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 3oee_1_W 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 AKAEKLA 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 0.000 177.324 177.300 0.040 0.000 1.155 8 P CA 0.000 63.115 63.100 0.025 0.000 0.800 8 P CB 0.000 31.712 31.700 0.019 0.000 0.726 9 I N 1.367 121.974 120.570 0.062 0.000 2.495 9 I HA 0.256 4.426 4.170 0.000 0.000 0.277 9 I C -0.117 176.110 176.117 0.184 0.000 1.045 9 I CA -0.236 61.131 61.300 0.112 0.000 1.135 9 I CB 1.917 39.969 38.000 0.086 0.000 1.241 9 I HN 0.209 nan 8.210 nan 0.000 0.469 10 T N 3.864 118.494 114.554 0.128 0.000 2.869 10 T HA 0.550 4.900 4.350 0.000 0.000 0.295 10 T C 0.429 175.048 174.700 -0.135 0.000 0.987 10 T CA -0.518 61.600 62.100 0.030 0.000 1.109 10 T CB 1.304 70.164 68.868 -0.013 0.000 0.932 10 T HN 0.703 nan 8.240 nan 0.000 0.518 11 G N 1.955 110.534 108.800 -0.367 0.000 2.542 11 G HA2 0.622 4.582 3.960 0.000 0.000 0.311 11 G HA3 0.622 4.582 3.960 0.000 0.000 0.311 11 G C -1.155 173.482 174.900 -0.438 0.000 1.298 11 G CA -0.844 43.700 45.100 -0.926 0.000 0.973 11 G HN 0.541 nan 8.290 nan 0.000 0.487 12 K N 1.145 121.329 120.400 -0.358 0.000 2.244 12 K HA 0.428 4.748 4.320 0.000 0.000 0.260 12 K C -0.532 175.998 176.600 -0.117 0.000 0.951 12 K CA -0.737 55.455 56.287 -0.158 0.000 0.826 12 K CB 2.788 35.246 32.500 -0.070 0.000 1.108 12 K HN 0.251 nan 8.250 nan 0.000 0.433 13 V N 3.286 123.149 119.914 -0.085 0.000 2.421 13 V HA -0.017 4.103 4.120 0.000 0.000 0.271 13 V C 1.222 177.289 176.094 -0.044 0.000 1.031 13 V CA 0.400 62.666 62.300 -0.057 0.000 1.032 13 V CB 0.433 32.230 31.823 -0.043 0.000 1.009 13 V HN 0.961 nan 8.190 nan 0.000 0.477 14 T N 1.022 115.554 114.554 -0.036 0.000 3.134 14 T HA 0.638 4.988 4.350 0.000 0.000 0.260 14 T C 0.218 174.900 174.700 -0.030 0.000 1.027 14 T CA 0.330 62.405 62.100 -0.041 0.000 0.913 14 T CB 0.366 69.201 68.868 -0.056 0.000 1.046 14 T HN 1.112 nan 8.240 nan 0.000 0.553 15 A N 0.534 123.341 122.820 -0.022 0.000 2.401 15 A HA 0.547 4.867 4.320 0.000 0.000 0.313 15 A C -1.166 176.411 177.584 -0.011 0.000 1.013 15 A CA -0.746 51.282 52.037 -0.016 0.000 1.034 15 A CB 0.509 19.503 19.000 -0.011 0.000 1.324 15 A HN 0.277 nan 8.150 nan 0.000 0.366 16 V N 3.699 123.605 119.914 -0.012 0.000 2.357 16 V HA 0.547 4.667 4.120 0.000 0.000 0.284 16 V C -0.238 175.852 176.094 -0.008 0.000 1.018 16 V CA -0.124 62.171 62.300 -0.009 0.000 0.841 16 V CB 1.046 32.863 31.823 -0.010 0.000 0.991 16 V HN 0.675 nan 8.190 nan 0.000 0.437 17 I N 4.681 125.248 120.570 -0.006 0.000 2.495 17 I HA 0.604 4.774 4.170 0.000 0.000 0.277 17 I C 1.125 177.239 176.117 -0.006 0.000 1.045 17 I CA -0.115 61.181 61.300 -0.006 0.000 1.135 17 I CB 1.140 39.137 38.000 -0.005 0.000 1.241 17 I HN 0.781 nan 8.210 nan 0.000 0.469 18 G N 5.174 113.970 108.800 -0.006 0.000 2.815 18 G HA2 -0.393 3.567 3.960 0.000 0.000 0.326 18 G HA3 -0.393 3.567 3.960 0.000 0.000 0.326 18 G C 0.752 175.648 174.900 -0.007 0.000 1.191 18 G CA 0.651 45.747 45.100 -0.007 0.000 0.965 18 G HN 0.865 nan 8.290 nan 0.000 0.564 19 A N -0.452 122.364 122.820 -0.007 0.000 2.535 19 A HA 0.664 4.984 4.320 0.000 0.000 0.273 19 A C 0.334 177.916 177.584 -0.003 0.000 1.267 19 A CA 0.251 52.284 52.037 -0.006 0.000 0.940 19 A CB 0.227 19.221 19.000 -0.009 0.000 1.101 19 A HN 0.665 nan 8.150 nan 0.000 0.521 20 I N 1.554 122.123 120.570 -0.002 0.000 2.466 20 I HA 0.293 4.463 4.170 0.000 0.000 0.279 20 I C -0.638 175.480 176.117 0.002 0.000 1.033 20 I CA -0.489 60.811 61.300 0.001 0.000 1.123 20 I CB 0.988 38.988 38.000 0.001 0.000 1.237 20 I HN -0.150 nan 8.210 nan 0.000 0.460 21 V N 5.514 125.431 119.914 0.005 0.000 2.539 21 V HA 0.427 4.547 4.120 0.000 0.000 0.292 21 V C -0.274 175.825 176.094 0.009 0.000 1.045 21 V CA -0.443 61.859 62.300 0.003 0.000 0.945 21 V CB 2.216 34.040 31.823 0.002 0.000 0.993 21 V HN 0.550 nan 8.190 nan 0.000 0.464 22 D N 2.102 122.505 120.400 0.004 0.000 2.350 22 D HA 0.674 5.314 4.640 0.000 0.000 0.245 22 D C -0.877 175.424 176.300 0.003 0.000 1.036 22 D CA -0.138 53.868 54.000 0.011 0.000 0.848 22 D CB 2.210 43.016 40.800 0.010 0.000 1.307 22 D HN 0.269 nan 8.370 nan 0.000 0.469 23 V N 1.638 121.563 119.914 0.018 0.000 2.656 23 V HA 0.340 4.460 4.120 0.000 0.000 0.307 23 V C -0.409 175.682 176.094 -0.005 0.000 1.051 23 V CA -0.866 61.415 62.300 -0.032 0.000 0.893 23 V CB 2.000 33.814 31.823 -0.016 0.000 0.999 23 V HN 0.589 nan 8.190 nan 0.000 0.426 24 H N 3.309 122.235 119.070 -0.240 0.000 2.573 24 H HA 0.724 5.280 4.556 0.000 0.000 0.351 24 H C -1.865 173.216 175.328 -0.411 0.000 1.163 24 H CA -0.429 55.517 56.048 -0.171 0.000 1.205 24 H CB 1.897 31.589 29.762 -0.117 0.000 1.605 24 H HN 0.502 nan 8.280 nan 0.000 0.525 25 F N 0.288 119.745 119.950 -0.821 0.000 2.790 25 F HA 0.226 4.753 4.527 0.000 0.000 0.337 25 F C 0.011 175.448 175.800 -0.605 0.000 1.163 25 F CA -0.951 56.714 58.000 -0.557 0.000 0.997 25 F CB 1.170 40.005 39.000 -0.275 0.000 1.437 25 F HN 0.454 nan 8.300 nan 0.000 0.512 26 E N 0.439 120.619 120.200 -0.032 0.000 2.318 26 E HA 0.198 4.548 4.350 0.000 0.000 0.265 26 E C -1.033 175.566 176.600 -0.001 0.000 1.069 26 E CA -0.638 55.749 56.400 -0.022 0.000 0.893 26 E CB 0.584 30.295 29.700 0.018 0.000 1.076 26 E HN 0.455 nan 8.360 nan 0.000 0.414 27 Q N 0.731 120.533 119.800 0.004 0.000 2.283 27 Q HA -0.012 4.328 4.340 0.000 0.000 0.301 27 Q C 0.183 176.178 176.000 -0.009 0.000 1.063 27 Q CA 0.954 56.760 55.803 0.005 0.000 0.952 27 Q CB 0.239 28.986 28.738 0.016 0.000 1.166 27 Q HN 0.754 nan 8.270 nan 0.000 0.381 28 S N 0.937 116.627 115.700 -0.017 0.000 3.581 28 S HA -0.286 4.184 4.470 0.000 0.000 0.354 28 S C 0.313 174.875 174.600 -0.063 0.000 1.059 28 S CA 1.494 59.677 58.200 -0.029 0.000 1.060 28 S CB -1.220 61.971 63.200 -0.015 0.000 0.908 28 S HN 0.883 nan 8.310 nan 0.000 0.475 29 E N -0.472 119.662 120.200 -0.110 0.000 2.624 29 E HA 0.370 4.720 4.350 0.000 0.000 0.210 29 E C -0.172 176.170 176.600 -0.429 0.000 0.997 29 E CA -0.436 55.857 56.400 -0.179 0.000 0.999 29 E CB 0.265 29.912 29.700 -0.089 0.000 1.040 29 E HN 0.766 nan 8.360 nan 0.000 0.469 30 L N 3.174 124.178 121.223 -0.364 0.000 2.331 30 L HA 0.260 4.600 4.340 0.000 0.000 0.278 30 L C -1.947 174.720 176.870 -0.338 0.000 1.106 30 L CA -1.778 52.759 54.840 -0.505 0.000 0.824 30 L CB 0.219 42.115 42.059 -0.271 0.000 1.142 30 L HN -0.004 nan 8.230 nan 0.000 0.443 31 P HA 0.069 nan 4.420 nan 0.000 0.266 31 P C -0.422 176.907 177.300 0.047 0.000 1.215 31 P CA -0.277 62.718 63.100 -0.175 0.000 0.763 31 P CB 0.762 32.366 31.700 -0.160 0.000 0.806 32 A N 5.063 127.897 122.820 0.025 0.000 2.531 32 A HA 0.083 4.403 4.320 0.000 0.000 0.236 32 A C 0.704 178.302 177.584 0.023 0.000 1.062 32 A CA -0.346 51.703 52.037 0.019 0.000 0.760 32 A CB -0.523 18.452 19.000 -0.041 0.000 0.995 32 A HN 0.568 nan 8.150 nan 0.000 0.501 33 I N 1.672 122.229 120.570 -0.023 0.000 2.919 33 I HA -0.115 4.055 4.170 0.000 0.000 0.299 33 I C 0.760 176.821 176.117 -0.093 0.000 1.221 33 I CA 1.058 62.339 61.300 -0.031 0.000 1.424 33 I CB -0.159 37.794 38.000 -0.077 0.000 1.358 33 I HN 0.751 nan 8.210 nan 0.000 0.551 34 L N 2.401 123.559 121.223 -0.109 0.000 3.294 34 L HA -0.215 4.125 4.340 0.000 0.000 0.437 34 L C 0.287 177.068 176.870 -0.148 0.000 0.749 34 L CA -0.083 54.612 54.840 -0.241 0.000 2.510 34 L CB -1.314 40.425 42.059 -0.532 0.000 1.159 34 L HN 0.639 nan 8.230 nan 0.000 0.602 35 N N 1.401 120.064 118.700 -0.062 0.000 2.441 35 N HA 0.437 5.177 4.740 0.000 0.000 0.251 35 N C 0.363 175.879 175.510 0.011 0.000 1.242 35 N CA 0.944 53.985 53.050 -0.016 0.000 0.898 35 N CB 0.703 39.182 38.487 -0.014 0.000 1.100 35 N HN 0.300 nan 8.380 nan 0.000 0.443 36 A N 2.478 125.315 122.820 0.027 0.000 2.404 36 A HA 0.373 4.693 4.320 0.000 0.000 0.273 36 A C -0.284 177.324 177.584 0.040 0.000 1.144 36 A CA -0.281 51.779 52.037 0.037 0.000 0.806 36 A CB -0.252 18.771 19.000 0.039 0.000 1.080 36 A HN 0.607 nan 8.150 nan 0.000 0.509 37 L N 2.835 124.087 121.223 0.048 0.000 2.322 37 L HA 0.465 4.805 4.340 0.000 0.000 0.281 37 L C 0.164 177.063 176.870 0.048 0.000 1.014 37 L CA -0.302 54.577 54.840 0.065 0.000 0.815 37 L CB 1.727 43.842 42.059 0.092 0.000 1.247 37 L HN 0.781 nan 8.230 nan 0.000 0.421 38 E N 2.851 123.078 120.200 0.045 0.000 2.212 38 E HA 0.708 5.058 4.350 0.000 0.000 0.270 38 E C -1.091 175.522 176.600 0.021 0.000 0.956 38 E CA -0.592 55.826 56.400 0.029 0.000 0.825 38 E CB 2.922 32.636 29.700 0.024 0.000 1.167 38 E HN 0.392 nan 8.360 nan 0.000 0.400 39 I N 1.277 121.855 120.570 0.012 0.000 2.994 39 I HA 0.346 4.516 4.170 0.000 0.000 0.306 39 I C -1.030 175.089 176.117 0.003 0.000 1.195 39 I CA -0.856 60.446 61.300 0.004 0.000 1.001 39 I CB 2.292 40.293 38.000 0.001 0.000 1.244 39 I HN 0.225 nan 8.210 nan 0.000 0.437 40 K N 2.512 122.911 120.400 -0.001 0.000 2.413 40 K HA 0.503 4.823 4.320 0.000 0.000 0.257 40 K C -0.578 176.020 176.600 -0.003 0.000 0.946 40 K CA -0.559 55.727 56.287 -0.001 0.000 0.823 40 K CB 2.014 34.513 32.500 -0.001 0.000 1.109 40 K HN 0.703 nan 8.250 nan 0.000 0.427 41 T N -1.395 113.158 114.554 -0.002 0.000 2.889 41 T HA 0.437 4.787 4.350 0.000 0.000 0.278 41 T C -1.824 172.874 174.700 -0.003 0.000 0.995 41 T CA -1.560 60.538 62.100 -0.003 0.000 0.966 41 T CB 0.910 69.777 68.868 -0.002 0.000 1.237 41 T HN 0.233 nan 8.240 nan 0.000 0.591 42 P HA 0.302 nan 4.420 nan 0.000 0.253 42 P C 0.508 177.807 177.300 -0.002 0.000 1.260 42 P CA 0.231 63.329 63.100 -0.003 0.000 0.800 42 P CB 0.304 32.002 31.700 -0.003 0.000 1.162 43 Q N -0.900 118.899 119.800 -0.002 0.000 2.606 43 Q HA 0.378 4.718 4.340 0.000 0.000 0.215 43 Q C 1.374 177.374 176.000 -0.001 0.000 0.908 43 Q CA 1.443 57.245 55.803 -0.001 0.000 0.908 43 Q CB -0.145 28.592 28.738 -0.001 0.000 1.120 43 Q HN 0.233 nan 8.270 nan 0.000 0.628 44 G N -0.183 108.616 108.800 -0.001 0.000 3.517 44 G HA2 0.356 4.316 3.960 0.000 0.000 0.173 44 G HA3 0.356 4.316 3.960 0.000 0.000 0.173 44 G C -1.315 173.585 174.900 0.000 0.000 1.340 44 G CA -0.089 45.010 45.100 -0.000 0.000 1.228 44 G HN 0.090 nan 8.290 nan 0.000 0.745 45 K N -0.338 120.063 120.400 0.002 0.000 2.535 45 K HA 0.686 5.006 4.320 0.000 0.000 0.251 45 K C -1.764 174.839 176.600 0.005 0.000 0.942 45 K CA -0.792 55.497 56.287 0.003 0.000 0.798 45 K CB 2.507 35.010 32.500 0.004 0.000 1.267 45 K HN 0.513 nan 8.250 nan 0.000 0.434 46 L N 3.267 124.493 121.223 0.005 0.000 2.305 46 L HA 0.439 4.779 4.340 0.000 0.000 0.281 46 L C -1.215 175.662 176.870 0.012 0.000 1.085 46 L CA -0.195 54.649 54.840 0.007 0.000 0.813 46 L CB 1.456 43.517 42.059 0.005 0.000 1.157 46 L HN 0.565 nan 8.230 nan 0.000 0.436 47 V N 6.226 126.149 119.914 0.015 0.000 2.513 47 V HA 0.470 4.590 4.120 0.000 0.000 0.299 47 V C -0.066 176.042 176.094 0.024 0.000 1.035 47 V CA -0.622 61.691 62.300 0.021 0.000 0.889 47 V CB 1.519 33.356 31.823 0.023 0.000 0.988 47 V HN 0.625 nan 8.190 nan 0.000 0.440 48 L N 3.497 124.738 121.223 0.030 0.000 2.333 48 L HA 0.565 4.905 4.340 0.000 0.000 0.280 48 L C 0.040 176.932 176.870 0.037 0.000 1.004 48 L CA -0.276 54.583 54.840 0.032 0.000 0.820 48 L CB 1.905 43.984 42.059 0.033 0.000 1.247 48 L HN 0.655 nan 8.230 nan 0.000 0.416 49 E N 2.379 122.601 120.200 0.035 0.000 2.200 49 E HA 0.311 4.661 4.350 0.000 0.000 0.283 49 E C -0.973 175.640 176.600 0.022 0.000 1.015 49 E CA -0.752 55.667 56.400 0.032 0.000 0.819 49 E CB 1.783 31.511 29.700 0.046 0.000 1.081 49 E HN 0.301 nan 8.360 nan 0.000 0.397 50 V N 4.023 123.945 119.914 0.013 0.000 2.521 50 V HA 0.103 4.223 4.120 0.000 0.000 0.286 50 V C 0.860 176.961 176.094 0.011 0.000 1.034 50 V CA 0.681 62.997 62.300 0.026 0.000 1.045 50 V CB 0.792 32.639 31.823 0.041 0.000 0.974 50 V HN 0.870 nan 8.190 nan 0.000 0.480 51 A N 4.035 126.875 122.820 0.033 0.000 1.988 51 A HA 0.324 4.644 4.320 0.000 0.000 0.198 51 A C 0.762 178.376 177.584 0.051 0.000 1.507 51 A CA 0.176 52.227 52.037 0.024 0.000 0.901 51 A CB 0.400 19.411 19.000 0.019 0.000 1.007 51 A HN 0.711 nan 8.150 nan 0.000 0.502 52 Q N -0.846 119.007 119.800 0.088 0.000 2.484 52 Q HA 0.404 4.744 4.340 0.000 0.000 0.285 52 Q C -1.556 174.586 176.000 0.236 0.000 1.097 52 Q CA -0.609 55.267 55.803 0.123 0.000 0.802 52 Q CB 1.849 30.632 28.738 0.075 0.000 1.444 52 Q HN 0.626 nan 8.270 nan 0.000 0.429 53 H N 2.126 121.201 119.070 0.007 0.000 2.539 53 H HA 0.209 4.765 4.556 0.000 0.000 0.247 53 H C 0.758 176.098 175.328 0.021 0.000 1.363 53 H CA -0.114 55.943 56.048 0.015 0.000 1.371 53 H CB 0.596 30.358 29.762 0.001 0.000 1.438 53 H HN 0.462 nan 8.280 nan 0.000 0.523 54 L N 1.869 123.149 121.223 0.096 0.000 2.127 54 L HA -0.084 4.256 4.340 0.000 0.000 0.211 54 L C 1.232 178.140 176.870 0.062 0.000 1.089 54 L CA 1.263 56.142 54.840 0.066 0.000 0.757 54 L CB -0.060 42.026 42.059 0.045 0.000 0.899 54 L HN 0.742 nan 8.230 nan 0.000 0.434 55 G N -1.147 107.694 108.800 0.068 0.000 2.428 55 G HA2 -0.023 3.937 3.960 0.000 0.000 0.681 55 G HA3 -0.023 3.937 3.960 0.000 0.000 0.681 55 G C -0.372 174.565 174.900 0.061 0.000 1.340 55 G CA -0.594 44.543 45.100 0.062 0.000 0.915 55 G HN 0.168 nan 8.290 nan 0.000 0.645 56 E N 0.305 120.543 120.200 0.064 0.000 2.246 56 E HA -0.231 4.119 4.350 0.000 0.000 0.211 56 E C 0.740 177.417 176.600 0.129 0.000 1.278 56 E CA 0.614 57.061 56.400 0.079 0.000 0.694 56 E CB -0.878 28.857 29.700 0.060 0.000 1.166 56 E HN 0.954 nan 8.360 nan 0.000 0.370 57 N N -1.091 117.671 118.700 0.103 0.000 2.693 57 N HA -0.158 4.582 4.740 0.000 0.000 0.249 57 N C -0.896 174.690 175.510 0.127 0.000 1.119 57 N CA 1.968 55.074 53.050 0.094 0.000 0.717 57 N CB -0.868 37.660 38.487 0.068 0.000 1.071 57 N HN 0.307 nan 8.380 nan 0.000 0.555 58 T N 0.142 114.752 114.554 0.093 0.000 2.842 58 T HA 0.480 4.830 4.350 0.000 0.000 0.308 58 T C 0.679 175.382 174.700 0.005 0.000 1.041 58 T CA -0.659 61.491 62.100 0.083 0.000 0.964 58 T CB 1.722 70.642 68.868 0.087 0.000 0.972 58 T HN 0.146 nan 8.240 nan 0.000 0.460 59 V N 2.042 121.939 119.914 -0.029 0.000 2.904 59 V HA 0.690 4.810 4.120 0.000 0.000 0.305 59 V C 0.166 176.270 176.094 0.017 0.000 1.067 59 V CA -1.118 61.135 62.300 -0.078 0.000 1.044 59 V CB 1.247 32.967 31.823 -0.171 0.000 1.050 59 V HN 0.773 nan 8.190 nan 0.000 0.475 60 R N 1.043 121.563 120.500 0.035 0.000 2.637 60 R HA 0.728 5.068 4.340 0.000 0.000 0.291 60 R C -0.620 175.704 176.300 0.039 0.000 0.963 60 R CA -0.016 56.106 56.100 0.037 0.000 0.901 60 R CB 1.992 32.313 30.300 0.034 0.000 1.160 60 R HN 1.129 nan 8.270 nan 0.000 0.457 61 T N 1.534 116.107 114.554 0.032 0.000 2.893 61 T HA 0.492 4.842 4.350 0.000 0.000 0.291 61 T C 0.116 174.828 174.700 0.020 0.000 1.028 61 T CA -0.953 61.165 62.100 0.030 0.000 0.995 61 T CB 1.209 70.099 68.868 0.036 0.000 1.051 61 T HN 0.556 nan 8.240 nan 0.000 0.470 62 I N 0.383 120.964 120.570 0.018 0.000 2.321 62 I HA 0.780 4.950 4.170 0.000 0.000 0.291 62 I C 0.389 176.515 176.117 0.015 0.000 0.998 62 I CA -1.278 60.030 61.300 0.013 0.000 1.227 62 I CB 0.858 38.863 38.000 0.008 0.000 1.368 62 I HN 0.843 nan 8.210 nan 0.000 0.466 63 A N 7.050 129.876 122.820 0.010 0.000 2.425 63 A HA 0.434 4.754 4.320 0.000 0.000 0.249 63 A C 0.915 178.505 177.584 0.011 0.000 1.084 63 A CA -0.466 51.577 52.037 0.011 0.000 0.781 63 A CB 0.580 19.584 19.000 0.006 0.000 1.019 63 A HN 0.902 nan 8.150 nan 0.000 0.490 64 M N 0.549 120.158 119.600 0.015 0.000 2.509 64 M HA 0.122 4.602 4.480 0.000 0.000 0.250 64 M C -0.016 176.291 176.300 0.012 0.000 1.132 64 M CA 0.790 56.099 55.300 0.016 0.000 1.080 64 M CB -0.809 31.805 32.600 0.023 0.000 1.408 64 M HN 0.811 nan 8.290 nan 0.000 0.484 65 D N -1.031 119.374 120.400 0.009 0.000 2.732 65 D HA 0.535 5.175 4.640 0.000 0.000 0.292 65 D C -0.200 176.102 176.300 0.003 0.000 1.135 65 D CA -0.203 53.801 54.000 0.006 0.000 1.071 65 D CB 1.273 42.077 40.800 0.006 0.000 1.457 65 D HN 0.105 nan 8.370 nan 0.000 0.547 66 G N -1.414 107.386 108.800 0.001 0.000 2.732 66 G HA2 0.333 4.293 3.960 0.000 0.000 0.244 66 G HA3 0.333 4.293 3.960 0.000 0.000 0.244 66 G C 0.662 175.561 174.900 -0.002 0.000 1.226 66 G CA 0.671 45.770 45.100 -0.002 0.000 0.860 66 G HN 0.468 nan 8.290 nan 0.000 0.583 67 T N -2.567 111.985 114.554 -0.003 0.000 3.043 67 T HA 0.181 4.531 