.000 2.386 63 A HA 0.435 4.755 4.320 -0.001 0.000 0.248 63 A C 0.800 178.398 177.584 0.023 0.000 1.082 63 A CA -0.352 51.699 52.037 0.023 0.000 0.789 63 A CB 0.570 19.581 19.000 0.017 0.000 1.025 63 A HN 0.909 nan 8.150 nan 0.000 0.490 64 M N 0.066 119.681 119.600 0.024 0.000 2.414 64 M HA 0.197 4.676 4.480 -0.001 0.000 0.251 64 M C -0.164 176.147 176.300 0.019 0.000 1.116 64 M CA 0.551 55.865 55.300 0.023 0.000 1.056 64 M CB -0.612 32.005 32.600 0.027 0.000 1.388 64 M HN 0.801 nan 8.290 nan 0.000 0.487 65 D N -0.917 119.492 120.400 0.016 0.000 2.636 65 D HA 0.534 5.173 4.640 -0.001 0.000 0.275 65 D C -0.322 175.983 176.300 0.009 0.000 1.130 65 D CA -0.171 53.837 54.000 0.012 0.000 1.031 65 D CB 1.467 42.274 40.800 0.012 0.000 1.451 65 D HN 0.105 nan 8.370 nan 0.000 0.505 66 G N -1.052 107.752 108.800 0.007 0.000 2.559 66 G HA2 0.322 4.281 3.960 -0.001 0.000 0.235 66 G HA3 0.322 4.281 3.960 -0.001 0.000 0.235 66 G C 0.655 175.558 174.900 0.005 0.000 1.266 66 G CA 0.555 45.658 45.100 0.004 0.000 0.847 66 G HN 0.417 nan 8.290 nan 0.000 0.583 67 T N -1.589 112.967 114.554 0.003 0.000 3.215 67 T HA 0.208 4.558 4.350 -0.001 0.000 0.271 67 T C 0.499 175.199 174.700 0.001 0.000 1.012 67 T CA -0.268 61.833 62.100 0.003 0.000 0.899 67 T CB -0.003 68.867 68.868 0.004 0.000 1.089 67 T HN 0.633 nan 8.240 nan 0.000 0.552 68 E N 1.284 121.484 120.200 0.000 0.000 2.366 68 E HA 0.375 4.724 4.350 -0.001 0.000 0.266 68 E C 1.075 177.674 176.600 -0.002 0.000 1.015 68 E CA 0.407 56.806 56.400 -0.001 0.000 0.906 68 E CB 0.445 30.145 29.700 -0.001 0.000 0.979 68 E HN 0.497 nan 8.360 nan 0.000 0.443 69 G N 3.017 111.815 108.800 -0.003 0.000 2.194 69 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.236 69 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.236 69 G C 0.269 175.166 174.900 -0.005 0.000 0.987 69 G CA 0.007 45.104 45.100 -0.004 0.000 0.635 69 G HN 0.501 nan 8.290 nan 0.000 0.520 70 L N 0.904 122.125 121.223 -0.005 0.000 2.483 70 L HA 0.408 4.748 4.340 -0.001 0.000 0.276 70 L C 0.616 177.481 176.870 -0.010 0.000 1.213 70 L CA 0.019 54.855 54.840 -0.007 0.000 0.843 70 L CB 1.038 43.094 42.059 -0.005 0.000 1.107 70 L HN 0.025 nan 8.230 nan 0.000 0.487 71 V N 3.727 123.633 119.914 -0.013 0.000 2.604 71 V HA 0.345 4.465 4.120 -0.001 0.000 0.305 71 V C 0.139 176.219 176.094 -0.022 0.000 1.043 71 V CA -0.939 61.351 62.300 -0.016 0.000 0.888 71 V CB 1.766 33.579 31.823 -0.017 0.000 0.995 71 V HN 0.660 nan 8.190 nan 0.000 0.429 72 R N 2.618 123.104 120.500 -0.024 0.000 2.486 72 R HA 0.347 4.687 4.340 -0.001 0.000 0.303 72 R C 1.273 177.549 176.300 -0.039 0.000 0.958 72 R CA 1.201 57.282 56.100 -0.031 0.000 1.077 72 R CB -0.071 30.212 30.300 -0.030 0.000 0.921 72 R HN 1.216 nan 8.270 nan 0.000 0.406 73 G N 2.256 111.027 108.800 -0.049 0.000 2.201 73 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.212 73 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.212 73 G C 0.081 174.949 174.900 -0.054 0.000 0.994 73 G CA -0.084 44.982 45.100 -0.058 0.000 0.644 73 G HN 0.610 nan 8.290 nan 0.000 0.508 74 E N 1.202 121.375 120.200 -0.045 0.000 2.442 74 E HA 0.326 4.676 4.350 -0.001 0.000 0.262 74 E C 0.780 177.348 176.600 -0.052 0.000 1.004 74 E CA -0.175 56.201 56.400 -0.039 0.000 0.928 74 E CB 0.324 30.006 29.700 -0.029 0.000 0.937 74 E HN 0.353 nan 8.360 nan 0.000 0.446 75 K N 3.661 124.035 120.400 -0.043 0.000 2.412 75 K HA 0.097 4.416 4.320 -0.001 0.000 0.284 75 K C -1.183 175.394 176.600 -0.038 0.000 1.046 75 K CA -0.409 55.851 56.287 -0.046 0.000 0.999 75 K CB 0.414 32.899 32.500 -0.026 0.000 0.941 75 K HN 0.265 nan 8.250 nan 0.000 0.474 76 V N 5.647 125.523 119.914 -0.063 0.000 2.532 76 V HA 0.362 4.481 4.120 -0.001 0.000 0.295 76 V C -0.334 175.782 176.094 0.037 0.000 1.041 76 V CA -1.082 61.206 62.300 -0.019 0.000 0.926 76 V CB 1.277 33.075 31.823 -0.043 0.000 0.992 76 V HN 0.726 nan 8.190 nan 0.000 0.457 77 L N 2.834 124.106 121.223 0.081 0.000 2.334 77 L HA 0.700 5.039 4.340 -0.001 0.000 0.276 77 L C -0.498 176.463 176.870 0.152 0.000 1.014 77 L CA -0.055 54.853 54.840 0.112 0.000 0.815 77 L CB 1.725 43.824 42.059 0.065 0.000 1.268 77 L HN 0.740 nan 8.230 nan 0.000 0.428 78 D N 1.216 121.715 120.400 0.165 0.000 2.264 78 D HA 0.227 4.867 4.640 -0.001 0.000 0.250 78 D C 0.897 177.224 176.300 0.045 0.000 1.113 78 D CA 0.370 54.425 54.000 0.091 0.000 0.871 78 D CB 1.585 42.389 40.800 0.007 0.000 1.167 78 D HN 0.732 nan 8.370 nan 0.000 0.447 79 T N 0.667 115.240 114.554 0.031 0.000 3.081 79 T HA 0.224 4.573 4.350 -0.001 0.000 0.255 79 T C 1.470 176.173 174.700 0.006 0.000 1.113 79 T CA 0.332 62.444 62.100 0.020 0.000 1.082 79 T CB -0.237 68.644 68.868 0.021 0.000 0.939 79 T HN 0.741 nan 8.240 nan 0.000 0.506 80 G N 0.176 108.972 108.800 -0.006 0.000 2.198 80 G HA2 0.270 4.229 3.960 -0.001 0.000 0.257 80 G HA3 0.270 4.229 3.960 -0.001 0.000 0.257 80 G C 0.371 175.264 174.900 -0.010 0.000 1.042 80 G CA -0.268 44.821 45.100 -0.017 0.000 0.791 80 G HN 1.534 nan 8.290 nan 0.000 0.502 81 G N -1.757 107.041 108.800 -0.003 0.000 2.338 81 G HA2 0.670 4.629 3.960 -0.001 0.000 0.295 81 G HA3 0.670 4.629 3.960 -0.001 0.000 0.295 81 G C -3.193 171.723 174.900 0.026 0.000 1.461 81 G CA -0.061 45.044 45.100 0.008 0.000 0.817 81 G HN 0.255 nan 8.290 nan 0.000 0.556 82 P HA 0.300 nan 4.420 nan 0.000 0.271 82 P C 0.412 177.755 177.300 0.072 0.000 1.244 82 P CA -0.368 62.793 63.100 0.101 0.000 0.793 82 P CB 0.445 32.246 31.700 0.169 0.000 0.984 83 I N -0.003 120.616 120.570 0.082 0.000 2.775 83 I HA -0.021 4.148 4.170 -0.001 0.000 0.290 83 I C 0.973 177.094 176.117 0.007 0.000 1.203 83 I CA 0.870 62.191 61.300 0.035 0.000 1.433 83 I CB -0.175 37.841 38.000 0.026 0.000 1.354 83 I HN 0.339 nan 8.210 nan 0.000 0.579 84 S N 5.942 121.638 115.700 -0.008 0.000 2.568 84 S HA 0.847 5.316 4.470 -0.001 0.000 0.302 84 S C -0.550 174.024 174.600 -0.043 0.000 1.082 84 S CA -0.787 57.396 58.200 -0.028 0.000 1.009 84 S CB 2.122 65.306 63.200 -0.028 0.000 1.069 84 S HN 0.582 nan 8.310 nan 0.000 0.500 85 V N -1.836 118.040 119.914 -0.064 0.000 2.876 85 V HA 0.792 4.912 4.120 -0.001 0.000 0.312 85 V C -3.013 173.015 176.094 -0.110 0.000 1.085 85 V CA -2.863 59.392 62.300 -0.075 0.000 0.945 85 V CB 1.533 33.313 31.823 -0.071 0.000 1.017 85 V HN 0.821 nan 8.190 nan 0.000 0.428 86 P HA 0.284 nan 4.420 nan 0.000 0.268 86 P C -0.220 176.960 177.300 -0.201 0.000 1.205 86 P CA 0.246 63.258 63.100 -0.147 0.000 0.771 86 P CB 1.373 33.009 31.700 -0.107 0.000 0.858 87 V N -0.894 118.825 119.914 -0.324 0.000 3.181 87 V HA 0.967 5.086 4.120 -0.001 0.000 0.314 87 V C 0.293 176.082 176.094 -0.509 0.000 1.173 87 V CA -0.161 61.850 62.300 -0.481 0.000 1.052 87 V CB 0.816 32.153 31.823 -0.809 0.000 1.123 87 V HN 0.988 nan 8.190 nan 0.000 0.454 88 G N 0.834 109.280 108.800 -0.589 0.000 2.760 88 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.246 88 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.246 88 G C 0.135 174.977 174.900 -0.097 0.000 1.359 88 G CA 0.390 45.305 45.100 -0.309 0.000 0.861 88 G HN 1.077 nan 8.290 nan 0.000 0.541 89 R N 0.157 120.709 120.500 0.088 0.000 2.193 89 R HA -0.018 4.322 4.340 -0.001 0.000 0.229 89 R C 2.242 178.539 176.300 -0.005 0.000 1.110 89 R CA 1.462 57.614 56.100 0.086 0.000 0.988 89 R CB -0.126 30.216 30.300 0.071 0.000 0.871 89 R HN 0.565 nan 8.270 nan 0.000 0.458 90 E N -0.038 120.151 120.200 -0.018 0.000 2.333 90 E HA -0.139 4.211 4.350 -0.001 0.000 0.198 90 E C 1.751 178.332 176.600 -0.031 0.000 1.007 90 E CA 1.703 58.085 56.400 -0.031 0.000 0.845 90 E CB 0.065 29.739 29.700 -0.043 0.000 0.766 90 E HN 0.519 nan 8.360 nan 0.000 0.507 91 T N -1.410 113.129 114.554 -0.024 0.000 3.014 91 T HA 0.042 4.392 4.350 -0.001 0.000 0.263 91 T C 1.324 176.021 174.700 -0.004 0.000 1.078 91 T CA -0.133 61.959 62.100 -0.014 0.000 1.135 91 T CB -0.221 68.645 68.868 -0.003 0.000 0.895 91 T HN -0.049 nan 8.240 nan 0.000 0.480 92 L N 2.269 123.480 121.223 -0.021 0.000 2.578 92 L HA 0.324 4.663 4.340 -0.001 0.000 0.279 92 L C 1.733 178.587 176.870 -0.027 0.000 1.227 92 L CA 1.155 55.955 54.840 -0.067 0.000 0.900 92 L CB -0.222 41.708 42.059 -0.214 0.000 1.144 92 L HN 0.618 nan 8.230 nan 0.000 0.496 93 G N 1.744 110.547 108.800 0.005 0.000 2.179 93 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.260 93 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.260 93 G C 0.312 175.261 174.900 0.081 0.000 0.977 93 G CA -0.356 44.774 45.100 0.049 0.000 0.641 93 G HN 0.467 nan 8.290 nan 0.000 0.533 94 R N -0.094 120.424 120.500 0.030 0.000 2.668 94 R HA 0.725 5.064 4.340 -0.001 0.000 0.279 94 R C 0.308 176.576 176.300 -0.052 0.000 0.976 94 R CA -0.971 55.131 56.100 0.003 0.000 0.978 94 R CB 0.940 31.232 30.300 -0.014 0.000 1.133 94 R HN 0.300 nan 8.270 nan 0.000 0.484 95 I N 3.047 123.555 120.570 -0.104 0.000 2.359 95 I HA 0.413 4.582 4.170 -0.001 0.000 0.294 95 I C -0.007 176.056 176.117 -0.090 0.000 0.987 95 I CA -0.547 60.662 61.300 -0.152 0.000 1.225 95 I CB 1.002 38.875 38.000 -0.210 0.000 1.366 95 I HN 0.293 nan 8.210 nan 0.000 0.466 96 I N 5.755 126.271 120.570 -0.090 0.000 2.533 96 I HA 0.289 4.459 4.170 -0.001 0.000 0.290 96 I C -0.255 175.851 176.117 -0.019 0.000 1.056 96 I CA -0.697 60.573 61.300 -0.050 0.000 1.057 96 I CB 1.798 39.765 38.000 -0.056 0.000 1.240 96 I HN 0.610 nan 8.210 nan 0.000 0.423 97 N N 4.996 123.700 118.700 0.007 0.000 2.431 97 N HA 0.162 4.901 4.740 -0.001 0.000 0.289 97 N C 0.793 176.314 175.510 0.017 0.000 1.277 97 N CA -0.685 52.385 53.050 0.033 0.000 0.972 97 N CB 0.270 38.779 38.487 0.035 0.000 1.143 97 N HN 0.362 nan 8.380 nan 0.000 0.578 98 V N -0.293 119.638 119.914 0.027 0.000 2.343 98 V HA -0.133 3.987 4.120 -0.001 0.000 0.247 98 V C 1.638 177.734 176.094 0.003 0.000 1.051 98 V CA 1.806 64.116 62.300 0.017 0.000 1.036 98 V CB -0.828 31.012 31.823 0.027 0.000 0.654 98 V HN 0.650 nan 8.190 nan 0.000 0.451 99 I N -1.389 119.185 120.570 0.006 0.000 3.686 99 I HA 0.438 4.607 4.170 -0.001 0.000 0.308 99 I C 1.402 177.514 176.117 -0.009 0.000 1.254 99 I CA 0.646 61.947 61.300 0.001 0.000 1.175 99 I CB -0.877 37.128 38.000 0.008 0.000 1.009 99 I HN 0.370 nan 8.210 nan 0.000 0.459 100 G N 1.064 109.855 108.800 -0.015 0.000 2.168 100 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.263 100 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.263 100 G C -0.012 174.873 174.900 -0.025 0.000 0.977 100 G CA 0.194 45.277 45.100 -0.027 0.000 0.659 100 G HN 0.662 nan 8.290 nan 0.000 0.533 101 E N 1.601 121.791 120.200 -0.015 0.000 2.366 101 E HA 0.351 4.700 4.350 -0.001 0.000 0.266 101 E C -1.996 174.594 176.600 -0.017 0.000 1.051 101 E CA -1.555 54.836 56.400 -0.014 0.000 0.884 101 E CB 1.071 30.768 29.700 -0.006 0.000 1.006 101 E HN 0.221 nan 8.360 nan 0.000 0.417 102 P HA 0.033 nan 4.420 nan 0.000 0.276 102 P C 0.004 177.293 177.300 -0.018 0.000 1.230 102 P CA 0.351 63.437 63.100 -0.023 0.000 0.776 102 P CB 0.389 32.077 31.700 -0.020 0.000 0.888 103 I N -0.551 120.004 120.570 -0.025 0.000 3.833 103 I HA 0.284 4.453 4.170 -0.001 0.000 0.328 103 I C -0.065 176.027 176.117 -0.041 0.000 1.554 103 I CA -0.302 60.986 61.300 -0.020 0.000 1.116 103 I CB 0.070 38.071 38.000 0.001 0.000 1.182 103 I HN 0.043 nan 8.210 nan 0.000 0.459 104 D N 0.262 120.632 120.400 -0.050 0.000 2.501 104 D HA 0.058 4.698 4.640 -0.001 0.000 0.224 104 D C 0.350 176.647 176.300 -0.004 0.000 1.202 104 D CA -0.279 53.682 54.000 -0.064 0.000 0.829 104 D CB -0.082 40.652 40.800 -0.110 0.000 1.023 104 D HN 0.446 nan 8.370 nan 0.000 0.499 105 E N 0.181 120.381 120.200 -0.000 0.000 2.539 105 E HA -0.249 4.100 4.350 -0.001 0.000 0.253 105 E C 0.039 176.650 176.600 0.019 0.000 1.145 105 E CA 0.324 56.731 56.400 0.012 0.000 0.738 105 E CB -0.944 28.767 29.700 0.019 0.000 1.308 105 E HN 0.477 nan 8.360 nan 0.000 0.409 106 R N -0.050 120.460 120.500 0.017 0.000 2.586 106 R HA 0.291 4.630 4.340 -0.001 0.000 0.336 106 R C 0.964 177.270 176.300 0.010 0.000 1.060 106 R CA 0.267 56.379 56.100 0.020 0.000 1.079 106 R CB 1.020 31.338 30.300 0.031 0.000 1.317 106 R HN 0.289 nan 8.270 nan 0.000 0.568 107 G N 2.806 111.609 108.800 0.005 0.000 2.645 107 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.239 107 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.239 107 G C -2.549 172.348 174.900 -0.004 0.000 1.331 107 G CA -0.895 44.206 45.100 0.001 0.000 0.890 107 G HN 0.175 nan 8.290 nan 0.000 0.572 108 P HA 0.530 nan 4.420 nan 0.000 0.282 108 P C -0.132 177.158 177.300 -0.017 0.000 1.249 108 P CA -0.528 62.565 63.100 -0.013 0.000 0.806 108 P CB 0.747 32.440 31.700 -0.013 0.000 0.984 109 I N 2.770 123.326 120.570 -0.024 0.000 2.372 109 I HA 0.052 4.222 4.170 -0.001 0.000 0.298 109 I C 1.315 177.410 176.117 -0.037 0.000 1.137 109 I CA 0.356 61.638 61.300 -0.031 0.000 1.314 109 I CB -0.578 37.397 38.000 -0.042 0.000 1.444 109 I HN 0.034 nan 8.210 nan 0.000 0.541 110 K N 4.851 125.233 120.400 -0.029 0.000 2.408 110 K HA 0.073 4.392 4.320 -0.001 0.000 0.231 110 K C 0.521 177.097 176.600 -0.040 0.000 1.261 110 K CA -0.071 56.199 56.287 -0.029 0.000 1.193 110 K CB -0.065 32.423 32.500 -0.019 0.000 1.431 110 K HN 0.654 nan 8.250 nan 0.000 0.243 111 S N 0.512 116.177 115.700 -0.059 0.000 2.672 111 S HA 0.175 4.644 4.470 -0.001 0.000 0.276 111 S C 1.189 175.735 174.600 -0.090 0.000 1.207 111 S CA -0.615 57.533 58.200 -0.085 0.000 1.002 111 S CB 1.836 64.963 63.200 -0.122 0.000 0.998 111 S HN 0.456 nan 8.310 nan 0.000 0.542 112 K N 0.761 121.095 120.400 -0.110 0.000 1.984 112 K HA 0.181 4.500 4.320 -0.001 0.000 0.209 112 K C 0.034 176.568 176.600 -0.110 0.000 1.046 112 K CA 1.267 57.500 56.287 -0.089 0.000 0.934 112 K CB -0.198 32.264 32.500 -0.063 0.000 0.717 112 K HN 0.689 nan 8.250 nan 0.000 0.438 113 L N -0.908 120.200 121.223 -0.190 0.000 2.277 113 L HA 0.522 4.861 4.340 -0.001 0.000 0.254 113 L C -0.810 175.936 176.870 -0.207 0.000 1.044 113 L CA -1.306 53.431 54.840 -0.172 0.000 0.842 113 L CB 1.954 43.916 42.059 -0.163 0.000 1.422 113 L HN -0.181 nan 8.230 nan 0.000 0.422 114 R N 0.732 121.142 120.500 -0.150 0.000 2.513 114 R HA 0.525 4.864 4.340 -0.001 0.000 0.301 114 R C -1.211 175.022 176.300 -0.111 0.000 0.968 114 R CA -0.984 55.034 56.100 -0.137 0.000 0.872 114 R CB 2.129 32.375 30.300 -0.090 0.000 1.177 114 R HN 0.368 nan 8.270 nan 0.000 0.444 115 K N 3.003 123.332 120.400 -0.118 0.000 2.123 115 K HA 0.444 4.764 4.320 -0.001 0.000 0.248 115 K C -2.368 174.205 176.600 -0.046 0.000 0.969 115 K CA -2.035 54.212 56.287 -0.068 0.000 0.882 115 K CB 1.534 34.000 32.500 -0.057 0.000 1.080 115 K HN 0.335 nan 8.250 nan 0.000 0.441 116 P HA 0.157 nan 4.420 nan 0.000 0.277 116 P C 0.895 178.182 177.300 -0.022 0.000 1.240 116 P CA -0.343 62.755 63.100 -0.003 0.000 0.798 116 P CB 0.484 32.202 31.700 0.029 0.000 0.979 117 I N -1.241 119.296 120.570 -0.055 0.000 2.676 117 I HA 0.013 4.183 4.170 -0.001 0.000 0.259 117 I C 0.503 176.489 176.117 -0.218 0.000 1.194 117 I CA 0.783 61.995 61.300 -0.148 0.000 1.473 117 I CB -0.692 37.185 38.000 -0.205 0.000 1.096 117 I HN 0.216 nan 8.210 nan 0.000 0.443 118 H N 2.887 121.960 119.070 0.004 0.000 2.652 118 H HA 0.716 5.272 4.556 -0.001 0.000 0.298 118 H C -0.481 174.849 175.328 0.003 0.000 1.076 118 H CA -0.168 55.883 56.048 0.006 0.000 1.360 118 H CB 1.268 31.034 29.762 0.007 0.000 1.421 118 H HN 0.417 nan 8.280 nan 0.000 0.464 119 A N 3.583 126.460 122.820 0.095 0.000 2.449 119 A HA 0.265 4.584 4.320 -0.001 0.000 0.302 119 A C -0.547 177.068 177.584 0.052 0.000 1.048 119 A CA -0.936 51.136 52.037 0.058 0.000 0.708 119 A CB 1.367 20.384 19.000 0.028 0.000 1.274 119 A HN 0.521 nan 8.150 nan 0.000 0.410 120 D N 2.727 123.152 120.400 0.041 0.000 2.493 120 D HA 0.341 4.980 4.640 -0.001 0.000 0.240 120 D C -1.924 174.392 176.300 0.028 0.000 1.142 120 D CA 0.058 54.078 54.000 0.034 0.000 0.872 120 D CB 0.515 41.332 40.800 0.028 0.000 1.173 120 D HN 0.245 nan 8.370 nan 0.000 0.467 121 P HA 0.165 nan 4.420 nan 0.000 0.271 121 P C -2.490 174.823 177.300 0.023 0.000 1.233 121 P CA -0.925 62.188 63.100 0.021 0.000 0.789 121 P CB -0.240 31.477 31.700 0.028 0.000 0.951 122 P HA 0.035 nan 4.420 nan 0.000 0.269 122 P C 0.061 177.378 177.300 0.029 0.000 1.209 122 P CA 0.057 63.164 63.100 0.012 0.000 0.776 122 P CB 0.242 31.939 31.700 -0.006 0.000 0.876 123 S N 2.436 118.156 115.700 0.034 0.000 2.576 123 S HA -0.001 4.468 4.470 -0.001 0.000 0.272 123 S C 1.032 175.684 174.600 0.086 0.000 1.352 123 S CA -0.373 57.869 58.200 0.070 0.000 1.021 123 S CB -0.249 62.988 63.200 0.063 0.000 0.887 123 S HN 0.420 nan 8.310 nan 0.000 0.542 124 F N 3.442 123.394 119.950 0.003 0.000 2.161 124 F HA -0.038 4.489 4.527 -0.001 0.000 0.300 124 F C 2.223 178.023 175.800 0.000 0.000 1.089 124 F CA 1.953 59.955 58.000 0.002 0.000 1.282 124 F CB -0.842 38.160 39.000 0.003 0.000 1.010 124 F HN 0.720 nan 8.300 nan 0.000 0.485 125 A N -0.164 122.711 122.820 0.093 0.000 1.969 125 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 125 A C 2.048 179.584 177.584 -0.080 0.000 1.169 125 A CA 1.662 53.698 52.037 -0.001 0.000 0.635 125 A CB -0.790 18.256 19.000 0.075 0.000 0.810 125 A HN 0.543 nan 8.150 nan 0.000 0.445 126 E N -0.003 120.164 120.200 -0.055 0.000 2.418 126 E HA -0.061 4.289 4.350 -0.001 0.000 0.197 126 E C 0.177 176.717 176.600 -0.099 0.000 1.026 126 E CA 0.075 56.440 56.400 -0.059 0.000 0.862 126 E CB 0.066 29.749 29.700 -0.027 0.000 0.799 126 E HN 0.543 nan 8.360 nan 0.000 0.518 127 Q N 0.843 120.541 119.800 -0.169 0.000 2.332 127 Q HA 0.072 4.412 4.340 -0.001 0.000 0.263 127 Q C -0.076 175.814 176.000 -0.183 0.000 0.979 127 Q CA 0.066 55.755 55.803 -0.189 0.000 0.885 127 Q CB 1.569 30.138 28.738 -0.281 0.000 1.218 127 Q HN 0.016 nan 8.270 nan 0.000 0.405 128 S N 0.978 116.603 115.700 -0.125 0.000 2.576 128 S HA 0.118 4.587 4.470 -0.001 0.000 0.276 128 S C 1.049 175.582 174.600 -0.112 0.000 1.339 128 S CA 0.205 58.344 58.200 -0.102 0.000 1.039 128 S CB 0.558 63.715 63.200 -0.072 0.000 0.902 128 S HN 0.690 nan 8.310 nan 0.000 0.516 129 T N 0.679 115.176 114.554 -0.094 0.000 3.022 129 T HA 0.300 4.649 4.350 -0.001 0.000 0.250 129 T C 0.271 174.939 174.700 -0.054 0.000 1.060 129 T CA -0.239 61.810 62.100 -0.085 0.000 1.013 129 T CB 0.021 68.841 68.868 -0.080 0.000 0.982 129 T HN 0.363 nan 8.240 nan 0.000 0.508 130 S N 1.629 117.301 115.700 -0.047 0.000 2.478 130 S HA 0.765 5.234 4.470 -0.001 0.000 0.312 130 S C 0.049 174.631 174.600 -0.031 0.000 1.094 130 S CA -0.918 57.261 58.200 -0.034 0.000 1.081 130 S CB 1.402 64.584 63.200 -0.030 0.000 1.007 130 S HN 0.702 nan 8.310 nan 0.000 0.475 131 A N 3.379 126.185 122.820 -0.023 0.000 2.462 131 A HA 0.504 4.823 4.320 -0.001 0.000 0.243 131 A C 0.385 177.959 177.584 -0.016 0.000 1.076 131 A CA -0.171 51.855 52.037 -0.017 0.000 0.773 131 A CB 0.086 19.079 19.000 -0.011 0.000 1.010 131 A HN 0.841 nan 8.150 nan 0.000 0.493 132 E N 1.840 122.033 120.200 -0.012 0.000 2.390 132 E HA 0.480 4.830 4.350 -0.001 0.000 0.277 132 E C -1.381 175.221 176.600 0.004 0.000 0.939 132 E CA -0.980 55.414 56.400 -0.010 0.000 0.769 132 E CB 0.884 30.570 29.700 -0.022 0.000 1.251 132 E HN 0.344 nan 8.360 nan 0.000 0.450 133 I N 2.020 122.598 120.570 0.013 0.000 2.441 133 I HA 0.134 4.303 4.170 -0.001 0.000 0.287 133 I C 0.155 176.292 176.117 0.034 0.000 1.049 133 I CA -0.619 60.705 61.300 0.040 0.000 1.381 133 I CB 0.445 38.477 38.000 0.054 0.000 1.409 133 I HN 0.561 nan 8.210 nan 0.000 0.523 134 L N 6.877 128.142 121.223 0.070 0.000 2.261 134 L HA 0.247 4.586 4.340 -0.001 0.000 0.289 134 L C 0.563 177.513 176.870 0.133 0.000 1.059 134 L CA 0.034 54.927 54.840 0.087 0.000 0.816 134 L CB 0.339 42.470 42.059 0.119 0.000 1.191 134 L HN 0.591 nan 8.230 nan 0.000 0.431 135 E N 2.356 122.670 120.200 0.190 0.000 2.299 135 E HA 0.016 4.365 4.350 -0.001 0.000 0.272 135 E C 0.441 177.107 176.600 0.109 0.000 1.043 135 E CA 0.491 56.989 56.400 0.163 0.000 0.895 135 E CB 0.822 30.637 29.700 0.193 0.000 1.011 135 E HN 0.791 nan 8.360 nan 0.000 0.432 136 T N 1.017 115.544 114.554 -0.044 0.000 3.001 136 T HA 0.249 4.598 4.350 -0.001 0.000 0.251 136 T C 1.402 176.009 174.700 -0.154 0.000 1.040 136 T CA 0.520 62.532 62.100 -0.146 0.000 0.985 136 T CB 0.311 69.014 68.868 -0.274 0.000 1.011 136 T HN 0.708 nan 8.240 nan 0.000 0.509 137 G N 1.928 110.672 108.800 -0.095 0.000 2.212 137 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.266 137 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.266 137 G C 0.092 174.978 174.900 -0.024 0.000 0.978 137 G CA 0.319 45.380 45.100 -0.064 0.000 0.632 137 G HN 0.703 nan 8.290 nan 0.000 0.537 138 I N 1.194 121.740 120.570 -0.040 0.000 2.312 138 I HA 0.218 4.388 4.170 -0.001 0.000 0.291 138 I C 1.659 177.792 176.117 0.027 0.000 1.031 138 I CA -0.640 60.694 61.300 0.057 0.000 1.293 138 I CB 1.117 39.164 38.000 0.079 0.000 1.403 138 I HN 0.001 nan 8.210 nan 0.000 0.484 139 K N 3.933 124.351 120.400 0.031 0.000 2.000 139 K HA -0.183 4.136 4.320 -0.001 0.000 0.218 139 K C 1.843 178.411 176.600 -0.053 0.000 1.053 139 K CA 1.738 58.009 56.287 -0.026 0.000 0.946 139 K CB -0.301 32.173 32.500 -0.044 0.000 0.723 139 K HN 0.582 nan 8.250 nan 0.000 0.446 140 V N 1.035 120.945 119.914 -0.007 0.000 2.317 140 V HA -0.260 3.860 4.120 -0.001 0.000 0.251 140 V C 2.389 178.486 176.094 0.004 0.000 1.065 140 V CA 1.856 64.149 62.300 -0.013 0.000 1.049 140 V CB -0.890 30.970 31.823 0.063 0.000 0.651 140 V HN 0.095 nan 8.190 nan 0.000 0.450 141 V N 0.426 120.363 119.914 0.038 0.000 2.270 141 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 141 V C 2.426 178.501 176.094 -0.031 0.000 1.043 141 V CA 2.387 64.683 62.300 -0.007 0.000 1.014 141 V CB -0.730 31.000 31.823 -0.156 0.000 0.645 141 V HN 0.521 nan 8.190 nan 0.000 0.447 142 D N -0.243 120.131 120.400 -0.043 0.000 2.117 142 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 142 D C 1.953 178.300 176.300 0.077 0.000 0.982 142 D CA 1.174 55.180 54.000 0.010 0.000 0.828 142 D CB -0.235 40.561 40.800 -0.007 0.000 0.967 142 D HN 0.336 nan 8.370 nan 0.000 0.464 143 L N -0.019 121.187 121.223 -0.028 0.000 2.027 143 L HA -0.048 4.291 4.340 -0.001 0.000 0.206 143 L C 1.977 178.872 176.870 0.042 0.000 1.074 143 L CA 1.520 56.326 54.840 -0.057 0.000 0.745 143 L CB -0.119 41.736 42.059 -0.340 0.000 0.898 143 L HN -0.012 nan 8.230 nan 0.000 0.433 144 L N -1.600 119.609 121.223 -0.024 0.000 2.467 144 L HA 0.339 4.678 4.340 -0.001 0.000 0.213 144 L C 1.077 177.958 176.870 0.018 0.000 1.053 144 L CA 0.532 55.355 54.840 -0.028 0.000 0.847 144 L CB -0.044 41.972 42.059 -0.072 0.000 1.075 144 L HN 0.194 nan 8.230 nan 0.000 0.479 145 A N 0.580 123.437 122.820 0.060 0.000 3.129 145 A HA 0.410 4.729 4.320 -0.001 0.000 0.282 145 A C -2.509 175.186 177.584 0.186 0.000 0.948 145 A CA -0.993 51.112 52.037 0.113 0.000 1.027 145 A CB -0.429 18.656 19.000 0.141 0.000 1.123 145 A HN -0.094 nan 8.150 nan 0.000 0.485 146 P HA 0.007 nan 4.420 nan 0.000 0.266 146 P C -0.760 176.718 177.300 0.295 0.000 1.195 146 P CA 0.538 63.731 63.100 0.154 0.000 0.768 146 P CB 0.398 32.154 31.700 0.093 0.000 0.838 147 Y N 0.826 121.160 120.300 0.057 0.000 2.411 147 Y HA 0.298 4.848 4.550 -0.001 0.000 0.333 147 Y C 1.208 177.121 175.900 0.022 0.000 1.186 147 Y CA -1.325 56.800 58.100 0.043 0.000 1.381 147 Y CB -0.119 38.368 38.460 0.046 0.000 1.273 147 Y HN 0.385 nan 8.280 nan 0.000 0.546 148 A N 4.552 127.454 122.820 0.137 0.000 2.289 148 A HA 0.380 4.700 4.320 -0.001 0.000 0.298 148 A C 0.457 178.068 177.584 0.044 0.000 1.208 148 A CA -0.867 51.207 52.037 0.063 0.000 0.845 148 A CB 0.011 19.024 19.000 0.021 0.000 1.125 148 A HN 0.814 nan 8.150 nan 0.000 0.517 149 R N 2.349 122.867 120.500 0.031 0.000 2.446 149 R HA 0.300 4.640 4.340 -0.001 0.000 0.325 149 R C 1.143 177.434 176.300 -0.015 0.000 0.997 149 R CA 1.447 57.550 56.100 0.005 0.000 1.010 149 R CB -0.386 29.901 30.300 -0.021 0.000 0.946 149 R HN 1.679 nan 8.270 nan 0.000 0.422 150 G N 2.500 111.285 108.800 -0.024 0.000 2.175 150 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.244 150 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.244 150 G C 0.322 175.196 174.900 -0.042 0.000 0.982 150 G CA -0.123 44.956 45.100 -0.036 0.000 0.641 150 G HN 0.930 nan 8.290 nan 0.000 0.527 151 G N -0.576 108.198 108.800 -0.043 0.000 2.543 151 G HA2 0.642 4.601 3.960 -0.001 0.000 0.267 151 G HA3 0.642 4.601 3.960 -0.001 0.000 0.267 151 G C -0.386 174.457 174.900 -0.096 0.000 1.406 151 G CA -0.364 44.704 45.100 -0.053 0.000 1.048 151 G HN 0.417 nan 8.290 nan 0.000 0.548 152 K N -0.914 119.423 120.400 -0.104 0.000 2.397 152 K HA 0.573 4.893 4.320 -0.001 0.000 0.253 152 K C -1.264 175.223 176.600 -0.188 0.000 0.932 152 K CA -0.251 55.947 56.287 -0.149 0.000 0.795 152 K CB 2.303 34.736 32.500 -0.112 0.000 1.159 152 K HN 0.213 nan 8.250 nan 0.000 0.424 153 I N 1.610 122.018 120.570 -0.269 0.000 2.406 153 I HA 0.387 4.556 4.170 -0.001 0.000 0.290 153 I C 0.387 176.376 176.117 -0.214 0.000 0.999 153 I CA -0.296 60.812 61.300 -0.320 0.000 1.124 153 I CB 2.125 39.700 38.000 -0.707 0.000 1.289 153 I HN 0.655 nan 8.210 nan 0.000 0.441 154 G N 5.986 114.703 108.800 -0.138 0.000 2.353 154 G HA2 0.532 4.492 3.960 -0.001 0.000 0.284 154 G HA3 0.532 4.492 3.960 -0.001 0.000 0.284 154 G C -1.190 173.697 174.900 -0.022 0.000 1.172 154 G CA -0.260 44.748 45.100 -0.153 0.000 0.854 154 G HN 0.423 nan 8.290 nan 0.000 0.485 155 L N 2.471 123.598 121.223 -0.161 0.000 2.333 155 L HA 0.797 5.137 4.340 -0.001 0.000 0.280 155 L C -1.452 175.319 176.870 -0.164 0.000 1.004 155 L CA -1.343 53.496 54.840 -0.001 0.000 0.820 155 L CB 1.040 43.140 42.059 0.069 0.000 1.247 155 L HN 0.360 nan 8.230 nan 0.000 0.416 156 F N 2.993 122.947 119.950 0.008 0.000 2.538 156 F HA 0.879 5.406 4.527 -0.000 0.000 0.325 156 F C 0.819 176.630 175.800 0.018 0.000 1.066 156 F CA -0.207 57.807 58.000 0.023 0.000 0.946 156 F CB 2.064 41.078 39.000 0.023 0.000 1.199 156 F HN 0.765 nan 8.300 nan 0.000 0.473 157 G N 0.495 109.423 108.800 0.214 0.000 2.697 157 G HA2 0.383 4.342 3.960 -0.001 0.000 0.686 157 G HA3 0.383 4.342 3.960 -0.001 0.000 0.686 157 G C -0.284 174.682 174.900 0.111 0.000 1.179 157 G CA -0.612 44.570 45.100 0.138 0.000 0.765 157 G HN 1.146 nan 8.290 nan 0.000 0.649 158 G N 0.273 109.135 108.800 0.103 0.000 3.365 158 G HA2 0.922 4.882 3.960 -0.001 0.000 0.185 158 G HA3 0.922 4.882 3.960 -0.001 0.000 0.185 158 G C 0.950 175.901 174.900 0.085 0.000 1.565 158 G CA 0.791 45.949 45.100 0.096 0.000 0.984 158 G HN 2.196 nan 8.290 nan 0.000 0.604 159 A N -1.966 120.897 122.820 0.073 0.000 2.327 159 A HA 0.529 4.848 4.320 -0.001 0.000 0.255 159 A C 1.488 179.112 177.584 0.066 0.000 1.099 159 A CA 1.109 53.184 52.037 0.064 0.000 0.801 159 A CB -0.280 18.750 19.000 0.049 0.000 1.062 159 A HN 2.412 nan 8.150 nan 0.000 0.496 160 G N -1.800 107.041 108.800 0.067 0.000 2.179 160 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.260 160 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.260 160 G C 0.574 175.536 174.900 0.102 0.000 0.977 160 G CA 1.016 46.161 45.100 0.075 0.000 0.641 160 G HN 2.179 nan 8.290 nan 0.000 0.533 161 V N -3.162 116.819 119.914 0.112 0.000 3.330 161 V HA 0.682 4.802 4.120 -0.001 0.000 0.309 161 V C 1.521 177.736 176.094 0.201 0.000 1.481 161 V CA 0.729 63.105 62.300 0.126 0.000 1.068 161 V CB 0.101 31.967 31.823 0.071 0.000 0.935 161 V HN 2.135 nan 8.190 nan 0.000 0.453 162 G N 1.759 110.680 108.800 0.202 0.000 2.324 162 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.292 162 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.292 162 G C 0.662 175.701 174.900 0.231 0.000 1.079 162 G CA 0.934 46.163 45.100 0.215 0.000 1.026 162 G HN 0.607 nan 8.290 nan 0.000 0.506 163 K N -0.491 120.013 120.400 0.173 0.000 1.984 163 K HA -0.112 4.208 4.320 -0.001 0.000 0.209 163 K C 2.943 179.671 176.600 0.213 0.000 1.046 163 K CA 2.085 58.487 56.287 0.192 0.000 0.934 163 K CB -0.277 32.312 32.500 0.148 0.000 0.717 163 K HN 0.591 nan 8.250 nan 0.000 0.438 164 T N -1.474 113.156 114.554 0.128 0.000 3.007 164 T HA -0.053 4.296 4.350 -0.001 0.000 0.270 164 T C 1.862 176.590 174.700 0.046 0.000 1.107 164 T CA 0.918 63.052 62.100 0.057 0.000 1.118 164 T CB -0.114 68.755 68.868 0.001 0.000 0.889 164 T HN -0.032 nan 8.240 nan 0.000 0.506 165 V N 0.240 120.221 119.914 0.111 0.000 2.446 165 V HA 0.083 4.202 4.120 -0.001 0.000 0.244 165 V C 2.047 178.207 176.094 0.110 0.000 1.039 165 V CA 1.118 63.490 62.300 0.121 0.000 1.045 165 V CB -0.754 31.177 31.823 0.180 0.000 0.681 165 V HN 0.455 nan 8.190 nan 0.000 0.459 166 F N 0.794 120.798 119.950 0.090 0.000 2.095 166 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 166 F C 2.080 177.867 175.800 -0.022 0.000 1.104 166 F CA 1.986 60.015 58.000 0.049 0.000 1.232 166 F CB -0.185 38.927 39.000 0.187 0.000 0.987 166 F HN 0.064 nan 8.300 nan 0.000 0.475 167 I N -0.105 120.566 120.570 0.169 0.000 2.286 167 I HA -0.318 3.851 4.170 -0.001 0.000 0.248 167 I C 2.357 178.325 176.117 -0.249 0.000 1.115 167 I CA 1.436 62.705 61.300 -0.052 0.000 1.392 167 I CB -0.549 37.393 38.000 -0.097 0.000 1.065 