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 3l70_1_B DATA FIRST_RESID 20 DATA SEQUENCE GAEDLEITKL PNGLIIASLE NFSPASRIGV FIKAGSRYET TANLGTAHLL DATA SEQUENCE RLASPLTTKG ASSFRITRGI EAVGGSLSVY STREKMTYCV ECLRDHVDTV DATA SEQUENCE MEYLLNVTTA PEFRPWEVTD LQPQLKVDKA VAFQSPQVGV LENLHAAAYK DATA SEQUENCE TALANPLYCP DYRIGKITSE QLHHFVQNNF TSARMALVGI GVKHSDLKQV DATA SEQUENCE AEQFLNIRSG AGTSSAKATY WGGEIREQNG HSLVHAAVVT EGAAVGSAEA DATA SEQUENCE NAFSVLQHVL GAGPLIKRGS SVTSKLYQGV AKATTQPFDA SAFNVNYSDS DATA SEQUENCE GLFGFYTISQ AAHAGEVIRA AMNQLKAAAQ GGVTEEDVTK AKNQLKATYL DATA SEQUENCE MSVETAQGLL NEIGSEALLS GTHTAPSVVA QKIDSVTSAD VVNAAKKFVS DATA SEQUENCE GKKSMAASGD LGSTPFLDEL 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 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 20 G C 0.000 174.910 174.900 0.017 0.000 0.946 20 G CA 0.000 44.911 45.100 -0.315 0.000 0.502 21 A N 2.734 125.638 122.820 0.139 0.000 1.246 21 A HA 0.628 4.948 4.320 0.000 0.000 0.216 21 A C -0.656 176.977 177.584 0.081 0.000 1.117 21 A CA 0.160 52.264 52.037 0.111 0.000 0.895 21 A CB -0.223 nan 19.000 nan 0.000 0.766 21 A HN 2.064 nan 8.150 nan 0.000 0.413 22 E N 1.879 122.129 120.200 0.083 0.000 2.500 22 E HA 0.487 4.837 4.350 0.000 0.000 0.288 22 E C -0.533 176.076 176.600 0.015 0.000 1.147 22 E CA -0.216 56.209 56.400 0.042 0.000 0.916 22 E CB 0.592 30.320 29.700 0.047 0.000 1.181 22 E HN 1.756 nan 8.360 nan 0.000 0.433 23 D N 0.550 120.941 120.400 -0.015 0.000 4.199 23 D HA -0.195 4.445 4.640 0.000 0.000 0.291 23 D C -0.751 175.493 176.300 -0.093 0.000 2.213 23 D CA 0.753 54.723 54.000 -0.050 0.000 1.174 23 D CB -0.680 40.094 40.800 -0.044 0.000 1.012 23 D HN 1.299 nan 8.370 nan 0.000 1.213 24 L N -0.609 120.545 121.223 -0.115 0.000 3.757 24 L HA 0.282 4.622 4.340 0.000 0.000 0.212 24 L C -0.850 175.934 176.870 -0.143 0.000 1.038 24 L CA -0.018 54.734 54.840 -0.148 0.000 1.370 24 L CB -0.279 41.611 42.059 -0.282 0.000 1.674 24 L HN 0.594 nan 8.230 nan 0.000 0.725 25 E N 2.736 122.839 120.200 -0.161 0.000 2.428 25 E HA 0.542 4.892 4.350 0.000 0.000 0.257 25 E C 0.008 176.443 176.600 -0.275 0.000 1.197 25 E CA 0.369 56.568 56.400 -0.334 0.000 0.974 25 E CB 1.350 30.647 29.700 -0.671 0.000 0.976 25 E HN 0.513 nan 8.360 nan 0.000 0.463 26 I N 0.990 121.376 120.570 -0.307 0.000 2.574 26 I HA 0.080 4.250 4.170 0.000 0.000 0.263 26 I C -0.935 175.202 176.117 0.034 0.000 1.292 26 I CA -0.113 61.194 61.300 0.012 0.000 1.079 26 I CB 0.509 38.518 38.000 0.015 0.000 1.388 26 I HN 0.438 nan 8.210 nan 0.000 0.485 27 T N 4.555 119.221 114.554 0.188 0.000 2.698 27 T HA 0.223 4.573 4.350 0.000 0.000 0.295 27 T C 0.226 174.981 174.700 0.092 0.000 1.007 27 T CA -0.404 61.783 62.100 0.145 0.000 0.980 27 T CB 0.828 69.841 68.868 0.243 0.000 1.036 27 T HN 0.545 nan 8.240 nan 0.000 0.526 28 K N 1.157 121.594 120.400 0.061 0.000 3.306 28 K HA 0.267 4.587 4.320 0.000 0.000 0.169 28 K C -0.278 176.342 176.600 0.032 0.000 1.110 28 K CA -0.219 56.093 56.287 0.040 0.000 0.783 28 K CB -0.110 32.408 32.500 0.030 0.000 0.958 28 K HN 0.521 nan 8.250 nan 0.000 0.581 29 L N 1.359 122.602 121.223 0.033 0.000 2.685 29 L HA -0.225 4.115 4.340 0.000 0.000 0.339 29 L C -1.300 175.581 176.870 0.018 0.000 1.305 29 L CA -0.230 54.624 54.840 0.024 0.000 0.835 29 L CB 0.075 42.147 42.059 0.020 0.000 1.035 29 L HN 0.370 nan 8.230 nan 0.000 0.585 30 P HA -0.213 nan 4.420 nan 0.000 0.214 30 P C 0.800 178.106 177.300 0.010 0.000 1.169 30 P CA 2.172 65.278 63.100 0.010 0.000 0.908 30 P CB -0.190 31.514 31.700 0.006 0.000 0.791 31 N N -1.985 116.721 118.700 0.009 0.000 2.609 31 N HA -0.008 4.732 4.740 0.000 0.000 0.190 31 N C 1.082 176.600 175.510 0.013 0.000 1.157 31 N CA 0.745 53.801 53.050 0.010 0.000 0.918 31 N CB -0.453 38.039 38.487 0.008 0.000 0.978 31 N HN 0.205 nan 8.380 nan 0.000 0.448 32 G N 0.405 109.214 108.800 0.015 0.000 2.176 32 G HA2 -0.243 3.717 3.960 0.000 0.000 0.232 32 G HA3 -0.243 3.717 3.960 0.000 0.000 0.232 32 G C -0.225 174.686 174.900 0.018 0.000 0.986 32 G CA -0.091 45.019 45.100 0.017 0.000 0.643 32 G HN 0.328 nan 8.290 nan 0.000 0.522 33 L N 2.393 123.627 121.223 0.017 0.000 2.407 33 L HA 0.621 4.961 4.340 0.000 0.000 0.282 33 L C 0.600 177.481 176.870 0.019 0.000 1.110 33 L CA -0.550 54.300 54.840 0.017 0.000 0.863 33 L CB 0.099 42.167 42.059 0.015 0.000 1.207 33 L HN 0.193 nan 8.230 nan 0.000 0.454 34 I N 6.331 126.912 120.570 0.018 0.000 2.441 34 I HA 0.210 4.380 4.170 0.000 0.000 0.287 34 I C -0.133 175.993 176.117 0.015 0.000 1.049 34 I CA -0.044 61.268 61.300 0.020 0.000 1.381 34 I CB 0.750 38.757 38.000 0.013 0.000 1.409 34 I HN 0.514 nan 8.210 nan 0.000 0.523 35 I N 6.277 126.867 120.570 0.032 0.000 2.420 35 I HA 0.454 4.624 4.170 0.000 0.000 0.282 35 I C 0.145 176.315 176.117 0.088 0.000 1.019 35 I CA -0.351 60.954 61.300 0.009 0.000 1.130 35 I CB 1.481 39.446 38.000 -0.059 0.000 1.262 35 I HN 0.580 nan 8.210 nan 0.000 0.454 36 A N 4.533 127.372 122.820 0.033 0.000 2.282 36 A HA 0.880 5.200 4.320 0.000 0.000 0.319 36 A C -0.198 177.426 177.584 0.068 0.000 1.121 36 A CA -0.425 51.650 52.037 0.064 0.000 0.836 36 A CB 1.577 20.558 19.000 -0.032 0.000 1.146 36 A HN 0.621 nan 8.150 nan 0.000 0.494 37 S N -0.066 115.706 115.700 0.121 0.000 2.556 37 S HA 0.532 5.002 4.470 0.000 0.000 0.280 37 S C -2.144 172.480 174.600 0.040 0.000 1.141 37 S CA -0.438 57.822 58.200 0.100 0.000 0.883 37 S CB 1.101 64.433 63.200 0.219 0.000 1.103 37 S HN 1.949 nan 8.310 nan 0.000 0.453 38 L N 3.231 124.444 121.223 -0.017 0.000 2.562 38 L HA 0.772 5.112 4.340 0.000 0.000 0.266 38 L C -1.135 175.680 176.870 -0.091 0.000 0.949 38 L CA -0.189 54.617 54.840 -0.055 0.000 0.879 38 L CB 1.897 43.917 42.059 -0.065 0.000 1.278 38 L HN 0.817 nan 8.230 nan 0.000 0.404 39 E N 2.872 122.987 120.200 -0.141 0.000 2.046 39 E HA 0.353 4.703 4.350 0.000 0.000 0.279 39 E C -0.209 176.231 176.600 -0.267 0.000 0.989 39 E CA -0.103 56.121 56.400 -0.292 0.000 0.798 39 E CB 0.559 29.985 29.700 -0.458 0.000 1.086 39 E HN 0.591 nan 8.360 nan 0.000 0.399 40 N N 4.344 122.946 118.700 -0.163 0.000 2.238 40 N HA 0.031 4.771 4.740 0.000 0.000 0.222 40 N C -0.406 175.188 175.510 0.140 0.000 1.133 40 N CA -0.500 52.563 53.050 0.021 0.000 0.854 40 N CB -0.625 37.878 38.487 0.026 0.000 1.041 40 N HN 0.511 nan 8.380 nan 0.000 0.510 41 F N -0.498 119.450 119.950 -0.003 0.000 3.105 41 F HA -0.289 4.238 4.527 0.000 0.000 0.280 41 F C 0.830 176.628 175.800 -0.003 0.000 0.894 41 F CA 0.662 58.660 58.000 -0.004 0.000 0.992 41 F CB -2.280 36.717 39.000 -0.005 0.000 1.047 41 F HN 0.156 nan 8.300 nan 0.000 0.607 42 S N 1.566 117.319 115.700 0.088 0.000 2.572 42 S HA 0.229 4.699 4.470 0.000 0.000 0.279 42 S C -0.292 174.339 174.600 0.050 0.000 1.341 42 S CA -0.772 57.467 58.200 0.064 0.000 1.043 42 S CB 1.036 64.255 63.200 0.033 0.000 0.887 42 S HN 0.080 nan 8.310 nan 0.000 0.516 43 P HA 0.095 nan 4.420 nan 0.000 0.228 43 P C -0.092 177.221 177.300 0.023 0.000 1.151 43 P CA 0.570 63.691 63.100 0.034 0.000 0.770 43 P CB -0.041 31.679 31.700 0.032 0.000 0.786 44 A N -0.737 122.097 122.820 0.023 0.000 2.401 44 A HA 0.636 4.956 4.320 0.000 0.000 0.310 44 A C -0.075 177.517 177.584 0.014 0.000 1.075 44 A CA -0.381 51.669 52.037 0.022 0.000 0.746 44 A CB 1.406 20.424 19.000 0.030 0.000 1.277 44 A HN -0.033 nan 8.150 nan 0.000 0.425 45 S N -0.157 115.552 115.700 0.015 0.000 2.718 45 S HA 0.835 5.305 4.470 0.000 0.000 0.300 45 S C -0.119 174.497 174.600 0.026 0.000 1.117 45 S CA -0.725 57.480 58.200 0.009 0.000 1.002 45 S CB 1.377 64.576 63.200 -0.000 0.000 1.092 45 S HN 0.749 nan 8.310 nan 0.000 0.542 46 R N 1.226 121.744 120.500 0.029 0.000 2.912 46 R HA 0.393 4.733 4.340 0.000 0.000 0.278 46 R C -1.879 174.459 176.300 0.063 0.000 1.533 46 R CA -0.080 56.050 56.100 0.050 0.000 1.061 46 R CB -0.002 30.329 30.300 0.052 0.000 1.313 46 R HN 0.648 nan 8.270 nan 0.000 0.443 47 I N 2.554 123.164 120.570 0.066 0.000 2.488 47 I HA 0.674 4.844 4.170 0.000 0.000 0.299 47 I C 0.566 176.754 176.117 0.119 0.000 0.984 47 I CA -0.717 60.629 61.300 0.078 0.000 1.250 47 I CB 2.089 40.116 38.000 0.046 0.000 1.389 47 I HN 0.748 nan 8.210 nan 0.000 0.488 48 G N 3.802 112.710 108.800 0.180 0.000 2.733 48 G HA2 0.560 4.520 3.960 0.000 0.000 0.297 48 G HA3 0.560 4.520 3.960 0.000 0.000 0.297 48 G C -1.664 173.401 174.900 0.276 0.000 1.422 48 G CA -0.364 44.860 45.100 0.207 0.000 0.942 48 G HN 0.300 nan 8.290 nan 0.000 0.510 49 V N 2.093 122.097 119.914 0.151 0.000 2.311 49 V HA 0.409 4.529 4.120 0.000 0.000 0.275 49 V C -0.758 175.397 176.094 0.101 0.000 1.022 49 V CA -0.627 61.761 62.300 0.147 0.000 0.830 49 V CB 0.177 32.003 31.823 0.005 0.000 1.012 49 V HN 0.495 nan 8.190 nan 0.000 0.452 50 F N 5.343 125.294 119.950 0.001 0.000 2.384 50 F HA 0.657 5.184 4.527 0.000 0.000 0.338 50 F C 0.368 176.132 175.800 -0.061 0.000 1.103 50 F CA -0.822 57.180 58.000 0.003 0.000 1.157 50 F CB 0.926 39.936 39.000 0.017 0.000 1.167 50 F HN 0.231 nan 8.300 nan 0.000 0.529 51 I N 1.963 122.564 120.570 0.051 0.000 2.802 51 I HA 0.269 4.439 4.170 0.000 0.000 0.298 51 I C -0.810 175.303 176.117 -0.006 0.000 1.176 51 I CA -1.138 60.115 61.300 -0.078 0.000 1.025 51 I CB 2.547 40.302 38.000 -0.408 0.000 1.243 51 I HN 0.376 nan 8.210 nan 0.000 0.424 52 K N 4.548 124.942 120.400 -0.009 0.000 2.219 52 K HA 0.714 5.035 4.320 0.000 0.000 0.280 52 K C -0.652 175.869 176.600 -0.132 0.000 1.104 52 K CA -0.149 56.157 56.287 0.031 0.000 0.925 52 K CB 0.944 33.491 32.500 0.079 0.000 1.261 52 K HN 0.689 nan 8.250 nan 0.000 0.445 53 A N 1.798 124.587 122.820 -0.051 0.000 2.599 53 A HA 0.831 5.151 4.320 0.000 0.000 0.294 53 A C -0.743 176.980 177.584 0.232 0.000 1.055 53 A CA -0.276 51.693 52.037 -0.114 0.000 0.683 53 A CB 1.812 20.937 19.000 0.208 0.000 1.278 53 A HN 0.685 nan 8.150 nan 0.000 0.412 54 G N -0.841 108.222 108.800 0.438 0.000 2.320 54 G HA2 0.557 4.517 3.960 0.000 0.000 0.297 54 G HA3 0.557 4.517 3.960 0.000 0.000 0.297 54 G C 0.617 175.750 174.900 0.388 0.000 1.344 54 G CA 0.639 45.954 45.100 0.358 0.000 0.851 54 G HN 2.017 nan 8.290 nan 0.000 0.567 55 S N -0.558 115.231 115.700 0.148 0.000 2.520 55 S HA -0.181 4.289 4.470 0.000 0.000 0.249 55 S C 1.945 176.618 174.600 0.122 0.000 0.983 55 S CA 1.629 59.882 58.200 0.088 0.000 0.958 55 S CB -0.191 62.995 63.200 -0.025 0.000 0.750 55 S HN 0.751 nan 8.310 nan 0.000 0.527 56 R N 0.218 120.817 120.500 0.164 0.000 2.092 56 R HA -0.049 4.291 4.340 0.000 0.000 0.231 56 R C 0.876 177.142 176.300 -0.056 0.000 1.119 56 R CA 1.264 57.355 56.100 -0.016 0.000 0.970 56 R CB -0.233 29.990 30.300 -0.128 0.000 0.864 56 R HN 0.579 nan 8.270 nan 0.000 0.440 57 Y N 0.830 121.208 120.300 0.130 0.000 2.471 57 Y HA 0.252 4.802 4.550 0.000 0.000 0.286 57 Y C 0.008 176.026 175.900 0.196 0.000 1.188 57 Y CA -0.199 57.977 58.100 0.126 0.000 1.286 57 Y CB -0.021 38.476 38.460 0.061 0.000 1.072 57 Y HN 0.000 nan 8.280 nan 0.000 0.517 58 E N -0.015 120.377 120.200 0.320 0.000 2.349 58 E HA 0.305 4.655 4.350 0.000 0.000 0.265 58 E C -0.216 176.466 176.600 0.137 0.000 1.064 58 E CA -0.086 56.458 56.400 0.240 0.000 0.886 58 E CB 0.982 30.769 29.700 0.143 0.000 1.036 58 E HN 0.012 nan 8.360 nan 0.000 0.413 59 T N 0.512 115.139 114.554 0.121 0.000 2.942 59 T HA 0.055 4.405 4.350 0.000 0.000 0.289 59 T C 1.152 175.898 174.700 0.077 0.000 1.044 59 T CA -0.602 61.549 62.100 0.085 0.000 1.023 59 T CB 1.614 70.531 68.868 0.083 0.000 1.123 59 T HN 0.535 nan 8.240 nan 0.000 0.512 60 T N 1.283 115.878 114.554 0.069 0.000 2.802 60 T HA -0.198 4.152 4.350 0.000 0.000 0.269 60 T C 1.913 176.671 174.700 0.096 0.000 1.062 60 T CA 1.936 64.087 62.100 0.084 0.000 1.133 60 T CB -0.443 68.464 68.868 0.065 0.000 0.852 60 T HN 0.637 nan 8.240 nan 0.000 0.485 61 A N 1.838 124.705 122.820 0.077 0.000 1.970 61 A HA 0.023 4.343 4.320 0.000 0.000 0.216 61 A C 1.759 179.379 177.584 0.059 0.000 1.170 61 A CA 1.435 53.514 52.037 0.071 0.000 0.645 61 A CB -0.183 18.855 19.000 0.064 0.000 0.816 61 A HN 0.749 nan 8.150 nan 0.000 0.447 62 N N -0.299 118.435 118.700 0.057 0.000 2.299 62 N HA 0.186 4.926 4.740 0.000 0.000 0.246 62 N C -0.401 175.098 175.510 -0.017 0.000 1.254 62 N CA -0.354 52.711 53.050 0.026 0.000 0.879 62 N CB -0.694 37.835 38.487 0.071 0.000 1.214 62 N HN 0.317 nan 8.380 nan 0.000 0.510 63 L N 0.561 121.776 121.223 -0.014 0.000 2.573 63 L HA 0.073 4.413 4.340 0.000 0.000 0.290 63 L C 1.619 178.415 176.870 -0.124 0.000 1.247 63 L CA 1.559 56.368 54.840 -0.051 0.000 0.876 63 L CB 0.008 42.040 42.059 -0.045 0.000 1.123 63 L HN 0.550 nan 8.230 nan 0.000 0.505 64 G N 1.142 109.874 108.800 -0.113 0.000 2.267 64 G HA2 -0.389 3.571 3.960 0.000 0.000 0.257 64 G HA3 -0.389 3.571 3.960 0.000 0.000 0.257 64 G C 0.992 175.776 174.900 -0.193 0.000 0.998 64 G CA 0.802 45.827 45.100 -0.125 0.000 0.620 64 G HN 0.706 nan 8.290 nan 0.000 0.529 65 T N 0.421 114.823 114.554 -0.253 0.000 2.803 65 T HA 0.091 4.441 4.350 0.000 0.000 0.269 65 T C 2.657 177.037 174.700 -0.533 0.000 1.052 65 T CA 2.904 64.781 62.100 -0.371 0.000 1.136 65 T CB -0.463 68.196 68.868 -0.349 0.000 0.864 65 T HN 1.407 nan 8.240 nan 0.000 0.467 66 A N -0.008 122.456 122.820 -0.594 0.000 1.898 66 A HA -0.075 4.245 4.320 0.000 0.000 0.216 66 A C 2.141 179.590 177.584 -0.224 0.000 1.181 66 A CA 2.031 53.724 52.037 -0.573 0.000 0.620 66 A CB -1.190 17.578 19.000 -0.386 0.000 0.819 66 A HN 0.863 nan 8.150 nan 0.000 0.442 67 H N -1.065 117.845 119.070 -0.267 0.000 2.293 67 H HA -0.145 4.411 4.556 0.000 0.000 0.300 67 H C 2.025 177.244 175.328 -0.182 0.000 1.082 67 H CA 1.512 57.443 56.048 -0.196 0.000 1.308 67 H CB -0.080 29.593 29.762 -0.148 0.000 1.375 67 H HN 0.348 nan 8.280 nan 0.000 0.495 68 L N 0.836 121.936 121.223 -0.205 0.000 2.127 68 L HA -0.134 4.206 4.340 0.000 0.000 0.211 68 L C 2.309 179.041 176.870 -0.230 0.000 1.089 68 L CA 1.197 55.866 54.840 -0.286 0.000 0.757 68 L CB -0.734 41.127 42.059 -0.330 0.000 0.899 68 L HN 0.383 nan 8.230 nan 0.000 0.434 69 L N -0.409 120.670 121.223 -0.240 0.000 2.093 69 L HA -0.173 4.167 4.340 0.000 0.000 0.208 69 L C 2.738 179.602 176.870 -0.010 0.000 1.085 69 L CA 1.759 56.495 54.840 -0.173 0.000 0.755 69 L CB -0.581 41.377 42.059 -0.167 0.000 0.904 69 L HN 0.322 nan 8.230 nan 0.000 0.435 70 R N -0.682 119.802 120.500 -0.026 0.000 2.081 70 R HA -0.131 4.209 4.340 0.000 0.000 0.235 70 R C 2.094 178.364 176.300 -0.050 0.000 1.131 70 R CA 1.790 57.859 56.100 -0.051 0.000 0.960 70 R CB -0.306 29.967 30.300 -0.046 0.000 0.856 70 R HN 0.435 nan 8.270 nan 0.000 0.436 71 L N -0.186 121.023 121.223 -0.023 0.000 2.478 71 L HA 0.092 4.432 4.340 0.000 0.000 0.223 71 L C 2.025 178.876 176.870 -0.032 0.000 1.140 71 L CA 0.478 55.298 54.840 -0.033 0.000 0.842 71 L CB -0.121 41.909 42.059 -0.048 0.000 0.953 71 L HN 0.257 nan 8.230 nan 0.000 0.452 72 A N -0.147 122.660 122.820 -0.021 0.000 2.251 72 A HA -0.014 4.306 4.320 0.000 0.000 0.209 72 A C 2.322 179.983 177.584 0.129 0.000 1.187 72 A CA 0.770 52.823 52.037 0.028 0.000 0.823 72 A CB -0.288 18.693 19.000 -0.032 0.000 0.846 72 A HN 0.440 nan 8.150 nan 0.000 0.486 73 S N 1.467 117.241 115.700 0.124 0.000 2.407 73 S HA -0.128 4.343 4.470 0.000 0.000 0.235 73 S C -0.261 174.413 174.600 0.123 0.000 1.036 73 S CA 1.536 59.844 58.200 0.180 0.000 1.013 73 S CB -1.435 61.829 63.200 0.108 0.000 0.820 73 S HN 0.617 nan 8.310 nan 0.000 0.476 74 P HA 0.282 nan 4.420 nan 0.000 0.255 74 P C 0.211 177.541 177.300 0.051 0.000 1.248 74 P CA -0.008 63.116 63.100 0.040 0.000 0.807 74 P CB -0.090 31.615 31.700 0.007 0.000 1.150 75 L N 0.914 122.181 121.223 0.074 0.000 2.452 75 L HA 0.136 4.476 4.340 0.000 0.000 0.267 75 L C 1.283 178.186 176.870 0.054 0.000 1.188 75 L CA -0.360 54.520 54.840 0.067 0.000 0.821 75 L CB -0.119 41.995 42.059 0.092 0.000 1.102 75 L HN -0.021 nan 8.230 nan 0.000 0.470 76 T N -1.084 113.495 114.554 0.042 0.000 2.939 76 T HA 0.201 4.551 4.350 0.000 0.000 0.319 76 T C 0.179 174.877 174.700 -0.003 0.000 1.082 76 T CA -0.545 61.580 62.100 0.042 0.000 1.133 76 T CB 0.465 69.368 68.868 0.058 0.000 1.019 76 T HN 0.793 nan 8.240 nan 0.000 0.548 77 T N -0.311 114.252 114.554 0.015 0.000 2.910 77 T HA 0.490 4.841 4.350 0.000 0.000 0.287 77 T C 0.943 175.645 174.700 0.002 0.000 1.050 77 T CA -1.281 60.807 62.100 -0.019 0.000 1.011 77 T CB 1.689 70.562 68.868 0.009 0.000 1.195 77 T HN 0.541 nan 8.240 nan 0.000 0.540 78 K N -0.056 120.337 120.400 -0.012 0.000 2.148 78 K HA 0.052 4.372 4.320 0.000 0.000 0.204 78 K C 2.143 178.759 176.600 0.026 0.000 1.050 78 K CA 1.310 57.600 56.287 0.006 0.000 0.942 78 K CB -0.388 32.109 32.500 -0.006 0.000 0.724 78 K HN 0.756 nan 8.250 nan 0.000 0.446 79 G N 0.121 108.939 108.800 0.030 0.000 2.656 79 G HA2 0.249 4.209 3.960 0.000 0.000 0.211 79 G HA3 0.249 4.209 3.960 0.000 0.000 0.211 79 G C 0.036 174.971 174.900 0.058 0.000 1.137 79 G CA 0.283 45.404 45.100 0.036 0.000 0.802 79 G HN 0.300 nan 8.290 nan 0.000 0.527 80 A N 0.086 122.960 122.820 0.089 0.000 2.454 80 A HA 0.728 5.048 4.320 0.000 0.000 0.302 80 A C -0.040 177.628 177.584 0.140 0.000 1.079 80 A CA -0.064 52.065 52.037 0.155 0.000 0.731 80 A CB 1.409 20.582 19.000 0.289 0.000 1.299 80 A HN 0.701 nan 8.150 nan 0.000 0.413 81 S N 0.402 116.195 115.700 0.154 0.000 2.646 81 S HA 0.433 4.903 4.470 0.000 0.000 0.276 81 S C 1.203 175.883 174.600 0.134 0.000 1.222 81 S CA 0.306 58.595 58.200 0.147 0.000 1.014 81 S CB 1.437 64.747 63.200 0.183 0.000 0.991 81 S HN 1.302 nan 8.310 nan 0.000 0.533 82 S N 0.647 116.424 115.700 0.129 0.000 2.380 82 S HA -0.190 4.280 4.470 0.000 0.000 0.229 82 S C 1.401 176.066 174.600 0.109 0.000 1.043 82 S CA 1.856 60.118 58.200 0.104 0.000 1.038 82 S CB -0.904 62.366 63.200 0.118 0.000 0.872 82 S HN 0.726 nan 8.310 nan 0.000 0.456 83 F N 1.984 121.942 119.950 0.013 0.000 2.113 83 F HA 0.069 4.596 4.527 0.000 0.000 0.297 83 F C 2.477 178.256 175.800 -0.035 0.000 1.103 83 F CA 1.891 59.888 58.000 -0.005 0.000 1.248 83 F CB -0.547 38.461 39.000 0.013 0.000 0.999 83 F HN 0.102 nan 8.300 nan 0.000 0.475 84 R N 0.369 120.830 120.500 -0.064 0.000 2.092 84 R HA -0.086 4.254 4.340 0.000 0.000 0.231 84 R C 2.353 178.425 176.300 -0.381 0.000 1.119 84 R CA 1.592 57.578 56.100 -0.191 0.000 0.970 84 R CB -0.383 29.977 30.300 0.100 0.000 0.864 84 R HN 0.398 nan 8.270 nan 0.000 0.440 85 I N -0.189 120.209 120.570 -0.287 0.000 2.118 85 I HA -0.327 3.843 4.170 0.000 0.000 0.241 85 I C 2.044 177.817 176.117 -0.574 0.000 1.070 85 I CA 1.750 62.741 61.300 -0.514 0.000 1.327 85 I CB -0.431 37.483 38.000 -0.144 0.000 1.034 85 I HN 0.233 nan 8.210 nan 0.000 0.405 86 T N 0.229 114.568 114.554 -0.359 0.000 2.732 86 T HA -0.070 4.280 4.350 0.000 0.000 0.261 86 T C 2.065 176.544 174.700 -0.368 0.000 1.040 86 T CA 0.846 62.763 62.100 -0.305 0.000 1.145 86 T CB -0.109 68.645 68.868 -0.191 0.000 0.866 86 T HN 0.154 nan 8.240 nan 0.000 0.427 87 R N 0.957 121.166 120.500 -0.486 0.000 2.091 87 R HA 0.007 4.347 4.340 0.000 0.000 0.238 87 R C 2.747 178.824 176.300 -0.370 0.000 1.136 87 R CA 1.496 57.316 56.100 -0.468 0.000 0.959 87 R CB -1.438 28.411 30.300 -0.752 0.000 0.856 87 R HN 0.503 nan 8.270 nan 0.000 0.437 88 G N 1.302 109.834 108.800 -0.447 0.000 2.459 88 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 88 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 88 G C 1.667 176.387 174.900 -0.300 0.000 1.183 88 G CA 0.749 45.636 45.100 -0.355 0.000 0.776 88 G HN 0.242 nan 8.290 nan 0.000 0.552 89 I N 0.573 120.870 120.570 -0.454 0.000 2.163 89 I HA -0.165 4.005 4.170 0.000 0.000 0.243 89 I C 2.791 178.811 176.117 -0.162 0.000 1.085 89 I CA 1.352 62.514 61.300 -0.230 0.000 1.347 89 I CB -0.285 37.583 38.000 -0.220 0.000 1.044 89 I HN 0.282 nan 8.210 nan 0.000 0.408 90 E N 0.782 120.872 120.200 -0.183 0.000 2.204 90 E HA -0.195 4.155 4.350 0.000 0.000 0.195 90 E C 2.254 178.776 176.600 -0.130 0.000 0.990 90 E CA 1.039 57.356 56.400 -0.138 0.000 0.821 90 E CB -0.137 29.481 29.700 -0.136 0.000 0.750 90 E HN 0.519 nan 8.360 nan 0.000 0.477 91 A N 1.259 123.990 122.820 -0.149 0.000 2.019 91 A HA -0.121 4.199 4.320 0.000 0.000 0.219 91 A C 2.154 179.634 177.584 -0.173 0.000 1.164 91 A CA 1.426 53.382 52.037 -0.134 0.000 0.644 91 A CB -0.255 18.674 19.000 -0.120 0.000 0.805 91 A HN 0.212 nan 8.150 nan 0.000 0.449 92 V N -4.352 115.425 119.914 -0.227 0.000 3.043 92 V HA 0.600 4.720 4.120 0.000 0.000 0.357 92 V C 0.976 176.941 176.094 -0.214 0.000 1.372 92 V CA 0.136 62.190 62.300 -0.409 0.000 1.214 92 V CB -0.893 30.508 31.823 -0.703 0.000 1.224 92 V HN 1.309 nan 8.190 nan 0.000 0.507 93 G N 0.125 108.855 108.800 -0.117 0.000 2.296 93 G HA2 -0.169 3.791 3.960 0.000 0.000 0.282 93 G HA3 -0.169 3.791 3.960 0.000 0.000 0.282 93 G C 0.580 175.465 174.900 -0.026 0.000 1.014 93 G CA 0.484 45.553 45.100 -0.050 0.000 0.812 93 G HN 1.376 nan 8.290 nan 0.000 0.508 94 G N -0.947 107.829 108.800 -0.041 0.000 2.537 94 G HA2 0.858 4.818 3.960 0.000 0.000 0.297 94 G HA3 0.858 4.818 3.960 0.000 0.000 0.297 94 G C 0.197 175.087 174.900 -0.016 0.000 1.310 94 G CA 0.537 45.632 45.100 -0.008 0.000 1.027 94 G HN 1.695 nan 8.290 nan 0.000 0.505 95 S N -1.792 113.909 115.700 0.002 0.000 2.579 95 S HA 0.679 5.149 4.470 0.000 0.000 0.272 95 S C -1.528 173.074 174.600 0.004 0.000 1.141 95 S CA -0.773 57.424 58.200 -0.006 0.000 0.843 95 S CB 1.997 65.202 63.200 0.008 0.000 1.122 95 S HN 1.282 nan 8.310 nan 0.000 0.468 96 L N 1.436 122.649 121.223 -0.016 0.000 2.470 96 L HA 0.869 5.209 4.340 0.000 0.000 0.268 96 L C -0.994 175.839 176.870 -0.062 0.000 0.964 96 L CA 0.114 54.949 54.840 -0.009 0.000 0.839 96 L CB 1.694 43.752 42.059 -0.000 0.000 1.276 96 L HN 1.150 nan 8.230 nan 0.000 0.403 97 S N 2.927 118.570 115.700 -0.095 0.000 2.607 97 S HA 0.910 5.380 4.470 0.000 0.000 0.273 97 S C -1.302 173.072 174.600 -0.376 0.000 1.148 97 S CA -0.827 57.211 58.200 -0.270 0.000 0.833 97 S CB 1.923 64.888 63.200 -0.392 0.000 1.130 97 S HN 0.493 nan 8.310 nan 0.000 0.470 98 V N 2.211 121.793 119.914 -0.554 0.000 2.409 98 V HA 0.456 4.576 4.120 0.000 0.000 0.290 98 V C -1.718 174.049 176.094 -0.544 0.000 1.017 98 V CA -0.512 61.433 62.300 -0.591 0.000 0.841 98 V CB 0.447 31.845 31.823 -0.708 0.000 1.003 98 V HN 0.878 nan 8.190 nan 0.000 0.426 99 Y N 2.405 122.559 120.300 -0.244 0.000 2.387 99 Y HA 0.782 5.332 4.550 0.000 0.000 0.330 99 Y C 0.655 176.456 175.900 -0.165 0.000 1.133 99 Y CA -0.544 57.455 58.100 -0.169 0.000 1.152 99 Y CB 2.197 40.576 38.460 -0.134 0.000 1.215 99 Y HN 0.701 nan 8.280 nan 0.000 0.466 100 S N -0.330 115.385 115.700 0.025 0.000 2.547 100 S HA 0.742 5.212 4.470 0.000 0.000 0.270 100 S C -0.689 173.904 174.600 -0.011 0.000 1.150 100 S CA -0.645 57.552 58.200 -0.005 0.000 0.850 100 S CB 1.538 64.713 63.200 -0.041 0.000 1.118 100 S HN 0.809 nan 8.310 nan 0.000 0.461 101 T N -0.695 113.875 114.554 0.027 0.000 2.804 101 T HA 0.552 4.902 4.350 0.000 0.000 0.272 101 T C 0.860 175.574 174.700 0.023 0.000 0.986 101 T CA -1.108 61.017 62.100 0.042 0.000 0.999 101 T CB 0.872 69.818 68.868 0.129 0.000 1.307 101 T HN 0.634 nan 8.240 nan 0.000 0.586 102 R N 0.839 121.346 120.500 0.012 0.000 2.285 102 R HA 0.039 4.379 4.340 0.000 0.000 0.213 102 R C 1.405 177.734 176.300 0.048 0.000 1.068 102 R CA 1.373 57.444 56.100 -0.047 0.000 1.004 102 R CB -0.194 29.985 30.300 -0.201 0.000 0.873 102 R HN 0.900 nan 8.270 nan 0.000 0.467 103 E N 0.631 120.902 120.200 0.120 0.000 2.753 103 E HA 0.058 4.408 4.350 0.000 0.000 0.218 103 E C -0.717 176.023 176.600 0.233 0.000 0.956 103 E CA -0.402 56.138 56.400 0.234 0.000 1.244 103 E CB 0.427 30.234 29.700 0.178 0.000 1.114 103 E HN 0.026 nan 8.360 nan 0.000 0.530 104 K N 0.700 121.203 120.400 0.172 0.000 2.525 104 K HA 0.538 4.858 4.320 0.000 0.000 0.254 104 K C -1.312 175.347 176.600 0.097 0.000 0.934 104 K CA -0.562 55.810 56.287 0.142 0.000 0.802 104 K CB 1.941 34.537 32.500 0.160 0.000 1.295 104 K HN 0.018 nan 8.250 nan 0.000 0.433 105 M N 2.372 122.015 119.600 0.071 0.000 2.259 105 M HA 0.388 4.868 4.480 0.000 0.000 0.304 105 M C -1.116 175.174 176.300 -0.017 0.000 1.019 105 M CA -0.566 54.763 55.300 0.048 0.000 0.922 105 M CB 2.799 35.497 32.600 0.164 0.000 1.600 105 M HN 0.783 nan 8.290 nan 0.000 0.433 106 T N 2.468 116.956 114.554 -0.110 0.000 2.792 106 T HA 0.525 4.875 4.350 0.000 0.000 0.280 106 T C -1.320 173.307 174.700 -0.123 0.000 0.990 106 T CA -0.430 61.512 62.100 -0.264 0.000 0.960 106 T CB 0.604 69.123 68.868 -0.582 0.000 0.939 106 T HN 0.293 nan 8.240 nan 0.000 0.439 107 Y N 2.548 122.740 120.300 -0.180 0.000 2.356 107 Y HA 0.506 5.056 4.550 0.000 0.000 0.334 107 Y C 0.689 176.557 175.900 -0.052 0.000 0.958 107 Y CA -1.166 56.889 58.100 -0.074 0.000 1.196 107 Y CB 0.622 39.059 38.460 -0.038 0.000 1.137 107 Y HN 0.856 nan 8.280 nan 0.000 0.485 108 C N 1.832 121.190 119.300 0.097 0.000 2.889 108 C HA 0.995 5.455 4.460 0.000 0.000 0.307 108 C C -0.235 174.815 174.990 0.099 0.000 1.251 108 C CA -1.311 57.769 59.018 0.103 0.000 1.593 108 C CB 0.850 28.647 27.740 0.095 0.000 2.104 108 C HN 0.717 nan 8.230 nan 0.000 0.476 109 V N -1.558 118.412 119.914 0.093 0.000 2.925 109 V HA 0.802 4.922 4.120 0.000 0.000 0.311 109 V C -0.941 175.196 176.094 0.072 0.000 1.104 109 V CA -0.310 62.037 62.300 0.078 0.000 0.954 109 V CB 1.834 33.706 31.823 0.082 0.000 1.022 109 V HN 1.053 nan 8.190 nan 0.000 0.427 110 E N 1.504 121.741 120.200 0.063 0.000 2.359 110 E HA 0.863 5.213 4.350 0.000 0.000 0.266 110 E C -1.127 175.508 176.600 0.057 0.000 0.920 110 E CA -0.302 56.132 56.400 0.058 0.000 0.788 110 E CB 2.407 32.141 29.700 0.055 0.000 1.279 110 E HN 1.359 nan 8.360 nan 0.000 0.438 111 C N -1.398 117.939 119.300 0.062 0.000 2.959 111 C HA 0.305 4.765 4.460 0.000 0.000 0.327 111 C C -1.237 173.804 174.990 0.086 0.000 1.315 111 C CA -1.188 57.881 59.018 0.085 0.000 1.216 111 C CB -0.649 27.159 27.740 0.113 0.000 1.343 111 C HN 0.739 nan 8.230 nan 0.000 0.454 112 L N 1.924 123.222 121.223 0.126 0.000 2.439 112 L HA 0.352 4.692 4.340 0.000 0.000 0.269 112 L C 1.977 178.849 176.870 0.003 0.000 1.179 112 L CA -0.269 54.611 54.840 0.067 0.000 0.828 112 L CB 0.246 42.355 42.059 0.084 0.000 1.106 112 L HN 0.841 nan 8.230 nan 0.000 0.467 113 R N 0.826 121.309 120.500 -0.029 0.000 2.140 113 R HA -0.198 4.142 4.340 0.000 0.000 0.250 113 R C 1.029 177.267 176.300 -0.105 0.000 1.150 113 R CA 1.842 57.911 56.100 -0.052 0.000 0.966 113 R CB -0.344 29.930 30.300 -0.042 0.000 0.869 113 R HN 0.686 nan 8.270 nan 0.000 0.445 114 D N -0.444 119.825 120.400 -0.218 0.000 2.392 114 D HA -0.082 4.558 4.640 0.000 0.000 0.228 114 D C 1.013 177.066 176.300 -0.412 0.000 1.003 114 D CA 0.989 54.786 54.000 -0.338 0.000 0.917 114 D CB 0.038 40.571 40.800 -0.445 0.000 0.890 114 D HN 0.460 nan 8.370 nan 0.000 0.532 115 H N -0.898 118.173 119.070 0.001 0.000 2.893 115 H HA 0.160 4.716 4.556 0.000 0.000 0.270 115 H C 2.165 177.492 175.328 -0.002 0.000 1.095 115 H CA -0.120 55.930 56.048 0.004 0.000 1.186 115 H CB 0.487 30.257 29.762 0.014 0.000 1.562 115 H HN -0.059 nan 8.280 nan 0.000 0.536 116 V N 2.425 122.376 119.914 0.062 0.000 2.250 116 V HA -0.349 3.771 4.120 0.000 0.000 0.253 116 V C 2.401 178.495 176.094 0.000 0.000 1.065 116 V CA 2.487 64.803 62.300 0.027 0.000 1.039 116 V CB -0.384 31.433 31.823 -0.010 0.000 0.647 116 V HN 0.568 nan 8.190 nan 0.000 0.446 117 D N -0.515 119.874 120.400 -0.019 0.000 2.149 117 D HA -0.200 4.440 4.640 0.000 0.000 0.198 117 D C 1.889 178.145 176.300 -0.073 0.000 0.990 117 D CA 2.032 55.995 54.000 -0.062 0.000 0.839 117 D CB -0.661 40.105 40.800 -0.056 0.000 0.948 117 D HN 0.503 nan 8.370 nan 0.000 0.460 118 T N 0.960 115.512 114.554 -0.003 0.000 2.732 118 T HA -0.046 4.304 4.350 0.000 0.000 0.261 118 T C 2.350 177.057 174.700 0.011 0.000 1.040 118 T CA 1.092 63.193 62.100 0.002 0.000 1.145 118 T CB -0.430 68.492 68.868 0.089 0.000 0.866 118 T HN 0.040 nan 8.240 nan 0.000 0.427 119 V N 1.468 121.436 119.914 0.090 0.000 2.594 119 V HA -0.129 3.991 4.120 0.000 0.000 0.253 119 V C 2.433 178.572 176.094 0.075 0.000 1.069 119 V CA 1.320 63.713 62.300 0.155 0.000 1.082 119 V CB -0.718 31.174 31.823 0.116 0.000 0.680 119 V HN 0.335 nan 8.190 nan 0.000 0.469 120 M N 0.590 120.172 119.600 -0.030 0.000 2.159 120 M HA -0.160 4.320 4.480 0.000 0.000 0.263 120 M C 2.096 178.299 176.300 -0.162 0.000 1.063 120 M CA 1.972 57.222 55.300 -0.084 0.000 1.110 120 M CB -0.617 31.907 32.600 -0.128 0.000 1.374 120 M HN 0.483 nan 8.290 nan 0.000 0.411 121 E N -1.047 118.977 120.200 -0.294 0.000 2.070 121 E HA -0.268 4.082 4.350 0.000 0.000 0.197 121 E C 1.800 178.184 176.600 -0.360 0.000 1.004 121 E CA 2.061 58.208 56.400 -0.421 0.000 0.805 121 E CB -0.412 28.914 29.700 -0.623 0.000 0.744 121 E HN 0.715 nan 8.360 nan 0.000 0.451 122 Y N -0.066 120.213 120.300 -0.035 0.000 2.263 122 Y HA -0.132 4.419 4.550 0.000 0.000 0.292 122 Y C 2.302 178.203 175.900 0.003 0.000 1.130 122 Y CA 0.578 58.671 58.100 -0.013 0.000 1.179 122 Y CB -0.276 38.176 38.460 -0.013 0.000 0.998 122 Y HN 0.179 nan 8.280 nan 0.000 0.532 123 L N 0.525 121.821 121.223 0.122 0.000 2.017 123 L HA -0.194 4.146 4.340 0.000 0.000 0.208 123 L C 2.189 179.079 176.870 0.033 0.000 1.073 123 L CA 1.459 56.354 54.840 0.091 0.000 0.745 123 L CB -1.056 41.045 42.059 0.070 0.000 0.894 123 L HN 0.375 nan 8.230 nan 0.000 0.432 124 L N -0.561 120.654 121.223 -0.013 0.000 1.989 124 L HA -0.265 4.075 4.340 0.000 0.000 0.211 124 L C 2.441 179.308 176.870 -0.004 0.000 1.071 124 L CA 1.895 56.721 54.840 -0.023 0.000 0.749 124 L