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 2wrf_1_I DATA FIRST_RESID 7 DATA SEQUENCE IcVGYHSNNS TEKVDTILER NVTVTHAQDI LEKTHNGKLc KLNGIPPLEL DATA SEQUENCE GDcSIAGWLL GNPEcDRLLT VPEWSYIMEK ENPRNGLcYP GSFNDYEELK DATA SEQUENCE HLISSVTHFE KVKILPKDRW TQHTTTGGSQ GcAVFDNPSF FRNMVWLTKK DATA SEQUENCE GSNYPVAKGS YNNTSGEQML IIWGVHHPND ETEQRTLYQN VGAYVSVGTS DATA SEQUENCE TLNKRSLPEI ATRPEVNGQG GRMEFSWTIL DIWDTINFES TGNLIAPEYG DATA SEQUENCE FKISKRGSSG IMKTEGTLEN cETKcQTPLG AINTTLPFHN IHPLTIGEcP DATA SEQUENCE KYVKSERLVL ATGLRNVPQX XXXGLFGAIA GFIEGGWQGM VDGWYGYHHS DATA SEQUENCE NDQGSGYAAD KESTQKAFDG ITNKVNSVIE KMNTQFEAVG KEFSNLEKRL DATA SEQUENCE ENLNKKMEDG FLDVWTYNAE LLVLMENEMT LDFHDSNVKN LYDKVRMQLR DATA SEQUENCE DNVKELGNGc FEFYHKcDDE cMNSVKNGTY DYSKYEEESK 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.333 176.117 0.360 0.000 1.063 7 I CA 0.000 61.481 61.300 0.302 0.000 1.566 7 I CB 0.000 38.190 38.000 0.317 0.000 1.214 8 c N 6.434 125.274 118.600 0.400 0.000 2.408 8 c HA 0.698 5.269 4.570 0.001 0.000 0.321 8 c C -0.121 174.448 174.090 0.797 0.000 1.245 8 c CA -0.542 56.120 56.329 0.555 0.000 1.523 8 c CB 1.610 44.424 42.510 0.507 0.000 2.178 8 c HN 0.410 nan 8.230 nan 0.000 0.488 9 V N 3.564 123.898 119.914 0.700 0.000 2.439 9 V HA 0.900 5.021 4.120 0.001 0.000 0.282 9 V C 0.672 176.868 176.094 0.171 0.000 1.039 9 V CA 0.466 63.073 62.300 0.512 0.000 0.913 9 V CB 1.242 33.350 31.823 0.475 0.000 0.983 9 V HN 1.173 nan 8.190 nan 0.000 0.460 10 G N 3.424 111.951 108.800 -0.454 0.000 2.550 10 G HA2 0.666 4.627 3.960 0.001 0.000 0.293 10 G HA3 0.666 4.627 3.960 0.001 0.000 0.293 10 G C -1.914 172.308 174.900 -1.129 0.000 1.402 10 G CA -0.582 43.624 45.100 -1.490 0.000 0.784 10 G HN 0.744 nan 8.290 nan 0.000 0.482 11 Y N -1.699 118.033 120.300 -0.946 0.000 2.576 11 Y HA 0.775 5.326 4.550 0.001 0.000 0.346 11 Y C -0.124 175.635 175.900 -0.235 0.000 1.018 11 Y CA -1.716 56.168 58.100 -0.360 0.000 1.050 11 Y CB 0.863 39.212 38.460 -0.184 0.000 1.280 11 Y HN 0.786 nan 8.280 nan 0.000 0.474 12 H N 1.483 120.614 119.070 0.102 0.000 2.972 12 H HA 0.542 5.098 4.556 0.001 0.000 0.343 12 H C -0.488 174.909 175.328 0.115 0.000 1.054 12 H CA 0.846 56.955 56.048 0.101 0.000 1.412 12 H CB 0.388 30.256 29.762 0.177 0.000 1.385 12 H HN 1.105 nan 8.280 nan 0.000 0.600 13 S N 2.957 118.412 115.700 -0.408 0.000 2.599 13 S HA 0.680 5.151 4.470 0.001 0.000 0.287 13 S C -0.507 173.722 174.600 -0.618 0.000 1.105 13 S CA -0.397 57.559 58.200 -0.408 0.000 0.899 13 S CB 1.445 64.561 63.200 -0.141 0.000 1.100 13 S HN 1.043 nan 8.310 nan 0.000 0.482 14 N N -0.305 118.160 118.700 -0.392 0.000 3.308 14 N HA 0.252 4.993 4.740 0.001 0.000 0.276 14 N C -1.726 173.715 175.510 -0.116 0.000 1.533 14 N CA -0.793 52.134 53.050 -0.205 0.000 0.878 14 N CB 0.084 38.492 38.487 -0.131 0.000 1.566 14 N HN 0.273 nan 8.380 nan 0.000 0.546 15 N N -0.392 118.280 118.700 -0.048 0.000 2.878 15 N HA 0.059 4.799 4.740 0.001 0.000 0.282 15 N C -0.733 174.751 175.510 -0.044 0.000 1.284 15 N CA 0.155 53.184 53.050 -0.035 0.000 1.053 15 N CB -0.322 38.162 38.487 -0.005 0.000 1.382 15 N HN 0.494 nan 8.380 nan 0.000 0.529 16 S N -0.234 115.414 115.700 -0.086 0.000 2.541 16 S HA 0.336 4.807 4.470 0.001 0.000 0.283 16 S C 1.116 175.671 174.600 -0.075 0.000 1.196 16 S CA -0.519 57.627 58.200 -0.091 0.000 1.062 16 S CB 0.737 63.833 63.200 -0.174 0.000 1.009 16 S HN 0.419 nan 8.310 nan 0.000 0.502 17 T N 0.791 115.314 114.554 -0.051 0.000 3.084 17 T HA 0.338 4.688 4.350 0.001 0.000 0.270 17 T C 0.088 174.765 174.700 -0.038 0.000 1.008 17 T CA -0.380 61.695 62.100 -0.042 0.000 0.900 17 T CB -0.088 68.764 68.868 -0.027 0.000 1.084 17 T HN 0.609 nan 8.240 nan 0.000 0.538 18 E N 1.804 121.980 120.200 -0.041 0.000 2.360 18 E HA 0.372 4.723 4.350 0.001 0.000 0.269 18 E C -0.699 175.880 176.600 -0.036 0.000 1.022 18 E CA -0.200 56.182 56.400 -0.028 0.000 0.887 18 E CB 0.794 30.485 29.700 -0.015 0.000 0.990 18 E HN 0.131 nan 8.360 nan 0.000 0.426 19 K N 1.237 121.620 120.400 -0.027 0.000 2.164 19 K HA 0.362 4.682 4.320 0.001 0.000 0.258 19 K C -0.697 175.888 176.600 -0.025 0.000 0.951 19 K CA -0.610 55.659 56.287 -0.031 0.000 0.844 19 K CB 1.768 34.251 32.500 -0.029 0.000 1.099 19 K HN 0.349 nan 8.250 nan 0.000 0.435 20 V N -1.686 118.210 119.914 -0.029 0.000 3.074 20 V HA 0.666 4.787 4.120 0.001 0.000 0.314 20 V C -1.019 175.056 176.094 -0.031 0.000 1.117 20 V CA -0.885 61.401 62.300 -0.025 0.000 1.014 20 V CB 2.217 34.029 31.823 -0.019 0.000 1.057 20 V HN 0.564 nan 8.190 nan 0.000 0.438 21 D N 1.542 121.922 120.400 -0.033 0.000 2.198 21 D HA 0.754 5.395 4.640 0.001 0.000 0.247 21 D C 0.271 176.548 176.300 -0.038 0.000 1.010 21 D CA 0.097 54.074 54.000 -0.038 0.000 0.880 21 D CB 2.071 42.845 40.800 -0.044 0.000 1.209 21 D HN 1.115 nan 8.370 nan 0.000 0.451 22 T N -2.023 112.508 114.554 -0.039 0.000 2.762 22 T HA 0.425 4.776 4.350 0.001 0.000 0.272 22 T C 1.003 175.678 174.700 -0.042 0.000 0.982 22 T CA -0.708 61.370 62.100 -0.037 0.000 1.013 22 T CB 0.650 69.499 68.868 -0.031 0.000 1.309 22 T HN 0.244 nan 8.240 nan 0.000 0.572 23 I N -0.334 120.212 120.570 -0.040 0.000 2.617 23 I HA 0.188 4.358 4.170 0.001 0.000 0.256 23 I C 1.722 177.815 176.117 -0.039 0.000 1.167 23 I CA 0.824 62.097 61.300 -0.044 0.000 1.469 23 I CB -0.062 37.911 38.000 -0.044 0.000 1.098 23 I HN 0.543 nan 8.210 nan 0.000 0.436 24 L N -0.537 120.665 121.223 -0.036 0.000 2.513 24 L HA 0.221 4.561 4.340 0.001 0.000 0.222 24 L C 0.554 177.403 176.870 -0.035 0.000 1.096 24 L CA 0.148 54.967 54.840 -0.035 0.000 0.857 24 L CB 0.106 42.144 42.059 -0.035 0.000 1.026 24 L HN 0.156 nan 8.230 nan 0.000 0.469 25 E N 0.178 120.356 120.200 -0.036 0.000 2.363 25 E HA 0.328 4.678 4.350 0.001 0.000 0.281 25 E C -1.039 175.539 176.600 -0.036 0.000 0.953 25 E CA -0.739 55.639 56.400 -0.036 0.000 0.778 25 E CB 1.769 31.447 29.700 -0.038 0.000 1.220 25 E HN -0.058 nan 8.360 nan 0.000 0.431 26 R N 2.268 122.747 120.500 -0.035 0.000 2.691 26 R HA 0.411 4.752 4.340 0.001 0.000 0.259 26 R C -0.031 176.249 176.300 -0.034 0.000 1.048 26 R CA -0.908 55.171 56.100 -0.035 0.000 1.086 26 R CB 0.254 30.535 30.300 -0.032 0.000 1.166 26 R HN 0.685 nan 8.270 nan 0.000 0.526 27 N N -0.465 118.215 118.700 -0.034 0.000 2.707 27 N HA -0.153 4.587 4.740 0.001 0.000 0.253 27 N C -0.780 174.707 175.510 -0.038 0.000 0.998 27 N CA 0.518 53.548 53.050 -0.033 0.000 0.751 27 N CB -1.128 37.342 38.487 -0.029 0.000 0.920 27 N HN 0.269 nan 8.380 nan 0.000 0.539 28 V N 1.036 120.925 119.914 -0.042 0.000 2.470 28 V HA 0.070 4.190 4.120 0.001 0.000 0.276 28 V C 1.032 177.092 176.094 -0.057 0.000 1.040 28 V CA -0.092 62.178 62.300 -0.050 0.000 1.008 28 V CB 1.254 33.046 31.823 -0.053 0.000 0.990 28 V HN 0.209 nan 8.190 nan 0.000 0.477 29 T N 5.936 120.452 114.554 -0.063 0.000 2.870 29 T HA 0.417 4.767 4.350 0.001 0.000 0.300 29 T C -0.040 174.601 174.700 -0.098 0.000 0.989 29 T CA -0.108 61.948 62.100 -0.073 0.000 1.139 29 T CB 0.906 69.731 68.868 -0.072 0.000 0.920 29 T HN 0.722 nan 8.240 nan 0.000 0.537 30 V N 0.741 120.592 119.914 -0.104 0.000 3.001 30 V HA 0.618 4.738 4.120 0.001 0.000 0.314 30 V C 1.261 177.239 176.094 -0.194 0.000 1.099 30 V CA -0.560 61.657 62.300 -0.139 0.000 0.989 30 V CB 1.307 33.069 31.823 -0.102 0.000 1.040 30 V HN 0.849 nan 8.190 nan 0.000 0.434 31 T N -0.510 113.882 114.554 -0.269 0.000 2.788 31 T HA -0.001 4.350 4.350 0.001 0.000 0.268 31 T C 0.493 174.655 174.700 -0.896 0.000 1.044 31 T CA 1.834 63.614 62.100 -0.533 0.000 1.139 31 T CB -0.620 68.012 68.868 -0.394 0.000 0.867 31 T HN 0.994 nan 8.240 nan 0.000 0.454 32 H N -0.426 118.684 119.070 0.066 0.000 3.086 32 H HA 0.752 5.308 4.556 0.001 0.000 0.353 32 H C -0.292 175.085 175.328 0.082 0.000 1.134 32 H CA -0.462 55.645 56.048 0.099 0.000 1.248 32 H CB 1.604 31.472 29.762 0.177 0.000 1.878 32 H HN 0.445 nan 8.280 nan 0.000 0.527 33 A N 1.811 124.731 122.820 0.167 0.000 2.539 33 A HA 0.830 5.151 4.320 0.001 0.000 0.272 33 A C -1.305 176.345 177.584 0.109 0.000 1.286 33 A CA -0.743 51.362 52.037 0.112 0.000 0.792 33 A CB 2.119 21.153 19.000 0.056 0.000 1.355 33 A HN 0.612 nan 8.150 nan 0.000 0.472 34 Q N -0.016 119.833 119.800 0.080 0.000 2.364 34 Q HA 0.357 4.697 4.340 0.001 0.000 0.257 34 Q C -2.338 173.697 176.000 0.059 0.000 0.956 34 Q CA -0.520 55.327 55.803 0.073 0.000 0.924 34 Q CB 1.825 30.612 28.738 0.082 0.000 1.413 34 Q HN 0.671 nan 8.270 nan 0.000 0.418 35 D N 3.905 124.337 120.400 0.053 0.000 2.316 35 D HA 0.214 4.854 4.640 0.001 0.000 0.245 35 D C 0.762 177.102 176.300 0.066 0.000 1.171 35 D CA -0.247 53.782 54.000 0.049 0.000 0.856 35 D CB 0.918 41.742 40.800 0.041 0.000 1.090 35 D HN 0.635 nan 8.370 nan 0.000 0.476 36 I N 1.088 121.709 120.570 0.084 0.000 3.956 36 I HA 0.281 4.451 4.170 0.001 0.000 0.333 36 I C -0.107 176.116 176.117 0.178 0.000 1.302 36 I CA -0.316 61.063 61.300 0.132 0.000 1.122 36 I CB 0.257 38.369 38.000 0.187 0.000 1.013 36 I HN 0.116 nan 8.210 nan 0.000 0.405 37 L N 2.477 123.774 121.223 0.124 0.000 2.277 37 L HA 0.480 4.820 4.340 0.001 0.000 0.284 37 L C 0.004 176.938 176.870 0.107 0.000 1.028 37 L CA -0.343 54.575 54.840 0.129 0.000 0.835 37 L CB 0.935 43.023 42.059 0.049 0.000 1.215 37 L HN 0.099 nan 8.230 nan 0.000 0.425 38 E N 3.707 123.988 120.200 0.135 0.000 2.376 38 E HA 0.086 4.436 4.350 0.001 0.000 0.266 38 E C -0.013 176.669 176.600 0.136 0.000 1.009 38 E CA 0.774 57.246 56.400 0.120 0.000 0.902 38 E CB 0.825 30.601 29.700 0.127 0.000 0.972 38 E HN 0.603 nan 8.360 nan 0.000 0.439 39 K N 1.944 122.400 120.400 0.093 0.000 2.438 39 K HA 0.135 4.455 4.320 0.001 0.000 0.206 39 K C -0.440 176.202 176.600 0.069 0.000 1.081 39 K CA 0.048 56.389 56.287 0.089 0.000 1.053 39 K CB 1.084 33.615 32.500 0.051 0.000 0.908 39 K HN 0.466 nan 8.250 nan 0.000 0.556 40 T N 0.618 115.198 114.554 0.044 0.000 2.876 40 T HA 0.340 4.690 4.350 0.001 0.000 0.289 40 T C -1.569 173.129 174.700 -0.004 0.000 1.014 40 T CA -0.755 61.324 62.100 -0.036 0.000 0.986 40 T CB 0.809 69.641 68.868 -0.060 0.000 1.021 40 T HN 0.313 nan 8.240 nan 0.000 0.458 41 H N 2.318 121.389 119.070 0.002 0.000 2.679 41 H HA 0.573 5.129 4.556 0.001 0.000 0.367 41 H C 1.152 176.469 175.328 -0.019 0.000 1.162 41 H CA -0.997 55.039 56.048 -0.019 0.000 1.181 41 H CB 0.722 30.466 29.762 -0.029 0.000 1.693 41 H HN 0.383 nan 8.280 nan 0.000 0.538 42 N N 1.535 120.317 118.700 0.137 0.000 2.089 42 N HA -0.248 4.493 4.740 0.001 0.000 0.198 42 N C 1.500 177.080 175.510 0.116 0.000 1.017 42 N CA 3.027 56.126 53.050 0.083 0.000 0.880 42 N CB -0.508 38.009 38.487 0.050 0.000 1.042 42 N HN 1.102 nan 8.380 nan 0.000 0.446 43 G N -0.478 108.473 108.800 0.251 0.000 2.213 43 G HA2 -0.250 3.711 3.960 0.001 0.000 0.226 43 G HA3 -0.250 3.711 3.960 0.001 0.000 0.226 43 G C -0.117 174.830 174.900 0.077 0.000 0.992 43 G CA 0.695 45.920 45.100 0.209 0.000 0.632 43 G HN 0.695 nan 8.290 nan 0.000 0.511 44 K N -0.058 120.368 120.400 0.042 0.000 2.395 44 K HA 0.833 5.154 4.320 0.001 0.000 0.247 44 K C -0.854 175.744 176.600 -0.004 0.000 0.973 44 K CA -1.255 55.039 56.287 0.011 0.000 0.828 44 K CB 2.111 34.618 32.500 0.013 0.000 1.272 44 K HN 0.074 nan 8.250 nan 0.000 0.439 45 L N 1.417 122.640 121.223 -0.001 0.000 2.292 45 L HA 0.411 4.752 4.340 0.001 0.000 0.284 45 L C -0.512 176.391 176.870 0.054 0.000 1.065 45 L CA -0.084 54.772 54.840 0.027 0.000 0.806 45 L CB 1.094 43.176 42.059 0.039 0.000 1.175 45 L HN 0.770 nan 8.230 nan 0.000 0.431 46 c N 0.335 118.992 118.600 0.095 0.000 3.336 46 c HA 0.501 5.072 4.570 0.001 0.000 0.352 46 c C -0.066 174.113 174.090 0.149 0.000 1.567 46 c CA -1.601 54.776 56.329 0.081 0.000 1.328 46 c CB 1.943 44.477 42.510 0.040 0.000 1.922 46 c HN 0.716 nan 8.230 nan 0.000 0.439 47 K N 0.316 120.775 120.400 0.098 0.000 2.336 47 K HA 0.405 4.726 4.320 0.001 0.000 0.262 47 K C -0.940 175.741 176.600 0.136 0.000 0.992 47 K CA -0.093 56.266 56.287 0.121 0.000 0.927 47 K CB 0.260 32.799 32.500 0.065 0.000 0.956 47 K HN 0.454 nan 8.250 nan 0.000 0.495 48 L N 3.177 124.500 121.223 0.166 0.000 2.366 48 L HA 0.252 4.592 4.340 0.001 0.000 0.266 48 L C -1.183 175.738 176.870 0.085 0.000 1.010 48 L CA -0.046 54.859 54.840 0.108 0.000 0.879 48 L CB 0.211 42.347 42.059 0.129 0.000 1.228 48 L HN 0.642 nan 8.230 nan 0.000 0.439 49 N N 3.424 122.156 118.700 0.053 0.000 2.815 49 N HA -0.169 4.572 4.740 0.001 0.000 0.248 49 N C 0.924 176.459 175.510 0.041 0.000 1.110 49 N CA 1.332 54.407 53.050 0.043 0.000 0.699 49 N CB -1.509 37.007 38.487 0.047 0.000 1.040 49 N HN 1.078 nan 8.380 nan 0.000 0.555 50 G N -1.099 107.726 108.800 0.041 0.000 2.458 50 G HA2 -0.364 3.596 3.960 0.001 0.000 0.237 50 G HA3 -0.364 3.596 3.960 0.001 0.000 0.237 50 G C 0.193 175.119 174.900 0.043 0.000 1.113 50 G CA 0.366 45.487 45.100 0.035 0.000 0.655 50 G HN 0.430 nan 8.290 nan 0.000 0.513 51 I N 3.584 124.186 120.570 0.052 0.000 2.662 51 I HA 0.220 4.391 4.170 0.001 0.000 0.285 51 I C -1.614 174.548 176.117 0.075 0.000 1.161 51 I CA -1.790 59.546 61.300 0.060 0.000 1.415 51 I CB 0.005 38.043 38.000 0.064 0.000 1.385 51 I HN 0.042 nan 8.210 nan 0.000 0.552 52 P HA 0.340 nan 4.420 nan 0.000 0.275 52 P C -2.547 174.704 177.300 -0.081 0.000 1.266 52 P CA -1.143 61.953 63.100 -0.006 0.000 0.793 52 P CB 0.003 31.689 31.700 -0.024 0.000 1.074 53 P HA 0.303 nan 4.420 nan 0.000 0.301 53 P C -1.170 175.860 177.300 -0.451 0.000 1.309 53 P CA -0.424 62.272 63.100 -0.673 0.000 0.782 53 P CB 0.373 31.202 31.700 -1.452 0.000 1.282 54 L N 0.173 121.012 121.223 -0.641 0.000 2.277 54 L HA 0.327 4.668 4.340 0.001 0.000 0.284 54 L C -0.092 176.389 176.870 -0.649 0.000 1.028 54 L CA -0.156 54.237 54.840 -0.745 0.000 0.835 54 L CB -0.448 40.788 42.059 -1.372 0.000 1.215 54 L HN 0.212 nan 8.230 nan 0.000 0.425 55 E N 4.958 124.870 120.200 -0.479 0.000 2.299 55 E HA 0.097 4.448 4.350 0.001 0.000 0.272 55 E C 0.322 176.675 176.600 -0.413 0.000 1.043 55 E CA 0.042 56.215 56.400 -0.378 0.000 0.895 55 E CB 1.068 30.610 29.700 -0.262 0.000 1.011 55 E HN 0.747 nan 8.360 nan 0.000 0.432 56 L N 2.751 123.749 121.223 -0.375 0.000 2.664 56 L HA 0.150 4.490 4.340 0.001 0.000 0.233 56 L C 1.342 178.080 176.870 -0.219 0.000 1.113 56 L CA 0.246 54.875 54.840 -0.352 0.000 0.896 56 L CB -0.197 41.647 42.059 -0.358 0.000 1.163 56 L HN 0.836 nan 8.230 nan 0.000 0.497 57 G N 2.381 111.071 108.800 -0.183 0.000 2.614 57 G HA2 -0.411 3.549 3.960 0.001 0.000 0.303 57 G HA3 -0.411 3.549 3.960 0.001 0.000 0.303 57 G C 0.196 175.034 174.900 -0.104 0.000 1.270 57 G CA 0.648 45.673 45.100 -0.125 0.000 0.988 57 G HN 0.539 nan 8.290 nan 0.000 0.551 58 D N 0.189 120.542 120.400 -0.077 0.000 2.434 58 D HA 0.343 4.984 4.640 0.001 0.000 0.232 58 D C 0.718 176.987 176.300 -0.051 0.000 1.166 58 D CA 0.000 53.966 54.000 -0.058 0.000 0.830 58 D CB -0.573 40.202 40.800 -0.041 0.000 0.960 58 D HN 0.517 nan 8.370 nan 0.000 0.497 59 c N 0.366 118.925 118.600 -0.069 0.000 2.335 59 c HA 0.767 5.338 4.570 0.001 0.000 0.363 59 c C 0.639 174.698 174.090 -0.053 0.000 1.198 59 c CA -0.572 55.728 56.329 -0.048 0.000 2.279 59 c CB 1.261 43.742 42.510 -0.049 0.000 2.334 59 c HN 0.502 nan 8.230 nan 0.000 0.559 60 S N 0.998 116.690 115.700 -0.013 0.000 2.648 60 S HA 0.519 4.989 4.470 0.001 0.000 0.305 60 S C 0.845 175.470 174.600 0.042 0.000 1.094 60 S CA -0.626 57.575 58.200 0.002 0.000 0.983 60 S CB 0.618 63.835 63.200 0.028 0.000 1.101 60 S HN 0.612 nan 8.310 nan 0.000 0.514 61 I N 1.192 121.795 120.570 0.055 0.000 2.264 61 I HA -0.196 3.975 4.170 0.001 0.000 0.248 61 I C 2.782 178.930 176.117 0.052 0.000 1.111 61 I CA 1.761 63.123 61.300 0.104 0.000 1.382 61 I CB -1.156 36.835 38.000 -0.016 0.000 1.060 61 I HN 0.881 nan 8.210 nan 0.000 0.418 62 A N 1.042 123.851 122.820 -0.017 0.000 1.873 62 A HA -0.101 4.219 4.320 0.001 0.000 0.215 62 A C 2.483 179.977 177.584 -0.149 0.000 1.186 62 A CA 1.784 53.692 52.037 -0.215 0.000 0.616 62 A CB -1.360 17.389 19.000 -0.420 0.000 0.823 62 A HN 0.428 nan 8.150 nan 0.000 0.442 63 G N -1.202 107.567 108.800 -0.051 0.000 2.476 63 G HA2 -0.325 3.636 3.960 0.001 0.000 0.218 63 G HA3 -0.325 3.636 3.960 0.001 0.000 0.218 63 G C 1.388 176.329 174.900 0.070 0.000 1.164 63 G CA 1.328 46.438 45.100 0.017 0.000 0.768 63 G HN 0.718 nan 8.290 nan 0.000 0.560 64 W N 1.306 122.536 121.300 -0.116 0.000 2.354 64 W HA 0.032 4.693 4.660 0.001 0.000 0.315 64 W C 2.268 178.738 176.519 -0.081 0.000 1.206 64 W CA 1.334 58.613 57.345 -0.110 0.000 1.290 64 W CB -0.686 28.669 29.460 -0.174 0.000 1.152 64 W HN 0.131 nan 8.180 nan 0.000 0.489 65 L N 0.254 121.196 121.223 -0.467 0.000 2.156 65 L HA -0.164 4.177 4.340 0.001 0.000 0.208 65 L C 2.502 179.210 176.870 -0.271 0.000 1.095 65 L CA 0.835 55.266 54.840 -0.682 0.000 0.770 65 L CB -0.755 40.863 42.059 -0.734 0.000 0.914 65 L HN 0.071 nan 8.230 nan 0.000 0.439 66 L N -0.547 120.499 121.223 -0.294 0.000 2.179 66 L HA 0.052 4.393 4.340 0.001 0.000 0.208 66 L C 1.416 