4.350 0.000 0.000 0.272 67 T C 0.643 175.340 174.700 -0.005 0.000 0.990 67 T CA 0.139 62.237 62.100 -0.004 0.000 0.897 67 T CB 0.124 68.989 68.868 -0.004 0.000 1.111 67 T HN 0.660 nan 8.240 nan 0.000 0.529 68 E N 2.249 122.446 120.200 -0.005 0.000 2.452 68 E HA 0.303 4.653 4.350 0.000 0.000 0.261 68 E C 1.124 177.721 176.600 -0.006 0.000 0.987 68 E CA 0.784 57.181 56.400 -0.005 0.000 0.926 68 E CB 0.081 29.778 29.700 -0.005 0.000 0.934 68 E HN 0.563 nan 8.360 nan 0.000 0.452 69 G N 2.819 111.615 108.800 -0.006 0.000 2.175 69 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 69 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 69 G C 0.125 175.020 174.900 -0.008 0.000 0.982 69 G CA 0.143 45.239 45.100 -0.007 0.000 0.641 69 G HN 0.481 nan 8.290 nan 0.000 0.527 70 L N 1.890 123.108 121.223 -0.009 0.000 2.278 70 L HA 0.446 4.786 4.340 0.000 0.000 0.287 70 L C 0.780 177.642 176.870 -0.013 0.000 1.072 70 L CA -0.877 53.957 54.840 -0.011 0.000 0.819 70 L CB 1.375 43.428 42.059 -0.010 0.000 1.176 70 L HN -0.008 nan 8.230 nan 0.000 0.435 71 V N 4.063 123.968 119.914 -0.015 0.000 2.555 71 V HA 0.173 4.293 4.120 0.000 0.000 0.286 71 V C 0.836 176.917 176.094 -0.021 0.000 1.044 71 V CA -0.671 61.619 62.300 -0.017 0.000 1.026 71 V CB 0.899 32.712 31.823 -0.017 0.000 0.981 71 V HN 0.723 nan 8.190 nan 0.000 0.480 72 R N 3.222 123.709 120.500 -0.022 0.000 2.537 72 R HA 0.231 4.571 4.340 0.000 0.000 0.281 72 R C 1.212 177.493 176.300 -0.032 0.000 0.988 72 R CA 1.249 57.333 56.100 -0.027 0.000 1.077 72 R CB -0.080 30.204 30.300 -0.027 0.000 0.932 72 R HN 1.233 nan 8.270 nan 0.000 0.409 73 G N 2.777 111.553 108.800 -0.039 0.000 2.175 73 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 73 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 73 G C 0.146 175.019 174.900 -0.044 0.000 0.982 73 G CA 0.288 45.362 45.100 -0.042 0.000 0.641 73 G HN 0.675 nan 8.290 nan 0.000 0.527 74 E N 0.275 120.450 120.200 -0.042 0.000 2.391 74 E HA 0.408 4.758 4.350 0.000 0.000 0.255 74 E C 0.539 177.108 176.600 -0.052 0.000 1.187 74 E CA -0.491 55.886 56.400 -0.039 0.000 0.941 74 E CB 0.370 30.053 29.700 -0.029 0.000 1.010 74 E HN 0.246 nan 8.360 nan 0.000 0.458 75 K N 1.143 121.518 120.400 -0.042 0.000 2.322 75 K HA 0.188 4.508 4.320 0.000 0.000 0.283 75 K C -1.421 175.154 176.600 -0.043 0.000 1.042 75 K CA -0.288 55.971 56.287 -0.047 0.000 0.958 75 K CB 0.672 33.155 32.500 -0.028 0.000 0.984 75 K HN 0.150 nan 8.250 nan 0.000 0.473 76 V N 6.521 126.398 119.914 -0.061 0.000 2.380 76 V HA 0.210 4.330 4.120 0.000 0.000 0.286 76 V C -0.469 175.642 176.094 0.028 0.000 1.015 76 V CA -0.956 61.327 62.300 -0.029 0.000 0.834 76 V CB 1.178 32.965 31.823 -0.061 0.000 1.009 76 V HN 0.709 nan 8.190 nan 0.000 0.428 77 L N 3.849 125.099 121.223 0.046 0.000 2.397 77 L HA 0.456 4.796 4.340 0.000 0.000 0.271 77 L C 0.117 177.049 176.870 0.104 0.000 1.148 77 L CA 0.543 55.425 54.840 0.070 0.000 0.825 77 L CB 0.884 42.968 42.059 0.041 0.000 1.117 77 L HN 0.664 nan 8.230 nan 0.000 0.456 78 D N 1.661 122.130 120.400 0.115 0.000 2.349 78 D HA 0.137 4.777 4.640 0.000 0.000 0.232 78 D C 0.846 177.168 176.300 0.036 0.000 1.071 78 D CA -0.033 54.016 54.000 0.081 0.000 0.832 78 D CB 1.569 42.400 40.800 0.051 0.000 1.086 78 D HN 0.683 nan 8.370 nan 0.000 0.504 79 T N 0.821 115.392 114.554 0.027 0.000 3.118 79 T HA 0.227 4.577 4.350 0.000 0.000 0.260 79 T C 1.477 176.182 174.700 0.007 0.000 1.139 79 T CA 0.840 62.951 62.100 0.018 0.000 1.085 79 T CB 0.017 68.897 68.868 0.020 0.000 0.934 79 T HN 0.611 nan 8.240 nan 0.000 0.518 80 G N 0.457 109.255 108.800 -0.002 0.000 2.454 80 G HA2 -0.063 3.897 3.960 0.000 0.000 0.225 80 G HA3 -0.063 3.897 3.960 0.000 0.000 0.225 80 G C 0.447 175.342 174.900 -0.008 0.000 1.138 80 G CA -0.119 44.974 45.100 -0.011 0.000 0.667 80 G HN 1.176 nan 8.290 nan 0.000 0.512 81 G N 0.249 109.051 108.800 0.002 0.000 3.013 81 G HA2 0.786 4.746 3.960 0.000 0.000 0.278 81 G HA3 0.786 4.746 3.960 0.000 0.000 0.278 81 G C -3.012 171.901 174.900 0.021 0.000 1.353 81 G CA -0.635 44.471 45.100 0.009 0.000 1.043 81 G HN 0.350 nan 8.290 nan 0.000 0.523 82 P HA 0.293 nan 4.420 nan 0.000 0.276 82 P C 0.216 177.562 177.300 0.078 0.000 1.261 82 P CA -0.613 62.530 63.100 0.072 0.000 0.800 82 P CB 0.648 32.434 31.700 0.144 0.000 1.066 83 I N 0.229 120.857 120.570 0.095 0.000 3.114 83 I HA -0.135 4.035 4.170 0.000 0.000 0.320 83 I C 0.786 176.930 176.117 0.046 0.000 1.230 83 I CA 1.274 62.614 61.300 0.068 0.000 1.440 83 I CB -0.609 37.440 38.000 0.081 0.000 1.334 83 I HN 0.349 nan 8.210 nan 0.000 0.532 84 S N 6.225 121.936 115.700 0.018 0.000 2.536 84 S HA 0.830 5.300 4.470 0.000 0.000 0.298 84 S C -0.533 174.053 174.600 -0.024 0.000 1.083 84 S CA -0.897 57.301 58.200 -0.003 0.000 0.995 84 S CB 2.134 65.332 63.200 -0.003 0.000 1.058 84 S HN 0.507 nan 8.310 nan 0.000 0.488 85 V N -1.440 118.449 119.914 -0.043 0.000 2.715 85 V HA 0.756 4.876 4.120 0.000 0.000 0.310 85 V C -3.122 172.914 176.094 -0.097 0.000 1.054 85 V CA -2.981 59.281 62.300 -0.065 0.000 0.928 85 V CB 0.912 32.694 31.823 -0.068 0.000 1.007 85 V HN 0.708 nan 8.190 nan 0.000 0.437 86 P HA 0.317 nan 4.420 nan 0.000 0.268 86 P C -0.555 176.598 177.300 -0.245 0.000 1.205 86 P CA 0.089 63.095 63.100 -0.156 0.000 0.771 86 P CB 0.859 32.480 31.700 -0.131 0.000 0.858 87 V N -0.020 119.676 119.914 -0.364 0.000 2.735 87 V HA 1.010 5.130 4.120 0.000 0.000 0.310 87 V C 0.101 175.676 176.094 -0.866 0.000 1.061 87 V CA -0.227 61.670 62.300 -0.671 0.000 0.913 87 V CB 1.211 32.548 31.823 -0.810 0.000 1.005 87 V HN 0.954 nan 8.190 nan 0.000 0.428 88 G N 3.487 111.690 108.800 -0.995 0.000 2.371 88 G HA2 -0.039 3.921 3.960 0.000 0.000 0.663 88 G HA3 -0.039 3.921 3.960 0.000 0.000 0.663 88 G C -0.122 174.639 174.900 -0.232 0.000 1.311 88 G CA -0.201 44.536 45.100 -0.605 0.000 0.985 88 G HN 0.840 nan 8.290 nan 0.000 0.566 89 R N 0.219 120.746 120.500 0.045 0.000 2.241 89 R HA -0.042 4.298 4.340 0.000 0.000 0.224 89 R C 1.879 178.164 176.300 -0.024 0.000 1.101 89 R CA 1.548 57.704 56.100 0.094 0.000 0.995 89 R CB -0.075 30.282 30.300 0.095 0.000 0.870 89 R HN 0.569 nan 8.270 nan 0.000 0.463 90 E N -0.016 120.150 120.200 -0.057 0.000 2.472 90 E HA -0.108 4.242 4.350 0.000 0.000 0.200 90 E C 1.625 178.182 176.600 -0.072 0.000 1.046 90 E CA 1.425 57.787 56.400 -0.064 0.000 0.871 90 E CB -0.149 29.507 29.700 -0.073 0.000 0.806 90 E HN 0.489 nan 8.360 nan 0.000 0.533 91 T N -1.251 113.257 114.554 -0.077 0.000 3.035 91 T HA 0.090 4.440 4.350 0.000 0.000 0.259 91 T C 1.251 175.924 174.700 -0.045 0.000 1.078 91 T CA -0.154 61.906 62.100 -0.066 0.000 1.132 91 T CB -0.187 68.635 68.868 -0.077 0.000 0.900 91 T HN -0.023 nan 8.240 nan 0.000 0.480 92 L N 2.085 123.272 121.223 -0.060 0.000 2.499 92 L HA 0.421 4.761 4.340 0.000 0.000 0.273 92 L C 1.727 178.558 176.870 -0.065 0.000 1.195 92 L CA 0.941 55.717 54.840 -0.106 0.000 0.882 92 L CB -0.003 41.888 42.059 -0.280 0.000 1.133 92 L HN 0.571 nan 8.230 nan 0.000 0.483 93 G N 1.680 110.462 108.800 -0.030 0.000 2.217 93 G HA2 -0.206 3.754 3.960 0.000 0.000 0.246 93 G HA3 -0.206 3.754 3.960 0.000 0.000 0.246 93 G C 0.340 175.264 174.900 0.040 0.000 0.990 93 G CA -0.439 44.674 45.100 0.022 0.000 0.627 93 G HN 0.462 nan 8.290 nan 0.000 0.522 94 R N 0.028 120.515 120.500 -0.022 0.000 2.573 94 R HA 0.709 5.049 4.340 0.000 0.000 0.272 94 R C 0.246 176.465 176.300 -0.136 0.000 1.009 94 R CA -1.048 55.014 56.100 -0.064 0.000 1.059 94 R CB 0.684 30.945 30.300 -0.065 0.000 1.112 94 R HN 0.296 nan 8.270 nan 0.000 0.517 95 I N 3.465 123.919 120.570 -0.194 0.000 2.412 95 I HA 0.323 4.493 4.170 0.000 0.000 0.279 95 I C 0.213 176.222 176.117 -0.179 0.000 1.063 95 I CA -0.266 60.871 61.300 -0.271 0.000 1.193 95 I CB 0.451 38.245 38.000 -0.343 0.000 1.370 95 I HN 0.264 nan 8.210 nan 0.000 0.479 96 I N 5.274 125.745 120.570 -0.166 0.000 2.677 96 I HA 0.239 4.409 4.170 0.000 0.000 0.305 96 I C 0.417 176.491 176.117 -0.071 0.000 0.988 96 I CA -0.429 60.812 61.300 -0.100 0.000 1.260 96 I CB 1.107 39.055 38.000 -0.087 0.000 1.410 96 I HN 0.595 nan 8.210 nan 0.000 0.523 97 N N 2.759 121.443 118.700 -0.026 0.000 2.823 97 N HA 0.104 4.844 4.740 0.000 0.000 0.324 97 N C 0.469 175.985 175.510 0.011 0.000 1.336 97 N CA -0.729 52.330 53.050 0.013 0.000 0.861 97 N CB 0.064 38.569 38.487 0.029 0.000 1.157 97 N HN 0.324 nan 8.380 nan 0.000 0.585 98 V N -0.634 119.296 119.914 0.027 0.000 2.720 98 V HA -0.035 4.085 4.120 0.000 0.000 0.256 98 V C 1.343 177.444 176.094 0.012 0.000 1.082 98 V CA 1.505 63.819 62.300 0.023 0.000 1.101 98 V CB -0.847 30.995 31.823 0.033 0.000 0.693 98 V HN 0.612 nan 8.190 nan 0.000 0.479 99 I N -2.831 117.743 120.570 0.007 0.000 3.974 99 I HA 0.575 4.745 4.170 0.000 0.000 0.334 99 I C 1.442 177.554 176.117 -0.008 0.000 1.437 99 I CA 0.533 61.837 61.300 0.005 0.000 1.113 99 I CB 0.072 38.078 38.000 0.011 0.000 1.063 99 I HN 0.240 nan 8.210 nan 0.000 0.400 100 G N 1.445 110.234 108.800 -0.018 0.000 2.268 100 G HA2 -0.255 3.705 3.960 0.000 0.000 0.240 100 G HA3 -0.255 3.705 3.960 0.000 0.000 0.240 100 G C 0.082 174.960 174.900 -0.037 0.000 1.010 100 G CA 0.013 45.092 45.100 -0.034 0.000 0.618 100 G HN 0.548 nan 8.290 nan 0.000 0.516 101 E N 2.099 122.283 120.200 -0.027 0.000 2.371 101 E HA 0.470 4.820 4.350 0.000 0.000 0.257 101 E C -2.020 174.560 176.600 -0.033 0.000 1.134 101 E CA -1.324 55.060 56.400 -0.028 0.000 0.919 101 E CB 1.030 30.719 29.700 -0.018 0.000 1.025 101 E HN 0.299 nan 8.360 nan 0.000 0.438 102 P HA 0.153 nan 4.420 nan 0.000 0.278 102 P C -0.037 177.242 177.300 -0.035 0.000 1.266 102 P CA -0.019 63.053 63.100 -0.046 0.000 0.807 102 P CB 0.561 32.232 31.700 -0.049 0.000 1.094 103 I N -3.542 117.002 120.570 -0.044 0.000 4.453 103 I HA 0.239 4.409 4.170 0.000 0.000 0.342 103 I C 0.405 176.491 176.117 -0.052 0.000 1.341 103 I CA -0.198 61.084 61.300 -0.029 0.000 1.217 103 I CB 0.047 38.048 38.000 0.001 0.000 1.545 103 I HN 0.044 nan 8.210 nan 0.000 0.557 104 D N 1.172 121.519 120.400 -0.088 0.000 2.340 104 D HA -0.047 4.593 4.640 0.000 0.000 0.220 104 D C 0.552 176.821 176.300 -0.051 0.000 1.039 104 D CA 0.145 54.071 54.000 -0.124 0.000 0.866 104 D CB -0.169 40.500 40.800 -0.219 0.000 0.913 104 D HN 0.484 nan 8.370 nan 0.000 0.523 105 E N -0.520 119.662 120.200 -0.031 0.000 2.539 105 E HA -0.258 4.092 4.350 0.000 0.000 0.253 105 E C 0.593 177.192 176.600 -0.002 0.000 1.145 105 E CA 0.199 56.593 56.400 -0.011 0.000 0.738 105 E CB -0.739 28.961 29.700 -0.000 0.000 1.308 105 E HN 0.374 nan 8.360 nan 0.000 0.409 106 R N -0.494 120.001 120.500 -0.008 0.000 2.362 106 R HA 0.207 4.548 4.340 0.000 0.000 0.227 106 R C 0.900 177.198 176.300 -0.003 0.000 0.905 106 R CA 0.680 56.782 56.100 0.003 0.000 1.067 106 R CB 1.091 31.398 30.300 0.011 0.000 1.078 106 R HN 0.338 nan 8.270 nan 0.000 0.516 107 G N 1.714 110.508 108.800 -0.010 0.000 2.352 107 G HA2 -0.157 3.803 3.960 0.000 0.000 0.324 107 G HA3 -0.157 3.803 3.960 0.000 0.000 0.324 107 G C -2.890 171.999 174.900 -0.018 0.000 1.249 107 G CA -1.055 44.038 45.100 -0.011 0.000 1.053 107 G HN 0.024 nan 8.290 nan 0.000 0.492 108 P HA 0.658 nan 4.420 nan 0.000 0.284 108 P C -0.485 176.797 177.300 -0.030 0.000 1.258 108 P CA -0.590 62.495 63.100 -0.025 0.000 0.824 108 P CB 1.029 32.716 31.700 -0.021 0.000 1.038 109 I N 2.731 123.277 120.570 -0.040 0.000 2.436 109 I HA 0.069 4.239 4.170 0.000 0.000 0.289 109 I C 1.649 177.736 176.117 -0.050 0.000 1.083 109 I CA 0.137 61.407 61.300 -0.049 0.000 1.372 109 I CB 0.125 38.086 38.000 -0.065 0.000 1.408 109 I HN 0.066 nan 8.210 nan 0.000 0.516 110 K N 3.492 123.865 120.400 -0.044 0.000 2.632 110 K HA 0.089 4.409 4.320 0.000 0.000 0.196 110 K C 0.463 177.033 176.600 -0.051 0.000 1.023 110 K CA 0.120 56.384 56.287 -0.039 0.000 1.098 110 K CB -0.176 32.307 32.500 -0.028 0.000 0.862 110 K HN 0.508 nan 8.250 nan 0.000 0.504 111 S N 1.043 116.699 115.700 -0.073 0.000 2.531 111 S HA 0.083 4.553 4.470 0.000 0.000 0.279 111 S C 1.178 175.721 174.600 -0.093 0.000 1.305 111 S CA -0.138 57.999 58.200 -0.105 0.000 1.058 111 S CB 0.836 63.944 63.200 -0.154 0.000 0.899 111 S HN 0.185 nan 8.310 nan 0.000 0.493 112 K N 2.892 123.239 120.400 -0.088 0.000 1.978 112 K HA -0.007 4.313 4.320 0.000 0.000 0.214 112 K C 0.545 177.107 176.600 -0.063 0.000 1.049 112 K CA 0.983 57.235 56.287 -0.059 0.000 0.939 112 K CB -0.101 32.378 32.500 -0.035 0.000 0.721 112 K HN 0.494 nan 8.250 nan 0.000 0.441 113 L N 0.912 122.080 121.223 -0.091 0.000 2.360 113 L HA 0.260 4.600 4.340 0.000 0.000 0.271 113 L C -0.066 176.742 176.870 -0.103 0.000 1.057 113 L CA -0.578 54.217 54.840 -0.075 0.000 0.803 113 L CB 1.472 43.507 42.059 -0.040 0.000 1.207 113 L HN 0.141 nan 8.230 nan 0.000 0.445 114 R N 2.783 123.243 120.500 -0.066 0.000 2.337 114 R HA 0.314 4.654 4.340 0.000 0.000 0.319 114 R C -0.985 175.291 176.300 -0.040 0.000 0.954 114 R CA -0.717 55.344 56.100 -0.064 0.000 0.840 114 R CB 1.406 31.679 30.300 -0.045 0.000 1.164 114 R HN 0.415 nan 8.270 nan 0.000 0.472 115 K N 3.954 124.326 120.400 -0.047 0.000 2.156 115 K HA 0.320 4.640 4.320 0.000 0.000 0.271 115 K C -2.400 174.194 176.600 -0.010 0.000 0.995 115 K CA -2.115 54.163 56.287 -0.015 0.000 0.890 115 K CB 1.683 34.183 32.500 0.000 0.000 1.073 115 K HN 0.252 nan 8.250 nan 0.000 0.454 116 P HA -0.065 nan 4.420 nan 0.000 0.258 116 P C 0.864 178.169 177.300 0.009 0.000 1.172 116 P CA 0.404 63.521 63.100 0.027 0.000 0.762 116 P CB 0.071 31.797 31.700 0.044 0.000 0.764 117 I N 0.446 121.007 120.570 -0.015 0.000 3.001 117 I HA -0.028 4.142 4.170 0.000 0.000 0.268 117 I C 0.398 176.391 176.117 -0.207 0.000 1.267 117 I CA 0.890 62.123 61.300 -0.112 0.000 1.472 117 I CB -0.472 37.435 38.000 -0.155 0.000 1.089 117 I HN 0.255 nan 8.210 nan 0.000 0.468 118 H N 2.902 121.977 119.070 0.008 0.000 2.741 118 H HA 0.694 5.250 4.556 0.000 0.000 0.261 118 H C -0.265 175.067 175.328 0.005 0.000 1.365 118 H CA -0.160 55.894 56.048 0.010 0.000 1.266 118 H CB 0.659 30.428 29.762 0.012 0.000 1.485 118 H HN 0.452 nan 8.280 nan 0.000 0.529 119 A N 2.477 125.338 122.820 0.069 0.000 2.387 119 A HA 0.409 4.729 4.320 0.000 0.000 0.303 119 A C -0.453 177.152 177.584 0.036 0.000 1.145 119 A CA -0.920 51.144 52.037 0.045 0.000 0.801 119 A CB 1.358 20.370 19.000 0.020 0.000 1.342 119 A HN 0.360 nan 8.150 nan 0.000 0.440 120 D N 1.637 122.053 120.400 0.027 0.000 2.264 120 D HA 0.478 5.118 4.640 0.000 0.000 0.250 120 D C -2.277 174.029 176.300 0.010 0.000 1.113 120 D CA -0.770 53.243 54.000 0.022 0.000 0.871 120 D CB 0.698 41.511 40.800 0.022 0.000 1.167 120 D HN 0.163 nan 8.370 nan 0.000 0.447 121 P HA 0.080 nan 4.420 nan 0.000 0.266 121 P C -2.410 174.892 177.300 0.003 0.000 1.193 121 P CA -0.648 62.451 63.100 -0.003 0.000 0.770 121 P CB -0.315 31.384 31.700 -0.001 0.000 0.836 122 P HA -0.023 nan 4.420 nan 0.000 0.265 122 P C 0.204 177.510 177.300 0.009 0.000 1.187 122 P CA 0.180 63.276 63.100 -0.008 0.000 0.766 122 P CB 0.242 31.926 31.700 -0.027 0.000 0.820 123 S N 2.803 118.516 115.700 0.021 0.000 2.553 123 S HA -0.099 4.370 4.470 0.000 0.000 0.271 123 S C 1.043 175.690 174.600 0.078 0.000 1.362 123 S CA -0.247 57.988 58.200 0.059 0.000 1.010 123 S CB -0.242 62.990 63.200 0.054 0.000 0.865 123 S HN 0.418 nan 8.310 nan 0.000 0.543 124 F N 3.249 123.196 119.950 -0.005 0.000 2.095 124 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 124 F C 2.367 178.163 175.800 -0.007 0.000 1.104 124 F CA 2.122 60.119 58.000 -0.005 0.000 1.232 124 F CB -0.981 38.017 39.000 -0.003 0.000 0.987 124 F HN 0.735 nan 8.300 nan 0.000 0.475 125 A N -0.120 122.776 122.820 0.127 0.000 2.024 125 A HA -0.211 4.109 4.320 0.000 0.000 0.220 125 A C 1.880 179.422 177.584 -0.071 0.000 1.164 125 A CA 1.927 53.986 52.037 0.037 0.000 0.643 125 A CB -0.776 18.276 19.000 0.086 0.000 0.806 125 A HN 0.652 nan 8.150 nan 0.000 0.451 126 E N -0.235 119.920 120.200 -0.075 0.000 2.474 126 E HA 0.033 4.383 4.350 0.000 0.000 0.195 126 E C -0.051 176.480 176.600 -0.114 0.000 1.039 126 E CA -0.293 56.062 56.400 -0.075 0.000 0.881 126 E CB 0.130 29.804 29.700 -0.044 0.000 0.970 126 E HN 0.505 nan 8.360 nan 0.000 0.486 127 Q N 1.368 121.055 119.800 -0.190 0.000 2.332 127 Q HA 0.077 4.417 4.340 0.000 0.000 