CB -0.612 41.407 42.059 -0.066 0.000 0.890 124 L HN 0.421 nan 8.230 nan 0.000 0.431 125 N N -0.249 118.450 118.700 -0.002 0.000 2.043 125 N HA -0.196 4.544 4.740 0.000 0.000 0.193 125 N C 1.824 177.345 175.510 0.020 0.000 1.037 125 N CA 1.956 55.015 53.050 0.015 0.000 0.851 125 N CB -0.367 38.139 38.487 0.032 0.000 1.027 125 N HN 0.257 nan 8.380 nan 0.000 0.422 126 V N 1.230 121.177 119.914 0.055 0.000 2.282 126 V HA -0.252 3.868 4.120 0.000 0.000 0.249 126 V C 2.575 178.666 176.094 -0.004 0.000 1.057 126 V CA 2.378 64.718 62.300 0.066 0.000 1.032 126 V CB -1.195 30.724 31.823 0.160 0.000 0.645 126 V HN 0.572 nan 8.190 nan 0.000 0.447 127 T N -2.493 112.005 114.554 -0.093 0.000 2.985 127 T HA -0.109 4.241 4.350 0.000 0.000 0.266 127 T C 1.591 176.303 174.700 0.020 0.000 1.076 127 T CA 1.577 63.573 62.100 -0.172 0.000 1.135 127 T CB -0.248 68.413 68.868 -0.344 0.000 0.890 127 T HN 0.622 nan 8.240 nan 0.000 0.480 128 T N -2.033 112.522 114.554 0.001 0.000 2.975 128 T HA 0.624 4.974 4.350 0.000 0.000 0.257 128 T C 1.137 175.832 174.700 -0.009 0.000 1.003 128 T CA 0.152 62.265 62.100 0.022 0.000 0.932 128 T CB 0.190 69.074 68.868 0.027 0.000 1.087 128 T HN 0.426 nan 8.240 nan 0.000 0.512 129 A N 2.443 125.240 122.820 -0.038 0.000 2.674 129 A HA 0.547 4.868 4.320 0.000 0.000 0.286 129 A C -2.706 174.796 177.584 -0.137 0.000 0.980 129 A CA -1.111 50.889 52.037 -0.062 0.000 1.028 129 A CB 0.361 19.347 19.000 -0.023 0.000 1.199 129 A HN 0.430 nan 8.150 nan 0.000 0.499 130 P HA 0.104 nan 4.420 nan 0.000 0.269 130 P C 0.012 176.989 177.300 -0.538 0.000 1.215 130 P CA 0.396 63.180 63.100 -0.528 0.000 0.780 130 P CB 1.321 32.399 31.700 -1.036 0.000 0.898 131 E N 0.743 120.680 120.200 -0.438 0.000 2.413 131 E HA 0.136 4.486 4.350 0.000 0.000 0.203 131 E C 0.040 176.521 176.600 -0.198 0.000 0.957 131 E CA -0.253 56.029 56.400 -0.197 0.000 0.950 131 E CB -0.162 29.478 29.700 -0.100 0.000 0.957 131 E HN 0.427 nan 8.360 nan 0.000 0.497 132 F N 2.030 121.845 119.950 -0.224 0.000 2.907 132 F HA -0.292 4.235 4.527 0.000 0.000 0.244 132 F C 0.025 175.638 175.800 -0.311 0.000 1.007 132 F CA -0.248 57.560 58.000 -0.320 0.000 0.872 132 F CB -1.374 37.302 39.000 -0.539 0.000 0.767 132 F HN -0.017 nan 8.300 nan 0.000 0.837 133 R N 0.614 120.958 120.500 -0.260 0.000 2.538 133 R HA -0.048 4.292 4.340 0.000 0.000 0.282 133 R C -1.424 174.491 176.300 -0.642 0.000 1.009 133 R CA -0.974 54.728 56.100 -0.664 0.000 1.063 133 R CB -0.026 29.548 30.300 -1.211 0.000 0.945 133 R HN 0.007 nan 8.270 nan 0.000 0.414 134 P HA -0.236 nan 4.420 nan 0.000 0.215 134 P C 0.856 178.102 177.300 -0.090 0.000 1.163 134 P CA 1.591 64.586 63.100 -0.176 0.000 0.894 134 P CB -0.098 31.609 31.700 0.011 0.000 0.791 135 W N 0.644 121.955 121.300 0.019 0.000 2.354 135 W HA -0.091 4.569 4.660 0.000 0.000 0.315 135 W C 1.881 178.404 176.519 0.007 0.000 1.206 135 W CA 1.091 58.441 57.345 0.009 0.000 1.290 135 W CB -1.765 27.701 29.460 0.010 0.000 1.152 135 W HN -0.043 nan 8.180 nan 0.000 0.489 136 E N 0.801 120.868 120.200 -0.220 0.000 2.097 136 E HA -0.241 4.109 4.350 0.000 0.000 0.196 136 E C 2.211 178.770 176.600 -0.068 0.000 1.000 136 E CA 2.235 58.589 56.400 -0.077 0.000 0.804 136 E CB -0.503 29.094 29.700 -0.171 0.000 0.740 136 E HN 0.235 nan 8.360 nan 0.000 0.454 137 V N 1.017 120.852 119.914 -0.131 0.000 2.427 137 V HA -0.221 3.900 4.120 0.000 0.000 0.248 137 V C 2.266 178.308 176.094 -0.086 0.000 1.051 137 V CA 2.029 64.254 62.300 -0.125 0.000 1.048 137 V CB -0.565 31.159 31.823 -0.166 0.000 0.666 137 V HN 0.330 nan 8.190 nan 0.000 0.456 138 T N -0.482 114.050 114.554 -0.036 0.000 2.777 138 T HA -0.148 4.202 4.350 0.000 0.000 0.266 138 T C 1.594 176.291 174.700 -0.005 0.000 1.040 138 T CA 1.476 63.569 62.100 -0.012 0.000 1.141 138 T CB -0.311 68.579 68.868 0.037 0.000 0.868 138 T HN 0.482 nan 8.240 nan 0.000 0.444 139 D N 0.889 121.303 120.400 0.023 0.000 2.219 139 D HA 0.004 4.644 4.640 0.000 0.000 0.205 139 D C 1.950 178.243 176.300 -0.011 0.000 0.970 139 D CA 0.400 54.413 54.000 0.020 0.000 0.851 139 D CB -0.196 40.638 40.800 0.056 0.000 0.943 139 D HN 0.217 nan 8.370 nan 0.000 0.488 140 L N 0.991 122.194 121.223 -0.032 0.000 2.131 140 L HA -0.085 4.255 4.340 0.000 0.000 0.206 140 L C 2.143 178.961 176.870 -0.087 0.000 1.087 140 L CA 1.426 56.232 54.840 -0.057 0.000 0.767 140 L CB -0.436 41.580 42.059 -0.072 0.000 0.917 140 L HN -0.106 nan 8.230 nan 0.000 0.441 141 Q N 0.329 120.068 119.800 -0.103 0.000 2.173 141 Q HA -0.193 4.147 4.340 0.000 0.000 0.208 141 Q C -0.565 175.365 176.000 -0.117 0.000 0.989 141 Q CA 2.188 57.913 55.803 -0.130 0.000 0.872 141 Q CB -1.422 27.242 28.738 -0.124 0.000 0.909 141 Q HN 0.520 nan 8.270 nan 0.000 0.420 142 P HA -0.172 nan 4.420 nan 0.000 0.228 142 P C 0.990 178.245 177.300 -0.075 0.000 1.151 142 P CA 1.182 64.239 63.100 -0.072 0.000 0.770 142 P CB 0.106 31.778 31.700 -0.048 0.000 0.786 143 Q N 0.315 120.067 119.800 -0.079 0.000 2.224 143 Q HA -0.065 4.275 4.340 0.000 0.000 0.203 143 Q C 2.178 178.127 176.000 -0.085 0.000 0.970 143 Q CA 1.010 56.772 55.803 -0.068 0.000 0.865 143 Q CB -1.125 27.576 28.738 -0.061 0.000 0.922 143 Q HN 0.206 nan 8.270 nan 0.000 0.445 144 L N -0.042 121.088 121.223 -0.154 0.000 2.083 144 L HA -0.195 4.146 4.340 0.000 0.000 0.209 144 L C 2.429 179.240 176.870 -0.098 0.000 1.083 144 L CA 1.522 56.228 54.840 -0.222 0.000 0.752 144 L CB -0.399 41.449 42.059 -0.351 0.000 0.899 144 L HN 0.209 nan 8.230 nan 0.000 0.433 145 K N -0.208 120.133 120.400 -0.099 0.000 2.057 145 K HA -0.141 4.179 4.320 0.000 0.000 0.206 145 K C 1.977 178.534 176.600 -0.071 0.000 1.050 145 K CA 1.182 57.416 56.287 -0.089 0.000 0.935 145 K CB 0.078 32.529 32.500 -0.081 0.000 0.715 145 K HN 0.052 nan 8.250 nan 0.000 0.439 146 V N 1.148 121.032 119.914 -0.050 0.000 2.229 146 V HA -0.247 3.873 4.120 0.000 0.000 0.243 146 V C 1.906 177.990 176.094 -0.017 0.000 1.042 146 V CA 2.285 64.565 62.300 -0.033 0.000 1.000 146 V CB -0.611 31.198 31.823 -0.024 0.000 0.637 146 V HN 0.452 nan 8.190 nan 0.000 0.446 147 D N -0.009 120.400 120.400 0.016 0.000 2.157 147 D HA -0.294 4.346 4.640 0.000 0.000 0.191 147 D C 2.188 178.510 176.300 0.037 0.000 1.004 147 D CA 2.069 56.112 54.000 0.071 0.000 0.854 147 D CB -0.162 40.748 40.800 0.183 0.000 0.936 147 D HN 0.401 nan 8.370 nan 0.000 0.446 148 K N -0.592 119.820 120.400 0.020 0.000 2.148 148 K HA -0.040 4.280 4.320 0.000 0.000 0.204 148 K C 1.949 178.438 176.600 -0.185 0.000 1.050 148 K CA 1.028 57.221 56.287 -0.157 0.000 0.942 148 K CB -0.119 32.307 32.500 -0.124 0.000 0.724 148 K HN 0.165 nan 8.250 nan 0.000 0.446 149 A N 0.929 123.677 122.820 -0.119 0.000 1.898 149 A HA -0.109 4.211 4.320 0.000 0.000 0.216 149 A C 2.221 179.792 177.584 -0.021 0.000 1.181 149 A CA 1.678 53.664 52.037 -0.084 0.000 0.620 149 A CB -0.789 18.172 19.000 -0.066 0.000 0.819 149 A HN 0.296 nan 8.150 nan 0.000 0.442 150 V N -2.376 117.526 119.914 -0.021 0.000 2.379 150 V HA 0.015 4.135 4.120 0.000 0.000 0.245 150 V C 2.487 178.576 176.094 -0.009 0.000 1.044 150 V CA 1.773 64.070 62.300 -0.006 0.000 1.036 150 V CB -1.336 30.486 31.823 -0.003 0.000 0.664 150 V HN 0.506 nan 8.190 nan 0.000 0.453 151 A N 0.182 122.975 122.820 -0.045 0.000 1.883 151 A HA -0.115 4.205 4.320 0.000 0.000 0.217 151 A C 1.868 179.403 177.584 -0.081 0.000 1.186 151 A CA 2.103 54.078 52.037 -0.104 0.000 0.624 151 A CB -1.096 17.672 19.000 -0.386 0.000 0.822 151 A HN 0.594 nan 8.150 nan 0.000 0.444 152 F N 0.849 120.644 119.950 -0.259 0.000 2.805 152 F HA -0.027 4.500 4.527 0.000 0.000 0.301 152 F C 2.256 177.983 175.800 -0.122 0.000 1.196 152 F CA 0.714 58.602 58.000 -0.186 0.000 1.439 152 F CB -0.365 38.526 39.000 -0.182 0.000 1.117 152 F HN 0.391 nan 8.300 nan 0.000 0.581 153 Q N -0.845 118.972 119.800 0.029 0.000 2.369 153 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 153 Q C 0.403 176.389 176.000 -0.022 0.000 0.963 153 Q CA 0.578 56.390 55.803 0.015 0.000 0.894 153 Q CB -0.054 28.694 28.738 0.016 0.000 0.965 153 Q HN 0.176 nan 8.270 nan 0.000 0.475 154 S N 1.989 117.647 115.700 -0.070 0.000 2.410 154 S HA 0.169 4.639 4.470 0.000 0.000 0.304 154 S C -2.009 172.483 174.600 -0.181 0.000 1.095 154 S CA -1.188 56.960 58.200 -0.087 0.000 1.089 154 S CB 1.334 64.492 63.200 -0.070 0.000 0.968 154 S HN 0.011 nan 8.310 nan 0.000 0.480 155 P HA -0.231 nan 4.420 nan 0.000 0.216 155 P C 1.746 178.857 177.300 -0.315 0.000 1.150 155 P CA 0.851 63.686 63.100 -0.441 0.000 0.843 155 P CB 0.121 31.307 31.700 -0.856 0.000 0.787 156 Q N -0.075 119.649 119.800 -0.126 0.000 2.142 156 Q HA -0.253 4.087 4.340 0.000 0.000 0.213 156 Q C 1.970 177.957 176.000 -0.022 0.000 1.004 156 Q CA 2.241 58.092 55.803 0.080 0.000 0.883 156 Q CB -0.889 27.863 28.738 0.023 0.000 0.939 156 Q HN 0.138 nan 8.270 nan 0.000 0.413 157 V N 0.192 119.998 119.914 -0.181 0.000 2.453 157 V HA -0.097 4.023 4.120 0.000 0.000 0.247 157 V C 2.143 177.966 176.094 -0.451 0.000 1.048 157 V CA 2.173 64.294 62.300 -0.299 0.000 1.049 157 V CB -0.690 30.867 31.823 -0.443 0.000 0.672 157 V HN 0.595 nan 8.190 nan 0.000 0.457 158 G N 0.044 108.518 108.800 -0.543 0.000 2.446 158 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 158 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 158 G C 1.740 176.549 174.900 -0.152 0.000 1.168 158 G CA 1.684 46.540 45.100 -0.407 0.000 0.771 158 G HN 0.762 nan 8.290 nan 0.000 0.551 159 V N -0.708 119.141 119.914 -0.109 0.000 2.427 159 V HA 0.019 4.139 4.120 0.000 0.000 0.248 159 V C 2.661 178.742 176.094 -0.021 0.000 1.051 159 V CA 1.333 63.593 62.300 -0.066 0.000 1.048 159 V CB -0.539 31.231 31.823 -0.090 0.000 0.666 159 V HN 0.316 nan 8.190 nan 0.000 0.456 160 L N -0.351 120.887 121.223 0.025 0.000 2.083 160 L HA -0.077 4.263 4.340 0.000 0.000 0.209 160 L C 3.098 180.046 176.870 0.131 0.000 1.083 160 L CA 1.804 56.709 54.840 0.107 0.000 0.752 160 L CB -0.764 41.375 42.059 0.133 0.000 0.899 160 L HN 0.367 nan 8.230 nan 0.000 0.433 161 E N 0.452 120.675 120.200 0.038 0.000 2.023 161 E HA -0.200 4.151 4.350 0.000 0.000 0.196 161 E C 1.899 178.572 176.600 0.122 0.000 1.003 161 E CA 1.154 57.597 56.400 0.072 0.000 0.809 161 E CB -0.394 29.379 29.700 0.121 0.000 0.755 161 E HN 0.522 nan 8.360 nan 0.000 0.449 162 N N 0.956 119.708 118.700 0.087 0.000 2.289 162 N HA -0.143 4.597 4.740 0.000 0.000 0.184 162 N C 2.001 177.550 175.510 0.065 0.000 1.016 162 N CA 0.436 53.532 53.050 0.076 0.000 0.872 162 N CB -0.250 38.253 38.487 0.027 0.000 0.973 162 N HN 0.071 nan 8.380 nan 0.000 0.433 163 L N 1.274 122.536 121.223 0.066 0.000 1.961 163 L HA -0.153 4.187 4.340 0.000 0.000 0.210 163 L C 1.872 178.810 176.870 0.113 0.000 1.072 163 L CA 1.912 56.765 54.840 0.022 0.000 0.749 163 L CB -0.935 41.115 42.059 -0.016 0.000 0.889 163 L HN 0.124 nan 8.230 nan 0.000 0.432 164 H N -0.641 118.489 119.070 0.100 0.000 2.460 164 H HA -0.063 4.493 4.556 0.000 0.000 0.297 164 H C 2.028 177.466 175.328 0.183 0.000 1.103 164 H CA 1.334 57.480 56.048 0.164 0.000 1.292 164 H CB -0.418 29.384 29.762 0.066 0.000 1.376 164 H HN 0.512 nan 8.280 nan 0.000 0.531 165 A N -0.152 122.821 122.820 0.254 0.000 2.123 165 A HA 0.258 4.578 4.320 0.000 0.000 0.214 165 A C 2.284 180.049 177.584 0.302 0.000 1.152 165 A CA 0.978 53.167 52.037 0.253 0.000 0.728 165 A CB -0.276 18.848 19.000 0.207 0.000 0.814 165 A HN 0.437 nan 8.150 nan 0.000 0.464 166 A N -0.842 122.043 122.820 0.109 0.000 2.063 166 A HA 0.536 4.856 4.320 0.000 0.000 0.211 166 A C 2.187 179.590 177.584 -0.302 0.000 1.177 166 A CA 1.071 52.998 52.037 -0.183 0.000 0.759 166 A CB -0.445 18.377 19.000 -0.296 0.000 0.857 166 A HN 0.796 nan 8.150 nan 0.000 0.468 167 A N -1.486 121.231 122.820 -0.173 0.000 2.067 167 A HA 0.398 4.718 4.320 0.000 0.000 0.217 167 A C 0.568 177.724 177.584 -0.714 0.000 1.156 167 A CA 0.640 52.360 52.037 -0.528 0.000 0.683 167 A CB -0.198 18.621 19.000 -0.300 0.000 0.808 167 A HN 0.450 nan 8.150 nan 0.000 0.455 168 Y N -2.117 118.124 120.300 -0.098 0.000 2.662 168 Y HA 0.500 5.050 4.550 0.000 0.000 0.335 168 Y C 0.932 176.927 175.900 0.159 0.000 1.066 168 Y CA -1.036 57.067 58.100 0.004 0.000 1.116 168 Y CB 1.516 39.978 38.460 0.003 0.000 1.308 168 Y HN -0.139 nan 8.280 nan 0.000 0.502 169 K N -0.329 120.217 120.400 0.244 0.000 2.391 169 K HA 0.247 4.567 4.320 0.000 0.000 0.197 169 K C -0.363 176.272 176.600 0.058 0.000 1.087 169 K CA 0.681 57.005 56.287 0.062 0.000 1.012 169 K CB 0.813 33.299 32.500 -0.023 0.000 0.925 169 K HN 0.848 nan 8.250 nan 0.000 0.547 170 T N -3.961 110.664 114.554 0.117 0.000 2.648 170 T HA 0.586 4.936 4.350 0.000 0.000 0.304 170 T C 0.682 175.390 174.700 0.015 0.000 1.312 170 T CA -0.407 61.726 62.100 0.055 0.000 1.023 170 T CB 1.228 70.115 68.868 0.033 0.000 1.612 170 T HN -0.042 nan 8.240 nan 0.000 0.487 171 A N 0.513 123.312 122.820 -0.036 0.000 2.821 171 A HA -0.278 4.042 4.320 0.000 0.000 0.370 171 A C 1.873 179.350 177.584 -0.178 0.000 1.684 171 A CA 2.711 54.679 52.037 -0.114 0.000 0.999 171 A CB -2.295 16.617 19.000 -0.146 0.000 1.490 171 A HN 1.068 nan 8.150 nan 0.000 0.672 172 L N -0.720 120.309 121.223 -0.324 0.000 2.201 172 L HA -0.022 4.318 4.340 0.000 0.000 0.212 172 L C 3.005 179.703 176.870 -0.287 0.000 1.105 172 L CA 1.163 55.699 54.840 -0.507 0.000 0.775 172 L CB -0.593 40.799 42.059 -1.112 0.000 0.913 172 L HN 0.751 nan 8.230 nan 0.000 0.440 173 A N -0.417 122.323 122.820 -0.134 0.000 2.070 173 A HA -0.121 4.199 4.320 0.000 0.000 0.220 173 A C 0.904 178.520 177.584 0.055 0.000 1.159 173 A CA 0.754 52.834 52.037 0.072 0.000 0.656 173 A CB -0.631 18.464 19.000 0.160 0.000 0.800 173 A HN 0.373 nan 8.150 nan 0.000 0.453 174 N N 1.257 119.954 118.700 -0.005 0.000 2.468 174 N HA 0.195 4.935 4.740 0.000 0.000 0.265 174 N C -2.579 172.921 175.510 -0.016 0.000 1.199 174 N CA -1.411 51.641 53.050 0.004 0.000 0.928 174 N CB 0.359 38.843 38.487 -0.005 0.000 1.059 174 N HN 0.317 nan 8.380 nan 0.000 0.467 175 P HA -0.056 nan 4.420 nan 0.000 0.269 175 P C 0.658 177.929 177.300 -0.047 0.000 1.215 175 P CA -0.360 62.753 63.100 0.022 0.000 0.780 175 P CB 0.930 32.686 31.700 0.094 0.000 0.898 176 L N 2.000 123.159 121.223 -0.107 0.000 2.509 176 L HA 0.194 4.534 4.340 0.000 0.000 0.222 176 L C 0.062 176.610 176.870 -0.537 0.000 1.123 176 L CA 0.559 55.208 54.840 -0.320 0.000 0.856 176 L CB -0.768 41.037 42.059 -0.423 0.000 0.985 176 L HN 0.252 nan 8.230 nan 0.000 0.456 177 Y N -1.503 118.765 120.300 -0.053 0.000 2.350 177 Y HA 0.292 4.843 4.550 0.000 0.000 0.338 177 Y C 0.411 176.393 175.900 0.137 0.000 0.961 177 Y CA -0.963 57.108 58.100 -0.048 0.000 1.100 177 Y CB 1.049 39.549 38.460 0.067 0.000 1.179 177 Y HN -0.190 nan 8.280 nan 0.000 0.454 178 C N 7.927 127.554 119.300 0.544 0.000 2.298 