178.217 176.870 -0.115 0.000 1.096 66 L CA 0.906 55.506 54.840 -0.400 0.000 0.779 66 L CB -0.438 41.009 42.059 -1.020 0.000 0.922 66 L HN 0.507 nan 8.230 nan 0.000 0.443 67 G N 0.609 109.406 108.800 -0.005 0.000 2.141 67 G HA2 -0.252 3.708 3.960 0.001 0.000 0.195 67 G HA3 -0.252 3.708 3.960 0.001 0.000 0.195 67 G C 0.106 175.105 174.900 0.164 0.000 1.012 67 G CA 0.017 45.169 45.100 0.085 0.000 0.696 67 G HN 0.363 nan 8.290 nan 0.000 0.508 68 N N 0.733 119.592 118.700 0.266 0.000 2.036 68 N HA 0.018 4.759 4.740 0.001 0.000 0.288 68 N C -0.478 175.057 175.510 0.042 0.000 1.293 68 N CA -0.231 52.920 53.050 0.170 0.000 0.808 68 N CB 0.835 39.425 38.487 0.172 0.000 1.040 68 N HN 0.148 nan 8.380 nan 0.000 0.489 69 P HA -0.096 nan 4.420 nan 0.000 0.222 69 P C 0.522 177.789 177.300 -0.056 0.000 1.142 69 P CA 1.084 64.156 63.100 -0.046 0.000 0.788 69 P CB 0.304 31.955 31.700 -0.082 0.000 0.767 70 E N -2.046 118.130 120.200 -0.040 0.000 2.442 70 E HA -0.016 4.335 4.350 0.001 0.000 0.195 70 E C 0.879 177.468 176.600 -0.018 0.000 1.030 70 E CA 0.447 56.822 56.400 -0.043 0.000 0.869 70 E CB -0.608 29.071 29.700 -0.035 0.000 0.857 70 E HN 0.168 nan 8.360 nan 0.000 0.505 71 c N 0.874 119.481 118.600 0.012 0.000 2.906 71 c HA 0.156 4.727 4.570 0.001 0.000 0.274 71 c C 1.416 175.535 174.090 0.048 0.000 1.257 71 c CA -0.728 55.623 56.329 0.036 0.000 1.695 71 c CB -0.483 42.080 42.510 0.088 0.000 1.958 71 c HN 0.365 nan 8.230 nan 0.000 0.619 72 D N 2.315 122.729 120.400 0.024 0.000 2.133 72 D HA -0.128 4.512 4.640 0.001 0.000 0.192 72 D C 1.564 177.881 176.300 0.029 0.000 1.001 72 D CA 1.144 55.160 54.000 0.027 0.000 0.844 72 D CB -0.265 40.537 40.800 0.003 0.000 0.944 72 D HN 0.531 nan 8.370 nan 0.000 0.447 73 R N 1.195 121.700 120.500 0.008 0.000 4.559 73 R HA 0.180 4.520 4.340 0.001 0.000 0.177 73 R C -0.114 176.179 176.300 -0.012 0.000 1.875 73 R CA 0.103 56.204 56.100 0.002 0.000 1.509 73 R CB -0.833 29.463 30.300 -0.007 0.000 1.395 73 R HN 0.232 nan 8.270 nan 0.000 0.830 74 L N 1.082 122.308 121.223 0.004 0.000 2.362 74 L HA 0.596 4.936 4.340 0.001 0.000 0.271 74 L C -0.220 176.645 176.870 -0.008 0.000 1.002 74 L CA -0.886 53.935 54.840 -0.031 0.000 0.818 74 L CB 2.088 44.125 42.059 -0.037 0.000 1.298 74 L HN 0.260 nan 8.230 nan 0.000 0.420 75 L N 1.221 122.414 121.223 -0.050 0.000 2.280 75 L HA 0.687 5.027 4.340 0.001 0.000 0.287 75 L C 0.455 177.309 176.870 -0.027 0.000 1.023 75 L CA -0.543 54.288 54.840 -0.015 0.000 0.819 75 L CB 0.932 42.977 42.059 -0.024 0.000 1.212 75 L HN 0.683 nan 8.230 nan 0.000 0.420 76 T N 1.001 115.600 114.554 0.074 0.000 3.253 76 T HA 0.457 4.807 4.350 0.001 0.000 0.391 76 T C 0.084 174.929 174.700 0.240 0.000 1.527 76 T CA -0.324 61.868 62.100 0.153 0.000 1.268 76 T CB 0.284 69.368 68.868 0.360 0.000 1.126 76 T HN 1.523 nan 8.240 nan 0.000 0.620 77 V N 4.978 125.002 119.914 0.184 0.000 2.555 77 V HA 0.095 4.216 4.120 0.001 0.000 0.299 77 V C -1.231 175.061 176.094 0.329 0.000 1.012 77 V CA -1.080 61.344 62.300 0.207 0.000 1.180 77 V CB 0.623 32.534 31.823 0.148 0.000 0.887 77 V HN 0.495 nan 8.190 nan 0.000 0.476 78 P HA -0.136 nan 4.420 nan 0.000 0.221 78 P C 0.148 177.521 177.300 0.120 0.000 1.141 78 P CA 1.262 64.538 63.100 0.292 0.000 0.794 78 P CB 0.199 32.093 31.700 0.322 0.000 0.764 79 E N -0.437 119.810 120.200 0.078 0.000 2.246 79 E HA 0.347 4.697 4.350 0.001 0.000 0.266 79 E C -1.359 175.247 176.600 0.011 0.000 0.880 79 E CA -1.053 55.279 56.400 -0.114 0.000 0.762 79 E CB 1.059 30.736 29.700 -0.038 0.000 1.180 79 E HN -0.041 nan 8.360 nan 0.000 0.416 80 W N 2.748 124.032 121.300 -0.026 0.000 2.902 80 W HA 0.522 5.182 4.660 0.001 0.000 0.346 80 W C 0.422 176.914 176.519 -0.045 0.000 1.139 80 W CA -0.429 56.866 57.345 -0.083 0.000 1.139 80 W CB 0.438 29.791 29.460 -0.179 0.000 1.439 80 W HN 0.323 nan 8.180 nan 0.000 0.558 81 S N -0.024 115.821 115.700 0.241 0.000 2.460 81 S HA 0.253 4.724 4.470 0.001 0.000 0.226 81 S C 0.046 174.868 174.600 0.370 0.000 1.057 81 S CA 0.707 59.051 58.200 0.239 0.000 0.948 81 S CB -0.645 62.709 63.200 0.257 0.000 0.822 81 S HN 0.774 nan 8.310 nan 0.000 0.512 82 Y N -0.560 119.832 120.300 0.153 0.000 2.638 82 Y HA 0.830 5.380 4.550 0.001 0.000 0.339 82 Y C -1.215 174.636 175.900 -0.081 0.000 1.084 82 Y CA -1.864 56.275 58.100 0.065 0.000 1.068 82 Y CB 1.031 39.483 38.460 -0.013 0.000 1.294 82 Y HN -0.003 nan 8.280 nan 0.000 0.480 83 I N 2.955 123.444 120.570 -0.135 0.000 2.433 83 I HA 0.372 4.543 4.170 0.001 0.000 0.292 83 I C -0.828 175.137 176.117 -0.254 0.000 1.001 83 I CA -0.999 60.054 61.300 -0.410 0.000 1.119 83 I CB 1.956 39.674 38.000 -0.470 0.000 1.289 83 I HN 0.577 nan 8.210 nan 0.000 0.438 84 M N 6.111 125.508 119.600 -0.338 0.000 2.061 84 M HA 0.368 4.848 4.480 0.001 0.000 0.346 84 M C -0.450 175.718 176.300 -0.220 0.000 1.112 84 M CA -0.097 55.081 55.300 -0.204 0.000 1.021 84 M CB 1.029 33.510 32.600 -0.199 0.000 1.530 84 M HN 0.479 nan 8.290 nan 0.000 0.437 85 E N 2.715 122.816 120.200 -0.165 0.000 2.210 85 E HA 0.358 4.708 4.350 0.001 0.000 0.266 85 E C -0.961 175.576 176.600 -0.106 0.000 0.883 85 E CA -0.744 55.564 56.400 -0.154 0.000 0.761 85 E CB 1.835 31.444 29.700 -0.153 0.000 1.156 85 E HN 0.421 nan 8.360 nan 0.000 0.412 86 K N 1.657 122.002 120.400 -0.092 0.000 2.285 86 K HA -0.109 4.211 4.320 0.001 0.000 0.255 86 K C 0.894 177.464 176.600 -0.049 0.000 1.000 86 K CA 0.354 56.602 56.287 -0.065 0.000 0.887 86 K CB 0.417 32.885 32.500 -0.054 0.000 0.997 86 K HN 0.446 nan 8.250 nan 0.000 0.510 87 E N 0.845 121.024 120.200 -0.035 0.000 2.028 87 E HA -0.109 4.241 4.350 0.001 0.000 0.191 87 E C -0.485 176.108 176.600 -0.012 0.000 0.988 87 E CA 1.574 57.961 56.400 -0.021 0.000 0.799 87 E CB 0.114 29.806 29.700 -0.012 0.000 0.755 87 E HN 0.499 nan 8.360 nan 0.000 0.447 88 N N 0.902 119.596 118.700 -0.010 0.000 2.746 88 N HA 0.294 5.034 4.740 0.001 0.000 0.250 88 N C -2.706 172.800 175.510 -0.007 0.000 1.146 88 N CA -1.204 51.845 53.050 -0.001 0.000 0.828 88 N CB 1.611 40.101 38.487 0.004 0.000 1.158 88 N HN 0.015 nan 8.380 nan 0.000 0.519 89 P HA 0.120 nan 4.420 nan 0.000 0.267 89 P C 0.605 177.901 177.300 -0.006 0.000 1.200 89 P CA -0.143 62.948 63.100 -0.016 0.000 0.772 89 P CB 1.281 32.971 31.700 -0.017 0.000 0.855 90 R N 1.098 121.593 120.500 -0.010 0.000 2.075 90 R HA 0.001 4.342 4.340 0.001 0.000 0.226 90 R C 0.183 176.484 176.300 0.002 0.000 1.114 90 R CA 0.974 57.072 56.100 -0.004 0.000 0.972 90 R CB -0.323 29.973 30.300 -0.008 0.000 0.869 90 R HN 0.549 nan 8.270 nan 0.000 0.437 91 N N 0.877 119.577 118.700 0.000 0.000 2.918 91 N HA 0.134 4.874 4.740 0.001 0.000 0.247 91 N C -0.190 175.335 175.510 0.025 0.000 1.117 91 N CA -0.597 52.460 53.050 0.011 0.000 1.005 91 N CB 1.501 39.990 38.487 0.003 0.000 1.297 91 N HN 0.194 nan 8.380 nan 0.000 0.513 92 G N 0.634 109.454 108.800 0.033 0.000 3.434 92 G HA2 0.282 4.242 3.960 0.001 0.000 0.192 92 G HA3 0.282 4.242 3.960 0.001 0.000 0.192 92 G C -0.023 174.921 174.900 0.073 0.000 1.704 92 G CA -0.576 44.541 45.100 0.028 0.000 0.936 92 G HN 0.280 nan 8.290 nan 0.000 0.623 93 L N 2.334 123.600 121.223 0.072 0.000 2.515 93 L HA 0.095 4.435 4.340 0.001 0.000 0.281 93 L C 1.949 178.971 176.870 0.253 0.000 1.131 93 L CA -0.798 54.164 54.840 0.204 0.000 0.905 93 L CB 0.400 42.559 42.059 0.167 0.000 1.246 93 L HN 0.682 nan 8.230 nan 0.000 0.463 94 c N 1.809 120.573 118.600 0.273 0.000 2.453 94 c HA -0.157 4.414 4.570 0.001 0.000 0.277 94 c C 1.295 175.441 174.090 0.094 0.000 1.262 94 c CA -0.192 56.184 56.329 0.079 0.000 1.718 94 c CB -0.864 41.606 42.510 -0.066 0.000 2.031 94 c HN 0.627 nan 8.230 nan 0.000 0.480 95 Y N 4.150 124.474 120.300 0.039 0.000 2.402 95 Y HA 0.411 4.962 4.550 0.001 0.000 0.333 95 Y C -2.163 173.879 175.900 0.236 0.000 1.076 95 Y CA -2.230 55.958 58.100 0.147 0.000 1.299 95 Y CB 0.264 38.831 38.460 0.179 0.000 1.197 95 Y HN 0.187 nan 8.280 nan 0.000 0.517 96 P HA 0.273 nan 4.420 nan 0.000 0.268 96 P C -0.077 177.379 177.300 0.261 0.000 1.208 96 P CA 0.659 63.811 63.100 0.087 0.000 0.777 96 P CB 0.853 32.514 31.700 -0.065 0.000 0.875 97 G N -0.120 108.797 108.800 0.195 0.000 2.441 97 G HA2 0.439 4.400 3.960 0.001 0.000 0.222 97 G HA3 0.439 4.400 3.960 0.001 0.000 0.222 97 G C -1.363 173.623 174.900 0.144 0.000 1.254 97 G CA 0.061 45.274 45.100 0.188 0.000 0.959 97 G HN 0.725 nan 8.290 nan 0.000 0.474 98 S N -1.351 114.433 115.700 0.140 0.000 2.618 98 S HA 0.819 5.289 4.470 0.001 0.000 0.277 98 S C -1.810 172.884 174.600 0.157 0.000 1.138 98 S CA -0.701 57.573 58.200 0.123 0.000 0.844 98 S CB 2.541 65.794 63.200 0.088 0.000 1.127 98 S HN 1.470 nan 8.310 nan 0.000 0.474 99 F N 1.862 121.803 119.950 -0.016 0.000 2.507 99 F HA 0.544 5.071 4.527 0.001 0.000 0.328 99 F C -0.647 175.199 175.800 0.076 0.000 1.136 99 F CA -1.003 56.982 58.000 -0.026 0.000 0.930 99 F CB 1.650 40.451 39.000 -0.332 0.000 1.166 99 F HN 0.626 nan 8.300 nan 0.000 0.436 100 N N 4.737 123.673 118.700 0.394 0.000 2.472 100 N HA 0.149 4.890 4.740 0.001 0.000 0.277 100 N C -0.600 175.227 175.510 0.529 0.000 1.081 100 N CA 0.254 53.495 53.050 0.318 0.000 0.973 100 N CB 0.700 39.238 38.487 0.085 0.000 1.105 100 N HN 0.587 nan 8.380 nan 0.000 0.470 101 D N 1.066 121.703 120.400 0.394 0.000 2.699 101 D HA -0.252 4.389 4.640 0.001 0.000 0.239 101 D C 0.664 177.308 176.300 0.572 0.000 1.136 101 D CA 0.476 54.740 54.000 0.440 0.000 0.668 101 D CB -0.950 40.087 40.800 0.395 0.000 1.060 101 D HN 0.588 nan 8.370 nan 0.000 0.429 102 Y N 0.757 121.193 120.300 0.226 0.000 2.200 102 Y HA -0.146 4.404 4.550 0.001 0.000 0.290 102 Y C 2.023 177.837 175.900 -0.143 0.000 1.137 102 Y CA 2.129 60.182 58.100 -0.078 0.000 1.163 102 Y CB 0.085 38.466 38.460 -0.132 0.000 0.988 102 Y HN 0.017 nan 8.280 nan 0.000 0.518 103 E N 0.203 120.330 120.200 -0.121 0.000 2.051 103 E HA -0.161 4.190 4.350 0.001 0.000 0.192 103 E C 2.123 178.636 176.600 -0.144 0.000 0.991 103 E CA 1.471 57.724 56.400 -0.244 0.000 0.799 103 E CB -0.280 29.323 29.700 -0.163 0.000 0.748 103 E HN 0.383 nan 8.360 nan 0.000 0.449 104 E N 0.079 120.294 120.200 0.025 0.000 2.209 104 E HA -0.182 4.169 4.350 0.001 0.000 0.196 104 E C 2.022 178.688 176.600 0.111 0.000 0.993 104 E CA 0.599 57.078 56.400 0.132 0.000 0.819 104 E CB -0.109 29.758 29.700 0.279 0.000 0.745 104 E HN 0.174 nan 8.360 nan 0.000 0.477 105 L N 1.165 122.332 121.223 -0.092 0.000 2.068 105 L HA -0.073 4.268 4.340 0.001 0.000 0.204 105 L C 2.086 178.692 176.870 -0.439 0.000 1.076 105 L CA 1.665 56.145 54.840 -0.601 0.000 0.753 105 L CB -0.227 41.139 42.059 -1.154 0.000 0.910 105 L HN -0.146 nan 8.230 nan 0.000 0.439 106 K N -1.103 119.027 120.400 -0.450 0.000 2.044 106 K HA -0.275 4.046 4.320 0.001 0.000 0.210 106 K C 2.317 178.787 176.600 -0.217 0.000 1.049 106 K CA 1.891 57.938 56.287 -0.400 0.000 0.927 106 K CB -0.475 31.722 32.500 -0.504 0.000 0.713 106 K HN 0.509 nan 8.250 nan 0.000 0.443 107 H N 0.633 119.565 119.070 -0.229 0.000 2.290 107 H HA -0.163 4.393 4.556 0.001 0.000 0.298 107 H C 2.205 177.480 175.328 -0.088 0.000 1.087 107 H CA 1.904 57.869 56.048 -0.139 0.000 1.291 107 H CB -0.166 29.525 29.762 -0.119 0.000 1.369 107 H HN 0.115 nan 8.280 nan 0.000 0.492 108 L N 2.339 123.542 121.223 -0.034 0.000 1.997 108 L HA -0.198 4.143 4.340 0.001 0.000 0.216 108 L C 2.188 178.987 176.870 -0.118 0.000 1.074 108 L CA 2.133 56.941 54.840 -0.053 0.000 0.763 108 L CB -0.887 41.172 42.059 0.001 0.000 0.890 108 L HN 0.492 nan 8.230 nan 0.000 0.434 109 I N -3.129 117.355 120.570 -0.143 0.000 3.780 109 I HA 0.118 4.288 4.170 0.001 0.000 0.312 109 I C 1.687 177.799 176.117 -0.009 0.000 1.377 109 I CA 0.092 61.344 61.300 -0.079 0.000 1.224 109 I CB -0.572 37.360 38.000 -0.113 0.000 1.110 109 I HN 0.083 nan 8.210 nan 0.000 0.418 110 S N 1.592 117.241 115.700 -0.086 0.000 2.351 110 S HA -0.111 4.359 4.470 0.001 0.000 0.220 110 S C 1.081 175.750 174.600 0.115 0.000 1.035 110 S CA 1.774 59.950 58.200 -0.041 0.000 1.031 110 S CB -0.095 63.007 63.200 -0.164 0.000 0.928 110 S HN 0.848 nan 8.310 nan 0.000 0.433 111 S N 0.173 115.883 115.700 0.017 0.000 2.536 111 S HA 0.742 5.213 4.470 0.001 0.000 0.287 111 S C -0.638 173.818 174.600 -0.241 0.000 1.101 111 S CA -0.798 57.366 58.200 -0.059 0.000 0.950 111 S CB 2.061 65.236 63.200 -0.041 0.000 1.056 111 S HN 0.429 nan 8.310 nan 0.000 0.481 112 V N -1.908 117.663 119.914 -0.572 0.000 3.130 112 V HA 0.987 5.107 4.120 0.001 0.000 0.310 112 V C -0.428 175.412 176.094 -0.423 0.000 1.158 112 V CA -0.226 61.753 62.300 -0.535 0.000 1.029 112 V CB 1.498 32.822 31.823 -0.832 0.000 1.057 112 V HN 1.367 nan 8.190 nan 0.000 0.436 113 T N 1.723 116.156 114.554 -0.202 0.000 3.834 113 T HA 0.284 4.634 4.350 0.001 0.000 0.201 113 T C -0.709 174.033 174.700 0.070 0.000 0.626 113 T CA -0.018 62.038 62.100 -0.074 0.000 1.298 113 T CB -0.843 67.973 68.868 -0.087 0.000 1.064 113 T HN 1.683 nan 8.240 nan 0.000 0.564 114 H N 1.102 120.134 119.070 -0.063 0.000 3.247 114 H HA 0.844 5.401 4.556 0.001 0.000 0.262 114 H C -1.606 173.736 175.328 0.023 0.000 1.646 114 H CA -1.825 54.184 56.048 -0.066 0.000 1.600 114 H CB 0.763 30.512 29.762 -0.021 0.000 1.635 114 H HN 0.331 nan 8.280 nan 0.000 0.915 115 F N 0.551 120.171 119.950 -0.550 0.000 2.941 115 F HA 0.295 4.822 4.527 0.001 0.000 0.359 115 F C -1.106 174.555 175.800 -0.231 0.000 1.231 115 F CA -0.382 57.385 58.000 -0.389 0.000 1.089 115 F CB 1.160 40.036 39.000 -0.208 0.000 1.407 115 F HN 0.765 nan 8.300 nan 0.000 0.538 116 E N 5.856 125.687 120.200 -0.615 0.000 2.256 116 E HA 0.287 4.638 4.350 0.001 0.000 0.268 116 E C -1.512 174.912 176.600 -0.293 0.000 0.877 116 E CA -0.941 55.292 56.400 -0.279 0.000 0.757 116 E CB 1.764 31.392 29.700 -0.120 0.000 1.183 116 E HN 0.611 nan 8.360 nan 0.000 0.418 117 K N 3.231 123.514 120.400 -0.196 0.000 2.249 117 K HA 0.315 4.635 4.320 0.001 0.000 0.280 117 K C -0.685 175.816 176.600 -0.166 0.000 1.033 117 K CA -0.531 55.553 56.287 -0.339 0.000 0.946 117 K CB 1.068 33.344 32.500 -0.373 0.000 1.005 117 K HN 0.356 nan 8.250 nan 0.000 0.469 118 V N 0.968 120.781 119.914 -0.168 0.000 2.789 118 V HA 0.445 4.565 4.120 0.001 0.000 0.311 118 V C -0.900 175.158 176.094 -0.060 0.000 1.073 118 V CA -1.091 61.179 62.300 -0.050 0.000 0.921 118 V CB 1.672 33.456 31.823 -0.066 0.000 1.009 118 V HN 0.801 nan 8.190 nan 0.000 0.426 119 K N 3.410 123.758 120.400 -0.086 0.000 2.383 119 K HA 0.408 4.728 4.320 0.001 0.000 0.286 119 K C 0.708 177.162 176.600 -0.244 0.000 1.051 119 K CA 0.244 56.303 56.287 -0.381 0.000 0.974 119 K CB 0.841 33.123 32.500 -0.364 0.000 0.968 119 K HN 0.905 nan 8.250 nan 0.000 0.475 120 I N 1.773 122.162 120.570 -0.300 0.000 4.032 120 I HA 0.144 4.314 4.170 0.001 0.000 0.313 120 I C -0.064 176.025 176.117 -0.047 0.000 1.272 120 I CA -0.126 61.037 61.300 -0.228 0.000 1.307 120 I CB 0.471 38.070 38.000 -0.667 0.000 1.155 120 I HN 0.330 nan 8.210 nan 0.000 0.431 121 L N 3.438 124.596 121.223 -0.108 0.000 2.502 121 L HA 0.546 4.887 4.340 0.001 0.000 0.249 121 L C -2.553 174.242 176.870 -0.125 0.000 1.446 121 L CA -1.596 53.200 54.840 -0.073 0.000 0.887 121 L CB 0.753 42.849 42.059 0.063 0.000 1.126 121 L HN -0.113 nan 8.230 nan 0.000 0.509 122 P HA -0.122 nan 4.420 nan 0.000 0.261 122 P C 0.740 177.989 177.300 -0.085 0.000 1.158 122 P CA 0.506 63.516 63.100 -0.150 0.000 0.758 122 P CB 0.781 32.402 31.700 -0.131 0.000 0.763 123 K N 2.964 123.370 120.400 0.010 0.000 2.113 123 K HA -0.219 4.101 4.320 0.001 0.000 0.208 123 K C 0.841 177.544 176.600 0.172 0.000 1.047 123 K CA 2.108 58.489 56.287 0.157 0.000 0.928 123 K CB -0.166 32.418 32.500 0.139 0.000 0.716 123 K HN 0.550 nan 8.250 nan 0.000 0.446 124 D N -1.066 119.369 120.400 0.058 0.000 2.328 124 D HA -0.067 4.574 4.640 0.001 0.000 0.226 124 D C 1.250 177.545 176.300 -0.009 0.000 1.066 124 D CA 0.161 54.190 54.000 0.049 0.000 0.861 124 D CB 0.036 40.852 40.800 0.027 0.000 0.912 124 D HN 0.066 nan 8.370 nan 0.000 0.521 125 R N -0.386 120.040 120.500 -0.122 0.000 2.334 125 R HA 0.165 4.506 4.340 0.001 0.000 0.220 125 R C -0.314 175.806 176.300 -0.301 0.000 0.917 125 R CA -0.286 55.670 56.100 -0.240 0.000 1.073 125 R CB -0.017 30.074 30.300 -0.349 0.000 1.056 125 R HN 0.175 nan 8.270 nan 0.000 0.506 126 W N 0.712 122.020 121.300 0.013 0.000 1.919 126 W HA 0.133 4.793 4.660 0.001 0.000 0.347 126 W C 1.362 177.906 176.519 0.041 0.000 0.698 126 W CA -0.459 56.910 57.345 0.041 0.000 2.240 126 W CB 0.599 30.073 29.460 0.024 0.000 2.021 126 W HN 0.064 nan 8.180 nan 0.000 0.527 127 T N -3.083 111.564 114.554 0.155 0.000 2.803 127 T HA -0.278 4.073 4.350 0.001 0.000 0.269 127 T C 1.375 176.089 174.700 0.024 0.000 1.052 127 T CA 1.242 63.383 62.100 0.069 0.000 1.136 127 T CB 0.033 68.911 68.868 0.017 0.000 0.864 127 T HN 0.353 nan 8.240 nan 0.000 0.467 128 Q N 0.361 120.165 119.800 0.007 0.000 2.444 128 Q HA 0.143 4.483 4.340 0.001 0.000 0.206 128 Q C -0.292 175.386 176.000 -0.537 0.000 0.948 128 Q CA 