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 2ax3_1_A DATA FIRST_RESID -1 DATA SEQUENCE HHXKEIDELT IKEYGVDSRI LXERAGISVV LAXEEELGNL SDYRFLVLCG DATA SEQUENCE GGNNGGDGFV VARNLLGVVK DVLVVFLGKK KTPDCEYNYG LYKKFGGKVV DATA SEQUENCE EQFEPSILNE FDVVVDAIFG TGLRGEITGE YAEIINLVNK SGKVVVSVDV DATA SEQUENCE PSGIDSNTGK VLRTAVKADL TVTFGVPKIG HILFPGRDLT GKLKVANIGH DATA SEQUENCE PVHLINSINR YVITREXVRS LLPERPRDSH KGTYGKVLII AGSRLYSGAP DATA SEQUENCE VLSGXGSLKV GTGLVKLAVP FPQNLIATSR FPELISVPID TEKGFFSLQN DATA SEQUENCE LQECLELSKD VDVVAIGPGL GNNEHVREFV NEFLKTLEKP AVIDADAINV DATA SEQUENCE LDTSVLKERK SPAVLTPHPG EXARLVKKTV GDVKYNYELA EEFAKENDCV DATA SEQUENCE LVLKSATTIV TDGEKTLFNI TGNTGLSKGG SGDVLTGXIA GFIAQGLSPL DATA SEQUENCE EASTVSVYLH GFAAELFEQD ERGLTASELL RLIPEAIRRL K 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 -1 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.395 175.328 0.112 0.000 0.993 -1 H CA 0.000 56.081 56.048 0.054 0.000 1.023 -1 H CB 0.000 29.802 29.762 0.067 0.000 1.292 3 E N 0.521 120.443 120.200 -0.463 0.000 2.204 3 E HA -0.047 4.305 4.350 0.003 0.000 0.194 3 E C 1.646 178.185 176.600 -0.101 0.000 0.989 3 E CA 1.628 57.935 56.400 -0.157 0.000 0.824 3 E CB -0.178 29.488 29.700 -0.057 0.000 0.756 3 E HN 0.463 nan 8.360 nan 0.000 0.477 4 I N 1.063 121.529 120.570 -0.173 0.000 2.400 4 I HA -0.133 4.038 4.170 0.003 0.000 0.248 4 I C 1.884 177.999 176.117 -0.003 0.000 1.109 4 I CA 0.880 62.110 61.300 -0.117 0.000 1.425 4 I CB -0.763 37.087 38.000 -0.251 0.000 1.094 4 I HN 0.154 nan 8.210 nan 0.000 0.425 5 D N 0.399 120.796 120.400 -0.004 0.000 2.116 5 D HA -0.201 4.440 4.640 0.003 0.000 0.193 5 D C 2.253 178.607 176.300 0.090 0.000 0.998 5 D CA 1.777 55.860 54.000 0.138 0.000 0.836 5 D CB -0.476 40.383 40.800 0.098 0.000 0.951 5 D HN 0.427 nan 8.370 nan 0.000 0.449 6 E N 0.063 120.289 120.200 0.044 0.000 2.077 6 E HA -0.101 4.251 4.350 0.003 0.000 0.193 6 E C 2.481 179.128 176.600 0.078 0.000 0.989 6 E CA 0.577 57.007 56.400 0.049 0.000 0.800 6 E CB -0.581 29.139 29.700 0.033 0.000 0.746 6 E HN 0.386 nan 8.360 nan 0.000 0.452 7 L N 0.200 121.482 121.223 0.098 0.000 2.046 7 L HA -0.118 4.224 4.340 0.003 0.000 0.208 7 L C 2.960 179.993 176.870 0.272 0.000 1.077 7 L CA 1.931 56.870 54.840 0.164 0.000 0.747 7 L CB -0.717 41.455 42.059 0.188 0.000 0.896 7 L HN 0.332 nan 8.230 nan 0.000 0.432 8 T N 0.153 114.841 114.554 0.223 0.000 2.720 8 T HA -0.165 4.187 4.350 0.003 0.000 0.268 8 T C 1.853 176.653 174.700 0.168 0.000 1.037 8 T CA 1.458 63.672 62.100 0.190 0.000 1.144 8 T CB -0.183 68.745 68.868 0.099 0.000 0.864 8 T HN 0.172 nan 8.240 nan 0.000 0.444 9 I N 1.192 121.827 120.570 0.108 0.000 2.141 9 I HA -0.081 4.090 4.170 0.003 0.000 0.236 9 I C 3.104 179.263 176.117 0.069 0.000 1.071 9 I CA 1.640 62.980 61.300 0.066 0.000 1.345 9 I CB -0.388 37.634 38.000 0.037 0.000 1.066 9 I HN 0.180 nan 8.210 nan 0.000 0.406 10 K N 0.246 120.686 120.400 0.066 0.000 2.155 10 K HA -0.077 4.245 4.320 0.003 0.000 0.203 10 K C 1.903 178.521 176.600 0.030 0.000 1.052 10 K CA 1.535 57.846 56.287 0.040 0.000 0.948 10 K CB -0.620 31.900 32.500 0.034 0.000 0.728 10 K HN 0.474 nan 8.250 nan 0.000 0.448 11 E N -2.047 118.184 120.200 0.052 0.000 2.206 11 E HA 0.114 4.466 4.350 0.003 0.000 0.195 11 E C 1.705 178.225 176.600 -0.134 0.000 0.935 11 E CA 0.331 56.701 56.400 -0.049 0.000 0.875 11 E CB 0.236 29.892 29.700 -0.075 0.000 0.841 11 E HN 0.668 nan 8.360 nan 0.000 0.477 12 Y N -0.599 119.711 120.300 0.017 0.000 2.397 12 Y HA 0.152 4.704 4.550 0.003 0.000 0.292 12 Y C 1.621 177.522 175.900 0.001 0.000 1.115 12 Y CA 0.905 59.013 58.100 0.013 0.000 1.208 12 Y CB 0.987 39.460 38.460 0.022 0.000 1.046 12 Y HN 0.176 nan 8.280 nan 0.000 0.552 13 G N -0.152 108.732 108.800 0.141 0.000 2.144 13 G HA2 -0.235 3.727 3.960 0.003 0.000 0.218 13 G HA3 -0.235 3.727 3.960 0.003 0.000 0.218 13 G C -0.333 174.595 174.900 0.046 0.000 0.988 13 G CA -0.033 45.106 45.100 0.065 0.000 0.659 13 G HN 0.075 nan 8.290 nan 0.000 0.522 14 V N 1.979 121.925 119.914 0.054 0.000 2.446 14 V HA 0.197 4.318 4.120 0.003 0.000 0.276 14 V C 1.012 177.097 176.094 -0.015 0.000 1.030 14 V CA -0.419 61.883 62.300 0.003 0.000 1.033 14 V CB 1.226 33.031 31.823 -0.030 0.000 0.993 14 V HN 0.430 nan 8.190 nan 0.000 0.477 15 D N 4.092 124.475 120.400 -0.029 0.000 2.533 15 D HA -0.061 4.581 4.640 0.003 0.000 0.236 15 D C 1.459 177.727 176.300 -0.054 0.000 1.137 15 D CA 0.670 54.643 54.000 -0.045 0.000 0.867 15 D CB 1.175 41.939 40.800 -0.060 0.000 1.170 15 D HN 0.757 nan 8.370 nan 0.000 0.474 16 S N 4.393 120.064 115.700 -0.049 0.000 2.419 16 S HA -0.203 4.268 4.470 0.003 0.000 0.235 16 S C 1.685 176.254 174.600 -0.053 0.000 1.019 16 S CA 0.710 58.883 58.200 -0.045 0.000 0.982 16 S CB -0.033 63.151 63.200 -0.026 0.000 0.789 16 S HN 0.558 nan 8.310 nan 0.000 0.490 17 R N 0.480 120.940 120.500 -0.066 0.000 2.148 17 R HA 0.184 4.526 4.340 0.003 0.000 0.227 17 R C 2.131 178.413 176.300 -0.031 0.000 1.103 17 R CA 1.428 57.502 56.100 -0.044 0.000 0.983 17 R CB -0.494 29.734 30.300 -0.121 0.000 0.874 17 R HN 0.485 nan 8.270 nan 0.000 0.451 18 I N 0.811 121.348 120.570 -0.055 0.000 2.193 18 I HA -0.175 3.997 4.170 0.003 0.000 0.240 18 I C 1.347 177.406 176.117 -0.098 0.000 1.084 18 I CA 0.586 61.849 61.300 -0.061 0.000 1.365 18 I CB -0.158 37.805 38.000 -0.061 0.000 1.064 18 I HN 0.035 nan 8.210 nan 0.000 0.410 22 R N 0.951 121.382 120.500 -0.115 0.000 2.103 22 R HA -0.078 4.264 4.340 0.003 0.000 0.242 22 R C 2.147 178.343 176.300 -0.172 0.000 1.142 22 R CA 1.642 57.668 56.100 -0.123 0.000 0.960 22 R CB -0.362 29.858 30.300 -0.133 0.000 0.858 22 R HN 0.270 nan 8.270 nan 0.000 0.439 23 A N 0.664 123.287 122.820 -0.328 0.000 1.858 23 A HA -0.081 4.241 4.320 0.003 0.000 0.216 23 A C 2.433 179.864 177.584 -0.255 0.000 1.190 23 A CA 1.769 53.428 52.037 -0.630 0.000 0.617 23 A CB -1.155 17.127 19.000 -1.198 0.000 0.827 23 A HN 0.466 nan 8.150 nan 0.000 0.443 24 G N -0.233 108.465 108.800 -0.170 0.000 2.418 24 G HA2 -0.188 3.774 3.960 0.003 0.000 0.217 24 G HA3 -0.188 3.774 3.960 0.003 0.000 0.217 24 G C 1.550 176.427 174.900 -0.038 0.000 1.158 24 G CA 1.087 46.148 45.100 -0.066 0.000 0.771 24 G HN 0.457 nan 8.290 nan 0.000 0.545 25 I N 1.496 122.037 120.570 -0.049 0.000 2.226 25 I HA -0.211 3.961 4.170 0.003 0.000 0.245 25 I C 3.207 179.320 176.117 -0.007 0.000 1.100 25 I CA 1.506 62.787 61.300 -0.033 0.000 1.374 25 I CB -0.145 37.834 38.000 -0.035 0.000 1.057 25 I HN 0.376 nan 8.210 nan 0.000 0.413 26 S N 0.397 116.106 115.700 0.015 0.000 2.383 26 S HA -0.143 4.329 4.470 0.003 0.000 0.229 26 S C 1.985 176.632 174.600 0.078 0.000 1.030 26 S CA 1.389 59.626 58.200 0.063 0.000 1.002 26 S CB -0.790 62.486 63.200 0.125 0.000 0.829 26 S HN 0.248 nan 8.310 nan 0.000 0.467 27 V N 1.529 121.501 119.914 0.096 0.000 2.407 27 V HA -0.106 4.015 4.120 0.003 0.000 0.248 27 V C 2.687 178.785 176.094 0.008 0.000 1.055 27 V CA 1.606 63.948 62.300 0.071 0.000 1.049 27 V CB -0.778 31.096 31.823 0.086 0.000 0.662 27 V HN 0.483 nan 8.190 nan 0.000 0.455 28 V N -0.235 119.666 119.914 -0.021 0.000 2.307 28 V HA -0.228 3.894 4.120 0.003 0.000 0.245 28 V C 2.287 178.363 176.094 -0.030 0.000 1.045 28 V CA 1.895 64.160 62.300 -0.058 0.000 1.024 28 V CB -0.494 31.283 31.823 -0.078 0.000 0.651 28 V HN 0.436 nan 8.190 nan 0.000 0.449 29 L N -0.162 121.055 121.223 -0.011 0.000 2.093 29 L HA 0.001 4.343 4.340 0.003 0.000 0.208 29 L C 1.740 178.611 176.870 0.002 0.000 1.085 29 L CA 0.772 55.611 54.840 -0.001 0.000 0.755 29 L CB -0.625 41.437 42.059 0.005 0.000 0.904 29 L HN 0.364 nan 8.230 nan 0.000 0.435 33 E N 0.986 121.192 120.200 0.009 0.000 2.274 33 E HA -0.152 4.200 4.350 0.003 0.000 0.194 33 E C 1.608 178.211 176.600 0.006 0.000 0.996 33 E CA 1.336 57.741 56.400 0.009 0.000 0.840 33 E CB 0.153 29.856 29.700 0.006 0.000 0.772 33 E HN 0.111 nan 8.360 nan 0.000 0.491 34 E N 0.546 120.743 120.200 -0.004 0.000 2.190 34 E HA 0.085 4.437 4.350 0.003 0.000 0.191 34 E C 1.696 178.289 176.600 -0.011 0.000 0.978 34 E CA 0.675 57.070 56.400 -0.009 0.000 0.839 34 E CB 0.213 29.901 29.700 -0.020 0.000 0.787 34 E HN 0.360 nan 8.360 nan 0.000 0.473 35 L N -1.139 120.066 121.223 -0.029 0.000 2.616 35 L HA 0.377 4.719 4.340 0.003 0.000 0.229 35 L C 1.155 178.059 176.870 0.057 0.000 1.110 35 L CA -0.019 54.793 54.840 -0.047 0.000 0.884 35 L CB -0.097 41.795 42.059 -0.279 0.000 1.115 35 L HN 0.243 nan 8.230 nan 0.000 0.481 36 G N 1.266 110.101 108.800 0.057 0.000 2.598 36 G HA2 -0.321 3.640 3.960 0.003 0.000 0.244 36 G HA3 -0.321 3.640 3.960 0.003 0.000 0.244 36 G C -0.029 174.944 174.900 0.121 0.000 1.302 36 G CA -0.241 44.912 45.100 0.088 0.000 0.903 36 G HN 0.325 nan 8.290 nan 0.000 0.575 37 N N 0.749 119.532 118.700 0.138 0.000 2.365 37 N HA 0.079 4.821 4.740 0.003 0.000 0.265 37 N C 1.613 177.281 175.510 0.263 0.000 1.288 37 N CA 0.427 53.569 53.050 0.154 0.000 0.869 37 N CB 0.195 38.754 38.487 0.120 0.000 1.071 37 N HN 0.510 nan 8.380 nan 0.000 0.480 38 L N 2.568 123.943 121.223 0.253 0.000 2.591 38 L HA -0.005 4.337 4.340 0.003 0.000 0.228 38 L C 2.202 179.340 176.870 0.448 0.000 1.133 38 L CA -0.086 55.000 54.840 0.411 0.000 0.880 38 L CB -0.182 42.043 42.059 0.277 0.000 1.033 38 L HN 0.480 nan 8.230 nan 0.000 0.450 39 S N 0.560 116.422 115.700 0.270 0.000 2.372 39 S HA -0.209 4.262 4.470 0.003 0.000 0.227 39 S C 1.257 175.966 174.600 0.182 0.000 1.044 39 S CA 1.796 60.112 58.200 0.193 0.000 1.050 39 S CB -0.145 63.124 63.200 0.115 0.000 0.901 39 S HN 0.482 nan 8.310 nan 0.000 0.447 40 D N -0.517 119.955 120.400 0.120 0.000 2.349 40 D HA 0.146 4.788 4.640 0.003 0.000 0.224 40 D C -0.369 175.858 176.300 -0.122 0.000 1.029 40 D CA 0.256 54.232 54.000 -0.041 0.000 0.879 40 D CB -0.011 40.697 40.800 -0.154 0.000 0.906 40 D HN 0.403 nan 8.370 nan 0.000 0.528 41 Y N 0.356 120.713 120.300 0.094 0.000 2.376 41 Y HA 0.405 4.956 4.550 0.002 0.000 0.325 41 Y C 0.878 176.783 175.900 0.008 0.000 1.199 41 Y CA -0.668 57.405 58.100 -0.045 0.000 1.206 41 Y CB 1.089 39.406 38.460 -0.238 0.000 1.229 41 Y HN -0.454 nan 8.280 nan 0.000 0.480 42 R N 2.321 122.854 120.500 0.054 0.000 2.338 42 R HA 0.447 4.789 4.340 0.003 0.000 0.317 42 R C -1.837 174.581 176.300 0.197 0.000 0.968 42 R CA -0.599 55.626 56.100 0.207 0.000 0.849 42 R CB 0.913 31.256 30.300 0.072 0.000 1.128 42 R HN 0.430 nan 8.270 nan 0.000 0.448 43 F N 3.040 123.232 119.950 0.403 0.000 2.426 43 F HA 0.318 4.846 4.527 0.002 0.000 0.348 43 F C -0.211 175.527 175.800 -0.104 0.000 1.124 43 F CA -1.012 57.093 58.000 0.176 0.000 1.008 43 F CB 1.364 40.419 39.000 0.090 0.000 1.139 43 F HN 0.225 nan 8.300 nan 0.000 0.452 44 L N 5.499 126.597 121.223 -0.207 0.000 2.262 44 L HA 0.601 4.942 4.340 0.003 0.000 0.288 44 L C -0.947 175.805 176.870 -0.196 0.000 1.035 44 L CA -0.412 54.096 54.840 -0.552 0.000 0.820 44 L CB 0.747 42.401 42.059 -0.675 0.000 1.204 44 L HN 0.349 nan 8.230 nan 0.000 0.424 45 V N 6.665 126.470 119.914 -0.181 0.000 2.370 45 V HA 0.379 4.501 4.120 0.003 0.000 0.279 45 V C 0.097 176.078 176.094 -0.188 0.000 1.029 45 V CA -0.551 61.653 62.300 -0.159 0.000 0.870 45 V CB 1.280 32.978 31.823 -0.207 0.000 0.984 45 V HN 0.540 nan 8.190 nan 0.000 0.451 46 L N 4.799 125.928 121.223 -0.157 0.000 2.280 46 L HA 0.539 4.880 4.340 0.003 0.000 0.287 46 L C -0.589 176.152 176.870 -0.215 0.000 1.023 46 L CA -0.133 54.616 54.840 -0.152 0.000 0.819 46 L CB 1.339 43.329 42.059 -0.114 0.000 1.212 46 L HN 0.596 nan 8.230 nan 0.000 0.420 47 C N 2.530 121.685 119.300 -0.242 0.000 2.379 47 C HA 0.749 5.211 4.460 0.003 0.000 0.323 47 C C 1.019 175.904 174.990 -0.174 0.000 1.262 47 C CA -0.668 58.203 59.018 -0.246 0.000 1.581 47 C CB 1.154 28.602 27.740 -0.487 0.000 2.221 47 C HN 0.956 nan 8.230 nan 0.000 0.497 48 G N 1.310 110.019 108.800 -0.152 0.000 2.543 48 G HA2 0.478 4.439 3.960 0.003 0.000 0.290 48 G HA3 0.478 4.439 3.960 0.003 0.000 0.290 48 G C 0.960 175.969 174.900 0.181 0.000 1.310 48 G CA 0.192 45.208 45.100 -0.139 0.000 1.025 48 G HN 1.035 nan 8.290 nan 0.000 0.502 49 G N -1.232 107.691 108.800 0.206 0.000 2.985 49 G HA2 0.402 4.364 3.960 0.003 0.000 0.209 49 G HA3 0.402 4.364 3.960 0.003 0.000 0.209 49 G C 0.816 175.861 174.900 0.243 0.000 1.165 49 G CA 0.710 46.048 45.100 0.397 0.000 0.776 49 G HN 0.856 nan 8.290 nan 0.000 0.541 50 G N -0.074 108.833 108.800 0.177 0.000 2.525 50 G HA2 0.242 4.204 3.960 0.003 0.000 0.287 50 G HA3 0.242 4.204 3.960 0.003 0.000 0.287 50 G C 0.749 175.732 174.900 0.138 0.000 1.350 50 G CA -0.473 44.711 45.100 0.140 0.000 1.039 50 G HN 0.051 nan 8.290 nan 0.000 0.513 51 N N -0.212 118.556 118.700 0.112 0.000 2.396 51 N HA -0.106 4.636 4.740 0.003 0.000 0.180 51 N C 1.877 177.448 175.510 0.100 0.000 1.028 51 N CA 0.314 53.425 53.050 0.102 0.000 0.893 51 N CB -0.200 38.334 38.487 0.079 0.000 0.967 51 N HN 0.587 nan 8.380 nan 0.000 0.440 52 N N 0.911 119.674 118.700 0.104 0.000 2.058 52 N HA -0.129 4.613 4.740 0.003 0.000 0.191 52 N C 1.797 177.343 175.510 0.060 0.000 1.037 52 N CA 1.455 54.563 53.050 0.095 0.000 0.848 52 N CB -0.188 38.350 38.487 0.085 0.000 1.021 52 N HN 0.197 nan 8.380 nan 0.000 0.422 53 G N -0.005 108.833 108.800 0.063 0.000 2.442 53 G HA2 -0.215 3.746 3.960 0.003 0.000 0.219 53 G HA3 -0.215 3.746 3.960 0.003 0.000 0.219 53 G C 1.481 176.457 174.900 0.126 0.000 1.141 53 G CA 1.182 46.309 45.100 0.045 0.000 0.763 53 G HN 0.481 nan 8.290 nan 0.000 0.554 54 G N 1.002 109.932 108.800 0.217 0.000 2.446 54 G HA2 -0.206 3.755 3.960 0.003 0.000 0.217 54 G HA3 -0.206 3.755 3.960 0.003 0.000 0.217 54 G C 1.444 176.440 174.900 0.160 0.000 1.168 54 G CA 1.319 46.574 45.100 0.259 0.000 0.771 54 G HN 0.346 nan 8.290 nan 0.000 0.551 55 D N 0.723 121.167 120.400 0.072 0.000 2.158 55 D HA -0.098 4.543 4.640 0.003 0.000 0.197 55 D C 2.594 178.892 176.300 -0.004 0.000 0.995 55 D CA 1.375 55.384 54.000 0.014 0.000 0.846 55 D CB -0.812 40.003 40.800 0.025 0.000 0.941 55 D HN 0.342 nan 8.370 nan 0.000 0.456 56 G N -0.353 108.420 108.800 -0.045 0.000 2.408 56 G HA2 -0.230 3.731 3.960 0.003 0.000 0.217 56 G HA3 -0.230 3.731 3.960 0.003 0.000 0.217 56 G C 1.391 176.153 174.900 -0.230 0.000 1.150 56 G CA 0.117 45.120 45.100 -0.162 0.000 0.776 56 G HN 0.174 nan 8.290 nan 0.000 0.542 57 F N 0.662 120.538 119.950 -0.125 0.000 2.171 57 F HA -0.033 4.496 4.527 0.003 0.000 0.300 57 F C 2.814 178.516 175.800 -0.163 0.000 1.090 57 F CA 0.533 58.411 58.000 -0.204 0.000 1.293 57 F CB -0.472 38.459 39.000 -0.115 0.000 1.013 57 F HN -0.025 nan 8.300 nan 0.000 0.486 58 V N -0.843 119.107 119.914 0.060 0.000 2.343 58 V HA -0.255 3.866 4.120 0.003 0.000 0.247 58 V C 2.310 178.370 176.094 -0.056 0.000 1.051 58 V CA 1.457 63.742 62.300 -0.024 0.000 1.036 58 V CB -0.726 31.078 31.823 -0.032 0.000 0.654 58 V HN 0.145 nan 8.190 nan 0.000 0.451 59 V N 0.351 120.226 119.914 -0.066 0.000 2.295 59 V HA -0.276 3.846 4.120 0.003 0.000 0.246 59 V C 2.714 178.745 176.094 -0.105 0.000 1.049 59 V CA 2.160 64.405 62.300 -0.092 0.000 1.024 59 V CB -1.167 30.600 31.823 -0.093 0.000 0.648 59 V HN 0.563 nan 8.190 nan 0.000 0.447 60 A N -0.236 122.517 122.820 -0.112 0.000 1.902 60 A HA -0.254 4.068 4.320 0.003 0.000 0.217 60 A C 2.425 180.101 177.584 0.152 0.000 1.181 60 A CA 2.033 54.036 52.037 -0.057 0.000 0.623 60 A CB -0.597 18.199 19.000 -0.341 0.000 0.818 60 A HN 0.463 nan 8.150 nan 0.000 0.443 61 R N -0.335 120.262 120.500 0.163 0.000 2.096 61 R HA -0.125 4.217 4.340 0.003 0.000 0.235 61 R C 1.477 177.763 176.300 -0.024 0.000 1.127 61 R CA 1.575 57.732 56.100 0.095 0.000 0.968 61 R CB -0.261 29.931 30.300 -0.180 0.000 0.861 61 R HN 0.512 nan 8.270 nan 0.000 0.440 62 N N 0.431 119.099 118.700 -0.054 0.000 2.457 62 N HA -0.072 4.669 4.740 0.003 0.000 0.180 62 N C 1.506 176.993 175.510 -0.039 0.000 1.050 62 N CA 0.697 53.717 53.050 -0.049 0.000 0.906 62 N CB 0.178 38.625 38.487 -0.066 0.000 0.968 62 N HN 0.300 nan 8.380 nan 0.000 0.445 63 L N 0.395 121.584 121.223 -0.057 0.000 2.375 63 L HA 0.157 4.499 4.340 0.003 0.000 0.215 63 L C 0.682 177.568 176.870 0.027 0.000 1.108 63 L CA -0.012 54.776 54.840 -0.086 0.000 0.830 63 L CB -0.024 41.890 42.059 -0.242 0.000 0.959 63 L HN -0.001 nan 8.230 nan 0.000 0.457 64 L N 1.206 122.481 121.223 0.086 0.000 2.601 64 L HA -0.043 4.299 4.340 0.003 0.000 0.277 64 L C 1.408 178.340 176.870 0.104 0.000 1.219 64 L CA 0.968 55.880 54.840 0.120 0.000 0.915 64 L