0.263 127 Q C -0.009 175.875 176.000 -0.193 0.000 0.979 127 Q CA 0.068 55.745 55.803 -0.212 0.000 0.885 127 Q CB 1.457 29.997 28.738 -0.330 0.000 1.218 127 Q HN 0.018 nan 8.270 nan 0.000 0.405 128 S N 1.461 117.080 115.700 -0.136 0.000 2.515 128 S HA 0.011 4.481 4.470 0.000 0.000 0.285 128 S C 1.159 175.687 174.600 -0.119 0.000 1.265 128 S CA -0.007 58.128 58.200 -0.108 0.000 1.079 128 S CB 0.298 63.450 63.200 -0.079 0.000 0.877 128 S HN 0.626 nan 8.310 nan 0.000 0.493 129 T N 2.371 116.861 114.554 -0.106 0.000 3.035 129 T HA 0.117 4.467 4.350 0.000 0.000 0.268 129 T C 0.458 175.120 174.700 -0.064 0.000 1.109 129 T CA 0.233 62.275 62.100 -0.096 0.000 1.119 129 T CB -0.094 68.729 68.868 -0.075 0.000 0.900 129 T HN 0.412 nan 8.240 nan 0.000 0.503 130 S N 0.647 116.314 115.700 -0.055 0.000 2.571 130 S HA 0.715 5.185 4.470 0.000 0.000 0.284 130 S C -0.375 174.201 174.600 -0.040 0.000 1.128 130 S CA -1.036 57.139 58.200 -0.041 0.000 0.970 130 S CB 1.716 64.897 63.200 -0.032 0.000 1.039 130 S HN 0.630 nan 8.310 nan 0.000 0.485 131 A N 3.046 125.844 122.820 -0.036 0.000 2.388 131 A HA 0.631 4.951 4.320 0.000 0.000 0.257 131 A C 0.378 177.944 177.584 -0.030 0.000 1.095 131 A CA -0.287 51.730 52.037 -0.034 0.000 0.791 131 A CB 0.196 19.179 19.000 -0.028 0.000 1.029 131 A HN 0.844 nan 8.150 nan 0.000 0.489 132 E N 1.490 121.672 120.200 -0.030 0.000 2.450 132 E HA 0.604 4.954 4.350 0.000 0.000 0.272 132 E C -1.354 175.231 176.600 -0.025 0.000 0.967 132 E CA -0.906 55.478 56.400 -0.027 0.000 0.818 132 E CB 0.950 30.636 29.700 -0.023 0.000 1.401 132 E HN 0.344 nan 8.360 nan 0.000 0.450 133 I N 1.826 122.383 120.570 -0.022 0.000 2.321 133 I HA 0.222 4.392 4.170 0.000 0.000 0.291 133 I C -0.161 175.951 176.117 -0.008 0.000 0.998 133 I CA -0.848 60.444 61.300 -0.013 0.000 1.227 133 I CB 0.875 38.856 38.000 -0.032 0.000 1.368 133 I HN 0.520 nan 8.210 nan 0.000 0.466 134 L N 6.753 127.961 121.223 -0.024 0.000 2.361 134 L HA 0.163 4.503 4.340 0.000 0.000 0.278 134 L C 0.631 177.482 176.870 -0.032 0.000 1.113 134 L CA 0.328 55.104 54.840 -0.105 0.000 0.849 134 L CB 0.308 42.292 42.059 -0.125 0.000 1.155 134 L HN 0.596 nan 8.230 nan 0.000 0.452 135 E N 2.398 122.637 120.200 0.065 0.000 2.089 135 E HA 0.098 4.448 4.350 0.000 0.000 0.284 135 E C 0.509 177.187 176.600 0.130 0.000 1.023 135 E CA 0.178 56.672 56.400 0.157 0.000 0.819 135 E CB 0.874 30.717 29.700 0.238 0.000 1.076 135 E HN 0.808 nan 8.360 nan 0.000 0.396 136 T N 1.225 115.759 114.554 -0.033 0.000 3.054 136 T HA 0.193 4.543 4.350 0.000 0.000 0.259 136 T C 1.438 176.081 174.700 -0.095 0.000 1.092 136 T CA 0.597 62.638 62.100 -0.097 0.000 1.121 136 T CB 0.105 68.815 68.868 -0.263 0.000 0.912 136 T HN 0.704 nan 8.240 nan 0.000 0.489 137 G N 1.361 110.124 108.800 -0.062 0.000 2.176 137 G HA2 -0.188 3.772 3.960 0.000 0.000 0.253 137 G HA3 -0.188 3.772 3.960 0.000 0.000 0.253 137 G C -0.024 174.847 174.900 -0.048 0.000 0.979 137 G CA 0.076 45.144 45.100 -0.053 0.000 0.641 137 G HN 0.664 nan 8.290 nan 0.000 0.530 138 I N 0.937 121.465 120.570 -0.071 0.000 2.312 138 I HA 0.295 4.465 4.170 0.000 0.000 0.290 138 I C 1.564 177.691 176.117 0.017 0.000 1.008 138 I CA -0.864 60.444 61.300 0.013 0.000 1.226 138 I CB 1.388 39.380 38.000 -0.013 0.000 1.371 138 I HN -0.035 nan 8.210 nan 0.000 0.468 139 K N 3.676 124.099 120.400 0.039 0.000 2.000 139 K HA -0.196 4.124 4.320 0.000 0.000 0.218 139 K C 1.819 178.394 176.600 -0.043 0.000 1.053 139 K CA 1.928 58.208 56.287 -0.011 0.000 0.946 139 K CB -0.292 32.202 32.500 -0.012 0.000 0.723 139 K HN 0.577 nan 8.250 nan 0.000 0.446 140 V N 0.729 120.656 119.914 0.022 0.000 2.317 140 V HA -0.246 3.874 4.120 0.000 0.000 0.251 140 V C 2.304 178.405 176.094 0.012 0.000 1.065 140 V CA 1.884 64.198 62.300 0.023 0.000 1.049 140 V CB -0.803 31.091 31.823 0.119 0.000 0.651 140 V HN 0.110 nan 8.190 nan 0.000 0.450 141 V N -0.072 119.860 119.914 0.030 0.000 2.446 141 V HA -0.095 4.026 4.120 0.000 0.000 0.244 141 V C 2.242 178.279 176.094 -0.096 0.000 1.039 141 V CA 1.795 64.080 62.300 -0.025 0.000 1.045 141 V CB -0.513 31.260 31.823 -0.084 0.000 0.681 141 V HN 0.468 nan 8.190 nan 0.000 0.459 142 D N -0.123 120.224 120.400 -0.088 0.000 2.224 142 D HA -0.080 4.560 4.640 0.000 0.000 0.205 142 D C 1.817 178.153 176.300 0.061 0.000 0.965 142 D CA 0.903 54.880 54.000 -0.038 0.000 0.852 142 D CB 0.149 40.937 40.800 -0.019 0.000 0.947 142 D HN 0.328 nan 8.370 nan 0.000 0.494 143 L N -0.204 121.001 121.223 -0.029 0.000 2.121 143 L HA 0.089 4.429 4.340 0.000 0.000 0.200 143 L C 1.965 178.828 176.870 -0.011 0.000 1.077 143 L CA 1.221 56.001 54.840 -0.099 0.000 0.766 143 L CB -0.286 41.533 42.059 -0.400 0.000 0.931 143 L HN -0.066 nan 8.230 nan 0.000 0.452 144 L N -0.723 120.465 121.223 -0.058 0.000 2.221 144 L HA 0.236 4.576 4.340 0.000 0.000 0.202 144 L C 0.923 177.815 176.870 0.038 0.000 1.074 144 L CA 0.683 55.503 54.840 -0.033 0.000 0.795 144 L CB -0.305 41.721 42.059 -0.055 0.000 0.960 144 L HN 0.274 nan 8.230 nan 0.000 0.458 145 A N 0.696 123.555 122.820 0.065 0.000 3.258 145 A HA 0.445 4.765 4.320 0.000 0.000 0.318 145 A C -2.480 175.197 177.584 0.155 0.000 0.990 145 A CA -1.201 50.907 52.037 0.119 0.000 0.885 145 A CB -0.324 18.765 19.000 0.147 0.000 1.090 145 A HN -0.083 nan 8.150 nan 0.000 0.479 146 P HA 0.072 nan 4.420 nan 0.000 0.271 146 P C -0.962 176.498 177.300 0.266 0.000 1.233 146 P CA 0.248 63.407 63.100 0.099 0.000 0.789 146 P CB 0.582 32.304 31.700 0.037 0.000 0.951 147 Y N -0.386 119.916 120.300 0.003 0.000 2.313 147 Y HA 0.397 4.947 4.550 0.000 0.000 0.332 147 Y C 0.958 176.833 175.900 -0.041 0.000 1.071 147 Y CA -1.756 56.334 58.100 -0.017 0.000 1.169 147 Y CB 0.425 38.867 38.460 -0.029 0.000 1.192 147 Y HN 0.370 nan 8.280 nan 0.000 0.487 148 A N 5.525 128.387 122.820 0.070 0.000 2.451 148 A HA 0.222 4.542 4.320 0.000 0.000 0.266 148 A C 0.676 178.241 177.584 -0.032 0.000 1.119 148 A CA -0.550 51.487 52.037 -0.000 0.000 0.786 148 A CB -0.122 18.861 19.000 -0.029 0.000 1.061 148 A HN 0.775 nan 8.150 nan 0.000 0.503 149 R N 2.511 122.989 120.500 -0.036 0.000 2.401 149 R HA 0.306 4.646 4.340 0.000 0.000 0.299 149 R C 1.145 177.402 176.300 -0.073 0.000 1.064 149 R CA 1.256 57.317 56.100 -0.065 0.000 1.000 149 R CB -0.021 30.240 30.300 -0.065 0.000 0.973 149 R HN 1.639 nan 8.270 nan 0.000 0.438 150 G N 2.714 111.461 108.800 -0.089 0.000 2.166 150 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 150 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 150 G C 0.209 175.052 174.900 -0.094 0.000 0.986 150 G CA 0.266 45.313 45.100 -0.089 0.000 0.683 150 G HN 0.910 nan 8.290 nan 0.000 0.527 151 G N -1.034 107.702 108.800 -0.106 0.000 2.552 151 G HA2 0.700 4.660 3.960 0.000 0.000 0.324 151 G HA3 0.700 4.660 3.960 0.000 0.000 0.324 151 G C -0.282 174.519 174.900 -0.165 0.000 1.217 151 G CA -0.731 44.302 45.100 -0.111 0.000 0.989 151 G HN 0.337 nan 8.290 nan 0.000 0.490 152 K N -1.048 119.255 120.400 -0.162 0.000 2.106 152 K HA 0.686 5.006 4.320 0.000 0.000 0.246 152 K C -0.866 175.574 176.600 -0.267 0.000 0.987 152 K CA -0.299 55.860 56.287 -0.213 0.000 0.904 152 K CB 1.798 34.195 32.500 -0.171 0.000 1.071 152 K HN 0.240 nan 8.250 nan 0.000 0.453 153 I N 0.660 121.031 120.570 -0.332 0.000 2.512 153 I HA 0.269 4.439 4.170 0.000 0.000 0.287 153 I C -0.098 175.827 176.117 -0.319 0.000 1.069 153 I CA -0.445 60.628 61.300 -0.378 0.000 1.056 153 I CB 2.194 39.783 38.000 -0.686 0.000 1.229 153 I HN 0.628 nan 8.210 nan 0.000 0.429 154 G N 5.935 114.555 108.800 -0.300 0.000 2.354 154 G HA2 0.434 4.394 3.960 0.000 0.000 0.266 154 G HA3 0.434 4.394 3.960 0.000 0.000 0.266 154 G C -0.845 173.792 174.900 -0.438 0.000 1.242 154 G CA -0.191 44.623 45.100 -0.478 0.000 0.923 154 G HN 0.471 nan 8.290 nan 0.000 0.476 155 L N 3.621 124.550 121.223 -0.489 0.000 2.280 155 L HA 0.711 5.051 4.340 0.000 0.000 0.287 155 L C -1.212 175.412 176.870 -0.411 0.000 1.023 155 L CA -1.092 53.578 54.840 -0.284 0.000 0.819 155 L CB 0.474 42.477 42.059 -0.093 0.000 1.212 155 L HN 0.359 nan 8.230 nan 0.000 0.420 156 F N 3.977 123.919 119.950 -0.015 0.000 2.469 156 F HA 0.806 5.333 4.527 0.000 0.000 0.332 156 F C 0.882 176.685 175.800 0.005 0.000 1.103 156 F CA -0.012 57.991 58.000 0.005 0.000 0.979 156 F CB 2.044 41.052 39.000 0.013 0.000 1.137 156 F HN 0.765 nan 8.300 nan 0.000 0.463 157 G N 1.507 110.447 108.800 0.234 0.000 2.885 157 G HA2 0.288 4.248 3.960 0.000 0.000 0.685 157 G HA3 0.288 4.248 3.960 0.000 0.000 0.685 157 G C -0.067 174.907 174.900 0.123 0.000 1.216 157 G CA -0.691 44.501 45.100 0.152 0.000 0.790 157 G HN 1.068 nan 8.290 nan 0.000 0.631 158 G N 0.566 109.441 108.800 0.124 0.000 3.107 158 G HA2 0.781 4.741 3.960 0.000 0.000 0.155 158 G HA3 0.781 4.741 3.960 0.000 0.000 0.155 158 G C 0.897 175.855 174.900 0.097 0.000 1.875 158 G CA 1.061 46.231 45.100 0.117 0.000 1.004 158 G HN 2.148 nan 8.290 nan 0.000 0.480 159 A N -2.923 119.950 122.820 0.089 0.000 2.299 159 A HA 0.650 4.970 4.320 0.000 0.000 0.332 159 A C 1.026 178.658 177.584 0.080 0.000 1.131 159 A CA 0.558 52.643 52.037 0.079 0.000 0.844 159 A CB 0.908 19.950 19.000 0.070 0.000 1.251 159 A HN 2.290 nan 8.150 nan 0.000 0.486 160 G N -1.362 107.486 108.800 0.080 0.000 2.213 160 G HA2 -0.153 3.807 3.960 0.000 0.000 0.236 160 G HA3 -0.153 3.807 3.960 0.000 0.000 0.236 160 G C 0.675 175.643 174.900 0.114 0.000 0.991 160 G CA 0.933 46.087 45.100 0.090 0.000 0.629 160 G HN 2.090 nan 8.290 nan 0.000 0.517 161 V N -1.709 118.271 119.914 0.109 0.000 3.342 161 V HA 0.647 4.767 4.120 0.000 0.000 0.322 161 V C 1.658 177.829 176.094 0.128 0.000 1.370 161 V CA 0.673 63.054 62.300 0.135 0.000 1.170 161 V CB -0.204 31.682 31.823 0.104 0.000 1.101 161 V HN 2.152 nan 8.190 nan 0.000 0.442 162 G N 1.456 110.303 108.800 0.078 0.000 2.246 162 G HA2 -0.354 3.606 3.960 0.000 0.000 0.273 162 G HA3 -0.354 3.606 3.960 0.000 0.000 0.273 162 G C 0.805 175.764 174.900 0.098 0.000 1.055 162 G CA 0.877 45.993 45.100 0.027 0.000 0.851 162 G HN 0.655 nan 8.290 nan 0.000 0.500 163 K N -0.344 120.114 120.400 0.095 0.000 2.026 163 K HA -0.126 4.194 4.320 0.000 0.000 0.208 163 K C 2.869 179.563 176.600 0.157 0.000 1.048 163 K CA 2.223 58.585 56.287 0.125 0.000 0.929 163 K CB -0.290 32.270 32.500 0.100 0.000 0.713 163 K HN 0.606 nan 8.250 nan 0.000 0.439 164 T N -1.820 112.792 114.554 0.096 0.000 2.985 164 T HA -0.026 4.324 4.350 0.000 0.000 0.266 164 T C 1.949 176.654 174.700 0.008 0.000 1.076 164 T CA 0.927 63.064 62.100 0.062 0.000 1.135 164 T CB -0.228 68.655 68.868 0.026 0.000 0.890 164 T HN -0.004 nan 8.240 nan 0.000 0.480 165 V N 0.671 120.582 119.914 -0.005 0.000 2.295 165 V HA -0.037 4.083 4.120 0.000 0.000 0.246 165 V C 2.171 178.300 176.094 0.058 0.000 1.049 165 V CA 1.898 64.172 62.300 -0.042 0.000 1.024 165 V CB -0.960 30.800 31.823 -0.105 0.000 0.648 165 V HN 0.496 nan 8.190 nan 0.000 0.447 166 F N 0.347 120.318 119.950 0.036 0.000 2.102 166 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 166 F C 2.176 177.968 175.800 -0.012 0.000 1.105 166 F CA 1.782 59.829 58.000 0.078 0.000 1.239 166 F CB -0.177 38.911 39.000 0.147 0.000 0.991 166 F HN 0.035 nan 8.300 nan 0.000 0.474 167 I N -0.110 120.558 120.570 0.163 0.000 2.264 167 I HA -0.354 3.816 4.170 0.000 0.000 0.248 167 I C 2.328 178.285 176.117 -0.267 0.000 1.111 167 I CA 1.495 62.731 61.300 -0.107 0.000 1.382 167 I CB -0.556 37.314 38.000 -0.218 0.000 1.060 167 I HN 0.314 nan 8.210 nan 0.000 0.418 168 Q N 0.099 119.788 119.800 -0.184 0.000 2.083 168 Q HA -0.251 4.089 4.340 0.000 0.000 0.198 168 Q C 2.110 177.992 176.000 -0.196 0.000 0.969 168 Q CA 1.453 57.152 55.803 -0.174 0.000 0.838 168 Q CB -0.043 28.613 28.738 -0.136 0.000 0.900 168 Q HN 0.340 nan 8.270 nan 0.000 0.436 169 E N 0.900 120.915 120.200 -0.309 0.000 2.110 169 E HA -0.164 4.186 4.350 0.000 0.000 0.193 169 E C 1.733 178.103 176.600 -0.383 0.000 0.988 169 E CA 0.876 57.004 56.400 -0.453 0.000 0.804 169 E CB -0.157 28.950 29.700 -0.989 0.000 0.745 169 E HN 0.277 nan 8.360 nan 0.000 0.458 170 L N -0.075 120.951 121.223 -0.329 0.000 2.046 170 L HA -0.170 4.170 4.340 0.000 0.000 0.208 170 L C 2.409 179.296 176.870 0.028 0.000 1.077 170 L CA 1.139 55.904 54.840 -0.124 0.000 0.747 170 L CB -0.398 41.708 42.059 0.078 0.000 0.896 170 L HN 0.228 nan 8.230 nan 0.000 0.432 171 I N 0.110 120.723 120.570 0.072 0.000 2.099 171 I HA -0.356 3.814 4.170 0.000 0.000 0.239 171 I C 2.383 178.521 176.117 0.035 0.000 1.066 171 I CA 1.908 63.276 61.300 0.114 0.000 1.324 171 I CB -0.518 37.533 38.000 0.084 0.000 1.037 171 I HN 0.378 nan 8.210 nan 0.000 0.401 172 N N 1.224 119.908 118.700 -0.026 0.000 2.104 172 N HA -0.235 4.505 4.740 0.000 0.000 0.190 172 N C 1.559 177.037 175.510 -0.054 0.000 1.024 172 N CA 2.007 55.033 53.050 -0.041 0.000 0.853 172 N CB -0.205 38.239 38.487 -0.071 0.000 1.008 172 N HN 0.204 nan 8.380 nan 0.000 0.424 173 N N -0.162 118.486 118.700 -0.086 0.000 2.188 173 N HA -0.012 4.728 4.740 0.000 0.000 0.184 173 N C 1.324 176.823 175.510 -0.017 0.000 1.018 173 N CA 0.676 53.679 53.050 -0.080 0.000 0.858 173 N CB -0.175 38.227 38.487 -0.141 0.000 0.989 173 N HN 0.287 nan 8.380 nan 0.000 0.426 174 I N 0.760 121.331 120.570 0.002 0.000 2.394 174 I HA -0.077 4.093 4.170 0.000 0.000 0.251 174 I C 2.068 178.175 176.117 -0.017 0.000 1.136 174 I CA 0.513 61.830 61.300 0.029 0.000 1.425 174 I CB -1.413 36.584 38.000 -0.004 0.000 1.079 174 I HN 0.030 nan 8.210 nan 0.000 0.425 175 A N 0.560 123.353 122.820 -0.046 0.000 1.855 175 A HA -0.163 4.157 4.320 0.000 0.000 0.215 175 A C 2.328 179.857 177.584 -0.091 0.000 1.191 175 A CA 1.248 53.225 52.037 -0.099 0.000 0.613 175 A CB -0.359 18.620 19.000 -0.035 0.000 0.829 175 A HN 0.201 nan 8.150 nan 0.000 0.442 176 K N -0.630 119.734 120.400 -0.060 0.000 2.217 176 K HA 0.065 4.385 4.320 0.000 0.000 0.202 176 K C 1.975 178.529 176.600 -0.077 0.000 1.051 176 K CA 1.115 57.365 56.287 -0.061 0.000 0.952 176 K CB -0.120 32.351 32.500 -0.049 0.000 0.736 176 K HN 0.477 nan 8.250 nan 0.000 0.453 177 A N -0.035 122.736 122.820 -0.081 0.000 1.983 177 A HA 0.029 4.349 4.320 0.000 0.000 0.207 177 A C 1.633 179.084 177.584 -0.222 0.000 1.412 177 A CA 0.202 52.149 52.037 -0.150 0.000 0.750 177 A CB -0.335 18.573 19.000 -0.154 0.000 1.047 177 A HN 0.198 nan 8.150 nan 0.000 0.504 178 H N -0.552 118.464 119.070 -0.090 0.000 2.548 178 H HA 0.180 4.736 4.556 -0.000 0.000 0.265 178 H C 1.579 176.828 175.328 -0.132 0.000 0.969 178 H CA 0.746 56.737 56.048 -0.095 0.000 1.155 178 H CB 0.310 30.021 29.762 -0.085 0.000 1.394 178 H HN 0.683 nan 8.280 nan 0.000 0.570 179 G N 0.845 109.597 108.800 -0.080 0.000 2.155 179 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 179 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 179 G C 0.716 175.408 174.900 -0.347 0.000 0.983 179 G CA 0.340 45.323 45.100 -0.195 0.000 0.676 179 G HN 0.685 nan 8.290 nan 0.000 0.528 180 G N -0.836 107.801 108.800 -0.273 0.000 2.412 180 G HA2 0.674 4.634 3.960 0.000 0.000 0.318 180 G HA3 0.674 4.634 3.960 0.000 0.000 0.318 180 G C -0.183 174.472 174.900 -0.407 0.000 1.146 180 G CA -0.838 44.057 45.100 -0.342 0.000 0.882 180 G HN 0.139 nan 8.290 nan 0.000 0.501 181 F N -0.013 119.783 119.950 -0.258 0.000 2.364 181 F HA 0.645 5.172 4.527 0.000 0.000 0.316 181 F C 1.007 176.709 175.800 -0.164 0.000 1.133 181 F CA -0.492 57.333 58.000 -0.292 0.000 1.051 181 F CB 1.532 40.154 39.000 -0.631 0.000 1.342 181 F HN 0.318 nan 8.300 nan 0.000 0.507 182 S N -0.530 115.277 115.700 0.177 0.000 2.599 182 S HA 0.772 5.242 4.470 0.000 0.000 0.287 182 S C -1.421 173.316 174.600 0.227 0.000 1.105 182 S CA -0.785 57.537 58.200 0.204 0.000 0.899 182 S CB 2.274 65.687 63.200 0.355 0.000 1.100 182 S HN 0.253 nan 8.310 nan 0.000 0.482 183 V N 2.480 122.544 119.914 0.251 0.000 2.447 183 V HA 0.431 4.551 4.120 0.000 0.000 0.292 183 V C -1.450 174.843 176.094 0.331 0.000 1.021 183 V CA -0.538 61.906 62.300 0.240 0.000 0.850 183 V CB 1.092 33.017 31.823 0.171 0.000 1.005 183 V HN 0.834 nan 8.190 nan 0.000 0.426 184 F N 4.061 124.124 119.950 0.189 0.000 2.391 184 F HA 0.626 5.153 4.527 0.000 0.000 0.359 184 F C 0.524 176.367 175.800 0.071 0.000 1.122 184 F CA -0.045 58.072 58.000 0.195 0.000 1.120 184 