167 I HN 0.242 nan 8.210 nan 0.000 0.418 168 Q N -0.001 119.690 119.800 -0.181 0.000 2.172 168 Q HA -0.242 4.097 4.340 -0.001 0.000 0.200 168 Q C 2.079 177.958 176.000 -0.201 0.000 0.964 168 Q CA 1.273 56.973 55.803 -0.172 0.000 0.855 168 Q CB 0.029 28.706 28.738 -0.102 0.000 0.918 168 Q HN 0.315 nan 8.270 nan 0.000 0.444 169 E N 0.690 120.691 120.200 -0.331 0.000 2.106 169 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 169 E C 1.622 177.976 176.600 -0.411 0.000 0.984 169 E CA 0.983 57.077 56.400 -0.509 0.000 0.806 169 E CB -0.116 28.892 29.700 -1.154 0.000 0.750 169 E HN 0.296 nan 8.360 nan 0.000 0.458 170 L N -0.068 120.946 121.223 -0.349 0.000 2.093 170 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 170 L C 2.359 179.226 176.870 -0.006 0.000 1.085 170 L CA 0.823 55.566 54.840 -0.160 0.000 0.755 170 L CB -0.331 41.748 42.059 0.033 0.000 0.904 170 L HN 0.196 nan 8.230 nan 0.000 0.435 171 I N -0.052 120.547 120.570 0.048 0.000 2.163 171 I HA -0.329 3.841 4.170 -0.001 0.000 0.243 171 I C 2.323 178.430 176.117 -0.017 0.000 1.085 171 I CA 1.750 63.099 61.300 0.081 0.000 1.347 171 I CB -0.474 37.559 38.000 0.055 0.000 1.044 171 I HN 0.356 nan 8.210 nan 0.000 0.408 172 N N 1.199 119.854 118.700 -0.075 0.000 2.039 172 N HA -0.208 4.531 4.740 -0.001 0.000 0.193 172 N C 1.675 177.113 175.510 -0.121 0.000 1.044 172 N CA 1.904 54.899 53.050 -0.092 0.000 0.847 172 N CB -0.098 38.325 38.487 -0.108 0.000 1.030 172 N HN 0.155 nan 8.380 nan 0.000 0.422 173 N N 0.469 119.072 118.700 -0.162 0.000 2.025 173 N HA -0.128 4.612 4.740 -0.001 0.000 0.194 173 N C 1.632 176.997 175.510 -0.241 0.000 1.044 173 N CA 1.045 53.976 53.050 -0.197 0.000 0.851 173 N CB -0.576 37.777 38.487 -0.224 0.000 1.036 173 N HN 0.278 nan 8.380 nan 0.000 0.422 174 I N 1.328 121.776 120.570 -0.203 0.000 2.151 174 I HA -0.249 3.920 4.170 -0.001 0.000 0.243 174 I C 2.220 178.224 176.117 -0.187 0.000 1.080 174 I CA 1.012 62.194 61.300 -0.196 0.000 1.339 174 I CB -1.579 36.390 38.000 -0.052 0.000 1.039 174 I HN 0.072 nan 8.210 nan 0.000 0.409 175 A N 0.142 122.868 122.820 -0.157 0.000 1.855 175 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 175 A C 2.404 179.881 177.584 -0.179 0.000 1.191 175 A CA 1.419 53.339 52.037 -0.194 0.000 0.613 175 A CB -0.485 18.426 19.000 -0.148 0.000 0.829 175 A HN 0.217 nan 8.150 nan 0.000 0.442 176 K N -0.418 119.893 120.400 -0.147 0.000 2.057 176 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 176 K C 2.115 178.634 176.600 -0.135 0.000 1.049 176 K CA 1.436 57.649 56.287 -0.123 0.000 0.931 176 K CB -0.371 32.068 32.500 -0.101 0.000 0.714 176 K HN 0.442 nan 8.250 nan 0.000 0.440 177 A N -0.052 122.642 122.820 -0.210 0.000 2.030 177 A HA -0.048 4.271 4.320 -0.001 0.000 0.215 177 A C 1.138 178.631 177.584 -0.153 0.000 1.164 177 A CA 0.811 52.703 52.037 -0.242 0.000 0.697 177 A CB -0.102 18.669 19.000 -0.383 0.000 0.827 177 A HN 0.258 nan 8.150 nan 0.000 0.457 178 H N -1.543 117.473 119.070 -0.090 0.000 3.058 178 H HA 0.299 4.854 4.556 -0.001 0.000 0.266 178 H C 1.251 176.498 175.328 -0.134 0.000 1.135 178 H CA -0.320 55.672 56.048 -0.094 0.000 1.174 178 H CB -0.108 29.605 29.762 -0.082 0.000 1.581 178 H HN 0.514 nan 8.280 nan 0.000 0.553 179 G N 1.396 110.142 108.800 -0.089 0.000 2.338 179 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.296 179 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.296 179 G C 0.499 175.197 174.900 -0.336 0.000 1.040 179 G CA 0.430 45.401 45.100 -0.215 0.000 1.004 179 G HN 0.718 nan 8.290 nan 0.000 0.509 180 G N -0.975 107.635 108.800 -0.317 0.000 2.513 180 G HA2 0.720 4.679 3.960 -0.001 0.000 0.317 180 G HA3 0.720 4.679 3.960 -0.001 0.000 0.317 180 G C -0.247 174.410 174.900 -0.405 0.000 1.277 180 G CA -1.021 43.873 45.100 -0.342 0.000 0.955 180 G HN 0.188 nan 8.290 nan 0.000 0.484 181 F N 0.711 120.500 119.950 -0.269 0.000 2.375 181 F HA 0.622 5.149 4.527 -0.001 0.000 0.313 181 F C 1.082 176.766 175.800 -0.193 0.000 1.176 181 F CA -0.246 57.560 58.000 -0.323 0.000 1.142 181 F CB 1.470 40.041 39.000 -0.715 0.000 1.275 181 F HN 0.300 nan 8.300 nan 0.000 0.544 182 S N -0.343 115.447 115.700 0.149 0.000 2.599 182 S HA 0.771 5.241 4.470 -0.001 0.000 0.294 182 S C -1.269 173.461 174.600 0.215 0.000 1.094 182 S CA -0.832 57.487 58.200 0.197 0.000 0.931 182 S CB 2.193 65.609 63.200 0.360 0.000 1.093 182 S HN 0.272 nan 8.310 nan 0.000 0.488 183 V N 2.290 122.354 119.914 0.249 0.000 2.487 183 V HA 0.496 4.615 4.120 -0.001 0.000 0.298 183 V C -1.303 174.991 176.094 0.333 0.000 1.028 183 V CA -0.620 61.819 62.300 0.231 0.000 0.860 183 V CB 1.211 33.129 31.823 0.158 0.000 0.991 183 V HN 0.840 nan 8.190 nan 0.000 0.427 184 F N 3.528 123.561 119.950 0.137 0.000 2.388 184 F HA 0.588 5.115 4.527 -0.001 0.000 0.358 184 F C 0.505 176.297 175.800 -0.013 0.000 1.122 184 F CA -0.052 58.022 58.000 0.122 0.000 1.056 184 F CB 1.322 40.319 39.000 -0.005 0.000 1.155 184 F HN 0.504 nan 8.300 nan 0.000 0.461 185 T N 4.817 119.243 114.554 -0.213 0.000 2.749 185 T HA 0.454 4.804 4.350 -0.001 0.000 0.287 185 T C 0.310 174.948 174.700 -0.104 0.000 0.970 185 T CA -0.573 61.456 62.100 -0.119 0.000 0.980 185 T CB 1.095 69.900 68.868 -0.105 0.000 0.924 185 T HN 0.820 nan 8.240 nan 0.000 0.456 186 G N 2.215 111.175 108.800 0.266 0.000 2.393 186 G HA2 0.490 4.449 3.960 -0.001 0.000 0.311 186 G HA3 0.490 4.449 3.960 -0.001 0.000 0.311 186 G C -0.400 174.666 174.900 0.277 0.000 1.067 186 G CA -0.385 45.002 45.100 0.479 0.000 1.000 186 G HN 0.659 nan 8.290 nan 0.000 0.422 187 V N 2.859 122.862 119.914 0.149 0.000 2.333 187 V HA 0.572 4.692 4.120 -0.001 0.000 0.274 187 V C 1.205 177.360 176.094 0.101 0.000 1.028 187 V CA 0.597 62.967 62.300 0.117 0.000 0.851 187 V CB 0.733 32.617 31.823 0.102 0.000 1.000 187 V HN 1.340 nan 8.190 nan 0.000 0.456 188 G N 4.075 112.925 108.800 0.083 0.000 2.221 188 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.265 188 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.265 188 G C 0.047 174.973 174.900 0.044 0.000 1.041 188 G CA 0.401 45.530 45.100 0.047 0.000 0.807 188 G HN 0.828 nan 8.290 nan 0.000 0.502 189 E N 0.352 120.588 120.200 0.061 0.000 2.366 189 E HA 0.339 4.688 4.350 -0.001 0.000 0.266 189 E C 1.134 177.696 176.600 -0.063 0.000 1.015 189 E CA -0.348 56.060 56.400 0.013 0.000 0.906 189 E CB 0.276 29.965 29.700 -0.018 0.000 0.979 189 E HN 0.412 nan 8.360 nan 0.000 0.443 190 R N 3.686 124.153 120.500 -0.056 0.000 2.458 190 R HA -0.007 4.332 4.340 -0.001 0.000 0.303 190 R C 0.867 177.087 176.300 -0.134 0.000 1.013 190 R CA 0.404 56.461 56.100 -0.071 0.000 1.026 190 R CB 0.343 30.617 30.300 -0.044 0.000 0.948 190 R HN 0.703 nan 8.270 nan 0.000 0.417 191 T N 2.598 117.076 114.554 -0.126 0.000 2.746 191 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 191 T C 1.775 176.389 174.700 -0.143 0.000 1.039 191 T CA 1.157 63.159 62.100 -0.164 0.000 1.142 191 T CB -0.107 68.697 68.868 -0.106 0.000 0.866 191 T HN 0.558 nan 8.240 nan 0.000 0.444 192 R N 1.038 121.486 120.500 -0.087 0.000 2.139 192 R HA -0.135 4.204 4.340 -0.001 0.000 0.243 192 R C 1.943 178.204 176.300 -0.064 0.000 1.145 192 R CA 1.588 57.653 56.100 -0.058 0.000 0.976 192 R CB -0.078 30.200 30.300 -0.035 0.000 0.866 192 R HN 0.516 nan 8.270 nan 0.000 0.449 193 E N -1.632 118.516 120.200 -0.086 0.000 2.385 193 E HA 0.003 4.353 4.350 -0.001 0.000 0.194 193 E C 1.677 178.199 176.600 -0.130 0.000 1.013 193 E CA 0.483 56.838 56.400 -0.075 0.000 0.866 193 E CB 0.313 29.986 29.700 -0.044 0.000 0.832 193 E HN 0.529 nan 8.360 nan 0.000 0.500 194 G N 1.706 110.336 108.800 -0.283 0.000 2.394 194 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.214 194 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.214 194 G C 1.421 176.228 174.900 -0.155 0.000 1.176 194 G CA 0.403 45.185 45.100 -0.530 0.000 0.786 194 G HN 0.182 nan 8.290 nan 0.000 0.533 195 N N 0.879 119.519 118.700 -0.100 0.000 2.137 195 N HA -0.153 4.586 4.740 -0.001 0.000 0.190 195 N C 1.556 177.112 175.510 0.077 0.000 1.017 195 N CA 1.583 54.653 53.050 0.035 0.000 0.859 195 N CB -0.189 38.303 38.487 0.007 0.000 1.002 195 N HN 0.134 nan 8.380 nan 0.000 0.428 196 D N 1.014 121.427 120.400 0.021 0.000 2.088 196 D HA -0.159 4.480 4.640 -0.001 0.000 0.191 196 D C 2.067 178.392 176.300 0.041 0.000 0.992 196 D CA 0.630 54.644 54.000 0.024 0.000 0.831 196 D CB -0.610 40.189 40.800 -0.002 0.000 0.973 196 D HN 0.205 nan 8.370 nan 0.000 0.447 197 L N 0.200 121.440 121.223 0.029 0.000 2.013 197 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 197 L C 2.336 179.254 176.870 0.081 0.000 1.073 197 L CA 1.604 56.449 54.840 0.009 0.000 0.753 197 L CB -0.834 41.194 42.059 -0.052 0.000 0.890 197 L HN 0.085 nan 8.230 nan 0.000 0.432 198 Y N 0.446 120.763 120.300 0.028 0.000 2.128 198 Y HA -0.299 4.250 4.550 -0.001 0.000 0.284 198 Y C 2.904 178.813 175.900 0.015 0.000 1.154 198 Y CA 2.332 60.456 58.100 0.041 0.000 1.149 198 Y CB -0.405 38.109 38.460 0.090 0.000 0.976 198 Y HN 0.230 nan 8.280 nan 0.000 0.505 199 R N 0.260 120.756 120.500 -0.006 0.000 2.115 199 R HA -0.173 4.167 4.340 -0.001 0.000 0.230 199 R C 2.303 178.567 176.300 -0.059 0.000 1.111 199 R CA 1.606 57.647 56.100 -0.098 0.000 0.976 199 R CB -0.292 30.003 30.300 -0.007 0.000 0.870 199 R HN 0.563 nan 8.270 nan 0.000 0.445 200 E N 0.052 120.251 120.200 -0.002 0.000 2.152 200 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 200 E C 1.878 178.479 176.600 0.002 0.000 0.983 200 E CA 0.943 57.370 56.400 0.044 0.000 0.818 200 E CB 0.049 29.783 29.700 0.057 0.000 0.758 200 E HN 0.344 nan 8.360 nan 0.000 0.467 201 M N 0.166 119.736 119.600 -0.049 0.000 2.229 201 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 201 M C 2.102 178.345 176.300 -0.095 0.000 1.063 201 M CA 1.228 56.487 55.300 -0.067 0.000 1.114 201 M CB 0.079 32.642 32.600 -0.061 0.000 1.387 201 M HN -0.016 nan 8.290 nan 0.000 0.420 202 K N 0.167 120.475 120.400 -0.154 0.000 2.062 202 K HA -0.109 4.211 4.320 -0.001 0.000 0.205 202 K C 1.723 178.250 176.600 -0.122 0.000 1.051 202 K CA 1.108 57.294 56.287 -0.168 0.000 0.941 202 K CB -0.039 32.305 32.500 -0.261 0.000 0.719 202 K HN 0.399 nan 8.250 nan 0.000 0.440 203 E N -0.181 119.956 120.200 -0.105 0.000 2.204 203 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 203 E C 1.690 178.203 176.600 -0.145 0.000 0.989 203 E CA 1.040 57.367 56.400 -0.121 0.000 0.824 203 E CB 0.088 29.730 29.700 -0.097 0.000 0.756 203 E HN 0.119 nan 8.360 nan 0.000 0.477 204 T N -1.896 112.605 114.554 -0.088 0.000 3.057 204 T HA 0.154 4.504 4.350 -0.001 0.000 0.254 204 T C 1.213 175.874 174.700 -0.066 0.000 1.094 204 T CA 0.939 62.997 62.100 -0.069 0.000 1.088 204 T CB 0.227 69.099 68.868 0.007 0.000 0.934 204 T HN 0.406 nan 8.240 nan 0.000 0.497 205 G N 0.302 109.061 108.800 -0.068 0.000 2.232 205 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.226 205 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.226 205 G C 1.229 176.106 174.900 -0.040 0.000 0.996 205 G CA 0.608 45.675 45.100 -0.055 0.000 0.626 205 G HN 1.039 nan 8.290 nan 0.000 0.509 206 V N -0.824 119.066 119.914 -0.039 0.000 2.913 206 V HA 0.456 4.576 4.120 -0.001 0.000 0.260 206 V C 1.138 177.223 176.094 -0.015 0.000 1.098 206 V CA 1.455 63.740 62.300 -0.025 0.000 1.121 206 V CB -0.251 31.552 31.823 -0.034 0.000 0.714 206 V HN 0.482 nan 8.190 nan 0.000 0.487 207 I N 1.463 122.013 120.570 -0.033 0.000 2.509 207 I HA 0.518 4.687 4.170 -0.001 0.000 0.293 207 I C -0.598 175.492 176.117 -0.045 0.000 1.020 207 I CA -0.343 60.940 61.300 -0.029 0.000 1.088 207 I CB 1.847 39.826 38.000 -0.034 0.000 1.267 207 I HN 0.072 nan 8.210 nan 0.000 0.430 208 N N 6.550 125.234 118.700 -0.027 0.000 2.607 208 N HA 0.300 5.039 4.740 -0.001 0.000 0.271 208 N C 0.466 175.966 175.510 -0.017 0.000 1.142 208 N CA -0.291 52.741 53.050 -0.029 0.000 0.810 208 N CB 1.570 40.045 38.487 -0.019 0.000 1.306 208 N HN 0.587 nan 8.380 nan 0.000 0.536 209 L N 1.351 122.561 121.223 -0.022 0.000 2.351 209 L HA -0.169 4.170 4.340 -0.001 0.000 0.220 209 L C 1.252 178.122 176.870 -0.000 0.000 1.127 209 L CA 1.430 56.269 54.840 -0.002 0.000 0.786 209 L CB 0.113 42.170 42.059 -0.002 0.000 0.914 209 L HN 0.485 nan 8.230 nan 0.000 0.443 210 E N -0.765 119.431 120.200 -0.007 0.000 2.207 210 E HA 0.091 4.440 4.350 -0.001 0.000 0.197 210 E C 1.668 178.268 176.600 -0.000 0.000 0.914 210 E CA 0.441 56.839 56.400 -0.003 0.000 0.914 210 E CB -0.138 29.558 29.700 -0.007 0.000 0.893 210 E HN 0.365 nan 8.360 nan 0.000 0.479 211 G N 1.073 109.871 108.800 -0.002 0.000 2.711 211 G HA2 0.020 3.979 3.960 -0.001 0.000 0.186 211 G HA3 0.020 3.979 3.960 -0.001 0.000 0.186 211 G C -0.319 174.588 174.900 0.012 0.000 1.635 211 G CA -0.373 44.730 45.100 0.004 0.000 1.065 211 G HN 0.022 nan 8.290 nan 0.000 0.545 212 E N 0.053 120.267 120.200 0.022 0.000 2.129 212 E HA 0.412 4.761 4.350 -0.001 0.000 0.268 212 E C -0.921 175.706 176.600 0.043 0.000 0.900 212 E CA -0.233 56.193 56.400 0.042 0.000 0.755 212 E CB 1.664 31.408 29.700 0.073 0.000 1.117 212 E HN 0.158 nan 8.360 nan 0.000 0.410 213 S N 2.434 118.147 115.700 0.022 0.000 2.499 213 S HA 0.149 4.619 4.470 -0.001 0.000 0.279 213 S C 0.821 175.447 174.600 0.043 0.000 1.219 213 S CA -0.681 57.528 58.200 0.016 0.000 1.062 213 S CB 1.170 64.366 63.200 -0.007 0.000 0.978 213 S HN 0.424 nan 8.310 nan 0.000 0.489 214 K N 0.970 121.426 120.400 0.094 0.000 2.379 214 K HA 0.231 4.551 4.320 -0.001 0.000 0.194 214 K C 0.115 176.814 176.600 0.165 0.000 1.031 214 K CA 0.247 56.663 56.287 0.214 0.000 1.037 214 K CB 0.414 32.995 32.500 0.134 0.000 0.824 214 K HN 0.335 nan 8.250 nan 0.000 0.516 215 V N 0.410 120.364 119.914 0.066 0.000 2.962 215 V HA 0.661 4.781 4.120 -0.001 0.000 0.313 215 V C -1.695 174.423 176.094 0.039 0.000 1.099 215 V CA -0.908 61.435 62.300 0.073 0.000 0.971 215 V CB 1.983 33.853 31.823 0.078 0.000 1.028 215 V HN 0.135 nan 8.190 nan 0.000 0.430 216 A N 5.684 128.544 122.820 0.067 0.000 2.337 216 A HA 0.903 5.223 4.320 -0.001 0.000 0.329 216 A C -1.285 176.312 177.584 0.023 0.000 1.146 216 A CA -0.647 51.416 52.037 0.044 0.000 0.800 216 A CB 1.213 20.260 19.000 0.078 0.000 1.220 216 A HN 0.800 nan 8.150 nan 0.000 0.472 217 L N 2.156 123.339 121.223 -0.067 0.000 2.322 217 L HA 0.615 4.954 4.340 -0.001 0.000 0.281 217 L C -1.018 175.663 176.870 -0.316 0.000 1.014 217 L CA -0.851 53.847 54.840 -0.235 0.000 0.815 217 L CB 1.867 43.715 42.059 -0.351 0.000 1.247 217 L HN 0.415 nan 8.230 nan 0.000 0.421 218 V N 3.430 123.122 119.914 -0.369 0.000 2.483 218 V HA 