0.376 56.039 55.803 -0.232 0.000 0.946 128 Q CB 0.093 28.661 28.738 -0.283 0.000 1.027 128 Q HN 0.767 nan 8.270 nan 0.000 0.513 129 H N -1.789 117.243 119.070 -0.063 0.000 2.928 129 H HA 0.274 4.830 4.556 0.001 0.000 0.371 129 H C -0.774 174.490 175.328 -0.106 0.000 1.186 129 H CA -0.744 55.200 56.048 -0.175 0.000 1.134 129 H CB 1.537 31.102 29.762 -0.329 0.000 1.824 129 H HN -0.180 nan 8.280 nan 0.000 0.554 130 T N 1.614 116.159 114.554 -0.015 0.000 2.794 130 T HA 0.253 4.603 4.350 0.001 0.000 0.296 130 T C 0.441 175.102 174.700 -0.064 0.000 0.949 130 T CA -0.397 61.671 62.100 -0.053 0.000 1.101 130 T CB 0.152 68.953 68.868 -0.111 0.000 0.905 130 T HN 0.738 nan 8.240 nan 0.000 0.516 131 T N -1.024 113.514 114.554 -0.027 0.000 3.438 131 T HA 0.363 4.714 4.350 0.001 0.000 0.244 131 T C 0.972 175.664 174.700 -0.013 0.000 1.269 131 T CA -0.527 61.566 62.100 -0.011 0.000 1.371 131 T CB -0.271 68.650 68.868 0.088 0.000 1.002 131 T HN 0.656 nan 8.240 nan 0.000 0.637 132 T N -3.377 111.126 114.554 -0.085 0.000 3.131 132 T HA 0.380 4.730 4.350 0.001 0.000 0.283 132 T C 1.207 175.821 174.700 -0.144 0.000 0.906 132 T CA 0.193 62.251 62.100 -0.070 0.000 0.882 132 T CB -0.246 68.587 68.868 -0.058 0.000 1.208 132 T HN 0.584 nan 8.240 nan 0.000 0.561 133 G N 0.633 109.246 108.800 -0.311 0.000 2.272 133 G HA2 0.479 4.440 3.960 0.001 0.000 0.247 133 G HA3 0.479 4.440 3.960 0.001 0.000 0.247 133 G C 0.395 175.114 174.900 -0.302 0.000 1.272 133 G CA 0.138 44.921 45.100 -0.529 0.000 0.921 133 G HN 0.638 nan 8.290 nan 0.000 0.495 134 G N -0.178 108.540 108.800 -0.137 0.000 3.212 134 G HA2 0.740 4.701 3.960 0.001 0.000 0.188 134 G HA3 0.740 4.701 3.960 0.001 0.000 0.188 134 G C -0.622 174.433 174.900 0.257 0.000 1.254 134 G CA 0.137 45.327 45.100 0.150 0.000 0.957 134 G HN 1.240 nan 8.290 nan 0.000 0.596 135 S N -2.744 113.131 115.700 0.291 0.000 2.597 135 S HA 0.273 4.743 4.470 0.001 0.000 0.274 135 S C 0.224 174.936 174.600 0.187 0.000 1.132 135 S CA -0.341 58.036 58.200 0.295 0.000 0.835 135 S CB 1.496 65.034 63.200 0.563 0.000 1.092 135 S HN 0.374 nan 8.310 nan 0.000 0.457 136 Q N 1.527 121.410 119.800 0.137 0.000 2.170 136 Q HA 0.085 4.425 4.340 0.001 0.000 0.203 136 Q C 2.045 178.083 176.000 0.064 0.000 0.976 136 Q CA 2.230 58.081 55.803 0.080 0.000 0.858 136 Q CB -0.725 28.047 28.738 0.057 0.000 0.907 136 Q HN 0.856 nan 8.270 nan 0.000 0.433 137 G N -0.729 108.119 108.800 0.081 0.000 2.469 137 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 137 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 137 G C 0.707 175.619 174.900 0.019 0.000 1.150 137 G CA 1.138 46.255 45.100 0.030 0.000 0.763 137 G HN 0.448 nan 8.290 nan 0.000 0.561 138 c N 1.887 120.514 118.600 0.045 0.000 2.361 138 c HA 0.759 5.330 4.570 0.001 0.000 0.336 138 c C 1.255 175.340 174.090 -0.008 0.000 1.406 138 c CA -1.191 55.112 56.329 -0.043 0.000 1.763 138 c CB -1.542 40.877 42.510 -0.152 0.000 2.761 138 c HN 0.599 nan 8.230 nan 0.000 0.566 139 A N 0.702 123.524 122.820 0.003 0.000 2.477 139 A HA 0.471 4.792 4.320 0.001 0.000 0.246 139 A C 0.915 178.475 177.584 -0.039 0.000 1.078 139 A CA 0.294 52.335 52.037 0.007 0.000 0.770 139 A CB 0.471 19.482 19.000 0.017 0.000 1.011 139 A HN 0.377 nan 8.150 nan 0.000 0.494 140 V N 1.348 121.240 119.914 -0.037 0.000 2.906 140 V HA 0.142 4.263 4.120 0.001 0.000 0.221 140 V C 0.598 176.593 176.094 -0.166 0.000 1.147 140 V CA 0.837 63.048 62.300 -0.149 0.000 1.235 140 V CB -0.447 31.313 31.823 -0.105 0.000 1.000 140 V HN 0.801 nan 8.190 nan 0.000 0.510 141 F N 0.877 120.841 119.950 0.024 0.000 2.850 141 F HA 0.406 4.933 4.527 0.001 0.000 0.329 141 F C -0.641 175.170 175.800 0.017 0.000 1.182 141 F CA -1.331 56.681 58.000 0.019 0.000 1.270 141 F CB -0.019 38.992 39.000 0.019 0.000 0.979 141 F HN 0.242 nan 8.300 nan 0.000 0.506 142 D N 0.149 120.666 120.400 0.194 0.000 2.432 142 D HA 0.229 4.870 4.640 0.001 0.000 0.265 142 D C -0.445 175.906 176.300 0.086 0.000 1.160 142 D CA -0.218 53.853 54.000 0.119 0.000 0.911 142 D CB 0.290 41.138 40.800 0.080 0.000 1.052 142 D HN 0.176 nan 8.370 nan 0.000 0.508 143 N N 1.532 120.286 118.700 0.089 0.000 2.430 143 N HA 0.413 5.154 4.740 0.001 0.000 0.298 143 N C -2.586 172.962 175.510 0.063 0.000 1.130 143 N CA -1.997 51.096 53.050 0.070 0.000 0.894 143 N CB 1.359 39.891 38.487 0.075 0.000 1.209 143 N HN -0.059 nan 8.380 nan 0.000 0.503 144 P HA -0.046 nan 4.420 nan 0.000 0.258 144 P C -0.695 176.660 177.300 0.091 0.000 1.172 144 P CA 0.773 63.918 63.100 0.075 0.000 0.762 144 P CB 0.567 32.298 31.700 0.051 0.000 0.764 145 S N 2.818 118.590 115.700 0.120 0.000 2.851 145 S HA 0.834 5.304 4.470 0.001 0.000 0.313 145 S C -1.591 173.164 174.600 0.258 0.000 1.163 145 S CA -0.428 57.859 58.200 0.145 0.000 0.850 145 S CB 0.631 63.877 63.200 0.077 0.000 1.245 145 S HN 0.213 nan 8.310 nan 0.000 0.558 146 F N 0.098 120.039 119.950 -0.014 0.000 2.745 146 F HA 0.587 5.115 4.527 0.001 0.000 0.316 146 F C -1.673 174.064 175.800 -0.106 0.000 1.155 146 F CA -1.527 56.425 58.000 -0.081 0.000 0.937 146 F CB 0.711 39.776 39.000 0.109 0.000 1.361 146 F HN 0.553 nan 8.300 nan 0.000 0.472 147 F N 4.477 124.067 119.950 -0.600 0.000 2.571 147 F HA 0.159 4.687 4.527 0.001 0.000 0.390 147 F C 1.656 177.416 175.800 -0.068 0.000 1.043 147 F CA -0.013 57.768 58.000 -0.365 0.000 1.164 147 F CB 0.095 38.761 39.000 -0.556 0.000 1.049 147 F HN 0.262 nan 8.300 nan 0.000 0.552 148 R N 1.947 122.531 120.500 0.140 0.000 2.154 148 R HA -0.208 4.133 4.340 0.001 0.000 0.248 148 R C 1.074 177.482 176.300 0.180 0.000 1.155 148 R CA 1.193 57.378 56.100 0.141 0.000 0.979 148 R CB -0.431 29.911 30.300 0.070 0.000 0.869 148 R HN 0.554 nan 8.270 nan 0.000 0.452 149 N N -0.415 118.380 118.700 0.158 0.000 2.336 149 N HA 0.062 4.803 4.740 0.001 0.000 0.189 149 N C 0.156 175.833 175.510 0.279 0.000 1.113 149 N CA 0.467 53.643 53.050 0.211 0.000 0.858 149 N CB 0.337 38.881 38.487 0.095 0.000 0.970 149 N HN 0.089 nan 8.380 nan 0.000 0.471 150 M N 0.180 119.949 119.600 0.281 0.000 2.664 150 M HA 0.423 4.903 4.480 0.001 0.000 0.314 150 M C -0.497 176.077 176.300 0.456 0.000 1.200 150 M CA -0.932 54.568 55.300 0.333 0.000 0.916 150 M CB 2.092 34.892 32.600 0.333 0.000 1.717 150 M HN -0.433 nan 8.290 nan 0.000 0.470 151 V N 1.597 121.722 119.914 0.351 0.000 2.409 151 V HA 0.254 4.374 4.120 0.001 0.000 0.290 151 V C -1.206 174.971 176.094 0.138 0.000 1.017 151 V CA -0.667 61.781 62.300 0.246 0.000 0.841 151 V CB 1.837 33.757 31.823 0.162 0.000 1.003 151 V HN 0.848 nan 8.190 nan 0.000 0.426 152 W N 7.178 128.360 121.300 -0.196 0.000 2.497 152 W HA 0.423 5.084 4.660 0.001 0.000 0.354 152 W C -0.368 175.979 176.519 -0.286 0.000 1.111 152 W CA -1.361 55.748 57.345 -0.393 0.000 1.510 152 W CB 0.358 29.296 29.460 -0.871 0.000 1.466 152 W HN 0.430 nan 8.180 nan 0.000 0.409 153 L N 7.287 128.585 121.223 0.125 0.000 2.361 153 L HA 0.186 4.526 4.340 0.001 0.000 0.278 153 L C 0.977 177.979 176.870 0.220 0.000 1.113 153 L CA 0.270 55.082 54.840 -0.047 0.000 0.849 153 L CB 0.088 41.920 42.059 -0.378 0.000 1.155 153 L HN 0.265 nan 8.230 nan 0.000 0.452 154 T N -0.071 114.501 114.554 0.030 0.000 2.930 154 T HA 0.387 4.737 4.350 0.001 0.000 0.290 154 T C -0.364 174.396 174.700 0.099 0.000 1.052 154 T CA -1.242 60.891 62.100 0.055 0.000 1.017 154 T CB 1.895 70.576 68.868 -0.312 0.000 1.137 154 T HN 0.563 nan 8.240 nan 0.000 0.511 155 K N 0.756 121.280 120.400 0.206 0.000 2.436 155 K HA 0.155 4.475 4.320 0.001 0.000 0.275 155 K C -0.272 176.309 176.600 -0.032 0.000 0.999 155 K CA -0.540 55.835 56.287 0.147 0.000 0.980 155 K CB 0.540 33.142 32.500 0.172 0.000 0.919 155 K HN 0.712 nan 8.250 nan 0.000 0.484 156 K N 2.683 123.029 120.400 -0.090 0.000 2.253 156 K HA 0.211 4.532 4.320 0.001 0.000 0.277 156 K C 0.667 177.222 176.600 -0.076 0.000 1.053 156 K CA 0.356 56.582 56.287 -0.102 0.000 0.892 156 K CB 0.695 33.107 32.500 -0.147 0.000 1.102 156 K HN 0.877 nan 8.250 nan 0.000 0.469 157 G N 2.901 111.662 108.800 -0.064 0.000 3.729 157 G HA2 -0.325 3.635 3.960 0.001 0.000 0.327 157 G HA3 -0.325 3.635 3.960 0.001 0.000 0.327 157 G C 0.337 175.212 174.900 -0.041 0.000 1.293 157 G CA 0.524 45.593 45.100 -0.051 0.000 1.011 157 G HN 0.615 nan 8.290 nan 0.000 0.673 158 S N 1.076 116.759 115.700 -0.030 0.000 2.828 158 S HA 0.392 4.862 4.470 0.001 0.000 0.240 158 S C -0.500 174.104 174.600 0.006 0.000 0.912 158 S CA -0.058 58.135 58.200 -0.012 0.000 1.100 158 S CB -0.089 63.105 63.200 -0.012 0.000 1.271 158 S HN 0.705 nan 8.310 nan 0.000 0.476 159 N N 0.722 119.422 118.700 0.000 0.000 2.480 159 N HA 0.263 5.003 4.740 0.001 0.000 0.289 159 N C -1.895 173.631 175.510 0.027 0.000 1.073 159 N CA -0.200 52.859 53.050 0.015 0.000 0.885 159 N CB 1.247 39.718 38.487 -0.027 0.000 1.421 159 N HN 0.300 nan 8.380 nan 0.000 0.503 160 Y N 5.112 125.422 120.300 0.017 0.000 2.804 160 Y HA 0.372 4.922 4.550 0.001 0.000 0.330 160 Y C -2.145 173.817 175.900 0.104 0.000 1.092 160 Y CA -1.605 56.553 58.100 0.098 0.000 1.315 160 Y CB 0.574 39.121 38.460 0.145 0.000 1.188 160 Y HN 0.464 nan 8.280 nan 0.000 0.512 161 P HA -0.019 nan 4.420 nan 0.000 0.272 161 P C -0.528 176.965 177.300 0.322 0.000 1.240 161 P CA -0.279 62.879 63.100 0.097 0.000 0.791 161 P CB 0.785 32.419 31.700 -0.109 0.000 0.978 162 V N 1.135 121.189 119.914 0.233 0.000 2.583 162 V HA 0.048 4.169 4.120 0.001 0.000 0.302 162 V C 0.835 177.096 176.094 0.279 0.000 1.033 162 V CA 0.596 63.032 62.300 0.226 0.000 1.194 162 V CB -0.783 31.144 31.823 0.173 0.000 0.879 162 V HN 0.664 nan 8.190 nan 0.000 0.482 163 A N 7.501 130.443 122.820 0.204 0.000 2.320 163 A HA 0.584 4.905 4.320 0.001 0.000 0.287 163 A C 0.146 177.886 177.584 0.259 0.000 1.181 163 A CA -0.428 51.683 52.037 0.124 0.000 0.831 163 A CB 0.276 19.089 19.000 -0.312 0.000 1.102 163 A HN 0.812 nan 8.150 nan 0.000 0.513 164 K N 1.778 122.434 120.400 0.427 0.000 2.507 164 K HA 0.593 4.913 4.320 0.001 0.000 0.251 164 K C -0.335 176.461 176.600 0.327 0.000 0.943 164 K CA -0.396 56.090 56.287 0.333 0.000 0.794 164 K CB 2.570 35.188 32.500 0.198 0.000 1.188 164 K HN 0.882 nan 8.250 nan 0.000 0.428 165 G N 0.428 109.443 108.800 0.359 0.000 2.660 165 G HA2 0.666 4.627 3.960 0.001 0.000 0.294 165 G HA3 0.666 4.627 3.960 0.001 0.000 0.294 165 G C -1.238 173.807 174.900 0.241 0.000 1.369 165 G CA -0.629 44.603 45.100 0.219 0.000 0.912 165 G HN 0.525 nan 8.290 nan 0.000 0.479 166 S N -0.902 114.894 115.700 0.160 0.000 2.552 166 S HA 0.705 5.176 4.470 0.001 0.000 0.272 166 S C -1.803 172.906 174.600 0.181 0.000 1.150 166 S CA -0.870 57.420 58.200 0.149 0.000 0.849 166 S CB 1.767 65.005 63.200 0.064 0.000 1.113 166 S HN 1.658 nan 8.310 nan 0.000 0.458 167 Y N 1.873 122.195 120.300 0.037 0.000 2.433 167 Y HA 0.619 5.169 4.550 0.001 0.000 0.337 167 Y C -1.385 174.530 175.900 0.025 0.000 1.026 167 Y CA -0.588 57.531 58.100 0.032 0.000 1.037 167 Y CB 1.680 40.174 38.460 0.057 0.000 1.245 167 Y HN 0.906 nan 8.280 nan 0.000 0.443 168 N N 4.281 122.594 118.700 -0.645 0.000 2.419 168 N HA 0.118 4.858 4.740 0.001 0.000 0.277 168 N C -1.140 173.937 175.510 -0.723 0.000 1.006 168 N CA -0.290 52.499 53.050 -0.435 0.000 0.923 168 N CB 0.973 39.330 38.487 -0.216 0.000 1.140 168 N HN 0.819 nan 8.380 nan 0.000 0.488 169 N N 2.006 120.580 118.700 -0.210 0.000 2.744 169 N HA -0.015 4.726 4.740 0.001 0.000 0.290 169 N C 0.357 175.787 175.510 -0.133 0.000 1.206 169 N CA 0.048 53.089 53.050 -0.015 0.000 1.119 169 N CB -0.073 38.468 38.487 0.090 0.000 1.449 169 N HN 0.482 nan 8.380 nan 0.000 0.514 170 T N -1.981 112.508 114.554 -0.108 0.000 3.244 170 T HA 0.027 4.377 4.350 0.001 0.000 0.254 170 T C 1.369 176.027 174.700 -0.070 0.000 1.024 170 T CA 0.049 62.172 62.100 0.038 0.000 0.920 170 T CB -0.359 68.619 68.868 0.183 0.000 1.042 170 T HN 0.276 nan 8.240 nan 0.000 0.572 171 S N 0.184 115.812 115.700 -0.120 0.000 2.527 171 S HA 0.404 4.875 4.470 0.001 0.000 0.222 171 S C 2.106 176.629 174.600 -0.128 0.000 0.985 171 S CA 0.394 58.566 58.200 -0.048 0.000 0.921 171 S CB -0.567 62.651 63.200 0.030 0.000 0.772 171 S HN 1.109 nan 8.310 nan 0.000 0.529 172 G N 0.033 108.624 108.800 -0.348 0.000 2.241 172 G HA2 -0.243 3.718 3.960 0.001 0.000 0.244 172 G HA3 -0.243 3.718 3.960 0.001 0.000 0.244 172 G C -0.090 174.675 174.900 -0.224 0.000 0.998 172 G CA 0.319 45.237 45.100 -0.304 0.000 0.621 172 G HN 0.710 nan 8.290 nan 0.000 0.519 173 E N 0.213 120.314 120.200 -0.164 0.000 2.367 173 E HA 0.617 4.968 4.350 0.001 0.000 0.273 173 E C 0.191 176.739 176.600 -0.086 0.000 0.903 173 E CA -0.641 55.701 56.400 -0.096 0.000 0.764 173 E CB 0.921 30.612 29.700 -0.015 0.000 1.252 173 E HN 0.362 nan 8.360 nan 0.000 0.446 174 Q N 1.545 121.315 119.800 -0.049 0.000 2.354 174 Q HA 0.064 4.404 4.340 0.001 0.000 0.310 174 Q C -0.381 175.632 176.000 0.021 0.000 1.104 174 Q CA 0.877 56.677 55.803 -0.005 0.000 0.968 174 Q CB 0.520 29.278 28.738 0.033 0.000 1.251 174 Q HN 0.492 nan 8.270 nan 0.000 0.411 175 M N 2.762 122.397 119.600 0.059 0.000 2.326 175 M HA 0.362 4.842 4.480 0.001 0.000 0.306 175 M C -1.781 174.611 176.300 0.153 0.000 1.054 175 M CA -1.088 54.255 55.300 0.071 0.000 0.922 175 M CB 1.261 33.886 32.600 0.041 0.000 1.632 175 M HN 0.580 nan 8.290 nan 0.000 0.436 176 L N 6.549 127.887 121.223 0.191 0.000 2.290 176 L HA 0.617 4.957 4.340 0.001 0.000 0.284 176 L C -1.574 175.499 176.870 0.339 0.000 1.078 176 L CA 0.238 55.250 54.840 0.286 0.000 0.815 176 L CB 0.590 42.795 42.059 0.243 0.000 1.162 176 L HN 0.675 nan 8.230 nan 0.000 0.435 177 I N 6.424 127.231 120.570 0.394 0.000 2.499 177 I HA 0.411 4.582 4.170 0.001 0.000 0.288 177 I C -0.711 175.723 176.117 0.528 0.000 1.048 177 I CA -0.494 61.060 61.300 0.424 0.000 1.062 177 I CB 1.865 40.100 38.000 0.392 0.000 1.238 177 I HN 0.510 nan 8.210 nan 0.000 0.426 178 I N 5.070 125.911 120.570 0.453 0.000 2.493 178 I HA 0.496 4.666 4.170 0.001 0.000 0.298 178 I C -1.044 175.321 176.117 0.413 0.000 0.998 178 I CA -0.540 60.956 61.300 0.326 0.000 1.137 178 I CB 1.687 39.781 38.000 0.158 0.000 1.310 178 I HN 0.655 nan 8.210 nan 0.000 0.445 179 W N 3.908 125.324 121.300 0.194 0.000 3.031 179 W HA 0.879 5.540 4.660 0.001 0.000 0.337 179 W C -0.837 175.695 176.519 0.020 0.000 1.187 179 W CA -1.024 56.383 57.345 0.105 0.000 1.166 179 W CB 0.834 30.387 29.460 0.155 0.000 1.437 179 W HN 0.550 nan 8.180 nan 0.000 0.551 180 G N 0.372 109.206 108.800 0.057 0.000 2.537 180 G HA2 0.695 4.655 3.960 0.001 0.000 0.308 180 G HA3 0.695 4.655 3.960 0.001 0.000 0.308 180 G C -2.212 172.520 174.900 -0.279 0.000 1.237 180 G CA -1.158 43.675 45.100 -0.445 0.000 0.968 180 G HN 0.684 nan 8.290 nan 0.000 0.481 181 V N 0.854 120.493 119.914 -0.459 0.000 2.569 181 V HA 0.288 4.409 4.120 0.001 0.000 0.301 181 V C -0.834 174.880 176.094 -0.634 0.000 1.044 181 V CA -0.787 61.261 62.300 -0.419 0.000 0.874 181 V CB 1.462 33.100 31.823 -0.308 0.000 1.002 181 V HN 0.977 nan 8.190 nan 0.000 0.424 182 H N 4.629 123.327 119.070 -0.620 0.000 2.548 182 H HA 0.483 5.039 4.556 0.001 0.000 0.331 182 H C -0.538 174.506 175.328 -0.473 0.000 1.093 182 H CA -0.186 55.564 56.048 -0.496 0.000 1.367 182 H CB 0.713 30.307 29.762 -0.280 0.000 1.455 182 H HN 0.675 nan 8.280 nan 0.000 0.519 183 H N 6.554 125.264 119.070 -0.599 0.000 2.718 183 H HA 0.234 4.791 4.556 0.001 0.000 0.295 183 H C -2.484 172.587 175.328 -0.428 0.000 1.051 183 H CA -2.127 53.702 56.048 -0.364 0.000 1.260 183 H CB 1.037 30.686 29.762 -0.189 0.000 1.403 183 H HN 0.646 nan 8.280 nan 0.000 0.488 184 P HA 0.149 nan 4.420 nan 0.000 0.276 184 P C 0.536 177.901 177.300 0.109 0.000 1.261 184 P CA -0.451 62.720 63.100 0.118 0.000 0.800 184 P CB 1.402 33.297 31.700 0.324 0.000 1.066 185 N N -0.343 118.437 118.700 0.134 0.000 2.216 185 N HA -0.074 4.667 4.740 0.001 0.000 0.183 185 N C -0.069 175.484 175.510 0.073 0.000 1.017 185 N CA 1.238 54.343 53.050 0.092 0.000 0.861 185 N CB -0.192 38.351 38.487 0.093 0.000 0.986 185 N HN 0.615 nan 8.380 nan 0.000 0.428 186 D N -2.134 118.315 120.400 0.082 0.000 2.626 186 D HA 0.216 4.857 4.640 0.001 0.000 0.278 186 D C 0.109 176.451 176.300 0.069 0.000 1.211 186 D CA -0.664 53.374 54.000 0.063 0.000 0.903 186 D CB 0.626 41.457 40.800 0.051 0.000 1.408 186 D HN -0.306 nan 8.370 nan 0.000 0.454 187 E N -0.358 119.874 120.200 0.054 0.000 2.153 187 E HA -0.174 4.176 4.350 0.001 0.000 0.194 187 E C 1.865 178.496 176.600 0.052 0.000 0.988 187 E CA 2.078 58.510 56.400 0.053 0.000 0.811 187 E CB -0.415 29.309 29.700 0.039 0.000 0.746 187 E HN 0.720 nan 8.360 nan 0.000 0.466 188 T N -0.971 113.609 114.554 0.043 0.000 2.851 188 T HA -0.110 4.241 4.350 0.001 0.000 0.262 188 T C 1.869 176.586 174.700 0.027 0.000 1.043 188 T CA 1.326 63.444 62.100 0.029 0.000 1.140 188 T CB 0.004 68.884 68.868 0.020 0.000 0.872 188 T HN 0.148 nan 8.240 nan 0.000 0.446 189 E N 0.280 120.508 120.200 0.047 0.000 2.130 189 E HA -0.291 4.060 4.350 0.001 0.000 0.196 189 E C 2.339 178.968 176.600 