178 C HA 0.019 4.479 4.460 0.000 0.000 0.395 178 C C -1.713 173.288 174.990 0.018 0.000 1.526 178 C CA -1.224 57.883 59.018 0.148 0.000 1.458 178 C CB -0.735 26.980 27.740 -0.041 0.000 2.506 178 C HN 0.511 nan 8.230 nan 0.000 0.604 179 P HA 0.119 nan 4.420 nan 0.000 0.269 179 P C 0.434 177.616 177.300 -0.196 0.000 1.215 179 P CA 0.253 63.281 63.100 -0.120 0.000 0.780 179 P CB 0.607 32.219 31.700 -0.147 0.000 0.898 180 D N 1.180 121.514 120.400 -0.111 0.000 2.108 180 D HA -0.229 4.411 4.640 0.000 0.000 0.190 180 D C 1.837 178.090 176.300 -0.078 0.000 0.995 180 D CA 1.901 55.848 54.000 -0.089 0.000 0.834 180 D CB -1.468 39.308 40.800 -0.039 0.000 0.967 180 D HN 0.608 nan 8.370 nan 0.000 0.446 181 Y N 0.645 120.922 120.300 -0.038 0.000 2.348 181 Y HA -0.134 4.416 4.550 0.000 0.000 0.285 181 Y C 1.763 177.641 175.900 -0.036 0.000 1.173 181 Y CA 1.241 59.321 58.100 -0.033 0.000 1.263 181 Y CB -0.479 37.968 38.460 -0.023 0.000 0.974 181 Y HN -0.118 nan 8.280 nan 0.000 0.547 182 R N 0.460 120.607 120.500 -0.587 0.000 2.300 182 R HA 0.184 4.524 4.340 0.000 0.000 0.199 182 R C 0.035 176.192 176.300 -0.238 0.000 0.920 182 R CA -0.191 55.642 56.100 -0.445 0.000 1.046 182 R CB 0.211 30.135 30.300 -0.627 0.000 0.984 182 R HN 0.239 nan 8.270 nan 0.000 0.493 183 I N 1.245 121.699 120.570 -0.193 0.000 2.668 183 I HA -0.048 4.122 4.170 0.000 0.000 0.285 183 I C 1.449 177.498 176.117 -0.114 0.000 1.168 183 I CA 1.257 62.463 61.300 -0.156 0.000 1.424 183 I CB 0.094 38.015 38.000 -0.131 0.000 1.377 183 I HN 0.508 nan 8.210 nan 0.000 0.560 184 G N 6.024 114.754 108.800 -0.118 0.000 2.225 184 G HA2 -0.308 3.652 3.960 0.000 0.000 0.254 184 G HA3 -0.308 3.652 3.960 0.000 0.000 0.254 184 G C 1.022 175.877 174.900 -0.075 0.000 0.988 184 G CA 0.164 45.212 45.100 -0.086 0.000 0.625 184 G HN 0.608 nan 8.290 nan 0.000 0.527 185 K N -0.193 120.156 120.400 -0.085 0.000 2.353 185 K HA 0.404 4.724 4.320 0.000 0.000 0.195 185 K C 1.134 177.683 176.600 -0.084 0.000 1.031 185 K CA -0.259 55.990 56.287 -0.063 0.000 1.079 185 K CB 0.507 32.988 32.500 -0.031 0.000 0.857 185 K HN 0.473 nan 8.250 nan 0.000 0.535 186 I N 2.052 122.546 120.570 -0.125 0.000 2.836 186 I HA -0.051 4.119 4.170 0.000 0.000 0.285 186 I C 0.865 176.898 176.117 -0.140 0.000 1.174 186 I CA 0.193 61.404 61.300 -0.149 0.000 1.405 186 I CB 0.827 38.705 38.000 -0.203 0.000 1.385 186 I HN 0.100 nan 8.210 nan 0.000 0.594 187 T N 0.045 114.512 114.554 -0.145 0.000 2.930 187 T HA 0.268 4.619 4.350 0.000 0.000 0.290 187 T C 0.648 175.248 174.700 -0.168 0.000 1.052 187 T CA -0.762 61.260 62.100 -0.130 0.000 1.017 187 T CB 1.740 70.550 68.868 -0.096 0.000 1.137 187 T HN 0.457 nan 8.240 nan 0.000 0.511 188 S N 0.424 116.051 115.700 -0.122 0.000 2.419 188 S HA -0.078 4.392 4.470 0.000 0.000 0.233 188 S C 1.708 176.304 174.600 -0.008 0.000 1.016 188 S CA 1.363 59.508 58.200 -0.093 0.000 0.974 188 S CB -0.485 62.721 63.200 0.011 0.000 0.786 188 S HN 0.814 nan 8.310 nan 0.000 0.492 189 E N 1.740 121.901 120.200 -0.064 0.000 2.001 189 E HA -0.153 4.197 4.350 0.000 0.000 0.195 189 E C 2.287 178.703 176.600 -0.306 0.000 1.002 189 E CA 1.283 57.550 56.400 -0.221 0.000 0.819 189 E CB -0.422 29.093 29.700 -0.309 0.000 0.769 189 E HN 0.498 nan 8.360 nan 0.000 0.454 190 Q N 0.057 119.717 119.800 -0.233 0.000 2.173 190 Q HA -0.222 4.118 4.340 0.000 0.000 0.208 190 Q C 2.330 178.305 176.000 -0.043 0.000 0.989 190 Q CA 1.376 57.111 55.803 -0.113 0.000 0.872 190 Q CB -0.360 28.318 28.738 -0.100 0.000 0.909 190 Q HN 0.283 nan 8.270 nan 0.000 0.420 191 L N -0.938 120.176 121.223 -0.182 0.000 2.005 191 L HA -0.200 4.141 4.340 0.000 0.000 0.207 191 L C 2.230 179.155 176.870 0.093 0.000 1.072 191 L CA 1.461 56.106 54.840 -0.325 0.000 0.744 191 L CB -0.498 40.900 42.059 -1.101 0.000 0.895 191 L HN 0.287 nan 8.230 nan 0.000 0.433 192 H N -1.507 117.727 119.070 0.274 0.000 2.290 192 H HA -0.188 4.368 4.556 0.000 0.000 0.298 192 H C 2.437 177.940 175.328 0.293 0.000 1.087 192 H CA 1.788 58.034 56.048 0.331 0.000 1.291 192 H CB 0.068 29.986 29.762 0.261 0.000 1.369 192 H HN 0.294 nan 8.280 nan 0.000 0.492 193 H N -0.879 118.322 119.070 0.218 0.000 2.352 193 H HA -0.148 4.408 4.556 0.000 0.000 0.299 193 H C 2.004 177.380 175.328 0.079 0.000 1.097 193 H CA 1.394 57.512 56.048 0.115 0.000 1.311 193 H CB -0.726 29.093 29.762 0.096 0.000 1.377 193 H HN 0.331 nan 8.280 nan 0.000 0.504 194 F N 0.460 120.469 119.950 0.098 0.000 2.134 194 F HA -0.171 4.356 4.527 0.000 0.000 0.299 194 F C 2.240 177.965 175.800 -0.126 0.000 1.097 194 F CA 0.821 58.812 58.000 -0.014 0.000 1.264 194 F CB -0.242 38.716 39.000 -0.069 0.000 1.001 194 F HN -0.081 nan 8.300 nan 0.000 0.479 195 V N 0.278 120.195 119.914 0.005 0.000 2.379 195 V HA -0.288 3.832 4.120 0.000 0.000 0.245 195 V C 2.143 178.137 176.094 -0.167 0.000 1.044 195 V CA 2.119 64.217 62.300 -0.338 0.000 1.036 195 V CB -0.736 30.942 31.823 -0.242 0.000 0.664 195 V HN 0.377 nan 8.190 nan 0.000 0.453 196 Q N 0.224 120.009 119.800 -0.024 0.000 2.167 196 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 196 Q C 1.538 177.509 176.000 -0.049 0.000 0.970 196 Q CA 1.295 57.090 55.803 -0.013 0.000 0.855 196 Q CB -0.197 28.544 28.738 0.006 0.000 0.911 196 Q HN 0.621 nan 8.270 nan 0.000 0.438 197 N N -0.204 118.437 118.700 -0.098 0.000 2.280 197 N HA 0.062 4.802 4.740 0.000 0.000 0.192 197 N C 0.453 175.862 175.510 -0.170 0.000 1.109 197 N CA 0.328 53.305 53.050 -0.121 0.000 0.855 197 N CB 0.450 38.862 38.487 -0.125 0.000 0.974 197 N HN 0.300 nan 8.380 nan 0.000 0.482 198 N N -0.444 118.148 118.700 -0.180 0.000 2.324 198 N HA 0.078 4.818 4.740 0.000 0.000 0.235 198 N C -0.544 175.064 175.510 0.163 0.000 1.162 198 N CA -0.010 52.950 53.050 -0.150 0.000 0.834 198 N CB 0.367 38.581 38.487 -0.455 0.000 1.354 198 N HN -0.038 nan 8.380 nan 0.000 0.471 199 F N 3.401 123.281 119.950 -0.117 0.000 2.640 199 F HA 0.225 4.752 4.527 0.000 0.000 0.354 199 F C 0.818 176.588 175.800 -0.050 0.000 1.213 199 F CA -0.629 57.333 58.000 -0.063 0.000 1.314 199 F CB -0.868 38.109 39.000 -0.038 0.000 1.679 199 F HN -0.191 nan 8.300 nan 0.000 0.622 200 T N -3.350 111.264 114.554 0.099 0.000 2.823 200 T HA 0.281 4.631 4.350 0.000 0.000 0.279 200 T C 1.248 175.963 174.700 0.026 0.000 0.998 200 T CA -0.234 61.895 62.100 0.049 0.000 0.994 200 T CB 1.722 70.606 68.868 0.026 0.000 0.960 200 T HN 0.293 nan 8.240 nan 0.000 0.448 201 S N 2.151 117.864 115.700 0.022 0.000 2.434 201 S HA -0.242 4.228 4.470 0.000 0.000 0.243 201 S C 2.050 176.659 174.600 0.015 0.000 1.045 201 S CA 1.054 59.263 58.200 0.016 0.000 1.019 201 S CB -0.978 62.231 63.200 0.015 0.000 0.811 201 S HN 1.150 nan 8.310 nan 0.000 0.485 202 A N 0.942 123.773 122.820 0.017 0.000 2.251 202 A HA 0.306 4.626 4.320 0.000 0.000 0.209 202 A C 2.096 179.695 177.584 0.024 0.000 1.187 202 A CA 0.162 52.211 52.037 0.021 0.000 0.823 202 A CB -0.141 18.872 19.000 0.022 0.000 0.846 202 A HN 0.616 nan 8.150 nan 0.000 0.486 203 R N -1.609 118.901 120.500 0.017 0.000 2.476 203 R HA 0.395 4.735 4.340 0.000 0.000 0.276 203 R C -0.385 175.917 176.300 0.003 0.000 0.941 203 R CA 0.004 56.113 56.100 0.015 0.000 1.088 203 R CB 0.397 30.696 30.300 -0.001 0.000 1.216 203 R HN 0.403 nan 8.270 nan 0.000 0.533 204 M N 0.344 119.943 119.600 -0.001 0.000 2.508 204 M HA 0.550 5.030 4.480 0.000 0.000 0.327 204 M C -0.891 175.424 176.300 0.026 0.000 1.160 204 M CA -0.750 54.547 55.300 -0.004 0.000 0.980 204 M CB 2.439 35.014 32.600 -0.041 0.000 1.693 204 M HN -0.055 nan 8.290 nan 0.000 0.452 205 A N 2.357 125.213 122.820 0.061 0.000 2.374 205 A HA 0.750 5.070 4.320 0.000 0.000 0.305 205 A C -1.566 176.071 177.584 0.089 0.000 1.053 205 A CA -0.611 51.453 52.037 0.046 0.000 0.726 205 A CB 1.223 20.221 19.000 -0.005 0.000 1.229 205 A HN 0.776 nan 8.150 nan 0.000 0.431 206 L N 4.365 125.615 121.223 0.045 0.000 2.417 206 L HA 0.493 4.833 4.340 0.000 0.000 0.258 206 L C -0.470 176.418 176.870 0.030 0.000 1.088 206 L CA -0.088 54.787 54.840 0.058 0.000 0.975 206 L CB 0.202 42.272 42.059 0.017 0.000 1.341 206 L HN 0.452 nan 8.230 nan 0.000 0.431 207 V N 2.108 122.058 119.914 0.061 0.000 3.264 207 V HA 0.798 4.919 4.120 0.000 0.000 0.304 207 V C 0.899 177.025 176.094 0.054 0.000 1.086 207 V CA -0.031 62.266 62.300 -0.005 0.000 1.090 207 V CB 1.174 32.909 31.823 -0.146 0.000 1.112 207 V HN 0.823 nan 8.190 nan 0.000 0.472 208 G N 1.925 110.737 108.800 0.021 0.000 2.287 208 G HA2 0.416 4.376 3.960 0.000 0.000 0.303 208 G HA3 0.416 4.376 3.960 0.000 0.000 0.303 208 G C -1.076 173.823 174.900 -0.002 0.000 2.212 208 G CA -0.664 44.449 45.100 0.021 0.000 0.928 208 G HN 0.513 nan 8.290 nan 0.000 0.440 209 I N 1.158 121.734 120.570 0.010 0.000 2.720 209 I HA 0.439 4.609 4.170 0.000 0.000 0.287 209 I C 1.527 177.627 176.117 -0.029 0.000 1.090 209 I CA 0.922 62.215 61.300 -0.012 0.000 1.384 209 I CB 1.393 39.395 38.000 0.003 0.000 1.420 209 I HN 0.985 nan 8.210 nan 0.000 0.575 210 G N 4.004 112.767 108.800 -0.062 0.000 2.147 210 G HA2 -0.146 3.814 3.960 0.000 0.000 0.244 210 G HA3 -0.146 3.814 3.960 0.000 0.000 0.244 210 G C -0.203 174.632 174.900 -0.109 0.000 1.005 210 G CA 0.200 45.248 45.100 -0.086 0.000 0.713 210 G HN 0.861 nan 8.290 nan 0.000 0.515 211 V N -4.270 115.575 119.914 -0.115 0.000 3.159 211 V HA 0.828 4.948 4.120 0.000 0.000 0.308 211 V C 0.016 176.042 176.094 -0.113 0.000 1.190 211 V CA -1.345 60.890 62.300 -0.109 0.000 1.037 211 V CB 1.926 33.705 31.823 -0.074 0.000 1.060 211 V HN 0.431 nan 8.190 nan 0.000 0.437 212 K N 0.286 120.629 120.400 -0.095 0.000 2.234 212 K HA 0.304 4.624 4.320 0.000 0.000 0.282 212 K C 0.911 177.502 176.600 -0.015 0.000 1.039 212 K CA -0.223 56.030 56.287 -0.057 0.000 0.928 212 K CB 0.713 33.186 32.500 -0.045 0.000 1.039 212 K HN 0.969 nan 8.250 nan 0.000 0.470 213 H N 2.062 121.098 119.070 -0.057 0.000 2.390 213 H HA -0.203 4.353 4.556 0.000 0.000 0.298 213 H C 1.873 177.187 175.328 -0.024 0.000 1.106 213 H CA 2.806 58.831 56.048 -0.039 0.000 1.297 213 H CB 0.289 30.029 29.762 -0.036 0.000 1.375 213 H HN 0.782 nan 8.280 nan 0.000 0.509 214 S N -0.309 115.435 115.700 0.073 0.000 2.368 214 S HA -0.194 4.276 4.470 0.000 0.000 0.225 214 S C 1.834 176.421 174.600 -0.023 0.000 1.030 214 S CA 1.422 59.644 58.200 0.037 0.000 0.999 214 S CB -0.182 63.042 63.200 0.041 0.000 0.844 214 S HN 0.479 nan 8.310 nan 0.000 0.459 215 D N 1.622 122.001 120.400 -0.035 0.000 2.084 215 D HA -0.052 4.588 4.640 0.000 0.000 0.194 215 D C 1.982 178.239 176.300 -0.072 0.000 0.990 215 D CA 1.156 55.130 54.000 -0.044 0.000 0.826 215 D CB -0.535 40.238 40.800 -0.045 0.000 0.971 215 D HN 0.370 nan 8.370 nan 0.000 0.453 216 L N 1.323 122.475 121.223 -0.119 0.000 2.191 216 L HA -0.134 4.206 4.340 0.000 0.000 0.212 216 L C 2.039 178.817 176.870 -0.153 0.000 1.103 216 L CA 1.653 56.407 54.840 -0.143 0.000 0.769 216 L CB -0.381 41.563 42.059 -0.191 0.000 0.908 216 L HN -0.115 nan 8.230 nan 0.000 0.438 217 K N -0.983 119.304 120.400 -0.188 0.000 2.076 217 K HA -0.204 4.116 4.320 0.000 0.000 0.204 217 K C 2.167 178.749 176.600 -0.030 0.000 1.051 217 K CA 1.272 57.484 56.287 -0.126 0.000 0.949 217 K CB -0.189 32.246 32.500 -0.109 0.000 0.726 217 K HN 0.509 nan 8.250 nan 0.000 0.443 218 Q N 0.604 120.398 119.800 -0.009 0.000 2.234 218 Q HA -0.136 4.205 4.340 0.000 0.000 0.206 218 Q C 1.708 177.762 176.000 0.090 0.000 0.980 218 Q CA 1.376 57.202 55.803 0.037 0.000 0.869 218 Q CB 0.140 28.901 28.738 0.037 0.000 0.912 218 Q HN 0.200 nan 8.270 nan 0.000 0.436 219 V N 0.872 120.819 119.914 0.055 0.000 2.239 219 V HA -0.223 3.897 4.120 0.000 0.000 0.242 219 V C 2.423 178.598 176.094 0.136 0.000 1.038 219 V CA 1.717 64.067 62.300 0.084 0.000 1.002 219 V CB -1.287 30.515 31.823 -0.036 0.000 0.641 219 V HN 0.531 nan 8.190 nan 0.000 0.449 220 A N -0.609 122.242 122.820 0.050 0.000 2.009 220 A HA -0.303 4.017 4.320 0.000 0.000 0.222 220 A C 2.052 179.674 177.584 0.064 0.000 1.175 220 A CA 2.335 54.399 52.037 0.045 0.000 0.651 220 A CB -0.470 18.531 19.000 0.003 0.000 0.815 220 A HN 0.705 nan 8.150 nan 0.000 0.459 221 E N -1.290 118.948 120.200 0.065 0.000 2.013 221 E HA -0.169 4.181 4.350 0.000 0.000 0.196 221 E C 2.131 178.741 176.600 0.017 0.000 0.964 221 E CA 0.772 57.194 56.400 0.037 0.000 0.854 221 E CB -0.335 29.379 29.700 0.024 0.000 0.816 221 E HN 0.696 nan 8.360 nan 0.000 0.489 222 Q N -0.409 119.388 119.800 -0.005 0.000 2.458 222 Q HA -0.202 4.138 4.340 0.000 0.000 0.215 222 Q C 1.089 176.789 176.000 -0.500 0.000 0.989 222 Q CA 1.400 57.065 55.803 -0.231 0.000 0.895 222 Q CB 0.058 28.621 28.738 -0.291 0.000 0.934 222 Q HN 0.219 nan 8.270 nan 0.000 0.475 223 F N -1.053 118.883 119.950 -0.024 0.000 2.619 223 F HA 0.222 4.750 4.527 0.000 0.000 0.281 223 F C 0.381 176.166 175.800 -0.024 0.000 1.065 223 F CA -0.418 57.566 58.000 -0.027 0.000 1.304 223 F CB 0.404 39.384 39.000 -0.033 0.000 1.059 223 F HN -0.154 nan 8.300 nan 0.000 0.648 224 L N 2.343 123.654 121.223 0.147 0.000 2.623 224 L HA -0.008 4.332 4.340 0.000 0.000 0.281 224 L C 0.722 177.613 176.870 0.035 0.000 1.150 224 L CA -0.036 54.849 54.840 0.076 0.000 0.965 224 L CB -0.259 41.832 42.059 0.052 0.000 1.303 224 L HN 0.193 nan 8.230 nan 0.000 0.467 225 N N 3.201 121.918 118.700 0.028 0.000 2.085 225 N HA 0.006 4.746 4.740 0.000 0.000 0.191 225 N C 0.765 176.279 175.510 0.007 0.000 1.058 225 N CA 0.536 53.589 53.050 0.004 0.000 0.849 225 N CB 0.015 38.501 38.487 -0.002 0.000 1.038 225 N HN 0.423 nan 8.380 nan 0.000 0.434 226 I N 3.272 123.851 120.570 0.015 0.000 3.683 226 I HA -0.229 3.941 4.170 0.000 0.000 0.302 226 I C 1.046 177.174 176.117 0.019 0.000 1.225 226 I CA 0.235 61.546 61.300 0.019 0.000 1.536 226 I CB -0.717 37.307 38.000 0.041 0.000 1.561 226 I HN 0.327 nan 8.210 nan 0.000 0.666 227 R N 4.400 124.905 120.500 0.008 0.000 2.896 227 R HA 0.256 4.596 4.340 0.000 0.000 0.258 227 R C 0.736 177.041 176.300 0.009 0.000 1.240 227 R CA -0.320 55.784 56.100 0.006 0.000 1.109 227 R CB -0.120 30.179 30.300 -0.001 0.000 1.081 227 R HN 0.497 nan 8.270 nan 0.000 0.562 228 S N -1.544 114.160 115.700 0.007 0.000 2.511 228 S HA 0.249 4.719 4.470 0.000 0.000 0.279 228 S C 0.711 175.316 174.600 0.008 0.000 1.330 228 S CA -0.051 58.154 58.200 0.008 0.000 1.017 228 S CB -0.430 62.773 63.200 0.005 0.000 0.800 228 S HN 1.195 nan 8.310 nan 0.000 0.498 229 G N -0.675 108.130 108.800 0.009 0.000 2.351 229 G HA2 0.588 4.548 3.960 0.000 0.000 0.353 229 G HA3 0.588 4.548 3.960 0.000 0.000 0.353 229 G C -0.262 174.646 174.900 0.013 0.000 1.358 229 G CA -0.235 44.870 45.100 0.008 0.000 0.995 229 G HN 1.792 nan 8.290 nan 0.000 0.611 230 A N -1.077 121.751 122.820 0.014 0.000 2.710 230 A HA 0.773 5.093 4.320 0.000 0.000 0.212 230 A C 1.962 179.558 177.584 0.019 0.000 