CB -0.049 42.098 42.059 0.147 0.000 1.160 64 L HN 0.452 nan 8.230 nan 0.000 0.494 65 G N 2.626 111.480 108.800 0.090 0.000 2.179 65 G HA2 -0.257 3.705 3.960 0.003 0.000 0.260 65 G HA3 -0.257 3.705 3.960 0.003 0.000 0.260 65 G C 0.535 175.476 174.900 0.068 0.000 0.977 65 G CA 0.306 45.448 45.100 0.071 0.000 0.641 65 G HN 0.480 nan 8.290 nan 0.000 0.533 66 V N -0.087 119.872 119.914 0.076 0.000 3.612 66 V HA 0.405 4.526 4.120 0.003 0.000 0.268 66 V C 1.179 177.334 176.094 0.101 0.000 1.365 66 V CA 1.179 63.522 62.300 0.071 0.000 1.044 66 V CB 1.065 32.917 31.823 0.047 0.000 0.820 66 V HN 1.109 nan 8.190 nan 0.000 0.444 67 V N -2.754 117.241 119.914 0.135 0.000 3.158 67 V HA 0.552 4.674 4.120 0.003 0.000 0.311 67 V C 0.977 177.193 176.094 0.203 0.000 1.181 67 V CA -0.643 61.790 62.300 0.221 0.000 1.054 67 V CB 2.001 34.036 31.823 0.353 0.000 1.085 67 V HN 0.032 nan 8.190 nan 0.000 0.446 68 K N -0.318 120.211 120.400 0.215 0.000 2.026 68 K HA -0.038 4.284 4.320 0.003 0.000 0.208 68 K C 0.171 176.865 176.600 0.156 0.000 1.048 68 K CA 2.166 58.536 56.287 0.138 0.000 0.929 68 K CB 0.025 32.575 32.500 0.083 0.000 0.713 68 K HN 0.934 nan 8.250 nan 0.000 0.439 69 D N -1.430 119.118 120.400 0.246 0.000 2.736 69 D HA 0.299 4.941 4.640 0.003 0.000 0.223 69 D C -1.935 174.625 176.300 0.433 0.000 1.231 69 D CA -0.551 53.620 54.000 0.286 0.000 0.818 69 D CB 2.343 43.271 40.800 0.214 0.000 1.587 69 D HN -0.162 nan 8.370 nan 0.000 0.463 70 V N 2.248 122.393 119.914 0.384 0.000 2.638 70 V HA 0.687 4.808 4.120 0.003 0.000 0.306 70 V C -0.999 175.296 176.094 0.334 0.000 1.052 70 V CA -0.789 61.728 62.300 0.361 0.000 0.885 70 V CB 1.647 33.649 31.823 0.298 0.000 0.999 70 V HN 0.515 nan 8.190 nan 0.000 0.424 71 L N 5.201 126.530 121.223 0.177 0.000 2.431 71 L HA 0.790 5.132 4.340 0.003 0.000 0.266 71 L C -0.908 175.942 176.870 -0.033 0.000 0.978 71 L CA -0.264 54.642 54.840 0.110 0.000 0.822 71 L CB 2.285 44.377 42.059 0.055 0.000 1.310 71 L HN 0.449 nan 8.230 nan 0.000 0.409 72 V N 5.381 125.328 119.914 0.054 0.000 2.394 72 V HA 0.484 4.606 4.120 0.003 0.000 0.282 72 V C -0.393 175.723 176.094 0.038 0.000 1.031 72 V CA -0.647 61.607 62.300 -0.076 0.000 0.881 72 V CB 1.708 33.385 31.823 -0.243 0.000 0.982 72 V HN 0.522 nan 8.190 nan 0.000 0.451 73 V N 6.128 126.038 119.914 -0.008 0.000 2.333 73 V HA 0.338 4.460 4.120 0.003 0.000 0.274 73 V C -0.355 175.776 176.094 0.061 0.000 1.028 73 V CA -0.449 61.892 62.300 0.068 0.000 0.851 73 V CB 1.016 32.900 31.823 0.102 0.000 1.000 73 V HN 0.692 nan 8.190 nan 0.000 0.456 74 F N 5.715 125.670 119.950 0.009 0.000 2.411 74 F HA 0.515 5.043 4.527 0.003 0.000 0.355 74 F C 0.592 176.391 175.800 -0.001 0.000 1.117 74 F CA -0.562 57.438 58.000 -0.000 0.000 1.139 74 F CB 1.006 40.063 39.000 0.096 0.000 1.120 74 F HN 0.374 nan 8.300 nan 0.000 0.493 75 L N 4.824 125.550 121.223 -0.828 0.000 2.425 75 L HA 0.308 4.650 4.340 0.003 0.000 0.215 75 L C 1.702 178.150 176.870 -0.703 0.000 1.065 75 L CA 0.243 54.733 54.840 -0.583 0.000 0.842 75 L CB -0.760 41.120 42.059 -0.297 0.000 1.033 75 L HN 0.768 nan 8.230 nan 0.000 0.474 76 G N 0.275 108.418 108.800 -1.096 0.000 2.825 76 G HA2 0.161 4.123 3.960 0.003 0.000 0.241 76 G HA3 0.161 4.123 3.960 0.003 0.000 0.241 76 G C 0.795 175.542 174.900 -0.254 0.000 1.239 76 G CA 0.636 45.395 45.100 -0.568 0.000 0.859 76 G HN 0.231 nan 8.290 nan 0.000 0.598 77 K N -0.630 119.802 120.400 0.054 0.000 2.262 77 K HA 0.362 4.684 4.320 0.003 0.000 0.200 77 K C 1.403 178.119 176.600 0.194 0.000 1.058 77 K CA 1.595 57.954 56.287 0.119 0.000 0.974 77 K CB -0.192 nan 32.500 nan 0.000 0.910 77 K HN 1.045 nan 8.250 nan 0.000 0.484 78 K N -0.073 120.448 120.400 0.201 0.000 2.395 78 K HA 0.734 5.056 4.320 0.003 0.000 0.245 78 K C -1.118 175.618 176.600 0.226 0.000 1.017 78 K CA -1.010 55.381 56.287 0.173 0.000 0.852 78 K CB 1.568 34.132 32.500 0.107 0.000 1.311 78 K HN 0.300 nan 8.250 nan 0.000 0.452 79 K N 0.889 121.363 120.400 0.124 0.000 2.378 79 K HA 0.423 4.744 4.320 0.003 0.000 0.252 79 K C -0.238 176.411 176.600 0.081 0.000 0.931 79 K CA -0.615 55.735 56.287 0.105 0.000 0.794 79 K CB 2.185 34.654 32.500 -0.052 0.000 1.181 79 K HN 0.963 nan 8.250 nan 0.000 0.425 80 T N -0.505 114.108 114.554 0.098 0.000 2.795 80 T HA 0.067 4.418 4.350 0.003 0.000 0.314 80 T C -1.842 172.897 174.700 0.064 0.000 1.069 80 T CA -1.186 60.961 62.100 0.077 0.000 1.071 80 T CB 0.486 69.403 68.868 0.081 0.000 0.988 80 T HN 0.217 nan 8.240 nan 0.000 0.543 81 P HA -0.117 nan 4.420 nan 0.000 0.216 81 P C 1.094 178.439 177.300 0.075 0.000 1.157 81 P CA 1.215 64.345 63.100 0.050 0.000 0.880 81 P CB -0.004 31.714 31.700 0.029 0.000 0.791 82 D N -1.697 118.747 120.400 0.073 0.000 2.183 82 D HA -0.109 4.533 4.640 0.003 0.000 0.203 82 D C 2.041 178.423 176.300 0.136 0.000 0.969 82 D CA 0.728 54.791 54.000 0.104 0.000 0.842 82 D CB -1.159 39.681 40.800 0.068 0.000 0.957 82 D HN 0.157 nan 8.370 nan 0.000 0.484 83 C N 1.164 120.533 119.300 0.116 0.000 2.440 83 C HA -0.069 4.393 4.460 0.003 0.000 0.278 83 C C 2.468 177.469 174.990 0.018 0.000 1.295 83 C CA 0.637 59.733 59.018 0.131 0.000 1.738 83 C CB -0.591 27.261 27.740 0.186 0.000 1.987 83 C HN 0.169 nan 8.230 nan 0.000 0.492 84 E N -0.280 119.935 120.200 0.026 0.000 2.051 84 E HA -0.191 4.160 4.350 0.003 0.000 0.192 84 E C 1.810 178.434 176.600 0.040 0.000 0.991 84 E CA 1.544 57.952 56.400 0.014 0.000 0.799 84 E CB -0.864 28.862 29.700 0.043 0.000 0.748 84 E HN 0.864 nan 8.360 nan 0.000 0.449 85 Y N 1.858 122.135 120.300 -0.038 0.000 2.114 85 Y HA -0.254 4.298 4.550 0.003 0.000 0.282 85 Y C 1.815 177.666 175.900 -0.083 0.000 1.165 85 Y CA 2.330 60.401 58.100 -0.049 0.000 1.148 85 Y CB -0.498 37.943 38.460 -0.030 0.000 0.972 85 Y HN 0.086 nan 8.280 nan 0.000 0.504 86 N N -1.525 117.092 118.700 -0.138 0.000 2.300 86 N HA -0.161 4.581 4.740 0.003 0.000 0.179 86 N C 1.570 176.867 175.510 -0.354 0.000 1.016 86 N CA 0.928 53.834 53.050 -0.239 0.000 0.876 86 N CB -0.536 37.946 38.487 -0.007 0.000 0.979 86 N HN 0.445 nan 8.380 nan 0.000 0.432 87 Y N 1.462 121.282 120.300 -0.800 0.000 2.114 87 Y HA -0.155 4.396 4.550 0.003 0.000 0.282 87 Y C 2.285 177.879 175.900 -0.511 0.000 1.165 87 Y CA 1.862 59.230 58.100 -1.220 0.000 1.148 87 Y CB -0.902 36.809 38.460 -1.248 0.000 0.972 87 Y HN -0.002 nan 8.280 nan 0.000 0.504 88 G N 0.568 109.063 108.800 -0.509 0.000 2.446 88 G HA2 -0.265 3.697 3.960 0.003 0.000 0.217 88 G HA3 -0.265 3.697 3.960 0.003 0.000 0.217 88 G C 1.765 176.437 174.900 -0.380 0.000 1.168 88 G CA 1.343 46.169 45.100 -0.456 0.000 0.771 88 G HN 0.479 nan 8.290 nan 0.000 0.551 89 L N -1.046 119.935 121.223 -0.402 0.000 2.093 89 L HA -0.047 4.295 4.340 0.003 0.000 0.208 89 L C 2.587 179.342 176.870 -0.191 0.000 1.085 89 L CA 1.178 55.838 54.840 -0.300 0.000 0.755 89 L CB -0.477 41.294 42.059 -0.480 0.000 0.904 89 L HN 0.324 nan 8.230 nan 0.000 0.435 90 Y N 1.198 121.303 120.300 -0.325 0.000 2.128 90 Y HA -0.280 4.272 4.550 0.003 0.000 0.284 90 Y C 2.577 178.416 175.900 -0.103 0.000 1.154 90 Y CA 1.614 59.608 58.100 -0.178 0.000 1.149 90 Y CB -0.104 38.345 38.460 -0.017 0.000 0.976 90 Y HN -0.019 nan 8.280 nan 0.000 0.505 91 K N 0.001 120.238 120.400 -0.272 0.000 2.057 91 K HA -0.160 4.162 4.320 0.003 0.000 0.207 91 K C 2.097 178.576 176.600 -0.202 0.000 1.049 91 K CA 1.329 57.424 56.287 -0.320 0.000 0.931 91 K CB -0.155 32.102 32.500 -0.406 0.000 0.714 91 K HN 0.235 nan 8.250 nan 0.000 0.440 92 K N 0.398 120.724 120.400 -0.123 0.000 2.103 92 K HA -0.116 4.206 4.320 0.003 0.000 0.207 92 K C 1.859 178.470 176.600 0.018 0.000 1.048 92 K CA 1.216 57.483 56.287 -0.034 0.000 0.930 92 K CB -0.260 32.254 32.500 0.023 0.000 0.716 92 K HN 0.098 nan 8.250 nan 0.000 0.444 93 F N 0.328 120.162 119.950 -0.193 0.000 2.771 93 F HA 0.051 4.580 4.527 0.003 0.000 0.299 93 F C 1.427 177.107 175.800 -0.200 0.000 1.177 93 F CA 0.895 58.795 58.000 -0.166 0.000 1.450 93 F CB -0.239 38.677 39.000 -0.139 0.000 1.114 93 F HN 0.275 nan 8.300 nan 0.000 0.587 94 G N -0.057 108.683 108.800 -0.100 0.000 2.130 94 G HA2 -0.156 3.805 3.960 0.003 0.000 0.216 94 G HA3 -0.156 3.805 3.960 0.003 0.000 0.216 94 G C 0.589 175.345 174.900 -0.240 0.000 0.999 94 G CA -0.250 44.766 45.100 -0.140 0.000 0.686 94 G HN 0.737 nan 8.290 nan 0.000 0.515 95 G N -0.229 108.239 108.800 -0.554 0.000 2.390 95 G HA2 0.726 4.688 3.960 0.003 0.000 0.270 95 G HA3 0.726 4.688 3.960 0.003 0.000 0.270 95 G C 0.148 174.791 174.900 -0.429 0.000 1.211 95 G CA 0.719 45.245 45.100 -0.956 0.000 0.842 95 G HN 1.278 nan 8.290 nan 0.000 0.519 96 K N 1.097 121.490 120.400 -0.011 0.000 2.297 96 K HA 0.616 4.938 4.320 0.003 0.000 0.286 96 K C -0.327 176.504 176.600 0.386 0.000 1.053 96 K CA -0.475 55.911 56.287 0.164 0.000 0.940 96 K CB 1.281 33.877 32.500 0.161 0.000 1.019 96 K HN 0.636 nan 8.250 nan 0.000 0.475 97 V N 2.182 122.310 119.914 0.357 0.000 2.680 97 V HA 0.689 4.811 4.120 0.003 0.000 0.309 97 V C 0.112 176.368 176.094 0.270 0.000 1.052 97 V CA -0.724 61.815 62.300 0.397 0.000 0.908 97 V CB 1.459 33.602 31.823 0.533 0.000 1.001 97 V HN 0.891 nan 8.190 nan 0.000 0.431 98 V N 1.324 121.376 119.914 0.229 0.000 3.046 98 V HA 0.663 4.785 4.120 0.003 0.000 0.316 98 V C 0.115 176.326 176.094 0.196 0.000 1.104 98 V CA -0.519 61.887 62.300 0.177 0.000 1.006 98 V CB 2.200 34.094 31.823 0.119 0.000 1.058 98 V HN 0.832 nan 8.190 nan 0.000 0.440 99 E N 0.339 120.637 120.200 0.163 0.000 2.511 99 E HA 0.248 4.600 4.350 0.003 0.000 0.209 99 E C 0.805 177.452 176.600 0.079 0.000 0.986 99 E CA 0.623 57.113 56.400 0.150 0.000 0.974 99 E CB 1.051 30.853 29.700 0.169 0.000 1.030 99 E HN 0.948 nan 8.360 nan 0.000 0.490 100 Q N 0.965 120.812 119.800 0.078 0.000 2.307 100 Q HA 0.361 4.703 4.340 0.003 0.000 0.262 100 Q C -1.148 174.905 176.000 0.089 0.000 0.961 100 Q CA -0.623 55.219 55.803 0.066 0.000 0.882 100 Q CB 0.630 29.396 28.738 0.046 0.000 1.264 100 Q HN 0.246 nan 8.270 nan 0.000 0.446 101 F N 2.043 121.968 119.950 -0.042 0.000 2.368 101 F HA 0.392 4.921 4.527 0.003 0.000 0.362 101 F C 0.103 175.893 175.800 -0.018 0.000 1.137 101 F CA -0.350 57.627 58.000 -0.037 0.000 1.161 101 F CB 0.894 39.852 39.000 -0.069 0.000 1.265 101 F HN 0.493 nan 8.300 nan 0.000 0.530 102 E N 7.177 127.217 120.200 -0.266 0.000 2.229 102 E HA 0.167 4.518 4.350 0.003 0.000 0.283 102 E C -1.613 174.746 176.600 -0.401 0.000 1.030 102 E CA -1.651 54.632 56.400 -0.194 0.000 0.836 102 E CB 1.426 31.059 29.700 -0.110 0.000 1.068 102 E HN 0.556 nan 8.360 nan 0.000 0.401 103 P HA -0.264 nan 4.420 nan 0.000 0.216 103 P C 1.631 178.867 177.300 -0.106 0.000 1.154 103 P CA 2.015 65.090 63.100 -0.041 0.000 0.865 103 P CB 0.011 31.761 31.700 0.084 0.000 0.789 104 S N -0.988 114.661 115.700 -0.086 0.000 2.419 104 S HA -0.192 4.280 4.470 0.003 0.000 0.235 104 S C 1.914 176.474 174.600 -0.065 0.000 1.019 104 S CA 0.963 59.130 58.200 -0.055 0.000 0.982 104 S CB -1.641 61.535 63.200 -0.039 0.000 0.789 104 S HN -0.032 nan 8.310 nan 0.000 0.490 105 I N 2.713 123.198 120.570 -0.141 0.000 2.300 105 I HA -0.184 3.988 4.170 0.003 0.000 0.252 105 I C 1.809 177.987 176.117 0.101 0.000 1.119 105 I CA 0.985 62.248 61.300 -0.063 0.000 1.384 105 I CB -0.608 37.257 38.000 -0.225 0.000 1.062 105 I HN 0.525 nan 8.210 nan 0.000 0.426 106 L N -0.060 121.180 121.223 0.029 0.000 2.478 106 L HA 0.107 4.449 4.340 0.003 0.000 0.223 106 L C 1.765 178.719 176.870 0.140 0.000 1.140 106 L CA 1.437 56.370 54.840 0.154 0.000 0.842 106 L CB -2.059 40.079 42.059 0.131 0.000 0.953 106 L HN 0.325 nan 8.230 nan 0.000 0.452 107 N N 0.079 118.814 118.700 0.060 0.000 2.459 107 N HA -0.161 4.581 4.740 0.003 0.000 0.181 107 N C 1.179 176.660 175.510 -0.049 0.000 1.046 107 N CA 1.176 54.233 53.050 0.012 0.000 0.904 107 N CB -0.843 37.640 38.487 -0.006 0.000 0.964 107 N HN 0.421 nan 8.380 nan 0.000 0.444 108 E N -0.977 119.165 120.200 -0.096 0.000 2.502 108 E HA 0.174 4.526 4.350 0.003 0.000 0.194 108 E C -0.755 175.359 176.600 -0.810 0.000 1.062 108 E CA 0.124 56.288 56.400 -0.393 0.000 0.867 108 E CB -0.731 28.696 29.700 -0.454 0.000 0.888 108 E HN 0.473 nan 8.360 nan 0.000 0.510 109 F N -0.555 119.384 119.950 -0.019 0.000 2.599 109 F HA 0.410 4.939 4.527 0.003 0.000 0.311 109 F C 0.875 176.653 175.800 -0.038 0.000 1.076 109 F CA -1.311 56.676 58.000 -0.023 0.000 0.937 109 F CB 2.004 41.000 39.000 -0.007 0.000 1.282 109 F HN -0.181 nan 8.300 nan 0.000 0.460 110 D N 0.357 120.828 120.400 0.118 0.000 2.323 110 D HA 0.122 4.764 4.640 0.003 0.000 0.218 110 D C -0.078 176.227 176.300 0.008 0.000 0.973 110 D CA 1.157 55.189 54.000 0.054 0.000 0.890 110 D CB 0.832 41.684 40.800 0.088 0.000 1.011 110 D HN 0.052 nan 8.370 nan 0.000 0.499 111 V N 2.037 121.888 119.914 -0.105 0.000 2.487 111 V HA 0.275 4.397 4.120 0.003 0.000 0.298 111 V C -0.057 176.021 176.094 -0.026 0.000 1.028 111 V CA -0.831 61.379 62.300 -0.149 0.000 0.860 111 V CB 2.566 34.133 31.823 -0.426 0.000 0.991 111 V HN -0.206 nan 8.190 nan 0.000 0.427 112 V N 5.396 125.317 119.914 0.011 0.000 2.350 112 V HA 0.365 4.487 4.120 0.003 0.000 0.276 112 V C -0.005 176.105 176.094 0.027 0.000 1.028 112 V CA -0.569 61.741 62.300 0.017 0.000 0.860 112 V CB 1.584 33.422 31.823 0.026 0.000 0.990 112 V HN 0.613 nan 8.190 nan 0.000 0.453 113 V N 4.198 124.129 119.914 0.029 0.000 2.348 113 V HA 0.244 4.365 4.120 0.003 0.000 0.270 113 V C 0.044 176.114 176.094 -0.040 0.000 1.037 113 V CA -0.403 61.906 62.300 0.015 0.000 0.872 113 V CB 1.472 33.312 31.823 0.029 0.000 1.002 113 V HN 0.991 nan 8.190 nan 0.000 0.464 114 D N 5.023 125.400 120.400 -0.039 0.000 2.441 114 D HA 0.452 5.094 4.640 0.003 0.000 0.221 114 D C 0.413 176.669 176.300 -0.073 0.000 1.156 114 D CA -0.233 53.726 54.000 -0.069 0.000 0.896 114 D CB 1.201 41.969 40.800 -0.052 0.000 1.028 114 D HN 0.589 nan 8.370 nan 0.000 0.509 115 A N 4.432 127.186 122.820 -0.110 0.000 2.911 115 A HA 0.312 4.634 4.320 0.003 0.000 0.304 115 A C 1.204 178.692 177.584 -0.159 0.000 1.144 115 A CA -0.466 51.512 52.037 -0.100 0.000 0.988 115 A CB -0.501 18.437 19.000 -0.103 0.000 1.141 115 A HN 0.669 nan 8.150 nan 0.000 0.552 116 I N -1.198 119.226 120.570 -0.244 0.000 2.270 116 I HA 0.115 4.287 4.170 0.003 0.000 0.239 116 I C -0.054 175.722 176.117 -0.569 0.000 1.080 116 I CA 0.997 61.999 61.300 -0.495 0.000 1.383 116 I CB -0.015 37.558 38.000 -0.712 0.000 1.097 116 I HN 0.320 nan 8.210 nan 0.000 0.420 117 F N 0.415 120.297 119.950 -0.113 0.000 2.540 117 F HA 0.600 5.129 4.527 0.003 0.000 0.317 117 F C 0.679 176.440 175.800 -0.065 0.000 1.104 117 F CA -1.178 56.752 58.000 -0.116 0.000 0.913 117 F CB 1.186 40.086 39.000 -0.166 0.000 1.170 117 F HN -0.145 nan 8.300 nan 0.000 0.450 118 G N 0.249 109.148 108.800 0.166 0.000 2.773 118 G HA2 0.489 4.451 3.960 0.003 0.000 0.186 118 G HA3 0.489 4.451 3.960 0.003 0.000 0.186 118 G C -0.208 174.723 174.900 0.053 0.000 1.411 118 G CA -0.337 44.822 45.100 0.099 0.000 1.054 118 G HN 0.657 nan 8.290 nan 0.000 0.579 119 T N -2.889 111.690 114.554 0.042 0.000 2.813 119 T HA 0.395 4.747 4.350 0.003 0.000 0.297 119 T C 1.447 176.152 174.700 0.009 0.000 1.036 119 T CA 0.865 62.970 62.100 0.007 0.000 1.044 119 T CB 0.745 69.626 68.868 0.022 0.000 0.993 119 T HN 2.118 nan 8.240 nan 0.000 0.535 120 G N 0.320 109.114 108.800 -0.009 0.000 2.361 120 G HA2 -0.220 3.742 3.960 0.003 0.000 0.294 120 G HA3 -0.220 3.742 3.960 0.003 0.000 0.294 120 G C -0.067 174.801 174.900 -0.052 0.000 1.004 120 G CA 0.354 45.444 45.100 -0.018 0.000 0.870 120 G HN 1.125 nan 8.290 nan 0.000 0.510 121 L N -0.507 120.664 121.223 -0.086 0.000 2.418 121 L HA 0.662 5.003 4.340 0.003 0.000 0.274 121 L C 1.493 178.270 176.870 -0.156 0.000 1.135 121 L CA 1.436 56.174 54.840 -0.171 0.000 0.870 121 L CB 0.519 42.426 42.059 -0.254 0.000 1.154 121 L HN 0.384 nan 8.230 nan 0.000 0.462 122 R N 4.256 124.663 120.500 -0.155 0.000 2.146 122 R HA 0.427 4.769 4.340 0.003 0.000 0.206 122 R C 0.893 177.114 176.300 -0.131 0.000 1.049 122 R CA 0.587 56.616 56.100 -0.118 0.000 1.029 122 R CB -1.189 nan 30.300 nan 0.000 0.949 122 R HN 0.797 nan 8.270 nan 0.000 0.471 123 G N 1.121 109.819 108.800 -0.169 0.000 2.425 123 G HA2 0.438 4.400 3.960 0.003 0.000 0.302 123 G HA3 0.438 4.400 3.960 0.003 0.000 0.302 123 G C -0.689 174.113 174.900 -0.164 0.000 1.159 123 G CA -0.516 44.495 45.100 -0.149 0.000 0.865 123 G HN 0.385 nan 8.290 nan 0.000 0.515 124 E N 0.603 120.737 