0.049 0.000 0.998 189 E CA 1.504 57.934 56.400 0.051 0.000 0.806 189 E CB -0.197 29.571 29.700 0.114 0.000 0.738 189 E HN 0.615 nan 8.360 nan 0.000 0.459 190 Q N 0.904 120.766 119.800 0.104 0.000 2.020 190 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 190 Q C 2.044 178.095 176.000 0.084 0.000 0.982 190 Q CA 1.977 57.877 55.803 0.162 0.000 0.838 190 Q CB -0.066 28.761 28.738 0.148 0.000 0.899 190 Q HN 0.208 nan 8.270 nan 0.000 0.423 191 R N -0.909 119.615 120.500 0.039 0.000 2.062 191 R HA -0.034 4.306 4.340 0.001 0.000 0.229 191 R C 2.393 178.670 176.300 -0.039 0.000 1.128 191 R CA 1.666 57.773 56.100 0.013 0.000 0.960 191 R CB -0.636 29.673 30.300 0.015 0.000 0.855 191 R HN 0.310 nan 8.270 nan 0.000 0.432 192 T N 1.703 116.222 114.554 -0.059 0.000 2.721 192 T HA -0.171 4.179 4.350 0.001 0.000 0.268 192 T C 1.822 176.407 174.700 -0.190 0.000 1.038 192 T CA 1.303 63.343 62.100 -0.100 0.000 1.145 192 T CB -0.088 68.725 68.868 -0.091 0.000 0.858 192 T HN 0.157 nan 8.240 nan 0.000 0.459 193 L N -1.704 119.328 121.223 -0.318 0.000 2.269 193 L HA 0.168 4.508 4.340 0.001 0.000 0.200 193 L C 1.269 177.760 176.870 -0.631 0.000 1.069 193 L CA 0.810 55.253 54.840 -0.663 0.000 0.804 193 L CB 0.133 41.496 42.059 -1.161 0.000 0.987 193 L HN 0.262 nan 8.230 nan 0.000 0.468 194 Y N -1.509 118.770 120.300 -0.035 0.000 2.641 194 Y HA 0.257 4.807 4.550 0.001 0.000 0.248 194 Y C 1.258 177.119 175.900 -0.066 0.000 1.170 194 Y CA -0.369 57.659 58.100 -0.119 0.000 1.201 194 Y CB 0.296 38.518 38.460 -0.397 0.000 1.232 194 Y HN 0.070 nan 8.280 nan 0.000 0.537 195 Q N 1.347 121.185 119.800 0.063 0.000 1.914 195 Q HA -0.312 4.029 4.340 0.001 0.000 0.217 195 Q C -0.478 175.553 176.000 0.051 0.000 2.819 195 Q CA 2.247 58.085 55.803 0.059 0.000 0.438 195 Q CB -1.471 27.324 28.738 0.095 0.000 0.787 195 Q HN 0.637 nan 8.270 nan 0.000 0.466 196 N N 1.257 119.986 118.700 0.049 0.000 2.488 196 N HA 0.433 5.174 4.740 0.001 0.000 0.274 196 N C -0.252 175.273 175.510 0.024 0.000 1.111 196 N CA 0.234 53.305 53.050 0.035 0.000 0.974 196 N CB 1.082 39.592 38.487 0.037 0.000 1.089 196 N HN 0.300 nan 8.380 nan 0.000 0.465 197 V N 0.607 120.541 119.914 0.034 0.000 3.264 197 V HA 0.468 4.588 4.120 0.001 0.000 0.304 197 V C 1.559 177.672 176.094 0.031 0.000 1.086 197 V CA 0.289 62.610 62.300 0.035 0.000 1.090 197 V CB 0.502 32.349 31.823 0.040 0.000 1.112 197 V HN 1.031 nan 8.190 nan 0.000 0.472 198 G N 1.460 110.280 108.800 0.034 0.000 2.198 198 G HA2 -0.067 3.893 3.960 0.001 0.000 0.260 198 G HA3 -0.067 3.893 3.960 0.001 0.000 0.260 198 G C 0.318 175.254 174.900 0.061 0.000 1.025 198 G CA 0.251 45.380 45.100 0.049 0.000 0.769 198 G HN 1.460 nan 8.290 nan 0.000 0.507 199 A N -0.498 122.318 122.820 -0.006 0.000 2.366 199 A HA 0.798 5.118 4.320 0.001 0.000 0.250 199 A C 0.033 177.608 177.584 -0.015 0.000 1.099 199 A CA 0.604 52.582 52.037 -0.098 0.000 0.794 199 A CB 0.451 19.291 19.000 -0.268 0.000 1.056 199 A HN 1.901 nan 8.150 nan 0.000 0.499 200 Y N -2.802 117.439 120.300 -0.099 0.000 2.597 200 Y HA 0.679 5.229 4.550 0.001 0.000 0.340 200 Y C -1.187 174.664 175.900 -0.082 0.000 1.097 200 Y CA -1.440 56.618 58.100 -0.070 0.000 1.037 200 Y CB 1.111 39.551 38.460 -0.032 0.000 1.305 200 Y HN 0.398 nan 8.280 nan 0.000 0.463 201 V N 2.774 122.771 119.914 0.138 0.000 2.483 201 V HA 0.624 4.744 4.120 0.001 0.000 0.297 201 V C -0.846 175.368 176.094 0.199 0.000 1.027 201 V CA -0.421 61.933 62.300 0.089 0.000 0.855 201 V CB 1.599 33.429 31.823 0.013 0.000 0.995 201 V HN 0.922 nan 8.190 nan 0.000 0.424 202 S N 4.306 120.127 115.700 0.202 0.000 2.659 202 S HA 0.807 5.277 4.470 0.001 0.000 0.312 202 S C -0.921 173.634 174.600 -0.075 0.000 1.114 202 S CA -0.640 57.610 58.200 0.084 0.000 1.063 202 S CB 1.570 64.833 63.200 0.105 0.000 0.996 202 S HN 0.384 nan 8.310 nan 0.000 0.478 203 V N 2.358 122.124 119.914 -0.248 0.000 2.732 203 V HA 0.945 5.066 4.120 0.001 0.000 0.310 203 V C 0.747 176.623 176.094 -0.363 0.000 1.053 203 V CA -0.287 61.686 62.300 -0.545 0.000 0.957 203 V CB 1.727 32.884 31.823 -1.110 0.000 1.018 203 V HN 1.192 nan 8.190 nan 0.000 0.452 204 G N 1.110 109.679 108.800 -0.385 0.000 2.753 204 G HA2 0.693 4.653 3.960 0.001 0.000 0.295 204 G HA3 0.693 4.653 3.960 0.001 0.000 0.295 204 G C -0.678 174.106 174.900 -0.193 0.000 1.437 204 G CA 0.187 45.154 45.100 -0.221 0.000 1.094 204 G HN 0.958 nan 8.290 nan 0.000 0.540 205 T N -2.064 112.420 114.554 -0.118 0.000 2.591 205 T HA 0.556 4.906 4.350 0.001 0.000 0.274 205 T C 1.350 176.030 174.700 -0.033 0.000 0.945 205 T CA 0.276 62.336 62.100 -0.067 0.000 1.087 205 T CB 1.102 69.945 68.868 -0.042 0.000 1.416 205 T HN 0.305 nan 8.240 nan 0.000 0.514 206 S N 0.509 116.205 115.700 -0.007 0.000 2.453 206 S HA 0.030 4.501 4.470 0.001 0.000 0.231 206 S C 1.865 176.466 174.600 0.003 0.000 1.005 206 S CA 1.380 59.581 58.200 0.003 0.000 0.949 206 S CB -0.575 62.637 63.200 0.020 0.000 0.774 206 S HN 0.984 nan 8.310 nan 0.000 0.510 207 T N -1.649 112.907 114.554 0.003 0.000 2.964 207 T HA 0.357 4.707 4.350 0.001 0.000 0.250 207 T C 0.182 174.880 174.700 -0.002 0.000 0.982 207 T CA -0.357 61.746 62.100 0.006 0.000 0.959 207 T CB -0.222 68.656 68.868 0.017 0.000 1.141 207 T HN 0.151 nan 8.240 nan 0.000 0.494 208 L N 2.739 123.956 121.223 -0.010 0.000 2.307 208 L HA 0.763 5.104 4.340 0.001 0.000 0.282 208 L C -1.016 175.833 176.870 -0.035 0.000 1.051 208 L CA -0.455 54.378 54.840 -0.012 0.000 0.804 208 L CB 1.324 43.380 42.059 -0.005 0.000 1.197 208 L HN 0.359 nan 8.230 nan 0.000 0.431 209 N N 3.598 122.286 118.700 -0.020 0.000 2.542 209 N HA 0.482 5.222 4.740 0.001 0.000 0.288 209 N C -1.777 173.728 175.510 -0.008 0.000 1.115 209 N CA -0.617 52.414 53.050 -0.032 0.000 0.924 209 N CB 0.941 39.412 38.487 -0.027 0.000 1.526 209 N HN 0.646 nan 8.380 nan 0.000 0.515 210 K N 2.510 122.903 120.400 -0.013 0.000 2.561 210 K HA 0.438 4.758 4.320 0.001 0.000 0.254 210 K C -1.732 174.883 176.600 0.025 0.000 0.942 210 K CA -0.693 55.613 56.287 0.032 0.000 0.818 210 K CB 1.454 34.021 32.500 0.112 0.000 1.306 210 K HN 0.546 nan 8.250 nan 0.000 0.435 211 R N 2.201 122.722 120.500 0.034 0.000 2.439 211 R HA 0.428 4.769 4.340 0.001 0.000 0.310 211 R C -1.367 174.980 176.300 0.077 0.000 0.955 211 R CA -0.377 55.749 56.100 0.044 0.000 0.853 211 R CB 1.931 32.217 30.300 -0.024 0.000 1.171 211 R HN 0.562 nan 8.270 nan 0.000 0.449 212 S N 4.315 120.085 115.700 0.117 0.000 2.501 212 S HA 0.552 5.022 4.470 0.001 0.000 0.301 212 S C -0.871 173.793 174.600 0.105 0.000 1.096 212 S CA -0.662 57.605 58.200 0.112 0.000 1.063 212 S CB 1.144 64.421 63.200 0.128 0.000 1.042 212 S HN 0.430 nan 8.310 nan 0.000 0.494 213 L N 3.347 124.626 121.223 0.093 0.000 2.346 213 L HA 0.487 4.827 4.340 0.001 0.000 0.276 213 L C -2.492 174.438 176.870 0.100 0.000 1.006 213 L CA -2.436 52.452 54.840 0.080 0.000 0.817 213 L CB 1.330 43.431 42.059 0.070 0.000 1.272 213 L HN 0.351 nan 8.230 nan 0.000 0.421 214 P HA 0.048 nan 4.420 nan 0.000 0.263 214 P C -1.004 176.417 177.300 0.202 0.000 1.195 214 P CA 0.090 63.290 63.100 0.167 0.000 0.762 214 P CB 0.365 32.089 31.700 0.040 0.000 0.799 215 E N 3.158 123.507 120.200 0.249 0.000 2.115 215 E HA 0.344 4.695 4.350 0.001 0.000 0.282 215 E C -0.120 176.459 176.600 -0.035 0.000 0.987 215 E CA -0.398 55.984 56.400 -0.029 0.000 0.797 215 E CB 0.798 30.365 29.700 -0.222 0.000 1.086 215 E HN 0.397 nan 8.360 nan 0.000 0.397 216 I N 2.379 122.954 120.570 0.009 0.000 2.460 216 I HA 0.681 4.852 4.170 0.001 0.000 0.298 216 I C -0.127 175.989 176.117 -0.001 0.000 0.989 216 I CA -0.594 60.720 61.300 0.023 0.000 1.173 216 I CB 1.680 39.711 38.000 0.052 0.000 1.338 216 I HN 0.533 nan 8.210 nan 0.000 0.456 217 A N 2.943 125.765 122.820 0.003 0.000 2.605 217 A HA 0.574 4.895 4.320 0.001 0.000 0.294 217 A C -0.746 176.845 177.584 0.011 0.000 1.062 217 A CA -0.606 51.431 52.037 0.000 0.000 0.682 217 A CB 1.248 20.237 19.000 -0.019 0.000 1.278 217 A HN 0.558 nan 8.150 nan 0.000 0.410 218 T N 2.680 117.241 114.554 0.012 0.000 2.738 218 T HA 0.451 4.801 4.350 0.001 0.000 0.293 218 T C 0.187 174.895 174.700 0.012 0.000 0.913 218 T CA 0.154 62.264 62.100 0.017 0.000 1.103 218 T CB -0.370 68.507 68.868 0.016 0.000 0.880 218 T HN 0.580 nan 8.240 nan 0.000 0.526 219 R N 2.990 123.500 120.500 0.016 0.000 2.832 219 R HA 0.608 4.949 4.340 0.001 0.000 0.271 219 R C -2.564 173.744 176.300 0.013 0.000 0.996 219 R CA -2.129 53.979 56.100 0.012 0.000 0.977 219 R CB 0.233 30.541 30.300 0.013 0.000 1.168 219 R HN 0.336 nan 8.270 nan 0.000 0.482 220 P HA 0.042 nan 4.420 nan 0.000 0.275 220 P C -0.908 176.394 177.300 0.004 0.000 1.270 220 P CA -0.426 62.678 63.100 0.007 0.000 0.791 220 P CB 0.468 32.172 31.700 0.005 0.000 1.089 221 E N -0.436 119.764 120.200 0.000 0.000 2.174 221 E HA 0.365 4.715 4.350 0.001 0.000 0.282 221 E C -1.060 175.530 176.600 -0.016 0.000 0.992 221 E CA -0.600 55.795 56.400 -0.008 0.000 0.803 221 E CB 1.021 30.719 29.700 -0.004 0.000 1.090 221 E HN 0.037 nan 8.360 nan 0.000 0.396 222 V N 4.379 124.272 119.914 -0.034 0.000 2.378 222 V HA 0.116 4.237 4.120 0.001 0.000 0.288 222 V C -0.284 175.772 176.094 -0.064 0.000 1.016 222 V CA -0.919 61.359 62.300 -0.037 0.000 0.840 222 V CB 1.095 32.900 31.823 -0.031 0.000 0.994 222 V HN 0.779 nan 8.190 nan 0.000 0.431 223 N N 3.773 122.448 118.700 -0.042 0.000 2.740 223 N HA -0.194 4.547 4.740 0.001 0.000 0.248 223 N C 1.166 176.646 175.510 -0.050 0.000 1.062 223 N CA 1.522 54.545 53.050 -0.045 0.000 0.704 223 N CB -1.190 37.260 38.487 -0.061 0.000 0.968 223 N HN 1.498 nan 8.380 nan 0.000 0.547 224 G N -1.900 106.880 108.800 -0.033 0.000 2.187 224 G HA2 -0.358 3.602 3.960 0.001 0.000 0.261 224 G HA3 -0.358 3.602 3.960 0.001 0.000 0.261 224 G C -0.255 174.629 174.900 -0.027 0.000 1.000 224 G CA 0.736 45.825 45.100 -0.018 0.000 0.718 224 G HN 0.465 nan 8.290 nan 0.000 0.519 225 Q N -1.029 118.726 119.800 -0.075 0.000 2.342 225 Q HA 0.630 4.971 4.340 0.001 0.000 0.267 225 Q C 1.070 177.037 176.000 -0.055 0.000 1.038 225 Q CA 0.016 55.759 55.803 -0.101 0.000 0.832 225 Q CB 1.557 30.081 28.738 -0.356 0.000 1.323 225 Q HN 0.330 nan 8.270 nan 0.000 0.448 226 G N 1.014 109.825 108.800 0.018 0.000 2.762 226 G HA2 0.151 4.111 3.960 0.001 0.000 0.209 226 G HA3 0.151 4.111 3.960 0.001 0.000 0.209 226 G C 0.627 175.573 174.900 0.076 0.000 1.134 226 G CA 0.384 45.508 45.100 0.041 0.000 0.781 226 G HN 0.599 nan 8.290 nan 0.000 0.528 227 G N -0.084 108.811 108.800 0.158 0.000 2.684 227 G HA2 0.492 4.453 3.960 0.001 0.000 0.255 227 G HA3 0.492 4.453 3.960 0.001 0.000 0.255 227 G C -0.465 174.575 174.900 0.234 0.000 1.219 227 G CA -0.411 44.837 45.100 0.247 0.000 0.901 227 G HN 0.167 nan 8.290 nan 0.000 0.548 228 R N -0.450 120.179 120.500 0.215 0.000 2.584 228 R HA 0.286 4.627 4.340 0.001 0.000 0.276 228 R C -0.885 175.506 176.300 0.151 0.000 1.046 228 R CA -0.612 55.636 56.100 0.247 0.000 0.906 228 R CB 1.939 32.328 30.300 0.149 0.000 1.215 228 R HN 0.524 nan 8.270 nan 0.000 0.449 229 M N 1.954 121.656 119.600 0.170 0.000 2.072 229 M HA 0.301 4.781 4.480 0.001 0.000 0.331 229 M C 0.073 176.161 176.300 -0.353 0.000 1.004 229 M CA -0.419 54.736 55.300 -0.242 0.000 0.952 229 M CB 1.957 34.339 32.600 -0.363 0.000 1.511 229 M HN 0.415 nan 8.290 nan 0.000 0.422 230 E N 4.362 124.331 120.200 -0.385 0.000 2.046 230 E HA 0.360 4.710 4.350 0.001 0.000 0.279 230 E C -1.546 174.744 176.600 -0.518 0.000 0.989 230 E CA -0.368 55.882 56.400 -0.249 0.000 0.798 230 E CB 0.700 30.416 29.700 0.027 0.000 1.086 230 E HN 0.432 nan 8.360 nan 0.000 0.399 231 F N 2.187 121.898 119.950 -0.399 0.000 2.379 231 F HA 0.371 4.898 4.527 0.001 0.000 0.332 231 F C 0.611 175.939 175.800 -0.787 0.000 1.096 231 F CA -0.296 57.287 58.000 -0.695 0.000 1.105 231 F CB 1.838 40.227 39.000 -1.018 0.000 1.189 231 F HN 0.294 nan 8.300 nan 0.000 0.515 232 S N 1.535 116.778 115.700 -0.761 0.000 2.661 232 S HA 0.603 5.074 4.470 0.001 0.000 0.285 232 S C -1.630 172.462 174.600 -0.847 0.000 1.138 232 S CA -0.809 56.916 58.200 -0.792 0.000 0.855 232 S CB 2.324 64.944 63.200 -0.966 0.000 1.136 232 S HN 0.714 nan 8.310 nan 0.000 0.484 233 W N -0.117 120.797 121.300 -0.642 0.000 3.075 233 W HA 0.792 5.453 4.660 0.001 0.000 0.334 233 W C -1.382 175.144 176.519 0.013 0.000 1.243 233 W CA -0.668 56.522 57.345 -0.258 0.000 1.170 233 W CB 0.856 30.351 29.460 0.059 0.000 1.452 233 W HN 0.693 nan 8.180 nan 0.000 0.572 234 T N 1.080 115.886 114.554 0.420 0.000 2.821 234 T HA 0.511 4.861 4.350 0.001 0.000 0.306 234 T C -1.710 173.247 174.700 0.429 0.000 1.313 234 T CA -0.582 61.678 62.100 0.266 0.000 1.012 234 T CB 1.617 70.669 68.868 0.307 0.000 1.298 234 T HN 0.345 nan 8.240 nan 0.000 0.502 235 I N 3.532 124.285 120.570 0.305 0.000 2.336 235 I HA 0.400 4.570 4.170 0.001 0.000 0.292 235 I C -0.404 175.822 176.117 0.181 0.000 0.991 235 I CA -0.755 60.708 61.300 0.272 0.000 1.227 235 I CB 1.276 39.425 38.000 0.249 0.000 1.366 235 I HN 0.489 nan 8.210 nan 0.000 0.466 236 L N 7.046 128.369 121.223 0.166 0.000 2.268 236 L HA 0.334 4.674 4.340 0.001 0.000 0.289 236 L C 0.190 177.111 176.870 0.084 0.000 1.064 236 L CA 0.061 54.976 54.840 0.125 0.000 0.824 236 L CB 0.110 42.259 42.059 0.150 0.000 1.202 236 L HN 0.429 nan 8.230 nan 0.000 0.433 237 D N 3.580 124.019 120.400 0.064 0.000 2.362 237 D HA 0.098 4.739 4.640 0.001 0.000 0.238 237 D C 0.282 176.568 176.300 -0.023 0.000 1.212 237 D CA 0.018 54.036 54.000 0.030 0.000 0.902 237 D CB 0.806 41.633 40.800 0.045 0.000 1.180 237 D HN 0.466 nan 8.370 nan 0.000 0.445 238 I N 1.924 122.426 120.570 -0.112 0.000 2.618 238 I HA -0.101 4.069 4.170 0.001 0.000 0.284 238 I C 0.529 176.510 176.117 -0.227 0.000 1.146 238 I CA 0.086 61.164 61.300 -0.371 0.000 1.425 238 I CB 0.013 37.656 38.000 -0.595 0.000 1.383 238 I HN 0.747 nan 8.210 nan 0.000 0.562 239 W N 2.328 123.642 121.300 0.023 0.000 2.589 239 W HA -0.256 4.405 4.660 0.001 0.000 0.272 239 W C 0.330 176.845 176.519 -0.006 0.000 1.060 239 W CA 0.127 57.469 57.345 -0.004 0.000 0.533 239 W CB -1.407 28.051 29.460 -0.004 0.000 2.084 239 W HN 0.516 nan 8.180 nan 0.000 1.371 240 D N 0.612 121.099 120.400 0.145 0.000 2.294 240 D HA 0.498 5.138 4.640 0.001 0.000 0.250 240 D C 0.378 176.721 176.300 0.071 0.000 1.058 240 D CA 0.525 54.584 54.000 0.098 0.000 0.950 240 D CB 1.253 42.097 40.800 0.073 0.000 1.158 240 D HN -0.068 nan 8.370 nan 0.000 0.453 241 T N 0.381 114.961 114.554 0.044 0.000 2.885 241 T HA 0.567 4.918 4.350 0.001 0.000 0.285 241 T C -0.343 174.361 174.700 0.006 0.000 1.019 241 T CA -0.906 61.212 62.100 0.028 0.000 1.010 241 T CB 0.723 69.590 68.868 -0.002 0.000 1.022 241 T HN 0.360 nan 8.240 nan 0.000 0.466 242 I N 2.637 123.215 120.570 0.012 0.000 2.433 242 I HA 0.504 4.675 4.170 0.001 0.000 0.292 242 I C -1.106 174.898 176.117 -0.190 0.000 1.001 242 I CA -1.020 60.201 61.300 -0.132 0.000 1.119 242 I CB 1.262 39.161 38.000 -0.168 0.000 1.289 242 I HN 0.830 nan 8.210 nan 0.000 0.438 243 N N 6.992 125.519 118.700 -0.288 0.000 2.443 243 N HA 0.414 5.155 4.740 0.001 0.000 0.269 243 N C -1.505 173.816 175.510 -0.315 0.000 0.985 243 N CA -0.500 52.435 53.050 -0.191 0.000 0.921 243 N CB 1.244 39.678 38.487 -0.088 0.000 1.195 243 N HN 0.301 nan 8.380 nan 0.000 0.492 244 F N 1.224 121.166 119.950 -0.013 0.000 2.379 244 F HA 0.373 4.901 4.527 0.001 0.000 0.332 244 F C 0.691 176.514 175.800 0.039 0.000 1.096 244 F CA -0.457 57.521 58.000 -0.037 0.000 1.105 244 F CB 1.236 40.240 39.000 0.006 0.000 1.189 244 F HN 0.377 nan 8.300 nan 0.000 0.515 245 E N 1.367 121.699 120.200 0.220 0.000 2.307 245 E HA 0.457 4.807 4.350 0.001 0.000 0.280 245 E C -1.761 174.905 176.600 0.110 0.000 0.900 245 E CA -0.432 56.087 56.400 0.198 0.000 0.790 245 E CB 1.627 31.466 29.700 0.230 0.000 1.261 245 E HN 0.511 nan 8.360 nan 0.000 0.405 246 S N 2.325 117.987 115.700 -0.063 0.000 2.575 246 S HA 0.294 4.765 4.470 0.001 0.000 0.278 246 S C -0.240 174.150 174.600 -0.350 0.000 1.139 246 S CA -0.318 57.674 58.200 -0.348 0.000 0.954 246 S CB 1.402 64.462 63.200 -0.233 0.000 1.054 246 S HN 0.545 nan 8.310 nan 0.000 0.483 247 T N 1.109 115.213 114.554 -0.750 0.000 3.332 247 T HA 0.597 4.948 4.350 0.001 0.000 0.246 247 T C 0.813 175.159 174.700 -0.591 0.000 0.943 247 T CA 0.132 61.997 62.100 -0.392 0.000 0.922 247 T CB -0.798 67.857 68.868 -0.355 0.000 1.086 247 T HN 1.652 nan 8.240 nan 0.000 0.590 248 G N 1.412 109.667 108.800 -0.909 0.000 2.640 248 G HA2 0.092 4.053 3.960 0.001 0.000 0.686 248 G HA3 0.092 4.053 3.960 0.001 0.000 0.686 248 G C -0.055 174.264 174.900 -0.969 0.000 1.229 248 G CA -0.444 43.805 45.100 -1.417 0.000 0.796 248 G HN 0.312 nan 8.290 nan 0.000 0.654 249 N N -2.610 115.259 118.700 -1.386 0.000 2.994 249 N HA -0.177 4.563 4.740 0.001 0.000 0.221 249 N C 0.551 175.721 175.510 -0.566 0.000 0.900 249 N CA 1.259 53.604 53.050 -1.175 0.000 1.008 249 N CB -0.844 37.203 38.487 -0.735 0.000 1.053 249 N HN 1.493 nan 8.380 nan 0.000 