F CB 1.258 40.307 39.000 0.083 0.000 1.142 184 F HN 0.454 nan 8.300 nan 0.000 0.483 185 T N 4.928 119.541 114.554 0.098 0.000 2.771 185 T HA 0.475 4.825 4.350 0.000 0.000 0.281 185 T C 0.252 175.091 174.700 0.230 0.000 0.982 185 T CA -0.555 61.632 62.100 0.145 0.000 0.978 185 T CB 1.174 70.066 68.868 0.040 0.000 0.930 185 T HN 0.827 nan 8.240 nan 0.000 0.447 186 G N 2.337 111.439 108.800 0.504 0.000 2.571 186 G HA2 0.480 4.440 3.960 0.000 0.000 0.327 186 G HA3 0.480 4.440 3.960 0.000 0.000 0.327 186 G C -0.279 174.813 174.900 0.320 0.000 1.008 186 G CA -0.374 45.077 45.100 0.584 0.000 1.136 186 G HN 0.659 nan 8.290 nan 0.000 0.444 187 V N 2.584 122.617 119.914 0.197 0.000 2.368 187 V HA 0.557 4.677 4.120 0.000 0.000 0.266 187 V C 1.233 177.391 176.094 0.106 0.000 1.045 187 V CA 0.541 62.924 62.300 0.139 0.000 0.899 187 V CB 0.645 32.545 31.823 0.129 0.000 1.006 187 V HN 1.252 nan 8.190 nan 0.000 0.470 188 G N 3.982 112.830 108.800 0.079 0.000 2.298 188 G HA2 -0.243 3.717 3.960 0.000 0.000 0.287 188 G HA3 -0.243 3.717 3.960 0.000 0.000 0.287 188 G C -0.086 174.836 174.900 0.037 0.000 1.075 188 G CA 0.379 45.502 45.100 0.039 0.000 0.960 188 G HN 0.836 nan 8.290 nan 0.000 0.502 189 E N 0.038 120.266 120.200 0.047 0.000 2.289 189 E HA 0.465 4.815 4.350 0.000 0.000 0.278 189 E C 1.093 177.652 176.600 -0.067 0.000 1.032 189 E CA -0.741 55.660 56.400 0.001 0.000 0.854 189 E CB 0.388 30.075 29.700 -0.022 0.000 1.046 189 E HN 0.384 nan 8.360 nan 0.000 0.409 190 R N 3.086 123.546 120.500 -0.066 0.000 2.502 190 R HA 0.004 4.344 4.340 0.000 0.000 0.292 190 R C 0.610 176.824 176.300 -0.142 0.000 0.998 190 R CA 0.451 56.504 56.100 -0.079 0.000 1.056 190 R CB 0.419 30.688 30.300 -0.053 0.000 0.939 190 R HN 0.700 nan 8.270 nan 0.000 0.411 191 T N 2.498 116.978 114.554 -0.122 0.000 2.962 191 T HA -0.113 4.237 4.350 0.000 0.000 0.270 191 T C 1.721 176.343 174.700 -0.129 0.000 1.088 191 T CA 0.853 62.862 62.100 -0.150 0.000 1.127 191 T CB -0.080 68.732 68.868 -0.093 0.000 0.883 191 T HN 0.515 nan 8.240 nan 0.000 0.493 192 R N 1.162 121.609 120.500 -0.088 0.000 2.096 192 R HA -0.094 4.246 4.340 0.000 0.000 0.235 192 R C 2.072 178.325 176.300 -0.078 0.000 1.127 192 R CA 1.475 57.538 56.100 -0.063 0.000 0.968 192 R CB -0.020 30.258 30.300 -0.036 0.000 0.861 192 R HN 0.488 nan 8.270 nan 0.000 0.440 193 E N -1.149 118.988 120.200 -0.105 0.000 2.112 193 E HA -0.049 4.301 4.350 0.000 0.000 0.190 193 E C 1.829 178.311 176.600 -0.197 0.000 0.979 193 E CA 0.810 57.145 56.400 -0.107 0.000 0.814 193 E CB -0.112 29.546 29.700 -0.072 0.000 0.762 193 E HN 0.522 nan 8.360 nan 0.000 0.460 194 G N 1.445 110.000 108.800 -0.407 0.000 2.501 194 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 194 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 194 G C 1.391 176.119 174.900 -0.287 0.000 1.114 194 G CA 0.660 45.270 45.100 -0.818 0.000 0.757 194 G HN 0.159 nan 8.290 nan 0.000 0.559 195 N N 0.404 119.023 118.700 -0.135 0.000 2.368 195 N HA -0.065 4.675 4.740 0.000 0.000 0.178 195 N C 1.296 176.837 175.510 0.052 0.000 1.021 195 N CA 0.714 53.773 53.050 0.016 0.000 0.875 195 N CB 0.083 38.568 38.487 -0.002 0.000 1.020 195 N HN 0.112 nan 8.380 nan 0.000 0.433 196 D N 1.184 121.586 120.400 0.004 0.000 2.178 196 D HA -0.119 4.521 4.640 0.000 0.000 0.202 196 D C 1.976 178.288 176.300 0.020 0.000 0.974 196 D CA 0.329 54.338 54.000 0.016 0.000 0.841 196 D CB 0.091 40.895 40.800 0.007 0.000 0.953 196 D HN 0.228 nan 8.370 nan 0.000 0.478 197 L N 0.174 121.401 121.223 0.006 0.000 1.973 197 L HA -0.199 4.141 4.340 0.000 0.000 0.208 197 L C 2.392 179.292 176.870 0.051 0.000 1.073 197 L CA 1.392 56.223 54.840 -0.015 0.000 0.746 197 L CB -0.829 41.179 42.059 -0.084 0.000 0.891 197 L HN -0.040 nan 8.230 nan 0.000 0.433 198 Y N 0.474 120.775 120.300 0.000 0.000 2.139 198 Y HA -0.351 4.199 4.550 0.000 0.000 0.282 198 Y C 2.874 178.777 175.900 0.004 0.000 1.179 198 Y CA 2.320 60.431 58.100 0.017 0.000 1.161 198 Y CB -0.388 38.117 38.460 0.076 0.000 0.970 198 Y HN 0.191 nan 8.280 nan 0.000 0.511 199 R N 0.288 120.754 120.500 -0.056 0.000 2.073 199 R HA -0.214 4.126 4.340 0.000 0.000 0.234 199 R C 2.446 178.691 176.300 -0.091 0.000 1.134 199 R CA 1.892 57.915 56.100 -0.129 0.000 0.952 199 R CB -0.463 29.823 30.300 -0.023 0.000 0.850 199 R HN 0.614 nan 8.270 nan 0.000 0.433 200 E N 0.180 120.370 120.200 -0.018 0.000 2.077 200 E HA -0.218 4.132 4.350 0.000 0.000 0.193 200 E C 2.041 178.635 176.600 -0.010 0.000 0.989 200 E CA 1.267 57.688 56.400 0.036 0.000 0.800 200 E CB -0.062 29.670 29.700 0.055 0.000 0.746 200 E HN 0.363 nan 8.360 nan 0.000 0.452 201 M N 0.355 119.919 119.600 -0.060 0.000 2.149 201 M HA -0.182 4.298 4.480 0.000 0.000 0.261 201 M C 2.197 178.440 176.300 -0.095 0.000 1.064 201 M CA 1.572 56.828 55.300 -0.074 0.000 1.102 201 M CB -0.114 32.452 32.600 -0.058 0.000 1.369 201 M HN 0.064 nan 8.290 nan 0.000 0.408 202 K N 0.216 120.513 120.400 -0.173 0.000 1.984 202 K HA -0.154 4.166 4.320 0.000 0.000 0.209 202 K C 1.668 178.224 176.600 -0.075 0.000 1.046 202 K CA 1.374 57.561 56.287 -0.166 0.000 0.934 202 K CB -0.253 32.086 32.500 -0.268 0.000 0.717 202 K HN 0.374 nan 8.250 nan 0.000 0.438 203 E N -0.074 120.101 120.200 -0.042 0.000 2.333 203 E HA -0.177 4.173 4.350 0.000 0.000 0.200 203 E C 1.637 178.280 176.600 0.072 0.000 1.010 203 E CA 1.039 57.454 56.400 0.024 0.000 0.841 203 E CB 0.014 29.761 29.700 0.079 0.000 0.757 203 E HN 0.213 nan 8.360 nan 0.000 0.508 204 T N -2.329 112.249 114.554 0.040 0.000 3.034 204 T HA 0.193 4.543 4.350 0.000 0.000 0.248 204 T C 1.217 175.922 174.700 0.009 0.000 1.040 204 T CA 0.988 63.109 62.100 0.035 0.000 1.107 204 T CB 0.410 69.272 68.868 -0.009 0.000 0.932 204 T HN 0.384 nan 8.240 nan 0.000 0.474 205 G N 0.265 109.062 108.800 -0.006 0.000 2.284 205 G HA2 -0.268 3.692 3.960 0.000 0.000 0.201 205 G HA3 -0.268 3.692 3.960 0.000 0.000 0.201 205 G C 1.191 176.087 174.900 -0.005 0.000 0.998 205 G CA 0.553 45.650 45.100 -0.005 0.000 0.651 205 G HN 0.920 nan 8.290 nan 0.000 0.489 206 V N -0.791 119.116 119.914 -0.011 0.000 2.809 206 V HA 0.444 4.564 4.120 0.000 0.000 0.256 206 V C 1.164 177.260 176.094 0.002 0.000 1.080 206 V CA 1.278 63.578 62.300 0.001 0.000 1.102 206 V CB -0.230 31.588 31.823 -0.007 0.000 0.705 206 V HN 0.434 nan 8.190 nan 0.000 0.475 207 I N 2.482 123.042 120.570 -0.016 0.000 2.382 207 I HA 0.449 4.619 4.170 0.000 0.000 0.285 207 I C -0.660 175.438 176.117 -0.031 0.000 1.007 207 I CA -0.225 61.066 61.300 -0.015 0.000 1.142 207 I CB 1.348 39.342 38.000 -0.011 0.000 1.289 207 I HN 0.143 nan 8.210 nan 0.000 0.453 208 N N 7.155 125.848 118.700 -0.012 0.000 2.479 208 N HA 0.352 5.092 4.740 0.000 0.000 0.261 208 N C 0.481 175.989 175.510 -0.004 0.000 0.979 208 N CA -0.442 52.600 53.050 -0.013 0.000 0.930 208 N CB 1.516 40.001 38.487 -0.003 0.000 1.172 208 N HN 0.546 nan 8.380 nan 0.000 0.499 209 L N 2.111 123.331 121.223 -0.005 0.000 2.131 209 L HA -0.086 4.254 4.340 0.000 0.000 0.210 209 L C 1.340 178.216 176.870 0.010 0.000 1.092 209 L CA 1.329 56.176 54.840 0.013 0.000 0.759 209 L CB 0.058 42.127 42.059 0.017 0.000 0.903 209 L HN 0.570 nan 8.230 nan 0.000 0.435 210 E N -0.833 119.369 120.200 0.005 0.000 2.244 210 E HA 0.092 4.442 4.350 0.000 0.000 0.196 210 E C 1.413 178.017 176.600 0.006 0.000 0.939 210 E CA 0.383 56.787 56.400 0.005 0.000 0.884 210 E CB 0.124 29.826 29.700 0.004 0.000 0.850 210 E HN 0.389 nan 8.360 nan 0.000 0.481 211 G N 0.600 109.404 108.800 0.006 0.000 2.546 211 G HA2 0.101 4.061 3.960 0.000 0.000 0.239 211 G HA3 0.101 4.061 3.960 0.000 0.000 0.239 211 G C -0.271 174.637 174.900 0.012 0.000 1.476 211 G CA -0.511 44.595 45.100 0.011 0.000 1.064 211 G HN -0.047 nan 8.290 nan 0.000 0.561 212 E N 0.057 120.271 120.200 0.022 0.000 2.259 212 E HA 0.347 4.697 4.350 0.000 0.000 0.281 212 E C -0.528 176.084 176.600 0.020 0.000 1.027 212 E CA 0.016 56.433 56.400 0.029 0.000 0.838 212 E CB 1.451 31.190 29.700 0.066 0.000 1.066 212 E HN 0.128 nan 8.360 nan 0.000 0.401 213 S N 1.753 117.446 115.700 -0.013 0.000 2.608 213 S HA 0.200 4.670 4.470 0.000 0.000 0.291 213 S C 0.731 175.307 174.600 -0.040 0.000 1.146 213 S CA -0.579 57.607 58.200 -0.024 0.000 1.043 213 S CB 1.144 64.319 63.200 -0.042 0.000 1.037 213 S HN 0.388 nan 8.310 nan 0.000 0.520 214 K N 0.589 121.003 120.400 0.024 0.000 2.354 214 K HA 0.301 4.621 4.320 0.000 0.000 0.194 214 K C -0.173 176.471 176.600 0.074 0.000 1.045 214 K CA 0.146 56.516 56.287 0.139 0.000 1.026 214 K CB 0.857 33.459 32.500 0.171 0.000 0.866 214 K HN 0.301 nan 8.250 nan 0.000 0.530 215 V N 0.413 120.333 119.914 0.010 0.000 2.789 215 V HA 0.694 4.814 4.120 0.000 0.000 0.311 215 V C -1.794 174.310 176.094 0.017 0.000 1.073 215 V CA -0.928 61.402 62.300 0.050 0.000 0.921 215 V CB 1.829 33.705 31.823 0.089 0.000 1.009 215 V HN 0.057 nan 8.190 nan 0.000 0.426 216 A N 7.290 130.144 122.820 0.057 0.000 2.277 216 A HA 0.719 5.039 4.320 0.000 0.000 0.318 216 A C -0.654 176.931 177.584 0.002 0.000 1.339 216 A CA -0.528 51.526 52.037 0.028 0.000 0.875 216 A CB 0.278 19.324 19.000 0.076 0.000 1.158 216 A HN 0.836 nan 8.150 nan 0.000 0.514 217 L N 2.675 123.840 121.223 -0.096 0.000 2.349 217 L HA 0.485 4.825 4.340 0.000 0.000 0.275 217 L C -0.637 176.029 176.870 -0.340 0.000 1.115 217 L CA -0.461 54.222 54.840 -0.262 0.000 0.820 217 L CB 1.366 43.151 42.059 -0.456 0.000 1.135 217 L HN 0.399 nan 8.230 nan 0.000 0.445 218 V N 3.611 123.300 119.914 -0.376 0.000 2.524 218 V HA 0.399 4.519 4.120 0.000 0.000 0.297 218 V C -0.827 175.129 176.094 -0.230 0.000 1.035 218 V CA -0.483 61.665 62.300 -0.252 0.000 0.867 218 V CB 1.687 33.471 31.823 -0.065 0.000 1.004 218 V HN 0.349 nan 8.190 nan 0.000 0.426 219 F N 2.241 122.222 119.950 0.051 0.000 2.467 219 F HA 0.765 5.292 4.527 -0.000 0.000 0.336 219 F C 0.809 176.630 175.800 0.035 0.000 1.123 219 F CA -1.349 56.684 58.000 0.054 0.000 0.964 219 F CB 2.213 41.227 39.000 0.024 0.000 1.136 219 F HN 0.520 nan 8.300 nan 0.000 0.447 220 G N 3.210 112.159 108.800 0.249 0.000 2.955 220 G HA2 0.468 4.428 3.960 0.000 0.000 0.336 220 G HA3 0.468 4.428 3.960 0.000 0.000 0.336 220 G C -0.707 174.258 174.900 0.108 0.000 1.264 220 G CA -0.479 44.703 45.100 0.137 0.000 1.096 220 G HN 0.546 nan 8.290 nan 0.000 0.486 221 Q N 1.397 121.244 119.800 0.079 0.000 2.340 221 Q HA 0.263 4.603 4.340 0.000 0.000 0.249 221 Q C 1.720 177.725 176.000 0.008 0.000 0.957 221 Q CA -0.452 55.367 55.803 0.025 0.000 0.882 221 Q CB 1.906 30.638 28.738 -0.010 0.000 1.235 221 Q HN 0.599 nan 8.270 nan 0.000 0.439 222 M N 2.252 121.847 119.600 -0.009 0.000 2.116 222 M HA -0.322 4.158 4.480 0.000 0.000 0.255 222 M C 1.458 177.750 176.300 -0.013 0.000 1.075 222 M CA 2.061 57.353 55.300 -0.013 0.000 1.087 222 M CB -0.156 32.431 32.600 -0.021 0.000 1.340 222 M HN 0.780 nan 8.290 nan 0.000 0.402 223 N N -0.083 118.608 118.700 -0.014 0.000 2.520 223 N HA -0.104 4.636 4.740 0.000 0.000 0.185 223 N C 0.148 175.654 175.510 -0.007 0.000 1.068 223 N CA 0.705 53.748 53.050 -0.012 0.000 0.911 223 N CB -0.571 37.909 38.487 -0.013 0.000 0.961 223 N HN 0.477 nan 8.380 nan 0.000 0.446 224 E N 1.294 121.493 120.200 -0.002 0.000 2.397 224 E HA 0.231 4.581 4.350 0.000 0.000 0.254 224 E C -2.175 174.421 176.600 -0.007 0.000 1.231 224 E CA -1.407 54.993 56.400 0.001 0.000 0.954 224 E CB 0.396 30.102 29.700 0.010 0.000 1.024 224 E HN 0.257 nan 8.360 nan 0.000 0.481 225 P HA 0.144 nan 4.420 nan 0.000 0.282 225 P C -2.360 174.928 177.300 -0.020 0.000 1.259 225 P CA -1.558 61.534 63.100 -0.014 0.000 0.826 225 P CB 0.719 32.414 31.700 -0.010 0.000 1.064 226 P HA -0.280 nan 4.420 nan 0.000 0.222 226 P C 1.656 178.927 177.300 -0.048 0.000 1.157 226 P CA 2.650 65.719 63.100 -0.051 0.000 0.905 226 P CB -0.656 31.012 31.700 -0.054 0.000 0.792 227 G N -0.467 108.316 108.800 -0.027 0.000 2.446 227 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 227 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 227 G C 1.694 176.593 174.900 -0.000 0.000 1.168 227 G CA 1.161 46.253 45.100 -0.012 0.000 0.771 227 G HN 0.409 nan 8.290 nan 0.000 0.551 228 A N 0.530 123.352 122.820 0.004 0.000 1.930 228 A HA 0.036 4.356 4.320 0.000 0.000 0.217 228 A C 2.436 180.031 177.584 0.019 0.000 1.175 228 A CA 1.669 53.716 52.037 0.016 0.000 0.627 228 A CB -0.324 18.686 19.000 0.018 0.000 0.815 228 A HN 0.334 nan 8.150 nan 0.000 0.443 229 R N -0.637 119.864 120.500 0.002 0.000 2.148 229 R HA 0.094 4.434 4.340 0.000 0.000 0.223 229 R C 2.239 178.531 176.300 -0.013 0.000 1.088 229 R CA 0.933 57.035 56.100 0.002 0.000 0.985 229 R CB -0.304 29.982 30.300 -0.022 0.000 0.880 229 R HN 0.498 nan 8.270 nan 0.000 0.451 230 A N 0.609 123.398 122.820 -0.051 0.000 2.014 230 A HA -0.072 4.248 4.320 0.000 0.000 0.218 230 A C 1.590 179.187 177.584 0.022 0.000 1.163 230 A CA 1.050 53.024 52.037 -0.106 0.000 0.652 230 A CB 0.042 18.963 19.000 -0.132 0.000 0.808 230 A HN 0.064 nan 8.150 nan 0.000 0.449 231 R N -0.632 119.896 120.500 0.046 0.000 2.307 231 R HA 0.088 4.428 4.340 0.000 0.000 0.200 231 R C 1.778 178.103 176.300 0.042 0.000 0.893 231 R CA 1.136 57.266 56.100 0.050 0.000 1.042 231 R CB -1.179 29.144 30.300 0.038 0.000 1.059 231 R HN 0.476 nan 8.270 nan 0.000 0.530 232 V N -0.094 119.856 119.914 0.059 0.000 2.568 232 V HA -0.143 3.977 4.120 0.000 0.000 0.253 232 V C 2.405 178.530 176.094 0.052 0.000 1.072 232 V CA 1.706 64.040 62.300 0.057 0.000 1.084 232 V CB -1.263 30.611 31.823 0.085 0.000 0.676 232 V HN 0.143 nan 8.190 nan 0.000 0.469 233 A N 1.407 124.276 122.820 0.081 0.000 1.835 233 A HA -0.093 4.227 4.320 0.000 0.000 0.215 233 A C 2.233 179.809 177.584 -0.015 0.000 1.199 233 A CA 2.184 54.244 52.037 0.039 0.000 0.615 233 A CB -0.763 18.286 19.000 0.082 0.000 0.838 233 A HN 0.517 nan 8.150 nan 0.000 0.444 234 L N -0.544 120.671 121.223 -0.013 0.000 2.187 234 L HA -0.193 4.147 4.340 0.000 0.000 0.213 234 L C 2.708 179.523 176.870 -0.092 0.000 1.100 234 L CA 1.695 56.481 54.840 -0.089 0.000 0.765 234 L CB -1.343 40.608 42.059 -0.181 0.000 0.904 234 L HN 0.408 nan 8.230 nan 0.000 0.437 235 T N 0.129 114.648 114.554 -0.059 0.000 2.564 235 T HA -0.137 4.213 4.350 0.000 0.000 0.259 235 T C 1.856 176.533 174.700 -0.038 0.000 1.087 235 T CA 1.620 63.692 62.100 -0.047 0.000 1.184 235 T CB -0.656 68.198 68.868 -0.023 0.000 0.864 235 T HN 0.533 nan 8.240 nan 0.000 0.403 236 G N 1.183 109.971 108.800 -0.020 0.000 2.475 236 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 236 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 236 G C 1.526 176.422 174.900 -0.007 0.000 1.125 236 G CA 0.855 45.952 45.100 -0.006 0.000 0.755 236 G HN 0.383 nan 8.290 nan 0.000 0.565 237 L N 1.064 122.268 121.223 -0.032 0.000 2.141 237 L HA 0.010 4.350 4.340 0.000 0.000 0.209 237 L C 2.887 179.744 176.870 -0.023 0.000 1.094 237 L CA 2.359 57.176 54.840 -0.039 0.000 0.763 237 L CB -0.631 41.387 42.059 -0.069 0.000 0.908 237 L HN 0.210 nan 8.230 nan 0.000 0.437 238 T N -0.794 113.741 114.554 -0.033 0.000 2.942 238 T HA -0.037 4.313 4.350 0.000 0.000 0.265 238 T C 1.947 176.629 174.700 -0.029 0.000 1.062 238 T CA 1.492 63.576 62.100 -0.027 0.000 1.139 238 T CB -0.262 68.581 68.868 -0.041 0.000 0.883 238 T HN 0.297 nan 8.240 nan 0.000 0.468 239 I N 1.826 122.368 120.570 -0.048 0.000 2.179 239 I HA -0.129 4.041 4.170 0.000 0.000 0.242 239 I C 2.954 179.073 176.117 0.003 0.000 1.088 239 I CA 1.227 62.467 61.300 -0.100 0.000 1.357 239 I CB -0.514 37.455 38.000 -0.052 0.000 1.051 239 I HN 0.190 nan 8.210 nan 0.000 0.409 240 A N 0.052 122.945 122.820 0.122 0.000 2.066 240 A HA -0.154 4.166 4.320 0.000 0.000 0.218 240 A C 2.165 179.846 177.584 0.162 0.000 1.157 240 A CA 1.299 53.468 52.037 0.221 0.000 0.670 240 A CB -0.422 18.648 19.000 0.118 0.000 0.804 240 A HN 0.418 nan 8.150 nan 0.000 0.453 241 E N -1.524 118.725 120.200 0.082 0.000 2.028 241 E HA -0.132 4.218 4.350 0.000 0.000 0.190 241 E C 1.739 178.384 176.600 0.075 0.000 0.984 241 E CA 1.157 57.590 56.400 0.056 0.000 0.800 241 E CB -0.334 29.379 29.700 0.021 0.000 0.758 241 E HN 0.713 nan 8.360 nan 0.000 0.448 242 Y N 0.359 120.612 120.300 -0.079 0.000 2.069 242 Y HA -0.352 4.198 4.550 0.000 0.000 0.278 242 Y C 1.851 177.726 175.900 -0.042 0.000 