1.358 230 A CA 1.660 53.711 52.037 0.023 0.000 1.048 230 A CB -0.240 18.779 19.000 0.032 0.000 1.345 230 A HN 2.856 nan 8.150 nan 0.000 0.583 231 G N 0.420 109.223 108.800 0.005 0.000 2.530 231 G HA2 -0.264 3.696 3.960 0.000 0.000 0.405 231 G HA3 -0.264 3.696 3.960 0.000 0.000 0.405 231 G C 0.438 175.347 174.900 0.015 0.000 1.363 231 G CA 0.389 45.484 45.100 -0.007 0.000 0.927 231 G HN 0.950 nan 8.290 nan 0.000 0.525 232 T N 0.865 115.421 114.554 0.004 0.000 2.867 232 T HA 0.338 4.688 4.350 0.000 0.000 0.290 232 T C 0.587 175.374 174.700 0.145 0.000 1.025 232 T CA 1.108 63.241 62.100 0.055 0.000 1.146 232 T CB 0.047 68.940 68.868 0.041 0.000 1.024 232 T HN 0.772 nan 8.240 nan 0.000 0.519 233 S N 2.654 118.426 115.700 0.120 0.000 2.451 233 S HA 0.425 4.895 4.470 0.000 0.000 0.301 233 S C 0.274 174.899 174.600 0.041 0.000 1.116 233 S CA -0.770 57.502 58.200 0.120 0.000 1.093 233 S CB 1.647 64.886 63.200 0.066 0.000 1.017 233 S HN 0.757 nan 8.310 nan 0.000 0.482 234 S N 2.580 118.215 115.700 -0.108 0.000 2.562 234 S HA 0.477 4.947 4.470 0.000 0.000 0.281 234 S C 0.512 175.025 174.600 -0.145 0.000 1.333 234 S CA -0.666 57.341 58.200 -0.322 0.000 1.052 234 S CB 0.201 62.935 63.200 -0.776 0.000 0.884 234 S HN 0.869 nan 8.310 nan 0.000 0.506 235 A N 5.435 128.192 122.820 -0.104 0.000 2.425 235 A HA 0.319 4.640 4.320 0.000 0.000 0.242 235 A C 0.547 178.108 177.584 -0.038 0.000 1.077 235 A CA -0.297 51.713 52.037 -0.044 0.000 0.781 235 A CB 0.121 19.108 19.000 -0.022 0.000 1.020 235 A HN 0.837 nan 8.150 nan 0.000 0.494 236 K N 0.400 120.801 120.400 0.001 0.000 2.494 236 K HA 0.150 4.471 4.320 0.000 0.000 0.273 236 K C 0.428 177.063 176.600 0.059 0.000 0.970 236 K CA 0.680 56.986 56.287 0.031 0.000 0.963 236 K CB 0.399 32.928 32.500 0.048 0.000 0.913 236 K HN 0.746 nan 8.250 nan 0.000 0.502 237 A N 3.418 126.301 122.820 0.106 0.000 2.666 237 A HA 0.171 4.491 4.320 0.000 0.000 0.312 237 A C 0.078 177.826 177.584 0.274 0.000 1.471 237 A CA -0.258 51.906 52.037 0.213 0.000 1.134 237 A CB -0.388 18.779 19.000 0.278 0.000 1.129 237 A HN 0.550 nan 8.150 nan 0.000 0.539 238 T N 1.774 116.461 114.554 0.220 0.000 2.918 238 T HA 0.232 4.582 4.350 0.000 0.000 0.302 238 T C -0.376 174.429 174.700 0.175 0.000 1.045 238 T CA 0.662 62.867 62.100 0.176 0.000 1.114 238 T CB 0.268 69.208 68.868 0.119 0.000 0.965 238 T HN 0.474 nan 8.240 nan 0.000 0.540 239 Y N 2.014 122.312 120.300 -0.004 0.000 2.335 239 Y HA 0.351 4.901 4.550 0.000 0.000 0.339 239 Y C 0.011 175.937 175.900 0.043 0.000 0.987 239 Y CA -0.886 57.133 58.100 -0.136 0.000 1.140 239 Y CB 0.724 39.077 38.460 -0.179 0.000 1.173 239 Y HN 0.844 nan 8.280 nan 0.000 0.486 240 W N 5.169 126.210 121.300 -0.432 0.000 2.674 240 W HA 0.273 4.933 4.660 0.000 0.000 0.298 240 W C 0.992 177.449 176.519 -0.105 0.000 1.115 240 W CA 1.462 58.699 57.345 -0.180 0.000 1.532 240 W CB -0.427 28.935 29.460 -0.163 0.000 1.142 240 W HN 0.812 nan 8.180 nan 0.000 0.528 241 G N 1.241 109.736 108.800 -0.509 0.000 2.414 241 G HA2 0.079 4.039 3.960 0.000 0.000 0.256 241 G HA3 0.079 4.039 3.960 0.000 0.000 0.256 241 G C 0.151 174.613 174.900 -0.729 0.000 1.128 241 G CA 0.066 44.979 45.100 -0.311 0.000 0.944 241 G HN 0.708 nan 8.290 nan 0.000 0.500 242 G N -0.951 107.085 108.800 -1.273 0.000 2.613 242 G HA2 0.750 4.710 3.960 0.000 0.000 0.303 242 G HA3 0.750 4.710 3.960 0.000 0.000 0.303 242 G C -0.344 174.122 174.900 -0.723 0.000 1.312 242 G CA 0.068 44.272 45.100 -1.494 0.000 1.036 242 G HN 0.734 nan 8.290 nan 0.000 0.513 243 E N -0.420 119.473 120.200 -0.512 0.000 2.283 243 E HA 0.400 4.750 4.350 0.000 0.000 0.258 243 E C -1.198 175.296 176.600 -0.177 0.000 0.893 243 E CA -0.531 55.706 56.400 -0.272 0.000 0.798 243 E CB 1.160 30.766 29.700 -0.156 0.000 1.242 243 E HN 0.322 nan 8.360 nan 0.000 0.414 244 I N 4.792 125.270 120.570 -0.153 0.000 2.330 244 I HA 0.426 4.596 4.170 0.000 0.000 0.289 244 I C 0.049 176.113 176.117 -0.089 0.000 1.001 244 I CA -0.666 60.590 61.300 -0.073 0.000 1.193 244 I CB 1.277 39.259 38.000 -0.030 0.000 1.345 244 I HN 0.374 nan 8.210 nan 0.000 0.461 245 R N 4.645 125.098 120.500 -0.077 0.000 2.604 245 R HA 0.520 4.860 4.340 0.000 0.000 0.287 245 R C -0.585 175.678 176.300 -0.062 0.000 0.970 245 R CA -0.801 55.234 56.100 -0.108 0.000 0.946 245 R CB 2.141 32.340 30.300 -0.169 0.000 1.127 245 R HN 0.522 nan 8.270 nan 0.000 0.473 246 E N 2.340 122.500 120.200 -0.067 0.000 2.402 246 E HA 0.053 4.403 4.350 0.000 0.000 0.244 246 E C -1.321 175.257 176.600 -0.036 0.000 0.945 246 E CA -0.669 55.708 56.400 -0.038 0.000 0.774 246 E CB 1.236 30.917 29.700 -0.032 0.000 1.296 246 E HN 0.306 nan 8.360 nan 0.000 0.414 247 Q N 3.442 123.229 119.800 -0.021 0.000 2.307 247 Q HA 0.101 4.441 4.340 0.000 0.000 0.261 247 Q C -0.233 175.771 176.000 0.006 0.000 1.051 247 Q CA 0.679 56.476 55.803 -0.009 0.000 0.911 247 Q CB 0.245 28.983 28.738 -0.000 0.000 1.227 247 Q HN 0.724 nan 8.270 nan 0.000 0.418 248 N N 2.465 121.175 118.700 0.017 0.000 2.116 248 N HA 0.200 4.940 4.740 0.000 0.000 0.230 248 N C 0.806 176.365 175.510 0.080 0.000 1.326 248 N CA 0.059 53.132 53.050 0.039 0.000 0.867 248 N CB 0.768 39.268 38.487 0.022 0.000 1.174 248 N HN 0.681 nan 8.380 nan 0.000 0.506 249 G N 1.302 110.143 108.800 0.069 0.000 2.363 249 G HA2 -0.342 3.618 3.960 0.000 0.000 0.238 249 G HA3 -0.342 3.618 3.960 0.000 0.000 0.238 249 G C 0.026 174.983 174.900 0.096 0.000 1.062 249 G CA 0.375 45.517 45.100 0.069 0.000 0.629 249 G HN 0.593 nan 8.290 nan 0.000 0.514 250 H N 1.763 120.834 119.070 0.001 0.000 3.201 250 H HA 0.209 4.765 4.556 0.000 0.000 0.301 250 H C 2.161 177.500 175.328 0.018 0.000 0.948 250 H CA 1.281 57.334 56.048 0.009 0.000 1.369 250 H CB 0.859 30.625 29.762 0.005 0.000 1.293 250 H HN 0.535 nan 8.280 nan 0.000 0.575 251 S N 3.360 119.065 115.700 0.009 0.000 2.442 251 S HA -0.060 4.410 4.470 0.000 0.000 0.236 251 S C 0.718 175.368 174.600 0.083 0.000 1.007 251 S CA 0.558 58.773 58.200 0.025 0.000 0.965 251 S CB 0.141 63.334 63.200 -0.011 0.000 0.773 251 S HN 0.395 nan 8.310 nan 0.000 0.504 252 L N 2.046 123.366 121.223 0.161 0.000 2.307 252 L HA 0.555 4.895 4.340 0.000 0.000 0.284 252 L C -0.851 176.165 176.870 0.243 0.000 1.023 252 L CA -0.867 54.098 54.840 0.208 0.000 0.810 252 L CB 1.904 44.127 42.059 0.272 0.000 1.231 252 L HN 0.015 nan 8.230 nan 0.000 0.423 253 V N 2.605 122.628 119.914 0.182 0.000 2.394 253 V HA 0.305 4.425 4.120 0.000 0.000 0.282 253 V C -0.179 176.023 176.094 0.180 0.000 1.031 253 V CA -0.521 61.864 62.300 0.141 0.000 0.881 253 V CB 1.279 33.133 31.823 0.052 0.000 0.982 253 V HN 0.607 nan 8.190 nan 0.000 0.451 254 H N 3.460 122.505 119.070 -0.041 0.000 2.504 254 H HA 0.710 5.266 4.556 0.000 0.000 0.322 254 H C -0.123 175.032 175.328 -0.288 0.000 1.055 254 H CA -0.349 55.642 56.048 -0.095 0.000 1.231 254 H CB 1.951 31.705 29.762 -0.013 0.000 1.417 254 H HN 0.767 nan 8.280 nan 0.000 0.472 255 A N 2.571 125.191 122.820 -0.334 0.000 2.386 255 A HA 0.765 5.085 4.320 0.000 0.000 0.311 255 A C -1.092 176.123 177.584 -0.615 0.000 1.068 255 A CA -0.587 51.229 52.037 -0.369 0.000 0.743 255 A CB 1.529 20.428 19.000 -0.168 0.000 1.258 255 A HN 0.722 nan 8.150 nan 0.000 0.429 256 A N 1.443 123.920 122.820 -0.572 0.000 2.375 256 A HA 0.649 4.969 4.320 0.000 0.000 0.295 256 A C -1.261 176.009 177.584 -0.523 0.000 1.066 256 A CA -0.370 51.291 52.037 -0.628 0.000 0.722 256 A CB 1.223 19.799 19.000 -0.708 0.000 1.206 256 A HN 1.224 nan 8.150 nan 0.000 0.435 257 V N 3.805 123.300 119.914 -0.698 0.000 2.409 257 V HA 0.666 4.786 4.120 0.000 0.000 0.291 257 V C 0.186 176.074 176.094 -0.343 0.000 1.020 257 V CA -0.223 61.752 62.300 -0.542 0.000 0.848 257 V CB 1.214 32.664 31.823 -0.622 0.000 0.990 257 V HN 1.229 nan 8.190 nan 0.000 0.430 258 V N 2.444 122.287 119.914 -0.118 0.000 3.119 258 V HA 0.922 5.042 4.120 0.000 0.000 0.311 258 V C -0.421 175.715 176.094 0.069 0.000 1.259 258 V CA -0.498 61.871 62.300 0.116 0.000 1.067 258 V CB 2.405 34.294 31.823 0.109 0.000 1.123 258 V HN 0.695 nan 8.190 nan 0.000 0.463 259 T N -0.004 114.644 114.554 0.157 0.000 2.843 259 T HA 0.412 4.762 4.350 0.000 0.000 0.302 259 T C -1.049 173.698 174.700 0.078 0.000 1.232 259 T CA -0.451 61.662 62.100 0.021 0.000 1.009 259 T CB 1.914 70.696 68.868 -0.144 0.000 1.254 259 T HN 1.079 nan 8.240 nan 0.000 0.504 260 E N 0.399 120.528 120.200 -0.119 0.000 2.417 260 E HA 0.426 4.777 4.350 0.000 0.000 0.261 260 E C 0.412 176.982 176.600 -0.049 0.000 1.000 260 E CA 0.114 56.477 56.400 -0.062 0.000 0.919 260 E CB 0.166 29.675 29.700 -0.319 0.000 0.955 260 E HN 0.721 nan 8.360 nan 0.000 0.455 261 G N 2.590 111.358 108.800 -0.053 0.000 3.122 261 G HA2 0.642 4.602 3.960 0.000 0.000 0.180 261 G HA3 0.642 4.602 3.960 0.000 0.000 0.180 261 G C -0.785 174.075 174.900 -0.067 0.000 1.279 261 G CA -0.253 44.679 45.100 -0.280 0.000 0.987 261 G HN 0.736 nan 8.290 nan 0.000 0.589 262 A N -1.085 121.700 122.820 -0.058 0.000 2.366 262 A HA 0.709 5.029 4.320 0.000 0.000 0.249 262 A C 0.600 178.233 177.584 0.082 0.000 1.084 262 A CA 0.592 52.706 52.037 0.128 0.000 0.794 262 A CB 0.237 19.393 19.000 0.261 0.000 1.034 262 A HN 1.703 nan 8.150 nan 0.000 0.491 263 A N 0.522 123.403 122.820 0.102 0.000 2.269 263 A HA 0.631 4.951 4.320 0.000 0.000 0.327 263 A C 0.126 177.759 177.584 0.082 0.000 1.112 263 A CA -0.529 51.571 52.037 0.104 0.000 0.865 263 A CB 0.193 19.263 19.000 0.117 0.000 1.227 263 A HN 1.178 nan 8.150 nan 0.000 0.498 264 V N 0.507 120.471 119.914 0.084 0.000 2.901 264 V HA 0.349 4.469 4.120 0.000 0.000 0.307 264 V C 1.734 177.863 176.094 0.059 0.000 1.084 264 V CA 1.362 63.701 62.300 0.066 0.000 1.184 264 V CB 0.100 31.971 31.823 0.080 0.000 0.941 264 V HN 1.992 nan 8.190 nan 0.000 0.493 265 G N 3.229 112.054 108.800 0.042 0.000 2.244 265 G HA2 -0.294 3.666 3.960 0.000 0.000 0.274 265 G HA3 -0.294 3.666 3.960 0.000 0.000 0.274 265 G C 0.443 175.363 174.900 0.035 0.000 1.002 265 G CA 0.655 45.773 45.100 0.031 0.000 0.740 265 G HN 1.068 nan 8.290 nan 0.000 0.516 266 S N -0.752 114.977 115.700 0.048 0.000 2.584 266 S HA 0.692 5.162 4.470 0.000 0.000 0.273 266 S C 1.757 176.381 174.600 0.040 0.000 1.311 266 S CA 0.577 58.809 58.200 0.053 0.000 1.034 266 S CB 1.198 64.446 63.200 0.079 0.000 0.939 266 S HN 1.411 nan 8.310 nan 0.000 0.513 267 A N 3.014 125.851 122.820 0.028 0.000 1.898 267 A HA -0.029 4.291 4.320 0.000 0.000 0.216 267 A C 1.901 179.488 177.584 0.005 0.000 1.181 267 A CA 1.641 53.684 52.037 0.009 0.000 0.620 267 A CB -0.838 18.162 19.000 0.000 0.000 0.819 267 A HN 0.959 nan 8.150 nan 0.000 0.442 268 E N -0.244 119.970 120.200 0.023 0.000 2.409 268 E HA 0.021 4.371 4.350 0.000 0.000 0.198 268 E C 1.912 178.558 176.600 0.076 0.000 1.024 268 E CA 0.522 56.926 56.400 0.007 0.000 0.861 268 E CB -0.202 29.530 29.700 0.052 0.000 0.788 268 E HN 0.595 nan 8.360 nan 0.000 0.521 269 A N 1.982 124.869 122.820 0.112 0.000 1.829 269 A HA -0.283 4.038 4.320 0.000 0.000 0.216 269 A C 1.837 179.485 177.584 0.107 0.000 1.207 269 A CA 1.821 53.946 52.037 0.147 0.000 0.622 269 A CB -0.921 18.130 19.000 0.086 0.000 0.846 269 A HN 0.366 nan 8.150 nan 0.000 0.447 270 N N 0.549 119.274 118.700 0.042 0.000 2.144 270 N HA -0.295 4.446 4.740 0.000 0.000 0.195 270 N C 1.879 177.390 175.510 0.002 0.000 1.006 270 N CA 1.709 54.769 53.050 0.017 0.000 0.880 270 N CB -0.461 38.017 38.487 -0.015 0.000 1.018 270 N HN 0.565 nan 8.380 nan 0.000 0.443 271 A N 1.111 123.897 122.820 -0.057 0.000 1.858 271 A HA -0.101 4.219 4.320 0.000 0.000 0.216 271 A C 2.090 179.558 177.584 -0.193 0.000 1.190 271 A CA 1.127 53.063 52.037 -0.168 0.000 0.617 271 A CB -0.991 17.825 19.000 -0.306 0.000 0.827 271 A HN 0.213 nan 8.150 nan 0.000 0.443 272 F N 0.790 120.674 119.950 -0.111 0.000 2.102 272 F HA -0.176 4.351 4.527 0.000 0.000 0.298 272 F C 2.875 178.692 175.800 0.027 0.000 1.105 272 F CA 1.532 59.422 58.000 -0.183 0.000 1.239 272 F CB -0.243 38.636 39.000 -0.202 0.000 0.991 272 F HN 0.152 nan 8.300 nan 0.000 0.474 273 S N -0.145 115.704 115.700 0.249 0.000 2.387 273 S HA -0.184 4.286 4.470 0.000 0.000 0.230 273 S C 2.105 176.834 174.600 0.215 0.000 1.035 273 S CA 1.363 59.684 58.200 0.202 0.000 1.014 273 S CB -0.571 62.719 63.200 0.150 0.000 0.836 273 S HN 0.145 nan 8.310 nan 0.000 0.466 274 V N 1.427 121.435 119.914 0.158 0.000 2.407 274 V HA -0.025 4.095 4.120 0.000 0.000 0.245 274 V C 2.135 178.316 176.094 0.145 0.000 1.041 274 V CA 1.238 63.629 62.300 0.151 0.000 1.040 274 V CB -0.601 31.258 31.823 0.059 0.000 0.671 274 V HN 0.415 nan 8.190 nan 0.000 0.455 275 L N 0.268 121.550 121.223 0.097 0.000 2.187 275 L HA -0.194 4.146 4.340 0.000 0.000 0.213 275 L C 2.312 179.332 176.870 0.251 0.000 1.100 275 L CA 2.022 56.931 54.840 0.115 0.000 0.765 275 L CB -0.765 41.293 42.059 -0.001 0.000 0.904 275 L HN 0.420 nan 8.230 nan 0.000 0.437 276 Q N -1.225 118.753 119.800 0.297 0.000 1.967 276 Q HA -0.248 4.092 4.340 0.000 0.000 0.202 276 Q C 2.191 178.215 176.000 0.039 0.000 0.985 276 Q CA 1.926 57.849 55.803 0.201 0.000 0.839 276 Q CB -0.280 28.497 28.738 0.066 0.000 0.906 276 Q HN 0.643 nan 8.270 nan 0.000 0.423 277 H N -0.578 118.565 119.070 0.123 0.000 2.422 277 H HA -0.105 4.452 4.556 0.000 0.000 0.298 277 H C 2.258 177.632 175.328 0.076 0.000 1.098 277 H CA 1.495 57.593 56.048 0.083 0.000 1.315 277 H CB -0.045 29.754 29.762 0.063 0.000 1.382 277 H HN 0.171 nan 8.280 nan 0.000 0.523 278 V N 1.123 121.147 119.914 0.183 0.000 2.343 278 V HA -0.229 3.891 4.120 0.000 0.000 0.247 278 V C 2.751 178.910 176.094 0.107 0.000 1.051 278 V CA 1.375 63.748 62.300 0.122 0.000 1.036 278 V CB -0.539 31.341 31.823 0.094 0.000 0.654 278 V HN 0.244 nan 8.190 nan 0.000 0.451 279 L N -0.260 121.033 121.223 0.118 0.000 2.217 279 L HA 0.263 4.604 4.340 0.000 0.000 0.211 279 L C 1.061 177.989 176.870 0.096 0.000 1.107 279 L CA 1.022 55.922 54.840 0.100 0.000 0.783 279 L CB -0.360 41.770 42.059 0.117 0.000 0.919 279 L HN 0.576 nan 8.230 nan 0.000 0.442 280 G N -0.206 108.651 108.800 0.095 0.000 3.367 280 G HA2 0.184 4.145 3.960 0.000 0.000 0.686 280 G HA3 0.184 4.145 3.960 0.000 0.000 0.686 280 G C -0.647 174.287 174.900 0.057 0.000 1.146 280 G CA -0.528 44.632 45.100 0.099 0.000 0.913 280 G HN 0.318 nan 8.290 nan 0.000 0.554 281 A N 1.590 124.425 122.820 0.025 0.000 2.943 281 A HA 1.057 5.377 4.320 0.000 0.000 0.327 281 A C 0.917 178.513 177.584 0.020 0.000 1.141 281 A CA 0.831 52.850 52.037 -0.029 0.000 0.773 281 A CB 0.545 19.431 19.000 -0.191 0.000 1.143 281 A HN 2.922 nan 8.150 nan 0.000 0.463 282 G N 2.639 111.469 108.800 0.051 0.000 3.055 282 G HA2 0.071 4.031 3.960 0.000 0.000 0.686 282 G HA3 0.071 4.031 3.960 0.000 0.000 0.686 282 G C -2.407 172.526 174.900 0.055 0.000 1.087 282 G CA -0.459 44.670 