0.580 250 L N 2.368 123.345 121.223 -0.410 0.000 2.349 250 L HA 0.423 4.764 4.340 0.001 0.000 0.275 250 L C 0.271 177.006 176.870 -0.226 0.000 1.115 250 L CA -0.020 54.661 54.840 -0.264 0.000 0.820 250 L CB 0.475 42.388 42.059 -0.245 0.000 1.135 250 L HN 0.019 nan 8.230 nan 0.000 0.445 251 I N 6.057 126.506 120.570 -0.203 0.000 2.523 251 I HA 0.350 4.520 4.170 0.001 0.000 0.281 251 I C 0.704 176.779 176.117 -0.071 0.000 1.126 251 I CA -0.365 60.852 61.300 -0.138 0.000 1.187 251 I CB -0.346 37.568 38.000 -0.143 0.000 1.478 251 I HN 0.793 nan 8.210 nan 0.000 0.522 252 A N 7.579 130.278 122.820 -0.202 0.000 2.448 252 A HA 0.507 4.827 4.320 0.001 0.000 0.239 252 A C -2.265 175.277 177.584 -0.071 0.000 1.080 252 A CA -0.507 51.346 52.037 -0.305 0.000 0.779 252 A CB -0.442 18.317 19.000 -0.402 0.000 1.026 252 A HN 0.345 nan 8.150 nan 0.000 0.499 253 P HA 0.270 nan 4.420 nan 0.000 0.281 253 P C 0.125 177.476 177.300 0.085 0.000 1.249 253 P CA -0.232 62.916 63.100 0.081 0.000 0.810 253 P CB 1.102 32.882 31.700 0.134 0.000 1.008 254 E N 0.506 120.764 120.200 0.097 0.000 2.330 254 E HA 0.041 4.391 4.350 0.001 0.000 0.200 254 E C -0.420 175.973 176.600 -0.344 0.000 0.922 254 E CA 0.252 56.609 56.400 -0.072 0.000 0.935 254 E CB 0.226 29.895 29.700 -0.053 0.000 0.917 254 E HN 0.437 nan 8.360 nan 0.000 0.491 255 Y N -0.686 119.559 120.300 -0.091 0.000 2.468 255 Y HA 0.589 5.140 4.550 0.001 0.000 0.342 255 Y C 0.594 176.303 175.900 -0.319 0.000 1.021 255 Y CA -0.719 57.230 58.100 -0.252 0.000 1.079 255 Y CB 2.073 40.311 38.460 -0.369 0.000 1.226 255 Y HN -0.069 nan 8.280 nan 0.000 0.460 256 G N 0.734 109.370 108.800 -0.273 0.000 2.597 256 G HA2 0.643 4.603 3.960 0.001 0.000 0.317 256 G HA3 0.643 4.603 3.960 0.001 0.000 0.317 256 G C -1.946 172.635 174.900 -0.531 0.000 1.230 256 G CA -0.651 44.282 45.100 -0.278 0.000 0.996 256 G HN 0.390 nan 8.290 nan 0.000 0.490 257 F N 0.589 120.429 119.950 -0.183 0.000 2.500 257 F HA 0.388 4.916 4.527 0.001 0.000 0.349 257 F C 0.690 176.235 175.800 -0.425 0.000 1.127 257 F CA -0.743 57.007 58.000 -0.417 0.000 0.998 257 F CB 2.024 40.731 39.000 -0.488 0.000 1.237 257 F HN 0.095 nan 8.300 nan 0.000 0.439 258 K N 3.597 123.812 120.400 -0.308 0.000 2.448 258 K HA 0.252 4.573 4.320 0.001 0.000 0.278 258 K C 0.148 176.547 176.600 -0.335 0.000 1.009 258 K CA 0.177 56.317 56.287 -0.244 0.000 0.995 258 K CB 1.256 33.633 32.500 -0.205 0.000 0.917 258 K HN 0.663 nan 8.250 nan 0.000 0.481 259 I N 0.051 120.547 120.570 -0.124 0.000 5.119 259 I HA 0.163 4.334 4.170 0.001 0.000 0.164 259 I C -0.498 175.623 176.117 0.007 0.000 1.062 259 I CA -0.358 60.948 61.300 0.011 0.000 1.870 259 I CB 1.296 39.359 38.000 0.105 0.000 1.333 259 I HN 0.629 nan 8.210 nan 0.000 0.466 260 S N 1.346 117.069 115.700 0.039 0.000 3.586 260 S HA -0.009 4.461 4.470 0.001 0.000 0.677 260 S C -0.709 173.891 174.600 0.000 0.000 0.442 260 S CA -0.488 57.733 58.200 0.034 0.000 1.246 260 S CB -0.650 62.606 63.200 0.092 0.000 0.664 260 S HN 0.449 nan 8.310 nan 0.000 0.996 261 K N 1.763 122.158 120.400 -0.008 0.000 2.318 261 K HA 0.567 4.888 4.320 0.001 0.000 0.243 261 K C 1.323 177.896 176.600 -0.046 0.000 1.047 261 K CA -0.345 55.919 56.287 -0.039 0.000 0.937 261 K CB 0.438 32.922 32.500 -0.027 0.000 1.225 261 K HN 0.720 nan 8.250 nan 0.000 0.506 262 R N -1.689 118.769 120.500 -0.069 0.000 2.289 262 R HA 0.144 4.485 4.340 0.001 0.000 0.176 262 R C 0.096 176.326 176.300 -0.117 0.000 0.625 262 R CA 0.112 56.166 56.100 -0.077 0.000 0.896 262 R CB 0.057 30.313 30.300 -0.075 0.000 1.430 262 R HN 0.684 nan 8.270 nan 0.000 0.473 263 G N -0.008 108.718 108.800 -0.123 0.000 2.650 263 G HA2 0.417 4.378 3.960 0.001 0.000 0.310 263 G HA3 0.417 4.378 3.960 0.001 0.000 0.310 263 G C -1.569 173.268 174.900 -0.106 0.000 1.270 263 G CA -0.040 44.955 45.100 -0.174 0.000 0.810 263 G HN 0.084 nan 8.290 nan 0.000 0.493 264 S N -0.396 115.264 115.700 -0.066 0.000 2.381 264 S HA 0.583 5.053 4.470 0.001 0.000 0.193 264 S C 0.098 174.780 174.600 0.137 0.000 1.287 264 S CA 0.316 58.513 58.200 -0.005 0.000 1.199 264 S CB 0.598 63.812 63.200 0.022 0.000 1.214 264 S HN 0.944 nan 8.310 nan 0.000 0.444 265 S N 3.207 118.963 115.700 0.092 0.000 2.206 265 S HA 0.934 5.404 4.470 0.001 0.000 0.233 265 S C 0.748 175.373 174.600 0.042 0.000 1.255 265 S CA 0.352 58.639 58.200 0.145 0.000 1.010 265 S CB 0.462 63.757 63.200 0.158 0.000 0.970 265 S HN 1.188 nan 8.310 nan 0.000 0.437 266 G N -0.646 108.180 108.800 0.042 0.000 2.608 266 G HA2 0.577 4.538 3.960 0.001 0.000 0.291 266 G HA3 0.577 4.538 3.960 0.001 0.000 0.291 266 G C -1.885 173.021 174.900 0.010 0.000 1.425 266 G CA -0.804 44.295 45.100 -0.001 0.000 0.787 266 G HN 0.647 nan 8.290 nan 0.000 0.484 267 I N 1.145 121.695 120.570 -0.033 0.000 2.330 267 I HA 0.366 4.537 4.170 0.001 0.000 0.289 267 I C 0.256 176.351 176.117 -0.037 0.000 1.001 267 I CA -0.405 60.864 61.300 -0.053 0.000 1.193 267 I CB 1.775 39.705 38.000 -0.116 0.000 1.345 267 I HN 0.442 nan 8.210 nan 0.000 0.461 268 M N 7.307 126.910 119.600 0.005 0.000 2.144 268 M HA 0.299 4.779 4.480 0.001 0.000 0.356 268 M C -0.719 175.554 176.300 -0.046 0.000 1.217 268 M CA -0.142 55.148 55.300 -0.017 0.000 1.087 268 M CB 0.330 32.951 32.600 0.035 0.000 1.609 268 M HN 0.360 nan 8.290 nan 0.000 0.467 269 K N 4.320 124.683 120.400 -0.061 0.000 2.266 269 K HA 0.294 4.614 4.320 0.001 0.000 0.274 269 K C -0.555 176.002 176.600 -0.071 0.000 1.090 269 K CA -0.184 56.066 56.287 -0.062 0.000 0.925 269 K CB 1.042 33.515 32.500 -0.045 0.000 1.225 269 K HN 0.758 nan 8.250 nan 0.000 0.458 270 T N 0.513 115.024 114.554 -0.072 0.000 2.804 270 T HA 0.255 4.606 4.350 0.001 0.000 0.290 270 T C -0.356 174.305 174.700 -0.065 0.000 1.099 270 T CA -0.524 61.531 62.100 -0.075 0.000 1.011 270 T CB 1.295 70.113 68.868 -0.082 0.000 1.291 270 T HN 0.446 nan 8.240 nan 0.000 0.523 271 E N 0.301 120.466 120.200 -0.058 0.000 2.603 271 E HA 0.262 4.612 4.350 0.001 0.000 0.211 271 E C 0.788 177.358 176.600 -0.051 0.000 0.995 271 E CA -0.249 56.121 56.400 -0.051 0.000 0.990 271 E CB 0.861 30.538 29.700 -0.039 0.000 1.036 271 E HN 0.670 nan 8.360 nan 0.000 0.475 272 G N 1.316 110.083 108.800 -0.055 0.000 2.574 272 G HA2 0.478 4.439 3.960 0.001 0.000 0.248 272 G HA3 0.478 4.439 3.960 0.001 0.000 0.248 272 G C -0.318 174.549 174.900 -0.056 0.000 1.422 272 G CA -0.202 44.869 45.100 -0.048 0.000 1.051 272 G HN 0.069 nan 8.290 nan 0.000 0.560 273 T N -1.360 113.165 114.554 -0.049 0.000 3.548 273 T HA 0.410 4.761 4.350 0.001 0.000 0.329 273 T C -0.127 174.545 174.700 -0.046 0.000 0.960 273 T CA -0.637 61.428 62.100 -0.058 0.000 1.041 273 T CB 0.486 69.322 68.868 -0.055 0.000 1.065 273 T HN 1.041 nan 8.240 nan 0.000 0.459 274 L N 1.503 122.694 121.223 -0.054 0.000 2.554 274 L HA 0.316 4.657 4.340 0.001 0.000 0.293 274 L C 0.555 177.408 176.870 -0.028 0.000 1.252 274 L CA 0.118 54.939 54.840 -0.033 0.000 0.862 274 L CB 0.396 42.427 42.059 -0.046 0.000 1.113 274 L HN 0.894 nan 8.230 nan 0.000 0.510 275 E N 1.535 121.727 120.200 -0.013 0.000 2.968 275 E HA 0.092 4.442 4.350 0.001 0.000 0.202 275 E C -0.516 176.082 176.600 -0.004 0.000 0.979 275 E CA -0.460 55.934 56.400 -0.011 0.000 1.192 275 E CB -0.098 29.597 29.700 -0.008 0.000 1.059 275 E HN 0.843 nan 8.360 nan 0.000 0.470 276 N N 0.915 119.614 118.700 -0.002 0.000 2.469 276 N HA -0.155 4.585 4.740 0.001 0.000 0.283 276 N C -0.598 174.917 175.510 0.008 0.000 1.326 276 N CA 0.825 53.877 53.050 0.003 0.000 0.646 276 N CB -1.514 36.972 38.487 -0.001 0.000 0.894 276 N HN 0.522 nan 8.380 nan 0.000 0.533 277 c N 0.790 119.398 118.600 0.014 0.000 3.805 277 c HA 0.924 5.494 4.570 0.001 0.000 0.111 277 c C 0.431 174.531 174.090 0.017 0.000 2.736 277 c CA 0.186 56.523 56.329 0.013 0.000 1.638 277 c CB 0.378 42.895 42.510 0.011 0.000 3.111 277 c HN 0.858 nan 8.230 nan 0.000 0.434 278 E N -0.844 119.366 120.200 0.016 0.000 2.421 278 E HA 0.525 4.875 4.350 0.001 0.000 0.276 278 E C -1.257 175.347 176.600 0.006 0.000 1.154 278 E CA 0.696 57.106 56.400 0.017 0.000 0.883 278 E CB 1.181 30.889 29.700 0.013 0.000 1.429 278 E HN 1.266 nan 8.360 nan 0.000 0.436 279 T N 0.466 115.021 114.554 0.002 0.000 3.157 279 T HA 0.180 4.530 4.350 0.001 0.000 0.379 279 T C -0.932 173.757 174.700 -0.019 0.000 1.810 279 T CA -0.091 61.999 62.100 -0.016 0.000 1.071 279 T CB 0.607 69.453 68.868 -0.036 0.000 1.760 279 T HN 0.466 nan 8.240 nan 0.000 0.500 280 K N 1.064 121.450 120.400 -0.025 0.000 2.487 280 K HA 0.438 4.758 4.320 0.001 0.000 0.192 280 K C 0.041 176.609 176.600 -0.053 0.000 1.027 280 K CA 0.367 56.640 56.287 -0.023 0.000 1.054 280 K CB -0.194 32.295 32.500 -0.018 0.000 0.824 280 K HN 0.573 nan 8.250 nan 0.000 0.510 281 c N 0.359 118.912 118.600 -0.078 0.000 2.817 281 c HA 0.433 5.003 4.570 0.001 0.000 0.385 281 c C -1.777 172.218 174.090 -0.157 0.000 1.050 281 c CA -0.852 55.403 56.329 -0.123 0.000 1.245 281 c CB 0.503 42.943 42.510 -0.117 0.000 1.706 281 c HN 0.404 nan 8.230 nan 0.000 0.488 282 Q N 2.910 122.574 119.800 -0.226 0.000 2.301 282 Q HA 0.838 5.179 4.340 0.001 0.000 0.267 282 Q C -0.611 175.216 176.000 -0.289 0.000 1.035 282 Q CA 0.085 55.727 55.803 -0.268 0.000 0.856 282 Q CB 2.049 30.545 28.738 -0.405 0.000 1.337 282 Q HN 0.758 nan 8.270 nan 0.000 0.450 283 T N 4.325 118.716 114.554 -0.273 0.000 2.893 283 T HA 0.380 4.730 4.350 0.001 0.000 0.293 283 T C -2.219 172.270 174.700 -0.352 0.000 1.027 283 T CA -1.574 60.346 62.100 -0.299 0.000 0.988 283 T CB 1.566 70.267 68.868 -0.279 0.000 1.043 283 T HN 0.481 nan 8.240 nan 0.000 0.461 284 P HA 0.000 nan 4.420 nan 0.000 0.222 284 P C 0.900 177.970 177.300 -0.383 0.000 1.142 284 P CA 1.025 63.858 63.100 -0.444 0.000 0.788 284 P CB 0.172 31.460 31.700 -0.687 0.000 0.767 285 L N -3.868 117.090 121.223 -0.441 0.000 2.609 285 L HA 0.422 4.762 4.340 0.001 0.000 0.230 285 L C 1.104 177.678 176.870 -0.494 0.000 1.087 285 L CA 0.167 54.743 54.840 -0.441 0.000 0.874 285 L CB 0.073 41.812 42.059 -0.533 0.000 1.114 285 L HN 0.019 nan 8.230 nan 0.000 0.488 286 G N -0.210 108.350 108.800 -0.401 0.000 2.339 286 G HA2 0.430 4.390 3.960 0.001 0.000 0.302 286 G HA3 0.430 4.390 3.960 0.001 0.000 0.302 286 G C -1.735 173.086 174.900 -0.131 0.000 1.425 286 G CA -0.217 44.772 45.100 -0.184 0.000 0.899 286 G HN 0.026 nan 8.290 nan 0.000 0.619 287 A N -0.364 122.432 122.820 -0.040 0.000 2.302 287 A HA 0.816 5.137 4.320 0.001 0.000 0.285 287 A C 0.117 177.684 177.584 -0.027 0.000 1.105 287 A CA -0.409 51.594 52.037 -0.057 0.000 0.816 287 A CB 0.400 19.378 19.000 -0.037 0.000 1.067 287 A HN 0.829 nan 8.150 nan 0.000 0.489 288 I N 1.752 122.281 120.570 -0.068 0.000 2.377 288 I HA 0.236 4.407 4.170 0.001 0.000 0.293 288 I C -0.359 175.735 176.117 -0.038 0.000 0.987 288 I CA -0.565 60.701 61.300 -0.056 0.000 1.185 288 I CB 1.725 39.643 38.000 -0.137 0.000 1.341 288 I HN 0.614 nan 8.210 nan 0.000 0.455 289 N N 4.404 123.095 118.700 -0.016 0.000 2.626 289 N HA 0.424 5.165 4.740 0.001 0.000 0.249 289 N C -0.965 174.543 175.510 -0.004 0.000 1.021 289 N CA 0.035 53.078 53.050 -0.011 0.000 0.886 289 N CB 1.194 39.678 38.487 -0.005 0.000 1.149 289 N HN 0.710 nan 8.380 nan 0.000 0.517 290 T N -0.234 114.316 114.554 -0.006 0.000 2.665 290 T HA 0.483 4.834 4.350 0.001 0.000 0.303 290 T C 0.080 174.779 174.700 -0.003 0.000 1.334 290 T CA -0.163 61.939 62.100 0.004 0.000 1.011 290 T CB 0.625 69.505 68.868 0.020 0.000 1.573 290 T HN 0.380 nan 8.240 nan 0.000 0.492 291 T N -0.206 114.348 114.554 0.000 0.000 3.130 291 T HA 0.402 4.752 4.350 0.001 0.000 0.288 291 T C 0.420 175.108 174.700 -0.020 0.000 0.936 291 T CA -0.272 61.820 62.100 -0.012 0.000 0.897 291 T CB -0.324 68.539 68.868 -0.008 0.000 1.178 291 T HN 0.433 nan 8.240 nan 0.000 0.543 292 L N 1.641 122.864 121.223 -0.000 0.000 2.417 292 L HA 0.384 4.724 4.340 0.001 0.000 0.268 292 L C -1.667 175.162 176.870 -0.068 0.000 1.158 292 L CA -2.356 52.487 54.840 0.005 0.000 0.819 292 L CB 0.356 42.453 42.059 0.063 0.000 1.112 292 L HN -0.165 nan 8.230 nan 0.000 0.458 293 P HA -0.065 nan 4.420 nan 0.000 0.229 293 P C -0.691 176.030 177.300 -0.965 0.000 1.150 293 P CA 1.289 64.032 63.100 -0.596 0.000 0.765 293 P CB 0.058 31.315 31.700 -0.738 0.000 0.783 294 F N -1.662 118.276 119.950 -0.020 0.000 2.641 294 F HA 0.379 4.906 4.527 0.001 0.000 0.308 294 F C 0.546 176.361 175.800 0.024 0.000 1.105 294 F CA -1.060 56.910 58.000 -0.051 0.000 0.964 294 F CB 1.297 40.246 39.000 -0.085 0.000 1.294 294 F HN -0.139 nan 8.300 nan 0.000 0.442 295 H N 0.197 119.365 119.070 0.163 0.000 2.907 295 H HA 0.550 5.107 4.556 0.001 0.000 0.361 295 H C -1.290 174.064 175.328 0.043 0.000 1.194 295 H CA -0.992 55.127 56.048 0.117 0.000 1.152 295 H CB 2.240 32.082 29.762 0.132 0.000 1.867 295 H HN 0.606 nan 8.280 nan 0.000 0.561 296 N N 0.736 119.543 118.700 0.179 0.000 2.387 296 N HA 0.120 4.861 4.740 0.001 0.000 0.259 296 N C 0.226 175.973 175.510 0.396 0.000 1.369 296 N CA -0.330 52.711 53.050 -0.015 0.000 0.867 296 N CB -0.228 38.203 38.487 -0.093 0.000 1.341 296 N HN 0.614 nan 8.380 nan 0.000 0.495 297 I N -0.384 120.629 120.570 0.738 0.000 2.141 297 I HA -0.029 4.142 4.170 0.001 0.000 0.236 297 I C 0.431 176.842 176.117 0.489 0.000 1.071 297 I CA 1.025 62.632 61.300 0.512 0.000 1.345 297 I CB -0.093 38.098 38.000 0.319 0.000 1.066 297 I HN 0.298 nan 8.210 nan 0.000 0.406 298 H N -0.768 118.515 119.070 0.354 0.000 3.086 298 H HA 0.158 4.714 4.556 0.001 0.000 0.353 298 H C -2.328 172.726 175.328 -0.456 0.000 1.134 298 H CA -1.180 54.838 56.048 -0.050 0.000 1.248 298 H CB 2.538 32.248 29.762 -0.088 0.000 1.878 298 H HN -0.231 nan 8.280 nan 0.000 0.527 299 P HA -0.046 nan 4.420 nan 0.000 0.214 299 P C 0.675 177.797 177.300 -0.295 0.000 1.162 299 P CA 0.978 63.496 63.100 -0.970 0.000 0.879 299 P CB 0.299 31.568 31.700 -0.718 0.000 0.786 300 L N 0.668 121.867 121.223 -0.041 0.000 2.416 300 L HA 0.130 4.470 4.340 0.001 0.000 0.243 300 L C 0.908 177.803 176.870 0.042 0.000 1.373 300 L CA -0.453 54.427 54.840 0.067 0.000 1.227 300 L CB -1.656 40.494 42.059 0.152 0.000 1.428 300 L HN 0.065 nan 8.230 nan 0.000 0.425 301 T N -1.763 112.778 114.554 -0.022 0.000 2.874 301 T HA 0.649 4.999 4.350 0.001 0.000 0.281 301 T C -0.071 174.538 174.700 -0.152 0.000 0.994 301 T CA -0.566 61.481 62.100 -0.088 0.000 1.015 301 T CB 2.090 70.929 68.868 -0.047 0.000 1.028 301 T HN 0.205 nan 8.240 nan 0.000 0.523 302 I N 1.725 122.164 120.570 -0.219 0.000 2.476 302 I HA 0.601 4.772 4.170 0.001 0.000 0.281 302 I C 0.672 176.643 176.117 -0.243 0.000 1.040 302 I CA -0.265 60.884 61.300 -0.252 0.000 1.094 302 I CB 1.017 38.821 38.000 -0.328 0.000 1.219 302 I HN 1.196 nan 8.210 nan 0.000 0.450 303 G N 5.671 114.323 108.800 -0.246 0.000 2.292 303 G HA2 0.006 3.967 3.960 0.001 0.000 0.194 303 G HA3 0.006 3.967 3.960 0.001 0.000 0.194 303 G C -1.425 173.346 174.900 -0.216 0.000 1.329 303 G CA -0.782 44.207 45.100 -0.184 0.000 1.100 303 G HN 0.459 nan 8.290 nan 0.000 0.470 304 E N 0.051 120.180 120.200 -0.118 0.000 2.073 304 E HA 0.512 4.862 4.350 0.001 0.000 0.269 304 E C -1.020 175.530 176.600 -0.082 0.000 0.917 304 E CA -0.361 55.979 56.400 -0.099 0.000 0.757 304 E CB 1.421 31.097 29.700 -0.039 0.000 1.111 304 E HN 0.496 nan 8.360 nan 0.000 0.410 305 c N 3.737 122.288 118.600 -0.081 0.000 2.417 305 c HA 0.366 4.936 4.570 0.001 0.000 0.324 305 c C -2.177 171.916 174.090 0.006 0.000 1.240 305 c CA -1.874 54.447 56.329 -0.012 0.000 1.632 305 c CB 0.814 43.349 42.510 0.042 0.000 2.241 305 c HN 0.586 nan 8.230 nan 0.000 0.499 306 P HA -0.008 nan 4.420 nan 0.000 0.253 306 P C -0.196 177.075 177.300 -0.049 0.000 1.170 306 P CA 0.241 63.339 63.100 -0.003 0.000 0.806 306 P CB 0.212 31.990 31.700 0.130 0.000 0.775 307 K N 4.438 124.701 120.400 -0.228 0.000 2.149 307 K HA -0.201 4.119 4.320 0.001 0.000 0.244 307 K C -0.504 176.057 176.600 -0.065 0.000 1.369 307 K CA 0.357 56.520 56.287 -0.208 0.000 1.368 307 K CB -1.698 30.564 32.500 -0.396 0.000 0.757 307 K HN 0.360 nan 8.250 nan 0.000 0.494 308 Y N 4.138 124.268 120.300 -0.284 0.000 2.865 308 Y HA 0.081 4.631 4.550 0.001 0.000 0.338 308 Y C -0.067 175.741 175.900 -0.153 0.000 1.269 308 Y CA 0.126 57.916 58.100 -0.516 0.000 1.585 308 Y CB 0.250 38.421 38.460 -0.483 0.000 1.224 308 Y HN 0.268 nan 8.280 nan 0.000 0.554 309 V N 3.967 123.484 119.914 -0.662 0.000 3.019 309 V HA 0.440 4.561 4.120 0.001 0.000 0.317 309 V C 0.143 175.823 176.094 -0.691 0.000 1.094 309 V CA -1.440 60.583 62.300 -0.461 0.000 1.000 309 V CB 1.975 33.658 31.823 -0.233 0.000 1.060 309 V HN 0.738 nan 8.190 nan 0.000 0.443 310 K N 1.111 121.293 120.400 -0.364 0.000 2.708 310 K HA 0.289 4.609 4.320 0.001 0.000 0.219 310 K C 0.249 176.751 176.600 -0.163 0.000 1.068 310 K CA 0.120 56.257 56.287 -0.251 0.000 1.212 310 K CB -0.134 32.323 32.500 -0.072 0.000 0.978 310 K HN 0.978 nan 8.250 nan 0.000 0.475 311 S N -1.155 114.429 115.700 -0.194 0.000 2.532 311 S HA 0.238 4.708 4.470 0.001 0.000 