120.200 -0.110 0.000 2.417 124 E HA -0.005 4.347 4.350 0.003 0.000 0.261 124 E C 0.259 176.801 176.600 -0.097 0.000 1.000 124 E CA 0.420 56.766 56.400 -0.089 0.000 0.919 124 E CB 1.377 31.045 29.700 -0.053 0.000 0.955 124 E HN 0.278 nan 8.360 nan 0.000 0.455 125 I N 3.408 123.923 120.570 -0.091 0.000 2.379 125 I HA 0.020 4.191 4.170 0.003 0.000 0.290 125 I C 0.990 177.116 176.117 0.014 0.000 1.063 125 I CA 0.116 61.387 61.300 -0.049 0.000 1.351 125 I CB 0.365 38.358 38.000 -0.012 0.000 1.410 125 I HN 0.461 nan 8.210 nan 0.000 0.505 126 T N 1.943 116.521 114.554 0.040 0.000 2.724 126 T HA 0.884 5.236 4.350 0.003 0.000 0.274 126 T C 0.322 175.072 174.700 0.083 0.000 0.984 126 T CA -0.202 61.926 62.100 0.046 0.000 1.024 126 T CB 1.576 70.457 68.868 0.023 0.000 1.320 126 T HN 0.953 nan 8.240 nan 0.000 0.555 127 G N 0.201 109.031 108.800 0.050 0.000 2.553 127 G HA2 -0.242 3.719 3.960 0.003 0.000 0.242 127 G HA3 -0.242 3.719 3.960 0.003 0.000 0.242 127 G C 0.511 175.420 174.900 0.014 0.000 1.277 127 G CA 0.548 45.669 45.100 0.035 0.000 0.910 127 G HN 1.007 nan 8.290 nan 0.000 0.576 128 E N -0.941 119.231 120.200 -0.046 0.000 2.208 128 E HA -0.041 4.310 4.350 0.003 0.000 0.193 128 E C 2.166 178.679 176.600 -0.145 0.000 0.988 128 E CA 1.165 57.496 56.400 -0.115 0.000 0.828 128 E CB -0.091 29.502 29.700 -0.179 0.000 0.763 128 E HN 0.533 nan 8.360 nan 0.000 0.478 129 Y N 0.553 120.822 120.300 -0.052 0.000 2.128 129 Y HA -0.252 4.299 4.550 0.003 0.000 0.284 129 Y C 2.356 178.219 175.900 -0.061 0.000 1.154 129 Y CA 1.398 59.465 58.100 -0.054 0.000 1.149 129 Y CB -0.792 37.732 38.460 0.107 0.000 0.976 129 Y HN 0.131 nan 8.280 nan 0.000 0.505 130 A N -0.285 122.621 122.820 0.144 0.000 1.865 130 A HA -0.237 4.085 4.320 0.003 0.000 0.217 130 A C 2.201 179.783 177.584 -0.004 0.000 1.191 130 A CA 2.031 54.105 52.037 0.062 0.000 0.623 130 A CB -1.212 17.819 19.000 0.051 0.000 0.826 130 A HN 0.348 nan 8.150 nan 0.000 0.444 131 E N -0.280 119.905 120.200 -0.025 0.000 2.065 131 E HA -0.232 4.120 4.350 0.003 0.000 0.201 131 E C 1.922 178.455 176.600 -0.112 0.000 1.016 131 E CA 1.577 57.950 56.400 -0.045 0.000 0.818 131 E CB -0.619 29.059 29.700 -0.038 0.000 0.749 131 E HN 0.628 nan 8.360 nan 0.000 0.453 132 I N -0.241 120.182 120.570 -0.245 0.000 2.163 132 I HA -0.258 3.913 4.170 0.003 0.000 0.243 132 I C 2.577 178.483 176.117 -0.352 0.000 1.085 132 I CA 1.668 62.634 61.300 -0.557 0.000 1.347 132 I CB -0.351 37.196 38.000 -0.755 0.000 1.044 132 I HN 0.270 nan 8.210 nan 0.000 0.408 133 I N 0.653 121.116 120.570 -0.179 0.000 2.315 133 I HA -0.268 3.904 4.170 0.003 0.000 0.248 133 I C 2.153 178.242 176.117 -0.048 0.000 1.117 133 I CA 1.104 62.350 61.300 -0.091 0.000 1.404 133 I CB -0.470 37.515 38.000 -0.025 0.000 1.071 133 I HN 0.313 nan 8.210 nan 0.000 0.419 134 N N 0.961 119.640 118.700 -0.035 0.000 2.142 134 N HA -0.111 4.630 4.740 0.003 0.000 0.186 134 N C 1.960 177.475 175.510 0.009 0.000 1.023 134 N CA 1.238 54.284 53.050 -0.006 0.000 0.852 134 N CB -0.441 38.046 38.487 0.001 0.000 0.998 134 N HN 0.288 nan 8.380 nan 0.000 0.424 135 L N 0.377 121.606 121.223 0.011 0.000 2.012 135 L HA -0.148 4.194 4.340 0.003 0.000 0.210 135 L C 2.277 179.199 176.870 0.087 0.000 1.073 135 L CA 0.857 55.742 54.840 0.074 0.000 0.748 135 L CB -0.618 41.540 42.059 0.164 0.000 0.891 135 L HN -0.032 nan 8.230 nan 0.000 0.431 136 V N 0.210 120.159 119.914 0.058 0.000 2.287 136 V HA -0.308 3.813 4.120 0.003 0.000 0.248 136 V C 2.188 178.308 176.094 0.043 0.000 1.053 136 V CA 2.041 64.379 62.300 0.063 0.000 1.027 136 V CB -0.711 31.120 31.823 0.013 0.000 0.646 136 V HN 0.507 nan 8.190 nan 0.000 0.447 137 N N -0.001 118.714 118.700 0.024 0.000 2.289 137 N HA -0.123 4.618 4.740 0.003 0.000 0.184 137 N C 1.691 177.219 175.510 0.029 0.000 1.016 137 N CA 1.079 54.143 53.050 0.023 0.000 0.872 137 N CB -0.236 38.260 38.487 0.015 0.000 0.973 137 N HN 0.515 nan 8.380 nan 0.000 0.433 138 K N 0.098 120.520 120.400 0.036 0.000 2.426 138 K HA 0.105 4.427 4.320 0.003 0.000 0.193 138 K C 1.722 178.349 176.600 0.044 0.000 1.028 138 K CA 0.234 56.544 56.287 0.038 0.000 1.047 138 K CB 0.255 32.778 32.500 0.039 0.000 0.821 138 K HN 0.173 nan 8.250 nan 0.000 0.513 139 S N -0.422 115.310 115.700 0.053 0.000 2.436 139 S HA 0.000 4.472 4.470 0.003 0.000 0.228 139 S C 1.637 176.265 174.600 0.046 0.000 1.014 139 S CA 0.732 58.968 58.200 0.060 0.000 0.950 139 S CB -0.116 63.133 63.200 0.082 0.000 0.784 139 S HN 0.366 nan 8.310 nan 0.000 0.504 140 G N 1.346 110.170 108.800 0.039 0.000 2.155 140 G HA2 -0.237 3.725 3.960 0.003 0.000 0.257 140 G HA3 -0.237 3.725 3.960 0.003 0.000 0.257 140 G C 0.084 175.004 174.900 0.034 0.000 0.983 140 G CA 0.493 45.612 45.100 0.032 0.000 0.676 140 G HN 0.529 nan 8.290 nan 0.000 0.528 141 K N -0.124 120.300 120.400 0.041 0.000 2.102 141 K HA 0.541 4.863 4.320 0.003 0.000 0.244 141 K C 0.835 177.452 176.600 0.028 0.000 1.021 141 K CA -0.678 55.633 56.287 0.040 0.000 0.913 141 K CB 1.161 33.694 32.500 0.055 0.000 1.062 141 K HN 0.088 nan 8.250 nan 0.000 0.485 142 V N 1.926 121.851 119.914 0.018 0.000 2.508 142 V HA 0.073 4.195 4.120 0.003 0.000 0.281 142 V C 0.100 176.192 176.094 -0.003 0.000 1.041 142 V CA -0.439 61.861 62.300 0.000 0.000 1.016 142 V CB 1.022 32.830 31.823 -0.026 0.000 0.984 142 V HN 0.312 nan 8.190 nan 0.000 0.478 143 V N 6.067 125.982 119.914 0.001 0.000 2.409 143 V HA 0.405 4.527 4.120 0.003 0.000 0.291 143 V C -0.176 175.917 176.094 -0.002 0.000 1.020 143 V CA -0.546 61.756 62.300 0.003 0.000 0.848 143 V CB 1.875 33.701 31.823 0.005 0.000 0.990 143 V HN 0.595 nan 8.190 nan 0.000 0.430 144 V N 4.035 123.953 119.914 0.006 0.000 2.357 144 V HA 0.415 4.536 4.120 0.003 0.000 0.284 144 V C 0.265 176.356 176.094 -0.005 0.000 1.018 144 V CA -0.235 62.066 62.300 0.002 0.000 0.841 144 V CB 1.824 33.662 31.823 0.025 0.000 0.991 144 V HN 0.889 nan 8.190 nan 0.000 0.437 145 S N 3.830 119.520 115.700 -0.017 0.000 2.499 145 S HA 0.484 4.956 4.470 0.003 0.000 0.279 145 S C -0.075 174.513 174.600 -0.021 0.000 1.219 145 S CA -0.506 57.684 58.200 -0.018 0.000 1.062 145 S CB 1.640 64.831 63.200 -0.015 0.000 0.978 145 S HN 0.465 nan 8.310 nan 0.000 0.489 146 V N 4.229 124.145 119.914 0.003 0.000 2.455 146 V HA 0.175 4.296 4.120 0.003 0.000 0.273 146 V C 1.041 177.148 176.094 0.022 0.000 1.045 146 V CA 0.257 62.586 62.300 0.047 0.000 0.976 146 V CB 0.470 32.356 31.823 0.105 0.000 0.993 146 V HN 1.052 nan 8.190 nan 0.000 0.475 147 D N 2.385 122.705 120.400 -0.133 0.000 4.173 147 D HA -0.201 4.441 4.640 0.003 0.000 0.206 147 D C 0.072 176.393 176.300 0.035 0.000 1.143 147 D CA 2.406 56.304 54.000 -0.171 0.000 2.351 147 D CB -0.524 40.308 40.800 0.054 0.000 1.180 147 D HN 0.895 nan 8.370 nan 0.000 0.409 148 V N -3.675 116.268 119.914 0.048 0.000 3.049 148 V HA 0.772 4.893 4.120 0.003 0.000 0.309 148 V C -2.825 173.278 176.094 0.016 0.000 1.148 148 V CA -1.800 60.532 62.300 0.053 0.000 0.990 148 V CB 2.019 33.769 31.823 -0.122 0.000 1.039 148 V HN 0.043 nan 8.190 nan 0.000 0.430 149 P HA 0.188 nan 4.420 nan 0.000 0.264 149 P C 0.004 177.308 177.300 0.007 0.000 1.193 149 P CA 0.484 63.584 63.100 -0.001 0.000 0.763 149 P CB 0.359 32.055 31.700 -0.007 0.000 0.810 150 S N 2.699 118.413 115.700 0.023 0.000 2.544 150 S HA 0.335 4.807 4.470 0.003 0.000 0.290 150 S C 1.574 176.237 174.600 0.105 0.000 1.276 150 S CA 1.018 59.276 58.200 0.097 0.000 1.075 150 S CB -0.412 62.816 63.200 0.048 0.000 0.849 150 S HN 0.888 nan 8.310 nan 0.000 0.494 151 G N 2.461 111.320 108.800 0.097 0.000 2.218 151 G HA2 -0.181 3.781 3.960 0.003 0.000 0.216 151 G HA3 -0.181 3.781 3.960 0.003 0.000 0.216 151 G C -0.000 174.879 174.900 -0.035 0.000 0.994 151 G CA -0.631 44.478 45.100 0.016 0.000 0.637 151 G HN 0.568 nan 8.290 nan 0.000 0.505 152 I N 2.227 122.772 120.570 -0.042 0.000 2.395 152 I HA 0.290 4.462 4.170 0.003 0.000 0.289 152 I C -0.069 175.989 176.117 -0.098 0.000 1.023 152 I CA -1.072 60.182 61.300 -0.076 0.000 1.350 152 I CB 1.254 39.194 38.000 -0.098 0.000 1.409 152 I HN 0.097 nan 8.210 nan 0.000 0.507 153 D N 4.567 124.908 120.400 -0.097 0.000 2.346 153 D HA -0.006 4.636 4.640 0.003 0.000 0.260 153 D C 1.263 177.489 176.300 -0.123 0.000 1.252 153 D CA 0.092 54.033 54.000 -0.098 0.000 0.895 153 D CB 1.005 41.761 40.800 -0.073 0.000 1.097 153 D HN 0.586 nan 8.370 nan 0.000 0.489 154 S N 2.171 117.790 115.700 -0.134 0.000 2.469 154 S HA -0.158 4.313 4.470 0.003 0.000 0.238 154 S C 1.441 175.949 174.600 -0.154 0.000 0.998 154 S CA 0.535 58.620 58.200 -0.191 0.000 0.957 154 S CB -0.118 62.987 63.200 -0.159 0.000 0.764 154 S HN 0.396 nan 8.310 nan 0.000 0.514 155 N N 0.695 119.348 118.700 -0.079 0.000 2.356 155 N HA 0.121 4.863 4.740 0.003 0.000 0.178 155 N C 1.633 177.184 175.510 0.069 0.000 1.075 155 N CA 0.924 53.969 53.050 -0.008 0.000 0.889 155 N CB 0.580 39.079 38.487 0.020 0.000 0.999 155 N HN 0.946 nan 8.380 nan 0.000 0.464 156 T N -5.420 109.140 114.554 0.009 0.000 2.966 156 T HA 0.356 4.707 4.350 0.003 0.000 0.254 156 T C 1.582 176.257 174.700 -0.041 0.000 0.961 156 T CA 0.890 63.024 62.100 0.057 0.000 0.915 156 T CB 0.409 69.302 68.868 0.042 0.000 1.186 156 T HN 0.400 nan 8.240 nan 0.000 0.505 157 G N 1.882 110.611 108.800 -0.118 0.000 2.179 157 G HA2 -0.256 3.706 3.960 0.003 0.000 0.260 157 G HA3 -0.256 3.706 3.960 0.003 0.000 0.260 157 G C -0.030 174.812 174.900 -0.097 0.000 0.977 157 G CA 0.347 45.349 45.100 -0.164 0.000 0.641 157 G HN 0.714 nan 8.290 nan 0.000 0.533 158 K N -0.005 120.364 120.400 -0.052 0.000 2.154 158 K HA 0.536 4.857 4.320 0.003 0.000 0.264 158 K C 0.496 177.076 176.600 -0.033 0.000 1.008 158 K CA -0.594 55.681 56.287 -0.020 0.000 0.937 158 K CB 1.752 34.250 32.500 -0.003 0.000 1.002 158 K HN 0.010 nan 8.250 nan 0.000 0.469 159 V N 4.258 124.162 119.914 -0.016 0.000 2.461 159 V HA 0.085 4.207 4.120 0.003 0.000 0.275 159 V C 0.107 176.184 176.094 -0.027 0.000 1.047 159 V CA -0.432 61.855 62.300 -0.021 0.000 0.955 159 V CB 0.668 32.489 31.823 -0.004 0.000 0.988 159 V HN 0.537 nan 8.190 nan 0.000 0.471 160 L N 6.859 128.056 121.223 -0.044 0.000 2.389 160 L HA 0.419 4.761 4.340 0.003 0.000 0.265 160 L C 1.451 178.295 176.870 -0.044 0.000 1.167 160 L CA 0.111 54.917 54.840 -0.058 0.000 1.045 160 L CB -0.670 41.329 42.059 -0.100 0.000 1.351 160 L HN 0.768 nan 8.230 nan 0.000 0.419 161 R N -0.139 120.345 120.500 -0.026 0.000 2.351 161 R HA -0.270 4.072 4.340 0.003 0.000 0.152 161 R C 0.529 176.827 176.300 -0.002 0.000 0.888 161 R CA 2.241 58.334 56.100 -0.012 0.000 1.886 161 R CB -0.621 29.672 30.300 -0.012 0.000 0.907 161 R HN 0.557 nan 8.270 nan 0.000 0.665 162 T N -1.479 113.074 114.554 -0.001 0.000 2.932 162 T HA 0.743 5.094 4.350 0.003 0.000 0.318 162 T C -2.048 172.660 174.700 0.013 0.000 1.265 162 T CA -0.024 62.081 62.100 0.009 0.000 1.036 162 T CB 1.899 70.777 68.868 0.016 0.000 1.209 162 T HN 0.548 nan 8.240 nan 0.000 0.484 163 A N 2.629 125.456 122.820 0.012 0.000 2.587 163 A HA 0.770 5.092 4.320 0.003 0.000 0.293 163 A C -0.834 176.755 177.584 0.009 0.000 1.087 163 A CA -0.610 51.435 52.037 0.013 0.000 0.692 163 A CB 1.525 20.525 19.000 0.000 0.000 1.291 163 A HN 0.798 nan 8.150 nan 0.000 0.407 164 V N 1.751 121.669 119.914 0.007 0.000 2.637 164 V HA 0.147 4.269 4.120 0.003 0.000 0.296 164 V C 0.679 176.773 176.094 0.000 0.000 1.046 164 V CA 0.240 62.539 62.300 -0.002 0.000 1.066 164 V CB 1.095 32.911 31.823 -0.011 0.000 0.968 164 V HN 0.784 nan 8.190 nan 0.000 0.483 165 K N 4.356 124.759 120.400 0.004 0.000 2.268 165 K HA 0.603 4.925 4.320 0.003 0.000 0.276 165 K C -0.143 176.458 176.600 0.003 0.000 1.080 165 K CA -0.337 55.954 56.287 0.006 0.000 0.910 165 K CB 0.696 33.205 32.500 0.014 0.000 1.163 165 K HN 0.832 nan 8.250 nan 0.000 0.465 166 A N 3.695 126.514 122.820 -0.003 0.000 2.303 166 A HA 0.209 4.530 4.320 0.003 0.000 0.317 166 A C 0.261 177.840 177.584 -0.008 0.000 1.149 166 A CA -0.604 51.428 52.037 -0.008 0.000 0.822 166 A CB 0.597 19.588 19.000 -0.015 0.000 1.131 166 A HN 0.911 nan 8.150 nan 0.000 0.493 167 D N -0.065 120.330 120.400 -0.008 0.000 2.183 167 D HA 0.043 4.684 4.640 0.003 0.000 0.205 167 D C -0.101 176.186 176.300 -0.021 0.000 0.962 167 D CA 1.195 55.189 54.000 -0.009 0.000 0.849 167 D CB 0.247 41.044 40.800 -0.006 0.000 0.978 167 D HN 0.329 nan 8.370 nan 0.000 0.488 168 L N 0.259 121.466 121.223 -0.028 0.000 2.431 168 L HA 0.366 4.708 4.340 0.003 0.000 0.266 168 L C -1.324 175.512 176.870 -0.057 0.000 0.978 168 L CA -0.167 54.647 54.840 -0.044 0.000 0.822 168 L CB 2.569 44.606 42.059 -0.036 0.000 1.310 168 L HN -0.327 nan 8.230 nan 0.000 0.409 169 T N 3.773 118.270 114.554 -0.095 0.000 2.848 169 T HA 0.665 5.017 4.350 0.003 0.000 0.285 169 T C -1.132 173.449 174.700 -0.198 0.000 0.995 169 T CA -0.437 61.586 62.100 -0.128 0.000 0.970 169 T CB 1.728 70.518 68.868 -0.131 0.000 0.976 169 T HN 0.360 nan 8.240 nan 0.000 0.441 170 V N 3.057 122.847 119.914 -0.206 0.000 2.350 170 V HA 0.589 4.711 4.120 0.003 0.000 0.285 170 V C 0.421 176.172 176.094 -0.572 0.000 1.014 170 V CA -0.549 61.591 62.300 -0.266 0.000 0.831 170 V CB 1.387 33.151 31.823 -0.097 0.000 1.000 170 V HN 0.962 nan 8.190 nan 0.000 0.433 171 T N 4.495 118.643 114.554 -0.678 0.000 2.919 171 T HA 0.819 5.171 4.350 0.003 0.000 0.282 171 T C -1.133 172.975 174.700 -0.985 0.000 1.020 171 T CA -0.293 61.225 62.100 -0.970 0.000 0.994 171 T CB 1.020 69.609 68.868 -0.466 0.000 1.180 171 T HN 0.268 nan 8.240 nan 0.000 0.566 172 F N 0.028 119.989 119.950 0.019 0.000 2.532 172 F HA 0.662 5.190 4.527 0.003 0.000 0.321 172 F C 1.315 177.132 175.800 0.028 0.000 1.089 172 F CA -0.133 57.893 58.000 0.043 0.000 0.926 172 F CB 1.330 40.383 39.000 0.088 0.000 1.168 172 F HN 0.828 nan 8.300 nan 0.000 0.459 173 G N 0.965 109.893 108.800 0.213 0.000 5.452 173 G HA2 -0.202 3.760 3.960 0.003 0.000 0.310 173 G HA3 -0.202 3.760 3.960 0.003 0.000 0.310 173 G C -0.289 174.613 174.900 0.003 0.000 1.392 173 G CA 0.328 45.474 45.100 0.077 0.000 0.942 173 G HN 1.458 nan 8.290 nan 0.000 0.776 174 V N -2.216 117.680 119.914 -0.030 0.000 3.078 174 V HA 0.836 4.957 4.120 0.003 0.000 0.311 174 V C -2.617 173.455 176.094 -0.037 0.000 1.138 174 V CA -1.835 60.443 62.300 -0.037 0.000 1.007 174 V CB 1.972 33.765 31.823 -0.050 0.000 1.045 174 V HN 0.542 nan 8.190 nan 0.000 0.432 175 P HA 0.250 nan 4.420 nan 0.000 0.269 175 P C -1.015 176.317 177.300 0.053 0.000 1.209 175 P CA 0.062 63.164 63.100 0.005 0.000 0.776 175 P CB 0.408 32.084 31.700 -0.039 0.000 0.876 176 K N 1.532 122.055 120.400 0.206 0.000 2.098 176 K HA 0.254 4.576 4.320 0.003 0.000 0.258 176 K C 1.608 178.058 176.600 -0.251 0.000 0.973 176 K CA -0.933 55.297 56.287 -0.094 0.000 0.898 176 K CB 0.658 33.009 32.500 -0.248 0.000 1.057 176 K HN 0.099 nan 8.250 nan 0.000 0.447 177 I N 1.232 121.615 120.570 -0.311 0.000 2.248 177 I HA -0.215 3.957 4.170 0.003 0.000 0.248 177 I C 2.244 178.104 176.117 -0.428 0.000 1.107 177 I CA 2.138 63.157 61.300 -0.467 0.000 1.373 177 I CB -1.257 36.476 38.000 -0.445 0.000 1.055 177 I HN 0.938 nan 8.210 nan 0.000 0.418 178 G N -1.472 107.099 108.800 -0.382 0.000 2.598 178 G HA2 -0.207 3.755 3.960 0.003 0.000 0.215 178 G HA3 -0.207 3.755 3.960 0.003 0.000 0.215 178 G C 1.227 175.877 174.900 -0.416 0.000 1.131 178 G CA 0.478 45.351 45.100 -0.379 0.000 0.785 178 G HN 0.679 nan 8.290 nan 0.000 0.539 179 H N -0.854 118.050 119.070 -0.277 0.000 2.548 179 H HA 0.277 4.835 4.556 0.003 0.000 0.268 179 H C 2.051 177.158 175.328 -0.368 0.000 0.975 179 H CA 0.358 56.235 56.048 -0.284 0.000 1.195 179 H CB 0.405 30.025 29.762 -0.237 0.000 1.397 179 H HN 0.379 nan 8.280 nan 0.000 0.572 180 I N -0.260 120.103 120.570 -0.346 0.000 3.883 180 I HA 0.067 4.238 4.170 0.003 0.000 0.305 180 I C -0.028 175.763 176.117 -0.544 0.000 1.247 180 I CA 0.157 61.197 61.300 -0.432 0.000 1.350 180 I CB 0.775 38.434 38.000 -0.568 0.000 1.194 180 I HN 0.005 nan 8.210 nan 0.000 0.441 181 L N 0.532 121.405 121.223 -0.582 0.000 2.343 181 L HA 0.392 4.733 4.340 0.003 0.000 0.275 181 L C -0.725 175.729 176.870 -0.694 0.000 1.056 181 L CA -0.641 53.794 54.840 -0.675 0.000 0.804 181 L CB 1.066 42.805 42.059 -0.534 0.000 1.203 181 L HN -0.109 nan 8.230 nan 0.000 0.440 182 F N 2.023 121.545 119.950 -0.713 0.000 2.380 182 F HA 0.251 4.780 4.527 0.002 0.000 0.325 182 F C -1.018 174.643 175.800 -0.231 0.000 1.136 182 F CA -1.260 56.535 58.000 -0.343 