0.478 4.597 4.120 -0.001 0.000 0.297 218 V C -0.924 174.999 176.094 -0.284 0.000 1.027 218 V CA -0.423 61.724 62.300 -0.256 0.000 0.855 218 V CB 1.813 33.580 31.823 -0.094 0.000 0.995 218 V HN 0.357 nan 8.190 nan 0.000 0.424 219 F N 2.385 122.366 119.950 0.053 0.000 2.477 219 F HA 0.737 5.264 4.527 -0.001 0.000 0.335 219 F C 0.729 176.548 175.800 0.032 0.000 1.130 219 F CA -1.225 56.808 58.000 0.054 0.000 0.948 219 F CB 2.237 41.260 39.000 0.038 0.000 1.154 219 F HN 0.517 nan 8.300 nan 0.000 0.439 220 G N 3.482 112.435 108.800 0.256 0.000 2.716 220 G HA2 0.494 4.453 3.960 -0.001 0.000 0.333 220 G HA3 0.494 4.453 3.960 -0.001 0.000 0.333 220 G C -0.680 174.288 174.900 0.113 0.000 1.168 220 G CA -0.492 44.693 45.100 0.142 0.000 1.064 220 G HN 0.539 nan 8.290 nan 0.000 0.479 221 Q N 1.534 121.380 119.800 0.076 0.000 2.368 221 Q HA 0.267 4.606 4.340 -0.001 0.000 0.237 221 Q C 1.719 177.727 176.000 0.013 0.000 0.987 221 Q CA -0.368 55.448 55.803 0.021 0.000 0.896 221 Q CB 1.524 30.254 28.738 -0.014 0.000 1.241 221 Q HN 0.542 nan 8.270 nan 0.000 0.485 222 M N 1.564 121.162 119.600 -0.003 0.000 2.192 222 M HA -0.233 4.247 4.480 -0.001 0.000 0.259 222 M C 1.239 177.535 176.300 -0.007 0.000 1.071 222 M CA 1.488 56.785 55.300 -0.005 0.000 1.082 222 M CB -0.224 32.368 32.600 -0.013 0.000 1.373 222 M HN 0.711 nan 8.290 nan 0.000 0.408 223 N N -0.220 118.475 118.700 -0.008 0.000 2.467 223 N HA -0.029 4.710 4.740 -0.001 0.000 0.184 223 N C -0.054 175.455 175.510 -0.001 0.000 1.106 223 N CA 0.289 53.336 53.050 -0.007 0.000 0.892 223 N CB -0.349 38.133 38.487 -0.010 0.000 0.969 223 N HN 0.351 nan 8.380 nan 0.000 0.454 224 E N 1.449 121.651 120.200 0.005 0.000 2.398 224 E HA 0.195 4.544 4.350 -0.001 0.000 0.263 224 E C -2.149 174.453 176.600 0.005 0.000 1.046 224 E CA -1.525 54.880 56.400 0.010 0.000 0.908 224 E CB 0.628 30.341 29.700 0.021 0.000 0.963 224 E HN 0.226 nan 8.360 nan 0.000 0.431 225 P HA 0.058 nan 4.420 nan 0.000 0.275 225 P C -2.237 175.060 177.300 -0.005 0.000 1.266 225 P CA -1.070 62.029 63.100 -0.002 0.000 0.793 225 P CB 0.083 31.784 31.700 0.001 0.000 1.074 226 P HA -0.157 nan 4.420 nan 0.000 0.218 226 P C 1.555 178.843 177.300 -0.021 0.000 1.148 226 P CA 1.963 65.047 63.100 -0.027 0.000 0.822 226 P CB -0.535 31.144 31.700 -0.035 0.000 0.784 227 G N 0.296 109.092 108.800 -0.007 0.000 2.446 227 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.217 227 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.217 227 G C 1.671 176.581 174.900 0.017 0.000 1.168 227 G CA 1.069 46.173 45.100 0.007 0.000 0.771 227 G HN 0.342 nan 8.290 nan 0.000 0.551 228 A N 0.438 123.269 122.820 0.018 0.000 1.930 228 A HA 0.070 4.390 4.320 -0.001 0.000 0.217 228 A C 2.444 180.049 177.584 0.035 0.000 1.175 228 A CA 1.656 53.710 52.037 0.028 0.000 0.627 228 A CB -0.331 18.685 19.000 0.027 0.000 0.815 228 A HN 0.333 nan 8.150 nan 0.000 0.443 229 R N -0.522 119.993 120.500 0.024 0.000 2.115 229 R HA 0.019 4.358 4.340 -0.001 0.000 0.230 229 R C 2.371 178.698 176.300 0.045 0.000 1.111 229 R CA 1.123 57.242 56.100 0.033 0.000 0.976 229 R CB -0.377 29.928 30.300 0.008 0.000 0.870 229 R HN 0.502 nan 8.270 nan 0.000 0.445 230 A N 0.687 123.509 122.820 0.003 0.000 1.969 230 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 230 A C 1.767 179.417 177.584 0.111 0.000 1.169 230 A CA 1.161 53.181 52.037 -0.029 0.000 0.635 230 A CB -0.105 18.843 19.000 -0.088 0.000 0.810 230 A HN 0.073 nan 8.150 nan 0.000 0.445 231 R N -0.309 120.242 120.500 0.085 0.000 2.254 231 R HA 0.033 4.373 4.340 -0.001 0.000 0.195 231 R C 2.027 178.356 176.300 0.047 0.000 0.957 231 R CA 1.209 57.350 56.100 0.069 0.000 1.024 231 R CB -1.046 29.276 30.300 0.036 0.000 0.952 231 R HN 0.569 nan 8.270 nan 0.000 0.484 232 V N -0.711 119.243 119.914 0.066 0.000 2.332 232 V HA -0.134 3.986 4.120 -0.001 0.000 0.248 232 V C 2.438 178.538 176.094 0.011 0.000 1.055 232 V CA 1.761 64.085 62.300 0.040 0.000 1.038 232 V CB -1.372 30.489 31.823 0.064 0.000 0.651 232 V HN 0.139 nan 8.190 nan 0.000 0.450 233 A N 0.840 123.675 122.820 0.026 0.000 1.958 233 A HA -0.153 4.166 4.320 -0.001 0.000 0.221 233 A C 2.279 179.797 177.584 -0.110 0.000 1.178 233 A CA 2.471 54.457 52.037 -0.086 0.000 0.642 233 A CB -0.700 18.159 19.000 -0.237 0.000 0.816 233 A HN 0.605 nan 8.150 nan 0.000 0.453 234 L N -1.400 119.779 121.223 -0.073 0.000 2.005 234 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 234 L C 2.833 179.645 176.870 -0.097 0.000 1.072 234 L CA 1.771 56.547 54.840 -0.106 0.000 0.744 234 L CB -1.276 40.689 42.059 -0.156 0.000 0.895 234 L HN 0.339 nan 8.230 nan 0.000 0.433 235 T N 0.086 114.592 114.554 -0.080 0.000 2.565 235 T HA -0.255 4.094 4.350 -0.001 0.000 0.265 235 T C 1.759 176.428 174.700 -0.051 0.000 1.082 235 T CA 1.900 63.962 62.100 -0.063 0.000 1.173 235 T CB -0.844 68.000 68.868 -0.041 0.000 0.864 235 T HN 0.602 nan 8.240 nan 0.000 0.425 236 G N 1.219 109.993 108.800 -0.044 0.000 2.446 236 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.217 236 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.217 236 G C 1.563 176.449 174.900 -0.023 0.000 1.168 236 G CA 1.119 46.200 45.100 -0.031 0.000 0.771 236 G HN 0.474 nan 8.290 nan 0.000 0.551 237 L N 1.108 122.300 121.223 -0.053 0.000 2.013 237 L HA -0.108 4.231 4.340 -0.001 0.000 0.212 237 L C 2.818 179.677 176.870 -0.019 0.000 1.073 237 L CA 2.971 57.780 54.840 -0.052 0.000 0.753 237 L CB -1.190 40.813 42.059 -0.093 0.000 0.890 237 L HN 0.206 nan 8.230 nan 0.000 0.432 238 T N 0.375 114.911 114.554 -0.031 0.000 2.699 238 T HA -0.210 4.139 4.350 -0.001 0.000 0.268 238 T C 1.977 176.678 174.700 0.003 0.000 1.036 238 T CA 2.125 64.214 62.100 -0.019 0.000 1.147 238 T CB -0.484 68.357 68.868 -0.045 0.000 0.862 238 T HN 0.405 nan 8.240 nan 0.000 0.446 239 I N 1.341 121.912 120.570 0.002 0.000 2.179 239 I HA -0.202 3.968 4.170 -0.001 0.000 0.242 239 I C 2.985 179.182 176.117 0.134 0.000 1.088 239 I CA 1.267 62.578 61.300 0.018 0.000 1.357 239 I CB -0.586 37.441 38.000 0.044 0.000 1.051 239 I HN 0.216 nan 8.210 nan 0.000 0.409 240 A N 0.296 123.224 122.820 0.180 0.000 1.972 240 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 240 A C 2.211 179.919 177.584 0.208 0.000 1.169 240 A CA 1.537 53.731 52.037 0.262 0.000 0.635 240 A CB -0.542 18.536 19.000 0.131 0.000 0.810 240 A HN 0.442 nan 8.150 nan 0.000 0.446 241 E N -1.717 118.548 120.200 0.109 0.000 2.110 241 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 241 E C 1.807 178.457 176.600 0.083 0.000 0.988 241 E CA 1.427 57.872 56.400 0.075 0.000 0.804 241 E CB -0.269 29.456 29.700 0.042 0.000 0.745 241 E HN 0.818 nan 8.360 nan 0.000 0.458 242 Y N 0.028 120.285 120.300 -0.073 0.000 2.293 242 Y HA -0.197 4.353 4.550 -0.001 0.000 0.291 242 Y C 1.667 177.494 175.900 -0.122 0.000 1.137 242 Y CA 1.210 59.221 58.100 -0.148 0.000 1.202 242 Y CB -0.121 38.175 38.460 -0.272 0.000 0.990 242 Y HN -0.052 nan 8.280 nan 0.000 0.537 243 F N 0.068 120.063 119.950 0.075 0.000 2.293 243 F HA -0.072 4.454 4.527 -0.001 0.000 0.300 243 F C 2.644 178.420 175.800 -0.041 0.000 1.086 243 F CA 1.553 59.573 58.000 0.034 0.000 1.375 243 F CB -0.477 38.620 39.000 0.160 0.000 1.045 243 F HN -0.009 nan 8.300 nan 0.000 0.516 244 R N 0.244 120.816 120.500 0.121 0.000 2.080 244 R HA -0.079 4.260 4.340 -0.001 0.000 0.222 244 R C 1.433 177.708 176.300 -0.041 0.000 1.107 244 R CA 1.449 57.571 56.100 0.037 0.000 0.980 244 R CB -0.170 30.151 30.300 0.034 0.000 0.879 244 R HN 0.085 nan 8.270 nan 0.000 0.439 245 D N -0.071 120.274 120.400 -0.091 0.000 2.234 245 D HA -0.085 4.554 4.640 -0.001 0.000 0.205 245 D C 1.205 177.372 176.300 -0.222 0.000 0.962 245 D CA 1.052 54.977 54.000 -0.125 0.000 0.855 245 D CB 0.286 41.035 40.800 -0.083 0.000 0.951 245 D HN 0.228 nan 8.370 nan 0.000 0.500 246 E N -0.308 119.643 120.200 -0.415 0.000 2.421 246 E HA 0.102 4.452 4.350 -0.001 0.000 0.209 246 E C 1.111 177.554 176.600 -0.261 0.000 0.871 246 E CA 0.252 56.365 56.400 -0.479 0.000 1.064 246 E CB 0.673 29.707 29.700 -1.110 0.000 1.075 246 E HN 0.093 nan 8.360 nan 0.000 0.513 247 E N -0.763 119.343 120.200 -0.157 0.000 2.511 247 E HA 0.191 4.540 4.350 -0.001 0.000 0.209 247 E C 0.203 176.809 176.600 0.010 0.000 0.986 247 E CA 0.327 56.727 56.400 0.000 0.000 0.974 247 E CB 1.071 30.872 29.700 0.168 0.000 1.030 247 E HN 0.217 nan 8.360 nan 0.000 0.490 248 G N 3.124 111.915 108.800 -0.015 0.000 2.350 248 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.298 248 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.298 248 G C -0.135 174.764 174.900 -0.002 0.000 1.037 248 G CA 0.543 45.634 45.100 -0.014 0.000 1.074 248 G HN 0.188 nan 8.290 nan 0.000 0.511 249 Q N -0.418 119.398 119.800 0.026 0.000 2.248 249 Q HA 0.407 4.747 4.340 -0.001 0.000 0.263 249 Q C -0.730 175.268 176.000 -0.003 0.000 1.007 249 Q CA -0.985 54.820 55.803 0.004 0.000 0.877 249 Q CB 1.446 30.192 28.738 0.014 0.000 1.315 249 Q HN 0.238 nan 8.270 nan 0.000 0.454 250 D N 1.862 122.246 120.400 -0.026 0.000 2.422 250 D HA 0.174 4.813 4.640 -0.001 0.000 0.227 250 D C -0.563 175.733 176.300 -0.007 0.000 1.190 250 D CA 0.061 54.051 54.000 -0.018 0.000 0.905 250 D CB 0.753 41.533 40.800 -0.033 0.000 1.034 250 D HN 0.136 nan 8.370 nan 0.000 0.507 251 V N 2.654 122.572 119.914 0.007 0.000 2.785 251 V HA 0.283 4.403 4.120 -0.001 0.000 0.300 251 V C 0.785 176.865 176.094 -0.023 0.000 1.062 251 V CA -0.719 61.588 62.300 0.013 0.000 1.029 251 V CB 1.591 33.464 31.823 0.083 0.000 1.024 251 V HN 0.314 nan 8.190 nan 0.000 0.477 252 L N 3.733 124.933 121.223 -0.037 0.000 2.322 252 L HA 0.581 4.920 4.340 -0.001 0.000 0.279 252 L C -0.741 176.012 176.870 -0.196 0.000 1.036 252 L CA -0.579 54.160 54.840 -0.169 0.000 0.807 252 L CB 1.695 43.650 42.059 -0.173 0.000 1.226 252 L HN 0.488 nan 8.230 nan 0.000 0.433 253 L N 3.208 124.217 121.223 -0.356 0.000 2.381 253 L HA 0.552 4.892 4.340 -0.001 0.000 0.274 253 L C -1.397 175.189 176.870 -0.474 0.000 0.988 253 L CA 0.123 54.802 54.840 -0.268 0.000 0.824 253 L CB 1.443 43.405 42.059 -0.162 0.000 1.263 253 L HN 0.211 nan 8.230 nan 0.000 0.410 254 F N 5.845 125.713 119.950 -0.135 0.000 2.427 254 F HA 0.572 5.098 4.527 -0.001 0.000 0.346 254 F C -0.024 175.512 175.800 -0.440 0.000 1.120 254 F CA -0.382 57.453 58.000 -0.275 0.000 1.033 254 F CB 1.414 40.229 39.000 -0.309 0.000 1.126 254 F HN 0.236 nan 8.300 nan 0.000 0.462 255 I N 3.142 123.593 120.570 -0.198 0.000 2.382 255 I HA 0.265 4.435 4.170 -0.001 0.000 0.286 255 I C -1.141 174.871 176.117 -0.174 0.000 1.002 255 I CA -0.388 60.779 61.300 -0.222 0.000 1.135 255 I CB 1.509 39.390 38.000 -0.198 0.000 1.288 255 I HN 0.446 nan 8.210 nan 0.000 0.448 256 D N 6.661 126.945 120.400 -0.194 0.000 2.402 256 D HA 0.236 4.876 4.640 -0.001 0.000 0.252 256 D C -1.260 175.071 176.300 0.051 0.000 1.294 256 D CA -0.331 53.650 54.000 -0.032 0.000 0.948 256 D CB 1.014 41.842 40.800 0.046 0.000 1.202 256 D HN 0.372 nan 8.370 nan 0.000 0.561 257 N N 4.163 122.907 118.700 0.074 0.000 2.258 257 N HA 0.184 4.923 4.740 -0.001 0.000 0.299 257 N C 0.680 176.254 175.510 0.107 0.000 1.047 257 N CA -0.536 52.564 53.050 0.084 0.000 0.814 257 N CB 1.736 40.300 38.487 0.130 0.000 1.413 257 N HN 0.344 nan 8.380 nan 0.000 0.478 258 I N 3.533 124.149 120.570 0.078 0.000 2.423 258 I HA -0.146 4.024 4.170 -0.001 0.000 0.254 258 I C 1.696 177.959 176.117 0.244 0.000 1.151 258 I CA 1.087 62.447 61.300 0.100 0.000 1.421 258 I CB -0.387 37.613 38.000 -0.000 0.000 1.079 258 I HN 0.625 nan 8.210 nan 0.000 0.431 259 F N 1.429 121.459 119.950 0.133 0.000 2.171 259 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 259 F C 2.450 178.349 175.800 0.165 0.000 1.090 259 F CA 1.553 59.662 58.000 0.183 0.000 1.293 259 F CB -0.416 38.736 39.000 0.253 0.000 1.013 259 F HN -0.046 nan 8.300 nan 0.000 0.486 260 R N -0.842 119.658 120.500 -0.001 0.000 2.148 260 R HA -0.170 4.170 4.340 -0.001 0.000 0.227 260 R C 2.195 178.456 176.300 -0.064 0.000 1.103 260 R CA 1.410 57.442 56.100 -0.113 0.000 0.983 260 R CB -0.899 29.411 30.300 0.016 0.000 0.874 260 R HN 0.422 nan 8.270 nan 0.000 0.451 261 F N 1.530 121.420 119.950 -0.100 0.000 2.134 261 F HA -0.179 4.347 4.527 -0.001 0.000 0.299 261 F C 2.033 177.778 175.800 -0.092 0.000 1.097 261 F CA 1.598 59.553 58.000 -0.076 0.000 1.264 261 F CB -0.280 38.690 39.000 -0.050 0.000 1.001 261 F HN -0.185 nan 8.300 nan 0.000 0.479 262 T N 0.225 114.673 114.554 -0.176 0.000 2.812 262 T HA -0.136 4.213 4.350 -0.001 0.000 0.264 262 T C 1.884 176.436 174.700 -0.246 0.000 1.042 262 T CA 1.171 63.133 62.100 -0.230 0.000 1.140 262 T CB -0.188 68.675 68.868 -0.008 0.000 0.870 262 T HN 0.240 nan 8.240 nan 0.000 0.445 263 Q N 0.758 120.319 119.800 -0.398 0.000 2.124 263 Q HA -0.009 4.331 4.340 -0.001 0.000 0.202 263 Q C 2.638 178.501 176.000 -0.227 0.000 0.977 263 Q CA 1.443 57.044 55.803 -0.338 0.000 0.850 263 Q CB -0.545 27.900 28.738 -0.489 0.000 0.901 263 Q HN 0.559 nan 8.270 nan 0.000 0.429 264 A N 0.583 123.262 122.820 -0.236 0.000 1.877 264 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 264 A C 2.354 179.823 177.584 -0.192 0.000 1.186 264 A CA 1.761 53.690 52.037 -0.180 0.000 0.620 264 A CB -1.097 17.812 19.000 -0.152 0.000 0.822 264 A HN 0.448 nan 8.150 nan 0.000 0.443 265 G N -0.842 107.785 108.800 -0.289 0.000 2.446 265 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 265 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 265 G C 1.921 176.743 174.900 -0.131 0.000 1.168 265 G CA 1.548 46.502 45.100 -0.243 0.000 0.771 265 G HN 0.540 nan 8.290 nan 0.000 0.551 266 S N 0.272 115.909 115.700 -0.105 0.000 2.365 266 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 266 S C 2.285 176.839 174.600 -0.076 0.000 1.039 266 S CA 2.095 60.259 58.200 -0.060 0.000 1.033 266 S CB -0.301 62.853 63.200 -0.075 0.000 0.887 266 S HN 0.616 nan 8.310 nan 0.000 0.447 267 E N -0.233 119.913 120.200 -0.091 0.000 2.072 267 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 267 E C 2.173 178.740 176.600 -0.055 0.000 0.985 267 E CA 1.350 57.707 56.400 -0.072 0.000 0.801 267 E CB -0.162 29.494 29.700 -0.073 0.000 0.750 267 E HN 0.369 nan 8.360 nan 0.000 0.452 268 V N 0.690 120.569 119.914 -0.060 0.000 2.295 268 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 268 V C 2.383 178.458 176.094 -0.033 0.000 1.049 268 V CA 1.839 64.113 62.300 -0.043 0.000 1.024 268 V CB -0.509 31.286 31.823 -0.046 0.000 0.648 268 V HN 0.230 nan 8.190 nan 0.000 0.447 269 S N -0.383 115.295 115.700 -0.037 0.000 2.359 269 S HA -0.248 4.222 4.470 -0.001 0.000 0.224 269 S C 2.200 176.789 174.600 -0.019 0.000 1.035 269 S CA 1.736 59.922 58.200 -0.023 0.000 1.018 269 S CB -0.467 62.722 63.200 -0.018 0.000 0.876 269 S HN 0.641 nan 8.310 nan 0.000 0.448 270 A N 1.226 124.031 122.820 -0.025 0.000 1.917 270 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 270 A C 2.166 179.739 177.584 -0.018 0.000 1.182 270 A CA 1.618 53.641 52.037 -0.023 0.000 0.633 270 A CB -0.834 18.146 19.000 -0.033 0.000 0.819 270 A HN 0.573 nan 8.150 nan 0.000 0.448 271 L N -0.929 120.283 121.223 -0.019 0.000 2.141 271 L HA -0.090 4.250 4.340 -0.001 0.000 0.209 271 L C 2.009 178.875 176.870 -0.007 0.000 1.094 271 L CA 0.735 55.568 54.840 -0.013 0.000 0.763 271 L CB -0.363 41.688 42.059 -0.013 0.000 0.908 271 L HN 0.356 nan 8.230 nan 0.000 0.437 272 L N -0.409 120.810 121.223 -0.007 0.000 2.599 272 L HA 0.102 4.441 4.340 -0.001 0.000 0.230 272 L C 1.448 178.318 176.870 -0.000 0.000 1.141 272 L CA 0.546 55.385 54.840 -0.002 0.000 0.877 272 L CB -0.420 41.637 42.059 -0.003 0.000 1.009 272 L HN 0.492 nan 8.230 nan 0.000 0.447 273 G N 0.444 109.242 108.800 -0.002 0.000 2.157 273 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 273 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 273 G C 0.326 175.226 174.900 -0.000 0.000 0.979 273 G CA -0.308 44.792 45.100 -0.001 0.000 0.650 273 G HN 0.382 nan 8.290 nan 0.000 0.529 274 R N -0.265 120.235 120.500 -0.001 0.000 2.491 274 R HA 0.429 4.769 4.340 -0.001 0.000 0.283 274 R C 0.501 176.802 176.300 0.002 0.000 1.072 274 R CA -0.467 55.633 56.100 0.001 0.000 1.048 274 R CB 0.628 30.928 30.300 0.000 0.000 0.983 274 R HN 0.245 nan 8.270 nan 0.000 0.450 275 I N 5.765 126.338 120.570 0.005 0.000 2.662 275 I HA -0.015 4.154 4.170 -0.001 0.000 0.285 275 I C -1.535 174.589 176.117 0.012 0.000 1.161 275 I CA -1.097 60.207 61.300 0.007 0.000 1.415 275 I CB 0.090 38.095 38.000 0.009 0.000 1.385 275 I HN 0.382 nan 8.210 nan 0.000 0.552 276 P HA 0.064 nan 4.420 nan 0.000 0.269 276 P C -0.157 177.163 177.300 0.033 0.000 1.209 276 P CA -0.231 62.880 63.100 0.018 0.000 0.776 276 P CB 1.093 32.794 31.700 0.001 0.000 0.876 277 S N 1.421 117.155 115.700 0.058 0.000 2.481 277 S HA 0.548 5.017 4.470 -0.001 0.000 0.267 277 S C 0.157 174.810 174.600 0.090 0.000 1.174 277 S CA -0.266 57.977 58.200 0.071 0.000 1.027 277 S CB -0.098 63.153 63.200 0.085 0.000 1.117 277 S HN 0.600 nan 8.310 nan 0.000 0.495 278 A N 0.263 123.146 122.820 0.104 0.000 2.511 278 A HA 0.418 4.737 4.320 -0.001 0.000 0.242 278 A C 0.888 178.584 177.584 0.186 0.000 1.069 278 A CA 0.288 52.394 52.037 0.114 0.000 0.763 278 A CB -0.796 18.261 19.000 0.095 0.000 1.001 278 A HN 1.649 nan 8.150 nan 0.000 0.498 279 V N 1.320 121.316 119.914 0.136 0.000 4.654 279 V HA -0.303 3.816 4.120 -0.001 0.000 0.261 279 V C 1.787 177.894 176.094 0.021 0.000 0.471 279 V CA 1.516 63.897 62.300 0.134 0.000 0.802 279 V CB -2.597 29.381 31.823 0.259 0.000 0.768 279 V HN 2.903 nan 8.190 nan 0.000 1.286 280 G N -2.508 106.291 108.800 -0.001 0.000 2.212 280 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.266 280 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.266 280 G C 0.001 174.816 174.900 -0.143 0.000 0.978 280 G CA 0.571 45.614 45.100 -0.095 0.000 0.632 280 G HN 0.924 nan 8.290 nan 0.000 0.537 281 Y N 1.906 122.223 120.300 0.028 0.000 2.335 281 Y HA 0.367 4.917 4.550 -0.001 0.000 0.348 281 Y C 1.521 177.422 175.900 0.002 0.000 1.280 281 Y CA 0.161 58.271 58.100 0.016 0.000 1.504 281 Y CB 0.335 38.815 38.460 0.033 0.000 1.366 281 Y HN 0.427 nan 8.280 nan 0.000 0.621 282 Q N 2.813 122.718 119.800 0.175 0.000 2.421 282 Q HA 0.051 4.390 4.340 -0.001 0.000 0.255 282 Q C -2.257 173.793 176.000 0.083 0.000 1.013 282 Q CA -1.554 54.297 55.803 0.081 0.000 0.895 282 Q CB 0.565 29.326 28.738 0.039 0.000 1.271 282 Q HN 0.388 nan 8.270 nan 0.000 0.460 283 P HA -0.089 nan 4.420 nan 0.000 0.223 283 P C 0.860 178.181 177.300 0.036 0.000 1.151 283 P CA 1.390 64.516 63.100 0.043 0.000 0.787 283 P CB -0.012 31.705 31.700 0.028 0.000 0.788 284 T N -3.578 110.994 114.554 0.030 0.000 3.206 284 T HA 0.137 4.486 4.350 -0.001 0.000 0.253 284 T C 1.423 176.141 174.700 0.029 0.000 1.042 284 T CA -0.350 61.765 62.100 0.025 0.000 0.931 284 T CB -0.809 68.066 68.868 0.013 0.000 1.029 284 T HN -0.161 nan 8.240 nan 0.000 0.564 285 L N 1.625 122.870 121.223 0.036 0.000 2.051 285 L HA 0.027 4.366 4.340 -0.001 0.000 0.214 285 L C 2.519 179.419 176.870 0.050 0.000 1.076 285 L CA 2.195 57.053 54.840 0.030 0.000 0.758 285 L CB -1.005 41.062 42.059 0.014 0.000 0.890 285 L HN 0.398 nan 8.230 nan 0.000 0.433 286 A N -1.688 121.167 122.820 0.059 0.000 1.935 286 A HA -0.063 4.256 4.320 -0.001 0.000 0.214 286 A C 2.254 179.902 177.584 0.107 0.000 1.178 286 A CA 1.452 53.543 52.037 0.091 0.000 0.640 286 A CB -1.019 18.024 19.000 0.072 0.000 0.825 286 A HN 0.589 nan 8.150 nan 0.000 0.447 287 T N -2.108 112.492 114.554 0.077 0.000 2.942 287 T HA -0.091 4.258 4.350 -0.001 0.000 0.265 287 T C 1.291 176.040 174.700 0.083 0.000 1.062 287 T CA 1.274 63.418 62.100 0.074 0.000 1.139 287 T CB -0.372 68.526 68.868 0.050 0.000 0.883 287 T HN 0.272 nan 8.240 nan 0.000 0.468 288 D N 1.127 121.575 120.400 0.079 0.000 2.104 288 D HA -0.056 4.584 4.640 -0.001 0.000 0.194 288 D C 1.927 178.345 176.300 0.197 0.000 0.994 288 D CA 1.137 55.199 54.000 0.104 0.000 0.830 288 D CB -0.414 40.398 40.800 0.021 0.000 0.959 288 D HN 0.298 nan 8.370 nan 0.000 0.452 289 M N 0.632 120.339 119.600 0.178 0.000 2.117 289 M HA 0.006 4.485 4.480 -0.001 0.000 0.262 289 M C 1.970 178.243 176.300 -0.044 0.000 1.065 289 M CA 1.797 57.186 55.300 0.148 0.000 1.114 289 M CB -0.751 31.930 32.600 0.136 0.000 1.361 289 M HN 0.009 nan 8.290 nan 0.000 0.408 290 G N 0.079 108.900 108.800 0.035 0.000 2.446 290 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 290 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 290 G C 1.520 176.418 174.900 -0.002 0.000 1.168 290 G CA 1.107 46.224 45.100 0.029 0.000 0.771 290 G HN 0.498 nan 8.290 nan 0.000 0.551 291 L N -0.380 120.870 121.223 0.045 0.000 2.275 291 L HA 0.037 4.376 4.340 -0.001 0.000 0.215 291 L C 2.571 179.455 176.870 0.024 0.000 1.119 291 L CA 0.130 55.003 54.840 0.055 0.000 0.790 291 L CB -0.159 41.957 42.059 0.096 0.000 0.919 291 L HN 0.258 nan 8.230 nan 0.000 0.443 292 L N -0.988 120.225 121.223 -0.018 0.000 2.056 292 L HA -0.113 4.226 4.340 -0.001 0.000 0.202 292 L C 2.574 179.339 176.870 -0.176 0.000 1.086 292 L CA 1.494 56.250 54.840 -0.141 0.000 0.758 292 L CB -0.484 41.366 42.059 -0.349 0.000 0.912 292 L HN 0.105 nan 8.230 nan 0.000 0.446 293 Q N 0.028 119.679 119.800 -0.249 0.000 2.124 293 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 293 Q C 1.993 177.912 176.000 -0.136 0.000 0.977 293 Q CA 1.412 57.051 55.803 -0.273 0.000 0.850 293 Q CB -0.359 28.045 28.738 -0.557 0.000 0.901 293 Q HN 0.621 nan 8.270 nan 0.000 0.429 294 E N 0.487 120.640 120.200 -0.077 0.000 2.409 294 E HA -0.111 4.239 4.350 -0.001 0.000 0.198 294 E C 1.745 178.336 176.600 -0.016 0.000 1.024 294 E CA 0.361 56.758 56.400 -0.006 0.000 0.861 294 E CB 0.036 29.756 29.700 0.033 0.000 0.788 294 E HN 0.298 nan 8.360 nan 0.000 0.521 295 R N 0.044 120.521 120.500 -0.039 0.000 2.200 295 R HA 0.134 4.474 4.340 -0.001 0.000 0.208 295 R C 0.781 177.055 176.300 -0.043 0.000 1.033 295 R CA 0.145 56.225 56.100 -0.033 0.000 1.000 295 R CB 0.236 30.514 30.300 -0.037 0.000 0.906 295 R HN 0.033 nan 8.270 nan 0.000 0.462 296 I N 1.318 121.850 120.570 -0.064 0.000 2.347 296 I HA 0.074 4.243 4.170 -0.001 0.000 0.294 296 I C 0.139 176.226 176.117 -0.050 0.000 1.090 296 I CA 0.353 61.611 61.300 -0.069 0.000 1.314 296 I CB 1.154 39.091 38.000 -0.105 0.000 1.423 296 I HN -0.066 nan 8.210 nan 0.000 0.503 297 T N 2.992 117.522 114.554 -0.040 0.000 2.722 297 T HA 0.228 4.578 4.350 -0.001 0.000 0.314 297 T C -0.599 174.081 174.700 -0.034 0.000 1.675 297 T CA -0.548 61.532 62.100 -0.034 0.000 1.003 297 T CB 1.331 70.183 68.868 -0.027 0.000 1.602 297 T HN 0.391 nan 8.240 nan 0.000 0.496 298 T N 3.227 117.759 114.554 -0.037 0.000 2.870 298 T HA 0.522 4.871 4.350 -0.001 0.000 0.300 298 T C 0.796 175.470 174.700 -0.043 0.000 0.989 298 T CA -0.037 62.039 62.100 -0.040 0.000 1.139 298 T CB 0.675 69.517 68.868 -0.043 0.000 0.920 298 T HN 0.841 nan 8.240 nan 0.000 0.537 299 T N 0.616 115.146 114.554 -0.040 0.000 2.780 299 T HA 0.457 4.806 4.350 -0.001 0.000 0.263 299 T C 1.085 175.758 174.700 -0.045 0.000 0.993 299 T CA -0.906 61.168 62.100 -0.043 0.000 1.010 299 T CB 1.070 69.917 68.868 -0.035 0.000 1.642 299 T HN 0.389 nan 8.240 nan 0.000 0.587 300 K N -0.071 120.304 120.400 -0.042 0.000 2.314 300 K HA 0.167 4.486 4.320 -0.001 0.000 0.198 300 K C 2.248 178.826 176.600 -0.036 0.000 1.045 300 K CA 0.105 56.367 56.287 -0.040 0.000 0.988 300 K CB 0.080 32.557 32.500 -0.038 0.000 0.783 300 K HN 0.246 nan 8.250 nan 0.000 0.484 301 K N 0.307 120.686 120.400 -0.035 0.000 2.007 301 K HA 0.015 4.335 4.320 -0.001 0.000 0.206 301 K C 1.418 177.999 176.600 -0.033 0.000 1.047 301 K CA 1.341 57.608 56.287 -0.034 0.000 0.937 301 K CB 0.135 32.613 32.500 -0.037 0.000 0.718 301 K HN 0.280 nan 8.250 nan 0.000 0.438 302 G N -0.742 108.039 108.800 -0.031 0.000 2.899 302 G HA2 0.304 4.263 3.960 -0.001 0.000 0.137 302 G HA3 0.304 4.263 3.960 -0.001 0.000 0.137 302 G C -1.337 173.545 174.900 -0.030 0.000 1.198 302 G CA 0.228 45.310 45.100 -0.030 0.000 1.126 302 G HN 0.239 nan 8.290 nan 0.000 0.589 303 S N -1.443 114.244 115.700 -0.021 0.000 2.543 303 S HA 0.579 5.049 4.470 -0.001 0.000 0.274 303 S C -1.554 173.038 174.600 -0.013 0.000 1.149 303 S CA -0.569 57.618 58.200 -0.023 0.000 0.866 303 S CB 1.553 64.734 63.200 -0.033 0.000 1.111 303 S HN 1.131 nan 8.310 nan 0.000 0.457 304 V N 2.421 122.323 119.914 -0.020 0.000 2.370 304 V HA 0.616 4.736 4.120 -0.001 0.000 0.283 304 V C -0.140 175.919 176.094 -0.058 0.000 1.023 304 V CA -0.313 61.970 62.300 -0.028 0.000 0.857 304 V CB 1.340 33.146 31.823 -0.027 0.000 0.985 304 V HN 1.011 nan 8.190 nan 0.000 0.443 305 T N 3.294 117.802 114.554 -0.077 0.000 2.770 305 T HA 0.375 4.724 4.350 -0.001 0.000 0.283 305 T C -0.075 174.509 174.700 -0.193 0.000 0.988 305 T CA -0.335 61.702 62.100 -0.105 0.000 0.957 305 T CB 1.410 70.244 68.868 -0.057 0.000 0.930 305 T HN 0.608 nan 8.240 nan 0.000 0.443 306 S N 2.644 118.216 115.700 -0.214 0.000 2.437 306 S HA 0.564 5.034 4.470 -0.001 0.000 0.305 306 S C -0.352 174.058 174.600 -0.317 0.000 1.109 306 S CA -0.611 57.418 58.200 -0.286 0.000 1.099 306 S CB 0.491 63.553 63.200 -0.230 0.000 1.004 306 S HN 0.491 nan 8.310 nan 0.000 0.475 307 V N 6.454 126.121 119.914 -0.413 0.000 2.350 307 V HA 0.415 4.534 4.120 -0.001 0.000 0.276 307 V C -0.400 175.616 176.094 -0.130 0.000 1.028 307 V CA -0.434 61.713 62.300 -0.255 0.000 0.860 307 V CB 1.188 32.937 31.823 -0.124 0.000 0.990 307 V HN 0.872 nan 8.190 nan 0.000 0.453 308 Q N 3.530 123.251 119.800 -0.131 0.000 2.330 308 Q HA 0.711 5.050 4.340 -0.001 0.000 0.269 308 Q C -0.247 175.679 176.000 -0.123 0.000 1.022 308 Q CA -0.579 55.147 55.803 -0.127 0.000 0.796 308 Q CB 2.351 30.985 28.738 -0.174 0.000 1.271 308 Q HN 0.824 nan 8.270 nan 0.000 0.450 309 A N 2.585 125.362 122.820 -0.072 0.000 2.454 309 A HA 0.412 4.731 4.320 -0.001 0.000 0.260 309 A C -0.280 177.219 177.584 -0.141 0.000 1.106 309 A CA -0.258 51.727 52.037 -0.087 0.000 0.780 309 A CB 0.353 19.361 19.000 0.014 0.000 1.044 309 A HN 0.518 nan 8.150 nan 0.000 0.498 310 V N 4.019 123.726 119.914 -0.345 0.000 2.409 310 V HA 0.278 4.398 4.120 -0.001 0.000 0.291 310 V C -0.728 175.227 176.094 -0.232 0.000 1.020 310 V CA -0.388 61.705 62.300 -0.345 0.000 0.848 310 V CB 1.109 32.540 31.823 -0.653 0.000 0.990 310 V HN 0.803 nan 8.190 nan 0.000 0.430 311 Y N 5.103 125.336 120.300 -0.111 0.000 2.330 311 Y HA 0.659 5.209 4.550 -0.001 0.000 0.336 311 Y C -0.347 175.452 175.900 -0.169 0.000 1.036 311 Y CA -0.655 57.375 58.100 -0.116 0.000 1.125 311 Y CB 1.792 40.186 38.460 -0.110 0.000 1.194 311 Y HN 0.374 nan 8.280 nan 0.000 0.469 312 V N 8.962 128.386 119.914 -0.815 0.000 2.311 312 V HA 0.325 4.445 4.120 -0.001 0.000 0.275 312 V C -2.231 173.355 176.094 -0.846 0.000 1.022 312 V CA -2.112 59.852 62.300 -0.560 0.000 0.830 312 V CB 0.792 32.521 31.823 -0.157 0.000 1.012 312 V HN 0.735 nan 8.190 nan 0.000 0.452 313 P HA 0.139 nan 4.420 nan 0.000 0.264 313 P C 0.748 177.967 177.300 -0.134 0.000 1.193 313 P CA 0.772 63.718 63.100 -0.256 0.000 0.763 313 P CB 0.731 32.414 31.700 -0.028 0.000 0.810 314 A N 3.725 126.509 122.820 -0.061 0.000 3.052 314 A HA -0.297 4.023 4.320 -0.001 0.000 0.271 314 A C 1.120 178.667 177.584 -0.062 0.000 1.246 314 A CA 1.384 53.404 52.037 -0.028 0.000 0.966 314 A CB -2.496 16.507 19.000 0.006 0.000 1.024 314 A HN 0.616 nan 8.150 nan 0.000 0.736 315 D N -1.396 118.927 120.400 -0.128 0.000 2.837 315 D HA -0.187 4.452 4.640 -0.001 0.000 0.230 315 D C -0.327 175.926 176.300 -0.079 0.000 1.152 315 D CA 1.860 55.793 54.000 -0.111 0.000 0.736 315 D CB -0.884 39.873 40.800 -0.072 0.000 1.084 315 D HN 0.902 nan 8.370 nan 0.000 0.429 316 D N 0.484 120.840 120.400 -0.072 0.000 2.443 316 D HA 0.188 4.828 4.640 -0.001 0.000 0.221 316 D C 1.640 177.903 176.300 -0.062 0.000 1.097 316 D CA -0.486 53.484 54.000 -0.050 0.000 0.865 316 D CB 0.271 41.060 40.800 -0.017 0.000 1.034 316 D HN 0.157 nan 8.370 nan 0.000 0.511 317 L N 2.531 123.698 121.223 -0.093 0.000 2.261 317 L HA -0.153 4.186 4.340 -0.001 0.000 0.216 317 L C 2.046 178.830 176.870 -0.143 0.000 1.114 317 L CA 1.579 56.327 54.840 -0.153 0.000 0.777 317 L CB -0.251 41.673 42.059 -0.225 0.000 0.910 317 L HN 0.515 nan 8.230 nan 0.000 0.440 318 T N -5.040 109.463 114.554 -0.085 0.000 3.086 318 T HA -0.009 4.340 4.350 -0.001 0.000 0.250 318 T C 0.663 175.354 174.700 -0.016 0.000 1.074 318 T CA -0.496 61.567 62.100 -0.060 0.000 0.988 318 T CB -0.249 68.590 68.868 -0.048 0.000 0.988 318 T HN 0.157 nan 8.240 nan 0.000 0.530 319 D N 2.573 122.977 120.400 0.007 0.000 2.455 319 D HA 0.053 4.692 4.640 -0.001 0.000 0.241 319 D C -1.454 174.851 176.300 0.009 0.000 1.138 319 D CA -1.549 52.485 54.000 0.057 0.000 0.877 319 D CB 1.653 42.517 40.800 0.107 0.000 1.187 319 D HN -0.013 nan 8.370 nan 0.000 0.451 320 P HA -0.219 nan 4.420 nan 0.000 0.218 320 P C 0.964 178.127 177.300 -0.229 0.000 1.154 320 P CA 2.164 65.153 63.100 -0.186 0.000 0.872 320 P CB 0.066 31.552 31.700 -0.357 0.000 0.790 321 A N -0.072 122.549 122.820 -0.331 0.000 1.851 321 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 321 A C 