0.301 311 S C 0.537 175.077 174.600 -0.101 0.000 1.083 311 S CA -0.923 57.197 58.200 -0.134 0.000 1.025 311 S CB 1.926 65.029 63.200 -0.161 0.000 1.056 311 S HN 0.149 nan 8.310 nan 0.000 0.494 312 E N 0.933 121.093 120.200 -0.067 0.000 2.208 312 E HA 0.018 4.369 4.350 0.001 0.000 0.193 312 E C 0.650 177.228 176.600 -0.037 0.000 0.988 312 E CA 0.697 57.073 56.400 -0.040 0.000 0.828 312 E CB 0.196 29.879 29.700 -0.027 0.000 0.763 312 E HN 0.725 nan 8.360 nan 0.000 0.478 313 R N -1.282 119.185 120.500 -0.055 0.000 2.687 313 R HA 0.374 4.714 4.340 0.001 0.000 0.265 313 R C -1.739 174.517 176.300 -0.072 0.000 1.048 313 R CA -0.709 55.364 56.100 -0.046 0.000 0.884 313 R CB 0.404 30.687 30.300 -0.029 0.000 1.258 313 R HN -0.051 nan 8.270 nan 0.000 0.469 314 L N 2.868 124.056 121.223 -0.059 0.000 2.518 314 L HA 0.444 4.784 4.340 0.001 0.000 0.262 314 L C -0.782 176.075 176.870 -0.021 0.000 0.982 314 L CA -1.060 53.737 54.840 -0.073 0.000 0.873 314 L CB 2.060 44.044 42.059 -0.125 0.000 1.198 314 L HN 0.574 nan 8.230 nan 0.000 0.427 315 V N 1.122 121.026 119.914 -0.017 0.000 2.448 315 V HA 0.562 4.682 4.120 0.001 0.000 0.295 315 V C -0.168 175.933 176.094 0.011 0.000 1.025 315 V CA -0.706 61.598 62.300 0.007 0.000 0.859 315 V CB 1.973 33.799 31.823 0.005 0.000 0.988 315 V HN 0.523 nan 8.190 nan 0.000 0.431 316 L N 4.449 125.691 121.223 0.032 0.000 2.305 316 L HA 0.694 5.035 4.340 0.001 0.000 0.281 316 L C 1.013 177.915 176.870 0.054 0.000 1.085 316 L CA -0.342 54.522 54.840 0.041 0.000 0.813 316 L CB 1.515 43.608 42.059 0.057 0.000 1.157 316 L HN 0.943 nan 8.230 nan 0.000 0.436 317 A N 2.099 124.947 122.820 0.046 0.000 2.492 317 A HA 0.364 4.684 4.320 0.001 0.000 0.254 317 A C 0.956 178.606 177.584 0.109 0.000 1.091 317 A CA 0.141 52.213 52.037 0.058 0.000 0.768 317 A CB 0.226 19.246 19.000 0.033 0.000 1.028 317 A HN 0.894 nan 8.150 nan 0.000 0.498 318 T N 0.663 115.311 114.554 0.157 0.000 3.026 318 T HA 0.378 4.728 4.350 0.001 0.000 0.245 318 T C 1.073 175.949 174.700 0.293 0.000 1.004 318 T CA 0.619 62.876 62.100 0.262 0.000 1.069 318 T CB -0.256 68.793 68.868 0.301 0.000 1.005 318 T HN 0.920 nan 8.240 nan 0.000 0.472 319 G N 1.850 110.752 108.800 0.169 0.000 2.606 319 G HA2 0.691 4.651 3.960 0.001 0.000 0.262 319 G HA3 0.691 4.651 3.960 0.001 0.000 0.262 319 G C -0.509 173.971 174.900 -0.700 0.000 1.394 319 G CA -1.067 43.958 45.100 -0.125 0.000 1.044 319 G HN 0.692 nan 8.290 nan 0.000 0.553 320 L N -2.371 118.336 121.223 -0.861 0.000 2.331 320 L HA 0.793 5.134 4.340 0.001 0.000 0.268 320 L C 0.569 177.198 176.870 -0.401 0.000 1.015 320 L CA -1.298 53.068 54.840 -0.789 0.000 0.807 320 L CB 1.288 42.838 42.059 -0.849 0.000 1.293 320 L HN 0.500 nan 8.230 nan 0.000 0.451 321 R N 1.488 121.795 120.500 -0.322 0.000 2.538 321 R HA -0.028 4.312 4.340 0.001 0.000 0.282 321 R C -0.345 175.819 176.300 -0.227 0.000 1.009 321 R CA 0.179 56.140 56.100 -0.231 0.000 1.063 321 R CB 0.134 30.317 30.300 -0.195 0.000 0.945 321 R HN 0.820 nan 8.270 nan 0.000 0.414 322 N N 4.422 123.017 118.700 -0.175 0.000 2.602 322 N HA 0.130 4.870 4.740 0.001 0.000 0.238 322 N C -1.343 174.108 175.510 -0.098 0.000 1.084 322 N CA -0.604 52.354 53.050 -0.154 0.000 0.952 322 N CB 0.920 39.305 38.487 -0.170 0.000 1.244 322 N HN 0.372 nan 8.380 nan 0.000 0.512 323 V N 3.078 122.961 119.914 -0.052 0.000 2.370 323 V HA 0.559 4.680 4.120 0.001 0.000 0.279 323 V C -1.857 174.234 176.094 -0.006 0.000 1.029 323 V CA -1.474 60.817 62.300 -0.015 0.000 0.870 323 V CB 1.164 33.001 31.823 0.024 0.000 0.984 323 V HN 0.445 nan 8.190 nan 0.000 0.451 324 P HA 0.166 nan 4.420 nan 0.000 0.196 324 P C 0.142 177.443 177.300 0.002 0.000 1.151 324 P CA 0.547 63.638 63.100 -0.016 0.000 0.857 324 P CB 0.220 31.909 31.700 -0.018 0.000 0.703 331 L N -0.055 121.134 121.223 -0.056 0.000 2.270 331 L HA 0.374 4.714 4.340 0.001 0.000 0.210 331 L C 1.989 178.606 176.870 -0.423 0.000 1.104 331 L CA 1.414 56.105 54.840 -0.249 0.000 0.804 331 L CB -0.556 41.297 42.059 -0.343 0.000 0.937 331 L HN 0.402 nan 8.230 nan 0.000 0.450 332 F N -1.214 118.708 119.950 -0.047 0.000 2.682 332 F HA 0.309 4.837 4.527 0.001 0.000 0.308 332 F C 1.780 177.574 175.800 -0.009 0.000 1.093 332 F CA 0.613 58.594 58.000 -0.031 0.000 1.244 332 F CB 0.479 39.448 39.000 -0.052 0.000 1.052 332 F HN 0.154 nan 8.300 nan 0.000 0.573 333 G N 0.515 109.365 108.800 0.083 0.000 2.320 333 G HA2 -0.389 3.572 3.960 0.001 0.000 0.242 333 G HA3 -0.389 3.572 3.960 0.001 0.000 0.242 333 G C 1.415 176.275 174.900 -0.067 0.000 1.033 333 G CA 0.446 45.591 45.100 0.076 0.000 0.620 333 G HN 0.513 nan 8.290 nan 0.000 0.517 334 A N 0.990 123.704 122.820 -0.176 0.000 1.821 334 A HA 0.404 4.724 4.320 0.001 0.000 0.215 334 A C 1.428 178.728 177.584 -0.473 0.000 1.216 334 A CA 1.378 53.058 52.037 -0.596 0.000 0.615 334 A CB -0.500 18.282 19.000 -0.362 0.000 0.862 334 A HN 0.960 nan 8.150 nan 0.000 0.450 335 I N -0.500 119.847 120.570 -0.371 0.000 2.648 335 I HA 0.218 4.388 4.170 0.001 0.000 0.284 335 I C 1.356 177.316 176.117 -0.261 0.000 1.153 335 I CA 0.515 61.528 61.300 -0.478 0.000 1.426 335 I CB 0.352 37.958 38.000 -0.658 0.000 1.381 335 I HN 0.662 nan 8.210 nan 0.000 0.571 336 A N 4.341 127.074 122.820 -0.145 0.000 2.744 336 A HA -0.170 4.151 4.320 0.001 0.000 0.300 336 A C 0.828 178.364 177.584 -0.081 0.000 1.512 336 A CA 1.194 53.186 52.037 -0.075 0.000 0.851 336 A CB -2.027 16.917 19.000 -0.094 0.000 0.987 336 A HN 1.117 nan 8.150 nan 0.000 0.507 337 G N -1.468 107.262 108.800 -0.116 0.000 3.377 337 G HA2 0.516 4.477 3.960 0.001 0.000 0.182 337 G HA3 0.516 4.477 3.960 0.001 0.000 0.182 337 G C 0.628 175.480 174.900 -0.080 0.000 1.166 337 G CA 0.161 45.206 45.100 -0.093 0.000 0.771 337 G HN 1.120 nan 8.290 nan 0.000 0.701 338 F N 0.843 120.754 119.950 -0.064 0.000 2.216 338 F HA 0.297 4.824 4.527 0.001 0.000 0.300 338 F C 1.203 176.954 175.800 -0.082 0.000 1.085 338 F CA 0.328 58.274 58.000 -0.091 0.000 1.326 338 F CB -0.448 38.461 39.000 -0.151 0.000 1.027 338 F HN -0.051 nan 8.300 nan 0.000 0.497 339 I N 2.112 122.281 120.570 -0.668 0.000 2.213 339 I HA 0.031 4.201 4.170 0.001 0.000 0.295 339 I C 1.418 177.455 176.117 -0.133 0.000 1.172 339 I CA 0.097 61.188 61.300 -0.349 0.000 1.443 339 I CB -0.108 37.626 38.000 -0.444 0.000 1.491 339 I HN 0.290 nan 8.210 nan 0.000 0.652 340 E N 3.447 123.620 120.200 -0.045 0.000 2.197 340 E HA -0.195 4.156 4.350 0.001 0.000 0.205 340 E C 1.016 177.619 176.600 0.004 0.000 1.029 340 E CA 1.398 57.793 56.400 -0.008 0.000 0.828 340 E CB 0.267 29.978 29.700 0.019 0.000 0.737 340 E HN 0.829 nan 8.360 nan 0.000 0.464 341 G N -2.317 106.459 108.800 -0.040 0.000 2.663 341 G HA2 0.535 4.495 3.960 0.001 0.000 0.299 341 G HA3 0.535 4.495 3.960 0.001 0.000 0.299 341 G C -0.747 173.938 174.900 -0.359 0.000 1.372 341 G CA -0.459 44.614 45.100 -0.046 0.000 0.781 341 G HN 0.231 nan 8.290 nan 0.000 0.491 342 G N -1.699 106.968 108.800 -0.221 0.000 2.491 342 G HA2 0.526 4.486 3.960 0.001 0.000 0.327 342 G HA3 0.526 4.486 3.960 0.001 0.000 0.327 342 G C -1.224 173.573 174.900 -0.173 0.000 1.189 342 G CA -0.604 44.221 45.100 -0.458 0.000 0.956 342 G HN 0.396 nan 8.290 nan 0.000 0.491 343 W N 0.934 122.079 121.300 -0.258 0.000 2.298 343 W HA 0.385 5.045 4.660 0.001 0.000 0.327 343 W C 0.924 177.317 176.519 -0.211 0.000 0.988 343 W CA -1.347 55.823 57.345 -0.292 0.000 1.448 343 W CB 0.955 30.108 29.460 -0.512 0.000 1.243 343 W HN 0.726 nan 8.180 nan 0.000 0.388 344 Q N 2.211 122.041 119.800 0.050 0.000 2.242 344 Q HA -0.185 4.155 4.340 0.001 0.000 0.211 344 Q C 2.231 178.248 176.000 0.028 0.000 0.992 344 Q CA 2.712 58.542 55.803 0.044 0.000 0.889 344 Q CB -0.208 28.544 28.738 0.024 0.000 0.913 344 Q HN 0.666 nan 8.270 nan 0.000 0.422 345 G N -0.133 108.578 108.800 -0.148 0.000 2.418 345 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 345 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 345 G C 0.596 175.314 174.900 -0.304 0.000 1.158 345 G CA 0.449 45.379 45.100 -0.283 0.000 0.771 345 G HN 0.408 nan 8.290 nan 0.000 0.545 346 M N 1.663 121.039 119.600 -0.372 0.000 2.146 346 M HA 0.385 4.866 4.480 0.001 0.000 0.352 346 M C -0.043 176.232 176.300 -0.042 0.000 1.343 346 M CA -0.204 55.042 55.300 -0.089 0.000 1.115 346 M CB 1.214 33.876 32.600 0.103 0.000 1.657 346 M HN 0.040 nan 8.290 nan 0.000 0.471 347 V N 1.684 121.541 119.914 -0.094 0.000 2.947 347 V HA 0.336 4.456 4.120 0.001 0.000 0.381 347 V C -0.548 175.430 176.094 -0.193 0.000 1.376 347 V CA -0.415 61.740 62.300 -0.243 0.000 1.292 347 V CB -0.223 31.528 31.823 -0.120 0.000 1.295 347 V HN 0.898 nan 8.190 nan 0.000 0.617 348 D N -0.367 119.945 120.400 -0.146 0.000 2.556 348 D HA 0.534 5.174 4.640 0.001 0.000 0.237 348 D C 0.633 176.842 176.300 -0.152 0.000 1.296 348 D CA 0.670 54.598 54.000 -0.119 0.000 0.807 348 D CB 1.744 42.524 40.800 -0.034 0.000 1.084 348 D HN 0.813 nan 8.370 nan 0.000 0.510 349 G N -0.579 108.093 108.800 -0.213 0.000 2.320 349 G HA2 0.161 4.122 3.960 0.001 0.000 0.296 349 G HA3 0.161 4.122 3.960 0.001 0.000 0.296 349 G C -1.142 173.649 174.900 -0.182 0.000 1.306 349 G CA -0.706 44.251 45.100 -0.237 0.000 0.836 349 G HN -0.056 nan 8.290 nan 0.000 0.517 350 W N -0.473 120.626 121.300 -0.335 0.000 2.588 350 W HA 0.365 5.025 4.660 0.001 0.000 0.277 350 W C -0.092 176.181 176.519 -0.410 0.000 1.221 350 W CA 0.394 57.453 57.345 -0.477 0.000 1.355 350 W CB -0.110 28.794 29.460 -0.927 0.000 1.083 350 W HN 0.371 nan 8.180 nan 0.000 0.581 351 Y N -0.502 119.938 120.300 0.233 0.000 2.477 351 Y HA 0.730 5.281 4.550 0.001 0.000 0.347 351 Y C 0.626 176.520 175.900 -0.010 0.000 0.981 351 Y CA -1.447 56.695 58.100 0.070 0.000 1.033 351 Y CB 1.230 39.701 38.460 0.019 0.000 1.245 351 Y HN -0.114 nan 8.280 nan 0.000 0.455 352 G N 0.261 109.093 108.800 0.053 0.000 2.489 352 G HA2 0.514 4.474 3.960 0.001 0.000 0.305 352 G HA3 0.514 4.474 3.960 0.001 0.000 0.305 352 G C -2.237 172.666 174.900 0.006 0.000 1.311 352 G CA -0.891 44.189 45.100 -0.034 0.000 0.813 352 G HN 0.400 nan 8.290 nan 0.000 0.480 353 Y N -0.755 119.866 120.300 0.535 0.000 2.631 353 Y HA 0.796 5.347 4.550 0.001 0.000 0.328 353 Y C 0.274 176.573 175.900 0.664 0.000 1.118 353 Y CA -0.754 57.691 58.100 0.575 0.000 1.206 353 Y CB 2.054 40.709 38.460 0.325 0.000 1.337 353 Y HN 0.650 nan 8.280 nan 0.000 0.515 354 H N 0.973 120.361 119.070 0.529 0.000 3.289 354 H HA 0.244 4.801 4.556 0.001 0.000 0.330 354 H C -1.866 173.551 175.328 0.148 0.000 1.187 354 H CA -0.659 55.468 56.048 0.132 0.000 1.601 354 H CB 0.520 30.012 29.762 -0.451 0.000 1.997 354 H HN 1.034 nan 8.280 nan 0.000 0.489 355 H N 1.839 120.723 119.070 -0.309 0.000 2.457 355 H HA 0.544 5.101 4.556 0.001 0.000 0.335 355 H C -0.763 174.330 175.328 -0.391 0.000 1.115 355 H CA -1.061 54.824 56.048 -0.271 0.000 1.219 355 H CB 1.668 31.361 29.762 -0.114 0.000 1.471 355 H HN 0.180 nan 8.280 nan 0.000 0.491 356 S N 2.945 118.472 115.700 -0.288 0.000 2.466 356 S HA 0.138 4.608 4.470 0.001 0.000 0.313 356 S C -0.235 174.282 174.600 -0.138 0.000 1.078 356 S CA -0.634 57.412 58.200 -0.256 0.000 1.115 356 S CB -0.223 62.867 63.200 -0.184 0.000 1.006 356 S HN 0.657 nan 8.310 nan 0.000 0.487 357 N N 1.187 119.801 118.700 -0.144 0.000 2.741 357 N HA 0.329 5.070 4.740 0.001 0.000 0.310 357 N C 0.423 175.893 175.510 -0.068 0.000 1.295 357 N CA -0.875 52.130 53.050 -0.075 0.000 0.893 357 N CB 0.778 39.264 38.487 -0.001 0.000 1.247 357 N HN 0.159 nan 8.380 nan 0.000 0.596 358 D N -0.023 120.350 120.400 -0.046 0.000 2.351 358 D HA -0.078 4.563 4.640 0.001 0.000 0.216 358 D C -0.330 175.948 176.300 -0.036 0.000 0.968 358 D CA 1.301 55.282 54.000 -0.033 0.000 0.899 358 D CB 0.114 40.902 40.800 -0.020 0.000 0.907 358 D HN 0.436 nan 8.370 nan 0.000 0.514 359 Q N -0.630 119.144 119.800 -0.043 0.000 2.616 359 Q HA 0.479 4.819 4.340 0.001 0.000 0.250 359 Q C 0.921 176.870 176.000 -0.086 0.000 0.991 359 Q CA -0.341 55.435 55.803 -0.045 0.000 0.707 359 Q CB 1.788 30.515 28.738 -0.019 0.000 1.247 359 Q HN 0.018 nan 8.270 nan 0.000 0.491 360 G N 2.151 110.892 108.800 -0.098 0.000 2.685 360 G HA2 -0.409 3.551 3.960 0.001 0.000 0.357 360 G HA3 -0.409 3.551 3.960 0.001 0.000 0.357 360 G C -0.139 174.615 174.900 -0.244 0.000 1.272 360 G CA 0.106 45.125 45.100 -0.135 0.000 0.972 360 G HN 0.979 nan 8.290 nan 0.000 0.550 361 S N -1.933 113.612 115.700 -0.258 0.000 3.235 361 S HA 0.467 4.937 4.470 0.001 0.000 0.853 361 S C 0.496 174.876 174.600 -0.367 0.000 1.080 361 S CA 1.270 59.221 58.200 -0.415 0.000 1.163 361 S CB -1.130 61.466 63.200 -1.006 0.000 0.812 361 S HN 3.049 nan 8.310 nan 0.000 0.260 362 G N 1.288 109.893 108.800 -0.325 0.000 2.760 362 G HA2 0.336 4.297 3.960 0.001 0.000 0.540 362 G HA3 0.336 4.297 3.960 0.001 0.000 0.540 362 G C -1.585 173.235 174.900 -0.132 0.000 1.476 362 G CA -0.990 43.957 45.100 -0.255 0.000 0.949 362 G HN 0.796 nan 8.290 nan 0.000 0.633 363 Y N 0.246 120.611 120.300 0.109 0.000 2.420 363 Y HA 0.786 5.337 4.550 0.001 0.000 0.334 363 Y C 0.675 176.704 175.900 0.215 0.000 1.094 363 Y CA -0.092 58.096 58.100 0.148 0.000 1.126 363 Y CB 2.535 41.021 38.460 0.044 0.000 1.217 363 Y HN 1.248 nan 8.280 nan 0.000 0.462 364 A N 1.689 124.796 122.820 0.479 0.000 2.466 364 A HA 0.760 5.081 4.320 0.001 0.000 0.284 364 A C -0.968 176.840 177.584 0.374 0.000 1.049 364 A CA -0.555 51.701 52.037 0.365 0.000 0.760 364 A CB 0.224 19.421 19.000 0.329 0.000 1.274 364 A HN 0.883 nan 8.150 nan 0.000 0.412 365 A N 1.806 124.777 122.820 0.251 0.000 2.425 365 A HA 0.504 4.824 4.320 0.001 0.000 0.249 365 A C 0.092 177.792 177.584 0.193 0.000 1.084 365 A CA -0.049 52.100 52.037 0.186 0.000 0.781 365 A CB 0.137 19.187 19.000 0.084 0.000 1.019 365 A HN 0.780 nan 8.150 nan 0.000 0.490 366 D N 1.808 122.303 120.400 0.158 0.000 2.470 366 D HA 0.120 4.760 4.640 0.001 0.000 0.226 366 D C 1.038 177.427 176.300 0.149 0.000 1.196 366 D CA 0.156 54.278 54.000 0.203 0.000 0.979 366 D CB 0.206 41.090 40.800 0.140 0.000 1.059 366 D HN 0.508 nan 8.370 nan 0.000 0.515 367 K N 2.071 122.541 120.400 0.118 0.000 2.152 367 K HA -0.211 4.109 4.320 0.001 0.000 0.206 367 K C 1.587 178.234 176.600 0.080 0.000 1.048 367 K CA 0.993 57.319 56.287 0.065 0.000 0.933 367 K CB 0.210 32.734 32.500 0.040 0.000 0.721 367 K HN 0.549 nan 8.250 nan 0.000 0.447 368 E N 1.070 121.332 120.200 0.104 0.000 2.023 368 E HA -0.212 4.138 4.350 0.001 0.000 0.196 368 E C 1.917 178.590 176.600 0.122 0.000 1.003 368 E CA 2.129 58.590 56.400 0.100 0.000 0.809 368 E CB -0.049 29.712 29.700 0.101 0.000 0.755 368 E HN 0.259 nan 8.360 nan 0.000 0.449 369 S N -0.928 114.868 115.700 0.159 0.000 2.453 369 S HA -0.066 4.404 4.470 0.001 0.000 0.231 369 S C 1.983 176.783 174.600 0.332 0.000 1.005 369 S CA 1.263 59.588 58.200 0.208 0.000 0.949 369 S CB -0.336 62.977 63.200 0.187 0.000 0.774 369 S HN 0.253 nan 8.310 nan 0.000 0.510 370 T N 1.735 116.437 114.554 0.247 0.000 2.951 370 T HA 0.039 4.390 4.350 0.001 0.000 0.268 370 T C 1.940 176.715 174.700 0.124 0.000 1.073 370 T CA 0.981 63.162 62.100 0.135 0.000 1.134 370 T CB -0.189 68.647 68.868 -0.053 0.000 0.884 370 T HN 0.339 nan 8.240 nan 0.000 0.479 371 Q N 1.186 121.047 119.800 0.102 0.000 2.033 371 Q HA 0.029 4.369 4.340 0.001 0.000 0.196 371 Q C 2.326 178.408 176.000 0.136 0.000 0.970 371 Q CA 1.136 56.985 55.803 0.077 0.000 0.828 371 Q CB -0.341 28.428 28.738 0.052 0.000 0.895 371 Q HN 0.461 nan 8.270 nan 0.000 0.440 372 K N 0.207 120.700 120.400 0.155 0.000 2.218 372 K HA -0.159 4.162 4.320 0.001 0.000 0.205 372 K C 1.755 178.512 176.600 0.262 0.000 1.046 372 K CA 1.239 57.630 56.287 0.173 0.000 0.933 372 K CB 0.043 32.630 32.500 0.145 0.000 0.728 372 K HN 0.139 nan 8.250 nan 0.000 0.454 373 A N 0.234 123.256 122.820 0.337 0.000 1.878 373 A HA 0.032 4.353 4.320 0.001 0.000 0.213 373 A C 2.528 180.438 177.584 0.543 0.000 1.192 373 A CA 1.191 53.518 52.037 0.483 0.000 0.619 373 A CB -1.157 18.183 19.000 0.567 0.000 0.837 373 A HN 0.366 nan 8.150 nan 0.000 0.446 374 F N 0.463 120.684 119.950 0.451 0.000 2.161 374 F HA -0.194 4.333 4.527 0.001 0.000 0.300 374 F C 2.053 177.961 175.800 0.182 0.000 1.089 374 F CA 2.216 60.370 58.000 0.256 0.000 1.282 374 F CB -1.145 37.828 39.000 -0.045 0.000 1.010 374 F HN 0.345 nan 8.300 nan 0.000 0.485 375 D N 0.012 120.506 120.400 0.156 0.000 2.084 375 D HA -0.020 4.620 4.640 0.001 0.000 0.194 375 D C 2.575 178.939 176.300 0.107 0.000 0.990 375 D CA 1.697 55.762 54.000 0.108 0.000 0.826 375 D CB -1.167 39.690 40.800 0.094 0.000 0.971 375 D HN 0.387 nan 8.370 nan 0.000 0.453 376 G N 1.282 110.168 108.800 0.143 0.000 2.434 376 G HA2 -0.188 3.773 3.960 0.001 0.000 0.214 376 G HA3 -0.188 3.773 3.960 0.001 0.000 0.214 376 G C 1.589 176.500 174.900 0.017 0.000 1.202 376 G CA 0.244 45.381 45.100 0.062 0.000 0.788 376 G HN 0.163 nan 8.290 nan 0.000 0.539 377 I N 1.628 122.257 120.570 0.098 0.000 2.315 377 I HA -0.160 4.010 4.170 0.001 0.000 0.251 377 I C 2.820 178.993 