0.000 1.171 182 F CB 0.206 39.112 39.000 -0.157 0.000 1.230 182 F HN 0.388 nan 8.300 nan 0.000 0.554 183 P HA -0.044 nan 4.420 nan 0.000 0.229 183 P C 1.540 178.836 177.300 -0.006 0.000 1.160 183 P CA 1.218 64.410 63.100 0.153 0.000 0.777 183 P CB -0.117 31.643 31.700 0.099 0.000 0.814 184 G N 1.389 110.116 108.800 -0.122 0.000 2.547 184 G HA2 -0.329 3.633 3.960 0.003 0.000 0.221 184 G HA3 -0.329 3.633 3.960 0.003 0.000 0.221 184 G C 1.873 176.623 174.900 -0.250 0.000 1.140 184 G CA 0.917 45.908 45.100 -0.181 0.000 0.760 184 G HN 0.296 nan 8.290 nan 0.000 0.583 185 R N 0.159 120.361 120.500 -0.496 0.000 2.120 185 R HA -0.079 4.263 4.340 0.003 0.000 0.234 185 R C 2.135 178.206 176.300 -0.383 0.000 1.123 185 R CA 1.724 57.448 56.100 -0.627 0.000 0.975 185 R CB -0.301 29.238 30.300 -1.267 0.000 0.866 185 R HN 0.411 nan 8.270 nan 0.000 0.446 186 D N -0.070 120.218 120.400 -0.187 0.000 2.123 186 D HA -0.087 4.555 4.640 0.003 0.000 0.200 186 D C 1.846 178.158 176.300 0.020 0.000 0.976 186 D CA 0.894 54.943 54.000 0.083 0.000 0.831 186 D CB 0.076 41.044 40.800 0.280 0.000 0.974 186 D HN 0.218 nan 8.370 nan 0.000 0.469 187 L N -0.083 121.136 121.223 -0.007 0.000 2.275 187 L HA -0.062 4.279 4.340 0.003 0.000 0.215 187 L C 2.147 179.007 176.870 -0.017 0.000 1.119 187 L CA 0.952 55.788 54.840 -0.007 0.000 0.790 187 L CB -0.481 41.571 42.059 -0.011 0.000 0.919 187 L HN 0.104 nan 8.230 nan 0.000 0.443 188 T N -0.475 114.058 114.554 -0.035 0.000 2.867 188 T HA 0.059 4.411 4.350 0.003 0.000 0.268 188 T C 1.332 176.007 174.700 -0.043 0.000 1.057 188 T CA 0.853 62.938 62.100 -0.024 0.000 1.136 188 T CB -0.177 68.683 68.868 -0.014 0.000 0.874 188 T HN 0.645 nan 8.240 nan 0.000 0.466 189 G N 1.253 110.032 108.800 -0.037 0.000 2.547 189 G HA2 -0.309 3.652 3.960 0.003 0.000 0.271 189 G HA3 -0.309 3.652 3.960 0.003 0.000 0.271 189 G C 0.087 174.958 174.900 -0.049 0.000 1.209 189 G CA 0.096 45.179 45.100 -0.028 0.000 0.959 189 G HN 0.542 nan 8.290 nan 0.000 0.563 190 K N -0.260 120.113 120.400 -0.046 0.000 2.383 190 K HA 0.483 4.804 4.320 0.003 0.000 0.286 190 K C 0.049 176.590 176.600 -0.099 0.000 1.051 190 K CA 0.191 56.444 56.287 -0.058 0.000 0.974 190 K CB 0.519 32.995 32.500 -0.041 0.000 0.968 190 K HN 1.186 nan 8.250 nan 0.000 0.475 191 L N 4.491 125.637 121.223 -0.128 0.000 2.282 191 L HA 0.493 4.834 4.340 0.003 0.000 0.288 191 L C -0.372 176.394 176.870 -0.174 0.000 1.033 191 L CA 0.228 54.944 54.840 -0.205 0.000 0.807 191 L CB 1.111 43.004 42.059 -0.278 0.000 1.209 191 L HN 0.645 nan 8.230 nan 0.000 0.423 192 K N 4.000 124.289 120.400 -0.185 0.000 2.244 192 K HA 0.612 4.934 4.320 0.003 0.000 0.260 192 K C -1.344 175.148 176.600 -0.180 0.000 0.951 192 K CA -0.790 55.413 56.287 -0.141 0.000 0.826 192 K CB 2.214 34.659 32.500 -0.091 0.000 1.108 192 K HN 0.373 nan 8.250 nan 0.000 0.433 193 V N 2.916 122.751 119.914 -0.131 0.000 2.311 193 V HA 0.352 4.474 4.120 0.003 0.000 0.275 193 V C -0.140 175.935 176.094 -0.032 0.000 1.022 193 V CA -0.813 61.416 62.300 -0.117 0.000 0.830 193 V CB 1.007 32.774 31.823 -0.094 0.000 1.012 193 V HN 0.884 nan 8.190 nan 0.000 0.452 194 A N 4.147 126.979 122.820 0.019 0.000 2.327 194 A HA 0.572 4.894 4.320 0.003 0.000 0.283 194 A C 0.208 177.881 177.584 0.149 0.000 1.127 194 A CA -0.459 51.645 52.037 0.112 0.000 0.810 194 A CB 0.344 19.478 19.000 0.224 0.000 1.066 194 A HN 0.809 nan 8.150 nan 0.000 0.492 195 N N 1.691 120.451 118.700 0.099 0.000 2.406 195 N HA 0.260 5.001 4.740 0.003 0.000 0.251 195 N C 0.156 175.704 175.510 0.064 0.000 1.069 195 N CA -0.332 52.771 53.050 0.090 0.000 0.947 195 N CB 0.213 38.729 38.487 0.048 0.000 1.111 195 N HN 0.564 nan 8.380 nan 0.000 0.497 196 I N 0.312 120.917 120.570 0.059 0.000 3.974 196 I HA 0.541 4.713 4.170 0.003 0.000 0.334 196 I C 0.950 176.950 176.117 -0.194 0.000 1.437 196 I CA -0.281 60.976 61.300 -0.072 0.000 1.113 196 I CB 0.149 38.071 38.000 -0.129 0.000 1.063 196 I HN 0.559 nan 8.210 nan 0.000 0.400 197 G N 0.836 109.544 108.800 -0.153 0.000 2.192 197 G HA2 -0.209 3.753 3.960 0.003 0.000 0.193 197 G HA3 -0.209 3.753 3.960 0.003 0.000 0.193 197 G C -0.076 174.697 174.900 -0.211 0.000 0.999 197 G CA -0.205 44.793 45.100 -0.171 0.000 0.659 197 G HN 0.633 nan 8.290 nan 0.000 0.503 198 H N 1.958 120.981 119.070 -0.079 0.000 2.972 198 H HA 0.366 4.924 4.556 0.003 0.000 0.343 198 H C -1.937 173.292 175.328 -0.165 0.000 1.054 198 H CA -0.161 55.811 56.048 -0.127 0.000 1.412 198 H CB 0.266 29.972 29.762 -0.094 0.000 1.385 198 H HN 0.146 nan 8.280 nan 0.000 0.600 199 P HA -0.116 nan 4.420 nan 0.000 0.262 199 P C 0.692 177.956 177.300 -0.061 0.000 1.182 199 P CA 0.142 63.111 63.100 -0.218 0.000 0.761 199 P CB 0.671 32.028 31.700 -0.573 0.000 0.795 200 V N 2.530 122.441 119.914 -0.006 0.000 2.568 200 V HA -0.282 3.840 4.120 0.003 0.000 0.253 200 V C 2.191 178.320 176.094 0.059 0.000 1.072 200 V CA 1.804 64.121 62.300 0.029 0.000 1.084 200 V CB -1.430 30.415 31.823 0.037 0.000 0.676 200 V HN 0.776 nan 8.190 nan 0.000 0.469 201 H N 0.065 119.128 119.070 -0.011 0.000 2.319 201 H HA -0.153 4.404 4.556 0.003 0.000 0.299 201 H C 2.262 177.597 175.328 0.011 0.000 1.092 201 H CA 2.025 58.084 56.048 0.018 0.000 1.302 201 H CB 0.059 29.856 29.762 0.058 0.000 1.373 201 H HN 0.357 nan 8.280 nan 0.000 0.497 202 L N 0.566 121.737 121.223 -0.088 0.000 2.141 202 L HA -0.186 4.156 4.340 0.003 0.000 0.209 202 L C 2.711 179.493 176.870 -0.145 0.000 1.094 202 L CA 0.347 55.098 54.840 -0.149 0.000 0.763 202 L CB -0.256 41.756 42.059 -0.078 0.000 0.908 202 L HN 0.335 nan 8.230 nan 0.000 0.437 203 I N 0.414 120.926 120.570 -0.096 0.000 2.286 203 I HA -0.253 3.919 4.170 0.003 0.000 0.248 203 I C 1.732 177.809 176.117 -0.068 0.000 1.115 203 I CA 1.459 62.711 61.300 -0.081 0.000 1.392 203 I CB -1.069 36.913 38.000 -0.030 0.000 1.065 203 I HN 0.381 nan 8.210 nan 0.000 0.418 204 N N 0.952 119.615 118.700 -0.062 0.000 2.398 204 N HA 0.017 4.759 4.740 0.003 0.000 0.188 204 N C 1.806 177.266 175.510 -0.083 0.000 1.122 204 N CA 0.873 53.907 53.050 -0.028 0.000 0.866 204 N CB -0.143 38.352 38.487 0.013 0.000 0.970 204 N HN 0.371 nan 8.380 nan 0.000 0.462 205 S N 0.683 116.278 115.700 -0.176 0.000 2.547 205 S HA 0.032 4.504 4.470 0.003 0.000 0.235 205 S C 0.895 175.426 174.600 -0.114 0.000 0.980 205 S CA 0.384 58.480 58.200 -0.174 0.000 0.941 205 S CB -0.265 62.813 63.200 -0.204 0.000 0.763 205 S HN 0.016 nan 8.310 nan 0.000 0.532 206 I N 2.294 122.787 120.570 -0.128 0.000 2.441 206 I HA 0.175 4.346 4.170 0.003 0.000 0.287 206 I C 1.195 177.118 176.117 -0.323 0.000 1.049 206 I CA 0.003 61.194 61.300 -0.182 0.000 1.381 206 I CB 0.075 37.964 38.000 -0.185 0.000 1.409 206 I HN 0.353 nan 8.210 nan 0.000 0.523 207 N N 7.085 125.600 118.700 -0.309 0.000 2.238 207 N HA 0.180 4.922 4.740 0.003 0.000 0.222 207 N C 0.557 175.778 175.510 -0.482 0.000 1.133 207 N CA -0.294 52.551 53.050 -0.341 0.000 0.854 207 N CB 0.363 38.786 38.487 -0.106 0.000 1.041 207 N HN 0.555 nan 8.380 nan 0.000 0.510 208 R N -0.222 119.904 120.500 -0.623 0.000 2.621 208 R HA 0.633 4.975 4.340 0.003 0.000 0.292 208 R C -1.763 174.237 176.300 -0.500 0.000 0.969 208 R CA -0.547 55.291 56.100 -0.436 0.000 0.887 208 R CB 1.581 31.818 30.300 -0.104 0.000 1.180 208 R HN 0.357 nan 8.270 nan 0.000 0.450 209 Y N -0.247 120.086 120.300 0.055 0.000 2.504 209 Y HA 0.288 4.840 4.550 0.003 0.000 0.344 209 Y C -0.063 175.941 175.900 0.173 0.000 1.023 209 Y CA -1.139 57.008 58.100 0.078 0.000 1.020 209 Y CB 1.711 40.173 38.460 0.004 0.000 1.282 209 Y HN 0.165 nan 8.280 nan 0.000 0.454 210 V N 4.079 124.184 119.914 0.320 0.000 2.614 210 V HA 0.165 4.287 4.120 0.003 0.000 0.291 210 V C 0.295 176.497 176.094 0.180 0.000 1.049 210 V CA -0.463 61.988 62.300 0.252 0.000 1.038 210 V CB 0.602 32.516 31.823 0.151 0.000 0.980 210 V HN 0.551 nan 8.190 nan 0.000 0.481 211 I N 5.005 125.676 120.570 0.169 0.000 2.452 211 I HA 0.230 4.402 4.170 0.003 0.000 0.287 211 I C 0.854 177.022 176.117 0.083 0.000 1.079 211 I CA 0.304 61.660 61.300 0.094 0.000 1.387 211 I CB 0.802 38.889 38.000 0.144 0.000 1.404 211 I HN 0.819 nan 8.210 nan 0.000 0.522 212 T N 2.396 116.902 114.554 -0.078 0.000 2.952 212 T HA 0.362 4.713 4.350 0.003 0.000 0.286 212 T C 1.016 175.453 174.700 -0.440 0.000 1.024 212 T CA -0.861 61.165 62.100 -0.123 0.000 1.029 212 T CB 2.047 70.865 68.868 -0.084 0.000 1.094 212 T HN 0.587 nan 8.240 nan 0.000 0.515 213 R N 0.716 120.989 120.500 -0.377 0.000 2.096 213 R HA -0.051 4.291 4.340 0.003 0.000 0.240 213 R C 1.337 177.428 176.300 -0.347 0.000 1.139 213 R CA 1.987 57.806 56.100 -0.469 0.000 0.952 213 R CB -0.976 29.211 30.300 -0.189 0.000 0.854 213 R HN 0.935 nan 8.270 nan 0.000 0.436 217 R N 1.746 122.126 120.500 -0.200 0.000 2.096 217 R HA -0.205 4.137 4.340 0.003 0.000 0.240 217 R C 2.310 178.555 176.300 -0.091 0.000 1.139 217 R CA 2.360 58.393 56.100 -0.112 0.000 0.952 217 R CB -0.203 30.043 30.300 -0.090 0.000 0.854 217 R HN 0.703 nan 8.270 nan 0.000 0.436 218 S N -0.404 115.232 115.700 -0.108 0.000 2.481 218 S HA -0.024 4.447 4.470 0.003 0.000 0.231 218 S C 1.833 176.382 174.600 -0.084 0.000 0.996 218 S CA 0.562 58.712 58.200 -0.084 0.000 0.942 218 S CB -0.020 63.127 63.200 -0.087 0.000 0.768 218 S HN 0.349 nan 8.310 nan 0.000 0.520 219 L N 0.066 121.220 121.223 -0.114 0.000 2.513 219 L HA 0.368 4.710 4.340 0.003 0.000 0.222 219 L C 0.361 177.171 176.870 -0.100 0.000 1.096 219 L CA -0.311 54.461 54.840 -0.114 0.000 0.857 219 L CB -0.159 41.805 42.059 -0.160 0.000 1.026 219 L HN 0.262 nan 8.230 nan 0.000 0.469 220 L N 2.638 123.806 121.223 -0.092 0.000 2.559 220 L HA 0.070 4.412 4.340 0.003 0.000 0.274 220 L C -1.669 175.226 176.870 0.042 0.000 1.205 220 L CA -1.115 53.706 54.840 -0.032 0.000 0.907 220 L CB -0.277 41.783 42.059 0.002 0.000 1.153 220 L HN -0.117 nan 8.230 nan 0.000 0.490 221 P HA 0.069 nan 4.420 nan 0.000 0.270 221 P C -0.699 176.677 177.300 0.127 0.000 1.223 221 P CA -0.402 62.778 63.100 0.132 0.000 0.785 221 P CB 0.457 32.281 31.700 0.206 0.000 0.923 222 E N 1.636 121.908 120.200 0.121 0.000 2.338 222 E HA 0.112 4.463 4.350 0.003 0.000 0.272 222 E C 0.209 176.925 176.600 0.194 0.000 1.029 222 E CA -0.113 56.357 56.400 0.117 0.000 0.872 222 E CB 0.624 30.375 29.700 0.084 0.000 1.015 222 E HN 0.225 nan 8.360 nan 0.000 0.417 223 R N 3.193 123.789 120.500 0.160 0.000 3.050 223 R HA 0.268 4.609 4.340 0.003 0.000 0.275 223 R C -2.102 174.297 176.300 0.164 0.000 1.373 223 R CA -1.744 54.479 56.100 0.205 0.000 1.612 223 R CB -0.151 30.189 30.300 0.066 0.000 1.218 223 R HN 0.328 nan 8.270 nan 0.000 0.621 224 P HA 0.157 nan 4.420 nan 0.000 0.267 224 P C 0.550 177.897 177.300 0.078 0.000 1.205 224 P CA -0.276 62.874 63.100 0.082 0.000 0.765 224 P CB 1.161 32.887 31.700 0.044 0.000 0.828 225 R N 1.317 121.843 120.500 0.044 0.000 2.103 225 R HA -0.146 4.195 4.340 0.003 0.000 0.242 225 R C 0.586 176.882 176.300 -0.007 0.000 1.142 225 R CA 1.337 57.451 56.100 0.024 0.000 0.960 225 R CB -0.437 29.870 30.300 0.011 0.000 0.858 225 R HN 0.528 nan 8.270 nan 0.000 0.439 226 D N 1.722 122.110 120.400 -0.020 0.000 2.619 226 D HA 0.047 4.688 4.640 0.003 0.000 0.224 226 D C -0.795 175.443 176.300 -0.104 0.000 1.133 226 D CA -0.069 53.892 54.000 -0.064 0.000 1.017 226 D CB 0.111 40.895 40.800 -0.027 0.000 1.077 226 D HN 0.143 nan 8.370 nan 0.000 0.503 227 S N 1.455 117.058 115.700 -0.162 0.000 2.671 227 S HA 0.630 5.102 4.470 0.003 0.000 0.299 227 S C -0.368 174.026 174.600 -0.343 0.000 1.116 227 S CA -0.948 57.153 58.200 -0.165 0.000 0.912 227 S CB 2.199 65.379 63.200 -0.033 0.000 1.130 227 S HN 0.308 nan 8.310 nan 0.000 0.501 228 H N -0.396 118.657 119.070 -0.028 0.000 2.908 228 H HA 0.460 5.018 4.556 0.003 0.000 0.350 228 H C 0.596 175.960 175.328 0.060 0.000 1.217 228 H CA -0.875 55.189 56.048 0.026 0.000 1.168 228 H CB 1.632 31.391 29.762 -0.006 0.000 1.891 228 H HN 0.689 nan 8.280 nan 0.000 0.566 229 K N 0.804 121.342 120.400 0.229 0.000 2.077 229 K HA -0.203 4.119 4.320 0.003 0.000 0.213 229 K C 1.913 178.591 176.600 0.129 0.000 1.051 229 K CA 1.971 58.373 56.287 0.191 0.000 0.929 229 K CB -0.662 31.914 32.500 0.128 0.000 0.715 229 K HN 0.768 nan 8.250 nan 0.000 0.451 230 G N -0.134 108.712 108.800 0.076 0.000 2.469 230 G HA2 -0.275 3.686 3.960 0.003 0.000 0.220 230 G HA3 -0.275 3.686 3.960 0.003 0.000 0.220 230 G C 1.341 176.208 174.900 -0.054 0.000 1.136 230 G CA 1.559 46.667 45.100 0.014 0.000 0.759 230 G HN 0.364 nan 8.290 nan 0.000 0.562 231 T N 0.048 114.502 114.554 -0.168 0.000 2.778 231 T HA -0.164 4.188 4.350 0.003 0.000 0.269 231 T C 1.402 175.814 174.700 -0.480 0.000 1.050 231 T CA 1.276 63.118 62.100 -0.430 0.000 1.137 231 T CB -0.285 68.103 68.868 -0.799 0.000 0.860 231 T HN 0.459 nan 8.240 nan 0.000 0.468 232 Y N 0.976 121.295 120.300 0.032 0.000 2.607 232 Y HA 0.496 5.048 4.550 0.003 0.000 0.266 232 Y C 1.401 177.307 175.900 0.009 0.000 1.178 232 Y CA -0.616 57.495 58.100 0.017 0.000 1.226 232 Y CB -0.141 38.323 38.460 0.006 0.000 1.144 232 Y HN 0.332 nan 8.280 nan 0.000 0.528 233 G N 1.053 109.910 108.800 0.095 0.000 2.781 233 G HA2 -0.180 3.781 3.960 0.003 0.000 0.683 233 G HA3 -0.180 3.781 3.960 0.003 0.000 0.683 233 G C -0.897 174.040 174.900 0.061 0.000 1.390 233 G CA -1.055 44.084 45.100 0.067 0.000 0.850 233 G HN 0.200 nan 8.290 nan 0.000 0.557 234 K N -0.517 119.911 120.400 0.046 0.000 2.471 234 K HA 0.648 4.970 4.320 0.003 0.000 0.252 234 K C -0.455 176.168 176.600 0.040 0.000 0.938 234 K CA -0.819 55.493 56.287 0.042 0.000 0.796 234 K CB 2.787 35.310 32.500 0.039 0.000 1.161 234 K HN 0.495 nan 8.250 nan 0.000 0.425 235 V N 3.802 123.738 119.914 0.036 0.000 2.459 235 V HA 0.396 4.517 4.120 0.003 0.000 0.295 235 V C -0.881 175.240 176.094 0.045 0.000 1.029 235 V CA -0.957 61.365 62.300 0.037 0.000 0.874 235 V CB 1.553 33.389 31.823 0.022 0.000 0.985 235 V HN 0.553 nan 8.190 nan 0.000 0.438 236 L N 6.265 127.522 121.223 0.057 0.000 2.317 236 L HA 0.677 5.019 4.340 0.003 0.000 0.281 236 L C -0.666 176.236 176.870 0.053 0.000 1.024 236 L CA 0.166 55.043 54.840 0.062 0.000 0.810 236 L CB 1.290 43.400 42.059 0.085 0.000 1.240 236 L HN 0.557 nan 8.230 nan 0.000 0.427 237 I N 6.136 126.732 120.570 0.044 0.000 2.439 237 I HA 0.380 4.552 4.170 0.003 0.000 0.285 237 I C -0.823 175.306 176.117 0.020 0.000 1.021 237 I CA -0.277 61.043 61.300 0.033 0.000 1.091 237 I CB 1.702 39.727 38.000 0.042 0.000 1.242 237 I HN 0.491 nan 8.210 nan 0.000 0.439 238 I N 6.504 127.047 120.570 -0.045 0.000 2.328 238 I HA 0.711 4.883 4.170 0.003 0.000 0.287 238 I C 0.107 176.185 176.117 -0.066 0.000 1.012 238 I CA 0.081 61.293 61.300 -0.146 0.000 1.195 238 I CB 1.155 38.903 38.000 -0.420 0.000 1.350 238 I HN 0.669 nan 8.210 nan 0.000 0.464 239 A N 4.554 127.444 122.820 0.116 0.000 2.586 239 A HA 0.922 5.244 4.320 0.003 0.000 0.290 239 A C -0.287 177.468 177.584 0.285 0.000 1.086 239 A CA -0.155 51.986 52.037 0.172 0.000 0.665 239 A CB 1.153 20.219 19.000 0.110 0.000 1.279 239 A HN 1.153 nan 8.150 nan 0.000 0.423 240 G N -0.930 108.009 108.800 0.231 0.000 2.746 240 G HA2 0.564 4.526 3.960 0.003 0.000 0.685 240 G HA3 0.564 4.526 3.960 0.003 0.000 0.685 240 G C -0.137 174.853 174.900 0.150 0.000 1.350 240 G CA 0.235 45.442 45.100 0.178 0.000 0.837 240 G HN 2.995 nan 8.290 nan 0.000 0.564 241 S N -1.479 114.216 115.700 -0.009 0.000 2.627 241 S HA 0.641 5.113 4.470 0.003 0.000 0.268 241 S C 1.087 175.473 174.600 -0.357 0.000 1.130 241 S CA 0.386 58.429 58.200 -0.262 0.000 0.819 241 S CB 1.039 64.115 63.200 -0.207 0.000 1.100 241 S HN 2.071 nan 8.310 nan 0.000 0.465 242 R N 0.270 120.424 120.500 -0.577 0.000 2.159 242 R HA 0.019 4.360 4.340 0.003 0.000 0.237 242 R C 1.351 177.428 176.300 -0.370 0.000 1.131 242 R CA 1.728 57.569 56.100 -0.432 0.000 0.982 242 R CB -0.910 29.122 30.300 -0.447 0.000 0.868 242 R HN 0.641 nan 8.270 nan 0.000 0.453 243 L N -0.512 120.430 121.223 -0.469 0.000 2.202 243 L HA 0.068 4.410 4.340 0.003 0.000 0.205 243 L C 0.411 176.872 176.870 -0.682 0.000 1.083 243 L CA 0.496 54.982 54.840 -0.589 0.000 0.790 243 L CB 0.078 41.633 42.059 -0.840 0.000 0.942 243 L HN 0.108 nan 8.230 nan 0.000 0.452 244 Y N -0.569 119.715 120.300 -0.028 0.000 2.915 244 Y HA 0.181 4.733 4.550 0.003 0.000 0.350 244 Y C 1.433 177.323 175.900 -0.018 0.000 1.061 244 Y CA -0.871 57.230 58.100 0.002 0.000 1.179 244 Y CB 0.191 38.680 38.460 0.048 0.000 1.180 