1.175 242 Y CA 1.811 59.839 58.100 -0.120 0.000 1.134 242 Y CB -0.282 38.021 38.460 -0.262 0.000 0.965 242 Y HN 0.033 nan 8.280 nan 0.000 0.498 243 F N 0.493 120.599 119.950 0.260 0.000 2.091 243 F HA -0.268 4.259 4.527 0.000 0.000 0.299 243 F C 2.790 178.614 175.800 0.040 0.000 1.103 243 F CA 2.138 60.252 58.000 0.190 0.000 1.228 243 F CB -1.007 38.119 39.000 0.211 0.000 0.984 243 F HN 0.087 nan 8.300 nan 0.000 0.477 244 R N 0.405 121.024 120.500 0.198 0.000 2.062 244 R HA -0.140 4.200 4.340 0.000 0.000 0.231 244 R C 1.835 178.130 176.300 -0.008 0.000 1.136 244 R CA 2.055 58.196 56.100 0.068 0.000 0.948 244 R CB -0.476 29.846 30.300 0.037 0.000 0.845 244 R HN 0.131 nan 8.270 nan 0.000 0.430 245 D N 0.301 120.668 120.400 -0.056 0.000 2.097 245 D HA -0.129 4.511 4.640 0.000 0.000 0.197 245 D C 1.915 178.108 176.300 -0.178 0.000 0.984 245 D CA 1.248 55.182 54.000 -0.110 0.000 0.826 245 D CB -0.081 40.651 40.800 -0.113 0.000 0.973 245 D HN 0.354 nan 8.370 nan 0.000 0.460 246 E N 0.543 120.541 120.200 -0.336 0.000 2.057 246 E HA 0.001 4.351 4.350 0.000 0.000 0.190 246 E C 1.727 178.211 176.600 -0.195 0.000 0.969 246 E CA 0.431 56.586 56.400 -0.409 0.000 0.812 246 E CB -0.094 29.006 29.700 -1.000 0.000 0.777 246 E HN 0.393 nan 8.360 nan 0.000 0.455 247 E N 0.084 120.227 120.200 -0.095 0.000 2.478 247 E HA 0.114 4.464 4.350 0.000 0.000 0.194 247 E C 0.280 176.902 176.600 0.037 0.000 1.045 247 E CA 0.252 56.683 56.400 0.052 0.000 0.868 247 E CB 0.430 30.271 29.700 0.235 0.000 0.885 247 E HN 0.302 nan 8.360 nan 0.000 0.505 248 G N 2.384 111.189 108.800 0.008 0.000 2.326 248 G HA2 -0.296 3.664 3.960 0.000 0.000 0.286 248 G HA3 -0.296 3.664 3.960 0.000 0.000 0.286 248 G C -0.227 174.673 174.900 0.000 0.000 1.096 248 G CA 0.247 45.344 45.100 -0.004 0.000 1.003 248 G HN 0.208 nan 8.290 nan 0.000 0.503 249 Q N -0.726 119.083 119.800 0.016 0.000 2.359 249 Q HA 0.464 4.804 4.340 0.000 0.000 0.275 249 Q C -1.002 174.985 176.000 -0.021 0.000 1.082 249 Q CA -1.008 54.789 55.803 -0.009 0.000 0.849 249 Q CB 1.345 30.081 28.738 -0.004 0.000 1.377 249 Q HN 0.296 nan 8.270 nan 0.000 0.452 250 D N 1.656 122.023 120.400 -0.053 0.000 2.359 250 D HA 0.277 4.917 4.640 0.000 0.000 0.230 250 D C -0.963 175.285 176.300 -0.088 0.000 1.118 250 D CA -0.060 53.891 54.000 -0.082 0.000 0.844 250 D CB 1.281 42.001 40.800 -0.133 0.000 1.059 250 D HN 0.101 nan 8.370 nan 0.000 0.493 251 V N 2.590 122.467 119.914 -0.062 0.000 2.513 251 V HA 0.390 4.510 4.120 0.000 0.000 0.299 251 V C 0.519 176.561 176.094 -0.088 0.000 1.035 251 V CA -0.975 61.301 62.300 -0.040 0.000 0.889 251 V CB 1.833 33.689 31.823 0.055 0.000 0.988 251 V HN 0.328 nan 8.190 nan 0.000 0.440 252 L N 4.563 125.730 121.223 -0.093 0.000 2.350 252 L HA 0.586 4.926 4.340 0.000 0.000 0.275 252 L C -0.511 176.211 176.870 -0.247 0.000 1.099 252 L CA -0.385 54.309 54.840 -0.243 0.000 0.808 252 L CB 1.403 43.327 42.059 -0.224 0.000 1.149 252 L HN 0.513 nan 8.230 nan 0.000 0.442 253 L N 2.682 123.634 121.223 -0.451 0.000 2.410 253 L HA 0.558 4.898 4.340 0.000 0.000 0.270 253 L C -1.514 175.001 176.870 -0.592 0.000 0.983 253 L CA 0.087 54.731 54.840 -0.327 0.000 0.822 253 L CB 1.678 43.623 42.059 -0.190 0.000 1.285 253 L HN 0.225 nan 8.230 nan 0.000 0.409 254 F N 6.056 125.892 119.950 -0.191 0.000 2.382 254 F HA 0.519 5.046 4.527 -0.000 0.000 0.361 254 F C -0.059 175.455 175.800 -0.477 0.000 1.109 254 F CA -0.478 57.305 58.000 -0.361 0.000 1.031 254 F CB 1.072 39.764 39.000 -0.514 0.000 1.234 254 F HN 0.233 nan 8.300 nan 0.000 0.445 255 I N 3.572 124.024 120.570 -0.197 0.000 2.312 255 I HA 0.173 4.343 4.170 0.000 0.000 0.291 255 I C -0.315 175.716 176.117 -0.143 0.000 1.031 255 I CA 0.096 61.298 61.300 -0.164 0.000 1.293 255 I CB 0.723 38.645 38.000 -0.130 0.000 1.403 255 I HN 0.526 nan 8.210 nan 0.000 0.484 256 D N 6.786 127.112 120.400 -0.123 0.000 2.389 256 D HA 0.180 4.820 4.640 0.000 0.000 0.256 256 D C -1.381 174.975 176.300 0.094 0.000 1.239 256 D CA -0.361 53.630 54.000 -0.015 0.000 0.925 256 D CB 1.012 41.800 40.800 -0.020 0.000 1.145 256 D HN 0.399 nan 8.370 nan 0.000 0.542 257 N N 3.742 122.501 118.700 0.099 0.000 2.295 257 N HA 0.145 4.885 4.740 0.000 0.000 0.293 257 N C 0.673 176.261 175.510 0.130 0.000 1.040 257 N CA -0.660 52.453 53.050 0.105 0.000 0.840 257 N CB 1.633 40.210 38.487 0.149 0.000 1.468 257 N HN 0.293 nan 8.380 nan 0.000 0.478 258 I N 3.415 124.043 120.570 0.096 0.000 2.315 258 I HA -0.133 4.037 4.170 0.000 0.000 0.251 258 I C 1.563 177.826 176.117 0.243 0.000 1.125 258 I CA 1.347 62.710 61.300 0.104 0.000 1.392 258 I CB -0.398 37.597 38.000 -0.009 0.000 1.065 258 I HN 0.666 nan 8.210 nan 0.000 0.424 259 F N 1.538 121.582 119.950 0.156 0.000 2.216 259 F HA -0.159 4.368 4.527 0.000 0.000 0.300 259 F C 2.340 178.262 175.800 0.203 0.000 1.085 259 F CA 1.577 59.709 58.000 0.221 0.000 1.326 259 F CB -0.376 38.803 39.000 0.298 0.000 1.027 259 F HN -0.000 nan 8.300 nan 0.000 0.497 260 R N -0.993 119.502 120.500 -0.009 0.000 2.275 260 R HA -0.050 4.290 4.340 0.000 0.000 0.199 260 R C 2.085 178.359 176.300 -0.044 0.000 0.989 260 R CA 0.834 56.856 56.100 -0.131 0.000 1.016 260 R CB -0.634 29.657 30.300 -0.016 0.000 0.918 260 R HN 0.444 nan 8.270 nan 0.000 0.473 261 F N 1.655 121.562 119.950 -0.072 0.000 2.113 261 F HA -0.164 4.363 4.527 0.000 0.000 0.297 261 F C 1.952 177.715 175.800 -0.062 0.000 1.103 261 F CA 1.579 59.550 58.000 -0.049 0.000 1.248 261 F CB -0.299 38.686 39.000 -0.025 0.000 0.999 261 F HN -0.187 nan 8.300 nan 0.000 0.475 262 T N 0.775 115.390 114.554 0.102 0.000 2.684 262 T HA -0.228 4.122 4.350 0.000 0.000 0.267 262 T C 1.863 176.470 174.700 -0.155 0.000 1.036 262 T CA 1.687 63.806 62.100 0.032 0.000 1.148 262 T CB -0.376 68.604 68.868 0.188 0.000 0.863 262 T HN 0.351 nan 8.240 nan 0.000 0.436 263 Q N 0.503 120.115 119.800 -0.313 0.000 2.124 263 Q HA -0.006 4.334 4.340 0.000 0.000 0.202 263 Q C 2.724 178.585 176.000 -0.231 0.000 0.977 263 Q CA 1.518 57.136 55.803 -0.308 0.000 0.850 263 Q CB -0.472 28.023 28.738 -0.405 0.000 0.901 263 Q HN 0.600 nan 8.270 nan 0.000 0.429 264 A N 0.624 123.291 122.820 -0.254 0.000 1.897 264 A HA -0.017 4.303 4.320 0.000 0.000 0.215 264 A C 2.354 179.792 177.584 -0.242 0.000 1.181 264 A CA 1.519 53.423 52.037 -0.221 0.000 0.620 264 A CB -0.994 17.886 19.000 -0.201 0.000 0.821 264 A HN 0.439 nan 8.150 nan 0.000 0.443 265 G N -0.667 107.907 108.800 -0.377 0.000 2.442 265 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 265 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 265 G C 1.916 176.726 174.900 -0.151 0.000 1.141 265 G CA 1.594 46.511 45.100 -0.304 0.000 0.763 265 G HN 0.561 nan 8.290 nan 0.000 0.554 266 S N 0.258 115.880 115.700 -0.128 0.000 2.343 266 S HA -0.116 4.354 4.470 0.000 0.000 0.219 266 S C 2.245 176.796 174.600 -0.082 0.000 1.033 266 S CA 1.894 60.050 58.200 -0.073 0.000 1.014 266 S CB -0.335 62.808 63.200 -0.096 0.000 0.915 266 S HN 0.567 nan 8.310 nan 0.000 0.435 267 E N -0.043 120.095 120.200 -0.103 0.000 2.058 267 E HA -0.107 4.243 4.350 0.000 0.000 0.194 267 E C 2.129 178.692 176.600 -0.061 0.000 0.997 267 E CA 1.443 57.794 56.400 -0.082 0.000 0.801 267 E CB -0.293 29.356 29.700 -0.085 0.000 0.746 267 E HN 0.330 nan 8.360 nan 0.000 0.450 268 V N 0.550 120.424 119.914 -0.068 0.000 2.626 268 V HA -0.231 3.889 4.120 0.000 0.000 0.252 268 V C 2.330 178.403 176.094 -0.035 0.000 1.067 268 V CA 1.780 64.051 62.300 -0.049 0.000 1.081 268 V CB -0.091 31.699 31.823 -0.055 0.000 0.686 268 V HN 0.258 nan 8.190 nan 0.000 0.468 269 S N -0.187 115.491 115.700 -0.037 0.000 2.357 269 S HA -0.108 4.362 4.470 0.000 0.000 0.221 269 S C 2.136 176.728 174.600 -0.013 0.000 1.031 269 S CA 1.441 59.631 58.200 -0.017 0.000 0.982 269 S CB -0.237 62.959 63.200 -0.007 0.000 0.853 269 S HN 0.621 nan 8.310 nan 0.000 0.458 270 A N 1.002 123.809 122.820 -0.022 0.000 2.015 270 A HA 0.142 4.462 4.320 0.000 0.000 0.219 270 A C 2.164 179.737 177.584 -0.018 0.000 1.163 270 A CA 1.030 53.055 52.037 -0.020 0.000 0.646 270 A CB -0.580 18.399 19.000 -0.034 0.000 0.806 270 A HN 0.576 nan 8.150 nan 0.000 0.448 271 L N -0.831 120.380 121.223 -0.021 0.000 2.131 271 L HA 0.003 4.343 4.340 0.000 0.000 0.206 271 L C 1.740 178.605 176.870 -0.008 0.000 1.087 271 L CA 0.565 55.396 54.840 -0.016 0.000 0.767 271 L CB -0.262 41.785 42.059 -0.019 0.000 0.917 271 L HN 0.326 nan 8.230 nan 0.000 0.441 272 L N 0.201 121.420 121.223 -0.006 0.000 2.711 272 L HA 0.045 4.385 4.340 0.000 0.000 0.242 272 L C 1.220 178.092 176.870 0.004 0.000 1.153 272 L CA 0.475 55.315 54.840 0.001 0.000 0.898 272 L CB -0.923 41.137 42.059 0.003 0.000 1.044 272 L HN 0.489 nan 8.230 nan 0.000 0.437 273 G N 0.705 109.506 108.800 0.001 0.000 2.176 273 G HA2 -0.291 3.669 3.960 0.000 0.000 0.252 273 G HA3 -0.291 3.669 3.960 0.000 0.000 0.252 273 G C 0.201 175.105 174.900 0.006 0.000 1.024 273 G CA -0.238 44.864 45.100 0.003 0.000 0.755 273 G HN 0.436 nan 8.290 nan 0.000 0.507 274 R N 0.172 120.676 120.500 0.006 0.000 2.297 274 R HA 0.420 4.760 4.340 0.000 0.000 0.308 274 R C 1.296 177.604 176.300 0.013 0.000 1.029 274 R CA -0.897 55.210 56.100 0.011 0.000 0.929 274 R CB 0.920 31.228 30.300 0.014 0.000 1.046 274 R HN 0.296 nan 8.270 nan 0.000 0.461 275 I N 4.214 124.794 120.570 0.016 0.000 2.821 275 I HA -0.005 4.165 4.170 0.000 0.000 0.294 275 I C -1.861 174.272 176.117 0.026 0.000 1.210 275 I CA -1.402 59.909 61.300 0.019 0.000 1.430 275 I CB -0.575 37.437 38.000 0.020 0.000 1.356 275 I HN 0.268 nan 8.210 nan 0.000 0.563 276 P HA 0.153 nan 4.420 nan 0.000 0.271 276 P C 0.302 177.636 177.300 0.057 0.000 1.218 276 P CA -0.133 62.991 63.100 0.040 0.000 0.780 276 P CB 0.968 32.684 31.700 0.026 0.000 0.901 277 S N 1.894 117.645 115.700 0.085 0.000 2.207 277 S HA 0.469 4.939 4.470 0.000 0.000 0.226 277 S C 0.171 174.834 174.600 0.104 0.000 1.286 277 S CA -0.053 58.201 58.200 0.090 0.000 1.004 277 S CB -0.430 62.832 63.200 0.103 0.000 0.907 277 S HN 0.525 nan 8.310 nan 0.000 0.443 278 A N 0.321 123.211 122.820 0.116 0.000 2.454 278 A HA 0.485 4.805 4.320 0.000 0.000 0.260 278 A C 0.572 178.280 177.584 0.207 0.000 1.106 278 A CA 0.090 52.200 52.037 0.121 0.000 0.780 278 A CB -0.644 18.408 19.000 0.087 0.000 1.044 278 A HN 1.537 nan 8.150 nan 0.000 0.498 279 V N 1.582 121.594 119.914 0.164 0.000 5.658 279 V HA -0.255 3.865 4.120 0.000 0.000 0.312 279 V C 1.542 177.719 176.094 0.139 0.000 0.480 279 V CA 1.312 63.722 62.300 0.183 0.000 0.684 279 V CB -2.560 29.421 31.823 0.264 0.000 0.426 279 V HN 2.830 nan 8.190 nan 0.000 1.241 280 G N -2.063 106.779 108.800 0.070 0.000 2.168 280 G HA2 -0.347 3.613 3.960 0.000 0.000 0.257 280 G HA3 -0.347 3.613 3.960 0.000 0.000 0.257 280 G C -0.166 174.677 174.900 -0.096 0.000 0.997 280 G CA 0.731 45.812 45.100 -0.030 0.000 0.708 280 G HN 0.989 nan 8.290 nan 0.000 0.520 281 Y N 0.457 120.780 120.300 0.039 0.000 2.408 281 Y HA 0.514 5.064 4.550 0.000 0.000 0.324 281 Y C 1.119 177.034 175.900 0.024 0.000 1.302 281 Y CA -0.362 57.760 58.100 0.036 0.000 1.384 281 Y CB 0.566 39.061 38.460 0.058 0.000 1.367 281 Y HN 0.336 nan 8.280 nan 0.000 0.525 282 Q N 1.971 121.905 119.800 0.223 0.000 2.314 282 Q HA 0.186 4.526 4.340 0.000 0.000 0.258 282 Q C -2.523 173.544 176.000 0.112 0.000 0.954 282 Q CA -1.829 54.045 55.803 0.118 0.000 0.890 282 Q CB 1.322 30.105 28.738 0.076 0.000 1.210 282 Q HN 0.361 nan 8.270 nan 0.000 0.410 283 P HA -0.112 nan 4.420 nan 0.000 0.217 283 P C 0.946 178.284 177.300 0.063 0.000 1.150 283 P CA 1.746 64.885 63.100 0.066 0.000 0.832 283 P CB -0.135 31.594 31.700 0.049 0.000 0.787 284 T N -2.706 111.885 114.554 0.062 0.000 3.320 284 T HA -0.049 4.301 4.350 0.000 0.000 0.258 284 T C 1.457 176.209 174.700 0.087 0.000 1.176 284 T CA 0.037 62.177 62.100 0.066 0.000 1.037 284 T CB -1.102 67.800 68.868 0.056 0.000 0.958 284 T HN -0.119 nan 8.240 nan 0.000 0.545 285 L N 1.688 122.967 121.223 0.092 0.000 1.978 285 L HA -0.084 4.256 4.340 0.000 0.000 0.218 285 L C 2.693 179.638 176.870 0.124 0.000 1.075 285 L CA 2.278 57.182 54.840 0.107 0.000 0.767 285 L CB -1.327 40.775 42.059 0.072 0.000 0.890 285 L HN 0.366 nan 8.230 nan 0.000 0.434 286 A N -1.483 121.399 122.820 0.104 0.000 1.832 286 A HA -0.181 4.139 4.320 0.000 0.000 0.214 286 A C 2.229 179.894 177.584 0.136 0.000 1.200 286 A CA 2.611 54.724 52.037 0.126 0.000 0.610 286 A CB -1.455 17.603 19.000 0.096 0.000 0.842 286 A HN 0.610 nan 8.150 nan 0.000 0.444 287 T N -0.024 114.593 114.554 0.105 0.000 2.649 287 T HA -0.270 4.080 4.350 0.000 0.000 0.268 287 T C 1.329 176.093 174.700 0.107 0.000 1.036 287 T CA 1.940 64.096 62.100 0.093 0.000 1.157 287 T CB -0.816 68.096 68.868 0.074 0.000 0.861 287 T HN 0.445 nan 8.240 nan 0.000 0.445 288 D N 0.687 121.171 120.400 0.141 0.000 2.117 288 D HA 0.032 4.672 4.640 0.000 0.000 0.198 288 D C 1.914 178.381 176.300 0.278 0.000 0.982 288 D CA 0.791 54.920 54.000 0.216 0.000 0.828 288 D CB -0.481 40.447 40.800 0.212 0.000 0.967 288 D HN 0.300 nan 8.370 nan 0.000 0.464 289 M N 0.184 119.914 119.600 0.216 0.000 2.374 289 M HA 0.085 4.565 4.480 0.000 0.000 0.264 289 M C 1.651 177.843 176.300 -0.181 0.000 1.067 289 M CA 1.145 56.474 55.300 0.047 0.000 1.103 289 M CB -0.208 32.475 32.600 0.138 0.000 1.402 289 M HN -0.001 nan 8.290 nan 0.000 0.444 290 G N -0.809 107.955 108.800 -0.059 0.000 2.510 290 G HA2 0.026 3.986 3.960 0.000 0.000 0.212 290 G HA3 0.026 3.986 3.960 0.000 0.000 0.212 290 G C 1.419 176.263 174.900 -0.094 0.000 1.151 290 G CA 0.073 45.103 45.100 -0.116 0.000 0.817 290 G HN 0.442 nan 8.290 nan 0.000 0.534 291 L N 0.048 121.260 121.223 -0.018 0.000 2.127 291 L HA -0.043 4.297 4.340 0.000 0.000 0.211 291 L C 2.631 179.472 176.870 -0.049 0.000 1.089 291 L CA 0.747 55.588 54.840 0.002 0.000 0.757 291 L CB -0.183 41.915 42.059 0.065 0.000 0.899 291 L HN 0.301 nan 8.230 nan 0.000 0.434 292 L N -1.128 120.025 121.223 -0.116 0.000 2.049 292 L HA -0.132 4.208 4.340 0.000 0.000 0.203 292 L C 2.525 179.244 176.870 -0.253 0.000 1.074 292 L CA 1.527 56.241 54.840 -0.210 0.000 0.749 292 L CB -0.475 41.341 42.059 -0.406 0.000 0.907 292 L HN 0.124 nan 8.230 nan 0.000 0.439 293 Q N -0.045 119.547 119.800 -0.347 0.000 2.230 293 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 293 Q C 2.028 177.882 176.000 -0.243 0.000 0.963 293 Q CA 1.029 56.606 55.803 -0.377 0.000 0.866 293 Q CB -0.167 28.163 28.738 -0.680 0.000 0.931 293 Q HN 0.634 nan 8.270 nan 0.000 0.452 294 E N 0.599 120.691 120.200 -0.180 0.000 2.208 294 E HA -0.085 4.265 4.350 0.000 0.000 0.193 294 E C 1.928 178.487 176.600 -0.068 0.000 0.988 294 E CA 0.371 56.722 56.400 -0.081 0.000 0.828 294 E CB 0.046 29.727 29.700 -0.031 0.000 0.763 294 E HN 0.297 nan 8.360 nan 0.000 0.478 295 R N 0.525 120.976 120.500 -0.083 0.000 2.092 295 R HA 0.020 4.361 4.340 0.000 0.000 0.231 295 R C 1.105 177.360 176.300 -0.076 0.000 1.119 295 R CA 0.506 56.565 56.100 -0.068 0.000 0.970 295 R CB -0.191 30.069 30.300 -0.067 0.000 0.864 295 R HN 0.111 nan 8.270 nan 0.000 0.440 296 I N 1.682 122.191 120.570 -0.103 0.000 2.460 296 I HA 0.011 4.181 4.170 0.000 0.000 0.297 296 I C 0.297 176.359 176.117 -0.092 0.000 1.139 296 I CA 0.452 61.687 61.300 -0.107 0.000 1.340 296 I CB -0.041 37.873 38.000 -0.145 0.000 1.444 296 I HN 0.023 nan 8.210 nan 0.000 0.557 297 T N 3.207 117.715 114.554 -0.076 0.000 2.693 297 T HA 0.333 4.683 4.350 0.000 0.000 0.304 297 T C -0.593 174.067 174.700 -0.066 0.000 1.471 297 T CA -0.416 61.643 62.100 -0.068 0.000 0.993 297 T CB 1.898 70.731 68.868 -0.059 0.000 1.554 297 T HN 0.418 nan 8.240 nan 0.000 0.496 298 T N 2.338 116.853 114.554 -0.066 0.000 2.799 298 T HA 0.585 4.935 4.350 0.000 0.000 0.286 298 T C 0.773 175.434 174.700 -0.065 0.000 0.973 298 T CA -0.256 61.806 62.100 -0.063 0.000 1.035 298 T CB 1.175 70.005 68.868 -0.063 0.000 0.932 298 T HN 0.858 nan 8.240 nan 0.000 0.469 299 T N 0.778 115.298 114.554 -0.057 0.000 2.624 299 T HA 0.436 4.786 4.350 0.000 0.000 0.223 299 T C 1.024 175.692 174.700 -0.053 0.000 0.992 299 T CA -0.525 61.541 62.100 -0.057 0.000 1.111 299 T CB 0.681 69.520 68.868 -0.048 0.000 2.611 299 T HN 0.400 nan 8.240 nan 0.000 0.489 300 K N -0.145 120.227 120.400 -0.046 0.000 2.350 300 K HA 0.296 4.616 4.320 0.000 0.000 0.196 