176.117 0.095 0.000 1.125 377 I CA 1.469 62.827 61.300 0.096 0.000 1.392 377 I CB -1.391 36.759 38.000 0.249 0.000 1.065 377 I HN 0.120 nan 8.210 nan 0.000 0.424 378 T N 1.128 115.744 114.554 0.104 0.000 2.674 378 T HA -0.164 4.186 4.350 0.001 0.000 0.265 378 T C 1.648 176.372 174.700 0.040 0.000 1.039 378 T CA 1.888 64.031 62.100 0.072 0.000 1.150 378 T CB -0.308 68.597 68.868 0.062 0.000 0.864 378 T HN 0.327 nan 8.240 nan 0.000 0.427 379 N N 0.728 119.443 118.700 0.025 0.000 2.272 379 N HA -0.071 4.669 4.740 0.001 0.000 0.185 379 N C 1.685 177.192 175.510 -0.004 0.000 1.014 379 N CA 0.868 53.923 53.050 0.007 0.000 0.870 379 N CB -0.126 38.360 38.487 -0.001 0.000 0.975 379 N HN 0.429 nan 8.380 nan 0.000 0.433 380 K N 0.703 121.093 120.400 -0.018 0.000 2.026 380 K HA -0.069 4.252 4.320 0.001 0.000 0.208 380 K C 1.601 178.207 176.600 0.009 0.000 1.048 380 K CA 1.031 57.303 56.287 -0.025 0.000 0.929 380 K CB -0.146 32.320 32.500 -0.058 0.000 0.713 380 K HN -0.052 nan 8.250 nan 0.000 0.439 381 V N 2.264 122.195 119.914 0.028 0.000 2.343 381 V HA -0.255 3.866 4.120 0.001 0.000 0.247 381 V C 1.950 178.065 176.094 0.035 0.000 1.051 381 V CA 2.008 64.334 62.300 0.043 0.000 1.036 381 V CB -0.686 31.172 31.823 0.057 0.000 0.654 381 V HN 0.427 nan 8.190 nan 0.000 0.451 382 N N 0.015 118.730 118.700 0.025 0.000 2.106 382 N HA -0.109 4.631 4.740 0.001 0.000 0.188 382 N C 2.133 177.651 175.510 0.013 0.000 1.029 382 N CA 1.670 54.729 53.050 0.016 0.000 0.848 382 N CB -0.600 37.895 38.487 0.013 0.000 1.007 382 N HN 0.339 nan 8.380 nan 0.000 0.423 383 S N 0.527 116.235 115.700 0.013 0.000 2.359 383 S HA -0.103 4.367 4.470 0.001 0.000 0.223 383 S C 2.208 176.825 174.600 0.028 0.000 1.039 383 S CA 0.965 59.174 58.200 0.016 0.000 1.042 383 S CB -0.487 62.719 63.200 0.010 0.000 0.915 383 S HN 0.089 nan 8.310 nan 0.000 0.439 384 V N 1.609 121.546 119.914 0.039 0.000 2.370 384 V HA -0.225 3.895 4.120 0.001 0.000 0.252 384 V C 1.847 177.979 176.094 0.063 0.000 1.068 384 V CA 1.743 64.084 62.300 0.069 0.000 1.061 384 V CB -0.598 31.274 31.823 0.082 0.000 0.656 384 V HN 0.427 nan 8.190 nan 0.000 0.455 385 I N -0.893 119.693 120.570 0.025 0.000 2.731 385 I HA -0.078 4.093 4.170 0.001 0.000 0.235 385 I C 2.347 178.438 176.117 -0.043 0.000 1.064 385 I CA 0.796 62.080 61.300 -0.027 0.000 1.439 385 I CB -0.604 37.380 38.000 -0.026 0.000 1.255 385 I HN 0.159 nan 8.210 nan 0.000 0.446 386 E N 1.277 121.462 120.200 -0.025 0.000 2.284 386 E HA -0.250 4.100 4.350 0.001 0.000 0.200 386 E C 1.702 178.289 176.600 -0.022 0.000 1.008 386 E CA 1.079 57.463 56.400 -0.026 0.000 0.829 386 E CB -0.085 29.608 29.700 -0.012 0.000 0.744 386 E HN 0.385 nan 8.360 nan 0.000 0.491 387 K N -0.010 120.385 120.400 -0.008 0.000 2.379 387 K HA 0.066 4.386 4.320 0.001 0.000 0.194 387 K C 0.616 177.216 176.600 0.001 0.000 1.031 387 K CA -0.205 56.086 56.287 0.007 0.000 1.037 387 K CB 0.102 32.620 32.500 0.030 0.000 0.824 387 K HN 0.072 nan 8.250 nan 0.000 0.516 388 M N 2.200 121.777 119.600 -0.039 0.000 2.260 388 M HA -0.050 4.430 4.480 0.001 0.000 0.348 388 M C -0.162 176.075 176.300 -0.106 0.000 1.342 388 M CA 0.575 55.814 55.300 -0.102 0.000 1.040 388 M CB -0.068 32.402 32.600 -0.217 0.000 1.810 388 M HN -0.005 nan 8.290 nan 0.000 0.453 389 N N 2.112 120.752 118.700 -0.100 0.000 2.499 389 N HA 0.339 5.080 4.740 0.001 0.000 0.281 389 N C -1.362 174.069 175.510 -0.131 0.000 1.098 389 N CA -0.232 52.772 53.050 -0.077 0.000 0.979 389 N CB 0.697 39.172 38.487 -0.020 0.000 1.121 389 N HN 0.724 nan 8.380 nan 0.000 0.466 390 T N 1.854 116.350 114.554 -0.095 0.000 3.031 390 T HA 0.267 4.618 4.350 0.001 0.000 0.305 390 T C -1.185 173.485 174.700 -0.050 0.000 0.985 390 T CA -0.530 61.509 62.100 -0.102 0.000 1.008 390 T CB 0.931 69.731 68.868 -0.114 0.000 1.005 390 T HN 0.554 nan 8.240 nan 0.000 0.444 391 Q N 2.420 122.196 119.800 -0.041 0.000 2.572 391 Q HA 0.579 4.919 4.340 0.001 0.000 0.284 391 Q C -1.093 174.934 176.000 0.045 0.000 1.091 391 Q CA -1.063 54.751 55.803 0.019 0.000 0.840 391 Q CB 1.987 30.741 28.738 0.028 0.000 1.433 391 Q HN 0.710 nan 8.270 nan 0.000 0.471 392 F N 0.656 120.586 119.950 -0.033 0.000 2.412 392 F HA 0.485 5.013 4.527 0.001 0.000 0.348 392 F C -0.222 175.564 175.800 -0.023 0.000 1.102 392 F CA 0.378 58.361 58.000 -0.028 0.000 1.196 392 F CB 0.480 39.467 39.000 -0.022 0.000 1.144 392 F HN 0.628 nan 8.300 nan 0.000 0.541 393 E N 3.739 123.618 120.200 -0.535 0.000 2.354 393 E HA 0.672 5.022 4.350 0.001 0.000 0.283 393 E C -1.995 174.364 176.600 -0.400 0.000 0.938 393 E CA -0.568 55.676 56.400 -0.259 0.000 0.777 393 E CB 0.960 30.585 29.700 -0.125 0.000 1.222 393 E HN 1.097 nan 8.360 nan 0.000 0.423 394 A N 1.231 123.958 122.820 -0.155 0.000 2.292 394 A HA 0.668 4.988 4.320 0.001 0.000 0.319 394 A C 0.915 178.476 177.584 -0.038 0.000 1.206 394 A CA -0.077 51.896 52.037 -0.106 0.000 0.835 394 A CB 1.013 20.011 19.000 -0.004 0.000 1.164 394 A HN 1.095 nan 8.150 nan 0.000 0.505 395 V N 2.634 122.519 119.914 -0.049 0.000 2.599 395 V HA 0.100 4.221 4.120 0.001 0.000 0.245 395 V C 1.576 177.682 176.094 0.021 0.000 1.046 395 V CA 1.423 63.716 62.300 -0.011 0.000 1.065 395 V CB -0.612 31.195 31.823 -0.027 0.000 0.703 395 V HN 0.927 nan 8.190 nan 0.000 0.464 396 G N 2.522 111.327 108.800 0.008 0.000 2.325 396 G HA2 0.502 4.463 3.960 0.001 0.000 0.298 396 G HA3 0.502 4.463 3.960 0.001 0.000 0.298 396 G C -0.275 174.631 174.900 0.010 0.000 1.134 396 G CA -0.334 44.778 45.100 0.020 0.000 0.876 396 G HN 0.354 nan 8.290 nan 0.000 0.452 397 K N 1.656 122.050 120.400 -0.010 0.000 2.316 397 K HA 0.635 4.956 4.320 0.001 0.000 0.234 397 K C -0.953 175.471 176.600 -0.294 0.000 1.054 397 K CA -0.929 55.272 56.287 -0.144 0.000 0.879 397 K CB 2.022 34.374 32.500 -0.246 0.000 1.252 397 K HN 0.335 nan 8.250 nan 0.000 0.471 398 E N 0.697 120.601 120.200 -0.493 0.000 2.195 398 E HA 0.484 4.834 4.350 0.001 0.000 0.271 398 E C -1.059 175.095 176.600 -0.743 0.000 0.923 398 E CA -0.606 55.532 56.400 -0.438 0.000 0.790 398 E CB 1.212 30.731 29.700 -0.301 0.000 1.155 398 E HN 0.384 nan 8.360 nan 0.000 0.402 399 F N 0.212 120.146 119.950 -0.026 0.000 2.565 399 F HA 0.219 4.746 4.527 0.001 0.000 0.313 399 F C 0.882 176.689 175.800 0.011 0.000 1.091 399 F CA -0.937 57.059 58.000 -0.006 0.000 0.915 399 F CB 1.719 40.718 39.000 -0.001 0.000 1.208 399 F HN 0.296 nan 8.300 nan 0.000 0.453 400 S N 0.599 116.420 115.700 0.202 0.000 2.608 400 S HA 0.108 4.578 4.470 0.001 0.000 0.261 400 S C 0.882 175.564 174.600 0.137 0.000 1.314 400 S CA -0.333 57.958 58.200 0.151 0.000 0.992 400 S CB 0.737 64.022 63.200 0.141 0.000 0.935 400 S HN 0.703 nan 8.310 nan 0.000 0.564 401 N N -0.250 118.515 118.700 0.108 0.000 2.381 401 N HA 0.029 4.770 4.740 0.001 0.000 0.182 401 N C 0.777 176.325 175.510 0.064 0.000 1.025 401 N CA 0.768 53.866 53.050 0.080 0.000 0.888 401 N CB -0.412 38.117 38.487 0.069 0.000 0.965 401 N HN 0.563 nan 8.380 nan 0.000 0.438 402 L N 0.551 121.816 121.223 0.071 0.000 2.791 402 L HA 0.249 4.589 4.340 0.001 0.000 0.239 402 L C 0.071 176.974 176.870 0.056 0.000 1.203 402 L CA 0.569 55.441 54.840 0.054 0.000 1.002 402 L CB -0.324 41.767 42.059 0.052 0.000 1.295 402 L HN 0.191 nan 8.230 nan 0.000 0.504 403 E N -1.057 119.184 120.200 0.069 0.000 2.887 403 E HA 0.029 4.379 4.350 0.001 0.000 0.206 403 E C 0.932 177.523 176.600 -0.016 0.000 0.983 403 E CA -0.249 56.191 56.400 0.068 0.000 1.141 403 E CB 0.822 30.633 29.700 0.185 0.000 1.061 403 E HN -0.052 nan 8.360 nan 0.000 0.468 404 K N 1.286 121.673 120.400 -0.022 0.000 2.020 404 K HA -0.122 4.199 4.320 0.001 0.000 0.212 404 K C 1.837 178.362 176.600 -0.125 0.000 1.050 404 K CA 1.378 57.626 56.287 -0.064 0.000 0.929 404 K CB -0.099 32.382 32.500 -0.032 0.000 0.714 404 K HN 0.100 nan 8.250 nan 0.000 0.443 405 R N -0.112 120.332 120.500 -0.093 0.000 2.080 405 R HA -0.148 4.193 4.340 0.001 0.000 0.236 405 R C 2.244 178.445 176.300 -0.164 0.000 1.137 405 R CA 1.541 57.580 56.100 -0.102 0.000 0.943 405 R CB -0.723 29.541 30.300 -0.060 0.000 0.846 405 R HN 0.111 nan 8.270 nan 0.000 0.431 406 L N 1.644 122.766 121.223 -0.169 0.000 2.013 406 L HA -0.251 4.089 4.340 0.001 0.000 0.212 406 L C 2.239 178.743 176.870 -0.611 0.000 1.073 406 L CA 2.037 56.736 54.840 -0.234 0.000 0.753 406 L CB -0.666 41.345 42.059 -0.079 0.000 0.890 406 L HN 0.256 nan 8.230 nan 0.000 0.432 407 E N -0.933 118.688 120.200 -0.964 0.000 2.118 407 E HA -0.308 4.043 4.350 0.001 0.000 0.195 407 E C 1.966 178.212 176.600 -0.591 0.000 0.992 407 E CA 1.545 57.093 56.400 -1.420 0.000 0.804 407 E CB -0.200 29.007 29.700 -0.822 0.000 0.741 407 E HN 0.663 nan 8.360 nan 0.000 0.458 408 N N 0.074 118.570 118.700 -0.341 0.000 2.216 408 N HA -0.138 4.602 4.740 0.001 0.000 0.183 408 N C 1.904 177.322 175.510 -0.152 0.000 1.017 408 N CA 0.703 53.641 53.050 -0.187 0.000 0.861 408 N CB -0.179 38.231 38.487 -0.128 0.000 0.986 408 N HN 0.183 nan 8.380 nan 0.000 0.428 409 L N 0.904 122.028 121.223 -0.164 0.000 2.079 409 L HA -0.142 4.198 4.340 0.001 0.000 0.210 409 L C 1.813 178.638 176.870 -0.076 0.000 1.081 409 L CA 1.819 56.597 54.840 -0.103 0.000 0.752 409 L CB -0.889 41.119 42.059 -0.086 0.000 0.896 409 L HN 0.369 nan 8.230 nan 0.000 0.433 410 N N -0.672 117.961 118.700 -0.112 0.000 2.216 410 N HA -0.251 4.489 4.740 0.001 0.000 0.183 410 N C 1.971 177.489 175.510 0.015 0.000 1.017 410 N CA 1.459 54.505 53.050 -0.007 0.000 0.861 410 N CB -0.258 38.267 38.487 0.063 0.000 0.986 410 N HN 0.427 nan 8.380 nan 0.000 0.428 411 K N 0.918 121.295 120.400 -0.038 0.000 2.001 411 K HA -0.189 4.131 4.320 0.001 0.000 0.208 411 K C 2.054 178.649 176.600 -0.007 0.000 1.048 411 K CA 1.263 57.544 56.287 -0.009 0.000 0.932 411 K CB -0.232 32.248 32.500 -0.032 0.000 0.715 411 K HN 0.123 nan 8.250 nan 0.000 0.437 412 K N 0.555 120.934 120.400 -0.035 0.000 2.211 412 K HA -0.141 4.180 4.320 0.001 0.000 0.204 412 K C 2.200 178.770 176.600 -0.049 0.000 1.047 412 K CA 1.386 57.646 56.287 -0.044 0.000 0.935 412 K CB -0.078 32.387 32.500 -0.060 0.000 0.728 412 K HN 0.233 nan 8.250 nan 0.000 0.452 413 M N 0.510 120.097 119.600 -0.022 0.000 2.132 413 M HA -0.149 4.332 4.480 0.001 0.000 0.263 413 M C 1.404 177.755 176.300 0.084 0.000 1.065 413 M CA 1.622 56.917 55.300 -0.009 0.000 1.122 413 M CB -0.077 32.566 32.600 0.072 0.000 1.365 413 M HN 0.171 nan 8.290 nan 0.000 0.411 414 E N 0.697 120.977 120.200 0.133 0.000 2.047 414 E HA -0.194 4.156 4.350 0.001 0.000 0.191 414 E C 1.632 178.328 176.600 0.161 0.000 0.987 414 E CA 1.383 57.899 56.400 0.193 0.000 0.799 414 E CB -0.575 29.202 29.700 0.129 0.000 0.752 414 E HN 0.550 nan 8.360 nan 0.000 0.449 415 D N 0.370 120.816 120.400 0.076 0.000 2.104 415 D HA -0.128 4.513 4.640 0.001 0.000 0.194 415 D C 1.989 178.304 176.300 0.025 0.000 0.994 415 D CA 1.502 55.534 54.000 0.054 0.000 0.830 415 D CB -0.741 40.066 40.800 0.012 0.000 0.959 415 D HN 0.301 nan 8.370 nan 0.000 0.452 416 G N 0.048 108.811 108.800 -0.061 0.000 2.476 416 G HA2 -0.290 3.670 3.960 0.001 0.000 0.218 416 G HA3 -0.290 3.670 3.960 0.001 0.000 0.218 416 G C 1.383 176.181 174.900 -0.170 0.000 1.164 416 G CA 0.506 45.492 45.100 -0.189 0.000 0.768 416 G HN 0.206 nan 8.290 nan 0.000 0.560 417 F N -0.085 119.898 119.950 0.055 0.000 2.407 417 F HA 0.179 4.707 4.527 0.001 0.000 0.299 417 F C 2.308 178.230 175.800 0.204 0.000 1.097 417 F CA 0.266 58.331 58.000 0.109 0.000 1.422 417 F CB -0.332 38.790 39.000 0.204 0.000 1.067 417 F HN 0.114 nan 8.300 nan 0.000 0.539 418 L N -0.001 121.420 121.223 0.331 0.000 2.072 418 L HA -0.134 4.207 4.340 0.001 0.000 0.205 418 L C 1.876 178.863 176.870 0.196 0.000 1.079 418 L CA 1.771 56.786 54.840 0.292 0.000 0.752 418 L CB -0.691 41.507 42.059 0.231 0.000 0.906 418 L HN -0.111 nan 8.230 nan 0.000 0.436 419 D N -0.884 119.578 120.400 0.102 0.000 2.144 419 D HA -0.160 4.481 4.640 0.001 0.000 0.199 419 D C 2.328 178.654 176.300 0.043 0.000 0.984 419 D CA 1.456 55.485 54.000 0.048 0.000 0.834 419 D CB -0.276 40.510 40.800 -0.022 0.000 0.955 419 D HN 0.247 nan 8.370 nan 0.000 0.465 420 V N -0.203 119.711 119.914 -0.001 0.000 2.244 420 V HA -0.202 3.919 4.120 0.001 0.000 0.244 420 V C 2.076 178.134 176.094 -0.060 0.000 1.042 420 V CA 1.410 63.649 62.300 -0.102 0.000 1.006 420 V CB -0.678 30.999 31.823 -0.244 0.000 0.641 420 V HN 0.284 nan 8.190 nan 0.000 0.446 421 W N 0.114 121.504 121.300 0.151 0.000 2.392 421 W HA -0.157 4.503 4.660 0.001 0.000 0.279 421 W C 2.551 179.110 176.519 0.066 0.000 1.225 421 W CA 1.333 58.757 57.345 0.132 0.000 1.233 421 W CB -0.585 28.967 29.460 0.152 0.000 1.122 421 W HN 0.163 nan 8.180 nan 0.000 0.561 422 T N -0.507 114.193 114.554 0.244 0.000 2.643 422 T HA -0.273 4.077 4.350 0.001 0.000 0.256 422 T C 1.319 176.071 174.700 0.086 0.000 1.061 422 T CA 1.491 63.650 62.100 0.098 0.000 1.163 422 T CB -0.966 67.939 68.868 0.061 0.000 0.865 422 T HN 0.050 nan 8.240 nan 0.000 0.407 423 Y N 2.823 123.110 120.300 -0.022 0.000 1.997 423 Y HA -0.345 4.206 4.550 0.001 0.000 0.265 423 Y C 2.400 178.279 175.900 -0.035 0.000 1.193 423 Y CA 2.071 60.147 58.100 -0.041 0.000 1.106 423 Y CB -0.793 37.634 38.460 -0.054 0.000 0.940 423 Y HN 0.172 nan 8.280 nan 0.000 0.494 424 N N -0.143 118.637 118.700 0.134 0.000 2.037 424 N HA -0.267 4.474 4.740 0.001 0.000 0.196 424 N C 1.901 177.423 175.510 0.020 0.000 1.034 424 N CA 2.020 55.106 53.050 0.060 0.000 0.861 424 N CB -0.996 37.528 38.487 0.061 0.000 1.039 424 N HN 0.556 nan 8.380 nan 0.000 0.427 425 A N 0.324 123.166 122.820 0.037 0.000 1.929 425 A HA -0.075 4.246 4.320 0.001 0.000 0.216 425 A C 2.190 179.660 177.584 -0.190 0.000 1.176 425 A CA 1.469 53.443 52.037 -0.105 0.000 0.628 425 A CB -0.552 18.215 19.000 -0.387 0.000 0.816 425 A HN 0.318 nan 8.150 nan 0.000 0.444 426 E N -0.104 119.981 120.200 -0.191 0.000 2.118 426 E HA -0.124 4.226 4.350 0.001 0.000 0.195 426 E C 1.872 178.348 176.600 -0.207 0.000 0.992 426 E CA 1.134 57.414 56.400 -0.200 0.000 0.804 426 E CB -0.156 29.437 29.700 -0.179 0.000 0.741 426 E HN 0.595 nan 8.360 nan 0.000 0.458 427 L N -0.258 120.811 121.223 -0.258 0.000 2.127 427 L HA -0.039 4.301 4.340 0.001 0.000 0.203 427 L C 2.410 179.196 176.870 -0.140 0.000 1.080 427 L CA 0.479 55.174 54.840 -0.242 0.000 0.768 427 L CB -0.397 41.454 42.059 -0.346 0.000 0.924 427 L HN 0.263 nan 8.230 nan 0.000 0.444 428 L N -0.430 120.732 121.223 -0.101 0.000 2.187 428 L HA -0.184 4.157 4.340 0.001 0.000 0.213 428 L C 2.225 179.068 176.870 -0.044 0.000 1.100 428 L CA 1.185 55.998 54.840 -0.045 0.000 0.765 428 L CB -0.114 41.950 42.059 0.009 0.000 0.904 428 L HN -0.079 nan 8.230 nan 0.000 0.437 429 V N -0.820 119.051 119.914 -0.072 0.000 2.302 429 V HA -0.232 3.888 4.120 0.001 0.000 0.243 429 V C 2.332 178.391 176.094 -0.058 0.000 1.036 429 V CA 1.566 63.830 62.300 -0.061 0.000 1.020 429 V CB -0.240 31.532 31.823 -0.085 0.000 0.657 429 V HN 0.340 nan 8.190 nan 0.000 0.453 430 L N -0.751 120.424 121.223 -0.080 0.000 1.934 430 L HA -0.199 4.142 4.340 0.001 0.000 0.227 430 L C 1.488 178.325 176.870 -0.056 0.000 1.084 430 L CA 1.557 56.354 54.840 -0.072 0.000 0.790 430 L CB -0.687 41.316 42.059 -0.094 0.000 0.896 430 L HN 0.311 nan 8.230 nan 0.000 0.437 431 M N 0.004 119.567 119.600 -0.061 0.000 2.233 431 M HA -0.121 4.359 4.480 0.001 0.000 0.307 431 M C 0.999 177.278 176.300 -0.034 0.000 1.026 431 M CA 0.635 55.908 55.300 -0.044 0.000 1.109 431 M CB 0.169 32.742 32.600 -0.045 0.000 1.463 431 M HN 0.259 nan 8.290 nan 0.000 0.436 432 E N -0.858 119.326 120.200 -0.025 0.000 4.289 432 E HA -0.207 4.144 4.350 0.001 0.000 0.351 432 E C 0.575 177.168 176.600 -0.013 0.000 0.606 432 E CA 1.637 58.023 56.400 -0.023 0.000 1.464 432 E CB -1.205 28.483 29.700 -0.020 0.000 1.831 432 E HN 0.844 nan 8.360 nan 0.000 0.400 433 N N 0.403 119.096 118.700 -0.012 0.000 2.428 433 N HA -0.024 4.717 4.740 0.001 0.000 0.181 433 N C 1.599 177.111 175.510 0.003 0.000 1.028 433 N CA 1.317 54.366 53.050 -0.001 0.000 0.877 433 N CB -0.177 38.302 38.487 -0.013 0.000 1.064 433 N HN 0.101 nan 8.380 nan 0.000 0.434 434 E N 0.456 120.651 120.200 -0.008 0.000 2.267 434 E HA -0.034 4.316 4.350 0.001 0.000 0.197 434 E C 1.476 178.087 176.600 0.018 0.000 0.998 434 E CA 1.137 57.535 56.400 -0.004 0.000 0.830 434 E CB 0.009 29.700 29.700 -0.016 0.000 0.751 434 E HN 0.367 nan 8.360 nan 0.000 0.491 435 M N -1.850 117.760 119.600 0.016 0.000 2.534 435 M HA 0.053 4.533 4.480 0.001 0.000 0.263 435 M C 1.876 178.203 176.300 0.045 0.000 1.152 435 M CA 0.774 56.091 55.300 0.028 0.000 1.145 435 M CB 0.170 32.765 32.600 -0.008 0.000 1.333 435 M HN -0.036 nan 8.290 nan 0.000 0.477 436 T N 1.750 116.325 114.554 0.035 0.000 2.777 436 T HA -0.060 4.290 4.350 0.001 0.000 0.266 436 T C 1.813 176.617 174.700 0.174 0.000 1.040 436 T CA 1.102 63.243 62.100 0.069 0.000 1.141 436 T CB -0.052 68.858 68.868 0.069 0.000 0.868 436 T HN 0.060 nan 8.240 nan 0.000 0.444 437 L N 1.734 123.035 121.223 0.129 0.000 