244 Y HN -0.008 nan 8.280 nan 0.000 0.605 245 S N -1.185 114.532 115.700 0.027 0.000 2.470 245 S HA 0.001 4.472 4.470 0.003 0.000 0.225 245 S C 1.928 176.547 174.600 0.032 0.000 1.006 245 S CA 0.686 58.884 58.200 -0.004 0.000 0.934 245 S CB 0.011 63.172 63.200 -0.065 0.000 0.778 245 S HN 0.688 nan 8.310 nan 0.000 0.517 246 G N 0.841 109.676 108.800 0.059 0.000 2.744 246 G HA2 0.394 4.356 3.960 0.003 0.000 0.211 246 G HA3 0.394 4.356 3.960 0.003 0.000 0.211 246 G C 1.467 176.415 174.900 0.080 0.000 1.146 246 G CA 0.330 45.464 45.100 0.057 0.000 0.787 246 G HN 0.622 nan 8.290 nan 0.000 0.534 247 A N 1.987 124.867 122.820 0.099 0.000 1.917 247 A HA -0.007 4.315 4.320 0.003 0.000 0.219 247 A C 0.632 178.269 177.584 0.089 0.000 1.182 247 A CA 1.906 53.998 52.037 0.091 0.000 0.633 247 A CB -1.138 17.919 19.000 0.095 0.000 0.819 247 A HN 0.355 nan 8.150 nan 0.000 0.448 248 P HA -0.077 nan 4.420 nan 0.000 0.218 248 P C 1.505 178.865 177.300 0.099 0.000 1.149 248 P CA 1.197 64.353 63.100 0.093 0.000 0.817 248 P CB -0.102 31.656 31.700 0.096 0.000 0.785 249 V N -0.684 119.299 119.914 0.115 0.000 2.379 249 V HA -0.197 3.925 4.120 0.003 0.000 0.245 249 V C 2.404 178.609 176.094 0.185 0.000 1.044 249 V CA 1.555 63.959 62.300 0.174 0.000 1.036 249 V CB -1.257 30.668 31.823 0.169 0.000 0.664 249 V HN 0.057 nan 8.190 nan 0.000 0.453 250 L N -0.129 121.178 121.223 0.140 0.000 2.027 250 L HA -0.128 4.214 4.340 0.003 0.000 0.206 250 L C 2.690 179.598 176.870 0.064 0.000 1.074 250 L CA 1.636 56.543 54.840 0.111 0.000 0.745 250 L CB -0.706 41.409 42.059 0.094 0.000 0.898 250 L HN 0.278 nan 8.230 nan 0.000 0.433 251 S N -0.038 115.698 115.700 0.059 0.000 2.359 251 S HA -0.077 4.395 4.470 0.003 0.000 0.224 251 S C 1.280 175.890 174.600 0.018 0.000 1.035 251 S CA 0.867 59.090 58.200 0.038 0.000 1.018 251 S CB -0.702 62.523 63.200 0.042 0.000 0.876 251 S HN 0.546 nan 8.310 nan 0.000 0.448 255 S N 1.073 116.719 115.700 -0.091 0.000 2.368 255 S HA 0.029 4.501 4.470 0.003 0.000 0.225 255 S C 2.298 176.807 174.600 -0.151 0.000 1.030 255 S CA 1.293 59.422 58.200 -0.118 0.000 0.999 255 S CB -0.275 62.884 63.200 -0.068 0.000 0.844 255 S HN 0.302 nan 8.310 nan 0.000 0.459 256 L N 1.126 122.266 121.223 -0.138 0.000 2.027 256 L HA -0.064 4.277 4.340 0.003 0.000 0.206 256 L C 2.356 179.129 176.870 -0.162 0.000 1.074 256 L CA 0.933 55.687 54.840 -0.144 0.000 0.745 256 L CB -0.434 41.535 42.059 -0.150 0.000 0.898 256 L HN 0.133 nan 8.230 nan 0.000 0.433 257 K N 0.204 120.504 120.400 -0.166 0.000 2.281 257 K HA -0.110 4.212 4.320 0.003 0.000 0.203 257 K C 1.725 178.242 176.600 -0.139 0.000 1.046 257 K CA 1.350 57.553 56.287 -0.139 0.000 0.938 257 K CB -0.475 31.955 32.500 -0.116 0.000 0.737 257 K HN 0.416 nan 8.250 nan 0.000 0.458 258 V N -3.856 115.926 119.914 -0.220 0.000 3.647 258 V HA 0.383 4.505 4.120 0.003 0.000 0.279 258 V C 0.982 176.861 176.094 -0.358 0.000 1.314 258 V CA 0.576 62.664 62.300 -0.354 0.000 1.125 258 V CB -0.059 31.275 31.823 -0.815 0.000 0.907 258 V HN 0.284 nan 8.190 nan 0.000 0.434 259 G N -0.133 108.511 108.800 -0.259 0.000 2.141 259 G HA2 -0.182 3.780 3.960 0.003 0.000 0.164 259 G HA3 -0.182 3.780 3.960 0.003 0.000 0.164 259 G C 0.036 174.810 174.900 -0.211 0.000 1.009 259 G CA -0.054 44.897 45.100 -0.247 0.000 0.677 259 G HN 0.601 nan 8.290 nan 0.000 0.508 260 T N 0.365 114.827 114.554 -0.152 0.000 2.918 260 T HA 0.485 4.837 4.350 0.003 0.000 0.302 260 T C 1.782 176.482 174.700 0.000 0.000 1.045 260 T CA 0.635 62.705 62.100 -0.050 0.000 1.114 260 T CB 1.589 70.417 68.868 -0.068 0.000 0.965 260 T HN 0.726 nan 8.240 nan 0.000 0.540 261 G N 1.432 110.289 108.800 0.094 0.000 2.396 261 G HA2 0.179 4.141 3.960 0.003 0.000 0.214 261 G HA3 0.179 4.141 3.960 0.003 0.000 0.214 261 G C 0.174 175.113 174.900 0.064 0.000 1.166 261 G CA 0.281 45.453 45.100 0.120 0.000 0.793 261 G HN 0.580 nan 8.290 nan 0.000 0.533 262 L N 0.540 121.793 121.223 0.050 0.000 2.470 262 L HA 0.634 4.976 4.340 0.003 0.000 0.268 262 L C -1.621 175.265 176.870 0.028 0.000 0.964 262 L CA -0.717 54.146 54.840 0.038 0.000 0.839 262 L CB 2.520 44.606 42.059 0.045 0.000 1.276 262 L HN -0.105 nan 8.230 nan 0.000 0.403 263 V N 4.448 124.375 119.914 0.021 0.000 2.531 263 V HA 0.516 4.638 4.120 0.003 0.000 0.301 263 V C -0.580 175.535 176.094 0.034 0.000 1.034 263 V CA -0.688 61.624 62.300 0.020 0.000 0.865 263 V CB 1.854 33.678 31.823 0.000 0.000 0.995 263 V HN 0.686 nan 8.190 nan 0.000 0.424 264 K N 4.898 125.323 120.400 0.042 0.000 2.345 264 K HA 0.770 5.091 4.320 0.003 0.000 0.255 264 K C -1.525 175.112 176.600 0.061 0.000 0.934 264 K CA -0.662 55.657 56.287 0.053 0.000 0.801 264 K CB 1.619 34.152 32.500 0.055 0.000 1.137 264 K HN 0.647 nan 8.250 nan 0.000 0.424 265 L N 2.596 123.862 121.223 0.071 0.000 2.325 265 L HA 0.676 5.018 4.340 0.003 0.000 0.278 265 L C -0.304 176.630 176.870 0.106 0.000 1.023 265 L CA -1.158 53.733 54.840 0.085 0.000 0.811 265 L CB 1.918 44.030 42.059 0.089 0.000 1.249 265 L HN 0.664 nan 8.230 nan 0.000 0.431 266 A N 3.158 126.062 122.820 0.140 0.000 2.267 266 A HA 0.772 5.093 4.320 0.003 0.000 0.315 266 A C -0.665 177.118 177.584 0.332 0.000 1.297 266 A CA -0.452 51.715 52.037 0.216 0.000 0.865 266 A CB 0.902 20.048 19.000 0.244 0.000 1.165 266 A HN 0.429 nan 8.150 nan 0.000 0.513 267 V N 4.032 124.055 119.914 0.182 0.000 2.760 267 V HA 0.392 4.514 4.120 0.003 0.000 0.309 267 V C -2.635 173.400 176.094 -0.099 0.000 1.077 267 V CA -2.003 60.352 62.300 0.092 0.000 0.910 267 V CB 2.260 34.126 31.823 0.071 0.000 1.008 267 V HN 0.726 nan 8.190 nan 0.000 0.424 268 P HA 0.032 nan 4.420 nan 0.000 0.262 268 P C -0.597 176.629 177.300 -0.123 0.000 1.182 268 P CA 0.158 63.073 63.100 -0.308 0.000 0.761 268 P CB 0.129 31.579 31.700 -0.417 0.000 0.795 269 F N 7.348 127.189 119.950 -0.182 0.000 2.471 269 F HA 0.237 4.766 4.527 0.003 0.000 0.353 269 F C -1.332 174.389 175.800 -0.130 0.000 1.113 269 F CA -1.785 56.140 58.000 -0.125 0.000 1.262 269 F CB 0.563 39.502 39.000 -0.101 0.000 1.146 269 F HN 0.342 nan 8.300 nan 0.000 0.578 270 P HA 0.018 nan 4.420 nan 0.000 0.262 270 P C 0.384 177.408 177.300 -0.461 0.000 1.304 270 P CA 0.480 62.864 63.100 -1.193 0.000 0.859 270 P CB 0.360 31.324 31.700 -1.228 0.000 1.310 271 Q N 1.249 120.866 119.800 -0.306 0.000 2.291 271 Q HA -0.131 4.211 4.340 0.003 0.000 0.206 271 Q C 2.097 178.035 176.000 -0.102 0.000 0.976 271 Q CA 1.418 57.111 55.803 -0.183 0.000 0.875 271 Q CB -0.799 27.840 28.738 -0.165 0.000 0.927 271 Q HN 0.439 nan 8.270 nan 0.000 0.450 272 N N 0.228 118.887 118.700 -0.069 0.000 2.289 272 N HA -0.181 4.560 4.740 0.003 0.000 0.184 272 N C 1.348 176.862 175.510 0.007 0.000 1.016 272 N CA 1.070 54.123 53.050 0.005 0.000 0.872 272 N CB -0.343 38.181 38.487 0.062 0.000 0.973 272 N HN 0.340 nan 8.380 nan 0.000 0.433 273 L N 0.467 121.673 121.223 -0.029 0.000 2.291 273 L HA -0.003 4.339 4.340 0.003 0.000 0.214 273 L C 2.532 179.382 176.870 -0.033 0.000 1.120 273 L CA 0.206 55.034 54.840 -0.020 0.000 0.799 273 L CB -0.288 41.745 42.059 -0.044 0.000 0.925 273 L HN 0.008 nan 8.230 nan 0.000 0.446 274 I N 0.108 120.647 120.570 -0.051 0.000 2.264 274 I HA -0.271 3.901 4.170 0.003 0.000 0.248 274 I C 2.805 178.900 176.117 -0.036 0.000 1.111 274 I CA 1.273 62.541 61.300 -0.053 0.000 1.382 274 I CB -1.200 36.766 38.000 -0.058 0.000 1.060 274 I HN 0.463 nan 8.210 nan 0.000 0.418 275 A N 0.467 123.289 122.820 0.003 0.000 1.897 275 A HA -0.186 4.136 4.320 0.003 0.000 0.215 275 A C 2.460 180.079 177.584 0.059 0.000 1.181 275 A CA 2.033 54.099 52.037 0.050 0.000 0.620 275 A CB -1.075 17.975 19.000 0.083 0.000 0.821 275 A HN 0.617 nan 8.150 nan 0.000 0.443 276 T N -1.626 112.955 114.554 0.044 0.000 3.023 276 T HA -0.077 4.275 4.350 0.003 0.000 0.266 276 T C 1.971 176.675 174.700 0.007 0.000 1.093 276 T CA 1.470 63.600 62.100 0.049 0.000 1.129 276 T CB -0.572 68.325 68.868 0.049 0.000 0.899 276 T HN 0.611 nan 8.240 nan 0.000 0.491 277 S N 1.521 117.203 115.700 -0.030 0.000 2.402 277 S HA -0.059 4.413 4.470 0.003 0.000 0.229 277 S C 2.168 176.695 174.600 -0.122 0.000 1.021 277 S CA 0.776 58.940 58.200 -0.061 0.000 0.974 277 S CB -0.359 62.801 63.200 -0.067 0.000 0.800 277 S HN 0.438 nan 8.310 nan 0.000 0.484 278 R N 0.668 121.045 120.500 -0.205 0.000 2.075 278 R HA 0.336 4.677 4.340 0.003 0.000 0.220 278 R C -0.665 175.276 176.300 -0.598 0.000 1.118 278 R CA 0.784 56.595 56.100 -0.480 0.000 0.986 278 R CB -0.193 29.747 30.300 -0.600 0.000 0.884 278 R HN 0.434 nan 8.270 nan 0.000 0.439 279 F N 0.898 120.850 119.950 0.004 0.000 2.824 279 F HA 0.395 4.924 4.527 0.002 0.000 0.375 279 F C -1.855 173.950 175.800 0.008 0.000 1.190 279 F CA -2.806 55.198 58.000 0.006 0.000 1.180 279 F CB 2.204 41.208 39.000 0.006 0.000 1.477 279 F HN 0.015 nan 8.300 nan 0.000 0.542 280 P HA -0.084 nan 4.420 nan 0.000 0.230 280 P C 0.815 178.170 177.300 0.092 0.000 1.158 280 P CA 0.998 64.157 63.100 0.099 0.000 0.769 280 P CB 0.393 32.131 31.700 0.063 0.000 0.807 281 E N -0.162 120.101 120.200 0.105 0.000 2.204 281 E HA -0.067 4.285 4.350 0.003 0.000 0.195 281 E C 0.918 177.553 176.600 0.059 0.000 0.990 281 E CA 0.463 56.902 56.400 0.065 0.000 0.821 281 E CB -0.604 29.120 29.700 0.039 0.000 0.750 281 E HN 0.316 nan 8.360 nan 0.000 0.477 282 L N 0.936 122.210 121.223 0.086 0.000 2.452 282 L HA 0.187 4.529 4.340 0.003 0.000 0.267 282 L C 0.224 177.134 176.870 0.067 0.000 1.188 282 L CA -0.214 54.670 54.840 0.073 0.000 0.821 282 L CB 0.573 42.696 42.059 0.107 0.000 1.102 282 L HN 0.008 nan 8.230 nan 0.000 0.470 283 I N 1.478 122.082 120.570 0.058 0.000 2.321 283 I HA 0.157 4.328 4.170 0.003 0.000 0.291 283 I C 0.003 176.159 176.117 0.064 0.000 0.998 283 I CA 0.164 61.498 61.300 0.057 0.000 1.227 283 I CB 1.609 39.639 38.000 0.050 0.000 1.368 283 I HN 0.422 nan 8.210 nan 0.000 0.466 284 S N 6.149 121.888 115.700 0.067 0.000 2.718 284 S HA 0.448 4.919 4.470 0.003 0.000 0.294 284 S C -0.572 174.072 174.600 0.073 0.000 1.157 284 S CA -0.529 57.714 58.200 0.073 0.000 1.121 284 S CB 0.668 63.911 63.200 0.071 0.000 1.015 284 S HN 0.293 nan 8.310 nan 0.000 0.479 285 V N 8.076 128.036 119.914 0.077 0.000 2.461 285 V HA 0.402 4.523 4.120 0.003 0.000 0.275 285 V C -1.895 174.245 176.094 0.076 0.000 1.047 285 V CA -1.789 60.553 62.300 0.071 0.000 0.955 285 V CB 1.116 32.982 31.823 0.072 0.000 0.988 285 V HN 0.675 nan 8.190 nan 0.000 0.471 286 P HA 0.241 nan 4.420 nan 0.000 0.276 286 P C -0.948 176.366 177.300 0.023 0.000 1.243 286 P CA -0.122 63.034 63.100 0.094 0.000 0.768 286 P CB 0.897 32.648 31.700 0.084 0.000 0.856 287 I N 3.267 123.829 120.570 -0.014 0.000 2.339 287 I HA 0.188 4.359 4.170 0.003 0.000 0.290 287 I C 0.563 176.610 176.117 -0.116 0.000 0.994 287 I CA -0.738 60.503 61.300 -0.098 0.000 1.191 287 I CB 0.888 38.736 38.000 -0.253 0.000 1.343 287 I HN 0.298 nan 8.210 nan 0.000 0.458 288 D N 5.607 125.952 120.400 -0.092 0.000 2.358 288 D HA 0.217 4.859 4.640 0.003 0.000 0.258 288 D C 0.021 176.260 176.300 -0.101 0.000 1.223 288 D CA 0.265 54.219 54.000 -0.077 0.000 0.886 288 D CB 0.684 41.439 40.800 -0.075 0.000 1.120 288 D HN 0.660 nan 8.370 nan 0.000 0.482 289 T N -0.389 114.102 114.554 -0.104 0.000 2.924 289 T HA 0.622 4.973 4.350 0.003 0.000 0.291 289 T C 1.105 175.781 174.700 -0.040 0.000 1.045 289 T CA -0.174 61.861 62.100 -0.108 0.000 1.015 289 T CB 1.521 70.276 68.868 -0.189 0.000 1.103 289 T HN 0.232 nan 8.240 nan 0.000 0.496 290 E N 1.094 121.294 120.200 0.001 0.000 2.051 290 E HA -0.041 4.310 4.350 0.003 0.000 0.192 290 E C 1.466 178.084 176.600 0.031 0.000 0.991 290 E CA 1.236 57.654 56.400 0.029 0.000 0.799 290 E CB -0.521 nan 29.700 nan 0.000 0.748 290 E HN 0.788 nan 8.360 nan 0.000 0.449 291 K N -2.190 118.242 120.400 0.054 0.000 2.644 291 K HA 0.394 4.716 4.320 0.003 0.000 0.198 291 K C 0.693 177.311 176.600 0.030 0.000 1.113 291 K CA 0.230 56.562 56.287 0.076 0.000 1.073 291 K CB 1.332 33.919 32.500 0.145 0.000 0.811 291 K HN 0.490 nan 8.250 nan 0.000 0.508 292 G N 1.228 109.952 108.800 -0.127 0.000 2.159 292 G HA2 -0.241 3.720 3.960 0.003 0.000 0.227 292 G HA3 -0.241 3.720 3.960 0.003 0.000 0.227 292 G C -0.255 174.203 174.900 -0.736 0.000 0.986 292 G CA -0.268 44.573 45.100 -0.430 0.000 0.651 292 G HN 0.205 nan 8.290 nan 0.000 0.523 293 F N -0.695 119.188 119.950 -0.111 0.000 2.588 293 F HA 0.743 5.272 4.527 0.003 0.000 0.310 293 F C 0.451 176.167 175.800 -0.140 0.000 1.082 293 F CA -1.529 56.427 58.000 -0.073 0.000 0.929 293 F CB 1.034 40.049 39.000 0.024 0.000 1.254 293 F HN -0.047 nan 8.300 nan 0.000 0.455 294 F N 1.503 121.465 119.950 0.019 0.000 2.545 294 F HA 0.372 4.901 4.527 0.003 0.000 0.348 294 F C 0.896 176.569 175.800 -0.210 0.000 1.163 294 F CA 0.744 58.551 58.000 -0.322 0.000 1.331 294 F CB 0.627 39.185 39.000 -0.736 0.000 1.138 294 F HN 0.521 nan 8.300 nan 0.000 0.602 295 S N 1.417 117.050 115.700 -0.111 0.000 2.757 295 S HA 0.436 4.907 4.470 0.003 0.000 0.285 295 S C 0.120 174.784 174.600 0.105 0.000 1.196 295 S CA -0.973 57.269 58.200 0.070 0.000 0.856 295 S CB 0.727 63.987 63.200 0.100 0.000 1.212 295 S HN 0.496 nan 8.310 nan 0.000 0.516 296 L N 1.273 122.576 121.223 0.133 0.000 2.275 296 L HA -0.022 4.319 4.340 0.003 0.000 0.215 296 L C 2.914 179.866 176.870 0.135 0.000 1.119 296 L CA 1.399 56.353 54.840 0.189 0.000 0.790 296 L CB -0.482 41.634 42.059 0.094 0.000 0.919 296 L HN 0.845 nan 8.230 nan 0.000 0.443 297 Q N 1.137 120.975 119.800 0.063 0.000 2.308 297 Q HA -0.238 4.104 4.340 0.003 0.000 0.209 297 Q C 0.963 177.004 176.000 0.067 0.000 0.985 297 Q CA 1.915 57.746 55.803 0.048 0.000 0.881 297 Q CB -0.076 28.674 28.738 0.020 0.000 0.917 297 Q HN 0.639 nan 8.270 nan 0.000 0.443 298 N N -0.392 118.357 118.700 0.081 0.000 2.236 298 N HA 0.029 4.771 4.740 0.003 0.000 0.196 298 N C 1.159 176.842 175.510 0.290 0.000 1.114 298 N CA -0.211 52.907 53.050 0.113 0.000 0.859 298 N CB 0.335 38.838 38.487 0.027 0.000 0.982 298 N HN 0.073 nan 8.380 nan 0.000 0.493 299 L N 1.581 123.033 121.223 0.381 0.000 1.989 299 L HA -0.219 4.123 4.340 0.003 0.000 0.211 299 L C 2.330 179.393 176.870 0.321 0.000 1.071 299 L CA 1.924 57.040 54.840 0.461 0.000 0.749 299 L CB -0.619 41.636 42.059 0.325 0.000 0.890 299 L HN 0.237 nan 8.230 nan 0.000 0.431 300 Q N -0.814 119.113 119.800 0.212 0.000 2.050 300 Q HA -0.279 4.063 4.340 0.003 0.000 0.202 300 Q C 2.263 178.357 176.000 0.157 0.000 0.980 300 Q CA 2.029 57.926 55.803 0.156 0.000 0.840 300 Q CB -0.216 28.585 28.738 0.106 0.000 0.898 300 Q HN 0.710 nan 8.270 nan 0.000 0.424 301 E N -0.650 119.642 120.200 0.153 0.000 2.077 301 E HA -0.200 4.152 4.350 0.003 0.000 0.193 301 E C 1.920 178.622 176.600 0.171 0.000 0.989 301 E CA 1.457 57.938 56.400 0.136 0.000 0.800 301 E CB -0.023 29.744 29.700 0.112 0.000 0.746 301 E HN 0.484 nan 8.360 nan 0.000 0.452 302 C N 0.285 119.721 119.300 0.227 0.000 2.457 302 C HA -0.008 4.454 4.460 0.003 0.000 0.278 302 C C 2.571 177.775 174.990 0.356 0.000 1.309 302 C CA 0.163 59.312 59.018 0.219 0.000 1.735 302 C CB -0.864 26.925 27.740 0.082 0.000 1.992 302 C HN 0.469 nan 8.230 nan 0.000 0.493 303 L N 0.872 122.328 121.223 0.388 0.000 2.083 303 L HA -0.167 4.175 4.340 0.003 0.000 0.209 303 L C 2.760 179.731 176.870 0.167 0.000 1.083 303 L CA 1.596 56.605 54.840 0.282 0.000 0.752 303 L CB -0.708 41.454 42.059 0.172 0.000 0.899 303 L HN 0.343 nan 8.230 nan 0.000 0.433 304 E N 0.083 120.368 120.200 0.142 0.000 2.047 304 E HA -0.168 4.184 4.350 0.003 0.000 0.191 304 E C 2.175 178.832 176.600 0.096 0.000 0.987 304 E CA 1.045 57.503 56.400 0.097 0.000 0.799 304 E CB -0.574 29.174 29.700 0.082 0.000 0.752 304 E HN 0.488 nan 8.360 nan 0.000 0.449 305 L N 1.490 122.782 121.223 0.115 0.000 2.127 305 L HA -0.179 4.163 4.340 0.003 0.000 0.211 305 L C 2.761 179.700 176.870 0.114 0.000 1.089 305 L CA 1.661 56.565 54.840 0.107 0.000 0.757 305 L CB -0.662 41.465 42.059 0.114 0.000 0.899 305 L HN 0.371 nan 8.230 nan 0.000 0.434 306 S N -0.582 115.211 115.700 0.154 0.000 2.447 306 S HA -0.145 4.327 4.470 0.003 0.000 0.233 306 S C 1.857 176.504 174.600 0.079 0.000 1.006 306 S CA 0.555 58.841 58.200 0.144 0.000 0.957 306 S CB -0.205 63.113 63.200 0.197 0.000 0.773 306 S HN 0.378 nan 8.310 nan 0.000 0.507 307 K N 1.166 121.606 120.400 0.066 0.000 2.103 307 K HA -0.085 4.237 4.320 0.003 0.000 0.207 307 K C 1.490 178.110 176.600 0.033 0.000 1.048 307 K CA 1.595 57.905 56.287 