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 3l73_1_B DATA FIRST_RESID 20 DATA SEQUENCE GAEDLEITKL PNGLIIASLE NFSPASRIGV FIKAGSRYET TANLGTAHLL DATA SEQUENCE RLASPLTTKG ASSFRITRGI EAVGGSLSVY STREKMTYCV ECLRDHVDTV DATA SEQUENCE MEYLLNVTTA PEFRPWEVTD LQPQLKVDKA VAFQSPQVGV LENLHAAAYK DATA SEQUENCE TALANPLYCP DYRIGKITSE QLHHFVQNNF TSARMALVGI GVKHSDLKQV DATA SEQUENCE AEQFLNIRSG AGTSSAKATY WGGEIREQNG HSLVHAAVVT EGAAVGSAEA DATA SEQUENCE NAFSVLQHVL GAGPLIKRGS SVTSKLYQGV AKATTQPFDA SAFNVNYSDS DATA SEQUENCE GLFGFYTISQ AAHAGEVIRA AMNQLKAAAQ GGVTEEDVTK AKNQLKATYL DATA SEQUENCE MSVETAQGLL NEIGSEALLS GTHTAPSVVA QKIDSVTSAD VVNAAKKFVS DATA SEQUENCE GKKSMAASGD LGSTPFLDEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 20 G C 0.000 174.914 174.900 0.023 0.000 0.946 20 G CA 0.000 44.971 45.100 -0.214 0.000 0.502 21 A N 1.622 124.522 122.820 0.133 0.000 1.331 21 A HA 0.586 4.906 4.320 0.000 0.000 0.223 21 A C -0.675 176.959 177.584 0.082 0.000 1.297 21 A CA 0.322 52.425 52.037 0.110 0.000 1.172 21 A CB -0.436 nan 19.000 nan 0.000 0.760 21 A HN 2.060 nan 8.150 nan 0.000 0.547 22 E N 1.730 121.983 120.200 0.087 0.000 2.419 22 E HA 0.509 4.859 4.350 0.000 0.000 0.285 22 E C -0.488 176.123 176.600 0.018 0.000 1.079 22 E CA -0.128 56.300 56.400 0.046 0.000 0.864 22 E CB 0.923 30.653 29.700 0.049 0.000 1.216 22 E HN 1.666 nan 8.360 nan 0.000 0.428 23 D N 0.514 120.908 120.400 -0.010 0.000 4.160 23 D HA -0.227 4.413 4.640 0.000 0.000 0.291 23 D C -0.723 175.529 176.300 -0.080 0.000 2.226 23 D CA 0.874 54.849 54.000 -0.043 0.000 1.157 23 D CB -0.701 40.075 40.800 -0.040 0.000 1.020 23 D HN 1.172 nan 8.370 nan 0.000 1.219 24 L N -0.574 120.587 121.223 -0.103 0.000 2.986 24 L HA 0.311 4.652 4.340 0.000 0.000 0.224 24 L C -0.799 175.998 176.870 -0.121 0.000 1.096 24 L CA -0.090 54.670 54.840 -0.133 0.000 1.139 24 L CB -0.081 41.820 42.059 -0.263 0.000 1.347 24 L HN 0.578 nan 8.230 nan 0.000 0.651 25 E N 2.435 122.557 120.200 -0.129 0.000 2.428 25 E HA 0.487 4.837 4.350 0.000 0.000 0.257 25 E C 0.028 176.527 176.600 -0.168 0.000 1.197 25 E CA 0.452 56.685 56.400 -0.279 0.000 0.974 25 E CB 1.294 30.606 29.700 -0.647 0.000 0.976 25 E HN 0.520 nan 8.360 nan 0.000 0.463 26 I N 1.046 121.499 120.570 -0.195 0.000 2.552 26 I HA 0.065 4.235 4.170 0.000 0.000 0.253 26 I C -0.820 175.338 176.117 0.068 0.000 1.386 26 I CA -0.105 61.239 61.300 0.073 0.000 1.057 26 I CB 0.350 38.368 38.000 0.031 0.000 1.451 26 I HN 0.429 nan 8.210 nan 0.000 0.483 27 T N 3.992 118.664 114.554 0.195 0.000 2.667 27 T HA 0.132 4.482 4.350 0.000 0.000 0.305 27 T C 0.344 175.095 174.700 0.085 0.000 1.022 27 T CA -0.201 61.984 62.100 0.141 0.000 0.995 27 T CB 0.652 69.663 68.868 0.239 0.000 1.026 27 T HN 0.526 nan 8.240 nan 0.000 0.527 28 K N 1.167 121.600 120.400 0.056 0.000 3.306 28 K HA 0.253 4.573 4.320 0.000 0.000 0.169 28 K C -0.205 176.412 176.600 0.028 0.000 1.110 28 K CA -0.209 