300 K C 2.342 178.921 176.600 -0.035 0.000 1.084 300 K CA -0.197 56.066 56.287 -0.040 0.000 0.967 300 K CB 0.278 32.756 32.500 -0.038 0.000 0.950 300 K HN 0.215 nan 8.250 nan 0.000 0.512 301 K N 0.621 120.999 120.400 -0.036 0.000 2.099 301 K HA 0.074 4.394 4.320 0.000 0.000 0.203 301 K C 1.287 177.871 176.600 -0.028 0.000 1.047 301 K CA 1.036 57.303 56.287 -0.033 0.000 0.963 301 K CB 0.476 32.952 32.500 -0.040 0.000 0.759 301 K HN 0.207 nan 8.250 nan 0.000 0.451 302 G N -0.219 108.563 108.800 -0.029 0.000 2.793 302 G HA2 0.332 4.292 3.960 0.000 0.000 0.248 302 G HA3 0.332 4.292 3.960 0.000 0.000 0.248 302 G C -1.362 173.516 174.900 -0.036 0.000 1.198 302 G CA -0.157 44.926 45.100 -0.027 0.000 0.865 302 G HN 0.187 nan 8.290 nan 0.000 0.534 303 S N -1.658 114.019 115.700 -0.039 0.000 2.579 303 S HA 0.702 5.172 4.470 0.000 0.000 0.272 303 S C -1.504 173.066 174.600 -0.051 0.000 1.141 303 S CA -0.670 57.499 58.200 -0.052 0.000 0.843 303 S CB 1.838 64.997 63.200 -0.068 0.000 1.122 303 S HN 1.045 nan 8.310 nan 0.000 0.468 304 V N 1.909 121.787 119.914 -0.060 0.000 2.378 304 V HA 0.554 4.674 4.120 0.000 0.000 0.288 304 V C -0.360 175.667 176.094 -0.113 0.000 1.016 304 V CA -0.367 61.889 62.300 -0.072 0.000 0.840 304 V CB 1.325 33.116 31.823 -0.053 0.000 0.994 304 V HN 1.021 nan 8.190 nan 0.000 0.431 305 T N 3.622 118.091 114.554 -0.143 0.000 2.756 305 T HA 0.362 4.712 4.350 0.000 0.000 0.290 305 T C 0.075 174.618 174.700 -0.262 0.000 0.985 305 T CA -0.105 61.885 62.100 -0.183 0.000 0.955 305 T CB 1.369 70.138 68.868 -0.164 0.000 0.930 305 T HN 0.644 nan 8.240 nan 0.000 0.451 306 S N 2.499 118.031 115.700 -0.280 0.000 2.617 306 S HA 0.658 5.128 4.470 0.000 0.000 0.283 306 S C -0.462 173.895 174.600 -0.405 0.000 1.189 306 S CA -0.601 57.389 58.200 -0.351 0.000 1.036 306 S CB 0.599 63.632 63.200 -0.279 0.000 1.014 306 S HN 0.459 nan 8.310 nan 0.000 0.522 307 V N 4.862 124.489 119.914 -0.477 0.000 2.376 307 V HA 0.432 4.552 4.120 0.000 0.000 0.287 307 V C -0.719 175.251 176.094 -0.207 0.000 1.015 307 V CA -0.562 61.536 62.300 -0.337 0.000 0.834 307 V CB 1.309 32.999 31.823 -0.222 0.000 1.001 307 V HN 0.882 nan 8.190 nan 0.000 0.428 308 Q N 3.348 123.018 119.800 -0.217 0.000 2.357 308 Q HA 0.669 5.009 4.340 0.000 0.000 0.266 308 Q C -0.069 175.799 176.000 -0.220 0.000 1.021 308 Q CA -0.511 55.174 55.803 -0.197 0.000 0.784 308 Q CB 2.329 30.936 28.738 -0.218 0.000 1.243 308 Q HN 0.878 nan 8.270 nan 0.000 0.465 309 A N 2.794 125.529 122.820 -0.141 0.000 2.491 309 A HA 0.391 4.711 4.320 0.000 0.000 0.261 309 A C -0.014 177.485 177.584 -0.142 0.000 1.101 309 A CA -0.198 51.750 52.037 -0.149 0.000 0.772 309 A CB 0.198 19.183 19.000 -0.025 0.000 1.043 309 A HN 0.502 nan 8.150 nan 0.000 0.501 310 V N 2.908 122.649 119.914 -0.289 0.000 2.581 310 V HA 0.387 4.507 4.120 0.000 0.000 0.303 310 V C -0.473 175.680 176.094 0.098 0.000 1.041 310 V CA -0.626 61.603 62.300 -0.118 0.000 0.907 310 V CB 1.263 32.925 31.823 -0.268 0.000 0.994 310 V HN 0.779 nan 8.190 nan 0.000 0.442 311 Y N 3.322 123.656 120.300 0.057 0.000 2.341 311 Y HA 0.669 5.219 4.550 0.000 0.000 0.337 311 Y C -0.392 175.415 175.900 -0.156 0.000 1.014 311 Y CA -0.819 57.261 58.100 -0.033 0.000 1.111 311 Y CB 1.877 40.287 38.460 -0.083 0.000 1.194 311 Y HN 0.402 nan 8.280 nan 0.000 0.462 312 V N 9.090 128.629 119.914 -0.625 0.000 2.304 312 V HA 0.281 4.401 4.120 0.000 0.000 0.269 312 V C -2.158 173.455 176.094 -0.801 0.000 1.036 312 V CA -1.945 60.073 62.300 -0.469 0.000 0.840 312 V CB 0.417 32.143 31.823 -0.162 0.000 1.036 312 V HN 0.681 nan 8.190 nan 0.000 0.466 313 P HA 0.118 nan 4.420 nan 0.000 0.265 313 P C 0.561 177.750 177.300 -0.185 0.000 1.222 313 P CA 0.772 63.621 63.100 -0.419 0.000 0.767 313 P CB 0.890 32.528 31.700 -0.102 0.000 0.801 314 A N 4.061 126.797 122.820 -0.139 0.000 2.832 314 A HA -0.238 4.082 4.320 0.000 0.000 0.280 314 A C 0.869 178.399 177.584 -0.090 0.000 1.464 314 A CA 1.035 53.035 52.037 -0.062 0.000 0.804 314 A CB -2.597 16.404 19.000 0.001 0.000 1.020 314 A HN 0.640 nan 8.150 nan 0.000 0.563 315 D N -1.208 119.095 120.400 -0.162 0.000 2.751 315 D HA -0.194 4.446 4.640 0.000 0.000 0.233 315 D C -0.299 175.939 176.300 -0.103 0.000 1.149 315 D CA 1.927 55.844 54.000 -0.137 0.000 0.682 315 D CB -0.596 40.146 40.800 -0.095 0.000 1.068 315 D HN 0.864 nan 8.370 nan 0.000 0.429 316 D N 0.118 120.459 120.400 -0.098 0.000 2.440 316 D HA 0.296 4.936 4.640 0.000 0.000 0.239 316 D C 1.326 177.589 176.300 -0.061 0.000 1.084 316 D CA -0.562 53.400 54.000 -0.064 0.000 0.843 316 D CB 0.877 41.659 40.800 -0.029 0.000 1.097 316 D HN 0.023 nan 8.370 nan 0.000 0.531 317 L N 2.230 123.400 121.223 -0.088 0.000 2.313 317 L HA 0.005 4.345 4.340 0.000 0.000 0.214 317 L C 2.269 179.075 176.870 -0.105 0.000 1.119 317 L CA 1.126 55.896 54.840 -0.118 0.000 0.809 317 L CB -0.300 41.613 42.059 -0.244 0.000 0.933 317 L HN 0.477 nan 8.230 nan 0.000 0.449 318 T N -4.544 109.963 114.554 -0.079 0.000 3.100 318 T HA -0.053 4.297 4.350 0.000 0.000 0.253 318 T C 0.825 175.509 174.700 -0.026 0.000 1.118 318 T CA -0.346 61.718 62.100 -0.059 0.000 1.058 318 T CB -0.304 68.533 68.868 -0.052 0.000 0.953 318 T HN 0.147 nan 8.240 nan 0.000 0.515 319 D N 2.878 123.275 120.400 -0.004 0.000 2.533 319 D HA 0.028 4.668 4.640 0.000 0.000 0.236 319 D C -1.319 174.960 176.300 -0.035 0.000 1.137 319 D CA -1.414 52.600 54.000 0.024 0.000 0.867 319 D CB 1.468 42.314 40.800 0.076 0.000 1.170 319 D HN 0.020 nan 8.370 nan 0.000 0.474 320 P HA -0.250 nan 4.420 nan 0.000 0.219 320 P C 0.892 178.027 177.300 -0.275 0.000 1.158 320 P CA 2.296 65.228 63.100 -0.279 0.000 0.895 320 P CB 0.057 31.419 31.700 -0.563 0.000 0.792 321 A N 0.178 122.801 122.820 -0.329 0.000 1.829 321 A HA -0.152 4.168 4.320 0.000 0.000 0.216 321 A C -0.015 177.667 177.584 0.163 0.000 1.207 321 A CA 2.801 54.836 52.037 -0.003 0.000 0.622 321 A CB -2.314 16.920 19.000 0.390 0.000 0.846 321 A HN 0.225 nan 8.150 nan 0.000 0.447 322 P HA -0.084 nan 4.420 nan 0.000 0.220 322 P C 1.497 179.035 177.300 0.397 0.000 1.148 322 P CA 1.783 65.078 63.100 0.325 0.000 0.803 322 P CB -0.171 31.736 31.700 0.344 0.000 0.782 323 A N 0.501 123.444 122.820 0.205 0.000 1.865 323 A HA -0.163 4.157 4.320 0.000 0.000 0.217 323 A C 2.330 180.008 177.584 0.156 0.000 1.191 323 A CA 2.635 54.756 52.037 0.140 0.000 0.623 323 A CB -1.951 17.064 19.000 0.024 0.000 0.826 323 A HN 0.211 nan 8.150 nan 0.000 0.444 324 T N -0.213 114.411 114.554 0.116 0.000 2.833 324 T HA -0.099 4.251 4.350 0.000 0.000 0.269 324 T C 1.931 176.751 174.700 0.201 0.000 1.054 324 T CA 1.827 64.001 62.100 0.123 0.000 1.135 324 T CB -0.523 68.408 68.868 0.105 0.000 0.869 324 T HN 0.577 nan 8.240 nan 0.000 0.466 325 T N 1.513 116.187 114.554 0.200 0.000 2.777 325 T HA 0.038 4.388 4.350 0.000 0.000 0.266 325 T C 1.563 176.327 174.700 0.108 0.000 1.040 325 T CA 0.811 63.000 62.100 0.149 0.000 1.141 325 T CB -0.550 68.365 68.868 0.078 0.000 0.868 325 T HN 0.303 nan 8.240 nan 0.000 0.444 326 F N 1.694 121.692 119.950 0.080 0.000 2.269 326 F HA 0.007 4.534 4.527 -0.000 0.000 0.301 326 F C 2.538 178.339 175.800 0.001 0.000 1.082 326 F CA 0.621 58.655 58.000 0.058 0.000 1.360 326 F CB -0.354 38.678 39.000 0.053 0.000 1.041 326 F HN 0.134 nan 8.300 nan 0.000 0.512 327 A N -1.401 121.491 122.820 0.120 0.000 2.125 327 A HA -0.175 4.145 4.320 0.000 0.000 0.219 327 A C 1.696 179.112 177.584 -0.280 0.000 1.156 327 A CA 1.633 53.607 52.037 -0.104 0.000 0.671 327 A CB -0.650 18.224 19.000 -0.209 0.000 0.794 327 A HN 0.472 nan 8.150 nan 0.000 0.459 328 H N -1.666 117.416 119.070 0.020 0.000 2.927 328 H HA 0.294 4.850 4.556 0.000 0.000 0.255 328 H C 0.339 175.634 175.328 -0.055 0.000 0.974 328 H CA -0.245 55.787 56.048 -0.026 0.000 1.199 328 H CB -0.008 29.721 29.762 -0.055 0.000 1.447 328 H HN 0.305 nan 8.280 nan 0.000 0.467 329 L N 1.814 123.055 121.223 0.030 0.000 2.499 329 L HA -0.062 4.278 4.340 0.000 0.000 0.281 329 L C 1.124 177.982 176.870 -0.021 0.000 1.234 329 L CA 0.598 55.403 54.840 -0.059 0.000 0.839 329 L CB 0.609 42.565 42.059 -0.173 0.000 1.104 329 L HN 0.165 nan 8.230 nan 0.000 0.500 330 D N 0.391 120.762 120.400 -0.049 0.000 2.469 330 D HA 0.252 4.892 4.640 0.000 0.000 0.240 330 D C 0.124 176.424 176.300 -0.000 0.000 1.087 330 D CA 0.438 54.427 54.000 -0.019 0.000 0.876 330 D CB 1.141 41.919 40.800 -0.037 0.000 1.160 330 D HN 0.576 nan 8.370 nan 0.000 0.497 331 A N 0.458 123.256 122.820 -0.036 0.000 2.527 331 A HA 0.655 4.975 4.320 0.000 0.000 0.293 331 A C -0.622 176.973 177.584 0.018 0.000 1.117 331 A CA -0.464 51.582 52.037 0.015 0.000 0.723 331 A CB 1.749 20.759 19.000 0.017 0.000 1.313 331 A HN -0.017 nan 8.150 nan 0.000 0.411 332 T N -1.341 113.284 114.554 0.118 0.000 2.886 332 T HA 0.718 5.068 4.350 0.000 0.000 0.292 332 T C -0.766 174.067 174.700 0.222 0.000 1.012 332 T CA -0.492 61.723 62.100 0.191 0.000 0.982 332 T CB 1.515 70.566 68.868 0.305 0.000 1.018 332 T HN 0.573 nan 8.240 nan 0.000 0.451 333 T N 2.642 117.327 114.554 0.217 0.000 2.833 333 T HA 0.503 4.853 4.350 0.000 0.000 0.297 333 T C -0.390 174.422 174.700 0.185 0.000 1.015 333 T CA -0.573 61.636 62.100 0.182 0.000 0.963 333 T CB 1.138 70.107 68.868 0.167 0.000 0.955 333 T HN 0.651 nan 8.240 nan 0.000 0.449 334 V N 5.628 125.639 119.914 0.161 0.000 2.333 334 V HA 0.374 4.494 4.120 0.000 0.000 0.274 334 V C 0.056 176.181 176.094 0.051 0.000 1.028 334 V CA -0.725 61.669 62.300 0.156 0.000 0.851 334 V CB 0.751 32.634 31.823 0.101 0.000 1.000 334 V HN 0.746 nan 8.190 nan 0.000 0.456 335 L N 4.072 125.310 121.223 0.025 0.000 2.312 335 L HA 0.586 4.926 4.340 0.000 0.000 0.281 335 L C 0.345 177.245 176.870 0.050 0.000 1.070 335 L CA 0.230 55.068 54.840 -0.004 0.000 0.805 335 L CB 1.610 43.635 42.059 -0.058 0.000 1.174 335 L HN 0.637 nan 8.230 nan 0.000 0.434 336 S N 1.540 117.273 115.700 0.056 0.000 2.571 336 S HA 0.338 4.808 4.470 0.000 0.000 0.284 336 S C 0.451 175.086 174.600 0.059 0.000 1.128 336 S CA -0.750 57.482 58.200 0.054 0.000 0.970 336 S CB 1.776 65.000 63.200 0.040 0.000 1.039 336 S HN 0.701 nan 8.310 nan 0.000 0.485 337 R N 2.985 123.518 120.500 0.055 0.000 2.235 337 R HA 0.074 4.414 4.340 0.000 0.000 0.213 337 R C 1.896 178.214 176.300 0.029 0.000 1.059 337 R CA 1.691 57.821 56.100 0.051 0.000 0.997 337 R CB -0.647 29.683 30.300 0.051 0.000 0.884 337 R HN 0.759 nan 8.270 nan 0.000 0.462 338 G N 0.654 109.467 108.800 0.022 0.000 2.408 338 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 338 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 338 G C 1.196 176.100 174.900 0.006 0.000 1.150 338 G CA 0.397 45.503 45.100 0.010 0.000 0.776 338 G HN 0.168 nan 8.290 nan 0.000 0.542 339 I N 2.058 122.637 120.570 0.014 0.000 2.339 339 I HA -0.076 4.094 4.170 0.000 0.000 0.245 339 I C 3.116 179.210 176.117 -0.038 0.000 1.096 339 I CA 1.545 62.850 61.300 0.008 0.000 1.408 339 I CB -1.139 36.881 38.000 0.034 0.000 1.092 339 I HN 0.305 nan 8.210 nan 0.000 0.423 340 S N 0.576 116.250 115.700 -0.042 0.000 2.382 340 S HA -0.198 4.272 4.470 0.000 0.000 0.228 340 S C 1.767 176.273 174.600 -0.158 0.000 1.027 340 S CA 1.086 59.186 58.200 -0.166 0.000 0.991 340 S CB -0.693 62.504 63.200 -0.005 0.000 0.823 340 S HN 0.445 nan 8.310 nan 0.000 0.469 341 E N 0.713 120.876 120.200 -0.061 0.000 2.401 341 E HA 0.080 4.430 4.350 0.000 0.000 0.199 341 E C 1.472 178.037 176.600 -0.059 0.000 1.023 341 E CA 0.462 56.835 56.400 -0.045 0.000 0.859 341 E CB -0.292 29.400 29.700 -0.013 0.000 0.780 341 E HN 0.538 nan 8.360 nan 0.000 0.523 342 L N -1.431 119.750 121.223 -0.071 0.000 2.509 342 L HA 0.135 4.475 4.340 0.000 0.000 0.222 342 L C 1.522 178.319 176.870 -0.123 0.000 1.123 342 L CA 0.558 55.356 54.840 -0.070 0.000 0.856 342 L CB 0.443 42.481 42.059 -0.033 0.000 0.985 342 L HN 0.313 nan 8.230 nan 0.000 0.456 343 G N -0.406 108.292 108.800 -0.170 0.000 2.201 343 G HA2 -0.199 3.761 3.960 0.000 0.000 0.212 343 G HA3 -0.199 3.761 3.960 0.000 0.000 0.212 343 G C 0.251 175.056 174.900 -0.159 0.000 0.994 343 G CA -0.529 44.450 45.100 -0.203 0.000 0.644 343 G HN 0.060 nan 8.290 nan 0.000 0.508 344 I N 1.828 122.310 120.570 -0.148 0.000 2.379 344 I HA 0.419 4.589 4.170 0.000 0.000 0.290 344 I C -0.205 175.821 176.117 -0.151 0.000 1.063 344 I CA -0.801 60.486 61.300 -0.021 0.000 1.351 344 I CB -0.414 37.608 38.000 0.037 0.000 1.410 344 I HN 0.021 nan 8.210 nan 0.000 0.505 345 Y N 7.718 128.065 120.300 0.078 0.000 2.393 345 Y HA 0.468 5.018 4.550 0.000 0.000 0.341 345 Y C -1.953 173.853 175.900 -0.156 0.000 0.988 345 Y CA -3.029 55.054 58.100 -0.029 0.000 1.078 345 Y CB 1.422 39.840 38.460 -0.070 0.000 1.203 345 Y HN 0.416 nan 8.280 nan 0.000 0.453 346 P HA 0.138 nan 4.420 nan 0.000 0.274 346 P C -0.331 177.139 177.300 0.283 0.000 1.246 346 P CA -0.295 62.980 63.100 0.291 0.000 0.795 346 P CB 0.990 33.011 31.700 0.536 0.000 1.006 347 A N 1.276 124.271 122.820 0.293 0.000 2.503 347 A HA 0.212 4.532 4.320 0.000 0.000 0.263 347 A C 0.499 178.136 177.584 0.089 0.000 1.360 347 A CA -0.277 51.862 52.037 0.169 0.000 0.969 347 A CB -1.249 17.864 19.000 0.189 0.000 1.000 347 A HN 0.343 nan 8.150 nan 0.000 0.530 348 V N 1.142 121.110 119.914 0.090 0.000 2.529 348 V HA 0.008 4.128 4.120 0.000 0.000 0.292 348 V C 0.447 176.581 176.094 0.067 0.000 1.028 348 V CA -0.445 61.887 62.300 0.052 0.000 1.074 348 V CB 0.462 32.350 31.823 0.108 0.000 0.958 348 V HN 0.494 nan 8.190 nan 0.000 0.481 349 D N 7.858 128.290 120.400 0.053 0.000 2.339 349 D HA 0.155 4.795 4.640 0.000 0.000 0.256 349 D C -1.190 175.142 176.300 0.053 0.000 1.214 349 D CA -1.731 52.299 54.000 0.050 0.000 0.877 349 D CB 2.100 42.922 40.800 0.037 0.000 1.111 349 D HN 0.287 nan 8.370 nan 0.000 0.478 350 P HA -0.128 nan 4.420 nan 0.000 0.215 350 P C 1.617 178.936 177.300 0.031 0.000 1.157 350 P CA 0.958 64.083 63.100 0.042 0.000 0.868 350 P CB 0.386 32.115 31.700 0.048 0.000 0.788 351 L N -1.189 120.052 121.223 0.030 0.000 2.341 351 L HA 0.050 4.390 4.340 0.000 0.000 0.214 351 L C 2.052 178.934 176.870 0.019 0.000 1.115 351 L CA 1.100 55.953 54.840 0.020 0.000 0.820 351 L CB -0.817 41.253 42.059 0.019 0.000 0.944 351 L HN -0.101 nan 8.230 nan 0.000 0.452 352 D N -0.684 119.730 120.400 0.023 0.000 2.305 352 D HA -0.003 4.637 4.640 0.000 0.000 0.206 352 D C 0.468 176.792 176.300 0.040 0.000 0.974 352 D CA 0.225 54.234 54.000 0.015 0.000 0.871 352 D CB 0.459 41.261 40.800 0.003 0.000 0.947 352 D HN 0.055 nan 8.370 nan 0.000 0.516 353 S N 0.687 116.425 115.700 0.063 0.000 2.439 353 S HA 0.326 4.796 4.470 0.000 0.000 0.282 353 S C -0.236 174.422 174.600 0.096 0.000 1.170 353 S CA -0.339 57.921 58.200 0.100 0.000 1.054 353 S CB 1.119 64.387 63.200 0.113 0.000 0.956 353 S HN 0.050 nan 8.310 nan 0.000 0.490 354 K N 1.860 122.329 120.400 0.115 0.000 2.463 354 K HA 0.438 4.758 4.320 0.000 0.000 0.255 354 K C -0.640 176.033 176.600 0.122 0.000 0.942 354 K CA -0.331 56.018 56.287 0.104 0.000 0.814 354 K CB 1.881 34.433 32.500 0.087 0.000 1.122 354 K HN 0.502 nan 8.250 nan 0.000 0.425 355 S N 1.884 117.653 115.700 0.115 0.000 2.509 355 S HA 0.296 4.766 4.470 0.000 0.000 0.297 355 S C 0.791 175.449 174.600 0.096 0.000 1.118 355 S CA -0.673 57.596 58.200 0.114 0.000 1.074 355 S CB 0.977 64.256 63.200 0.132 0.000 1.038 355 S HN 0.631 nan 8.310 nan 0.000 0.498 356 R N 2.757 123.304 120.500 0.080 0.000 2.189 356 R HA 0.125 4.465 4.340 0.000 0.000 0.218 356 R C 1.192 177.529 176.300 0.061 0.000 1.074 356 R CA 0.855 56.995 56.100 0.067 0.000 0.991 356 R CB -0.235 30.095 30.300 0.050 0.000 0.883 356 R HN 0.640 nan 8.270 nan 0.000 0.457 357 L N 0.889 122.146 121.223 0.057 0.000 2.591 357 L HA 0.076 4.416 4.340 0.000 0.000 0.228 357 L C 0.601 177.501 176.870 0.049 0.000 1.133 357 L CA -0.218 54.644 54.840 0.036 0.000 0.880 357 L CB -0.160 41.910 42.059 0.017 0.000 1.033 357 L HN 0.087 nan 8.230 nan 0.000 0.450 358 L N 1.976 123.260 121.223 0.102 0.000 2.505 358 L HA 0.218 4.558 4.340 0.000 0.000 0.279 358 L C -0.514 176.547 176.870 0.318 0.000 1.211 358 L CA 0.864 55.816 54.840 0.187 0.000 1.059 358 L CB -0.620 41.547 42.059 0.179 0.000 1.340 358 L HN 0.059 nan 8.230 nan 0.000 0.447 359 D N 2.822 123.328 120.400 0.177 0.000 2.871 359 D HA 0.203 4.843 4.640 0.000 0.000 