0.039 0.000 0.930 307 K CB -0.623 31.898 32.500 0.035 0.000 0.716 307 K HN 0.768 nan 8.250 nan 0.000 0.444 308 D N 1.263 121.688 120.400 0.041 0.000 2.755 308 D HA 0.319 4.961 4.640 0.003 0.000 0.257 308 D C -0.026 176.296 176.300 0.037 0.000 1.291 308 D CA -0.076 53.944 54.000 0.033 0.000 0.836 308 D CB -0.015 40.805 40.800 0.032 0.000 1.059 308 D HN 0.068 nan 8.370 nan 0.000 0.486 309 V N -4.875 115.064 119.914 0.041 0.000 3.181 309 V HA 0.568 4.690 4.120 0.003 0.000 0.308 309 V C -0.329 175.787 176.094 0.036 0.000 1.214 309 V CA -0.772 61.553 62.300 0.043 0.000 1.053 309 V CB 2.182 34.039 31.823 0.056 0.000 1.069 309 V HN -0.034 nan 8.190 nan 0.000 0.441 310 D N 0.318 120.740 120.400 0.036 0.000 2.277 310 D HA 0.241 4.883 4.640 0.003 0.000 0.209 310 D C 0.306 176.626 176.300 0.034 0.000 0.970 310 D CA 1.272 55.290 54.000 0.031 0.000 0.874 310 D CB 1.286 42.106 40.800 0.033 0.000 0.982 310 D HN 0.449 nan 8.370 nan 0.000 0.504 311 V N 0.857 120.797 119.914 0.043 0.000 2.932 311 V HA 0.336 4.458 4.120 0.003 0.000 0.307 311 V C -0.469 175.663 176.094 0.063 0.000 1.147 311 V CA -0.937 61.392 62.300 0.048 0.000 0.951 311 V CB 3.021 34.872 31.823 0.047 0.000 1.031 311 V HN -0.291 nan 8.190 nan 0.000 0.426 312 V N 2.423 122.384 119.914 0.078 0.000 2.448 312 V HA 0.842 4.963 4.120 0.003 0.000 0.295 312 V C 0.282 176.430 176.094 0.089 0.000 1.025 312 V CA -0.460 61.906 62.300 0.110 0.000 0.859 312 V CB 1.731 33.681 31.823 0.211 0.000 0.988 312 V HN 1.085 nan 8.190 nan 0.000 0.431 313 A N 5.750 128.608 122.820 0.063 0.000 2.305 313 A HA 0.915 5.237 4.320 0.003 0.000 0.322 313 A C -0.774 176.825 177.584 0.025 0.000 1.187 313 A CA -0.467 51.597 52.037 0.045 0.000 0.825 313 A CB 0.878 19.898 19.000 0.034 0.000 1.164 313 A HN 0.919 nan 8.150 nan 0.000 0.498 314 I N 1.267 121.849 120.570 0.019 0.000 2.769 314 I HA 0.660 4.832 4.170 0.003 0.000 0.298 314 I C 0.655 176.772 176.117 -0.000 0.000 1.128 314 I CA 0.735 62.023 61.300 -0.020 0.000 1.031 314 I CB 2.154 40.130 38.000 -0.040 0.000 1.235 314 I HN 1.181 nan 8.210 nan 0.000 0.423 315 G N 5.524 114.327 108.800 0.005 0.000 2.796 315 G HA2 -0.118 3.844 3.960 0.003 0.000 0.198 315 G HA3 -0.118 3.844 3.960 0.003 0.000 0.198 315 G C -2.609 172.313 174.900 0.036 0.000 1.062 315 G CA -0.457 44.658 45.100 0.026 0.000 0.752 315 G HN 0.456 nan 8.290 nan 0.000 0.487 316 P HA 0.358 nan 4.420 nan 0.000 0.260 316 P C 0.997 178.337 177.300 0.067 0.000 1.185 316 P CA 2.001 65.120 63.100 0.032 0.000 0.763 316 P CB 0.319 32.043 31.700 0.041 0.000 0.776 317 G N 3.039 111.854 108.800 0.024 0.000 2.203 317 G HA2 -0.294 3.668 3.960 0.003 0.000 0.263 317 G HA3 -0.294 3.668 3.960 0.003 0.000 0.263 317 G C 0.731 175.805 174.900 0.289 0.000 1.012 317 G CA 0.121 45.289 45.100 0.113 0.000 0.749 317 G HN 0.509 nan 8.290 nan 0.000 0.512 318 L N -0.160 121.208 121.223 0.241 0.000 2.240 318 L HA 0.356 4.697 4.340 0.003 0.000 0.211 318 L C 1.835 179.007 176.870 0.504 0.000 1.106 318 L CA 0.958 56.013 54.840 0.358 0.000 0.793 318 L CB -0.525 41.702 42.059 0.280 0.000 0.927 318 L HN 1.188 nan 8.230 nan 0.000 0.446 319 G N 0.855 109.915 108.800 0.433 0.000 2.746 319 G HA2 -0.250 3.712 3.960 0.003 0.000 0.685 319 G HA3 -0.250 3.712 3.960 0.003 0.000 0.685 319 G C -0.693 174.317 174.900 0.184 0.000 1.350 319 G CA -0.396 44.966 45.100 0.437 0.000 0.837 319 G HN 0.232 nan 8.290 nan 0.000 0.564 320 N N 0.656 119.405 118.700 0.081 0.000 2.682 320 N HA 0.477 5.219 4.740 0.003 0.000 0.252 320 N C -0.125 175.346 175.510 -0.064 0.000 1.081 320 N CA -0.203 52.859 53.050 0.021 0.000 0.844 320 N CB 0.217 38.718 38.487 0.025 0.000 1.167 320 N HN 0.993 nan 8.380 nan 0.000 0.523 321 N N -0.408 118.230 118.700 -0.104 0.000 2.629 321 N HA 0.414 5.155 4.740 0.003 0.000 0.279 321 N C 0.839 176.336 175.510 -0.023 0.000 1.344 321 N CA -0.388 52.581 53.050 -0.135 0.000 0.789 321 N CB 0.180 38.475 38.487 -0.320 0.000 1.508 321 N HN 0.041 nan 8.380 nan 0.000 0.516 322 E N -0.710 119.489 120.200 -0.002 0.000 2.118 322 E HA -0.225 4.127 4.350 0.003 0.000 0.195 322 E C 1.267 178.013 176.600 0.244 0.000 0.992 322 E CA 1.856 58.321 56.400 0.107 0.000 0.804 322 E CB -1.305 28.466 29.700 0.118 0.000 0.741 322 E HN 0.672 nan 8.360 nan 0.000 0.458 323 H N -0.228 118.855 119.070 0.023 0.000 2.389 323 H HA 0.035 4.592 4.556 0.003 0.000 0.299 323 H C 2.356 177.773 175.328 0.148 0.000 1.081 323 H CA 1.235 57.328 56.048 0.074 0.000 1.345 323 H CB -0.508 29.285 29.762 0.052 0.000 1.393 323 H HN 0.300 nan 8.280 nan 0.000 0.520 324 V N 0.758 120.827 119.914 0.259 0.000 2.343 324 V HA -0.257 3.864 4.120 0.003 0.000 0.247 324 V C 2.623 178.876 176.094 0.266 0.000 1.051 324 V CA 2.011 64.486 62.300 0.292 0.000 1.036 324 V CB -0.465 31.493 31.823 0.224 0.000 0.654 324 V HN 0.315 nan 8.190 nan 0.000 0.451 325 R N 0.177 120.781 120.500 0.172 0.000 2.094 325 R HA -0.237 4.105 4.340 0.003 0.000 0.239 325 R C 2.329 178.704 176.300 0.126 0.000 1.137 325 R CA 2.297 58.471 56.100 0.123 0.000 0.943 325 R CB -0.284 30.068 30.300 0.088 0.000 0.850 325 R HN 0.634 nan 8.270 nan 0.000 0.433 326 E N -0.466 119.822 120.200 0.147 0.000 2.058 326 E HA -0.238 4.114 4.350 0.003 0.000 0.194 326 E C 1.782 178.473 176.600 0.152 0.000 0.997 326 E CA 1.602 58.075 56.400 0.122 0.000 0.801 326 E CB -0.308 29.453 29.700 0.101 0.000 0.746 326 E HN 0.330 nan 8.360 nan 0.000 0.450 327 F N 1.284 121.280 119.950 0.077 0.000 2.075 327 F HA -0.217 4.312 4.527 0.003 0.000 0.297 327 F C 2.116 177.973 175.800 0.096 0.000 1.113 327 F CA 1.123 59.176 58.000 0.089 0.000 1.218 327 F CB -0.474 38.588 39.000 0.104 0.000 0.984 327 F HN -0.206 nan 8.300 nan 0.000 0.472 328 V N 1.222 121.059 119.914 -0.128 0.000 2.343 328 V HA -0.328 3.794 4.120 0.003 0.000 0.247 328 V C 2.285 178.308 176.094 -0.119 0.000 1.051 328 V CA 2.285 64.456 62.300 -0.214 0.000 1.036 328 V CB -0.796 31.024 31.823 -0.006 0.000 0.654 328 V HN 0.419 nan 8.190 nan 0.000 0.451 329 N N -0.474 118.199 118.700 -0.046 0.000 2.207 329 N HA -0.111 4.631 4.740 0.003 0.000 0.182 329 N C 1.877 177.359 175.510 -0.046 0.000 1.020 329 N CA 0.936 53.969 53.050 -0.029 0.000 0.858 329 N CB -0.177 38.310 38.487 0.000 0.000 0.991 329 N HN 0.420 nan 8.380 nan 0.000 0.427 330 E N 0.834 121.012 120.200 -0.037 0.000 2.077 330 E HA -0.118 4.234 4.350 0.003 0.000 0.193 330 E C 1.748 178.308 176.600 -0.068 0.000 0.989 330 E CA 0.401 56.782 56.400 -0.032 0.000 0.800 330 E CB -0.507 29.204 29.700 0.017 0.000 0.746 330 E HN 0.290 nan 8.360 nan 0.000 0.452 331 F N 1.319 121.095 119.950 -0.290 0.000 2.069 331 F HA -0.199 4.330 4.527 0.003 0.000 0.298 331 F C 2.198 177.871 175.800 -0.211 0.000 1.113 331 F CA 1.429 59.231 58.000 -0.330 0.000 1.214 331 F CB -0.387 38.205 39.000 -0.680 0.000 0.978 331 F HN -0.058 nan 8.300 nan 0.000 0.474 332 L N 0.130 121.232 121.223 -0.201 0.000 2.093 332 L HA -0.200 4.142 4.340 0.003 0.000 0.208 332 L C 2.528 179.273 176.870 -0.208 0.000 1.085 332 L CA 1.505 56.210 54.840 -0.225 0.000 0.755 332 L CB -0.748 41.269 42.059 -0.071 0.000 0.904 332 L HN 0.140 nan 8.230 nan 0.000 0.435 333 K N -0.295 120.014 120.400 -0.151 0.000 2.103 333 K HA -0.175 4.147 4.320 0.003 0.000 0.207 333 K C 1.680 178.191 176.600 -0.148 0.000 1.048 333 K CA 1.825 58.040 56.287 -0.119 0.000 0.930 333 K CB 0.060 32.513 32.500 -0.079 0.000 0.716 333 K HN 0.224 nan 8.250 nan 0.000 0.444 334 T N 0.437 114.866 114.554 -0.208 0.000 3.015 334 T HA 0.075 4.427 4.350 0.003 0.000 0.250 334 T C -0.007 174.528 174.700 -0.274 0.000 1.057 334 T CA -0.312 61.669 62.100 -0.199 0.000 1.066 334 T CB 0.184 68.956 68.868 -0.160 0.000 0.959 334 T HN 0.084 nan 8.240 nan 0.000 0.488 335 L N 3.355 124.309 121.223 -0.447 0.000 2.433 335 L HA 0.179 4.521 4.340 0.003 0.000 0.275 335 L C 0.163 176.878 176.870 -0.258 0.000 1.128 335 L CA 0.346 54.894 54.840 -0.488 0.000 0.875 335 L CB 0.101 41.653 42.059 -0.846 0.000 1.171 335 L HN 0.055 nan 8.230 nan 0.000 0.463 336 E N 5.685 125.780 120.200 -0.176 0.000 2.464 336 E HA 0.231 4.582 4.350 0.003 0.000 0.260 336 E C -0.750 175.803 176.600 -0.078 0.000 1.318 336 E CA -0.284 56.052 56.400 -0.108 0.000 1.571 336 E CB 0.245 29.897 29.700 -0.080 0.000 1.525 336 E HN 0.393 nan 8.360 nan 0.000 0.449 337 K N 0.902 121.252 120.400 -0.084 0.000 2.532 337 K HA 0.408 4.730 4.320 0.003 0.000 0.265 337 K C -2.868 173.711 176.600 -0.035 0.000 0.948 337 K CA -2.518 53.743 56.287 -0.044 0.000 0.842 337 K CB 1.732 34.217 32.500 -0.025 0.000 1.392 337 K HN -0.068 nan 8.250 nan 0.000 0.436 338 P HA 0.084 nan 4.420 nan 0.000 0.266 338 P C -1.188 176.120 177.300 0.014 0.000 1.195 338 P CA -0.015 63.086 63.100 0.001 0.000 0.768 338 P CB 0.500 32.209 31.700 0.016 0.000 0.838 339 A N 2.890 125.719 122.820 0.016 0.000 2.355 339 A HA 0.581 4.903 4.320 0.003 0.000 0.317 339 A C -0.960 176.647 177.584 0.038 0.000 1.094 339 A CA -0.624 51.434 52.037 0.035 0.000 0.764 339 A CB 1.186 20.202 19.000 0.026 0.000 1.230 339 A HN 0.304 nan 8.150 nan 0.000 0.448 340 V N 3.649 123.590 119.914 0.046 0.000 2.357 340 V HA 0.375 4.497 4.120 0.003 0.000 0.284 340 V C -0.473 175.642 176.094 0.036 0.000 1.018 340 V CA -0.040 62.284 62.300 0.039 0.000 0.841 340 V CB 0.870 32.716 31.823 0.039 0.000 0.991 340 V HN 0.698 nan 8.190 nan 0.000 0.437 341 I N 4.493 125.081 120.570 0.030 0.000 2.355 341 I HA 0.508 4.679 4.170 0.003 0.000 0.288 341 I C -0.549 175.573 176.117 0.008 0.000 0.999 341 I CA -0.085 61.230 61.300 0.024 0.000 1.163 341 I CB 1.614 39.632 38.000 0.031 0.000 1.316 341 I HN 0.537 nan 8.210 nan 0.000 0.454 342 D N 4.385 124.787 120.400 0.002 0.000 2.490 342 D HA 0.787 5.429 4.640 0.003 0.000 0.232 342 D C 0.386 176.673 176.300 -0.021 0.000 1.053 342 D CA 0.575 54.568 54.000 -0.011 0.000 0.914 342 D CB 2.025 42.824 40.800 -0.002 0.000 1.431 342 D HN 0.683 nan 8.370 nan 0.000 0.483 343 A N 2.203 124.998 122.820 -0.041 0.000 5.318 343 A HA -0.342 3.980 4.320 0.003 0.000 0.329 343 A C 1.434 178.990 177.584 -0.047 0.000 1.789 343 A CA 1.847 53.855 52.037 -0.048 0.000 0.711 343 A CB -1.825 17.157 19.000 -0.031 0.000 1.398 343 A HN 0.722 nan 8.150 nan 0.000 0.392 344 D N -0.046 120.337 120.400 -0.028 0.000 2.218 344 D HA 0.116 4.758 4.640 0.003 0.000 0.204 344 D C 2.170 178.482 176.300 0.020 0.000 0.976 344 D CA 1.750 55.749 54.000 -0.002 0.000 0.853 344 D CB -0.624 40.192 40.800 0.027 0.000 0.939 344 D HN 0.831 nan 8.370 nan 0.000 0.481 345 A N 0.746 123.578 122.820 0.020 0.000 1.930 345 A HA -0.123 4.199 4.320 0.003 0.000 0.217 345 A C 2.339 179.928 177.584 0.008 0.000 1.175 345 A CA 0.711 52.762 52.037 0.023 0.000 0.627 345 A CB -0.567 18.443 19.000 0.018 0.000 0.815 345 A HN 0.178 nan 8.150 nan 0.000 0.443 346 I N 0.104 120.666 120.570 -0.014 0.000 2.226 346 I HA -0.250 3.922 4.170 0.003 0.000 0.245 346 I C 1.879 177.975 176.117 -0.035 0.000 1.100 346 I CA 1.100 62.381 61.300 -0.031 0.000 1.374 346 I CB -0.470 37.485 38.000 -0.075 0.000 1.057 346 I HN 0.274 nan 8.210 nan 0.000 0.413 347 N N 0.609 119.284 118.700 -0.041 0.000 2.348 347 N HA -0.128 4.614 4.740 0.003 0.000 0.185 347 N C 1.524 177.030 175.510 -0.007 0.000 1.019 347 N CA 1.630 54.659 53.050 -0.034 0.000 0.880 347 N CB -0.139 38.330 38.487 -0.030 0.000 0.965 347 N HN 0.432 nan 8.380 nan 0.000 0.437 348 V N -2.342 117.579 119.914 0.011 0.000 3.528 348 V HA 0.309 4.431 4.120 0.003 0.000 0.294 348 V C 0.538 176.648 176.094 0.027 0.000 1.404 348 V CA -0.524 61.792 62.300 0.026 0.000 1.065 348 V CB -0.391 31.461 31.823 0.049 0.000 0.904 348 V HN -0.064 nan 8.190 nan 0.000 0.435 349 L N 2.514 123.750 121.223 0.021 0.000 2.453 349 L HA 0.474 4.816 4.340 0.003 0.000 0.272 349 L C -0.145 176.745 176.870 0.034 0.000 1.182 349 L CA 0.643 55.500 54.840 0.028 0.000 0.858 349 L CB 0.595 42.675 42.059 0.035 0.000 1.120 349 L HN 0.368 nan 8.230 nan 0.000 0.474 350 D N 2.084 122.502 120.400 0.030 0.000 2.317 350 D HA 0.155 4.797 4.640 0.003 0.000 0.234 350 D C 1.027 177.346 176.300 0.033 0.000 1.112 350 D CA 0.224 54.241 54.000 0.028 0.000 0.840 350 D CB 1.441 42.251 40.800 0.016 0.000 1.078 350 D HN 0.738 nan 8.370 nan 0.000 0.486 351 T N 0.201 114.786 114.554 0.051 0.000 3.035 351 T HA -0.092 4.259 4.350 0.003 0.000 0.268 351 T C 1.746 176.441 174.700 -0.009 0.000 1.109 351 T CA 0.737 62.869 62.100 0.052 0.000 1.119 351 T CB -0.056 68.871 68.868 0.099 0.000 0.900 351 T HN 0.203 nan 8.240 nan 0.000 0.503 352 S N 1.444 117.139 115.700 -0.009 0.000 2.370 352 S HA -0.083 4.389 4.470 0.003 0.000 0.226 352 S C 2.189 176.769 174.600 -0.032 0.000 1.033 352 S CA 1.158 59.343 58.200 -0.025 0.000 1.011 352 S CB -0.698 62.492 63.200 -0.016 0.000 0.852 352 S HN 0.422 nan 8.310 nan 0.000 0.457 353 V N 1.714 121.614 119.914 -0.023 0.000 2.392 353 V HA -0.157 3.965 4.120 0.003 0.000 0.249 353 V C 2.236 178.306 176.094 -0.040 0.000 1.059 353 V CA 1.537 63.818 62.300 -0.031 0.000 1.051 353 V CB -0.639 31.169 31.823 -0.024 0.000 0.658 353 V HN 0.342 nan 8.190 nan 0.000 0.455 354 L N -0.086 121.118 121.223 -0.033 0.000 2.056 354 L HA -0.107 4.235 4.340 0.003 0.000 0.207 354 L C 2.377 179.207 176.870 -0.067 0.000 1.078 354 L CA 1.893 56.709 54.840 -0.040 0.000 0.749 354 L CB -0.677 41.370 42.059 -0.021 0.000 0.901 354 L HN 0.217 nan 8.230 nan 0.000 0.433 355 K N -0.585 119.766 120.400 -0.082 0.000 2.057 355 K HA -0.178 4.144 4.320 0.003 0.000 0.207 355 K C 1.817 178.377 176.600 -0.066 0.000 1.049 355 K CA 1.588 57.822 56.287 -0.088 0.000 0.931 355 K CB -0.105 32.341 32.500 -0.091 0.000 0.714 355 K HN 0.212 nan 8.250 nan 0.000 0.440 356 E N 0.567 120.733 120.200 -0.057 0.000 2.516 356 E HA -0.006 4.346 4.350 0.003 0.000 0.199 356 E C -0.213 176.355 176.600 -0.054 0.000 1.069 356 E CA 0.323 56.692 56.400 -0.051 0.000 0.876 356 E CB 0.135 29.808 29.700 -0.045 0.000 0.843 356 E HN 0.098 nan 8.360 nan 0.000 0.530 357 R N -0.129 120.336 120.500 -0.058 0.000 2.340 357 R HA 0.261 4.603 4.340 0.003 0.000 0.300 357 R C 1.474 177.741 176.300 -0.054 0.000 1.069 357 R CA 0.420 56.483 56.100 -0.062 0.000 0.984 357 R CB 0.838 31.099 30.300 -0.064 0.000 1.003 357 R HN 0.002 nan 8.270 nan 0.000 0.459 358 K N 1.662 122.030 120.400 -0.054 0.000 2.103 358 K HA 0.012 4.334 4.320 0.003 0.000 0.204 358 K C 0.987 177.561 176.600 -0.042 0.000 1.052 358 K CA 1.127 57.387 56.287 -0.045 0.000 0.945 358 K CB 0.081 32.556 32.500 -0.043 0.000 0.722 358 K HN 0.527 nan 8.250 nan 0.000 0.443 359 S N 1.231 116.902 115.700 -0.049 0.000 2.601 359 S HA 0.404 4.876 4.470 0.003 0.000 0.271 359 S C -2.347 172.233 174.600 -0.034 0.000 1.305 359 S CA -1.381 56.794 58.200 -0.042 0.000 1.022 359 S CB 1.447 64.615 63.200 -0.054 0.000 0.940 359 S HN 0.415 nan 8.310 nan 0.000 0.525 360 P HA 0.394 nan 4.420 nan 0.000 0.272 360 P C -1.378 175.917 177.300 -0.007 0.000 1.240 360 P CA -0.361 62.732 63.100 -0.012 0.000 0.791 360 P CB 0.468 32.166 31.700 -0.002 0.000 0.978 361 A N 0.860 123.682 122.820 0.003 0.000 2.539 361 A HA 0.626 4.948 4.320 0.003 0.000 0.296 361 A C -1.346 176.256 177.584 0.030 0.000 1.073 361 A CA -0.586 51.461 52.037 0.016 0.000 0.700 361 A CB 1.463 20.472 19.000 0.016 0.000 1.296 361 A HN 0.253 nan 8.150 nan 0.000 0.405 362 V N 1.761 121.697 119.914 0.037 0.000 2.487 362 V HA 0.534 4.656 4.120 0.003 0.000 0.298 362 V C -0.965 175.155 176.094 0.044 0.000 1.028 362 V CA -0.397 61.928 62.300 0.042 0.000 0.860 362 V CB 1.285 33.130 31.823 0.038 0.000 0.991 362 V HN 0.719 nan 8.190 nan 0.000 0.427 363 L N 4.058 125.313 121.223 0.053 0.000 2.322 363 L HA 0.634 4.976 4.340 0.003 0.000 0.281 363 L C 0.655 177.530 176.870 0.007 0.000 1.014 363 L CA 0.091 54.952 54.840 0.035 0.000 0.815 363 L CB 2.185 44.282 42.059 0.063 0.000 1.247 363 L HN 0.827 nan 8.230 nan 0.000 0.421 364 T N -0.232 114.314 114.554 -0.013 0.000 3.377 364 T HA 0.442 4.794 4.350 0.003 0.000 0.270 364 T C -2.591 172.080 174.700 -0.048 0.000 1.586 364 T CA -1.695 60.391 62.100 -0.023 0.000 1.487 364 T CB 0.003 68.860 68.868 -0.018 0.000 0.994 364 T HN 0.186 nan 8.240 nan 0.000 0.689 365 P HA 0.217 nan 4.420 nan 0.000 0.279 365 P C -0.070 177.178 177.300 -0.088 0.000 1.239 365 P CA -0.187 62.824 63.100 -0.148 0.000 0.789 365 P CB 0.495 32.074 31.700 -0.201 0.000 0.933 366 H N 2.403 121.436 119.070 -0.062 0.000 2.546 366 H HA 0.303 4.860 4.556 0.003 0.000 0.365 366 H C -1.942 173.335 175.328 -0.086 0.000 1.220 366 H CA -1.899 54.111 56.048 -0.065 0.000 1.386 366 H CB -0.941 28.790 29.762 -0.052 0.000 1.510 366 H HN 