45.100 0.048 0.000 0.779 282 G HN 0.740 nan 8.290 nan 0.000 0.599 283 P HA 0.423 nan 4.420 nan 0.000 0.274 283 P C 0.853 178.153 177.300 0.000 0.000 1.231 283 P CA -0.543 62.558 63.100 0.001 0.000 0.790 283 P CB 1.060 32.752 31.700 -0.015 0.000 0.951 284 L N 0.848 122.062 121.223 -0.014 0.000 2.701 284 L HA 0.362 4.702 4.340 0.000 0.000 0.238 284 L C 0.809 177.667 176.870 -0.020 0.000 1.106 284 L CA 0.160 54.995 54.840 -0.008 0.000 0.898 284 L CB 0.158 42.215 42.059 -0.004 0.000 1.188 284 L HN 0.278 nan 8.230 nan 0.000 0.508 285 I N 0.948 121.497 120.570 -0.035 0.000 2.410 285 I HA 0.184 4.355 4.170 0.000 0.000 0.286 285 I C 0.190 176.284 176.117 -0.038 0.000 1.009 285 I CA -0.580 60.698 61.300 -0.037 0.000 1.111 285 I CB 2.079 40.050 38.000 -0.047 0.000 1.262 285 I HN -0.022 nan 8.210 nan 0.000 0.443 286 K N 6.701 127.085 120.400 -0.027 0.000 2.473 286 K HA 0.006 4.326 4.320 0.000 0.000 0.277 286 K C 0.553 177.136 176.600 -0.028 0.000 1.052 286 K CA 0.522 56.796 56.287 -0.023 0.000 1.114 286 K CB 0.227 32.718 32.500 -0.016 0.000 0.869 286 K HN 0.581 nan 8.250 nan 0.000 0.481 287 R N 0.633 121.117 120.500 -0.028 0.000 4.000 287 R HA -0.198 4.142 4.340 0.000 0.000 0.348 287 R C 0.477 176.750 176.300 -0.046 0.000 1.204 287 R CA 0.870 56.952 56.100 -0.030 0.000 0.987 287 R CB -2.037 28.252 30.300 -0.020 0.000 1.446 287 R HN 0.834 nan 8.270 nan 0.000 0.555 288 G N 0.021 108.783 108.800 -0.063 0.000 2.504 288 G HA2 0.393 4.353 3.960 0.000 0.000 0.288 288 G HA3 0.393 4.353 3.960 0.000 0.000 0.288 288 G C -0.331 174.475 174.900 -0.157 0.000 1.182 288 G CA -0.013 45.034 45.100 -0.088 0.000 0.894 288 G HN 0.075 nan 8.290 nan 0.000 0.521 289 S N -0.848 114.744 115.700 -0.181 0.000 2.610 289 S HA 0.503 4.973 4.470 0.000 0.000 0.273 289 S C 0.302 174.683 174.600 -0.365 0.000 1.274 289 S CA -0.508 57.501 58.200 -0.317 0.000 1.023 289 S CB 0.817 63.905 63.200 -0.187 0.000 0.962 289 S HN 0.451 nan 8.310 nan 0.000 0.523 290 S N 3.180 118.510 115.700 -0.617 0.000 2.474 290 S HA 0.267 4.737 4.470 0.000 0.000 0.320 290 S C 1.015 175.484 174.600 -0.218 0.000 1.067 290 S CA -0.832 57.141 58.200 -0.378 0.000 1.127 290 S CB 1.151 64.119 63.200 -0.388 0.000 0.971 290 S HN 0.598 nan 8.310 nan 0.000 0.472 291 V N 2.758 122.603 119.914 -0.115 0.000 2.535 291 V HA -0.071 4.049 4.120 0.000 0.000 0.246 291 V C 2.130 178.216 176.094 -0.013 0.000 1.045 291 V CA 1.291 63.561 62.300 -0.049 0.000 1.058 291 V CB -0.958 30.843 31.823 -0.037 0.000 0.689 291 V HN 0.721 nan 8.190 nan 0.000 0.461 292 T N -0.037 114.509 114.554 -0.012 0.000 3.155 292 T HA -0.040 4.310 4.350 0.000 0.000 0.264 292 T C 0.956 175.681 174.700 0.042 0.000 1.160 292 T CA 0.964 63.074 62.100 0.016 0.000 1.075 292 T CB -0.195 68.682 68.868 0.015 0.000 0.921 292 T HN 0.359 nan 8.240 nan 0.000 0.533 293 S N 0.855 116.583 115.700 0.046 0.000 2.461 293 S HA 0.277 4.747 4.470 0.000 0.000 0.322 293 S C 1.209 175.875 174.600 0.110 0.000 1.063 293 S CA -0.882 57.375 58.200 0.096 0.000 1.120 293 S CB 0.444 63.728 63.200 0.140 0.000 0.968 293 S HN 0.206 nan 8.310 nan 0.000 0.467 294 K N 3.093 123.545 120.400 0.087 0.000 2.057 294 K HA -0.090 4.230 4.320 0.000 0.000 0.207 294 K C 1.724 178.369 176.600 0.074 0.000 1.049 294 K CA 0.912 57.240 56.287 0.069 0.000 0.931 294 K CB -0.287 32.242 32.500 0.049 0.000 0.714 294 K HN 0.523 nan 8.250 nan 0.000 0.440 295 L N 0.682 121.951 121.223 0.076 0.000 1.994 295 L HA -0.212 4.129 4.340 0.000 0.000 0.208 295 L C 2.268 179.200 176.870 0.104 0.000 1.071 295 L CA 1.720 56.584 54.840 0.040 0.000 0.745 295 L CB -0.863 41.213 42.059 0.027 0.000 0.892 295 L HN 0.116 nan 8.230 nan 0.000 0.431 296 Y N 0.152 120.495 120.300 0.071 0.000 2.070 296 Y HA -0.310 4.240 4.550 0.000 0.000 0.280 296 Y C 2.728 178.720 175.900 0.154 0.000 1.148 296 Y CA 2.157 60.349 58.100 0.154 0.000 1.125 296 Y CB -0.518 38.000 38.460 0.097 0.000 0.975 296 Y HN 0.311 nan 8.280 nan 0.000 0.492 297 Q N -0.223 119.804 119.800 0.378 0.000 2.133 297 Q HA -0.190 4.150 4.340 0.000 0.000 0.208 297 Q C 2.509 178.588 176.000 0.132 0.000 0.991 297 Q CA 1.590 57.529 55.803 0.227 0.000 0.867 297 Q CB -1.257 27.551 28.738 0.117 0.000 0.911 297 Q HN 0.664 nan 8.270 nan 0.000 0.417 298 G N 0.142 108.986 108.800 0.073 0.000 2.433 298 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 298 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 298 G C 1.626 176.484 174.900 -0.069 0.000 1.186 298 G CA 1.187 46.282 45.100 -0.008 0.000 0.779 298 G HN 0.300 nan 8.290 nan 0.000 0.543 299 V N 1.777 121.621 119.914 -0.117 0.000 2.407 299 V HA -0.148 3.972 4.120 0.000 0.000 0.248 299 V C 3.335 179.178 176.094 -0.419 0.000 1.055 299 V CA 1.923 64.018 62.300 -0.341 0.000 1.049 299 V CB -1.029 30.493 31.823 -0.502 0.000 0.662 299 V HN 0.494 nan 8.190 nan 0.000 0.455 300 A N 0.265 123.031 122.820 -0.090 0.000 1.892 300 A HA -0.280 4.040 4.320 0.000 0.000 0.218 300 A C 2.270 179.841 177.584 -0.021 0.000 1.188 300 A CA 2.186 54.278 52.037 0.092 0.000 0.631 300 A CB -0.486 18.730 19.000 0.360 0.000 0.822 300 A HN 0.580 nan 8.150 nan 0.000 0.447 301 K N -0.465 119.922 120.400 -0.023 0.000 2.362 301 K HA 0.057 4.377 4.320 0.000 0.000 0.200 301 K C 2.071 178.621 176.600 -0.084 0.000 1.046 301 K CA 0.808 57.073 56.287 -0.036 0.000 0.952 301 K CB -0.197 32.291 32.500 -0.020 0.000 0.753 301 K HN 0.485 nan 8.250 nan 0.000 0.466 302 A N 0.877 123.609 122.820 -0.147 0.000 1.871 302 A HA -0.015 4.305 4.320 0.000 0.000 0.211 302 A C 1.549 179.011 177.584 -0.203 0.000 1.207 302 A CA 0.980 52.917 52.037 -0.167 0.000 0.620 302 A CB -0.114 18.770 19.000 -0.194 0.000 0.860 302 A HN 0.228 nan 8.150 nan 0.000 0.450 303 T N -2.349 112.022 114.554 -0.304 0.000 2.897 303 T HA 0.464 4.814 4.350 0.000 0.000 0.278 303 T C 0.881 175.437 174.700 -0.239 0.000 0.981 303 T CA 0.444 62.342 62.100 -0.336 0.000 0.973 303 T CB 1.359 69.963 68.868 -0.440 0.000 1.092 303 T HN 0.192 nan 8.240 nan 0.000 0.543 304 T N 0.954 115.355 114.554 -0.254 0.000 2.987 304 T HA 0.224 4.574 4.350 0.000 0.000 0.248 304 T C 0.461 175.140 174.700 -0.035 0.000 0.997 304 T CA -0.210 61.820 62.100 -0.117 0.000 1.013 304 T CB 0.281 69.076 68.868 -0.121 0.000 1.077 304 T HN 0.437 nan 8.240 nan 0.000 0.483 305 Q N 1.561 121.316 119.800 -0.075 0.000 2.318 305 Q HA 0.380 4.721 4.340 0.000 0.000 0.222 305 Q C -2.532 173.584 176.000 0.193 0.000 1.003 305 Q CA -2.299 53.544 55.803 0.066 0.000 0.936 305 Q CB -0.373 28.442 28.738 0.128 0.000 1.204 305 Q HN 0.120 nan 8.270 nan 0.000 0.524 306 P HA 0.046 nan 4.420 nan 0.000 0.266 306 P C -0.857 176.596 177.300 0.255 0.000 1.193 306 P CA 0.444 63.640 63.100 0.160 0.000 0.770 306 P CB 0.270 32.019 31.700 0.081 0.000 0.836 307 F N -0.987 118.948 119.950 -0.026 0.000 3.265 307 F HA 0.684 5.211 4.527 0.000 0.000 0.328 307 F C -2.199 173.518 175.800 -0.138 0.000 1.117 307 F CA -0.975 56.982 58.000 -0.073 0.000 0.850 307 F CB 1.016 39.955 39.000 -0.101 0.000 1.470 307 F HN 0.228 nan 8.300 nan 0.000 0.473 308 D N 0.421 120.672 120.400 -0.249 0.000 2.654 308 D HA 0.743 5.383 4.640 0.000 0.000 0.231 308 D C -1.822 174.454 176.300 -0.040 0.000 1.239 308 D CA 0.107 53.857 54.000 -0.416 0.000 0.790 308 D CB 2.437 43.098 40.800 -0.232 0.000 1.480 308 D HN 1.238 nan 8.370 nan 0.000 0.442 309 A N 1.116 123.866 122.820 -0.117 0.000 2.540 309 A HA 0.733 5.053 4.320 0.000 0.000 0.297 309 A C -1.213 176.406 177.584 0.058 0.000 1.056 309 A CA -0.508 51.556 52.037 0.044 0.000 0.700 309 A CB 1.618 20.647 19.000 0.048 0.000 1.280 309 A HN 0.360 nan 8.150 nan 0.000 0.398 310 S N -0.347 115.427 115.700 0.123 0.000 2.651 310 S HA 0.825 5.295 4.470 0.000 0.000 0.279 310 S C -0.257 174.412 174.600 0.114 0.000 1.148 310 S CA -0.028 58.234 58.200 0.103 0.000 0.837 310 S CB 1.869 65.107 63.200 0.063 0.000 1.138 310 S HN 1.895 nan 8.310 nan 0.000 0.478 311 A N 1.293 124.134 122.820 0.035 0.000 2.320 311 A HA 0.661 4.981 4.320 0.000 0.000 0.287 311 A C -0.871 176.653 177.584 -0.099 0.000 1.181 311 A CA -0.177 51.821 52.037 -0.066 0.000 0.831 311 A CB -0.369 18.589 19.000 -0.071 0.000 1.102 311 A HN 0.619 nan 8.150 nan 0.000 0.513 312 F N 3.157 122.908 119.950 -0.332 0.000 2.408 312 F HA 0.595 5.122 4.527 0.000 0.000 0.344 312 F C -0.066 175.484 175.800 -0.417 0.000 1.112 312 F CA -0.563 57.276 58.000 -0.267 0.000 1.096 312 F CB 1.276 40.186 39.000 -0.151 0.000 1.129 312 F HN 0.607 nan 8.300 nan 0.000 0.486 313 N N 4.726 122.857 118.700 -0.949 0.000 2.616 313 N HA 0.476 5.216 4.740 0.000 0.000 0.281 313 N C -2.330 172.812 175.510 -0.613 0.000 1.145 313 N CA -0.429 52.269 53.050 -0.586 0.000 0.919 313 N CB 1.581 39.982 38.487 -0.144 0.000 1.509 313 N HN 0.321 nan 8.380 nan 0.000 0.537 314 V N 2.743 122.334 119.914 -0.538 0.000 2.604 314 V HA 0.605 4.725 4.120 0.000 0.000 0.305 314 V C -0.746 175.114 176.094 -0.391 0.000 1.043 314 V CA -0.947 61.059 62.300 -0.490 0.000 0.888 314 V CB 1.895 33.408 31.823 -0.517 0.000 0.995 314 V HN 0.638 nan 8.190 nan 0.000 0.429 315 N N 3.457 121.930 118.700 -0.379 0.000 2.479 315 N HA 0.503 5.243 4.740 0.000 0.000 0.261 315 N C -1.216 174.163 175.510 -0.218 0.000 0.979 315 N CA -0.264 52.660 53.050 -0.211 0.000 0.930 315 N CB 1.612 40.056 38.487 -0.071 0.000 1.172 315 N HN 0.642 nan 8.380 nan 0.000 0.499 316 Y N -0.027 120.324 120.300 0.085 0.000 2.488 316 Y HA 0.118 4.668 4.550 0.000 0.000 0.325 316 Y C 2.105 178.056 175.900 0.085 0.000 1.204 316 Y CA -0.824 57.328 58.100 0.087 0.000 1.229 316 Y CB 1.214 39.727 38.460 0.089 0.000 1.274 316 Y HN 0.489 nan 8.280 nan 0.000 0.493 317 S N 0.221 116.088 115.700 0.280 0.000 2.380 317 S HA -0.282 4.188 4.470 0.000 0.000 0.229 317 S C 0.887 175.579 174.600 0.152 0.000 1.050 317 S CA 2.127 60.432 58.200 0.175 0.000 1.100 317 S CB -0.487 62.800 63.200 0.145 0.000 0.984 317 S HN 0.857 nan 8.310 nan 0.000 0.434 318 D N 0.125 120.619 120.400 0.158 0.000 2.559 318 D HA 0.532 5.172 4.640 0.000 0.000 0.234 318 D C 0.171 176.585 176.300 0.191 0.000 1.226 318 D CA -0.027 54.059 54.000 0.142 0.000 0.830 318 D CB 0.303 41.165 40.800 0.104 0.000 1.028 318 D HN 0.370 nan 8.370 nan 0.000 0.492 319 S N -2.023 113.825 115.700 0.247 0.000 2.655 319 S HA 0.654 5.124 4.470 0.000 0.000 0.263 319 S C -1.436 173.353 174.600 0.315 0.000 1.091 319 S CA -0.261 58.118 58.200 0.297 0.000 0.865 319 S CB 0.897 64.356 63.200 0.432 0.000 1.146 319 S HN 0.612 nan 8.310 nan 0.000 0.482 320 G N 0.243 109.219 108.800 0.294 0.000 2.576 320 G HA2 0.613 4.573 3.960 0.000 0.000 0.290 320 G HA3 0.613 4.573 3.960 0.000 0.000 0.290 320 G C -2.373 172.632 174.900 0.174 0.000 1.442 320 G CA -0.588 44.612 45.100 0.167 0.000 0.792 320 G HN 0.762 nan 8.290 nan 0.000 0.491 321 L N 0.015 121.293 121.223 0.091 0.000 2.401 321 L HA 0.783 5.123 4.340 0.000 0.000 0.266 321 L C -1.366 175.569 176.870 0.108 0.000 0.991 321 L CA -0.832 54.107 54.840 0.166 0.000 0.818 321 L CB 2.519 44.759 42.059 0.302 0.000 1.321 321 L HN 0.576 nan 8.230 nan 0.000 0.413 322 F N 1.038 120.991 119.950 0.006 0.000 2.608 322 F HA 0.830 5.357 4.527 0.000 0.000 0.309 322 F C 0.013 175.957 175.800 0.241 0.000 1.103 322 F CA 0.169 58.159 58.000 -0.017 0.000 0.954 322 F CB 2.233 40.983 39.000 -0.417 0.000 1.267 322 F HN 0.546 nan 8.300 nan 0.000 0.444 323 G N 2.935 111.408 108.800 -0.545 0.000 2.455 323 G HA2 0.341 4.301 3.960 0.000 0.000 0.223 323 G HA3 0.341 4.301 3.960 0.000 0.000 0.223 323 G C -1.965 172.741 174.900 -0.323 0.000 1.226 323 G CA -0.140 44.804 45.100 -0.261 0.000 0.948 323 G HN 1.030 nan 8.290 nan 0.000 0.478 324 F N -1.221 118.648 119.950 -0.134 0.000 2.620 324 F HA 0.889 5.416 4.527 0.000 0.000 0.320 324 F C -1.097 174.711 175.800 0.014 0.000 1.069 324 F CA -1.948 56.009 58.000 -0.072 0.000 0.953 324 F CB 1.893 40.834 39.000 -0.099 0.000 1.322 324 F HN 0.636 nan 8.300 nan 0.000 0.479 325 Y N 1.131 121.528 120.300 0.161 0.000 2.361 325 Y HA 0.598 5.148 4.550 0.000 0.000 0.337 325 Y C -0.827 175.134 175.900 0.103 0.000 0.965 325 Y CA -0.600 57.521 58.100 0.035 0.000 1.091 325 Y CB 1.879 40.324 38.460 -0.026 0.000 1.182 325 Y HN 0.991 nan 8.280 nan 0.000 0.450 326 T N 4.901 119.578 114.554 0.205 0.000 2.861 326 T HA 0.682 5.032 4.350 0.000 0.000 0.287 326 T C -1.020 173.718 174.700 0.063 0.000 1.003 326 T CA -0.710 61.502 62.100 0.186 0.000 0.977 326 T CB 1.308 70.257 68.868 0.136 0.000 0.996 326 T HN 0.516 nan 8.240 nan 0.000 0.448 327 I N 3.196 123.791 120.570 0.041 0.000 2.389 327 I HA 0.627 4.797 4.170 0.000 0.000 0.288 327 I C 0.071 176.217 176.117 0.047 0.000 0.999 327 I CA -0.683 60.556 61.300 -0.102 0.000 1.129 327 I CB 1.839 39.682 38.000 -0.262 0.000 1.288 327 I HN 1.003 nan 8.210 nan 0.000 0.444 328 S N 3.955 119.699 115.700 0.074 0.000 2.625 328 S HA 0.445 4.915 4.470 0.000 0.000 0.271 328 S C -1.057 173.615 174.600 0.121 0.000 1.161 328 S CA -1.134 57.145 58.200 0.131 0.000 0.820 328 S CB 1.628 64.897 63.200 0.115 0.000 1.137 328 S HN 0.577 nan 8.310 nan 0.000 0.470 329 Q N 0.567 120.454 119.800 0.146 0.000 2.395 329 Q HA 0.385 4.725 4.340 0.000 0.000 0.271 329 Q C 1.607 177.630 176.000 0.040 0.000 1.026 329 Q CA 0.173 56.036 55.803 0.100 0.000 0.900 329 Q CB 0.682 29.500 28.738 0.132 0.000 1.266 329 Q HN 0.873 nan 8.270 nan 0.000 0.430 330 A N 2.922 125.745 122.820 0.005 0.000 1.852 330 A HA -0.306 4.014 4.320 0.000 0.000 0.217 330 A C 2.118 179.653 177.584 -0.081 0.000 1.215 330 A CA 2.335 54.359 52.037 -0.021 0.000 0.641 330 A CB -1.366 17.623 19.000 -0.019 0.000 0.838 330 A HN 0.933 nan 8.150 nan 0.000 0.450 331 A N -1.898 120.812 122.820 -0.183 0.000 2.093 331 A HA -0.226 4.094 4.320 0.000 0.000 0.222 331 A C 1.675 179.078 177.584 -0.303 0.000 1.162 331 A CA 1.926 53.793 52.037 -0.283 0.000 0.655 331 A CB -0.811 17.941 19.000 -0.412 0.000 0.805 331 A HN 0.724 nan 8.150 nan 0.000 0.461 332 H N -1.801 117.267 119.070 -0.004 0.000 2.594 332 H HA 0.461 5.017 4.556 0.000 0.000 0.279 332 H C 1.995 177.300 175.328 -0.038 0.000 1.042 332 H CA 0.364 56.397 56.048 -0.025 0.000 1.177 332 H CB -0.287 29.457 29.762 -0.031 0.000 1.524 332 H HN 0.514 nan 8.280 nan 0.000 0.537 333 A N 0.876 123.728 122.820 0.053 0.000 1.933 333 A HA -0.057 4.263 4.320 0.000 0.000 0.218 333 A C 2.642 180.233 177.584 0.012 0.000 1.175 333 A CA 1.431 53.483 52.037 0.024 0.000 0.628 333 A CB -0.904 18.099 19.000 0.006 0.000 0.814 333 A HN 0.429 nan 8.150 nan 0.000 0.444 334 G N 0.795 109.605 108.800 0.018 0.000 2.587 334 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 334 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 334 G C 1.372 176.273 174.900 0.002 0.000 1.240 334 G CA 1.197 46.307 45.100 0.017 0.000 0.794 334 G HN 0.757 nan 8.290 nan 0.000 0.580 335 E N 0.174 120.375 120.200 0.002 0.000 2.118 335 E HA -0.125 4.225 4.350 0.000 0.000 0.195 335 E C 