56.099 56.287 0.036 0.000 0.783 28 K CB -0.120 32.396 32.500 0.026 0.000 0.958 28 K HN 0.525 nan 8.250 nan 0.000 0.581 29 L N 1.095 122.336 121.223 0.029 0.000 2.905 29 L HA -0.248 4.092 4.340 0.000 0.000 0.377 29 L C -1.297 175.583 176.870 0.016 0.000 1.300 29 L CA -0.157 54.696 54.840 0.021 0.000 0.812 29 L CB -0.042 42.027 42.059 0.017 0.000 0.994 29 L HN 0.346 nan 8.230 nan 0.000 0.648 30 P HA -0.222 nan 4.420 nan 0.000 0.212 30 P C 0.863 178.169 177.300 0.009 0.000 1.174 30 P CA 2.214 65.319 63.100 0.008 0.000 0.934 30 P CB -0.211 31.492 31.700 0.004 0.000 0.791 31 N N -1.688 117.017 118.700 0.008 0.000 2.635 31 N HA -0.049 4.691 4.740 0.000 0.000 0.191 31 N C 1.043 176.560 175.510 0.011 0.000 1.155 31 N CA 0.798 53.853 53.050 0.008 0.000 0.927 31 N CB -0.559 37.933 38.487 0.007 0.000 0.976 31 N HN 0.270 nan 8.380 nan 0.000 0.448 32 G N 0.219 109.026 108.800 0.013 0.000 2.163 32 G HA2 -0.242 3.718 3.960 0.000 0.000 0.213 32 G HA3 -0.242 3.718 3.960 0.000 0.000 0.213 32 G C -0.220 174.688 174.900 0.015 0.000 0.991 32 G CA -0.101 45.008 45.100 0.015 0.000 0.653 32 G HN 0.328 nan 8.290 nan 0.000 0.518 33 L N 2.309 123.540 121.223 0.013 0.000 2.385 33 L HA 0.612 4.952 4.340 0.000 0.000 0.281 33 L C 0.649 177.526 176.870 0.012 0.000 1.106 33 L CA -0.435 54.411 54.840 0.012 0.000 0.856 33 L CB 0.143 42.209 42.059 0.011 0.000 1.186 33 L HN 0.196 nan 8.230 nan 0.000 0.453 34 I N 6.293 126.868 120.570 0.009 0.000 2.474 34 I HA 0.214 4.384 4.170 0.000 0.000 0.287 34 I C -0.109 176.008 176.117 -0.000 0.000 1.048 34 I CA -0.062 61.243 61.300 0.009 0.000 1.383 34 I CB 0.819 38.819 38.000 0.001 0.000 1.412 34 I HN 0.516 nan 8.210 nan 0.000 0.531 35 I N 6.103 126.681 120.570 0.015 0.000 2.466 35 I HA 0.404 4.574 4.170 0.000 0.000 0.279 35 I C 0.140 176.283 176.117 0.043 0.000 1.033 35 I CA -0.313 60.979 61.300 -0.013 0.000 1.123 35 I CB 1.450 39.410 38.000 -0.065 0.000 1.237 35 I HN 0.595 nan 8.210 nan 0.000 0.460 36 A N 4.493 127.311 122.820 -0.003 0.000 2.264 36 A HA 0.880 5.200 4.320 0.000 0.000 0.304 36 A C -0.129 177.473 177.584 0.029 0.000 1.100 36 A CA -0.337 51.719 52.037 0.032 0.000 0.839 36 A CB 1.549 20.520 19.000 -0.049 0.000 1.121 36 A HN 0.607 nan 8.150 nan 0.000 0.496 37 S N -0.648 115.104 115.700 0.088 0.000 2.565 37 S HA 0.557 5.027 4.470 0.000 0.000 0.274 37 S C -2.206 172.412 174.600 0.030 0.000 1.144 37 S CA -0.386 57.857 58.200 0.072 0.000 0.849 37 S CB 1.169 64.468 63.200 0.166 0.000 1.103 37 S HN 2.151 nan 8.310 nan 0.000 0.455 38 L N 2.751 123.962 121.223 -0.021 0.000 2.705 38 L HA 0.731 5.071 4.340 0.000 0.000 0.260 38 L C -1.399 175.411 176.870 -0.101 0.000 0.921 38 L CA -0.140 54.666 54.840 -0.058 0.000 0.948 38 L CB 1.831 43.850 42.059 -0.066 0.000 1.427 38 L HN 0.817 nan 8.230 nan 0.000 0.432 39 E N 2.783 122.891 120.200 -0.154 0.000 2.081 39 E HA 0.450 4.800 4.350 0.000 0.000 0.281 39 E C -0.227 176.197 176.600 -0.292 0.000 0.986 39 E CA -0.069 56.137 56.400 -0.324 0.000 0.796 39 E CB 0.768 30.163 29.700 -0.509 0.000 1.085 39 E HN 0.608 nan 8.360 nan 0.000 0.398 40 N N 4.263 122.842 118.700 -0.202 0.000 2.234 40 N HA 0.057 4.797 4.740 0.000 0.000 0.227 40 N C -0.492 175.095 175.510 0.127 0.000 1.151 40 N CA -0.501 52.553 53.050 0.007 0.000 0.865 40 N CB -0.559 37.940 38.487 0.019 0.000 1.066 40 N HN 0.508 nan 8.380 nan 0.000 0.515 41 F N -0.446 119.504 119.950 -0.000 0.000 3.105 41 F HA -0.288 4.239 4.527 0.000 0.000 0.280 41 F C 0.764 176.564 175.800 -0.000 0.000 0.894 41 F CA 0.624 58.623 58.000 -0.001 0.000 0.992 41 F CB -2.321 36.678 39.000 -0.002 0.000 1.047 41 F HN 0.148 nan 8.300 nan 0.000 0.607 42 S N 1.815 117.565 115.700 0.083 0.000 2.562 42 S HA 0.198 4.668 4.470 0.000 0.000 0.281 42 S C -0.329 174.302 174.600 0.052 0.000 1.333 42 S CA -0.891 57.346 58.200 0.062 0.000 1.052 42 S CB 0.935 64.153 63.200 0.030 0.000 0.884 42 S HN 0.106 nan 8.310 nan 0.000 0.506 43 P HA 0.067 nan 4.420 nan 0.000 0.234 43 P C -0.192 177.126 177.300 0.029 0.000 1.162 43 P CA 0.504 63.628 63.100 0.041 0.000 0.759 43 P CB -0.182 31.540 31.700 0.037 0.000 0.813 44 A N -1.034 121.801 122.820 0.025 0.000 2.475 44 A HA 0.618 4.938 4.320 0.000 0.000 0.301 44 A C -0.143 177.449 177.584 0.013 0.000 1.059 44 A CA -0.395 51.656 52.037 0.024 0.000 0.710 44 A CB 1.423 20.442 19.000 0.031 0.000 1.288 44 A HN -0.047 nan 8.150 nan 0.000 0.408 45 S N -0.168 115.541 115.700 0.015 0.000 2.745 45 S HA 0.832 5.302 4.470 0.000 0.000 0.292 45 S C 0.027 174.642 174.600 0.025 0.000 1.133 45 S CA -0.647 57.558 58.200 0.008 0.000 0.998 45 S CB 1.237 64.439 63.200 0.003 0.000 1.087 45 S HN 0.804 nan 8.310 nan 0.000 0.551 46 R N 1.165 121.682 120.500 0.028 0.000 3.190 46 R HA 0.336 4.676 4.340 0.000 0.000 0.244 46 R C -1.813 174.524 176.300 0.061 0.000 1.788 46 R CA 0.014 56.141 56.100 0.046 0.000 1.160 46 R CB -0.452 29.874 30.300 0.043 0.000 1.494 46 R HN 0.625 nan 8.270 nan 0.000 0.499 47 I N 2.146 122.753 120.570 0.063 0.000 2.532 47 I HA 0.683 4.853 4.170 0.000 0.000 0.292 47 I C 0.778 176.966 176.117 0.119 0.000 1.014 47 I CA -0.506 60.840 61.300 0.077 0.000 1.340 47 I CB 1.879 39.908 38.000 0.048 0.000 1.422 47 I HN 0.705 nan 8.210 nan 0.000 0.528 48 G N 3.539 112.449 108.800 0.184 0.000 2.690 48 G HA2 0.604 4.564 3.960 0.000 0.000 0.293 48 G HA3 0.604 4.564 3.960 0.000 0.000 0.293 48 G C -1.753 173.322 174.900 0.291 0.000 1.399 48 G CA -0.374 44.859 45.100 0.222 0.000 0.890 48 G HN 0.319 nan 8.290 nan 0.000 0.485 49 V N 1.528 121.548 119.914 0.176 0.000 2.349 49 V HA 0.448 4.568 4.120 0.000 0.000 0.284 49 V C -0.982 175.197 176.094 0.142 0.000 1.014 49 V CA -0.658 61.749 62.300 0.177 0.000 0.826 49 V CB 0.528 32.360 31.823 0.015 0.000 1.009 49 V HN 0.513 nan 8.190 nan 0.000 0.431 50 F N 5.290 125.236 119.950 -0.006 0.000 2.385 50 F HA 0.705 5.232 4.527 0.000 0.000 0.336 