0.155 nan 8.280 nan 0.000 0.591 367 P HA -0.075 nan 4.420 nan 0.000 0.218 367 P C 1.617 178.931 177.300 0.025 0.000 1.148 367 P CA 2.220 65.330 63.100 0.017 0.000 0.822 367 P CB -0.122 31.558 31.700 -0.033 0.000 0.784 368 G N -0.477 108.446 108.800 0.204 0.000 2.422 368 G HA2 -0.161 3.801 3.960 0.003 0.000 0.218 368 G HA3 -0.161 3.801 3.960 0.003 0.000 0.218 368 G C 0.700 175.521 174.900 -0.131 0.000 1.146 368 G CA 0.390 45.545 45.100 0.091 0.000 0.769 368 G HN 0.293 nan 8.290 nan 0.000 0.547 372 R N -0.181 120.270 120.500 -0.082 0.000 2.096 372 R HA -0.034 4.307 4.340 0.003 0.000 0.235 372 R C 2.004 178.264 176.300 -0.066 0.000 1.127 372 R CA 1.613 57.675 56.100 -0.063 0.000 0.968 372 R CB -0.317 29.947 30.300 -0.059 0.000 0.861 372 R HN 0.476 nan 8.270 nan 0.000 0.440 373 L N 0.845 122.004 121.223 -0.106 0.000 2.056 373 L HA -0.110 4.231 4.340 0.003 0.000 0.207 373 L C 1.896 178.731 176.870 -0.058 0.000 1.078 373 L CA 1.558 56.338 54.840 -0.101 0.000 0.749 373 L CB -0.012 41.927 42.059 -0.200 0.000 0.901 373 L HN 0.075 nan 8.230 nan 0.000 0.433 374 V N -4.453 115.408 119.914 -0.089 0.000 3.621 374 V HA 0.241 4.362 4.120 0.003 0.000 0.285 374 V C 0.817 176.907 176.094 -0.007 0.000 1.346 374 V CA -0.187 62.102 62.300 -0.019 0.000 1.104 374 V CB -0.997 30.801 31.823 -0.042 0.000 0.913 374 V HN 0.497 nan 8.190 nan 0.000 0.432 375 K N 0.336 120.723 120.400 -0.021 0.000 3.150 375 K HA -0.203 4.119 4.320 0.003 0.000 0.267 375 K C -0.033 176.558 176.600 -0.014 0.000 1.028 375 K CA 0.883 57.162 56.287 -0.014 0.000 0.753 375 K CB -1.373 31.127 32.500 -0.001 0.000 1.288 375 K HN 0.716 nan 8.250 nan 0.000 0.473 376 K N -0.105 120.280 120.400 -0.025 0.000 2.346 376 K HA 0.372 4.693 4.320 0.003 0.000 0.238 376 K C 0.321 176.907 176.600 -0.025 0.000 1.039 376 K CA -0.615 55.658 56.287 -0.023 0.000 0.861 376 K CB 1.364 33.848 32.500 -0.027 0.000 1.278 376 K HN 0.219 nan 8.250 nan 0.000 0.460 377 T N -2.161 112.381 114.554 -0.020 0.000 2.882 377 T HA 0.099 4.451 4.350 0.003 0.000 0.287 377 T C 1.358 176.045 174.700 -0.022 0.000 1.014 377 T CA -0.768 61.322 62.100 -0.017 0.000 1.049 377 T CB 0.948 69.809 68.868 -0.011 0.000 1.001 377 T HN 0.175 nan 8.240 nan 0.000 0.525 378 V N 2.905 122.808 119.914 -0.018 0.000 2.392 378 V HA -0.077 4.045 4.120 0.003 0.000 0.249 378 V C 2.872 178.953 176.094 -0.022 0.000 1.059 378 V CA 2.447 64.734 62.300 -0.022 0.000 1.051 378 V CB -1.490 30.325 31.823 -0.013 0.000 0.658 378 V HN 1.125 nan 8.190 nan 0.000 0.455 379 G N -0.610 108.184 108.800 -0.010 0.000 2.432 379 G HA2 -0.228 3.734 3.960 0.003 0.000 0.219 379 G HA3 -0.228 3.734 3.960 0.003 0.000 0.219 379 G C 1.220 176.121 174.900 0.002 0.000 1.135 379 G CA 0.907 46.008 45.100 0.001 0.000 0.767 379 G HN 0.505 nan 8.290 nan 0.000 0.550 380 D N 0.156 120.551 120.400 -0.008 0.000 2.117 380 D HA -0.116 4.526 4.640 0.003 0.000 0.197 380 D C 2.898 179.188 176.300 -0.016 0.000 0.987 380 D CA 1.691 55.684 54.000 -0.012 0.000 0.829 380 D CB -0.355 40.435 40.800 -0.018 0.000 0.961 380 D HN 0.378 nan 8.370 nan 0.000 0.460 381 V N -1.176 118.721 119.914 -0.028 0.000 2.825 381 V HA 0.097 4.219 4.120 0.003 0.000 0.246 381 V C 0.979 177.051 176.094 -0.036 0.000 1.068 381 V CA 0.122 62.398 62.300 -0.040 0.000 1.088 381 V CB -0.489 31.293 31.823 -0.069 0.000 0.733 381 V HN -0.129 nan 8.190 nan 0.000 0.468 382 K N 0.179 120.549 120.400 -0.051 0.000 2.472 382 K HA -0.021 4.301 4.320 0.003 0.000 0.280 382 K C -0.013 176.580 176.600 -0.011 0.000 1.028 382 K CA 0.283 56.492 56.287 -0.129 0.000 1.045 382 K CB -0.322 32.089 32.500 -0.149 0.000 0.902 382 K HN 0.479 nan 8.250 nan 0.000 0.478 383 Y N -0.031 120.333 120.300 0.107 0.000 4.538 383 Y HA -0.320 4.232 4.550 0.003 0.000 0.225 383 Y C 0.223 176.224 175.900 0.168 0.000 1.074 383 Y CA 0.747 58.945 58.100 0.163 0.000 1.942 383 Y CB -2.040 36.514 38.460 0.156 0.000 1.618 383 Y HN 0.645 nan 8.280 nan 0.000 0.642 384 N N 1.239 120.044 118.700 0.176 0.000 2.807 384 N HA 0.059 4.800 4.740 0.003 0.000 0.259 384 N C 0.971 176.501 175.510 0.034 0.000 1.149 384 N CA 0.170 53.246 53.050 0.043 0.000 1.042 384 N CB -0.323 38.156 38.487 -0.013 0.000 1.367 384 N HN 0.507 nan 8.380 nan 0.000 0.516 385 Y N 0.930 121.328 120.300 0.164 0.000 2.274 385 Y HA 0.027 4.579 4.550 0.003 0.000 0.290 385 Y C 1.585 177.542 175.900 0.096 0.000 1.145 385 Y CA 0.928 59.125 58.100 0.161 0.000 1.203 385 Y CB -0.322 38.303 38.460 0.274 0.000 0.984 385 Y HN 0.314 nan 8.280 nan 0.000 0.533 386 E N 0.434 120.367 120.200 -0.444 0.000 2.106 386 E HA -0.149 4.203 4.350 0.003 0.000 0.192 386 E C 2.005 178.565 176.600 -0.066 0.000 0.984 386 E CA 1.185 57.461 56.400 -0.208 0.000 0.806 386 E CB -0.224 29.298 29.700 -0.297 0.000 0.750 386 E HN 0.476 nan 8.360 nan 0.000 0.458 387 L N 0.710 121.894 121.223 -0.065 0.000 2.056 387 L HA -0.085 4.257 4.340 0.003 0.000 0.207 387 L C 2.174 179.086 176.870 0.071 0.000 1.078 387 L CA 1.888 56.730 54.840 0.004 0.000 0.749 387 L CB -0.461 41.590 42.059 -0.013 0.000 0.901 387 L HN 0.020 nan 8.230 nan 0.000 0.433 388 A N -0.706 122.155 122.820 0.069 0.000 1.902 388 A HA -0.226 4.096 4.320 0.003 0.000 0.217 388 A C 2.130 179.800 177.584 0.142 0.000 1.181 388 A CA 1.772 53.874 52.037 0.107 0.000 0.623 388 A CB -0.655 18.399 19.000 0.090 0.000 0.818 388 A HN 0.600 nan 8.150 nan 0.000 0.443 389 E N -0.441 119.824 120.200 0.108 0.000 2.058 389 E HA -0.262 4.090 4.350 0.003 0.000 0.194 389 E C 2.104 178.749 176.600 0.075 0.000 0.997 389 E CA 1.553 58.005 56.400 0.087 0.000 0.801 389 E CB -0.203 29.545 29.700 0.081 0.000 0.746 389 E HN 0.893 nan 8.360 nan 0.000 0.450 390 E N 0.411 120.654 120.200 0.072 0.000 2.106 390 E HA -0.218 4.134 4.350 0.003 0.000 0.192 390 E C 1.964 178.600 176.600 0.061 0.000 0.984 390 E CA 0.769 57.198 56.400 0.048 0.000 0.806 390 E CB -0.253 29.469 29.700 0.037 0.000 0.750 390 E HN 0.257 nan 8.360 nan 0.000 0.458 391 F N 1.527 121.471 119.950 -0.010 0.000 2.102 391 F HA -0.099 4.430 4.527 0.003 0.000 0.298 391 F C 2.279 178.073 175.800 -0.009 0.000 1.105 391 F CA 1.813 59.806 58.000 -0.011 0.000 1.239 391 F CB -0.447 38.546 39.000 -0.012 0.000 0.991 391 F HN 0.152 nan 8.300 nan 0.000 0.474 392 A N -0.181 122.721 122.820 0.136 0.000 1.902 392 A HA -0.191 4.131 4.320 0.003 0.000 0.217 392 A C 2.218 179.769 177.584 -0.055 0.000 1.181 392 A CA 1.969 54.035 52.037 0.049 0.000 0.623 392 A CB -1.033 18.022 19.000 0.092 0.000 0.818 392 A HN 0.300 nan 8.150 nan 0.000 0.443 393 K N -0.470 119.907 120.400 -0.039 0.000 2.026 393 K HA -0.136 4.186 4.320 0.003 0.000 0.208 393 K C 2.028 178.569 176.600 -0.098 0.000 1.048 393 K CA 1.897 58.154 56.287 -0.050 0.000 0.929 393 K CB -0.578 31.908 32.500 -0.023 0.000 0.713 393 K HN 0.575 nan 8.250 nan 0.000 0.439 394 E N 0.877 120.990 120.200 -0.145 0.000 2.085 394 E HA -0.030 4.321 4.350 0.003 0.000 0.194 394 E C 1.641 178.097 176.600 -0.240 0.000 0.994 394 E CA 1.603 57.891 56.400 -0.187 0.000 0.801 394 E CB -0.128 29.441 29.700 -0.219 0.000 0.743 394 E HN 0.467 nan 8.360 nan 0.000 0.453 395 N N 0.758 119.250 118.700 -0.348 0.000 2.230 395 N HA -0.024 4.718 4.740 0.003 0.000 0.202 395 N C -0.785 174.617 175.510 -0.180 0.000 1.119 395 N CA 0.291 53.141 53.050 -0.333 0.000 0.851 395 N CB 0.549 38.675 38.487 -0.603 0.000 0.990 395 N HN 0.094 nan 8.380 nan 0.000 0.497 396 D N 1.016 121.337 120.400 -0.130 0.000 2.686 396 D HA -0.161 4.481 4.640 0.003 0.000 0.235 396 D C 0.402 176.674 176.300 -0.047 0.000 1.160 396 D CA 0.692 54.648 54.000 -0.073 0.000 0.645 396 D CB -1.735 39.028 40.800 -0.062 0.000 1.039 396 D HN 0.452 nan 8.370 nan 0.000 0.423 397 C N -3.176 116.103 119.300 -0.034 0.000 3.028 397 C HA 0.820 5.282 4.460 0.003 0.000 0.338 397 C C 0.230 175.242 174.990 0.036 0.000 1.366 397 C CA -0.838 58.186 59.018 0.010 0.000 1.610 397 C CB 1.957 29.722 27.740 0.041 0.000 2.063 397 C HN 0.054 nan 8.230 nan 0.000 0.463 398 V N 1.668 121.611 119.914 0.048 0.000 2.435 398 V HA 0.550 4.672 4.120 0.003 0.000 0.290 398 V C -0.404 175.735 176.094 0.075 0.000 1.030 398 V CA -0.162 62.169 62.300 0.050 0.000 0.881 398 V CB 1.211 33.054 31.823 0.033 0.000 0.983 398 V HN 0.780 nan 8.190 nan 0.000 0.445 399 L N 6.399 127.672 121.223 0.084 0.000 2.305 399 L HA 0.610 4.952 4.340 0.003 0.000 0.284 399 L C -0.427 176.470 176.870 0.045 0.000 1.013 399 L CA 0.071 54.962 54.840 0.084 0.000 0.819 399 L CB 1.750 43.888 42.059 0.132 0.000 1.227 399 L HN 0.440 nan 8.230 nan 0.000 0.417 400 V N 6.589 126.519 119.914 0.028 0.000 2.275 400 V HA 0.298 4.420 4.120 0.003 0.000 0.272 400 V C -0.333 175.770 176.094 0.015 0.000 1.028 400 V CA -0.527 61.788 62.300 0.025 0.000 0.810 400 V CB 1.145 32.978 31.823 0.018 0.000 1.043 400 V HN 0.577 nan 8.190 nan 0.000 0.453 401 L N 6.706 127.946 121.223 0.029 0.000 2.268 401 L HA 0.454 4.796 4.340 0.003 0.000 0.289 401 L C 0.334 177.230 176.870 0.043 0.000 1.064 401 L CA 0.112 54.960 54.840 0.014 0.000 0.824 401 L CB 0.390 42.459 42.059 0.016 0.000 1.202 401 L HN 0.466 nan 8.230 nan 0.000 0.433 402 K N 3.686 124.107 120.400 0.035 0.000 2.270 402 K HA 0.633 4.955 4.320 0.003 0.000 0.276 402 K C -0.293 176.332 176.600 0.041 0.000 1.023 402 K CA -0.342 55.983 56.287 0.062 0.000 0.955 402 K CB 0.916 33.458 32.500 0.069 0.000 0.975 402 K HN 0.725 nan 8.250 nan 0.000 0.471 403 S N -0.421 115.327 115.700 0.080 0.000 2.671 403 S HA 0.236 4.708 4.470 0.003 0.000 0.270 403 S C 0.407 175.110 174.600 0.173 0.000 1.166 403 S CA -0.224 58.008 58.200 0.053 0.000 0.868 403 S CB 0.609 63.733 63.200 -0.128 0.000 1.190 403 S HN 0.646 nan 8.310 nan 0.000 0.494 404 A N 0.641 123.580 122.820 0.198 0.000 1.940 404 A HA 0.112 4.434 4.320 0.003 0.000 0.219 404 A C 0.870 178.685 177.584 0.385 0.000 1.176 404 A CA 1.699 53.857 52.037 0.202 0.000 0.631 404 A CB -0.679 18.291 19.000 -0.051 0.000 0.814 404 A HN 0.601 nan 8.150 nan 0.000 0.446 405 T N 1.060 115.952 114.554 0.563 0.000 2.749 405 T HA 0.461 4.813 4.350 0.003 0.000 0.287 405 T C -0.404 174.569 174.700 0.455 0.000 0.970 405 T CA -0.159 62.217 62.100 0.460 0.000 0.980 405 T CB 1.294 70.370 68.868 0.348 0.000 0.924 405 T HN 0.159 nan 8.240 nan 0.000 0.456 406 T N 4.045 118.795 114.554 0.327 0.000 2.837 406 T HA 0.512 4.864 4.350 0.003 0.000 0.285 406 T C 0.254 175.114 174.700 0.266 0.000 0.984 406 T CA -0.427 61.826 62.100 0.255 0.000 1.049 406 T CB 0.430 69.405 68.868 0.179 0.000 0.947 406 T HN 0.410 nan 8.240 nan 0.000 0.472 407 I N 3.371 124.074 120.570 0.222 0.000 2.321 407 I HA 0.376 4.548 4.170 0.003 0.000 0.291 407 I C -0.491 175.653 176.117 0.045 0.000 0.998 407 I CA -0.701 60.682 61.300 0.138 0.000 1.227 407 I CB 1.385 39.508 38.000 0.205 0.000 1.368 407 I HN 0.245 nan 8.210 nan 0.000 0.466 408 V N 5.200 125.098 119.914 -0.027 0.000 2.409 408 V HA 0.587 4.708 4.120 0.003 0.000 0.291 408 V C -0.079 175.986 176.094 -0.049 0.000 1.020 408 V CA -0.335 61.955 62.300 -0.016 0.000 0.848 408 V CB 1.673 33.494 31.823 -0.003 0.000 0.990 408 V HN 0.786 nan 8.190 nan 0.000 0.430 409 T N 1.910 116.459 114.554 -0.009 0.000 2.932 409 T HA 0.407 4.759 4.350 0.003 0.000 0.318 409 T C -0.636 174.077 174.700 0.023 0.000 1.265 409 T CA -0.413 61.684 62.100 -0.005 0.000 1.036 409 T CB 1.809 70.680 68.868 0.004 0.000 1.209 409 T HN 0.847 nan 8.240 nan 0.000 0.484 410 D N 1.206 121.617 120.400 0.019 0.000 2.462 410 D HA 0.307 4.949 4.640 0.003 0.000 0.221 410 D C 1.434 177.746 176.300 0.019 0.000 1.173 410 D CA 0.540 54.552 54.000 0.021 0.000 0.831 410 D CB -0.109 40.699 40.800 0.013 0.000 1.001 410 D HN 1.085 nan 8.370 nan 0.000 0.499 411 G N -0.601 108.215 108.800 0.027 0.000 2.253 411 G HA2 -0.394 3.568 3.960 0.003 0.000 0.251 411 G HA3 -0.394 3.568 3.960 0.003 0.000 0.251 411 G C 0.977 175.889 174.900 0.020 0.000 0.998 411 G CA 0.930 46.044 45.100 0.025 0.000 0.621 411 G HN 0.758 nan 8.290 nan 0.000 0.524 412 E N -0.245 119.967 120.200 0.018 0.000 2.306 412 E HA 0.513 4.864 4.350 0.003 0.000 0.201 412 E C 0.962 177.578 176.600 0.026 0.000 0.874 412 E CA 1.287 57.699 56.400 0.020 0.000 0.972 412 E CB 0.234 29.945 29.700 0.019 0.000 0.957 412 E HN 0.567 nan 8.360 nan 0.000 0.492 413 K N 0.569 120.988 120.400 0.033 0.000 2.270 413 K HA 0.554 4.876 4.320 0.003 0.000 0.255 413 K C -1.433 175.174 176.600 0.011 0.000 0.936 413 K CA -0.360 55.962 56.287 0.058 0.000 0.809 413 K CB 2.006 34.562 32.500 0.094 0.000 1.131 413 K HN 0.197 nan 8.250 nan 0.000 0.427 414 T N 4.295 118.826 114.554 -0.037 0.000 2.881 414 T HA 0.430 4.782 4.350 0.003 0.000 0.291 414 T C -1.035 173.492 174.700 -0.288 0.000 0.990 414 T CA -0.649 61.341 62.100 -0.182 0.000 0.976 414 T CB 0.629 69.367 68.868 -0.216 0.000 0.970 414 T HN 0.338 nan 8.240 nan 0.000 0.438 415 L N 2.904 123.950 121.223 -0.294 0.000 2.334 415 L HA 0.734 5.076 4.340 0.003 0.000 0.273 415 L C -0.949 175.676 176.870 -0.407 0.000 1.013 415 L CA -0.797 53.900 54.840 -0.239 0.000 0.816 415 L CB 1.142 43.188 42.059 -0.022 0.000 1.278 415 L HN 0.526 nan 8.230 nan 0.000 0.431 416 F N 0.597 120.601 119.950 0.090 0.000 2.449 416 F HA 0.402 4.931 4.527 0.003 0.000 0.342 416 F C 0.175 176.036 175.800 0.102 0.000 1.127 416 F CA -0.700 57.349 58.000 0.082 0.000 0.975 416 F CB 1.418 40.439 39.000 0.034 0.000 1.146 416 F HN 0.395 nan 8.300 nan 0.000 0.444 417 N N 3.666 122.541 118.700 0.291 0.000 2.426 417 N HA 0.425 5.167 4.740 0.003 0.000 0.275 417 N C 0.307 175.945 175.510 0.214 0.000 1.019 417 N CA -0.406 52.785 53.050 0.235 0.000 0.941 417 N CB 0.772 39.380 38.487 0.201 0.000 1.123 417 N HN 0.660 nan 8.380 nan 0.000 0.486 418 I N -0.387 120.281 120.570 0.162 0.000 4.081 418 I HA 0.305 4.476 4.170 0.003 0.000 0.333 418 I C 0.161 176.324 176.117 0.076 0.000 1.413 418 I CA -0.501 60.874 61.300 0.124 0.000 1.110 418 I CB -0.071 37.975 38.000 0.076 0.000 1.082 418 I HN 0.339 nan 8.210 nan 0.000 0.402 419 T N -0.431 114.128 114.554 0.009 0.000 2.899 419 T HA 0.706 5.058 4.350 0.003 0.000 0.295 419 T C 0.477 175.193 174.700 0.027 0.000 1.033 419 T CA 0.355 62.419 62.100 -0.060 0.000 1.084 419 T CB 1.336 70.022 68.868 -0.304 0.000 0.979 419 T HN 0.837 nan 8.240 nan 0.000 0.532 420 G N 1.610 110.430 108.800 0.033 0.000 2.343 420 G HA2 0.348 4.310 3.960 0.003 0.000 0.465 420 G HA3 0.348 4.310 3.960 0.003 0.000 0.465 420 G C -1.381 173.543 174.900 0.040 0.000 1.282 420 G CA -0.389 44.731 45.100 0.032 0.000 0.996 420 G HN 1.545 nan 8.290 nan 0.000 0.521 421 N N -3.412 115.297 118.700 0.016 0.000 3.106 421 N HA 0.599 5.341 4.740 0.003 0.000 0.253 421 N C 0.838 176.341 175.510 -0.010 0.000 1.506 421 N CA 0.542 53.602 53.050 0.017 0.000 0.876 421 N CB 0.565 39.068 38.487 0.027 0.000 1.452 421 N HN 1.202 nan 8.380 nan 0.000 0.542 422 T N -4.242 110.302 114.554 -0.016 0.000 3.098 422 T HA 0.087 4.439 4.350 0.003 0.000 0.266 422 T C 1.622 176.296 174.700 -0.044 0.000 1.145 422 T CA 1.051 63.130 62.100 -0.034 0.000 1.092 422 T CB -1.199 67.648 68.868 -0.035 0.000 0.908 422 T HN 0.700 nan 8.240 nan 0.000 0.526 423 G N 1.591 110.360 108.800 -0.051 0.000 2.448 423 G HA2 0.005 3.967 3.960 0.003 0.000 0.219 423 G HA3 0.005 3.967 3.960 0.003 0.000 0.219 423 G C 1.337 176.172 174.900 -0.108 0.000 1.127 423 G CA 0.320 45.364 45.100 -0.093 0.000 0.766 423 G HN 0.577 nan 8.290 nan 0.000 0.552 424 L N 1.041 122.210 121.223 -0.090 0.000 2.552 424 L HA 0.087 4.429 4.340 0.003 0.000 0.227 424 L C 1.092 177.942 176.870 -0.033 0.000 1.146 424 L CA 0.066 54.862 54.840 -0.073 0.000 0.858 424 L CB 0.134 42.159 42.059 -0.057 0.000 0.969 424 L HN 0.018 nan 8.230 nan 0.000 0.451 425 S N 1.139 116.811 115.700 -0.046 0.000 3.965 425 S HA 0.258 4.730 4.470 0.003 0.000 0.195 425 S C -0.019 174.548 174.600 -0.055 0.000 1.449 425 S CA -0.016 58.153 58.200 -0.052 0.000 0.965 425 S CB -0.254 62.910 63.200 -0.059 0.000 1.459 425 S HN 0.206 nan 8.310 nan 0.000 0.476 426 K N 0.808 121.180 120.400 -0.047 0.000 2.583 426 K HA 0.346 4.668 4.320 0.003 0.000 0.260 426 K C 0.032 176.616 176.600 -0.026 0.000 0.931 426 K CA -0.590 55.672 56.287 -0.043 0.000 0.849 426 K CB 1.476 33.943 32.500 -0.054 0.000 1.347 426 K HN 0.492 nan 8.250 nan 0.000 0.425 427 G N 0.568 109.356 108.800 -0.020 0.000 2.474 427 G HA2 0.329 4.291 3.960 0.003 0.000 0.233 427 G HA3 0.329 4.291 3.960 0.003 0.000 0.233 427 G C 0.936 175.841 174.900 0.009 0.000 1.278 427 G CA 1.004 46.102 45.100 -0.004 0.000 0.861 427 G HN 0.990 nan 8.290 nan 0.000 0.567 428 G N 0.664 109.479 108.800 0.025 0.000 2.308 