0.209 359 D C 0.600 176.824 176.300 -0.127 0.000 1.292 359 D CA 0.218 54.176 54.000 -0.070 0.000 0.869 359 D CB 2.133 42.902 40.800 -0.052 0.000 1.663 359 D HN 0.429 nan 8.370 nan 0.000 0.557 360 A N 3.116 125.748 122.820 -0.313 0.000 1.958 360 A HA -0.139 4.181 4.320 0.000 0.000 0.221 360 A C 1.868 179.405 177.584 -0.078 0.000 1.178 360 A CA 2.309 54.254 52.037 -0.153 0.000 0.642 360 A CB -0.366 18.512 19.000 -0.203 0.000 0.816 360 A HN 0.628 nan 8.150 nan 0.000 0.453 361 A N -1.326 121.439 122.820 -0.091 0.000 2.252 361 A HA 0.379 4.699 4.320 0.000 0.000 0.207 361 A C 1.579 179.138 177.584 -0.043 0.000 1.194 361 A CA 1.180 53.183 52.037 -0.057 0.000 0.809 361 A CB -0.219 18.747 19.000 -0.057 0.000 0.814 361 A HN 0.406 nan 8.150 nan 0.000 0.482 362 V N -1.342 118.545 119.914 -0.045 0.000 2.996 362 V HA -0.023 4.097 4.120 0.000 0.000 0.235 362 V C 1.881 177.942 176.094 -0.054 0.000 1.205 362 V CA 1.187 63.462 62.300 -0.043 0.000 1.225 362 V CB 0.322 32.121 31.823 -0.040 0.000 0.995 362 V HN 0.415 nan 8.190 nan 0.000 0.484 363 V N -1.102 118.772 119.914 -0.068 0.000 3.621 363 V HA 0.758 4.878 4.120 0.000 0.000 0.285 363 V C 0.835 176.924 176.094 -0.009 0.000 1.346 363 V CA 0.046 62.271 62.300 -0.125 0.000 1.104 363 V CB -0.746 30.857 31.823 -0.367 0.000 0.913 363 V HN 0.867 nan 8.190 nan 0.000 0.432 364 G N 0.775 109.585 108.800 0.017 0.000 2.758 364 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 364 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 364 G C -0.018 174.935 174.900 0.089 0.000 1.389 364 G CA 0.392 45.522 45.100 0.050 0.000 0.845 364 G HN 0.520 nan 8.290 nan 0.000 0.572 365 Q N -0.118 119.727 119.800 0.075 0.000 2.020 365 Q HA -0.053 4.287 4.340 0.000 0.000 0.202 365 Q C 2.477 178.569 176.000 0.153 0.000 0.982 365 Q CA 2.783 58.642 55.803 0.094 0.000 0.838 365 Q CB -0.367 28.408 28.738 0.061 0.000 0.899 365 Q HN 0.774 nan 8.270 nan 0.000 0.423 366 E N -0.838 119.440 120.200 0.131 0.000 2.086 366 E HA -0.291 4.059 4.350 0.000 0.000 0.200 366 E C 1.990 178.681 176.600 0.152 0.000 1.012 366 E CA 1.351 57.826 56.400 0.125 0.000 0.812 366 E CB -0.322 29.438 29.700 0.099 0.000 0.743 366 E HN 0.516 nan 8.360 nan 0.000 0.453 367 H N -0.308 118.816 119.070 0.089 0.000 2.265 367 H HA -0.212 4.344 4.556 0.000 0.000 0.295 367 H C 2.071 177.451 175.328 0.087 0.000 1.084 367 H CA 2.140 58.233 56.048 0.075 0.000 1.261 367 H CB -0.539 29.266 29.762 0.072 0.000 1.360 367 H HN 0.255 nan 8.280 nan 0.000 0.487 368 Y N 1.814 122.249 120.300 0.225 0.000 2.097 368 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 368 Y C 2.495 178.438 175.900 0.072 0.000 1.152 368 Y CA 2.168 60.351 58.100 0.139 0.000 1.136 368 Y CB -0.441 38.072 38.460 0.088 0.000 0.975 368 Y HN 0.231 nan 8.280 nan 0.000 0.498 369 D N -0.555 119.971 120.400 0.210 0.000 2.106 369 D HA -0.215 4.425 4.640 0.000 0.000 0.191 369 D C 2.372 178.671 176.300 -0.001 0.000 0.997 369 D CA 2.008 56.068 54.000 0.100 0.000 0.834 369 D CB -0.529 40.343 40.800 0.120 0.000 0.956 369 D HN 0.316 nan 8.370 nan 0.000 0.448 370 V N 1.269 121.180 119.914 -0.005 0.000 2.307 370 V HA -0.214 3.906 4.120 0.000 0.000 0.245 370 V C 2.503 178.534 176.094 -0.104 0.000 1.045 370 V CA 1.826 64.106 62.300 -0.033 0.000 1.024 370 V CB -0.758 31.047 31.823 -0.030 0.000 0.651 370 V HN 0.189 nan 8.190 nan 0.000 0.449 371 A N -0.470 122.246 122.820 -0.174 0.000 1.855 371 A HA -0.193 4.127 4.320 0.000 0.000 0.215 371 A C 2.491 179.950 177.584 -0.208 0.000 1.191 371 A CA 2.194 54.102 52.037 -0.216 0.000 0.613 371 A CB -0.818 18.082 19.000 -0.167 0.000 0.829 371 A HN 0.480 nan 8.150 nan 0.000 0.442 372 S N -0.620 114.898 115.700 -0.305 0.000 2.383 372 S HA -0.155 4.315 4.470 0.000 0.000 0.229 372 S C 1.967 176.474 174.600 -0.155 0.000 1.030 372 S CA 1.630 59.636 58.200 -0.322 0.000 1.002 372 S CB -0.219 62.630 63.200 -0.586 0.000 0.829 372 S HN 0.616 nan 8.310 nan 0.000 0.467 373 K N 0.806 121.144 120.400 -0.104 0.000 2.283 373 K HA 0.001 4.321 4.320 0.000 0.000 0.202 373 K C 1.771 178.359 176.600 -0.021 0.000 1.048 373 K CA 0.593 56.856 56.287 -0.039 0.000 0.948 373 K CB -0.016 32.479 32.500 -0.008 0.000 0.742 373 K HN 0.165 nan 8.250 nan 0.000 0.458 374 V N 1.414 121.305 119.914 -0.038 0.000 2.283 374 V HA -0.241 3.879 4.120 0.000 0.000 0.243 374 V C 2.091 178.176 176.094 -0.014 0.000 1.039 374 V CA 1.591 63.884 62.300 -0.012 0.000 1.016 374 V CB -0.413 31.378 31.823 -0.054 0.000 0.650 374 V HN 0.397 nan 8.190 nan 0.000 0.449 375 Q N -0.072 119.701 119.800 -0.045 0.000 2.173 375 Q HA -0.331 4.009 4.340 0.000 0.000 0.208 375 Q C 2.209 178.205 176.000 -0.007 0.000 0.989 375 Q CA 2.287 58.074 55.803 -0.027 0.000 0.872 375 Q CB -0.276 28.432 28.738 -0.051 0.000 0.909 375 Q HN 0.789 nan 8.270 nan 0.000 0.420 376 E N 0.259 120.451 120.200 -0.014 0.000 2.047 376 E HA -0.161 4.189 4.350 0.000 0.000 0.191 376 E C 1.741 178.355 176.600 0.023 0.000 0.987 376 E CA 1.698 58.100 56.400 0.003 0.000 0.799 376 E CB 0.089 29.787 29.700 -0.003 0.000 0.752 376 E HN 0.255 nan 8.360 nan 0.000 0.449 377 T N 1.178 115.746 114.554 0.023 0.000 2.746 377 T HA -0.107 4.243 4.350 0.000 0.000 0.267 377 T C 1.863 176.600 174.700 0.061 0.000 1.039 377 T CA 1.192 63.312 62.100 0.032 0.000 1.142 377 T CB -0.171 68.709 68.868 0.019 0.000 0.866 377 T HN 0.135 nan 8.240 nan 0.000 0.444 378 L N 0.532 121.796 121.223 0.068 0.000 2.156 378 L HA -0.058 4.282 4.340 0.000 0.000 0.208 378 L C 2.843 179.797 176.870 0.139 0.000 1.095 378 L CA 0.926 55.839 54.840 0.121 0.000 0.770 378 L CB -0.376 41.739 42.059 0.093 0.000 0.914 378 L HN 0.172 nan 8.230 nan 0.000 0.439 379 Q N 0.101 119.949 119.800 0.079 0.000 2.046 379 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 379 Q C 2.292 178.328 176.000 0.059 0.000 0.975 379 Q CA 2.496 58.331 55.803 0.053 0.000 0.836 379 Q CB -0.421 28.334 28.738 0.028 0.000 0.896 379 Q HN 0.541 nan 8.270 nan 0.000 0.428 380 T N -1.775 112.821 114.554 0.070 0.000 2.881 380 T HA -0.183 4.167 4.350 0.000 0.000 0.270 380 T C 1.693 176.459 174.700 0.111 0.000 1.068 380 T CA 1.263 63.404 62.100 0.068 0.000 1.131 380 T CB -0.638 68.264 68.868 0.058 0.000 0.871 380 T HN 0.370 nan 8.240 nan 0.000 0.479 381 Y N 2.458 122.755 120.300 -0.004 0.000 2.109 381 Y HA 0.072 4.622 4.550 -0.000 0.000 0.285 381 Y C 2.527 178.423 175.900 -0.006 0.000 1.131 381 Y CA 1.374 59.471 58.100 -0.005 0.000 1.121 381 Y CB -0.542 37.915 38.460 -0.005 0.000 0.987 381 Y HN 0.049 nan 8.280 nan 0.000 0.495 382 K N 0.213 120.564 120.400 -0.083 0.000 2.059 382 K HA -0.238 4.082 4.320 0.000 0.000 0.212 382 K C 2.201 178.714 176.600 -0.145 0.000 1.050 382 K CA 2.290 58.473 56.287 -0.173 0.000 0.927 382 K CB -0.445 32.022 32.500 -0.055 0.000 0.714 382 K HN 0.576 nan 8.250 nan 0.000 0.447 383 S N 0.899 116.556 115.700 -0.072 0.000 2.355 383 S HA -0.130 4.340 4.470 0.000 0.000 0.222 383 S C 2.213 176.772 174.600 -0.067 0.000 1.031 383 S CA 0.970 59.137 58.200 -0.055 0.000 0.993 383 S CB -0.651 62.535 63.200 -0.023 0.000 0.859 383 S HN 0.327 nan 8.310 nan 0.000 0.453 384 L N 1.474 122.662 121.223 -0.058 0.000 2.191 384 L HA -0.132 4.208 4.340 0.000 0.000 0.212 384 L C 3.035 179.849 176.870 -0.094 0.000 1.103 384 L CA 1.087 55.901 54.840 -0.043 0.000 0.769 384 L CB -0.641 41.432 42.059 0.023 0.000 0.908 384 L HN 0.398 nan 8.230 nan 0.000 0.438 385 Q N 0.042 119.716 119.800 -0.209 0.000 2.182 385 Q HA -0.322 4.018 4.340 0.000 0.000 0.213 385 Q C 1.652 177.579 176.000 -0.122 0.000 1.000 385 Q CA 2.452 58.111 55.803 -0.240 0.000 0.889 385 Q CB -0.511 28.047 28.738 -0.301 0.000 0.932 385 Q HN 0.630 nan 8.270 nan 0.000 0.415 386 D N 0.436 120.781 120.400 -0.092 0.000 2.084 386 D HA -0.117 4.523 4.640 0.000 0.000 0.196 386 D C 1.975 178.250 176.300 -0.040 0.000 0.985 386 D CA 1.381 55.346 54.000 -0.059 0.000 0.826 386 D CB -0.216 40.554 40.800 -0.049 0.000 0.978 386 D HN 0.491 nan 8.370 nan 0.000 0.456 387 I N -1.591 118.959 120.570 -0.033 0.000 2.830 387 I HA -0.099 4.071 4.170 0.000 0.000 0.263 387 I C 1.421 177.530 176.117 -0.014 0.000 1.230 387 I CA 0.506 61.795 61.300 -0.019 0.000 1.480 387 I CB -0.146 37.847 38.000 -0.011 0.000 1.095 387 I HN -0.084 nan 8.210 nan 0.000 0.455 388 I N 2.818 123.377 120.570 -0.018 0.000 2.133 388 I HA -0.176 3.994 4.170 0.000 0.000 0.238 388 I C 2.723 178.833 176.117 -0.011 0.000 1.074 388 I CA 1.743 63.039 61.300 -0.007 0.000 1.342 388 I CB -1.570 36.427 38.000 -0.004 0.000 1.053 388 I HN 0.349 nan 8.210 nan 0.000 0.404 389 A N -0.429 122.377 122.820 -0.023 0.000 2.261 389 A HA 0.142 4.462 4.320 0.000 0.000 0.208 389 A C 2.015 179.589 177.584 -0.017 0.000 1.223 389 A CA 0.660 52.684 52.037 -0.020 0.000 0.833 389 A CB -0.498 18.484 19.000 -0.030 0.000 0.830 389 A HN 0.477 nan 8.150 nan 0.000 0.483 390 I N -2.882 117.680 120.570 -0.014 0.000 3.878 390 I HA 0.149 4.319 4.170 0.000 0.000 0.273 390 I C 1.238 177.351 176.117 -0.007 0.000 1.165 390 I CA 0.307 61.600 61.300 -0.011 0.000 1.360 390 I CB 0.274 38.266 38.000 -0.013 0.000 1.539 390 I HN 0.111 nan 8.210 nan 0.000 0.447 391 L N 1.272 122.491 121.223 -0.006 0.000 2.818 391 L HA 0.417 4.757 4.340 0.000 0.000 0.243 391 L C 0.691 177.561 176.870 -0.000 0.000 1.185 391 L CA -0.148 54.691 54.840 -0.003 0.000 0.988 391 L CB 0.043 42.100 42.059 -0.003 0.000 1.292 391 L HN 0.425 nan 8.230 nan 0.000 0.519 392 G N -0.007 108.793 108.800 0.000 0.000 2.877 392 G HA2 -0.318 3.642 3.960 0.000 0.000 0.279 392 G HA3 -0.318 3.642 3.960 0.000 0.000 0.279 392 G C 0.245 175.150 174.900 0.008 0.000 1.431 392 G CA -0.217 44.885 45.100 0.004 0.000 0.883 392 G HN 0.113 nan 8.290 nan 0.000 0.547 393 M N 0.152 119.759 119.600 0.012 0.000 2.568 393 M HA 0.094 4.574 4.480 0.000 0.000 0.226 393 M C 1.098 177.406 176.300 0.013 0.000 1.148 393 M CA 0.510 55.821 55.300 0.017 0.000 1.007 393 M CB -0.028 32.586 32.600 0.023 0.000 1.651 393 M HN 0.485 nan 8.290 nan 0.000 0.488 394 D N 0.393 120.799 120.400 0.009 0.000 2.354 394 D HA -0.029 4.611 4.640 0.000 0.000 0.209 394 D C 1.366 177.669 176.300 0.006 0.000 1.015 394 D CA 0.740 54.744 54.000 0.007 0.000 0.867 394 D CB 0.343 41.146 40.800 0.004 0.000 0.933 394 D HN 0.186 nan 8.370 nan 0.000 0.520 395 E N 0.091 120.295 120.200 0.006 0.000 2.463 395 E HA 0.108 4.458 4.350 0.000 0.000 0.193 395 E C 0.374 176.978 176.600 0.007 0.000 1.041 395 E CA -0.110 56.294 56.400 0.005 0.000 0.879 395 E CB 0.695 30.397 29.700 0.003 0.000 0.997 395 E HN 0.326 nan 8.360 nan 0.000 0.478 396 L N 1.483 122.712 121.223 0.010 0.000 2.418 396 L HA 0.120 4.460 4.340 0.000 0.000 0.265 396 L C 1.201 178.078 176.870 0.011 0.000 1.143 396 L CA -0.216 54.632 54.840 0.014 0.000 0.809 396 L CB 1.046 43.117 42.059 0.020 0.000 1.124 396 L HN 0.043 nan 8.230 nan 0.000 0.456 397 S N 0.960 116.667 115.700 0.011 0.000 2.632 397 S HA 0.192 4.662 4.470 0.000 0.000 0.267 397 S C 0.811 175.416 174.600 0.008 0.000 1.193 397 S CA -0.740 57.465 58.200 0.009 0.000 1.003 397 S CB 1.105 64.309 63.200 0.008 0.000 1.073 397 S HN 0.568 nan 8.310 nan 0.000 0.553 398 E N 0.648 120.852 120.200 0.006 0.000 2.001 398 E HA -0.190 4.160 4.350 0.000 0.000 0.193 398 E C 2.069 178.671 176.600 0.004 0.000 0.994 398 E CA 1.258 57.661 56.400 0.004 0.000 0.815 398 E CB -0.918 28.784 29.700 0.002 0.000 0.770 398 E HN 0.825 nan 8.360 nan 0.000 0.453 399 Q N 0.478 120.281 119.800 0.005 0.000 2.297 399 Q HA -0.164 4.176 4.340 0.000 0.000 0.208 399 Q C 1.546 177.551 176.000 0.009 0.000 0.981 399 Q CA 1.122 56.928 55.803 0.005 0.000 0.876 399 Q CB 0.144 28.886 28.738 0.006 0.000 0.921 399 Q HN 0.216 nan 8.270 nan 0.000 0.446 400 D N 0.243 120.651 120.400 0.013 0.000 2.123 400 D HA -0.146 4.494 4.640 0.000 0.000 0.200 400 D C 1.653 177.967 176.300 0.025 0.000 0.976 400 D CA 1.297 55.311 54.000 0.023 0.000 0.831 400 D CB 0.024 40.838 40.800 0.024 0.000 0.974 400 D HN 0.426 nan 8.370 nan 0.000 0.469 401 K N 0.630 121.040 120.400 0.016 0.000 2.365 401 K HA -0.072 4.248 4.320 0.000 0.000 0.199 401 K C 2.045 178.644 176.600 -0.003 0.000 1.045 401 K CA 0.453 56.747 56.287 0.012 0.000 0.962 401 K CB -0.006 32.500 32.500 0.009 0.000 0.759 401 K HN 0.023 nan 8.250 nan 0.000 0.469 402 L N 2.327 123.546 121.223 -0.006 0.000 2.071 402 L HA -0.058 4.282 4.340 0.000 0.000 0.201 402 L C 2.228 179.078 176.870 -0.032 0.000 1.076 402 L CA 2.241 57.070 54.840 -0.018 0.000 0.755 402 L CB -0.740 41.312 42.059 -0.012 0.000 0.915 402 L HN 0.395 nan 8.230 nan 0.000 0.445 403 T N -3.520 111.022 114.554 -0.021 0.000 3.007 403 T HA -0.102 4.248 4.350 0.000 0.000 0.270 403 T C 1.871 176.534 174.700 -0.062 0.000 1.107 403 T CA 1.141 63.223 62.100 -0.030 0.000 1.118 403 T CB -0.854 68.012 68.868 -0.003 0.000 0.889 403 T HN 0.147 nan 8.240 nan 0.000 0.506 404 V N 1.292 121.177 119.914 -0.048 0.000 2.379 404 V HA -0.095 4.025 4.120 0.000 0.000 0.245 404 V C 2.775 178.735 176.094 -0.224 0.000 1.044 404 V CA 1.732 63.973 62.300 -0.099 0.000 1.036 404 V CB -0.485 31.368 31.823 0.050 0.000 0.664 404 V HN 0.508 nan 8.190 nan 0.000 0.453 405 E N -0.339 119.781 120.200 -0.134 0.000 2.051 405 E HA -0.216 4.134 4.350 0.000 0.000 0.192 405 E C 2.532 179.014 176.600 -0.196 0.000 0.991 405 E CA 1.251 57.568 56.400 -0.138 0.000 0.799 405 E CB -0.054 29.599 29.700 -0.078 0.000 0.748 405 E HN 0.441 nan 8.360 nan 0.000 0.449 406 R N -0.158 120.235 120.500 -0.178 0.000 2.075 406 R HA -0.084 4.256 4.340 0.000 0.000 0.232 406 R C 2.383 178.541 176.300 -0.238 0.000 1.126 406 R CA 0.916 56.894 56.100 -0.203 0.000 0.963 406 R CB -0.303 29.923 30.300 -0.123 0.000 0.858 406 R HN 0.123 nan 8.270 nan 0.000 0.435 407 A N 1.359 124.027 122.820 -0.254 0.000 1.892 407 A HA -0.230 4.090 4.320 0.000 0.000 0.218 407 A C 2.137 179.477 177.584 -0.407 0.000 1.188 407 A CA 1.521 53.370 52.037 -0.313 0.000 0.631 407 A CB -0.488 18.252 19.000 -0.432 0.000 0.822 407 A HN 0.240 nan 8.150 nan 0.000 0.447 408 R N -0.662 119.522 120.500 -0.527 0.000 2.096 408 R HA -0.108 4.232 4.340 0.000 0.000 0.235 408 R C 2.257 178.404 176.300 -0.255 0.000 1.127 408 R CA 1.707 57.578 56.100 -0.381 0.000 0.968 408 R CB -0.194 29.918 30.300 -0.312 0.000 0.861 408 R HN 0.557 nan 8.270 nan 0.000 0.440 409 K N 0.226 120.419 120.400 -0.347 0.000 2.001 409 K HA -0.076 4.244 4.320 0.000 0.000 0.208 409 K C 2.027 178.346 176.600 -0.468 0.000 1.048 409 K CA 1.274 57.204 56.287 -0.596 0.000 0.932 409 K CB -0.114 31.825 32.500 -0.935 0.000 0.715 409 K HN 0.063 nan 8.250 nan 0.000 0.437 410 I N 1.417 121.827 120.570 -0.267 0.000 2.163 410 I HA -0.357 3.813 4.170 0.000 0.000 0.243 410 I C 2.823 179.038 176.117 0.164 0.000 1.085 410 I CA 1.407 62.731 61.300 0.039 0.000 1.347 410 I CB -0.262 37.824 38.000 0.143 0.000 1.044 410 I HN 0.285 nan 8.210 nan 0.000 0.408 411 Q N 0.993 120.825 119.800 0.053 0.000 2.061 411 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 411 Q C 2.378 178.452 176.000 0.124 0.000 0.984 411 Q CA 1.774 57.629 55.803 0.086 0.000 0.846 411 Q CB -0.024 28.735 28.738 0.036 0.000 0.902 411 Q HN 0.420 nan 8.270 nan 0.000 0.421 412 R N -0.830 119.729 120.500 0.099 0.000 2.115 412 R HA -0.083 4.257 4.340 0.000 0.000 0.226 412 R C 2.111 178.598 176.300 0.311 0.000 1.100 412 R CA 0.890 57.104 56.100 0.190 0.000 0.980 412 R CB -0.204 30.194 30.300 0.164 0.000 0.875 412 R HN 0.279 nan 8.270 nan 0.000 0.445 413 F N 1.484 121.476 119.950 0.070 0.000 2.293 413 F HA -0.040 4.487 4.527 0.000 0.000 0.300 413 F C 1.656 177.559 175.800 0.172 0.000 1.086 413 F CA 0.937 58.982 58.000 0.075 0.000 1.375 413 F CB -0.205 38.682 39.000 -0.189 0.000 1.045 413 F HN -0.087 nan 8.300 nan 0.000 0.516 414 L N -0.197 121.194 121.223 0.281 0.000 2.201 414 L HA -0.124 4.216 4.340 0.000 0.000 0.212 414 L C 1.584 178.522 176.870 0.114 0.000 1.105 414 L CA 0.704 55.668 54.840 0.207 0.000 0.775 414 L CB -1.032 41.143 42.059 0.193 0.000 0.913 414 L HN 0.122 nan 8.230 nan 0.000 0.440 415 S N -0.206 115.570 115.700 0.127 0.000 2.566 415 S HA 0.159 4.629 4.470 0.000 0.000 0.280 415 S C -0.269 174.318 174.600 -0.022 0.000 1.343 415 S CA -0.375 57.863 58.200 0.064 0.000 1.036 415 S CB 1.323 64.596 63.200 0.122 0.000 0.866 415 S HN 0.313 nan 8.310 nan 0.000 0.526 416 Q N 1.023 120.743 119.800 -0.133 0.000 2.340 416 Q HA 0.481 4.821 4.340 0.000 0.000 0.276 416 Q C -3.083 172.721 176.000 -0.327 0.000 1.048 416 Q CA -2.124 53.580 55.803 -0.165 0.000 0.832 416 Q CB 2.335 31.050 28.738 -0.039 0.000 1.373 416 Q HN 0.469 nan 8.270 nan 0.000 0.409 417 P HA 0.232 nan 4.420 nan 0.000 0.281 417 P C -1.272 176.050 177.300 0.036 0.000 1.252 417 P CA -0.093 62.921 63.100 -0.145 0.000 0.778 417 P CB 0.321 31.977 31.700 -0.073 0.000 0.895 418 F N 1.385 121.309 119.950 -0.042 0.000 2.404 418 F HA 0.412 4.939 4.527 -0.000 0.000 0.339 418 F C 1.533 177.299 175.800 -0.056 0.000 1.105 418 F CA -1.524 56.439 58.000 -0.063 0.000 1.087 418 F CB 0.490 39.437 39.000 -0.090 0.000 1.143 418 F HN 0.343 nan 8.300 nan 0.000 0.491 419 A N 2.276 125.179 122.820 0.138 0.000 2.121 419 A HA -0.010 4.310 4.320 0.000 0.000 0.218 419 A C 1.873 179.481 177.584 0.039 0.000 1.154 419 A CA 1.597 53.669 52.037 0.059 0.000 0.679 419 A CB -0.886 18.128 19.000 0.022 0.000 0.795 419 A HN 0.641 nan 8.150 nan 0.000 0.458 420 V N -3.377 116.553 119.914 0.027 0.000 2.788 420 V HA 0.184 4.304 4.120 0.000 0.000 0.251 420 V C 2.171 178.262 176.094 -0.005 0.000 1.068 420 V CA 1.341 63.638 62.300 -0.005 0.000 1.090 420 V CB -0.909 30.877 31.823 -0.061 0.000 0.710 420 V HN 0.411 nan 8.190 nan 0.000 0.467 421 A N -0.019 122.807 122.820 0.010 0.000 2.251 421 A HA 0.115 4.435 4.320 0.000 0.000 0.209 421 A C 2.043 179.690 177.584 0.105 0.000 1.187 421 A CA 0.729 52.756 52.037 -0.016 0.000 0.823 421 A CB -0.489 18.471 19.000 -0.067 0.000 0.846 421 A HN 0.619 nan 8.150 nan 0.000 0.486 422 E N 0.255 120.510 120.200 0.091 0.000 2.171 422 E HA -0.193 4.157 4.350 0.000 0.000 0.197 422 E C 1.633 178.303 176.600 0.117 0.000 0.997 422 E CA 1.875 58.326 56.400 0.086 0.000 0.810 422 E CB -0.150 29.586 29.700 0.059 0.000 0.738 422 E HN 0.551 nan 8.360 nan 0.000 0.467 423 V N -2.128 117.894 119.914 0.179 0.000 3.217 423 V HA -0.007 4.113 4.120 0.000 0.000 0.264 423 V C 1.592 177.813 176.094 0.212 0.000 1.135 423 V CA 0.954 63.365 62.300 0.185 0.000 1.142 423 V CB -0.650 31.285 31.823 0.188 0.000 0.754 423 V HN 0.177 nan 8.190 nan 0.000 0.484 424 F N 1.774 121.721 119.950 -0.005 0.000 2.399 424 F HA 0.050 4.577 4.527 0.000 0.000 0.282 424 F C 2.716 178.517 175.800 0.002 0.000 1.027 424 F CA 1.087 59.084 58.000 -0.005 0.000 1.333 424 F CB -0.144 38.847 39.000 -0.014 0.000 1.132 424 F HN 0.193 nan 8.300 nan 0.000 0.590 425 T N -3.085 111.593 114.554 0.207 0.000 3.057 425 T HA 0.342 4.692 4.350 0.000 0.000 0.254 425 T C 1.820 176.566 174.700 0.077 0.000 1.094 425 T CA 0.795 62.967 62.100 0.120 0.000 1.088 425 T CB 0.359 69.281 68.868 0.090 0.000 0.934 425 T HN 0.486 nan 8.240 nan 0.000 0.497 426 G N 1.534 110.377 108.800 0.072 0.000 2.347 426 G HA2 -0.244 3.716 3.960 0.000 0.000 0.247 426 G HA3 -0.244 3.716 3.960 0.000 0.000 0.247 426 G C 0.031 174.951 174.900 0.034 0.000 1.037 426 G CA 0.068 45.196 45.100 0.045 0.000 0.622 426 G HN 0.641 nan 8.290 nan 0.000 0.521 427 I N 4.671 125.259 120.570 0.031 0.000 2.598 427 I HA 0.276 4.446 4.170 0.000 0.000 0.284 427 I C -1.126 174.999 176.117 0.014 0.000 1.140 427 I CA -1.552 59.754 61.300 0.010 0.000 1.420 427 I CB 0.521 38.513 38.000 -0.013 0.000 1.387 427 I HN 0.026 nan 8.210 nan 0.000 0.553 428 P HA 0.139 nan 4.420 nan 0.000 0.272 428 P C -0.109 177.199 177.300 0.014 0.000 1.223 428 P CA -0.311 62.796 63.100 0.013 0.000 0.784 428 P CB 0.658 32.361 31.700 0.005 0.000 0.923 429 G N 2.215 111.032 108.800 0.029 0.000 2.389 429 G HA2 0.458 4.418 3.960 0.000 0.000 0.328 429 G HA3 0.458 4.418 3.960 0.000 0.000 0.328 429 G C -0.655 174.269 174.900 0.041 0.000 1.133 429 G CA -0.599 44.532 45.100 0.052 0.000 0.891 429 G HN 0.287 nan 8.290 nan 0.000 0.485 430 K N 2.072 122.506 120.400 0.057 0.000 2.274 430 K HA 0.289 4.609 4.320 0.000 0.000 0.262 430 K C -1.020 175.611 176.600 0.052 0.000 0.961 430 K CA -0.717 55.593 56.287 0.038 0.000 0.833 430 K CB 2.812 35.326 32.500 0.023 0.000 1.102 430 K HN 0.379 nan 8.250 nan 0.000 0.436 431 L N 3.793 125.025 121.223 0.016 0.000 2.282 431 L HA 0.178 4.518 4.340 0.000 0.000 0.287 431 L C -0.753 176.115 176.870 -0.003 0.000 1.075 431 L CA -0.745 54.092 54.840 -0.005 0.000 0.839 431 L CB 0.681 42.722 42.059 -0.031 0.000 1.219 431 L HN 0.257 nan 8.230 nan 0.000 0.434 432 V N 5.576 125.494 119.914 0.007 0.000 2.432 432 V HA 0.327 4.447 4.120 0.000 0.000 0.271 432 V C 0.755 176.848 176.094 -0.001 0.000 1.046 432 V CA -0.741 61.562 62.300 0.005 0.000 0.945 432 V CB 0.884 32.710 31.823 0.005 0.000 0.992 432 V HN 0.671 nan 8.190 nan 0.000 0.471 433 R N 2.296 122.797 120.500 0.000 0.000 2.734 433 R HA 0.063 4.403 4.340 0.000 0.000 0.266 433 R C 1.175 177.487 176.300 0.020 0.000 1.044 433 R CA -0.292 55.808 56.100 0.001 0.000 1.128 433 R CB 0.458 30.757 30.300 -0.001 0.000 1.010 433 R HN 0.654 nan 8.270 nan 0.000 0.461 434 L N 3.389 124.630 121.223 0.029 0.000 2.083 434 L HA -0.180 4.160 4.340 0.000 0.000 0.209 434 L C 1.802 178.715 176.870 0.072 0.000 1.083 434 L CA 1.931 56.807 54.840 0.060 0.000 0.752 434 L CB -0.192 41.916 42.059 0.080 0.000 0.899 434 L HN 0.436 nan 8.230 nan 0.000 0.433 435 K N -0.347 120.089 120.400 0.060 0.000 2.097 435 K HA -0.155 4.165 4.320 0.000 0.000 0.205 435 K C 1.905 178.543 176.600 0.064 0.000 1.050 435 K CA 1.268 57.594 56.287 0.064 0.000 0.938 435 K CB -0.562 31.968 32.500 0.050 0.000 0.718 435 K HN 0.401 nan 8.250 nan 0.000 0.442 436 D N 0.778 121.212 120.400 0.056 0.000 2.103 436 D HA -0.142 4.498 4.640 0.000 0.000 0.190 436 D C 1.562 177.923 176.300 0.101 0.000 0.997 436 D CA 1.966 56.007 54.000 0.068 0.000 0.833 436 D CB -0.197 40.632 40.800 0.048 0.000 0.961 436 D HN 0.134 nan 8.370 nan 0.000 0.447 437 T N 0.209 114.815 114.554 0.087 0.000 2.592 437 T HA -0.195 4.155 4.350 0.000 0.000 0.267 437 T C 2.193 177.007 174.700 0.189 0.000 1.060 437 T CA 2.075 64.255 62.100 0.134 0.000 1.167 437 T CB -0.794 68.086 68.868 0.020 0.000 0.863 437 T HN 0.006 nan 8.240 nan 0.000 0.431 438 V N 1.847 121.793 119.914 0.053 0.000 2.255 438 V HA -0.196 3.924 4.120 0.000 0.000 0.247 438 V C 2.946 179.109 176.094 0.115 0.000 1.051 438 V CA 1.862 64.165 62.300 0.005 0.000 1.018 438 V CB -1.336 30.461 31.823 -0.044 0.000 0.641 438 V HN 0.607 nan 8.190 nan 0.000 0.445 439 A N -0.721 122.173 122.820 0.123 0.000 1.930 439 A HA -0.164 4.156 4.320 0.000 0.000 0.217 439 A C 2.466 180.160 177.584 0.184 0.000 1.175 439 A CA 1.974 54.091 52.037 0.133 0.000 0.627 439 A CB -0.628 18.436 19.000 0.105 0.000 0.815 439 A HN 0.491 nan 8.150 nan 0.000 0.443 440 S N -0.597 115.238 115.700 0.225 0.000 2.354 440 S HA -0.147 4.323 4.470 0.000 0.000 0.219 440 S C 1.620 176.398 174.600 0.297 0.000 1.035 440 S CA 1.716 60.077 58.200 0.268 0.000 1.037 440 S CB -0.605 62.813 63.200 0.364 0.000 0.956 440 S HN 0.540 nan 8.310 nan 0.000 0.428 441 F N 1.874 121.988 119.950 0.273 0.000 2.161 441 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 441 F C 2.352 178.234 175.800 0.136 0.000 1.089 441 F CA 1.349 59.485 58.000 0.226 0.000 1.282 441 F CB -0.295 38.772 39.000 0.111 0.000 1.010 441 F HN 0.137 nan 8.300 nan 0.000 0.485 442 K N 0.468 121.033 120.400 0.275 0.000 2.032 442 K HA -0.204 4.116 4.320 0.000 0.000 0.209 442 K C 2.275 178.967 176.600 0.154 0.000 1.048 442 K CA 1.354 57.744 56.287 0.171 0.000 0.927 442 K CB -0.347 32.230 32.500 0.128 0.000 0.712 442 K HN 0.209 nan 8.250 nan 0.000 0.441 443 A N 0.595 123.526 122.820 0.184 0.000 1.933 443 A HA -0.101 4.219 4.320 0.000 0.000 0.218 443 A C 2.216 179.933 177.584 0.221 0.000 1.175 443 A CA 1.621 53.778 52.037 0.201 0.000 0.628 443 A CB -0.552 18.648 19.000 0.334 0.000 0.814 443 A HN 0.190 nan 8.150 nan 0.000 0.444 444 V N -0.031 120.019 119.914 0.227 0.000 2.343 444 V HA -0.246 3.874 4.120 0.000 0.000 0.247 444 V C 2.517 178.658 176.094 0.078 0.000 1.051 444 V CA 1.922 64.312 62.300 0.149 0.000 1.036 444 V CB -0.778 31.025 31.823 -0.033 0.000 0.654 444 V HN 0.564 nan 8.190 nan 0.000 0.451 445 L N -0.383 120.897 121.223 0.095 0.000 2.141 445 L HA -0.130 4.210 4.340 0.000 0.000 0.209 445 L C 2.182 179.078 176.870 0.043 0.000 1.094 445 L CA 1.331 56.211 54.840 0.067 0.000 0.763 445 L CB -0.438 41.674 42.059 0.088 0.000 0.908 445 L HN 0.353 nan 8.230 nan 0.000 0.437 446 E N -0.311 119.917 120.200 0.047 0.000 2.485 446 E HA 0.022 4.372 4.350 0.000 0.000 0.194 446 E C 1.367 177.964 176.600 -0.006 0.000 1.098 446 E CA 0.446 56.859 56.400 0.022 0.000 0.878 446 E CB 0.051 29.765 29.700 0.024 0.000 0.939 446 E HN 0.517 nan 8.360 nan 0.000 0.503 447 G N 1.262 110.058 108.800 -0.006 0.000 2.225 447 G HA2 -0.301 3.659 3.960 0.000 0.000 0.254 447 G HA3 -0.301 3.659 3.960 0.000 0.000 0.254 447 G C 0.192 175.055 174.900 -0.062 0.000 0.988 447 G CA 0.112 45.196 45.100 -0.027 0.000 0.625 447 G HN 0.151 nan 8.290 nan 0.000 0.527 448 K N -0.303 120.034 120.400 -0.105 0.000 2.326 448 K HA 0.545 4.865 4.320 0.000 0.000 0.275 448 K C 0.675 177.160 176.600 -0.192 0.000 1.018 448 K CA -0.118 55.984 56.287 -0.308 0.000 0.962 448 K CB -0.038 32.158 32.500 -0.506 0.000 0.953 448 K HN 0.527 nan 8.250 nan 0.000 0.475 449 Y N -1.187 119.119 120.300 0.009 0.000 4.729 449 Y HA -0.283 4.267 4.550 0.000 0.000 0.239 449 Y C 0.463 176.400 175.900 0.062 0.000 1.043 449 Y CA 0.570 58.701 58.100 0.051 0.000 2.045 449 Y CB -2.362 36.169 38.460 0.117 0.000 1.599 449 Y HN 0.738 nan 8.280 nan 0.000 0.655 450 D N 0.461 120.908 120.400 0.078 0.000 2.183 450 D HA -0.086 4.554 4.640 0.000 0.000 0.203 450 D C 1.645 177.974 176.300 0.048 0.000 0.969 450 D CA 1.689 55.713 54.000 0.039 0.000 0.842 450 D CB -0.240 40.558 40.800 -0.004 0.000 0.957 450 D HN 0.726 nan 8.370 nan 0.000 0.484 451 N N 0.197 118.921 118.700 0.040 0.000 2.459 451 N HA -0.082 4.658 4.740 0.000 0.000 0.181 451 N C 0.194 175.743 175.510 0.065 0.000 1.046 451 N CA 0.351 53.422 53.050 0.036 0.000 0.904 451 N CB -0.068 38.424 38.487 0.008 0.000 0.964 451 N HN 0.093 nan 8.380 nan 0.000 0.444 452 I N 2.476 123.118 120.570 0.121 0.000 2.441 452 I HA 0.234 4.404 4.170 0.000 0.000 0.287 452 I C -1.974 174.246 176.117 0.172 0.000 1.049 452 I CA -2.918 58.460 61.300 0.130 0.000 1.381 452 I CB 0.321 38.407 38.000 0.143 0.000 1.409 452 I HN -0.008 nan 8.210 nan 0.000 0.523 453 P HA 0.100 nan 4.420 nan 0.000 0.269 453 P C 0.490 177.939 177.300 0.248 0.000 1.215 453 P CA -0.169 63.015 63.100 0.141 0.000 0.780 453 P CB 0.800 32.562 31.700 0.104 0.000 0.898 454 E N 0.793 121.121 120.200 0.213 0.000 2.153 454 E HA -0.252 4.098 4.350 0.000 0.000 0.194 454 E C 1.671 178.455 176.600 0.306 0.000 0.988 454 E CA 1.333 57.875 56.400 0.236 0.000 0.811 454 E CB -0.583 29.164 29.700 0.078 0.000 0.746 454 E HN 0.641 nan 8.360 nan 0.000 0.466 455 H N 0.992 120.148 119.070 0.144 0.000 2.491 455 H HA 0.073 4.629 4.556 -0.000 0.000 0.290 455 H C 1.756 177.164 175.328 0.133 0.000 1.050 455 H CA 1.193 57.320 56.048 0.131 0.000 1.309 455 H CB 0.028 29.834 29.762 0.075 0.000 1.392 455 H HN 0.143 nan 8.280 nan 0.000 0.554 456 A N -0.841 121.970 122.820 -0.015 0.000 2.239 456 A HA 0.034 4.354 4.320 0.000 0.000 0.209 456 A C 1.268 178.616 177.584 -0.394 0.000 1.171 456 A CA 0.480 52.375 52.037 -0.236 0.000 0.768 456 A CB -0.752 18.084 19.000 -0.274 0.000 0.790 456 A HN 0.469 nan 8.150 nan 0.000 0.478 457 F N -2.602 117.271 119.950 -0.129 0.000 2.656 457 F HA 0.197 4.724 4.527 -0.000 0.000 0.291 457 F C 0.740 176.573 175.800 0.056 0.000 1.122 457 F CA -0.259 57.683 58.000 -0.096 0.000 1.427 457 F CB -0.011 38.906 39.000 -0.137 0.000 1.125 457 F HN 0.286 nan 8.300 nan 0.000 0.583 458 Y N 2.311 122.620 120.300 0.016 0.000 2.465 458 Y HA 0.240 4.790 4.550 -0.000 0.000 0.331 458 Y C 0.437 176.304 175.900 -0.056 0.000 1.102 458 Y CA -1.390 56.697 58.100 -0.023 0.000 1.358 458 Y CB 0.015 38.422 38.460 -0.088 0.000 1.213 458 Y HN 0.030 nan 8.280 nan 0.000 0.525 459 M N 6.275 125.608 119.600 -0.445 0.000 3.616 459 M HA -0.154 4.326 4.480 0.000 0.000 0.163 459 M C -1.182 174.993 176.300 -0.209 0.000 1.444 459 M CA 1.058 56.093 55.300 -0.442 0.000 0.961 459 M CB -2.488 29.687 32.600 -0.709 0.000 1.306 459 M HN 0.526 nan 8.290 nan 0.000 0.505 460 V N -1.422 118.442 119.914 -0.084 0.000 3.181 460 V HA 1.088 5.208 4.120 0.000 0.000 0.307 460 V C 0.438 176.534 176.094 0.003 0.000 1.310 460 V CA -0.162 62.118 62.300 -0.032 0.000 1.067 460 V CB 1.619 33.439 31.823 -0.005 0.000 1.081 460 V HN 0.571 nan 8.190 nan 0.000 0.453 461 G N -0.246 108.562 108.800 0.014 0.000 3.226 461 G HA2 0.589 4.549 3.960 0.000 0.000 0.190 461 G HA3 0.589 4.549 3.960 0.000 0.000 0.190 461 G C 0.589 175.515 174.900 0.044 0.000 1.988 461 G CA -0.004 45.105 45.100 0.016 0.000 0.859 461 G HN 1.447 nan 8.290 nan 0.000 0.631 462 G N -0.765 108.064 108.800 0.048 0.000 2.653 462 G HA2 0.307 4.267 3.960 0.000 0.000 0.265 462 G HA3 0.307 4.267 3.960 0.000 0.000 0.265 462 G C 0.859 175.843 174.900 0.139 0.000 1.237 462 G CA -0.002 45.151 45.100 0.088 0.000 0.946 462 G HN 0.395 nan 8.290 nan 0.000 0.522 463 I N -0.800 119.847 120.570 0.128 0.000 2.454 463 I HA -0.096 4.074 4.170 0.000 0.000 0.254 463 I C 2.363 178.368 176.117 -0.186 0.000 1.156 463 I CA 1.440 62.686 61.300 -0.091 0.000 1.433 463 I CB -0.159 37.750 38.000 -0.151 0.000 1.082 463 I HN 0.756 nan 8.210 nan 0.000 0.432 464 E N 0.069 120.224 120.200 -0.076 0.000 2.204 464 E HA -0.243 4.107 4.350 0.000 0.000 0.195 464 E C 1.369 177.912 176.600 -0.095 0.000 0.990 464 E CA 1.275 57.632 56.400 -0.071 0.000 0.821 464 E CB 0.016 29.701 29.700 -0.026 0.000 0.750 464 E HN 0.526 nan 8.360 nan 0.000 0.477 465 D N -0.376 119.971 120.400 -0.089 0.000 2.183 465 D HA -0.100 4.540 4.640 0.000 0.000 0.203 465 D C 1.897 178.088 176.300 -0.182 0.000 0.969 465 D CA 0.524 54.464 54.000 -0.099 0.000 0.842 465 D CB 0.088 40.854 40.800 -0.056 0.000 0.957 465 D HN 0.073 nan 8.370 nan 0.000 0.484 466 V N 0.406 120.143 119.914 -0.294 0.000 2.548 466 V HA -0.152 3.968 4.120 0.000 0.000 0.249 466 V C 2.421 178.249 176.094 -0.442 0.000 1.055 466 V CA 0.891 62.872 62.300 -0.531 0.000 1.065 466 V CB -0.218 31.016 31.823 -0.981 0.000 0.681 466 V HN 0.078 nan 8.190 nan 0.000 0.462 467 V N 0.331 120.058 119.914 -0.311 0.000 2.407 467 V HA -0.084 4.036 4.120 0.000 0.000 0.245 467 V C 2.678 178.703 176.094 -0.116 0.000 1.041 467 V CA 1.642 63.837 62.300 -0.175 0.000 1.040 467 V CB -1.071 30.703 31.823 -0.082 0.000 0.671 467 V HN 0.505 nan 8.190 nan 0.000 0.455 468 A N -0.108 122.649 122.820 -0.106 0.000 1.930 468 A HA -0.212 4.108 4.320 0.000 0.000 0.217 468 A C 2.302 179.842 177.584 -0.073 0.000 1.175 468 A CA 2.041 54.035 52.037 -0.071 0.000 0.627 468 A CB -0.404 18.561 19.000 -0.059 0.000 0.815 468 A HN 0.489 nan 8.150 nan 0.000 0.443 469 K N -0.586 119.751 120.400 -0.105 0.000 2.228 469 K HA 0.116 4.436 4.320 0.000 0.000 0.202 469 K C 2.025 178.578 176.600 -0.079 0.000 1.051 469 K CA 0.838 57.070 56.287 -0.092 0.000 0.960 469 K CB -0.188 32.234 32.500 -0.129 0.000 0.743 469 K HN 0.393 nan 8.250 nan 0.000 0.458 470 A N 0.787 123.541 122.820 -0.110 0.000 1.929 470 A HA -0.129 4.191 4.320 0.000 0.000 0.216 470 A C 1.782 179.345 177.584 -0.036 0.000 1.176 470 A CA 1.290 53.280 52.037 -0.079 0.000 0.628 470 A CB -0.292 18.640 19.000 -0.113 0.000 0.816 470 A HN 0.328 nan 8.150 nan 0.000 0.444 471 E N -0.117 120.061 120.200 -0.037 0.000 2.077 471 E HA -0.175 4.175 4.350 0.000 0.000 0.193 471 E C 1.982 178.575 176.600 -0.012 0.000 0.989 471 E CA 1.448 57.837 56.400 -0.020 0.000 0.800 471 E CB -0.090 29.598 29.700 -0.020 0.000 0.746 471 E HN 0.563 nan 8.360 nan 0.000 0.452 472 K N 0.079 120.471 120.400 -0.013 0.000 2.148 472 K HA -0.079 4.241 4.320 0.000 0.000 0.204 472 K C 1.902 178.507 176.600 0.008 0.000 1.050 472 K CA 0.648 56.933 56.287 -0.003 0.000 0.942 472 K CB 0.106 32.604 32.500 -0.005 0.000 0.724 472 K HN 0.077 nan 8.250 nan 0.000 0.446 473 L N 0.210 121.442 121.223 0.014 0.000 1.984 473 L HA 0.046 4.386 4.340 0.000 0.000 0.207 473 L C 1.258 178.139 176.870 0.020 0.000 1.111 473 L CA 0.480 55.340 54.840 0.033 0.000 0.770 473 L CB -0.395 41.706 42.059 0.069 0.000 0.900 473 L HN 0.084 nan 8.230 nan 0.000 0.441 474 A N 0.000 122.830 122.820 0.017 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.044 52.037 0.011 0.000 0.836 474 A CB 0.000 19.010 19.000 0.016 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486