0.026 177.696 177.584 0.143 0.000 1.195 321 A CA 2.594 54.583 52.037 -0.080 0.000 0.622 321 A CB -2.326 16.849 19.000 0.292 0.000 0.831 321 A HN 0.229 nan 8.150 nan 0.000 0.444 322 P HA -0.138 nan 4.420 nan 0.000 0.214 322 P C 1.728 179.272 177.300 0.406 0.000 1.162 322 P CA 2.097 65.420 63.100 0.371 0.000 0.879 322 P CB -0.349 31.555 31.700 0.341 0.000 0.786 323 A N -0.104 122.816 122.820 0.167 0.000 1.940 323 A HA -0.249 4.070 4.320 -0.001 0.000 0.221 323 A C 2.351 180.021 177.584 0.143 0.000 1.190 323 A CA 3.052 55.148 52.037 0.098 0.000 0.647 323 A CB -2.046 16.961 19.000 0.012 0.000 0.821 323 A HN 0.248 nan 8.150 nan 0.000 0.457 324 T N -0.578 114.048 114.554 0.119 0.000 2.701 324 T HA -0.104 4.246 4.350 -0.001 0.000 0.263 324 T C 2.044 176.885 174.700 0.234 0.000 1.040 324 T CA 1.859 64.040 62.100 0.135 0.000 1.147 324 T CB -0.683 68.243 68.868 0.096 0.000 0.865 324 T HN 0.579 nan 8.240 nan 0.000 0.426 325 T N 1.779 116.478 114.554 0.242 0.000 2.684 325 T HA -0.057 4.292 4.350 -0.001 0.000 0.267 325 T C 1.567 176.376 174.700 0.181 0.000 1.036 325 T CA 1.115 63.341 62.100 0.209 0.000 1.148 325 T CB -0.627 68.301 68.868 0.100 0.000 0.863 325 T HN 0.284 nan 8.240 nan 0.000 0.436 326 F N 1.445 121.457 119.950 0.104 0.000 2.408 326 F HA 0.078 4.605 4.527 -0.000 0.000 0.300 326 F C 2.403 178.220 175.800 0.027 0.000 1.090 326 F CA 0.429 58.475 58.000 0.077 0.000 1.427 326 F CB -0.369 38.669 39.000 0.064 0.000 1.070 326 F HN 0.138 nan 8.300 nan 0.000 0.549 327 A N -1.514 121.391 122.820 0.143 0.000 2.209 327 A HA -0.103 4.217 4.320 -0.001 0.000 0.212 327 A C 1.566 178.996 177.584 -0.257 0.000 1.158 327 A CA 1.132 53.122 52.037 -0.078 0.000 0.742 327 A CB -0.703 18.190 19.000 -0.178 0.000 0.790 327 A HN 0.472 nan 8.150 nan 0.000 0.472 328 H N -1.442 117.648 119.070 0.033 0.000 3.046 328 H HA 0.281 4.836 4.556 -0.001 0.000 0.262 328 H C -0.197 175.110 175.328 -0.034 0.000 1.044 328 H CA -0.255 55.790 56.048 -0.005 0.000 1.209 328 H CB 0.258 30.005 29.762 -0.024 0.000 1.507 328 H HN 0.298 nan 8.280 nan 0.000 0.507 329 L N 2.536 123.792 121.223 0.056 0.000 2.361 329 L HA 0.044 4.384 4.340 -0.001 0.000 0.278 329 L C 1.015 177.888 176.870 0.005 0.000 1.113 329 L CA -0.064 54.763 54.840 -0.022 0.000 0.849 329 L CB 0.962 42.951 42.059 -0.117 0.000 1.155 329 L HN 0.067 nan 8.230 nan 0.000 0.452 330 D N 2.495 122.886 120.400 -0.016 0.000 2.277 330 D HA 0.106 4.746 4.640 -0.001 0.000 0.208 330 D C 0.604 176.910 176.300 0.010 0.000 0.962 330 D CA 0.791 54.791 54.000 -0.001 0.000 0.865 330 D CB 0.744 41.537 40.800 -0.012 0.000 0.939 330 D HN 0.661 nan 8.370 nan 0.000 0.510 331 A N -0.236 122.578 122.820 -0.010 0.000 2.564 331 A HA 0.542 4.862 4.320 -0.001 0.000 0.291 331 A C -0.798 176.801 177.584 0.026 0.000 1.102 331 A CA -0.518 51.533 52.037 0.023 0.000 0.660 331 A CB 1.520 20.548 19.000 0.048 0.000 1.283 331 A HN 0.018 nan 8.150 nan 0.000 0.430 332 T N -1.921 112.685 114.554 0.087 0.000 2.906 332 T HA 0.777 5.126 4.350 -0.001 0.000 0.295 332 T C -0.840 173.967 174.700 0.180 0.000 1.061 332 T CA -0.426 61.762 62.100 0.147 0.000 1.000 332 T CB 1.879 70.838 68.868 0.152 0.000 1.103 332 T HN 0.839 nan 8.240 nan 0.000 0.486 333 T N 2.175 116.864 114.554 0.226 0.000 2.864 333 T HA 0.523 4.873 4.350 -0.001 0.000 0.299 333 T C -0.695 174.095 174.700 0.151 0.000 1.011 333 T CA -0.504 61.712 62.100 0.193 0.000 0.975 333 T CB 1.030 70.054 68.868 0.261 0.000 0.962 333 T HN 0.665 nan 8.240 nan 0.000 0.448 334 V N 5.866 125.821 119.914 0.069 0.000 2.333 334 V HA 0.422 4.541 4.120 -0.001 0.000 0.274 334 V C -0.081 176.012 176.094 -0.001 0.000 1.028 334 V CA -0.746 61.586 62.300 0.053 0.000 0.851 334 V CB 0.895 32.686 31.823 -0.053 0.000 1.000 334 V HN 0.725 nan 8.190 nan 0.000 0.456 335 L N 4.361 125.586 121.223 0.002 0.000 2.275 335 L HA 0.616 4.955 4.340 -0.001 0.000 0.288 335 L C 0.283 177.159 176.870 0.010 0.000 1.046 335 L CA 0.143 54.964 54.840 -0.031 0.000 0.805 335 L CB 1.562 43.584 42.059 -0.062 0.000 1.193 335 L HN 0.641 nan 8.230 nan 0.000 0.426 336 S N 2.424 118.118 115.700 -0.009 0.000 2.557 336 S HA 0.346 4.815 4.470 -0.001 0.000 0.291 336 S C 0.730 175.320 174.600 -0.017 0.000 1.116 336 S CA -0.735 57.462 58.200 -0.005 0.000 0.992 336 S CB 1.778 64.969 63.200 -0.015 0.000 1.028 336 S HN 0.736 nan 8.310 nan 0.000 0.484 337 R N 3.047 123.545 120.500 -0.003 0.000 2.159 337 R HA -0.063 4.276 4.340 -0.001 0.000 0.237 337 R C 2.057 178.343 176.300 -0.023 0.000 1.131 337 R CA 1.886 57.980 56.100 -0.009 0.000 0.982 337 R CB -0.733 29.572 30.300 0.008 0.000 0.868 337 R HN 0.825 nan 8.270 nan 0.000 0.453 338 G N 0.446 109.233 108.800 -0.021 0.000 2.470 338 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.220 338 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.220 338 G C 1.215 176.096 174.900 -0.032 0.000 1.121 338 G CA 0.404 45.490 45.100 -0.024 0.000 0.766 338 G HN 0.173 nan 8.290 nan 0.000 0.553 339 I N 1.622 122.166 120.570 -0.044 0.000 2.494 339 I HA -0.045 4.124 4.170 -0.001 0.000 0.250 339 I C 2.996 179.041 176.117 -0.119 0.000 1.112 339 I CA 1.488 62.752 61.300 -0.059 0.000 1.438 339 I CB -0.992 36.977 38.000 -0.052 0.000 1.111 339 I HN 0.315 nan 8.210 nan 0.000 0.431 340 S N 0.440 116.040 115.700 -0.167 0.000 2.447 340 S HA -0.140 4.329 4.470 -0.001 0.000 0.233 340 S C 1.700 176.194 174.600 -0.177 0.000 1.006 340 S CA 0.940 58.955 58.200 -0.308 0.000 0.957 340 S CB -0.417 62.621 63.200 -0.270 0.000 0.773 340 S HN 0.420 nan 8.310 nan 0.000 0.507 341 E N 0.737 120.889 120.200 -0.081 0.000 2.274 341 E HA 0.156 4.506 4.350 -0.001 0.000 0.194 341 E C 1.321 177.907 176.600 -0.023 0.000 0.996 341 E CA 0.595 56.976 56.400 -0.033 0.000 0.840 341 E CB -0.191 29.499 29.700 -0.017 0.000 0.772 341 E HN 0.557 nan 8.360 nan 0.000 0.491 342 L N -0.844 120.359 121.223 -0.032 0.000 2.612 342 L HA 0.216 4.556 4.340 -0.001 0.000 0.230 342 L C 1.187 178.062 176.870 0.009 0.000 1.140 342 L CA 0.244 55.080 54.840 -0.006 0.000 0.896 342 L CB 0.251 42.316 42.059 0.011 0.000 1.065 342 L HN 0.227 nan 8.230 nan 0.000 0.447 343 G N 0.544 109.334 108.800 -0.015 0.000 2.147 343 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 343 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 343 G C 0.178 175.155 174.900 0.129 0.000 1.005 343 G CA -0.345 44.797 45.100 0.071 0.000 0.713 343 G HN 0.166 nan 8.290 nan 0.000 0.515 344 I N 0.673 121.206 120.570 -0.061 0.000 2.312 344 I HA 0.449 4.618 4.170 -0.001 0.000 0.291 344 I C -0.216 175.738 176.117 -0.271 0.000 1.031 344 I CA -0.976 60.305 61.300 -0.033 0.000 1.293 344 I CB 0.331 38.336 38.000 0.007 0.000 1.403 344 I HN 0.055 nan 8.210 nan 0.000 0.484 345 Y N 7.490 127.779 120.300 -0.018 0.000 2.350 345 Y HA 0.408 4.958 4.550 -0.001 0.000 0.338 345 Y C -2.013 173.749 175.900 -0.231 0.000 0.961 345 Y CA -2.343 55.707 58.100 -0.084 0.000 1.100 345 Y CB 1.850 40.251 38.460 -0.099 0.000 1.179 345 Y HN 0.424 nan 8.280 nan 0.000 0.454 346 P HA 0.099 nan 4.420 nan 0.000 0.273 346 P C -0.289 177.060 177.300 0.083 0.000 1.250 346 P CA -0.232 63.008 63.100 0.234 0.000 0.793 346 P CB 1.051 33.058 31.700 0.513 0.000 1.011 347 A N 1.307 124.152 122.820 0.043 0.000 2.579 347 A HA 0.240 4.559 4.320 -0.001 0.000 0.273 347 A C 0.514 178.076 177.584 -0.037 0.000 1.363 347 A CA -0.313 51.681 52.037 -0.071 0.000 0.953 347 A CB -1.095 17.839 19.000 -0.109 0.000 1.034 347 A HN 0.326 nan 8.150 nan 0.000 0.536 348 V N 1.234 121.144 119.914 -0.005 0.000 2.673 348 V HA -0.013 4.106 4.120 -0.001 0.000 0.303 348 V C 0.479 176.571 176.094 -0.004 0.000 1.046 348 V CA -0.131 62.163 62.300 -0.009 0.000 1.126 348 V CB 0.806 32.654 31.823 0.042 0.000 0.934 348 V HN 0.539 nan 8.190 nan 0.000 0.487 349 D N 7.446 127.839 120.400 -0.011 0.000 2.339 349 D HA 0.178 4.817 4.640 -0.001 0.000 0.241 349 D C -1.372 174.924 176.300 -0.006 0.000 1.183 349 D CA -1.769 52.224 54.000 -0.012 0.000 0.859 349 D CB 1.956 42.740 40.800 -0.027 0.000 1.067 349 D HN 0.311 nan 8.370 nan 0.000 0.484 350 P HA -0.041 nan 4.420 nan 0.000 0.230 350 P C 1.209 178.500 177.300 -0.015 0.000 1.158 350 P CA 0.532 63.629 63.100 -0.006 0.000 0.769 350 P CB 0.600 32.301 31.700 0.000 0.000 0.807 351 L N -1.480 119.733 121.223 -0.016 0.000 2.609 351 L HA 0.193 4.533 4.340 -0.001 0.000 0.230 351 L C 1.722 178.572 176.870 -0.033 0.000 1.064 351 L CA 0.434 55.260 54.840 -0.023 0.000 0.873 351 L CB -0.318 41.728 42.059 -0.020 0.000 1.139 351 L HN -0.228 nan 8.230 nan 0.000 0.490 352 D N -0.072 120.303 120.400 -0.042 0.000 2.234 352 D HA -0.023 4.616 4.640 -0.001 0.000 0.205 352 D C 0.594 176.854 176.300 -0.065 0.000 0.962 352 D CA 0.563 54.522 54.000 -0.068 0.000 0.855 352 D CB 0.246 40.992 40.800 -0.089 0.000 0.951 352 D HN 0.043 nan 8.370 nan 0.000 0.500 353 S N 0.706 116.389 115.700 -0.028 0.000 2.499 353 S HA 0.385 4.855 4.470 -0.001 0.000 0.275 353 S C 0.143 174.755 174.600 0.020 0.000 1.257 353 S CA -0.363 57.842 58.200 0.009 0.000 1.050 353 S CB 1.297 64.526 63.200 0.048 0.000 0.937 353 S HN 0.020 nan 8.310 nan 0.000 0.490 354 K N 1.149 121.569 120.400 0.034 0.000 2.433 354 K HA 0.728 5.048 4.320 -0.001 0.000 0.252 354 K C -0.657 175.980 176.600 0.062 0.000 1.015 354 K CA -0.662 55.647 56.287 0.036 0.000 0.860 354 K CB 2.030 34.543 32.500 0.021 0.000 1.359 354 K HN 0.479 nan 8.250 nan 0.000 0.452 355 S N -0.239 115.493 115.700 0.054 0.000 2.549 355 S HA 0.318 4.788 4.470 -0.001 0.000 0.280 355 S C 0.018 174.648 174.600 0.050 0.000 1.109 355 S CA -0.714 57.524 58.200 0.063 0.000 0.905 355 S CB 1.624 64.869 63.200 0.075 0.000 1.081 355 S HN 0.695 nan 8.310 nan 0.000 0.477 356 R N 2.677 123.205 120.500 0.047 0.000 2.153 356 R HA 0.251 4.590 4.340 -0.001 0.000 0.218 356 R C 1.154 177.476 176.300 0.036 0.000 1.072 356 R CA 0.854 56.978 56.100 0.040 0.000 0.990 356 R CB -0.144 30.177 30.300 0.033 0.000 0.889 356 R HN 0.714 nan 8.270 nan 0.000 0.452 357 L N 1.140 122.384 121.223 0.034 0.000 2.599 357 L HA 0.036 4.375 4.340 -0.001 0.000 0.230 357 L C 0.527 177.402 176.870 0.008 0.000 1.141 357 L CA -0.091 54.761 54.840 0.019 0.000 0.877 357 L CB -0.037 42.033 42.059 0.019 0.000 1.009 357 L HN 0.165 nan 8.230 nan 0.000 0.447 358 L N 1.720 122.959 121.223 0.027 0.000 2.376 358 L HA 0.153 4.493 4.340 -0.001 0.000 0.250 358 L C -0.564 176.409 176.870 0.173 0.000 1.335 358 L CA 0.515 55.374 54.840 0.032 0.000 1.214 358 L CB -0.699 41.364 42.059 0.006 0.000 1.395 358 L HN 0.051 nan 8.230 nan 0.000 0.424 359 D N 1.448 121.936 120.400 0.146 0.000 2.977 359 D HA 0.438 5.078 4.640 -0.001 0.000 0.220 359 D C 0.850 177.132 176.300 -0.030 0.000 1.267 359 D CA 0.098 54.161 54.000 0.105 0.000 0.884 359 D CB 1.852 42.666 40.800 0.023 0.000 1.667 359 D HN 0.212 nan 8.370 nan 0.000 0.536 360 A N 3.288 125.948 122.820 -0.266 0.000 1.940 360 A HA -0.096 4.224 4.320 -0.001 0.000 0.221 360 A C 2.026 179.546 177.584 -0.108 0.000 1.190 360 A CA 2.375 54.275 52.037 -0.228 0.000 0.647 360 A CB -0.963 17.800 19.000 -0.396 0.000 0.821 360 A HN 0.791 nan 8.150 nan 0.000 0.457 361 A N -1.235 121.523 122.820 -0.104 0.000 2.239 361 A HA 0.282 4.601 4.320 -0.001 0.000 0.209 361 A C 1.705 179.265 177.584 -0.039 0.000 1.171 361 A CA 1.452 53.452 52.037 -0.062 0.000 0.768 361 A CB -0.305 18.660 19.000 -0.058 0.000 0.790 361 A HN 0.586 nan 8.150 nan 0.000 0.478 362 V N -1.567 118.324 119.914 -0.039 0.000 3.359 362 V HA 0.012 4.131 4.120 -0.001 0.000 0.245 362 V C 1.782 177.856 176.094 -0.033 0.000 1.247 362 V CA 1.064 63.346 62.300 -0.030 0.000 1.145 362 V CB 0.297 32.105 31.823 -0.026 0.000 0.906 362 V HN 0.466 nan 8.190 nan 0.000 0.464 363 V N -2.181 117.702 119.914 -0.051 0.000 3.556 363 V HA 0.829 4.948 4.120 -0.001 0.000 0.287 363 V C 0.777 176.891 176.094 0.033 0.000 1.422 363 V CA 0.139 62.393 62.300 -0.076 0.000 1.038 363 V CB -0.198 31.396 31.823 -0.382 0.000 0.850 363 V HN 0.964 nan 8.190 nan 0.000 0.437 364 G N 0.991 109.809 108.800 0.030 0.000 2.692 364 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.686 364 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.686 364 G C -0.118 174.832 174.900 0.085 0.000 1.243 364 G CA 0.271 45.407 45.100 0.059 0.000 0.782 364 G HN 0.487 nan 8.290 nan 0.000 0.625 365 Q N 0.028 119.862 119.800 0.058 0.000 2.124 365 Q HA -0.031 4.308 4.340 -0.001 0.000 0.202 365 Q C 2.375 178.465 176.000 0.150 0.000 0.977 365 Q CA 2.854 58.696 55.803 0.065 0.000 0.850 365 Q CB -0.100 28.654 28.738 0.026 0.000 0.901 365 Q HN 0.801 nan 8.270 nan 0.000 0.429 366 E N -0.741 119.543 120.200 0.140 0.000 2.007 366 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 366 E C 1.958 178.681 176.600 0.206 0.000 0.999 366 E CA 1.159 57.648 56.400 0.148 0.000 0.811 366 E CB -0.557 29.210 29.700 0.112 0.000 0.762 366 E HN 0.485 nan 8.360 nan 0.000 0.450 367 H N 0.752 119.880 119.070 0.098 0.000 2.292 367 H HA -0.249 4.306 4.556 -0.001 0.000 0.292 367 H C 2.000 177.388 175.328 0.099 0.000 1.100 367 H CA 2.188 58.288 56.048 0.086 0.000 1.238 367 H CB -0.748 29.059 29.762 0.076 0.000 1.355 367 H HN 0.274 nan 8.280 nan 0.000 0.484 368 Y N 1.474 121.882 120.300 0.180 0.000 2.114 368 Y HA -0.237 4.312 4.550 -0.001 0.000 0.282 368 Y C 2.221 178.172 175.900 0.085 0.000 1.165 368 Y CA 2.282 60.427 58.100 0.076 0.000 1.148 368 Y CB -0.293 38.176 38.460 0.016 0.000 0.972 368 Y HN 0.222 nan 8.280 nan 0.000 0.504 369 D N -0.625 119.932 120.400 0.262 0.000 2.178 369 D HA -0.155 4.484 4.640 -0.001 0.000 0.202 369 D C 2.347 178.685 176.300 0.062 0.000 0.974 369 D CA 1.507 55.600 54.000 0.156 0.000 0.841 369 D CB -0.398 40.509 40.800 0.179 0.000 0.953 369 D HN 0.328 nan 8.370 nan 0.000 0.478 370 V N 1.530 121.492 119.914 0.081 0.000 2.229 370 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 370 V C 2.606 178.696 176.094 -0.006 0.000 1.042 370 V CA 1.856 64.191 62.300 0.059 0.000 1.000 370 V CB -1.124 30.741 31.823 0.069 0.000 0.637 370 V HN 0.180 nan 8.190 nan 0.000 0.446 371 A N 0.179 122.984 122.820 -0.025 0.000 1.927 371 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 371 A C 2.469 179.963 177.584 -0.149 0.000 1.185 371 A CA 2.698 54.678 52.037 -0.095 0.000 0.639 371 A CB -0.950 18.029 19.000 -0.035 0.000 0.820 371 A HN 0.542 nan 8.150 nan 0.000 0.451 372 S N -0.710 114.857 115.700 -0.221 0.000 2.353 372 S HA -0.174 4.295 4.470 -0.001 0.000 0.222 372 S C 2.018 176.554 174.600 -0.107 0.000 1.035 372 S CA 1.666 59.719 58.200 -0.245 0.000 1.025 372 S CB -0.254 62.738 63.200 -0.346 0.000 0.902 372 S HN 0.668 nan 8.310 nan 0.000 0.440 373 K N 0.893 121.261 120.400 -0.053 0.000 2.155 373 K HA 0.025 