2.474 179.014 176.600 -0.099 0.000 0.992 335 E CA 1.361 57.737 56.400 -0.040 0.000 0.804 335 E CB -0.522 29.154 29.700 -0.040 0.000 0.741 335 E HN 0.309 nan 8.360 nan 0.000 0.458 336 V N 1.646 121.496 119.914 -0.106 0.000 2.427 336 V HA -0.219 3.901 4.120 0.000 0.000 0.248 336 V C 2.343 178.343 176.094 -0.157 0.000 1.051 336 V CA 1.540 63.728 62.300 -0.187 0.000 1.048 336 V CB -0.430 31.293 31.823 -0.166 0.000 0.666 336 V HN 0.287 nan 8.190 nan 0.000 0.456 337 I N -0.767 119.761 120.570 -0.070 0.000 2.286 337 I HA -0.136 4.034 4.170 0.000 0.000 0.245 337 I C 2.791 178.860 176.117 -0.079 0.000 1.104 337 I CA 0.993 62.278 61.300 -0.025 0.000 1.397 337 I CB -0.498 37.556 38.000 0.089 0.000 1.072 337 I HN 0.213 nan 8.210 nan 0.000 0.417 338 R N 1.393 121.865 120.500 -0.047 0.000 2.097 338 R HA -0.188 4.152 4.340 0.000 0.000 0.236 338 R C 2.415 178.652 176.300 -0.105 0.000 1.135 338 R CA 1.782 57.858 56.100 -0.040 0.000 0.934 338 R CB -1.211 29.073 30.300 -0.027 0.000 0.846 338 R HN 0.382 nan 8.270 nan 0.000 0.431 339 A N 1.636 124.371 122.820 -0.142 0.000 1.884 339 A HA -0.201 4.119 4.320 0.000 0.000 0.219 339 A C 2.494 179.932 177.584 -0.243 0.000 1.197 339 A CA 2.476 54.409 52.037 -0.173 0.000 0.637 339 A CB -0.842 18.035 19.000 -0.204 0.000 0.827 339 A HN 0.442 nan 8.150 nan 0.000 0.450 340 A N -1.482 121.104 122.820 -0.390 0.000 1.978 340 A HA -0.125 4.195 4.320 0.000 0.000 0.220 340 A C 2.221 179.402 177.584 -0.671 0.000 1.170 340 A CA 1.946 53.577 52.037 -0.676 0.000 0.636 340 A CB -0.445 17.818 19.000 -1.229 0.000 0.810 340 A HN 0.496 nan 8.150 nan 0.000 0.448 341 M N -0.248 119.106 119.600 -0.410 0.000 2.081 341 M HA -0.089 4.391 4.480 0.000 0.000 0.261 341 M C 1.767 178.053 176.300 -0.023 0.000 1.075 341 M CA 1.212 56.468 55.300 -0.074 0.000 1.133 341 M CB -1.368 31.288 32.600 0.095 0.000 1.330 341 M HN 0.417 nan 8.290 nan 0.000 0.414 342 N N 0.558 119.234 118.700 -0.041 0.000 2.132 342 N HA -0.203 4.537 4.740 0.000 0.000 0.191 342 N C 1.612 177.109 175.510 -0.023 0.000 1.015 342 N CA 1.180 54.220 53.050 -0.017 0.000 0.864 342 N CB -0.434 38.035 38.487 -0.031 0.000 1.006 342 N HN 0.413 nan 8.380 nan 0.000 0.430 343 Q N 0.249 120.009 119.800 -0.068 0.000 2.297 343 Q HA 0.080 4.420 4.340 0.000 0.000 0.204 343 Q C 2.166 178.149 176.000 -0.027 0.000 0.962 343 Q CA 0.327 56.098 55.803 -0.054 0.000 0.879 343 Q CB 0.039 28.726 28.738 -0.086 0.000 0.947 343 Q HN 0.462 nan 8.270 nan 0.000 0.462 344 L N -0.206 121.002 121.223 -0.024 0.000 2.168 344 L HA -0.092 4.248 4.340 0.000 0.000 0.203 344 L C 2.218 179.143 176.870 0.091 0.000 1.078 344 L CA 0.752 55.605 54.840 0.022 0.000 0.780 344 L CB -0.024 42.027 42.059 -0.014 0.000 0.939 344 L HN 0.083 nan 8.230 nan 0.000 0.451 345 K N 0.091 120.553 120.400 0.104 0.000 2.001 345 K HA -0.111 4.209 4.320 0.000 0.000 0.208 345 K C 2.120 178.758 176.600 0.063 0.000 1.048 345 K CA 1.328 57.678 56.287 0.104 0.000 0.932 345 K CB -0.318 32.238 32.500 0.094 0.000 0.715 345 K HN 0.229 nan 8.250 nan 0.000 0.437 346 A N 1.417 124.261 122.820 0.040 0.000 2.084 346 A HA -0.184 4.136 4.320 0.000 0.000 0.221 346 A C 2.236 179.836 177.584 0.027 0.000 1.161 346 A CA 2.021 54.073 52.037 0.026 0.000 0.653 346 A CB -0.581 18.426 19.000 0.013 0.000 0.802 346 A HN 0.385 nan 8.150 nan 0.000 0.457 347 A N -0.948 121.892 122.820 0.034 0.000 2.030 347 A HA 0.462 4.782 4.320 0.000 0.000 0.215 347 A C 2.284 179.887 177.584 0.032 0.000 1.164 347 A CA 1.211 53.267 52.037 0.032 0.000 0.697 347 A CB -0.581 18.442 19.000 0.039 0.000 0.827 347 A HN 0.965 nan 8.150 nan 0.000 0.457 348 A N -0.464 122.386 122.820 0.049 0.000 2.119 348 A HA -0.014 4.306 4.320 0.000 0.000 0.217 348 A C 1.461 179.063 177.584 0.030 0.000 1.153 348 A CA 0.771 52.836 52.037 0.047 0.000 0.692 348 A CB -0.271 18.780 19.000 0.086 0.000 0.799 348 A HN 0.595 nan 8.150 nan 0.000 0.458 349 Q N -0.675 119.142 119.800 0.028 0.000 2.375 349 Q HA 0.377 4.718 4.340 0.000 0.000 0.316 349 Q C 0.685 176.692 176.000 0.012 0.000 0.927 349 Q CA 0.047 55.862 55.803 0.019 0.000 1.029 349 Q CB -0.011 28.740 28.738 0.022 0.000 1.202 349 Q HN 0.670 nan 8.270 nan 0.000 0.431 350 G N 0.544 109.348 108.800 0.007 0.000 2.179 350 G HA2 -0.299 3.661 3.960 0.000 0.000 0.257 350 G HA3 -0.299 3.661 3.960 0.000 0.000 0.257 350 G C 0.512 175.414 174.900 0.005 0.000 1.010 350 G CA 0.069 45.170 45.100 0.002 0.000 0.736 350 G HN 0.594 nan 8.290 nan 0.000 0.513 351 G N -0.724 108.082 108.800 0.009 0.000 3.414 351 G HA2 0.468 4.428 3.960 0.000 0.000 0.258 351 G HA3 0.468 4.428 3.960 0.000 0.000 0.258 351 G C 0.040 174.947 174.900 0.011 0.000 1.348 351 G CA 0.433 45.539 45.100 0.011 0.000 1.319 351 G HN 0.959 nan 8.290 nan 0.000 0.555 352 V N 0.782 120.700 119.914 0.007 0.000 2.409 352 V HA 0.262 4.383 4.120 0.000 0.000 0.290 352 V C 0.401 176.497 176.094 0.003 0.000 1.017 352 V CA -0.719 61.585 62.300 0.007 0.000 0.841 352 V CB 1.300 33.125 31.823 0.003 0.000 1.003 352 V HN 0.210 nan 8.190 nan 0.000 0.426 353 T N 2.896 117.454 114.554 0.006 0.000 2.856 353 T HA 0.041 4.391 4.350 0.000 0.000 0.306 353 T C 1.227 175.928 174.700 0.001 0.000 1.062 353 T CA 0.119 62.221 62.100 0.003 0.000 1.083 353 T CB 1.057 69.928 68.868 0.005 0.000 0.984 353 T HN 0.864 nan 8.240 nan 0.000 0.542 354 E N 0.892 121.091 120.200 -0.002 0.000 2.268 354 E HA -0.104 4.246 4.350 0.000 0.000 0.195 354 E C 1.946 178.545 176.600 -0.003 0.000 0.995 354 E CA 1.141 57.538 56.400 -0.004 0.000 0.836 354 E CB 0.041 29.737 29.700 -0.006 0.000 0.763 354 E HN 0.757 nan 8.360 nan 0.000 0.491 355 E N -0.131 120.069 120.200 -0.000 0.000 2.076 355 E HA -0.155 4.195 4.350 0.000 0.000 0.190 355 E C 1.049 177.652 176.600 0.005 0.000 0.979 355 E CA 1.044 57.444 56.400 0.001 0.000 0.807 355 E CB 0.010 29.710 29.700 0.001 0.000 0.761 355 E HN 0.225 nan 8.360 nan 0.000 0.454 356 D N 0.610 121.016 120.400 0.009 0.000 2.133 356 D HA -0.166 4.475 4.640 0.000 0.000 0.195 356 D C 2.067 178.379 176.300 0.020 0.000 0.997 356 D CA 1.167 55.178 54.000 0.018 0.000 0.840 356 D CB -0.243 40.571 40.800 0.022 0.000 0.947 356 D HN 0.129 nan 8.370 nan 0.000 0.452 357 V N 1.037 120.958 119.914 0.012 0.000 2.490 357 V HA -0.204 3.916 4.120 0.000 0.000 0.250 357 V C 2.414 178.510 176.094 0.003 0.000 1.061 357 V CA 1.786 64.091 62.300 0.008 0.000 1.064 357 V CB -0.703 31.118 31.823 -0.003 0.000 0.670 357 V HN 0.235 nan 8.190 nan 0.000 0.461 358 T N -0.447 114.107 114.554 -0.001 0.000 2.732 358 T HA -0.126 4.224 4.350 0.000 0.000 0.261 358 T C 1.928 176.623 174.700 -0.008 0.000 1.040 358 T CA 1.195 63.291 62.100 -0.006 0.000 1.145 358 T CB -0.141 68.723 68.868 -0.007 0.000 0.866 358 T HN 0.454 nan 8.240 nan 0.000 0.427 359 K N 1.459 121.857 120.400 -0.003 0.000 2.001 359 K HA -0.092 4.228 4.320 0.000 0.000 0.214 359 K C 2.720 179.311 176.600 -0.015 0.000 1.050 359 K CA 1.373 57.657 56.287 -0.006 0.000 0.934 359 K CB -0.550 31.953 32.500 0.005 0.000 0.718 359 K HN 0.273 nan 8.250 nan 0.000 0.443 360 A N 2.197 125.023 122.820 0.009 0.000 1.870 360 A HA -0.309 4.011 4.320 0.000 0.000 0.219 360 A C 1.991 179.541 177.584 -0.058 0.000 1.224 360 A CA 2.384 54.433 52.037 0.019 0.000 0.650 360 A CB -0.750 18.305 19.000 0.092 0.000 0.836 360 A HN 0.306 nan 8.150 nan 0.000 0.454 361 K N -0.528 119.856 120.400 -0.026 0.000 2.189 361 K HA -0.234 4.086 4.320 0.000 0.000 0.207 361 K C 1.769 178.328 176.600 -0.068 0.000 1.046 361 K CA 1.708 57.971 56.287 -0.040 0.000 0.928 361 K CB -0.350 32.136 32.500 -0.025 0.000 0.720 361 K HN 0.583 nan 8.250 nan 0.000 0.458 362 N N 0.846 119.506 118.700 -0.068 0.000 2.148 362 N HA -0.120 4.620 4.740 0.000 0.000 0.186 362 N C 1.803 177.248 175.510 -0.108 0.000 1.031 362 N CA 1.098 54.109 53.050 -0.065 0.000 0.848 362 N CB -0.300 38.162 38.487 -0.043 0.000 1.005 362 N HN 0.318 nan 8.380 nan 0.000 0.427 363 Q N 0.465 120.168 119.800 -0.162 0.000 2.152 363 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 363 Q C 1.957 177.708 176.000 -0.415 0.000 0.985 363 Q CA 1.005 56.659 55.803 -0.247 0.000 0.863 363 Q CB -0.188 28.395 28.738 -0.259 0.000 0.904 363 Q HN 0.186 nan 8.270 nan 0.000 0.422 364 L N 1.167 122.073 121.223 -0.529 0.000 2.056 364 L HA -0.134 4.206 4.340 0.000 0.000 0.207 364 L C 1.798 178.632 176.870 -0.060 0.000 1.078 364 L CA 1.833 56.451 54.840 -0.370 0.000 0.749 364 L CB -0.272 41.686 42.059 -0.169 0.000 0.901 364 L HN -0.006 nan 8.230 nan 0.000 0.433 365 K N -0.653 119.721 120.400 -0.043 0.000 2.057 365 K HA -0.046 4.274 4.320 0.000 0.000 0.206 365 K C 2.064 178.721 176.600 0.096 0.000 1.050 365 K CA 1.188 57.505 56.287 0.049 0.000 0.935 365 K CB -0.319 32.189 32.500 0.013 0.000 0.715 365 K HN 0.432 nan 8.250 nan 0.000 0.439 366 A N 1.123 123.953 122.820 0.017 0.000 1.845 366 A HA -0.161 4.159 4.320 0.000 0.000 0.215 366 A C 2.300 179.898 177.584 0.022 0.000 1.195 366 A CA 2.073 54.117 52.037 0.013 0.000 0.616 366 A CB -1.182 17.807 19.000 -0.019 0.000 0.832 366 A HN 0.215 nan 8.150 nan 0.000 0.443 367 T N -1.283 113.278 114.554 0.012 0.000 2.653 367 T HA -0.250 4.101 4.350 0.000 0.000 0.268 367 T C 1.762 176.499 174.700 0.062 0.000 1.035 367 T CA 2.070 64.196 62.100 0.043 0.000 1.154 367 T CB -0.518 68.401 68.868 0.085 0.000 0.862 367 T HN 0.582 nan 8.240 nan 0.000 0.441 368 Y N 1.497 121.798 120.300 0.002 0.000 2.097 368 Y HA -0.112 4.438 4.550 0.000 0.000 0.282 368 Y C 2.069 177.972 175.900 0.005 0.000 1.152 368 Y CA 1.260 59.366 58.100 0.009 0.000 1.136 368 Y CB -0.618 37.844 38.460 0.003 0.000 0.975 368 Y HN 0.146 nan 8.280 nan 0.000 0.498 369 L N -0.419 120.733 121.223 -0.118 0.000 2.131 369 L HA -0.261 4.079 4.340 0.000 0.000 0.210 369 L C 2.477 179.251 176.870 -0.160 0.000 1.092 369 L CA 1.581 56.313 54.840 -0.181 0.000 0.759 369 L CB -0.407 41.658 42.059 0.010 0.000 0.903 369 L HN 0.396 nan 8.230 nan 0.000 0.435 370 M N -1.413 118.128 119.600 -0.098 0.000 2.200 370 M HA -0.093 4.387 4.480 0.000 0.000 0.265 370 M C 1.581 177.824 176.300 -0.094 0.000 1.066 370 M CA 1.002 56.259 55.300 -0.071 0.000 1.127 370 M CB -0.140 32.439 32.600 -0.035 0.000 1.379 370 M HN 0.017 nan 8.290 nan 0.000 0.420 371 S N 0.640 116.268 115.700 -0.120 0.000 3.110 371 S HA 0.115 4.585 4.470 0.000 0.000 0.253 371 S C 0.769 175.271 174.600 -0.164 0.000 1.074 371 S CA 0.128 58.258 58.200 -0.116 0.000 1.201 371 S CB -0.461 62.686 63.200 -0.087 0.000 0.889 371 S HN 0.261 nan 8.310 nan 0.000 0.490 372 V N -0.727 119.093 119.914 -0.157 0.000 3.686 372 V HA 0.104 4.224 4.120 0.000 0.000 0.299 372 V C 1.125 177.169 176.094 -0.083 0.000 1.607 372 V CA -0.301 61.914 62.300 -0.142 0.000 1.172 372 V CB 0.051 31.739 31.823 -0.224 0.000 0.972 372 V HN 0.353 nan 8.190 nan 0.000 0.442 373 E N 0.744 120.903 120.200 -0.068 0.000 2.285 373 E HA 0.006 4.356 4.350 0.000 0.000 0.194 373 E C 0.517 177.101 176.600 -0.028 0.000 0.997 373 E CA 0.742 57.118 56.400 -0.040 0.000 0.845 373 E CB 0.110 29.790 29.700 -0.034 0.000 0.782 373 E HN 0.491 nan 8.360 nan 0.000 0.491 374 T N 1.121 115.655 114.554 -0.033 0.000 2.851 374 T HA 0.224 4.574 4.350 0.000 0.000 0.298 374 T C 1.167 175.855 174.700 -0.019 0.000 0.977 374 T CA 0.085 62.170 62.100 -0.025 0.000 1.126 374 T CB 1.531 70.380 68.868 -0.033 0.000 0.916 374 T HN 0.121 nan 8.240 nan 0.000 0.529 375 A N 2.963 125.779 122.820 -0.007 0.000 1.917 375 A HA -0.209 4.111 4.320 0.000 0.000 0.219 375 A C 2.265 179.848 177.584 -0.001 0.000 1.182 375 A CA 1.811 53.849 52.037 0.002 0.000 0.633 375 A CB -0.681 18.326 19.000 0.012 0.000 0.819 375 A HN 0.889 nan 8.150 nan 0.000 0.448 376 Q N -0.731 119.058 119.800 -0.018 0.000 2.050 376 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 376 Q C 2.147 178.117 176.000 -0.050 0.000 0.980 376 Q CA 1.778 57.550 55.803 -0.051 0.000 0.840 376 Q CB -0.570 28.110 28.738 -0.098 0.000 0.898 376 Q HN 0.577 nan 8.270 nan 0.000 0.424 377 G N 1.471 110.242 108.800 -0.049 0.000 2.440 377 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 377 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 377 G C 1.372 176.255 174.900 -0.028 0.000 1.154 377 G CA 0.986 46.057 45.100 -0.047 0.000 0.767 377 G HN 0.385 nan 8.290 nan 0.000 0.552 378 L N 0.055 121.266 121.223 -0.020 0.000 2.005 378 L HA 0.129 4.469 4.340 0.000 0.000 0.207 378 L C 2.587 179.472 176.870 0.026 0.000 1.072 378 L CA 1.662 56.498 54.840 -0.006 0.000 0.744 378 L CB -0.697 41.358 42.059 -0.006 0.000 0.895 378 L HN 0.184 nan 8.230 nan 0.000 0.433 379 L N 0.260 121.512 121.223 0.047 0.000 2.043 379 L HA -0.279 4.061 4.340 0.000 0.000 0.212 379 L C 2.290 179.265 176.870 0.174 0.000 1.075 379 L CA 2.304 57.207 54.840 0.105 0.000 0.752 379 L CB -0.938 41.214 42.059 0.155 0.000 0.891 379 L HN 0.595 nan 8.230 nan 0.000 0.432 380 N N -0.641 118.163 118.700 0.173 0.000 2.058 380 N HA -0.270 4.470 4.740 0.000 0.000 0.191 380 N C 1.879 177.466 175.510 0.128 0.000 1.037 380 N CA 1.609 54.801 53.050 0.235 0.000 0.848 380 N CB -0.238 38.303 38.487 0.091 0.000 1.021 380 N HN 0.442 nan 8.380 nan 0.000 0.422 381 E N 0.531 120.769 120.200 0.064 0.000 2.033 381 E HA -0.147 4.203 4.350 0.000 0.000 0.199 381 E C 1.977 178.595 176.600 0.030 0.000 1.011 381 E CA 1.581 58.015 56.400 0.056 0.000 0.815 381 E CB -0.577 29.152 29.700 0.048 0.000 0.755 381 E HN 0.529 nan 8.360 nan 0.000 0.451 382 I N 0.057 120.639 120.570 0.020 0.000 2.052 382 I HA -0.289 3.881 4.170 0.000 0.000 0.235 382 I C 2.444 178.458 176.117 -0.172 0.000 1.046 382 I CA 1.600 62.899 61.300 -0.001 0.000 1.308 382 I CB -0.973 37.015 38.000 -0.020 0.000 1.031 382 I HN 0.337 nan 8.210 nan 0.000 0.395 383 G N -0.133 108.396 108.800 -0.452 0.000 2.475 383 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 383 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 383 G C 1.738 176.245 174.900 -0.655 0.000 1.125 383 G CA 1.141 45.606 45.100 -1.058 0.000 0.755 383 G HN 0.389 nan 8.290 nan 0.000 0.565 384 S N 0.336 115.881 115.700 -0.257 0.000 2.368 384 S HA -0.081 4.389 4.470 0.000 0.000 0.225 384 S C 2.173 176.757 174.600 -0.025 0.000 1.030 384 S CA 1.419 59.610 58.200 -0.016 0.000 0.999 384 S CB -0.168 63.076 63.200 0.073 0.000 0.844 384 S HN 0.618 nan 8.310 nan 0.000 0.459 385 E N 1.403 121.576 120.200 -0.045 0.000 2.016 385 E HA -0.023 4.327 4.350 0.000 0.000 0.190 385 E C 2.334 178.916 176.600 -0.031 0.000 0.985 385 E CA 0.903 57.290 56.400 -0.022 0.000 0.802 385 E CB -0.315 29.375 29.700 -0.018 0.000 0.762 385 E HN 0.469 nan 8.360 nan 0.000 0.448 386 A N 0.797 123.579 122.820 -0.064 0.000 2.255 386 A HA -0.174 4.147 4.320 0.000 0.000 0.218 386 A C 1.971 179.527 177.584 -0.047 0.000 1.175 386 A CA 1.060 53.062 52.037 -0.058 0.000 0.682 386 A CB -0.296 18.645 19.000 -0.097 0.000 0.784 386 A HN 0.189 nan 8.150 nan 0.000 0.482 387 L N -2.118 119.080 121.223 -0.041 0.000 