1.976 437 L HA -0.060 4.280 4.340 0.001 0.000 0.209 437 L C 2.165 179.099 176.870 0.106 0.000 1.071 437 L CA 1.763 56.670 54.840 0.112 0.000 0.746 437 L CB -0.982 41.090 42.059 0.022 0.000 0.890 437 L HN 0.184 nan 8.230 nan 0.000 0.432 438 D N -1.331 119.140 120.400 0.118 0.000 2.311 438 D HA -0.221 4.419 4.640 0.001 0.000 0.212 438 D C 2.023 178.438 176.300 0.192 0.000 0.972 438 D CA 0.734 54.854 54.000 0.199 0.000 0.887 438 D CB -0.142 40.798 40.800 0.234 0.000 0.915 438 D HN 0.265 nan 8.370 nan 0.000 0.497 439 F N 1.328 121.238 119.950 -0.066 0.000 2.163 439 F HA -0.127 4.401 4.527 0.001 0.000 0.297 439 F C 2.286 177.893 175.800 -0.322 0.000 1.094 439 F CA 1.360 59.229 58.000 -0.218 0.000 1.290 439 F CB -0.201 38.650 39.000 -0.247 0.000 1.017 439 F HN 0.011 nan 8.300 nan 0.000 0.483 440 H N -0.566 118.333 119.070 -0.285 0.000 2.293 440 H HA -0.168 4.388 4.556 0.001 0.000 0.300 440 H C 1.870 176.913 175.328 -0.475 0.000 1.082 440 H CA 1.909 57.703 56.048 -0.423 0.000 1.308 440 H CB -0.795 28.782 29.762 -0.308 0.000 1.375 440 H HN 0.258 nan 8.280 nan 0.000 0.495 441 D N 0.365 120.650 120.400 -0.192 0.000 2.203 441 D HA -0.147 4.493 4.640 0.001 0.000 0.199 441 D C 2.322 178.433 176.300 -0.316 0.000 0.997 441 D CA 1.471 55.347 54.000 -0.206 0.000 0.863 441 D CB -0.133 40.654 40.800 -0.021 0.000 0.928 441 D HN 0.221 nan 8.370 nan 0.000 0.458 442 S N -1.130 114.217 115.700 -0.587 0.000 2.470 442 S HA -0.004 4.466 4.470 0.001 0.000 0.225 442 S C 1.685 175.847 174.600 -0.730 0.000 1.006 442 S CA 0.360 57.928 58.200 -1.054 0.000 0.934 442 S CB -0.219 61.948 63.200 -1.721 0.000 0.778 442 S HN 0.195 nan 8.310 nan 0.000 0.517 443 N N 1.281 119.517 118.700 -0.774 0.000 2.216 443 N HA 0.012 4.752 4.740 0.001 0.000 0.183 443 N C 1.699 176.768 175.510 -0.734 0.000 1.017 443 N CA 1.138 53.683 53.050 -0.843 0.000 0.861 443 N CB -0.513 37.240 38.487 -1.223 0.000 0.986 443 N HN 0.265 nan 8.380 nan 0.000 0.428 444 V N 1.826 121.347 119.914 -0.655 0.000 2.221 444 V HA -0.213 3.908 4.120 0.001 0.000 0.242 444 V C 2.297 178.305 176.094 -0.144 0.000 1.041 444 V CA 1.714 63.791 62.300 -0.371 0.000 0.995 444 V CB -0.562 31.104 31.823 -0.262 0.000 0.635 444 V HN 0.291 nan 8.190 nan 0.000 0.448 445 K N 0.821 121.157 120.400 -0.106 0.000 2.442 445 K HA -0.211 4.110 4.320 0.001 0.000 0.200 445 K C 1.480 178.130 176.600 0.084 0.000 1.045 445 K CA 1.947 58.288 56.287 0.089 0.000 0.937 445 K CB -0.416 32.160 32.500 0.126 0.000 0.757 445 K HN 0.439 nan 8.250 nan 0.000 0.474 446 N N -0.413 118.240 118.700 -0.078 0.000 2.376 446 N HA -0.003 4.738 4.740 0.001 0.000 0.177 446 N C 1.063 176.563 175.510 -0.015 0.000 1.024 446 N CA 0.537 53.544 53.050 -0.070 0.000 0.893 446 N CB 0.011 38.388 38.487 -0.184 0.000 0.980 446 N HN 0.159 nan 8.380 nan 0.000 0.439 447 L N -0.590 120.621 121.223 -0.021 0.000 2.095 447 L HA 0.050 4.391 4.340 0.001 0.000 0.204 447 L C 1.678 178.631 176.870 0.139 0.000 1.080 447 L CA 1.253 56.111 54.840 0.030 0.000 0.759 447 L CB -0.867 41.170 42.059 -0.036 0.000 0.914 447 L HN 0.192 nan 8.230 nan 0.000 0.439 448 Y N 0.107 120.471 120.300 0.106 0.000 2.365 448 Y HA -0.268 4.282 4.550 0.001 0.000 0.287 448 Y C 1.814 177.836 175.900 0.203 0.000 1.162 448 Y CA 1.945 60.191 58.100 0.243 0.000 1.260 448 Y CB -0.042 38.626 38.460 0.347 0.000 0.976 448 Y HN 0.329 nan 8.280 nan 0.000 0.548 449 D N -0.899 119.597 120.400 0.160 0.000 2.324 449 D HA -0.065 4.575 4.640 0.001 0.000 0.212 449 D C 1.914 178.197 176.300 -0.028 0.000 0.984 449 D CA 0.536 54.570 54.000 0.056 0.000 0.885 449 D CB -0.196 40.662 40.800 0.096 0.000 0.996 449 D HN 0.282 nan 8.370 nan 0.000 0.505 450 K N 0.983 121.380 120.400 -0.006 0.000 2.280 450 K HA -0.078 4.243 4.320 0.001 0.000 0.202 450 K C 1.480 178.028 176.600 -0.087 0.000 1.047 450 K CA 0.692 56.966 56.287 -0.021 0.000 0.942 450 K CB 0.300 32.817 32.500 0.027 0.000 0.739 450 K HN -0.053 nan 8.250 nan 0.000 0.457 451 V N 0.520 120.338 119.914 -0.160 0.000 2.398 451 V HA -0.082 4.039 4.120 0.001 0.000 0.236 451 V C 2.389 178.133 176.094 -0.585 0.000 1.054 451 V CA 1.220 63.295 62.300 -0.375 0.000 1.060 451 V CB -0.442 31.120 31.823 -0.435 0.000 0.707 451 V HN 0.348 nan 8.190 nan 0.000 0.480 452 R N -0.125 120.001 120.500 -0.624 0.000 2.153 452 R HA -0.244 4.097 4.340 0.001 0.000 0.252 452 R C 2.095 178.229 176.300 -0.277 0.000 1.158 452 R CA 2.203 58.049 56.100 -0.424 0.000 0.975 452 R CB -0.251 29.999 30.300 -0.084 0.000 0.871 452 R HN 0.418 nan 8.270 nan 0.000 0.450 453 M N -0.309 119.165 119.600 -0.211 0.000 2.558 453 M HA -0.071 4.409 4.480 0.001 0.000 0.255 453 M C 1.872 178.065 176.300 -0.178 0.000 1.113 453 M CA 1.066 56.274 55.300 -0.154 0.000 1.097 453 M CB 0.211 32.757 32.600 -0.090 0.000 1.426 453 M HN 0.289 nan 8.290 nan 0.000 0.488 454 Q N 0.001 119.656 119.800 -0.242 0.000 2.089 454 Q HA -0.054 4.287 4.340 0.001 0.000 0.195 454 Q C 1.843 177.634 176.000 -0.349 0.000 0.963 454 Q CA 0.943 56.605 55.803 -0.236 0.000 0.834 454 Q CB 0.255 28.833 28.738 -0.265 0.000 0.906 454 Q HN 0.313 nan 8.270 nan 0.000 0.452 455 L N 0.285 121.189 121.223 -0.531 0.000 2.044 455 L HA -0.075 4.266 4.340 0.001 0.000 0.205 455 L C 1.158 177.909 176.870 -0.198 0.000 1.075 455 L CA 1.410 55.939 54.840 -0.518 0.000 0.747 455 L CB -0.739 40.888 42.059 -0.720 0.000 0.903 455 L HN 0.243 nan 8.230 nan 0.000 0.435 456 R N -0.210 120.162 120.500 -0.214 0.000 3.992 456 R HA -0.273 4.067 4.340 0.001 0.000 0.330 456 R C 1.034 177.328 176.300 -0.011 0.000 0.242 456 R CA 1.528 57.547 56.100 -0.136 0.000 1.095 456 R CB -2.124 28.001 30.300 -0.292 0.000 1.002 456 R HN 0.458 nan 8.270 nan 0.000 0.559 457 D N 1.177 121.641 120.400 0.107 0.000 2.339 457 D HA 0.022 4.663 4.640 0.001 0.000 0.217 457 D C 0.931 177.433 176.300 0.336 0.000 1.050 457 D CA 0.364 54.492 54.000 0.213 0.000 0.856 457 D CB -0.447 40.495 40.800 0.236 0.000 0.922 457 D HN 0.272 nan 8.370 nan 0.000 0.518 458 N N 0.225 119.156 118.700 0.384 0.000 2.519 458 N HA -0.023 4.718 4.740 0.001 0.000 0.186 458 N C 0.476 176.115 175.510 0.215 0.000 1.062 458 N CA 0.842 54.167 53.050 0.459 0.000 0.910 458 N CB 0.360 39.226 38.487 0.632 0.000 0.958 458 N HN 0.427 nan 8.380 nan 0.000 0.445 459 V N -3.419 116.442 119.914 -0.089 0.000 3.216 459 V HA 0.481 4.601 4.120 0.001 0.000 0.302 459 V C -0.915 174.887 176.094 -0.487 0.000 1.286 459 V CA -1.407 60.612 62.300 -0.467 0.000 1.048 459 V CB 2.332 33.755 31.823 -0.668 0.000 1.081 459 V HN 0.052 nan 8.190 nan 0.000 0.442 460 K N 0.653 120.646 120.400 -0.679 0.000 2.110 460 K HA 0.618 4.939 4.320 0.001 0.000 0.263 460 K C -0.585 175.872 176.600 -0.238 0.000 0.975 460 K CA -0.462 55.573 56.287 -0.419 0.000 0.895 460 K CB 2.554 34.788 32.500 -0.443 0.000 1.060 460 K HN 0.870 nan 8.250 nan 0.000 0.448 461 E N 3.090 123.165 120.200 -0.207 0.000 2.028 461 E HA 0.062 4.412 4.350 0.001 0.000 0.266 461 E C 0.155 176.598 176.600 -0.262 0.000 0.962 461 E CA -0.451 55.735 56.400 -0.355 0.000 0.784 461 E CB 0.429 29.964 29.700 -0.275 0.000 1.114 461 E HN 0.579 nan 8.360 nan 0.000 0.414 462 L N 3.229 124.303 121.223 -0.248 0.000 2.261 462 L HA -0.021 4.320 4.340 0.001 0.000 0.216 462 L C 1.780 178.593 176.870 -0.095 0.000 1.114 462 L CA 1.720 56.487 54.840 -0.122 0.000 0.777 462 L CB -0.395 41.625 42.059 -0.065 0.000 0.910 462 L HN 0.892 nan 8.230 nan 0.000 0.440 463 G N -0.533 108.187 108.800 -0.134 0.000 2.159 463 G HA2 -0.335 3.626 3.960 0.001 0.000 0.256 463 G HA3 -0.335 3.626 3.960 0.001 0.000 0.256 463 G C 0.709 175.595 174.900 -0.023 0.000 0.977 463 G CA 0.588 45.609 45.100 -0.131 0.000 0.652 463 G HN 0.524 nan 8.290 nan 0.000 0.531 464 N N -0.224 118.508 118.700 0.053 0.000 2.177 464 N HA 0.428 5.168 4.740 0.001 0.000 0.218 464 N C 1.516 177.161 175.510 0.225 0.000 1.182 464 N CA 0.888 54.024 53.050 0.142 0.000 0.882 464 N CB 0.301 38.849 38.487 0.102 0.000 1.052 464 N HN 1.536 nan 8.380 nan 0.000 0.519 465 G N -0.505 108.461 108.800 0.276 0.000 2.278 465 G HA2 -0.224 3.737 3.960 0.001 0.000 0.210 465 G HA3 -0.224 3.737 3.960 0.001 0.000 0.210 465 G C -0.134 175.033 174.900 0.445 0.000 1.000 465 G CA -0.012 45.350 45.100 0.437 0.000 0.635 465 G HN 0.424 nan 8.290 nan 0.000 0.495 466 c N 1.174 119.908 118.600 0.223 0.000 2.405 466 c HA 0.780 5.350 4.570 0.001 0.000 0.365 466 c C 0.168 174.197 174.090 -0.102 0.000 1.233 466 c CA -0.458 55.980 56.329 0.183 0.000 2.230 466 c CB -0.145 42.466 42.510 0.168 0.000 2.443 466 c HN 0.289 nan 8.230 nan 0.000 0.556 467 F N 1.083 121.053 119.950 0.033 0.000 2.469 467 F HA 0.431 4.958 4.527 0.001 0.000 0.332 467 F C 0.339 176.057 175.800 -0.136 0.000 1.103 467 F CA -0.443 57.477 58.000 -0.133 0.000 0.979 467 F CB 0.991 39.815 39.000 -0.293 0.000 1.137 467 F HN 0.550 nan 8.300 nan 0.000 0.463 468 E N 3.164 123.331 120.200 -0.055 0.000 2.133 468 E HA 0.326 4.676 4.350 0.001 0.000 0.274 468 E C -1.321 175.170 176.600 -0.181 0.000 0.930 468 E CA -0.680 55.689 56.400 -0.052 0.000 0.770 468 E CB 0.847 30.512 29.700 -0.059 0.000 1.104 468 E HN 0.439 nan 8.360 nan 0.000 0.403 469 F N 3.323 123.188 119.950 -0.142 0.000 2.495 469 F HA 0.037 4.564 4.527 0.001 0.000 0.365 469 F C 0.479 176.206 175.800 -0.122 0.000 1.090 469 F CA -0.035 57.822 58.000 -0.239 0.000 1.235 469 F CB 0.448 39.267 39.000 -0.302 0.000 1.119 469 F HN 0.615 nan 8.300 nan 0.000 0.562 470 Y N 3.315 123.619 120.300 0.007 0.000 2.627 470 Y HA 0.128 4.678 4.550 0.001 0.000 0.339 470 Y C 0.161 176.208 175.900 0.246 0.000 1.137 470 Y CA -0.402 57.772 58.100 0.123 0.000 1.361 470 Y CB -1.739 36.818 38.460 0.162 0.000 1.180 470 Y HN 0.647 nan 8.280 nan 0.000 0.512 471 H N -3.748 115.569 119.070 0.412 0.000 3.012 471 H HA 0.433 4.990 4.556 0.001 0.000 0.258 471 H C -1.222 174.244 175.328 0.231 0.000 1.530 471 H CA -1.437 54.797 56.048 0.310 0.000 1.187 471 H CB 0.588 30.563 29.762 0.354 0.000 1.907 471 H HN -0.356 nan 8.280 nan 0.000 0.695 472 K N 0.313 120.964 120.400 0.419 0.000 2.156 472 K HA 0.551 4.871 4.320 0.001 0.000 0.271 472 K C -1.143 175.557 176.600 0.166 0.000 0.995 472 K CA -0.522 55.883 56.287 0.197 0.000 0.890 472 K CB 1.778 34.376 32.500 0.164 0.000 1.073 472 K HN 0.638 nan 8.250 nan 0.000 0.454 473 c N 4.744 123.261 118.600 -0.139 0.000 2.654 473 c HA 0.153 4.723 4.570 0.001 0.000 0.315 473 c C -0.321 173.661 174.090 -0.179 0.000 1.054 473 c CA -0.936 55.217 56.329 -0.295 0.000 1.419 473 c CB -0.697 41.252 42.510 -0.935 0.000 1.889 473 c HN 0.873 nan 8.230 nan 0.000 0.447 474 D N 2.162 122.529 120.400 -0.054 0.000 2.369 474 D HA 0.005 4.646 4.640 0.001 0.000 0.241 474 D C 0.532 176.801 176.300 -0.051 0.000 1.271 474 D CA -0.080 53.901 54.000 -0.032 0.000 0.942 474 D CB 0.689 41.493 40.800 0.006 0.000 1.129 474 D HN 0.368 nan 8.370 nan 0.000 0.476 475 D N -1.085 119.303 120.400 -0.021 0.000 2.390 475 D HA -0.068 4.573 4.640 0.001 0.000 0.235 475 D C 1.056 177.332 176.300 -0.041 0.000 1.040 475 D CA 0.629 54.618 54.000 -0.019 0.000 0.923 475 D CB 0.082 40.894 40.800 0.021 0.000 0.886 475 D HN 0.441 nan 8.370 nan 0.000 0.532 476 E N -1.160 119.019 120.200 -0.035 0.000 2.434 476 E HA 0.055 4.405 4.350 0.001 0.000 0.207 476 E C 1.609 178.188 176.600 -0.035 0.000 0.929 476 E CA 0.039 56.423 56.400 -0.027 0.000 1.001 476 E CB -0.158 29.539 29.700 -0.004 0.000 1.016 476 E HN 0.184 nan 8.360 nan 0.000 0.502 477 c N 0.239 118.809 118.600 -0.051 0.000 2.522 477 c HA 0.053 4.624 4.570 0.001 0.000 0.280 477 c C 2.249 176.272 174.090 -0.111 0.000 1.303 477 c CA 0.364 56.642 56.329 -0.085 0.000 1.709 477 c CB -0.735 41.681 42.510 -0.157 0.000 2.071 477 c HN 0.363 nan 8.230 nan 0.000 0.492 478 M N 2.066 121.557 119.600 -0.183 0.000 2.163 478 M HA -0.160 4.320 4.480 0.001 0.000 0.258 478 M C 1.903 178.062 176.300 -0.235 0.000 1.071 478 M CA 2.351 57.503 55.300 -0.247 0.000 1.093 478 M CB -2.411 29.967 32.600 -0.370 0.000 1.285 478 M HN 0.649 nan 8.290 nan 0.000 0.420 479 N N 0.440 119.018 118.700 -0.202 0.000 2.405 479 N HA -0.158 4.583 4.740 0.001 0.000 0.189 479 N C 1.530 176.978 175.510 -0.102 0.000 1.021 479 N CA 1.926 54.884 53.050 -0.152 0.000 0.891 479 N CB -0.095 38.337 38.487 -0.091 0.000 0.955 479 N HN 0.458 nan 8.380 nan 0.000 0.443 480 S N -1.620 114.039 115.700 -0.068 0.000 2.446 480 S HA 0.040 4.511 4.470 0.001 0.000 0.225 480 S C 1.851 176.459 174.600 0.015 0.000 1.016 480 S CA 0.559 58.753 58.200 -0.010 0.000 0.943 480 S CB -0.390 62.819 63.200 0.015 0.000 0.786 480 S HN 0.087 nan 8.310 nan 0.000 0.508 481 V N 2.710 122.612 119.914 -0.019 0.000 2.270 481 V HA -0.127 3.993 4.120 0.001 0.000 0.245 481 V C 2.587 178.574 176.094 -0.177 0.000 1.043 481 V CA 2.107 64.365 62.300 -0.071 0.000 1.014 481 V CB -0.684 31.052 31.823 -0.144 0.000 0.645 481 V HN 0.532 nan 8.190 nan 0.000 0.447 482 K N 0.369 120.557 120.400 -0.353 0.000 2.103 482 K HA -0.208 4.112 4.320 0.001 0.000 0.207 482 K C 2.005 178.567 176.600 -0.063 0.000 1.048 482 K CA 1.552 57.635 56.287 -0.341 0.000 0.930 482 K CB -0.442 31.785 32.500 -0.454 0.000 0.716 482 K HN 0.282 nan 8.250 nan 0.000 0.444 483 N N 0.359 119.025 118.700 -0.056 0.000 2.417 483 N HA -0.140 4.601 4.740 0.001 0.000 0.187 483 N C 1.178 176.702 175.510 0.023 0.000 1.027 483 N CA 1.417 54.466 53.050 -0.002 0.000 0.891 483 N CB -0.108 38.377 38.487 -0.003 0.000 0.956 483 N HN 0.477 nan 8.380 nan 0.000 0.442 484 G N -1.510 107.304 108.800 0.023 0.000 2.205 484 G HA2 -0.263 3.697 3.960 0.001 0.000 0.261 484 G HA3 -0.263 3.697 3.960 0.001 0.000 0.261 484 G C 0.159 175.089 174.900 0.051 0.000 0.980 484 G CA 0.907 46.031 45.100 0.039 0.000 0.632 484 G HN 0.638 nan 8.290 nan 0.000 0.533 485 T N -1.735 112.854 114.554 0.059 0.000 2.977 485 T HA 0.636 4.987 4.350 0.001 0.000 0.346 485 T C -0.104 174.669 174.700 0.121 0.000 1.140 485 T CA -0.628 61.518 62.100 0.077 0.000 1.040 485 T CB 1.755 70.653 68.868 0.049 0.000 1.046 485 T HN 0.500 nan 8.240 nan 0.000 0.494 486 Y N 2.432 122.737 120.300 0.009 0.000 2.780 486 Y HA 0.570 5.121 4.550 0.001 0.000 0.449 486 Y C 0.060 176.002 175.900 0.071 0.000 1.395 486 Y CA -0.311 57.802 58.100 0.022 0.000 1.864 486 Y CB 0.843 39.315 38.460 0.019 0.000 1.728 486 Y HN 0.630 nan 8.280 nan 0.000 0.686 487 D N -0.773 119.357 120.400 -0.450 0.000 3.171 487 D HA -0.027 4.613 4.640 0.001 0.000 0.240 487 D C -0.503 175.700 176.300 -0.161 0.000 1.432 487 D CA -0.238 53.632 54.000 -0.217 0.000 0.892 487 D CB -1.067 39.635 40.800 -0.164 0.000 1.499 487 D HN 0.460 nan 8.370 nan 0.000 0.597 488 Y N 1.745 122.089 120.300 0.073 0.000 2.352 488 Y HA -0.095 4.455 4.550 0.001 0.000 0.292 488 Y C 1.850 177.810 175.900 0.101 0.000 1.136 488 Y CA 2.055 60.282 58.100 0.211 0.000 1.227 488 Y CB 0.227 38.838 38.460 0.251 0.000 0.991 488 Y HN 0.250 nan 8.280 nan 0.000 0.545 489 S N -0.791 114.932 115.700 0.039 0.000 2.851 489 S HA 0.078 4.549 4.470 0.001 0.000 0.227 489 S C 1.165 175.692 174.600 -0.123 0.000 0.958 489 S CA 0.400 58.567 58.200 -0.055 0.000 0.990 489 S CB -0.135 63.086 63.200 0.034 0.000 0.790 489 S HN 0.605 nan 8.310 nan 0.000 0.509 490 K N 0.212 120.515 120.400 -0.162 0.000 2.641 490 K HA 0.258 4.578 4.320 0.001 0.000 0.222 490 K C 0.486 176.903 176.600 -0.305 0.000 1.474 490 K CA -0.229 55.923 56.287 -0.225 0.000 0.873 490 K CB -0.288 32.065 32.500 -0.244 0.000 1.817 490 K HN 0.232 nan 8.250 nan 0.000 0.419 491 Y N 2.573 122.661 120.300 -0.354 0.000 2.751 491 Y HA -0.066 4.485 4.550 0.001 0.000 0.310 491 Y C 1.841 177.493 175.900 -0.414 0.000 1.176 491 Y CA 0.961 58.762 58.100 -0.499 0.000 1.360 491 Y CB -0.123 37.822 38.460 -0.858 0.000 0.999 491 Y HN 0.434 nan 8.280 nan 0.000 0.532 492 E N 1.193 121.227 120.200 -0.277 0.000 2.118 492 E HA -0.171 4.180 4.350 0.001 0.000 0.195 492 E C 0.503 177.010 176.600 -0.155 0.000 0.992 492 E CA 0.472 56.665 56.400 -0.344 0.000 0.804 492 E CB 0.099 29.500 29.700 -0.498 0.000 0.741 492 E HN 0.545 nan 8.360 nan 0.000 0.458 493 E N 0.633 120.746 120.200 -0.145 0.000 2.447 493 E HA -0.063 4.288 4.350 0.001 0.000 0.259 493 E C -0.457 176.127 176.600 -0.027 0.000 1.196 493 E CA 0.388 56.737 56.400 -0.085 0.000 0.995 493 E CB 0.317 29.955 29.700 -0.103 0.000 0.974 493 E HN 0.155 nan 8.360 nan 0.000 0.465 494 E N -0.312 119.889 120.200 0.002 0.000 7.468 494 E HA -0.110 4.240 4.350 0.001 0.000 0.282 494 E C -1.683 174.955 176.600 0.065 0.000 0.816 494 E CA -0.040 56.392 56.400 0.052 0.000 1.479 494 E CB -0.366 29.404 29.700 0.117 0.000 0.915 494 E HN 0.338 nan 8.360 nan 0.000 0.264 495 S N 2.162 117.862 115.700 -0.001 0.000 2.677 495 S HA 0.921 5.392 4.470 0.001 0.000 0.304 495 S C -0.695 173.773 174.600 -0.220 0.000 1.108 495 S CA -0.930 57.222 58.200 -0.080 0.000 0.944 495 S CB 1.943 65.110 63.200 -0.056 0.000 1.127 495 S HN 0.424 nan 8.310 nan 0.000 0.511 496 K N 0.000 120.161 120.400 -0.398 0.000 2.780 496 K HA 0.000 4.320 4.320 0.001 0.000 0.191 496 K CA 0.000 55.990 56.287 -0.495 0.000 0.838 496 K CB 0.000 32.329 32.500 -0.285 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543