4.344 4.320 -0.001 0.000 0.203 373 K C 1.938 178.539 176.600 0.001 0.000 1.052 373 K CA 0.577 56.859 56.287 -0.008 0.000 0.948 373 K CB -0.121 32.392 32.500 0.022 0.000 0.728 373 K HN 0.146 nan 8.250 nan 0.000 0.448 374 V N 1.539 121.446 119.914 -0.011 0.000 2.332 374 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 374 V C 2.198 178.278 176.094 -0.025 0.000 1.055 374 V CA 1.821 64.114 62.300 -0.011 0.000 1.038 374 V CB -0.400 31.365 31.823 -0.096 0.000 0.651 374 V HN 0.419 nan 8.190 nan 0.000 0.450 375 Q N -0.951 118.818 119.800 -0.051 0.000 2.123 375 Q HA -0.163 4.177 4.340 -0.001 0.000 0.199 375 Q C 2.383 178.373 176.000 -0.017 0.000 0.966 375 Q CA 1.202 56.979 55.803 -0.043 0.000 0.845 375 Q CB -0.066 28.630 28.738 -0.070 0.000 0.907 375 Q HN 0.642 nan 8.270 nan 0.000 0.439 376 E N -0.256 119.934 120.200 -0.016 0.000 2.152 376 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 376 E C 1.511 178.124 176.600 0.022 0.000 0.983 376 E CA 1.096 57.496 56.400 0.001 0.000 0.818 376 E CB 0.308 30.007 29.700 -0.001 0.000 0.758 376 E HN 0.301 nan 8.360 nan 0.000 0.467 377 T N 1.437 116.008 114.554 0.028 0.000 2.737 377 T HA -0.092 4.257 4.350 -0.001 0.000 0.265 377 T C 1.940 176.688 174.700 0.080 0.000 1.038 377 T CA 0.721 62.849 62.100 0.045 0.000 1.144 377 T CB -0.139 68.751 68.868 0.036 0.000 0.866 377 T HN 0.143 nan 8.240 nan 0.000 0.434 378 L N 0.735 122.006 121.223 0.079 0.000 2.201 378 L HA -0.100 4.240 4.340 -0.001 0.000 0.212 378 L C 2.817 179.757 176.870 0.116 0.000 1.105 378 L CA 0.921 55.840 54.840 0.131 0.000 0.775 378 L CB -0.383 41.730 42.059 0.091 0.000 0.913 378 L HN 0.208 nan 8.230 nan 0.000 0.440 379 Q N 0.064 119.900 119.800 0.060 0.000 2.020 379 Q HA -0.152 4.188 4.340 -0.001 0.000 0.198 379 Q C 2.254 178.275 176.000 0.035 0.000 0.974 379 Q CA 2.442 58.262 55.803 0.030 0.000 0.829 379 Q CB -0.382 28.363 28.738 0.011 0.000 0.894 379 Q HN 0.540 nan 8.270 nan 0.000 0.433 380 T N -1.065 113.523 114.554 0.056 0.000 2.759 380 T HA -0.218 4.132 4.350 -0.001 0.000 0.269 380 T C 1.631 176.392 174.700 0.103 0.000 1.042 380 T CA 1.443 63.580 62.100 0.061 0.000 1.140 380 T CB -0.819 68.086 68.868 0.061 0.000 0.864 380 T HN 0.363 nan 8.240 nan 0.000 0.455 381 Y N 2.623 122.921 120.300 -0.003 0.000 2.145 381 Y HA -0.017 4.532 4.550 -0.001 0.000 0.286 381 Y C 2.487 178.383 175.900 -0.005 0.000 1.145 381 Y CA 1.278 59.376 58.100 -0.003 0.000 1.148 381 Y CB -0.487 37.972 38.460 -0.002 0.000 0.981 381 Y HN 0.143 nan 8.280 nan 0.000 0.507 382 K N -0.122 120.173 120.400 -0.175 0.000 2.063 382 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 382 K C 1.866 178.357 176.600 -0.181 0.000 1.048 382 K CA 1.806 57.940 56.287 -0.254 0.000 0.928 382 K CB -0.307 32.120 32.500 -0.121 0.000 0.713 382 K HN 0.467 nan 8.250 nan 0.000 0.442 383 S N 0.183 115.826 115.700 -0.094 0.000 2.603 383 S HA 0.063 4.532 4.470 -0.001 0.000 0.220 383 S C 1.502 176.069 174.600 -0.055 0.000 0.967 383 S CA 0.135 58.296 58.200 -0.064 0.000 0.920 383 S CB 0.056 63.236 63.200 -0.033 0.000 0.773 383 S HN 0.270 nan 8.310 nan 0.000 0.529 384 L N 0.505 121.687 121.223 -0.068 0.000 2.664 384 L HA 0.199 4.538 4.340 -0.001 0.000 0.233 384 L C 2.234 179.064 176.870 -0.068 0.000 1.113 384 L CA -0.021 54.800 54.840 -0.032 0.000 0.896 384 L CB -0.128 41.957 42.059 0.043 0.000 1.163 384 L HN 0.228 nan 8.230 nan 0.000 0.497 385 Q N 0.510 120.210 119.800 -0.166 0.000 2.170 385 Q HA -0.183 4.156 4.340 -0.001 0.000 0.203 385 Q C 1.145 177.093 176.000 -0.086 0.000 0.976 385 Q CA 1.370 57.069 55.803 -0.173 0.000 0.858 385 Q CB -0.076 28.509 28.738 -0.255 0.000 0.907 385 Q HN 0.568 nan 8.270 nan 0.000 0.433 386 D N 0.873 121.230 120.400 -0.072 0.000 2.183 386 D HA -0.095 4.545 4.640 -0.001 0.000 0.203 386 D C 2.086 178.370 176.300 -0.028 0.000 0.969 386 D CA 0.861 54.833 54.000 -0.046 0.000 0.842 386 D CB -0.221 40.554 40.800 -0.042 0.000 0.957 386 D HN 0.464 nan 8.370 nan 0.000 0.484 387 I N -1.940 118.616 120.570 -0.022 0.000 2.716 387 I HA -0.068 4.101 4.170 -0.001 0.000 0.259 387 I C 1.805 177.920 176.117 -0.002 0.000 1.172 387 I CA 0.412 61.706 61.300 -0.009 0.000 1.478 387 I CB -0.092 37.906 38.000 -0.004 0.000 1.104 387 I HN -0.228 nan 8.210 nan 0.000 0.439 388 I N 2.483 123.053 120.570 -0.000 0.000 2.439 388 I HA -0.115 4.055 4.170 -0.001 0.000 0.251 388 I C 2.907 179.027 176.117 0.004 0.000 1.139 388 I CA 1.442 62.749 61.300 0.011 0.000 1.438 388 I CB -1.516 36.502 38.000 0.030 0.000 1.085 388 I HN 0.346 nan 8.210 nan 0.000 0.427 389 A N 0.381 123.197 122.820 -0.007 0.000 2.014 389 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 389 A C 2.283 179.863 177.584 -0.006 0.000 1.163 389 A CA 1.284 53.315 52.037 -0.009 0.000 0.652 389 A CB -0.250 18.740 19.000 -0.018 0.000 0.808 389 A HN 0.412 nan 8.150 nan 0.000 0.449 390 I N -2.247 118.319 120.570 -0.006 0.000 3.673 390 I HA 0.090 4.259 4.170 -0.001 0.000 0.281 390 I C 2.065 178.181 176.117 -0.002 0.000 1.182 390 I CA 0.174 61.471 61.300 -0.005 0.000 1.391 390 I CB -0.062 37.933 38.000 -0.007 0.000 1.383 390 I HN 0.153 nan 8.210 nan 0.000 0.456 391 L N 0.420 121.643 121.223 -0.001 0.000 2.062 391 L HA 0.309 4.648 4.340 -0.001 0.000 0.202 391 L C 0.882 177.754 176.870 0.004 0.000 1.079 391 L CA 0.954 55.795 54.840 0.002 0.000 0.755 391 L CB -0.303 41.758 42.059 0.002 0.000 0.913 391 L HN 0.385 nan 8.230 nan 0.000 0.445 392 G N -2.642 106.162 108.800 0.007 0.000 2.337 392 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.310 392 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.310 392 G C -0.216 174.692 174.900 0.014 0.000 1.534 392 G CA -0.573 44.532 45.100 0.009 0.000 0.982 392 G HN -0.167 nan 8.290 nan 0.000 0.672 393 M N -0.028 119.582 119.600 0.017 0.000 2.358 393 M HA -0.022 4.458 4.480 -0.001 0.000 0.264 393 M C 1.480 177.791 176.300 0.019 0.000 1.064 393 M CA 1.561 56.875 55.300 0.022 0.000 1.093 393 M CB -0.486 32.127 32.600 0.022 0.000 1.401 393 M HN 0.592 nan 8.290 nan 0.000 0.440 394 D N 0.042 120.450 120.400 0.013 0.000 2.355 394 D HA -0.043 4.597 4.640 -0.001 0.000 0.218 394 D C 0.370 176.676 176.300 0.011 0.000 1.004 394 D CA 0.511 54.517 54.000 0.011 0.000 0.880 394 D CB 0.055 40.860 40.800 0.008 0.000 0.911 394 D HN 0.278 nan 8.370 nan 0.000 0.528 395 E N 0.980 121.187 120.200 0.012 0.000 2.325 395 E HA 0.218 4.568 4.350 -0.001 0.000 0.295 395 E C -0.044 176.564 176.600 0.013 0.000 1.461 395 E CA 0.031 56.437 56.400 0.011 0.000 1.698 395 E CB 0.377 30.082 29.700 0.009 0.000 1.496 395 E HN 0.323 nan 8.360 nan 0.000 0.474 396 L N 0.310 121.542 121.223 0.014 0.000 2.424 396 L HA 0.266 4.606 4.340 -0.001 0.000 0.258 396 L C 0.395 177.273 176.870 0.014 0.000 0.995 396 L CA -0.981 53.869 54.840 0.017 0.000 0.821 396 L CB 2.177 44.249 42.059 0.023 0.000 1.383 396 L HN 0.115 nan 8.230 nan 0.000 0.410 397 S N -0.317 115.391 115.700 0.014 0.000 2.600 397 S HA 0.155 4.624 4.470 -0.001 0.000 0.265 397 S C 0.846 175.453 174.600 0.011 0.000 1.325 397 S CA -0.570 57.637 58.200 0.012 0.000 1.002 397 S CB 1.152 64.359 63.200 0.012 0.000 0.921 397 S HN 0.660 nan 8.310 nan 0.000 0.554 398 E N 0.756 120.961 120.200 0.009 0.000 2.086 398 E HA -0.266 4.084 4.350 -0.001 0.000 0.205 398 E C 1.885 178.490 176.600 0.008 0.000 1.027 398 E CA 1.725 58.129 56.400 0.008 0.000 0.830 398 E CB -0.347 29.357 29.700 0.006 0.000 0.751 398 E HN 0.823 nan 8.360 nan 0.000 0.456 399 Q N 0.534 120.340 119.800 0.010 0.000 2.245 399 Q HA -0.133 4.206 4.340 -0.001 0.000 0.201 399 Q C 0.886 176.893 176.000 0.013 0.000 0.955 399 Q CA 1.184 56.994 55.803 0.011 0.000 0.870 399 Q CB 0.146 28.891 28.738 0.012 0.000 0.945 399 Q HN 0.183 nan 8.270 nan 0.000 0.461 400 D N 0.237 120.646 120.400 0.016 0.000 2.249 400 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 400 D C 1.586 177.899 176.300 0.022 0.000 0.962 400 D CA 0.968 54.982 54.000 0.023 0.000 0.860 400 D CB 0.111 40.927 40.800 0.027 0.000 0.955 400 D HN 0.393 nan 8.370 nan 0.000 0.505 401 K N 0.313 120.722 120.400 0.016 0.000 2.366 401 K HA -0.000 4.319 4.320 -0.001 0.000 0.198 401 K C 1.667 178.268 176.600 0.002 0.000 1.044 401 K CA 0.516 56.811 56.287 0.012 0.000 0.973 401 K CB 0.023 32.530 32.500 0.011 0.000 0.767 401 K HN 0.082 nan 8.250 nan 0.000 0.475 402 L N 1.936 123.160 121.223 0.001 0.000 2.202 402 L HA 0.020 4.360 4.340 -0.001 0.000 0.205 402 L C 1.985 178.845 176.870 -0.017 0.000 1.083 402 L CA 1.762 56.598 54.840 -0.007 0.000 0.790 402 L CB -0.294 41.765 42.059 -0.001 0.000 0.942 402 L HN 0.406 nan 8.230 nan 0.000 0.452 403 T N -4.577 109.972 114.554 -0.009 0.000 3.088 403 T HA 0.025 4.374 4.350 -0.001 0.000 0.259 403 T C 1.723 176.397 174.700 -0.044 0.000 1.122 403 T CA 0.879 62.969 62.100 -0.016 0.000 1.095 403 T CB -0.486 68.387 68.868 0.008 0.000 0.930 403 T HN 0.099 nan 8.240 nan 0.000 0.508 404 V N 1.655 121.545 119.914 -0.040 0.000 2.407 404 V HA -0.048 4.071 4.120 -0.001 0.000 0.245 404 V C 2.780 178.755 176.094 -0.200 0.000 1.041 404 V CA 1.667 63.903 62.300 -0.107 0.000 1.040 404 V CB -0.480 31.356 31.823 0.021 0.000 0.671 404 V HN 0.549 nan 8.190 nan 0.000 0.455 405 E N 0.297 120.432 120.200 -0.109 0.000 2.160 405 E HA -0.290 4.059 4.350 -0.001 0.000 0.195 405 E C 2.331 178.851 176.600 -0.135 0.000 0.991 405 E CA 1.446 57.785 56.400 -0.103 0.000 0.810 405 E CB 0.089 29.759 29.700 -0.050 0.000 0.742 405 E HN 0.417 nan 8.360 nan 0.000 0.466 406 R N 0.019 120.444 120.500 -0.124 0.000 2.062 406 R HA 0.028 4.367 4.340 -0.001 0.000 0.226 406 R C 2.254 178.448 176.300 -0.177 0.000 1.125 406 R CA 1.413 57.437 56.100 -0.126 0.000 0.966 406 R CB -0.430 29.832 30.300 -0.063 0.000 0.861 406 R HN 0.189 nan 8.270 nan 0.000 0.433 407 A N 0.774 123.475 122.820 -0.198 0.000 1.865 407 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 407 A C 2.052 179.446 177.584 -0.318 0.000 1.191 407 A CA 1.657 53.553 52.037 -0.233 0.000 0.623 407 A CB -0.557 18.272 19.000 -0.285 0.000 0.826 407 A HN 0.298 nan 8.150 nan 0.000 0.444 408 R N -0.428 119.793 120.500 -0.465 0.000 2.185 408 R HA -0.200 4.140 4.340 -0.001 0.000 0.247 408 R C 2.106 178.280 176.300 -0.211 0.000 1.159 408 R CA 1.916 57.809 56.100 -0.344 0.000 0.988 408 R CB -0.253 29.875 30.300 -0.287 0.000 0.871 408 R HN 0.581 nan 8.270 nan 0.000 0.458 409 K N 0.055 120.280 120.400 -0.292 0.000 2.063 409 K HA 0.034 4.353 4.320 -0.001 0.000 0.204 409 K C 2.097 178.407 176.600 -0.483 0.000 1.039 409 K CA 0.780 56.750 56.287 -0.527 0.000 0.957 409 K CB -0.090 31.920 32.500 -0.817 0.000 0.764 409 K HN 0.015 nan 8.250 nan 0.000 0.447 410 I N 2.012 122.411 120.570 -0.285 0.000 2.143 410 I HA -0.424 3.745 4.170 -0.001 0.000 0.245 410 I C 2.866 179.088 176.117 0.174 0.000 1.068 410 I CA 1.586 62.918 61.300 0.053 0.000 1.326 410 I CB -0.386 37.699 38.000 0.141 0.000 1.028 410 I HN 0.325 nan 8.210 nan 0.000 0.412 411 Q N 1.048 120.888 119.800 0.066 0.000 2.014 411 Q HA -0.267 4.072 4.340 -0.001 0.000 0.207 411 Q C 2.388 178.485 176.000 0.162 0.000 0.993 411 Q CA 1.965 57.831 55.803 0.106 0.000 0.850 411 Q CB -0.066 28.713 28.738 0.067 0.000 0.916 411 Q HN 0.460 nan 8.270 nan 0.000 0.417 412 R N -0.745 119.851 120.500 0.161 0.000 2.189 412 R HA -0.105 4.234 4.340 -0.001 0.000 0.223 412 R C 2.030 178.553 176.300 0.373 0.000 1.092 412 R CA 0.826 57.099 56.100 0.287 0.000 0.989 412 R CB -0.214 30.275 30.300 0.316 0.000 0.876 412 R HN 0.268 nan 8.270 nan 0.000 0.457 413 F N 0.915 120.943 119.950 0.130 0.000 2.456 413 F HA 0.055 4.581 4.527 -0.001 0.000 0.298 413 F C 1.496 177.432 175.800 0.227 0.000 1.104 413 F CA 0.683 58.772 58.000 0.148 0.000 1.435 413 F CB -0.014 38.943 39.000 -0.071 0.000 1.078 413 F HN -0.096 nan 8.300 nan 0.000 0.546 414 L N -0.279 121.111 121.223 0.279 0.000 2.395 414 L HA -0.018 4.321 4.340 -0.001 0.000 0.218 414 L C 1.448 178.358 176.870 0.066 0.000 1.130 414 L CA 0.388 55.318 54.840 0.150 0.000 0.826 414 L CB -0.663 41.468 42.059 0.120 0.000 0.941 414 L HN 0.081 nan 8.230 nan 0.000 0.451 415 S N -0.220 115.524 115.700 0.072 0.000 2.584 415 S HA 0.235 4.705 4.470 -0.001 0.000 0.270 415 S C -0.283 174.266 174.600 -0.084 0.000 1.346 415 S CA -0.449 57.738 58.200 -0.023 0.000 1.018 415 S CB 1.506 64.671 63.200 -0.058 0.000 0.899 415 S HN 0.292 nan 8.310 nan 0.000 0.542 416 Q N 0.857 120.535 119.800 -0.204 0.000 2.295 416 Q HA 0.420 4.759 4.340 -0.001 0.000 0.268 416 Q C -3.084 172.683 176.000 -0.389 0.000 1.010 416 Q CA -1.996 53.672 55.803 -0.224 0.000 0.856 416 Q CB 2.288 30.945 28.738 -0.134 0.000 1.349 416 Q HN 0.554 nan 8.270 nan 0.000 0.412 417 P HA 0.192 nan 4.420 nan 0.000 0.282 417 P C -1.065 176.210 177.300 -0.041 0.000 1.262 417 P CA -0.056 62.936 63.100 -0.179 0.000 0.773 417 P CB 0.269 31.917 31.700 -0.087 0.000 0.879 418 F N 1.684 121.633 119.950 -0.003 0.000 2.385 418 F HA 0.374 4.900 4.527 -0.001 0.000 0.336 418 F C 1.774 177.566 175.800 -0.014 0.000 1.100 418 F CA -1.093 56.901 58.000 -0.009 0.000 1.116 418 F CB 0.433 39.436 39.000 0.004 0.000 1.166 418 F HN 0.386 nan 8.300 nan 0.000 0.511 419 A N 2.273 125.203 122.820 0.184 0.000 1.898 419 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 419 A C 2.084 179.696 177.584 0.046 0.000 1.181 419 A CA 2.031 54.110 52.037 0.069 0.000 0.620 419 A CB -1.058 17.952 19.000 0.017 0.000 0.819 419 A HN 0.679 nan 8.150 nan 0.000 0.442 420 V N -2.904 117.036 119.914 0.043 0.000 2.667 420 V HA 0.118 4.238 4.120 -0.001 0.000 0.252 420 V C 2.242 178.387 176.094 0.084 0.000 1.065 420 V CA 1.531 63.848 62.300 0.029 0.000 1.083 420 V CB -1.163 30.658 31.823 -0.003 0.000 0.692 420 V HN 0.486 nan 8.190 nan 0.000 0.468 421 A N -0.054 122.860 122.820 0.157 0.000 2.259 421 A HA 0.070 4.390 4.320 -0.001 0.000 0.208 421 A C 2.090 179.761 177.584 0.145 0.000 1.201 421 A CA 0.853 53.028 52.037 0.229 0.000 0.824 421 A CB -0.611 18.520 19.000 0.219 0.000 0.838 421 A HN 0.691 nan 8.150 nan 0.000 0.485 422 E N 0.252 120.483 120.200 0.053 0.000 2.150 422 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 422 E C 1.903 178.469 176.600 -0.056 0.000 0.985 422 E CA 1.539 57.942 56.400 0.005 0.000 0.814 422 E CB -0.187 29.508 29.700 -0.009 0.000 0.752 422 E HN 0.568 nan 8.360 nan 0.000 0.466 423 V N -1.445 118.371 119.914 -0.163 0.000 2.594 423 V HA -0.200 3.920 4.120 -0.001 0.000 0.253 423 V C 1.746 177.611 176.094 -0.381 0.000 1.069 423 V CA 1.540 63.639 62.300 -0.334 0.000 1.082 423 V CB -0.836 30.671 31.823 -0.527 0.000 0.680 423 V HN 0.212 nan 8.190 nan 0.000 0.469 424 F N 1.543 121.480 119.950 -0.022 0.000 2.656 424 F HA 0.123 4.650 4.527 -0.001 0.000 0.291 424 F C 