2.433 387 L HA 0.364 4.704 4.340 0.000 0.000 0.200 387 L C 1.322 178.214 176.870 0.038 0.000 1.059 387 L CA 0.935 55.781 54.840 0.011 0.000 0.835 387 L CB 0.105 42.194 42.059 0.051 0.000 1.076 387 L HN 0.242 nan 8.230 nan 0.000 0.481 388 L N -0.798 120.451 121.223 0.043 0.000 2.851 388 L HA 0.257 4.597 4.340 0.000 0.000 0.237 388 L C 0.831 177.724 176.870 0.038 0.000 1.257 388 L CA 0.464 55.337 54.840 0.055 0.000 1.061 388 L CB -0.056 42.046 42.059 0.072 0.000 1.372 388 L HN 0.386 nan 8.230 nan 0.000 0.493 389 S N -1.156 114.559 115.700 0.026 0.000 6.311 389 S HA 0.282 4.752 4.470 0.000 0.000 0.100 389 S C 0.850 175.460 174.600 0.017 0.000 1.196 389 S CA 0.691 58.902 58.200 0.019 0.000 1.375 389 S CB 0.135 63.342 63.200 0.010 0.000 1.972 389 S HN 0.279 nan 8.310 nan 0.000 0.578 390 G N 1.086 109.894 108.800 0.012 0.000 2.164 390 G HA2 0.033 3.993 3.960 0.000 0.000 0.154 390 G HA3 0.033 3.993 3.960 0.000 0.000 0.154 390 G C 0.151 175.063 174.900 0.020 0.000 1.014 390 G CA 0.739 45.847 45.100 0.014 0.000 0.683 390 G HN 1.648 nan 8.290 nan 0.000 0.500 391 T N -2.773 111.795 114.554 0.023 0.000 2.841 391 T HA 0.663 5.013 4.350 0.000 0.000 0.296 391 T C -1.096 173.645 174.700 0.067 0.000 1.166 391 T CA -0.525 61.599 62.100 0.040 0.000 1.007 391 T CB 2.459 71.341 68.868 0.024 0.000 1.253 391 T HN 0.575 nan 8.240 nan 0.000 0.511 392 H N 1.077 120.141 119.070 -0.010 0.000 2.725 392 H HA 0.335 4.891 4.556 0.000 0.000 0.283 392 H C -0.700 174.630 175.328 0.003 0.000 1.110 392 H CA -0.343 55.702 56.048 -0.004 0.000 1.289 392 H CB 0.389 30.147 29.762 -0.006 0.000 1.400 392 H HN 0.734 nan 8.280 nan 0.000 0.493 393 T N 4.133 118.498 114.554 -0.314 0.000 2.792 393 T HA 0.159 4.509 4.350 0.000 0.000 0.286 393 T C 0.770 175.261 174.700 -0.347 0.000 0.970 393 T CA 0.183 62.140 62.100 -0.238 0.000 1.187 393 T CB -0.077 68.679 68.868 -0.186 0.000 0.915 393 T HN 0.666 nan 8.240 nan 0.000 0.529 394 A N 7.361 130.125 122.820 -0.095 0.000 2.507 394 A HA 0.249 4.569 4.320 0.000 0.000 0.235 394 A C -0.200 177.378 177.584 -0.010 0.000 1.070 394 A CA -1.132 50.925 52.037 0.034 0.000 0.768 394 A CB 0.024 19.070 19.000 0.076 0.000 1.011 394 A HN 0.567 nan 8.150 nan 0.000 0.502 395 P HA -0.201 nan 4.420 nan 0.000 0.216 395 P C 1.443 178.755 177.300 0.021 0.000 1.150 395 P CA 2.040 65.195 63.100 0.093 0.000 0.837 395 P CB -0.135 31.677 31.700 0.188 0.000 0.786 396 S N -0.540 115.175 115.700 0.025 0.000 2.402 396 S HA -0.080 4.390 4.470 0.000 0.000 0.229 396 S C 2.095 176.679 174.600 -0.027 0.000 1.021 396 S CA 1.219 59.421 58.200 0.004 0.000 0.974 396 S CB -1.727 61.481 63.200 0.014 0.000 0.800 396 S HN -0.004 nan 8.310 nan 0.000 0.484 397 V N 1.603 121.496 119.914 -0.036 0.000 2.307 397 V HA -0.083 4.037 4.120 0.000 0.000 0.245 397 V C 2.608 178.647 176.094 -0.091 0.000 1.045 397 V CA 1.488 63.755 62.300 -0.054 0.000 1.024 397 V CB -0.940 30.852 31.823 -0.052 0.000 0.651 397 V HN 0.506 nan 8.190 nan 0.000 0.449 398 V N 0.356 120.186 119.914 -0.140 0.000 2.490 398 V HA -0.216 3.904 4.120 0.000 0.000 0.250 398 V C 2.503 178.477 176.094 -0.201 0.000 1.061 398 V CA 2.198 64.365 62.300 -0.221 0.000 1.064 398 V CB -0.385 31.192 31.823 -0.410 0.000 0.670 398 V HN 0.492 nan 8.190 nan 0.000 0.461 399 A N -0.730 122.002 122.820 -0.147 0.000 1.873 399 A HA -0.259 4.061 4.320 0.000 0.000 0.215 399 A C 2.243 179.783 177.584 -0.072 0.000 1.186 399 A CA 1.877 53.855 52.037 -0.099 0.000 0.616 399 A CB -0.766 18.204 19.000 -0.049 0.000 0.823 399 A HN 0.682 nan 8.150 nan 0.000 0.442 400 Q N -0.478 119.286 119.800 -0.059 0.000 2.152 400 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 400 Q C 1.660 177.630 176.000 -0.050 0.000 0.985 400 Q CA 1.826 57.602 55.803 -0.045 0.000 0.863 400 Q CB -0.070 28.646 28.738 -0.037 0.000 0.904 400 Q HN 0.445 nan 8.270 nan 0.000 0.422 401 K N 0.525 120.886 120.400 -0.065 0.000 2.103 401 K HA -0.083 4.237 4.320 0.000 0.000 0.204 401 K C 2.095 178.659 176.600 -0.060 0.000 1.052 401 K CA 0.542 56.792 56.287 -0.061 0.000 0.945 401 K CB -0.415 32.041 32.500 -0.073 0.000 0.722 401 K HN 0.348 nan 8.250 nan 0.000 0.443 402 I N 3.083 123.609 120.570 -0.073 0.000 2.110 402 I HA -0.262 3.908 4.170 0.000 0.000 0.236 402 I C 1.120 177.212 176.117 -0.042 0.000 1.068 402 I CA 2.028 63.292 61.300 -0.059 0.000 1.333 402 I CB -0.856 37.098 38.000 -0.076 0.000 1.054 402 I HN 0.154 nan 8.210 nan 0.000 0.402 403 D N 0.562 120.937 120.400 -0.041 0.000 2.263 403 D HA -0.155 4.485 4.640 0.000 0.000 0.208 403 D C 1.601 177.883 176.300 -0.030 0.000 0.971 403 D CA 1.024 55.005 54.000 -0.031 0.000 0.867 403 D CB -0.885 39.898 40.800 -0.028 0.000 0.929 403 D HN 0.402 nan 8.370 nan 0.000 0.492 404 S N -0.088 115.592 115.700 -0.033 0.000 3.033 404 S HA 0.245 4.715 4.470 0.000 0.000 0.258 404 S C 0.082 174.661 174.600 -0.035 0.000 1.207 404 S CA -0.759 57.422 58.200 -0.032 0.000 1.248 404 S CB -0.695 62.486 63.200 -0.032 0.000 0.932 404 S HN 0.066 nan 8.310 nan 0.000 0.472 405 V N 2.626 122.519 119.914 -0.035 0.000 2.376 405 V HA 0.401 4.521 4.120 0.000 0.000 0.287 405 V C 0.786 176.856 176.094 -0.040 0.000 1.015 405 V CA -0.598 61.677 62.300 -0.042 0.000 0.834 405 V CB 1.208 33.005 31.823 -0.043 0.000 1.001 405 V HN 0.727 nan 8.190 nan 0.000 0.428 406 T N 1.445 115.973 114.554 -0.044 0.000 2.802 406 T HA 0.042 4.392 4.350 0.000 0.000 0.305 406 T C 1.510 176.184 174.700 -0.043 0.000 1.053 406 T CA 0.630 62.706 62.100 -0.039 0.000 1.058 406 T CB 1.222 70.067 68.868 -0.039 0.000 0.988 406 T HN 0.654 nan 8.240 nan 0.000 0.539 407 S N 0.857 116.537 115.700 -0.034 0.000 2.447 407 S HA -0.022 4.448 4.470 0.000 0.000 0.233 407 S C 2.209 176.785 174.600 -0.041 0.000 1.006 407 S CA 1.002 59.184 58.200 -0.031 0.000 0.957 407 S CB -1.080 62.107 63.200 -0.021 0.000 0.773 407 S HN 0.914 nan 8.310 nan 0.000 0.507 408 A N 1.508 124.301 122.820 -0.044 0.000 1.872 408 A HA -0.021 4.299 4.320 0.000 0.000 0.214 408 A C 1.947 179.486 177.584 -0.075 0.000 1.187 408 A CA 1.443 53.450 52.037 -0.050 0.000 0.614 408 A CB -0.826 18.149 19.000 -0.042 0.000 0.826 408 A HN 0.537 nan 8.150 nan 0.000 0.442 409 D N 0.043 120.391 120.400 -0.086 0.000 2.133 409 D HA -0.155 4.485 4.640 0.000 0.000 0.192 409 D C 2.095 178.288 176.300 -0.178 0.000 1.001 409 D CA 1.769 55.693 54.000 -0.128 0.000 0.844 409 D CB -0.373 40.355 40.800 -0.119 0.000 0.944 409 D HN 0.208 nan 8.370 nan 0.000 0.447 410 V N 0.959 120.789 119.914 -0.139 0.000 2.295 410 V HA -0.217 3.903 4.120 0.000 0.000 0.246 410 V C 2.701 178.715 176.094 -0.132 0.000 1.049 410 V CA 1.162 63.375 62.300 -0.145 0.000 1.024 410 V CB -0.476 31.303 31.823 -0.074 0.000 0.648 410 V HN 0.059 nan 8.190 nan 0.000 0.447 411 V N 0.662 120.525 119.914 -0.086 0.000 2.594 411 V HA -0.198 3.922 4.120 0.000 0.000 0.253 411 V C 2.220 178.271 176.094 -0.071 0.000 1.069 411 V CA 1.765 64.031 62.300 -0.057 0.000 1.082 411 V CB -0.917 30.885 31.823 -0.035 0.000 0.680 411 V HN 0.573 nan 8.190 nan 0.000 0.469 412 N N 0.839 119.472 118.700 -0.111 0.000 2.135 412 N HA -0.053 4.687 4.740 0.000 0.000 0.186 412 N C 2.056 177.462 175.510 -0.174 0.000 1.027 412 N CA 1.588 54.568 53.050 -0.117 0.000 0.849 412 N CB -0.494 37.918 38.487 -0.126 0.000 1.002 412 N HN 0.454 nan 8.380 nan 0.000 0.425 413 A N 1.550 124.160 122.820 -0.350 0.000 1.884 413 A HA -0.157 4.163 4.320 0.000 0.000 0.219 413 A C 2.415 179.871 177.584 -0.213 0.000 1.197 413 A CA 2.510 54.155 52.037 -0.653 0.000 0.637 413 A CB -1.102 17.218 19.000 -1.134 0.000 0.827 413 A HN 0.343 nan 8.150 nan 0.000 0.450 414 A N -0.570 122.182 122.820 -0.113 0.000 1.917 414 A HA -0.231 4.089 4.320 0.000 0.000 0.219 414 A C 2.124 179.801 177.584 0.156 0.000 1.182 414 A CA 2.076 54.153 52.037 0.068 0.000 0.633 414 A CB -0.511 18.515 19.000 0.044 0.000 0.819 414 A HN 0.594 nan 8.150 nan 0.000 0.448 415 K N -0.539 119.904 120.400 0.071 0.000 2.009 415 K HA -0.194 4.126 4.320 0.000 0.000 0.210 415 K C 2.216 178.883 176.600 0.112 0.000 1.049 415 K CA 1.727 58.062 56.287 0.080 0.000 0.929 415 K CB -0.215 32.299 32.500 0.024 0.000 0.714 415 K HN 0.500 nan 8.250 nan 0.000 0.440 416 K N 0.304 120.762 120.400 0.098 0.000 2.173 416 K HA -0.224 4.096 4.320 0.000 0.000 0.207 416 K C 1.953 178.656 176.600 0.171 0.000 1.046 416 K CA 1.498 57.859 56.287 0.122 0.000 0.929 416 K CB -0.159 32.443 32.500 0.169 0.000 0.720 416 K HN 0.099 nan 8.250 nan 0.000 0.453 417 F N 0.459 120.494 119.950 0.142 0.000 2.118 417 F HA -0.135 4.392 4.527 0.000 0.000 0.293 417 F C 1.717 177.591 175.800 0.123 0.000 1.102 417 F CA 1.123 59.229 58.000 0.176 0.000 1.247 417 F CB -0.146 39.030 39.000 0.294 0.000 1.017 417 F HN -0.211 nan 8.300 nan 0.000 0.475 418 V N 0.419 120.519 119.914 0.310 0.000 2.594 418 V HA -0.266 3.854 4.120 0.000 0.000 0.253 418 V C 2.368 178.470 176.094 0.014 0.000 1.069 418 V CA 1.862 64.270 62.300 0.179 0.000 1.082 418 V CB -1.444 30.500 31.823 0.202 0.000 0.680 418 V HN 0.571 nan 8.190 nan 0.000 0.469 419 S N 0.349 116.048 115.700 -0.001 0.000 2.427 419 S HA 0.200 4.670 4.470 0.000 0.000 0.224 419 S C 1.505 176.052 174.600 -0.088 0.000 1.047 419 S CA 0.422 58.603 58.200 -0.032 0.000 0.953 419 S CB -0.689 62.506 63.200 -0.008 0.000 0.824 419 S HN 0.599 nan 8.310 nan 0.000 0.502 420 G N 1.733 110.460 108.800 -0.120 0.000 2.771 420 G HA2 0.178 4.138 3.960 0.000 0.000 0.242 420 G HA3 0.178 4.138 3.960 0.000 0.000 0.242 420 G C -0.468 174.301 174.900 -0.218 0.000 1.233 420 G CA -0.472 44.520 45.100 -0.180 0.000 0.858 420 G HN 0.526 nan 8.290 nan 0.000 0.591 421 K N 0.578 120.839 120.400 -0.233 0.000 2.312 421 K HA 0.203 4.523 4.320 0.000 0.000 0.287 421 K C 0.007 176.518 176.600 -0.149 0.000 1.062 421 K CA -0.248 55.942 56.287 -0.163 0.000 0.934 421 K CB 0.291 32.729 32.500 -0.103 0.000 1.027 421 K HN 0.306 nan 8.250 nan 0.000 0.478 422 K N 1.370 121.682 120.400 -0.146 0.000 2.118 422 K HA 0.203 4.523 4.320 0.000 0.000 0.264 422 K C -0.671 175.875 176.600 -0.090 0.000 1.000 422 K CA -0.478 55.722 56.287 -0.145 0.000 0.929 422 K CB 1.554 33.920 32.500 -0.224 0.000 1.021 422 K HN 0.626 nan 8.250 nan 0.000 0.463 423 S N 1.655 117.292 115.700 -0.104 0.000 2.521 423 S HA 0.621 5.091 4.470 0.000 0.000 0.295 423 S C -0.782 173.691 174.600 -0.211 0.000 1.098 423 S CA -1.007 57.066 58.200 -0.210 0.000 0.999 423 S CB 1.113 64.138 63.200 -0.292 0.000 1.034 423 S HN 0.624 nan 8.310 nan 0.000 0.483 424 M N 2.823 122.285 119.600 -0.231 0.000 2.464 424 M HA 0.747 5.227 4.480 0.000 0.000 0.308 424 M C -1.811 174.356 176.300 -0.222 0.000 1.127 424 M CA -0.712 54.454 55.300 -0.224 0.000 0.913 424 M CB 2.079 34.568 32.600 -0.185 0.000 1.689 424 M HN 1.004 nan 8.290 nan 0.000 0.445 425 A N 3.403 126.082 122.820 -0.235 0.000 2.353 425 A HA 0.912 5.232 4.320 0.000 0.000 0.299 425 A C -1.402 176.048 177.584 -0.224 0.000 1.089 425 A CA -0.411 51.505 52.037 -0.202 0.000 0.736 425 A CB 1.144 20.040 19.000 -0.172 0.000 1.195 425 A HN 1.020 nan 8.150 nan 0.000 0.447 426 A N 1.578 124.287 122.820 -0.185 0.000 2.515 426 A HA 0.977 5.298 4.320 0.000 0.000 0.296 426 A C -0.305 177.203 177.584 -0.127 0.000 1.094 426 A CA -0.036 51.897 52.037 -0.172 0.000 0.718 426 A CB 1.528 20.422 19.000 -0.175 0.000 1.307 426 A HN 2.229 nan 8.150 nan 0.000 0.408 427 S N -0.270 115.371 115.700 -0.099 0.000 2.562 427 S HA 0.880 5.350 4.470 0.000 0.000 0.274 427 S C -0.183 174.381 174.600 -0.059 0.000 1.160 427 S CA 0.165 58.312 58.200 -0.088 0.000 0.933 427 S CB 1.006 64.135 63.200 -0.118 0.000 1.100 427 S HN 2.766 nan 8.310 nan 0.000 0.468 428 G N 1.466 110.246 108.800 -0.034 0.000 2.334 428 G HA2 0.163 4.123 3.960 0.000 0.000 0.249 428 G HA3 0.163 4.123 3.960 0.000 0.000 0.249 428 G C -1.893 173.025 174.900 0.031 0.000 1.327 428 G CA -0.315 44.803 45.100 0.031 0.000 0.979 428 G HN 0.771 nan 8.290 nan 0.000 0.471 429 D N 1.704 122.131 120.400 0.046 0.000 2.558 429 D HA 0.271 4.911 4.640 0.000 0.000 0.221 429 D C 1.728 178.026 176.300 -0.004 0.000 1.143 429 D CA -0.310 53.702 54.000 0.021 0.000 1.010 429 D CB -0.138 40.675 40.800 0.022 0.000 1.068 429 D HN 0.360 nan 8.370 nan 0.000 0.511 430 L N 1.700 122.908 121.223 -0.025 0.000 2.721 430 L HA 0.024 4.364 4.340 0.000 0.000 0.241 430 L C 2.410 179.253 176.870 -0.046 0.000 1.168 430 L CA 0.213 55.017 54.840 -0.060 0.000 0.866 430 L CB -0.401 41.591 42.059 -0.112 0.000 0.996 430 L HN 0.310 nan 8.230 nan 0.000 0.451 431 G N -0.228 108.562 108.800 -0.016 0.000 2.517 431 G HA2 -0.242 3.718 3.960 0.000 0.000 0.222 431 G HA3 -0.242 3.718 3.960 0.000 0.000 0.222 431 G C 1.379 176.284 174.900 0.009 0.000 1.109 431 G CA 1.062 46.164 45.100 0.003 0.000 0.746 431 G HN 0.456 nan 8.290 nan 0.000 0.576 432 S N -0.539 115.156 115.700 -0.008 0.000 2.846 432 S HA 0.215 4.685 4.470 0.000 0.000 0.249 432 S C 0.194 174.792 174.600 -0.004 0.000 1.028 432 S CA -0.377 57.823 58.200 0.001 0.000 1.043 432 S CB 0.972 64.162 63.200 -0.017 0.000 0.990 432 S HN 0.203 nan 8.310 nan 0.000 0.564 433 T N 5.529 120.062 114.554 -0.034 0.000 2.771 433 T HA 0.346 4.696 4.350 0.000 0.000 0.291 433 T C -2.341 172.311 174.700 -0.080 0.000 0.954 433 T CA -1.176 60.885 62.100 -0.065 0.000 1.045 433 T CB 1.098 69.897 68.868 -0.114 0.000 0.917 433 T HN 0.134 nan 8.240 nan 0.000 0.484 434 P HA 0.290 nan 4.420 nan 0.000 0.274 434 P C -0.815 176.480 177.300 -0.008 0.000 1.237 434 P CA -0.509 62.630 63.100 0.064 0.000 0.793 434 P CB 0.588 32.336 31.700 0.080 0.000 0.977 435 F N 0.619 120.565 119.950 -0.007 0.000 2.377 435 F HA 0.113 4.640 4.527 0.000 0.000 0.328 435 F C 1.919 177.707 175.800 -0.020 0.000 1.094 435 F CA -0.517 57.471 58.000 -0.019 0.000 1.093 435 F CB 0.164 39.153 39.000 -0.018 0.000 1.214 435 F HN 0.117 nan 8.300 nan 0.000 0.518 436 L N 2.039 123.339 121.223 0.129 0.000 2.103 436 L HA -0.265 4.075 4.340 0.000 0.000 0.215 436 L C 1.906 178.814 176.870 0.065 0.000 1.080 436 L CA 2.052 56.923 54.840 0.051 0.000 0.764 436 L CB -0.977 41.075 42.059 -0.011 0.000 0.890 436 L HN 0.753 nan 8.230 nan 0.000 0.435 437 D N -1.916 118.538 120.400 0.091 0.000 2.349 437 D HA -0.115 4.525 4.640 0.000 0.000 0.224 437 D C 1.205 177.537 176.300 0.054 0.000 1.029 437 D CA 0.633 54.663 54.000 0.050 0.000 0.879 437 D CB -0.312 40.500 40.800 0.021 0.000 0.906 437 D HN 0.570 nan 8.370 nan 0.000 0.528 438 E N -0.196 120.058 120.200 0.090 0.000 2.526 438 E HA 0.226 4.576 4.350 0.000 0.000 0.208 438 E C 0.458 177.103 176.600 0.074 0.000 0.997 438 E CA -0.222 56.225 56.400 0.079 0.000 0.961 438 E CB 0.867 30.635 29.700 0.113 0.000 1.030 438 E HN 0.321 nan 8.360 nan 0.000 0.483 439 L N 0.000 121.270 121.223 0.078 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.893 54.840 0.089 0.000 0.813 439 L CB 0.000 42.133 42.059 0.124 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502