428 G HA2 -0.321 3.641 3.960 0.003 0.000 0.221 428 G HA3 -0.321 3.641 3.960 0.003 0.000 0.221 428 G C 1.817 176.755 174.900 0.063 0.000 1.032 428 G CA 0.954 46.077 45.100 0.039 0.000 0.623 428 G HN 1.033 nan 8.290 nan 0.000 0.506 429 S N 0.871 116.611 115.700 0.067 0.000 2.353 429 S HA -0.011 4.460 4.470 0.003 0.000 0.222 429 S C 2.500 177.246 174.600 0.243 0.000 1.035 429 S CA 2.316 60.605 58.200 0.148 0.000 1.025 429 S CB -0.801 62.463 63.200 0.106 0.000 0.902 429 S HN 1.389 nan 8.310 nan 0.000 0.440 430 G N 1.824 110.702 108.800 0.129 0.000 2.422 430 G HA2 -0.204 3.758 3.960 0.003 0.000 0.218 430 G HA3 -0.204 3.758 3.960 0.003 0.000 0.218 430 G C 0.960 175.880 174.900 0.034 0.000 1.146 430 G CA 0.976 46.112 45.100 0.060 0.000 0.769 430 G HN 0.395 nan 8.290 nan 0.000 0.547 431 D N 0.448 120.879 120.400 0.053 0.000 2.149 431 D HA -0.103 4.539 4.640 0.003 0.000 0.198 431 D C 2.738 179.068 176.300 0.051 0.000 0.990 431 D CA 0.747 54.775 54.000 0.046 0.000 0.839 431 D CB -0.476 40.356 40.800 0.053 0.000 0.948 431 D HN 0.229 nan 8.370 nan 0.000 0.460 432 V N 1.110 121.074 119.914 0.082 0.000 2.261 432 V HA -0.219 3.903 4.120 0.003 0.000 0.246 432 V C 2.513 178.648 176.094 0.069 0.000 1.047 432 V CA 1.162 63.521 62.300 0.097 0.000 1.015 432 V CB -0.548 31.374 31.823 0.164 0.000 0.642 432 V HN 0.130 nan 8.190 nan 0.000 0.446 433 L N 0.035 121.252 121.223 -0.011 0.000 2.042 433 L HA -0.186 4.155 4.340 0.003 0.000 0.210 433 L C 2.440 179.274 176.870 -0.059 0.000 1.076 433 L CA 2.533 57.260 54.840 -0.189 0.000 0.749 433 L CB -1.022 40.707 42.059 -0.550 0.000 0.893 433 L HN 0.363 nan 8.230 nan 0.000 0.432 434 T N -0.043 114.492 114.554 -0.032 0.000 2.684 434 T HA -0.054 4.298 4.350 0.003 0.000 0.267 434 T C 1.048 175.756 174.700 0.014 0.000 1.036 434 T CA 1.007 63.106 62.100 -0.003 0.000 1.148 434 T CB -0.898 67.974 68.868 0.006 0.000 0.863 434 T HN 0.616 nan 8.240 nan 0.000 0.436 438 A N 1.335 124.194 122.820 0.066 0.000 1.902 438 A HA -0.029 4.293 4.320 0.003 0.000 0.217 438 A C 2.170 179.773 177.584 0.031 0.000 1.181 438 A CA 2.373 54.439 52.037 0.048 0.000 0.623 438 A CB -1.270 17.749 19.000 0.032 0.000 0.818 438 A HN 0.511 nan 8.150 nan 0.000 0.443 439 G N -1.137 107.647 108.800 -0.027 0.000 2.476 439 G HA2 -0.225 3.737 3.960 0.003 0.000 0.218 439 G HA3 -0.225 3.737 3.960 0.003 0.000 0.218 439 G C 1.324 176.163 174.900 -0.102 0.000 1.164 439 G CA 1.273 46.299 45.100 -0.123 0.000 0.768 439 G HN 0.415 nan 8.290 nan 0.000 0.560 440 F N 0.586 120.557 119.950 0.035 0.000 2.259 440 F HA 0.223 4.752 4.527 0.002 0.000 0.298 440 F C 2.589 178.411 175.800 0.037 0.000 1.088 440 F CA 0.115 58.138 58.000 0.038 0.000 1.358 440 F CB -0.200 38.821 39.000 0.035 0.000 1.040 440 F HN 0.063 nan 8.300 nan 0.000 0.505 441 I N -0.345 120.341 120.570 0.194 0.000 2.179 441 I HA -0.309 3.862 4.170 0.003 0.000 0.242 441 I C 2.649 178.823 176.117 0.094 0.000 1.088 441 I CA 1.237 62.609 61.300 0.120 0.000 1.357 441 I CB -0.825 37.226 38.000 0.085 0.000 1.051 441 I HN 0.065 nan 8.210 nan 0.000 0.409 442 A N 0.200 123.066 122.820 0.077 0.000 1.948 442 A HA -0.284 4.038 4.320 0.003 0.000 0.220 442 A C 2.160 179.793 177.584 0.081 0.000 1.177 442 A CA 1.788 53.863 52.037 0.063 0.000 0.636 442 A CB -0.656 18.371 19.000 0.046 0.000 0.815 442 A HN 0.563 nan 8.150 nan 0.000 0.449 443 Q N -2.100 117.767 119.800 0.112 0.000 2.444 443 Q HA 0.276 4.618 4.340 0.003 0.000 0.206 443 Q C 1.121 177.200 176.000 0.132 0.000 0.948 443 Q CA 0.430 56.325 55.803 0.153 0.000 0.946 443 Q CB 0.188 29.047 28.738 0.202 0.000 1.027 443 Q HN 0.900 nan 8.270 nan 0.000 0.513 444 G N 0.015 108.879 108.800 0.108 0.000 2.192 444 G HA2 -0.180 3.782 3.960 0.003 0.000 0.193 444 G HA3 -0.180 3.782 3.960 0.003 0.000 0.193 444 G C 0.008 174.951 174.900 0.072 0.000 0.999 444 G CA -0.621 44.525 45.100 0.076 0.000 0.659 444 G HN 0.160 nan 8.290 nan 0.000 0.503 445 L N 2.364 123.646 121.223 0.099 0.000 2.439 445 L HA 0.460 4.802 4.340 0.003 0.000 0.269 445 L C 1.683 178.582 176.870 0.048 0.000 1.179 445 L CA 0.255 55.133 54.840 0.064 0.000 0.828 445 L CB 1.026 43.123 42.059 0.064 0.000 1.106 445 L HN 0.511 nan 8.230 nan 0.000 0.467 446 S N 2.176 117.889 115.700 0.022 0.000 2.580 446 S HA 0.094 4.566 4.470 0.003 0.000 0.266 446 S C -1.783 172.831 174.600 0.023 0.000 1.354 446 S CA -0.961 57.249 58.200 0.017 0.000 1.008 446 S CB 0.730 63.931 63.200 0.003 0.000 0.898 446 S HN 0.440 nan 8.310 nan 0.000 0.555 447 P HA -0.134 nan 4.420 nan 0.000 0.216 447 P C 1.639 178.951 177.300 0.020 0.000 1.154 447 P CA 0.755 63.873 63.100 0.029 0.000 0.865 447 P CB -0.038 31.676 31.700 0.023 0.000 0.789 448 L N -0.128 121.099 121.223 0.007 0.000 2.027 448 L HA -0.146 4.196 4.340 0.003 0.000 0.206 448 L C 2.155 179.011 176.870 -0.022 0.000 1.074 448 L CA 1.909 56.747 54.840 -0.004 0.000 0.745 448 L CB -1.196 40.859 42.059 -0.007 0.000 0.898 448 L HN -0.095 nan 8.230 nan 0.000 0.433 449 E N -0.275 119.906 120.200 -0.033 0.000 2.049 449 E HA -0.281 4.071 4.350 0.003 0.000 0.198 449 E C 2.182 178.731 176.600 -0.085 0.000 1.007 449 E CA 1.388 57.749 56.400 -0.065 0.000 0.809 449 E CB -0.444 29.220 29.700 -0.059 0.000 0.749 449 E HN 0.653 nan 8.360 nan 0.000 0.450 450 A N 0.851 123.653 122.820 -0.029 0.000 1.940 450 A HA -0.226 4.096 4.320 0.003 0.000 0.219 450 A C 2.327 179.920 177.584 0.014 0.000 1.176 450 A CA 1.916 53.962 52.037 0.014 0.000 0.631 450 A CB -0.474 18.604 19.000 0.130 0.000 0.814 450 A HN 0.140 nan 8.150 nan 0.000 0.446 451 S N -0.677 115.032 115.700 0.016 0.000 2.371 451 S HA -0.103 4.368 4.470 0.003 0.000 0.224 451 S C 2.058 176.665 174.600 0.012 0.000 1.029 451 S CA 1.612 59.827 58.200 0.025 0.000 0.978 451 S CB -0.520 62.693 63.200 0.023 0.000 0.833 451 S HN 0.705 nan 8.310 nan 0.000 0.466 452 T N 2.251 116.793 114.554 -0.020 0.000 2.684 452 T HA -0.077 4.274 4.350 0.003 0.000 0.267 452 T C 1.949 176.638 174.700 -0.018 0.000 1.036 452 T CA 1.367 63.455 62.100 -0.020 0.000 1.148 452 T CB -0.490 68.339 68.868 -0.065 0.000 0.863 452 T HN 0.167 nan 8.240 nan 0.000 0.436 453 V N 1.290 121.126 119.914 -0.129 0.000 2.307 453 V HA -0.157 3.964 4.120 0.003 0.000 0.245 453 V C 2.737 178.802 176.094 -0.049 0.000 1.045 453 V CA 1.828 63.995 62.300 -0.223 0.000 1.024 453 V CB -0.737 30.704 31.823 -0.636 0.000 0.651 453 V HN 0.433 nan 8.190 nan 0.000 0.449 454 S N 0.514 116.215 115.700 0.002 0.000 2.356 454 S HA -0.186 4.285 4.470 0.003 0.000 0.223 454 S C 2.116 176.828 174.600 0.186 0.000 1.032 454 S CA 1.706 60.022 58.200 0.193 0.000 1.005 454 S CB -0.412 62.915 63.200 0.212 0.000 0.867 454 S HN 0.593 nan 8.310 nan 0.000 0.449 455 V N -0.295 119.697 119.914 0.131 0.000 2.392 455 V HA -0.214 3.908 4.120 0.003 0.000 0.249 455 V C 1.917 178.141 176.094 0.217 0.000 1.059 455 V CA 1.904 64.292 62.300 0.146 0.000 1.051 455 V CB -1.292 30.601 31.823 0.116 0.000 0.658 455 V HN 0.506 nan 8.190 nan 0.000 0.455 456 Y N 1.024 121.390 120.300 0.110 0.000 2.114 456 Y HA -0.116 4.435 4.550 0.002 0.000 0.284 456 Y C 2.276 178.291 175.900 0.192 0.000 1.143 456 Y CA 2.273 60.440 58.100 0.111 0.000 1.135 456 Y CB -0.223 38.257 38.460 0.034 0.000 0.980 456 Y HN 0.204 nan 8.280 nan 0.000 0.499 457 L N -0.779 120.667 121.223 0.371 0.000 2.056 457 L HA -0.255 4.087 4.340 0.003 0.000 0.207 457 L C 2.698 179.723 176.870 0.259 0.000 1.078 457 L CA 1.631 56.686 54.840 0.358 0.000 0.749 457 L CB -0.996 41.289 42.059 0.376 0.000 0.901 457 L HN 0.420 nan 8.230 nan 0.000 0.433 458 H N 0.285 119.438 119.070 0.138 0.000 2.357 458 H HA -0.197 4.361 4.556 0.003 0.000 0.296 458 H C 1.958 177.316 175.328 0.050 0.000 1.108 458 H CA 1.951 58.050 56.048 0.085 0.000 1.273 458 H CB 0.130 29.944 29.762 0.088 0.000 1.367 458 H HN 0.363 nan 8.280 nan 0.000 0.498 459 G N -0.252 108.607 108.800 0.098 0.000 2.396 459 G HA2 -0.230 3.731 3.960 0.003 0.000 0.214 459 G HA3 -0.230 3.731 3.960 0.003 0.000 0.214 459 G C 1.581 176.491 174.900 0.017 0.000 1.166 459 G CA 0.367 45.469 45.100 0.003 0.000 0.793 459 G HN 0.429 nan 8.290 nan 0.000 0.533 460 F N 2.780 122.614 119.950 -0.194 0.000 2.134 460 F HA 0.085 4.613 4.527 0.002 0.000 0.299 460 F C 2.701 178.466 175.800 -0.059 0.000 1.097 460 F CA 0.757 58.654 58.000 -0.172 0.000 1.264 460 F CB -0.628 38.232 39.000 -0.234 0.000 1.001 460 F HN 0.228 nan 8.300 nan 0.000 0.479 461 A N 0.485 123.228 122.820 -0.127 0.000 1.908 461 A HA -0.103 4.219 4.320 0.003 0.000 0.218 461 A C 2.487 179.987 177.584 -0.141 0.000 1.181 461 A CA 2.119 54.045 52.037 -0.185 0.000 0.627 461 A CB -1.573 17.378 19.000 -0.082 0.000 0.818 461 A HN 0.482 nan 8.150 nan 0.000 0.445 462 A N -0.287 122.457 122.820 -0.126 0.000 1.933 462 A HA -0.167 4.155 4.320 0.003 0.000 0.218 462 A C 1.862 179.437 177.584 -0.015 0.000 1.175 462 A CA 1.623 53.598 52.037 -0.104 0.000 0.628 462 A CB -0.492 18.422 19.000 -0.143 0.000 0.814 462 A HN 0.661 nan 8.150 nan 0.000 0.444 463 E N -0.371 119.823 120.200 -0.011 0.000 2.274 463 E HA -0.013 4.339 4.350 0.003 0.000 0.194 463 E C 1.440 178.043 176.600 0.004 0.000 0.996 463 E CA 0.499 56.922 56.400 0.037 0.000 0.840 463 E CB -0.159 29.609 29.700 0.113 0.000 0.772 463 E HN 0.618 nan 8.360 nan 0.000 0.491 464 L N 0.545 121.712 121.223 -0.094 0.000 2.554 464 L HA 0.064 4.406 4.340 0.003 0.000 0.226 464 L C 0.723 177.600 176.870 0.011 0.000 1.137 464 L CA -0.489 54.284 54.840 -0.112 0.000 0.863 464 L CB -0.050 41.853 42.059 -0.260 0.000 0.985 464 L HN 0.099 nan 8.230 nan 0.000 0.451 465 F N 1.615 121.509 119.950 -0.093 0.000 2.607 465 F HA -0.079 4.452 4.527 0.005 0.000 0.374 465 F C 1.303 177.077 175.800 -0.045 0.000 1.104 465 F CA -0.021 57.941 58.000 -0.063 0.000 1.296 465 F CB 0.691 39.658 39.000 -0.054 0.000 1.085 465 F HN -0.031 nan 8.300 nan 0.000 0.584 466 E N 1.749 121.588 120.200 -0.601 0.000 2.385 466 E HA -0.022 4.330 4.350 0.003 0.000 0.194 466 E C 0.344 176.651 176.600 -0.488 0.000 1.013 466 E CA 0.525 56.667 56.400 -0.430 0.000 0.866 466 E CB 0.038 29.543 29.700 -0.326 0.000 0.832 466 E HN 0.536 nan 8.360 nan 0.000 0.500 467 Q N -0.159 119.120 119.800 -0.869 0.000 3.106 467 Q HA 0.189 4.530 4.340 0.003 0.000 0.247 467 Q C -0.300 175.594 176.000 -0.178 0.000 1.033 467 Q CA -0.589 54.928 55.803 -0.478 0.000 0.888 467 Q CB -0.081 28.381 28.738 -0.462 0.000 1.586 467 Q HN 0.038 nan 8.270 nan 0.000 0.482 468 D N 1.675 122.086 120.400 0.019 0.000 2.425 468 D HA -0.063 4.579 4.640 0.003 0.000 0.247 468 D C 0.962 177.432 176.300 0.284 0.000 1.147 468 D CA 0.232 54.304 54.000 0.120 0.000 0.879 468 D CB 0.945 41.792 40.800 0.078 0.000 1.179 468 D HN 0.557 nan 8.370 nan 0.000 0.456 469 E N 4.099 124.426 120.200 0.212 0.000 2.219 469 E HA -0.280 4.072 4.350 0.003 0.000 0.198 469 E C 1.623 178.264 176.600 0.068 0.000 0.998 469 E CA 0.919 57.429 56.400 0.182 0.000 0.818 469 E CB -0.207 29.549 29.700 0.093 0.000 0.741 469 E HN 0.546 nan 8.360 nan 0.000 0.477 470 R N 0.801 121.341 120.500 0.067 0.000 2.236 470 R HA 0.053 4.395 4.340 0.003 0.000 0.208 470 R C 2.075 178.380 176.300 0.007 0.000 1.036 470 R CA 1.086 57.196 56.100 0.018 0.000 1.001 470 R CB -0.305 30.007 30.300 0.020 0.000 0.896 470 R HN 0.183 nan 8.270 nan 0.000 0.464 471 G N 1.525 110.366 108.800 0.068 0.000 2.920 471 G HA2 0.011 3.973 3.960 0.003 0.000 0.208 471 G HA3 0.011 3.973 3.960 0.003 0.000 0.208 471 G C 0.296 175.100 174.900 -0.160 0.000 1.159 471 G CA -0.422 44.713 45.100 0.059 0.000 0.784 471 G HN 0.211 nan 8.290 nan 0.000 0.535 472 L N 2.945 123.918 121.223 -0.417 0.000 2.453 472 L HA 0.469 4.810 4.340 0.003 0.000 0.272 472 L C 0.591 177.222 176.870 -0.398 0.000 1.182 472 L CA 0.168 54.522 54.840 -0.809 0.000 0.858 472 L CB 0.759 42.405 42.059 -0.689 0.000 1.120 472 L HN 0.124 nan 8.230 nan 0.000 0.474 473 T N 1.435 115.775 114.554 -0.356 0.000 2.887 473 T HA 0.708 5.059 4.350 0.003 0.000 0.292 473 T C 0.845 175.456 174.700 -0.148 0.000 1.087 473 T CA -0.331 61.661 62.100 -0.180 0.000 1.009 473 T CB 1.307 70.110 68.868 -0.107 0.000 1.203 473 T HN 0.657 nan 8.240 nan 0.000 0.518 474 A N 1.077 123.853 122.820 -0.072 0.000 1.933 474 A HA 0.020 4.341 4.320 0.003 0.000 0.218 474 A C 2.491 180.073 177.584 -0.004 0.000 1.175 474 A CA 2.132 54.150 52.037 -0.032 0.000 0.628 474 A CB -1.495 17.514 19.000 0.015 0.000 0.814 474 A HN 0.806 nan 8.150 nan 0.000 0.444 475 S N -0.317 115.394 115.700 0.019 0.000 2.370 475 S HA -0.148 4.324 4.470 0.003 0.000 0.226 475 S C 1.929 176.556 174.600 0.046 0.000 1.033 475 S CA 1.432 59.675 58.200 0.072 0.000 1.011 475 S CB -0.284 62.959 63.200 0.072 0.000 0.852 475 S HN 0.602 nan 8.310 nan 0.000 0.457 476 E N 0.795 120.988 120.200 -0.012 0.000 2.150 476 E HA -0.066 4.286 4.350 0.003 0.000 0.193 476 E C 2.092 178.672 176.600 -0.033 0.000 0.985 476 E CA 0.454 56.848 56.400 -0.010 0.000 0.814 476 E CB -0.444 29.212 29.700 -0.074 0.000 0.752 476 E HN 0.357 nan 8.360 nan 0.000 0.466 477 L N 0.894 122.065 121.223 -0.087 0.000 2.017 477 L HA -0.147 4.195 4.340 0.003 0.000 0.208 477 L C 2.278 179.126 176.870 -0.036 0.000 1.073 477 L CA 1.326 56.113 54.840 -0.088 0.000 0.745 477 L CB -0.529 41.456 42.059 -0.124 0.000 0.894 477 L HN 0.055 nan 8.230 nan 0.000 0.432 478 L N -0.591 120.625 121.223 -0.011 0.000 2.013 478 L HA -0.282 4.060 4.340 0.003 0.000 0.212 478 L C 2.817 179.676 176.870 -0.019 0.000 1.073 478 L CA 1.863 56.694 54.840 -0.016 0.000 0.753 478 L CB -0.617 41.432 42.059 -0.017 0.000 0.890 478 L HN 0.329 nan 8.230 nan 0.000 0.432 479 R N 0.400 120.905 120.500 0.009 0.000 2.127 479 R HA -0.163 4.179 4.340 0.003 0.000 0.238 479 R C 2.137 178.439 176.300 0.002 0.000 1.134 479 R CA 1.341 57.451 56.100 0.017 0.000 0.975 479 R CB -0.127 30.203 30.300 0.049 0.000 0.865 479 R HN 0.356 nan 8.270 nan 0.000 0.447 480 L N 0.155 121.375 121.223 -0.004 0.000 2.446 480 L HA 0.023 4.364 4.340 0.003 0.000 0.219 480 L C 2.082 178.925 176.870 -0.045 0.000 1.116 480 L CA 0.094 54.919 54.840 -0.026 0.000 0.844 480 L CB -0.051 41.990 42.059 -0.030 0.000 0.970 480 L HN 0.199 nan 8.230 nan 0.000 0.457 481 I N 0.844 121.402 120.570 -0.021 0.000 2.151 481 I HA -0.246 3.926 4.170 0.003 0.000 0.243 481 I C -0.354 175.774 176.117 0.019 0.000 1.080 481 I CA 1.721 63.026 61.300 0.009 0.000 1.339 481 I CB -1.231 36.782 38.000 0.022 0.000 1.039 481 I HN 0.233 nan 8.210 nan 0.000 0.409 482 P HA -0.167 nan 4.420 nan 0.000 0.221 482 P C 1.364 178.671 177.300 0.011 0.000 1.150 482 P CA 1.260 64.364 63.100 0.007 0.000 0.800 482 P CB -0.042 31.651 31.700 -0.012 0.000 0.787 483 E N -0.121 120.070 120.200 -0.016 0.000 2.107 483 E HA -0.115 4.237 4.350 0.003 0.000 0.191 483 E C 1.913 178.488 176.600 -0.041 0.000 0.982 483 E CA 0.822 57.205 56.400 -0.030 0.000 0.809 483 E CB -0.353 29.310 29.700 -0.062 0.000 0.756 483 E HN 0.045 nan 8.360 nan 0.000 0.459 484 A N 1.301 124.069 122.820 -0.087 0.000 1.908 484 A HA -0.174 4.147 4.320 0.003 0.000 0.218 484 A C 2.127 179.854 177.584 0.238 0.000 1.181 484 A CA 1.264 53.261 52.037 -0.067 0.000 0.627 484 A CB -0.604 18.364 19.000 -0.054 0.000 0.818 484 A HN 0.308 nan 8.150 nan 0.000 0.445 485 I N -1.212 119.464 120.570 0.175 0.000 2.315 485 I HA -0.223 3.949 4.170 0.003 0.000 0.248 485 I C 2.701 178.908 176.117 0.150 0.000 1.117 485 I CA 1.502 62.914 61.300 0.186 0.000 1.404 485 I CB -0.329 37.760 38.000 0.148 0.000 1.071 485 I HN 0.378 nan 8.210 nan 0.000 0.419 486 R N 1.251 121.816 120.500 0.110 0.000 2.081 486 R HA -0.155 4.187 4.340 0.003 0.000 0.235 486 R C 2.402 178.777 176.300 0.125 0.000 1.131 486 R CA 1.503 57.657 56.100 0.090 0.000 0.960 486 R CB -0.072 30.262 30.300 0.057 0.000 0.856 486 R HN 0.272 nan 8.270 nan 0.000 0.436 487 R N 0.203 120.818 120.500 0.190 0.000 2.148 487 R HA -0.002 4.340 4.340 0.003 0.000 0.223 487 R C 2.372 178.837 176.300 0.275 0.000 1.088 487 R CA 0.708 56.967 56.100 0.264 0.000 0.985 487 R CB -0.234 30.298 30.300 0.386 0.000 0.880 487 R HN 0.260 nan 8.270 nan 0.000 0.451 488 L N 1.144 122.540 121.223 0.288 0.000 2.054 488 L HA -0.276 4.066 4.340 0.003 0.000 0.220 488 L C 0.847 177.758 176.870 0.067 0.000 1.081 488 L CA 1.713 56.636 54.840 0.138 0.000 0.780 488 L CB -0.364 41.768 42.059 0.122 0.000 0.893 488 L HN 0.235 nan 8.230 nan 0.000 0.438 489 K N 0.000 120.446 120.400 0.077 0.000 2.780 489 K HA 0.000 4.322 4.320 0.003 0.000 0.191 489 K CA 0.000 56.315 56.287 0.047 0.000 0.838 489 K CB 0.000 32.526 32.500 0.043 0.000 1.064 489 K HN 0.000 nan 8.250 nan 0.000 0.543