2.521 178.304 175.800 -0.028 0.000 1.122 424 F CA 0.962 58.947 58.000 -0.026 0.000 1.427 424 F CB -0.059 38.920 39.000 -0.035 0.000 1.125 424 F HN 0.317 nan 8.300 nan 0.000 0.583 425 T N -4.409 110.219 114.554 0.124 0.000 3.038 425 T HA 0.435 4.784 4.350 -0.001 0.000 0.244 425 T C 1.983 176.704 174.700 0.036 0.000 1.016 425 T CA 0.720 62.860 62.100 0.067 0.000 1.098 425 T CB 0.316 69.208 68.868 0.040 0.000 0.954 425 T HN 0.309 nan 8.240 nan 0.000 0.469 426 G N 1.693 110.503 108.800 0.017 0.000 2.320 426 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.242 426 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.242 426 G C 0.002 174.904 174.900 0.004 0.000 1.033 426 G CA 0.021 45.124 45.100 0.005 0.000 0.620 426 G HN 0.632 nan 8.290 nan 0.000 0.517 427 I N 4.612 125.187 120.570 0.009 0.000 2.517 427 I HA 0.304 4.474 4.170 -0.001 0.000 0.285 427 I C -1.394 174.724 176.117 0.001 0.000 1.106 427 I CA -1.881 59.421 61.300 0.003 0.000 1.402 427 I CB 0.623 38.622 38.000 -0.002 0.000 1.399 427 I HN -0.026 nan 8.210 nan 0.000 0.535 428 P HA 0.096 nan 4.420 nan 0.000 0.268 428 P C 0.066 177.370 177.300 0.005 0.000 1.205 428 P CA -0.217 62.882 63.100 -0.001 0.000 0.771 428 P CB 0.544 32.240 31.700 -0.007 0.000 0.858 429 G N 2.776 111.586 108.800 0.017 0.000 2.377 429 G HA2 0.375 4.334 3.960 -0.001 0.000 0.299 429 G HA3 0.375 4.334 3.960 -0.001 0.000 0.299 429 G C -0.472 174.448 174.900 0.034 0.000 1.150 429 G CA -0.564 44.561 45.100 0.041 0.000 0.847 429 G HN 0.270 nan 8.290 nan 0.000 0.501 430 K N 1.674 122.102 120.400 0.046 0.000 2.159 430 K HA 0.335 4.654 4.320 -0.001 0.000 0.266 430 K C -0.984 175.647 176.600 0.053 0.000 0.975 430 K CA -0.662 55.646 56.287 0.034 0.000 0.865 430 K CB 2.745 35.259 32.500 0.022 0.000 1.087 430 K HN 0.366 nan 8.250 nan 0.000 0.446 431 L N 3.279 124.515 121.223 0.021 0.000 2.301 431 L HA 0.249 4.589 4.340 -0.001 0.000 0.278 431 L C -1.027 175.842 176.870 -0.002 0.000 1.022 431 L CA -0.855 53.987 54.840 0.003 0.000 0.854 431 L CB 1.100 43.139 42.059 -0.033 0.000 1.226 431 L HN 0.241 nan 8.230 nan 0.000 0.429 432 V N 5.373 125.291 119.914 0.006 0.000 2.368 432 V HA 0.365 4.484 4.120 -0.001 0.000 0.266 432 V C 0.703 176.796 176.094 -0.003 0.000 1.045 432 V CA -0.716 61.587 62.300 0.005 0.000 0.899 432 V CB 0.847 32.673 31.823 0.005 0.000 1.006 432 V HN 0.682 nan 8.190 nan 0.000 0.470 433 R N 2.240 122.741 120.500 0.002 0.000 2.734 433 R HA 0.065 4.405 4.340 -0.001 0.000 0.266 433 R C 1.189 177.494 176.300 0.007 0.000 1.044 433 R CA -0.191 55.913 56.100 0.007 0.000 1.128 433 R CB 0.572 30.879 30.300 0.013 0.000 1.010 433 R HN 0.649 nan 8.270 nan 0.000 0.461 434 L N 3.852 125.083 121.223 0.013 0.000 2.017 434 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 434 L C 1.912 178.771 176.870 -0.019 0.000 1.073 434 L CA 1.925 56.765 54.840 0.000 0.000 0.745 434 L CB -0.204 41.876 42.059 0.036 0.000 0.894 434 L HN 0.461 nan 8.230 nan 0.000 0.432 435 K N -0.345 120.059 120.400 0.006 0.000 2.063 435 K HA -0.211 4.108 4.320 -0.001 0.000 0.208 435 K C 1.977 178.586 176.600 0.016 0.000 1.048 435 K CA 1.635 57.928 56.287 0.010 0.000 0.928 435 K CB -1.067 31.447 32.500 0.024 0.000 0.713 435 K HN 0.452 nan 8.250 nan 0.000 0.442 436 D N 0.805 121.219 120.400 0.023 0.000 2.106 436 D HA -0.124 4.515 4.640 -0.001 0.000 0.191 436 D C 1.701 178.036 176.300 0.058 0.000 0.997 436 D CA 1.824 55.847 54.000 0.039 0.000 0.834 436 D CB -0.013 40.807 40.800 0.033 0.000 0.956 436 D HN 0.238 nan 8.370 nan 0.000 0.448 437 T N 0.365 114.942 114.554 0.037 0.000 2.788 437 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 437 T C 2.233 177.005 174.700 0.120 0.000 1.044 437 T CA 0.894 63.038 62.100 0.074 0.000 1.139 437 T CB -0.308 68.556 68.868 -0.007 0.000 0.867 437 T HN -0.009 nan 8.240 nan 0.000 0.454 438 V N 1.750 121.657 119.914 -0.013 0.000 2.307 438 V HA -0.095 4.024 4.120 -0.001 0.000 0.245 438 V C 2.974 179.119 176.094 0.085 0.000 1.045 438 V CA 1.583 63.857 62.300 -0.044 0.000 1.024 438 V CB -1.306 30.422 31.823 -0.159 0.000 0.651 438 V HN 0.528 nan 8.190 nan 0.000 0.449 439 A N -0.109 122.759 122.820 0.081 0.000 1.902 439 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 439 A C 2.488 180.159 177.584 0.145 0.000 1.181 439 A CA 2.238 54.336 52.037 0.102 0.000 0.623 439 A CB -0.755 18.291 19.000 0.077 0.000 0.818 439 A HN 0.501 nan 8.150 nan 0.000 0.443 440 S N -0.816 114.983 115.700 0.165 0.000 2.359 440 S HA -0.135 4.335 4.470 -0.001 0.000 0.224 440 S C 1.607 176.331 174.600 0.205 0.000 1.035 440 S CA 1.674 59.986 58.200 0.187 0.000 1.018 440 S CB -0.519 62.837 63.200 0.261 0.000 0.876 440 S HN 0.557 nan 8.310 nan 0.000 0.448 441 F N 1.486 121.563 119.950 0.212 0.000 2.293 441 F HA 0.115 4.642 4.527 -0.001 0.000 0.297 441 F C 2.292 178.172 175.800 0.134 0.000 1.089 441 F CA 0.749 58.865 58.000 0.194 0.000 1.377 441 F CB -0.174 38.877 39.000 0.085 0.000 1.051 441 F HN 0.057 nan 8.300 nan 0.000 0.511 442 K N 0.495 121.054 120.400 0.264 0.000 2.103 442 K HA -0.190 4.129 4.320 -0.001 0.000 0.207 442 K C 2.210 178.910 176.600 0.165 0.000 1.048 442 K CA 1.234 57.629 56.287 0.179 0.000 0.930 442 K CB -0.241 32.339 32.500 0.134 0.000 0.716 442 K HN 0.232 nan 8.250 nan 0.000 0.444 443 A N 0.350 123.281 122.820 0.185 0.000 1.930 443 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 443 A C 2.166 179.904 177.584 0.256 0.000 1.175 443 A CA 1.323 53.493 52.037 0.223 0.000 0.627 443 A CB -0.363 18.830 19.000 0.321 0.000 0.815 443 A HN 0.159 nan 8.150 nan 0.000 0.443 444 V N -0.043 120.008 119.914 0.228 0.000 2.379 444 V HA -0.196 3.923 4.120 -0.001 0.000 0.245 444 V C 2.496 178.667 176.094 0.128 0.000 1.044 444 V CA 1.647 64.061 62.300 0.190 0.000 1.036 444 V CB -0.718 31.135 31.823 0.050 0.000 0.664 444 V HN 0.557 nan 8.190 nan 0.000 0.453 445 L N -0.131 121.174 121.223 0.136 0.000 2.127 445 L HA -0.226 4.113 4.340 -0.001 0.000 0.211 445 L C 2.447 179.363 176.870 0.077 0.000 1.089 445 L CA 1.641 56.545 54.840 0.106 0.000 0.757 445 L CB -0.453 41.680 42.059 0.122 0.000 0.899 445 L HN 0.419 nan 8.230 nan 0.000 0.434 446 E N -0.526 119.722 120.200 0.080 0.000 2.358 446 E HA 0.008 4.358 4.350 -0.001 0.000 0.195 446 E C 1.170 177.790 176.600 0.032 0.000 1.010 446 E CA 0.551 56.982 56.400 0.052 0.000 0.856 446 E CB 0.137 29.866 29.700 0.049 0.000 0.795 446 E HN 0.507 nan 8.360 nan 0.000 0.504 447 G N 1.530 110.357 108.800 0.044 0.000 2.164 447 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.212 447 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.212 447 G C 0.559 175.448 174.900 -0.020 0.000 1.031 447 G CA 0.251 45.366 45.100 0.024 0.000 0.730 447 G HN 0.180 nan 8.290 nan 0.000 0.501 448 K N -1.138 119.235 120.400 -0.046 0.000 2.366 448 K HA 0.149 4.468 4.320 -0.001 0.000 0.198 448 K C 0.630 176.917 176.600 -0.522 0.000 1.044 448 K CA 0.897 57.003 56.287 -0.302 0.000 0.973 448 K CB 0.117 32.365 32.500 -0.419 0.000 0.767 448 K HN 0.576 nan 8.250 nan 0.000 0.475 449 Y N -0.118 120.193 120.300 0.018 0.000 2.698 449 Y HA 0.128 4.677 4.550 -0.001 0.000 0.261 449 Y C 0.406 176.346 175.900 0.065 0.000 1.104 449 Y CA -0.665 57.458 58.100 0.038 0.000 1.145 449 Y CB 0.524 39.026 38.460 0.070 0.000 1.191 449 Y HN -0.025 nan 8.280 nan 0.000 0.564 450 D N 0.436 120.899 120.400 0.106 0.000 2.219 450 D HA -0.152 4.488 4.640 -0.001 0.000 0.205 450 D C 1.681 178.020 176.300 0.066 0.000 0.970 450 D CA 1.109 55.153 54.000 0.073 0.000 0.851 450 D CB -0.022 40.793 40.800 0.026 0.000 0.943 450 D HN 0.501 nan 8.370 nan 0.000 0.488 451 N N 1.216 119.944 118.700 0.047 0.000 2.244 451 N HA -0.145 4.595 4.740 -0.001 0.000 0.183 451 N C 0.860 176.403 175.510 0.056 0.000 1.016 451 N CA 0.391 53.460 53.050 0.033 0.000 0.866 451 N CB -0.389 38.099 38.487 0.001 0.000 0.980 451 N HN 0.142 nan 8.380 nan 0.000 0.430 452 I N 3.338 123.968 120.570 0.101 0.000 2.618 452 I HA 0.094 4.264 4.170 -0.001 0.000 0.284 452 I C -1.820 174.363 176.117 0.110 0.000 1.146 452 I CA -1.509 59.838 61.300 0.078 0.000 1.425 452 I CB -0.008 38.020 38.000 0.045 0.000 1.383 452 I HN 0.054 nan 8.210 nan 0.000 0.562 453 P HA 0.103 nan 4.420 nan 0.000 0.272 453 P C 0.416 177.814 177.300 0.163 0.000 1.240 453 P CA -0.234 62.919 63.100 0.089 0.000 0.791 453 P CB 1.022 32.755 31.700 0.055 0.000 0.978 454 E N -0.297 120.011 120.200 0.180 0.000 2.150 454 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 454 E C 1.567 178.358 176.600 0.319 0.000 0.985 454 E CA 0.943 57.499 56.400 0.259 0.000 0.814 454 E CB -0.329 29.450 29.700 0.131 0.000 0.752 454 E HN 0.547 nan 8.360 nan 0.000 0.466 455 H N -0.104 119.022 119.070 0.093 0.000 2.559 455 H HA 0.120 4.675 4.556 -0.001 0.000 0.273 455 H C 1.326 176.688 175.328 0.056 0.000 1.000 455 H CA 0.848 56.939 56.048 0.072 0.000 1.195 455 H CB 0.057 29.832 29.762 0.022 0.000 1.368 455 H HN 0.119 nan 8.280 nan 0.000 0.592 456 A N -1.051 121.730 122.820 -0.065 0.000 2.238 456 A HA 0.080 4.400 4.320 -0.001 0.000 0.208 456 A C 1.253 178.566 177.584 -0.451 0.000 1.177 456 A CA 0.144 51.987 52.037 -0.324 0.000 0.804 456 A CB -0.668 18.074 19.000 -0.430 0.000 0.823 456 A HN 0.368 nan 8.150 nan 0.000 0.482 457 F N -2.715 117.205 119.950 -0.051 0.000 2.717 457 F HA 0.226 4.753 4.527 -0.000 0.000 0.295 457 F C 0.630 176.523 175.800 0.154 0.000 1.117 457 F CA -0.315 57.661 58.000 -0.040 0.000 1.361 457 F CB 0.087 39.048 39.000 -0.065 0.000 1.112 457 F HN 0.254 nan 8.300 nan 0.000 0.594 458 Y N 2.205 122.622 120.300 0.195 0.000 2.402 458 Y HA 0.236 4.786 4.550 -0.001 0.000 0.333 458 Y C 0.580 176.542 175.900 0.104 0.000 1.076 458 Y CA -1.310 56.901 58.100 0.186 0.000 1.299 458 Y CB 0.162 38.785 38.460 0.271 0.000 1.197 458 Y HN 0.009 nan 8.280 nan 0.000 0.517 459 M N 5.845 125.237 119.600 -0.347 0.000 2.852 459 M HA -0.157 4.323 4.480 -0.001 0.000 0.176 459 M C -1.294 174.947 176.300 -0.098 0.000 1.160 459 M CA 0.838 55.961 55.300 -0.295 0.000 0.702 459 M CB -2.676 29.690 32.600 -0.391 0.000 1.193 459 M HN 0.400 nan 8.290 nan 0.000 0.775 460 V N -2.365 117.544 119.914 -0.009 0.000 3.114 460 V HA 1.041 5.161 4.120 -0.001 0.000 0.308 460 V C 0.629 176.770 176.094 0.078 0.000 1.168 460 V CA -0.275 62.041 62.300 0.026 0.000 1.015 460 V CB 1.657 33.490 31.823 0.016 0.000 1.050 460 V HN 0.519 nan 8.190 nan 0.000 0.433 461 G N 1.266 110.099 108.800 0.054 0.000 3.056 461 G HA2 0.519 4.479 3.960 -0.001 0.000 0.175 461 G HA3 0.519 4.479 3.960 -0.001 0.000 0.175 461 G C 0.632 175.600 174.900 0.113 0.000 1.894 461 G CA 0.028 45.162 45.100 0.056 0.000 0.910 461 G HN 1.429 nan 8.290 nan 0.000 0.462 462 G N -0.913 107.932 108.800 0.076 0.000 2.683 462 G HA2 0.289 4.248 3.960 -0.001 0.000 0.260 462 G HA3 0.289 4.248 3.960 -0.001 0.000 0.260 462 G C 0.792 175.752 174.900 0.099 0.000 1.238 462 G CA -0.022 45.135 45.100 0.094 0.000 0.934 462 G HN 0.393 nan 8.290 nan 0.000 0.534 463 I N -0.765 119.842 120.570 0.063 0.000 2.614 463 I HA -0.032 4.138 4.170 -0.001 0.000 0.258 463 I C 2.357 178.373 176.117 -0.168 0.000 1.189 463 I CA 1.224 62.455 61.300 -0.115 0.000 1.462 463 I CB -0.222 37.700 38.000 -0.130 0.000 1.092 463 I HN 0.679 nan 8.210 nan 0.000 0.442 464 E N 0.068 120.224 120.200 -0.073 0.000 2.338 464 E HA -0.175 4.175 4.350 -0.001 0.000 0.197 464 E C 1.193 177.742 176.600 -0.085 0.000 1.007 464 E CA 1.048 57.410 56.400 -0.064 0.000 0.849 464 E CB -0.070 29.614 29.700 -0.026 0.000 0.774 464 E HN 0.513 nan 8.360 nan 0.000 0.506 465 D N -0.447 119.899 120.400 -0.089 0.000 2.333 465 D HA -0.046 4.594 4.640 -0.001 0.000 0.208 465 D C 1.735 177.924 176.300 -0.184 0.000 0.984 465 D CA 0.394 54.334 54.000 -0.100 0.000 0.873 465 D CB 0.340 41.109 40.800 -0.053 0.000 0.935 465 D HN 0.045 nan 8.370 nan 0.000 0.521 466 V N 0.163 119.904 119.914 -0.288 0.000 2.446 466 V HA -0.105 4.014 4.120 -0.001 0.000 0.244 466 V C 2.553 178.416 176.094 -0.385 0.000 1.039 466 V CA 0.620 62.625 62.300 -0.491 0.000 1.045 466 V CB -0.355 30.958 31.823 -0.851 0.000 0.681 466 V HN 0.033 nan 8.190 nan 0.000 0.459 467 V N 0.646 120.395 119.914 -0.275 0.000 2.332 467 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 467 V C 2.727 178.751 176.094 -0.117 0.000 1.055 467 V CA 2.292 64.508 62.300 -0.141 0.000 1.038 467 V CB -0.877 30.910 31.823 -0.061 0.000 0.651 467 V HN 0.557 nan 8.190 nan 0.000 0.450 468 A N -0.765 121.984 122.820 -0.118 0.000 1.872 468 A HA -0.204 4.115 4.320 -0.001 0.000 0.214 468 A C 2.336 179.857 177.584 -0.104 0.000 1.187 468 A CA 1.909 53.891 52.037 -0.091 0.000 0.614 468 A CB -0.441 18.514 19.000 -0.075 0.000 0.826 468 A HN 0.477 nan 8.150 nan 0.000 0.442 469 K N -0.349 119.966 120.400 -0.141 0.000 2.097 469 K HA -0.017 4.302 4.320 -0.001 0.000 0.205 469 K C 2.081 178.591 176.600 -0.149 0.000 1.050 469 K CA 0.973 57.171 56.287 -0.148 0.000 0.938 469 K CB -0.259 32.130 32.500 -0.184 0.000 0.718 469 K HN 0.374 nan 8.250 nan 0.000 0.442 470 A N 1.322 124.040 122.820 -0.171 0.000 1.972 470 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 470 A C 1.648 179.181 177.584 -0.084 0.000 1.169 470 A CA 1.515 53.468 52.037 -0.140 0.000 0.635 470 A CB -0.319 18.587 19.000 -0.157 0.000 0.810 470 A HN 0.431 nan 8.150 nan 0.000 0.446 471 E N -0.413 119.742 120.200 -0.075 0.000 2.285 471 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 471 E C 1.845 178.419 176.600 -0.043 0.000 0.997 471 E CA 0.762 57.132 56.400 -0.050 0.000 0.845 471 E CB -0.051 29.623 29.700 -0.044 0.000 0.782 471 E HN 0.582 nan 8.360 nan 0.000 0.491 472 K N 0.654 121.023 120.400 -0.052 0.000 2.062 472 K HA 0.016 4.336 4.320 -0.001 0.000 0.205 472 K C 1.836 178.417 176.600 -0.031 0.000 1.051 472 K CA 0.566 56.829 56.287 -0.041 0.000 0.941 472 K CB 0.041 32.512 32.500 -0.048 0.000 0.719 472 K HN 0.099 nan 8.250 nan 0.000 0.440 473 L N 0.481 121.681 121.223 -0.039 0.000 2.711 473 L HA -0.065 4.274 4.340 -0.001 0.000 0.242 473 L C 1.422 178.288 176.870 -0.007 0.000 1.153 473 L CA -0.141 54.690 54.840 -0.016 0.000 0.898 473 L CB -0.154 41.895 42.059 -0.016 0.000 1.044 473 L HN 0.227 nan 8.230 nan 0.000 0.437 474 A N -0.834 121.977 122.820 -0.014 0.000 1.976 474 A HA 0.573 4.892 4.320 -0.001 0.000 0.199 474 A C 1.043 178.622 177.584 -0.008 0.000 2.152 474 A CA 0.513 52.544 52.037 -0.009 0.000 1.086 474 A CB -0.389 18.603 19.000 -0.014 0.000 1.181 474 A HN 0.195 nan 8.150 nan 0.000 0.642 475 A N 0.000 122.812 122.820 -0.013 0.000 2.254 475 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 475 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 475 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486