50 F C 0.342 176.104 175.800 -0.065 0.000 1.100 50 F CA -1.013 56.988 58.000 0.001 0.000 1.116 50 F CB 1.080 40.091 39.000 0.018 0.000 1.166 50 F HN 0.218 nan 8.300 nan 0.000 0.511 51 I N 1.492 122.106 120.570 0.074 0.000 2.913 51 I HA 0.272 4.442 4.170 0.000 0.000 0.302 51 I C -0.835 175.291 176.117 0.014 0.000 1.246 51 I CA -1.158 60.109 61.300 -0.056 0.000 1.010 51 I CB 2.618 40.397 38.000 -0.368 0.000 1.259 51 I HN 0.368 nan 8.210 nan 0.000 0.434 52 K N 4.159 124.561 120.400 0.002 0.000 2.206 52 K HA 0.703 5.023 4.320 0.000 0.000 0.268 52 K C -0.681 175.842 176.600 -0.128 0.000 1.111 52 K CA -0.150 56.160 56.287 0.039 0.000 0.955 52 K CB 0.894 33.444 32.500 0.083 0.000 1.406 52 K HN 0.673 nan 8.250 nan 0.000 0.427 53 A N 1.536 124.330 122.820 -0.044 0.000 2.612 53 A HA 0.870 5.190 4.320 0.000 0.000 0.293 53 A C -0.657 177.059 177.584 0.221 0.000 1.075 53 A CA -0.358 51.607 52.037 -0.120 0.000 0.680 53 A CB 2.018 21.152 19.000 0.224 0.000 1.279 53 A HN 0.641 nan 8.150 nan 0.000 0.411 54 G N -0.897 108.151 108.800 0.414 0.000 2.320 54 G HA2 0.549 4.509 3.960 0.000 0.000 0.297 54 G HA3 0.549 4.509 3.960 0.000 0.000 0.297 54 G C 0.603 175.733 174.900 0.384 0.000 1.344 54 G CA 0.644 45.958 45.100 0.357 0.000 0.851 54 G HN 2.029 nan 8.290 nan 0.000 0.567 55 S N -0.601 115.191 115.700 0.152 0.000 2.520 55 S HA -0.184 4.286 4.470 0.000 0.000 0.249 55 S C 1.923 176.591 174.600 0.113 0.000 0.983 55 S CA 1.713 59.966 58.200 0.088 0.000 0.958 55 S CB -0.204 62.977 63.200 -0.031 0.000 0.750 55 S HN 0.772 nan 8.310 nan 0.000 0.527 56 R N -0.029 120.567 120.500 0.160 0.000 2.115 56 R HA -0.018 4.322 4.340 0.000 0.000 0.226 56 R C 0.863 177.124 176.300 -0.066 0.000 1.100 56 R CA 1.175 57.261 56.100 -0.023 0.000 0.980 56 R CB -0.211 30.003 30.300 -0.143 0.000 0.875 56 R HN 0.591 nan 8.270 nan 0.000 0.445 57 Y N 0.750 121.118 120.300 0.114 0.000 2.461 57 Y HA 0.265 4.815 4.550 0.000 0.000 0.277 57 Y C 0.007 176.011 175.900 0.175 0.000 1.182 57 Y CA -0.255 57.913 58.100 0.112 0.000 1.276 57 Y CB 0.005 38.498 38.460 0.056 0.000 1.087 57 Y HN -0.003 nan 8.280 nan 0.000 0.519 58 E N 0.266 120.648 120.200 0.303 0.000 2.343 58 E HA 0.267 4.617 4.350 0.000 0.000 0.269 58 E C -0.286 176.392 176.600 0.130 0.000 1.047 58 E CA -0.006 56.528 56.400 0.222 0.000 0.874 58 E CB 0.862 30.643 29.700 0.136 0.000 1.033 58 E HN 0.035 nan 8.360 nan 0.000 0.409 59 T N 1.171 115.796 114.554 0.118 0.000 2.912 59 T HA 0.052 4.402 4.350 0.000 0.000 0.288 59 T C 1.114 175.861 174.700 0.078 0.000 1.030 59 T CA -0.661 61.489 62.100 0.084 0.000 1.020 59 T CB 1.627 70.545 68.868 0.083 0.000 1.056 59 T HN 0.488 nan 8.240 nan 0.000 0.480 60 T N 1.516 116.112 114.554 0.069 0.000 2.836 60 T HA -0.216 4.134 4.350 0.000 0.000 0.268 60 T C 1.851 176.611 174.700 0.100 0.000 1.080 60 T CA 1.854 64.005 62.100 0.085 0.000 1.128 60 T CB -0.409 68.499 68.868 0.067 0.000 0.839 60 T HN 0.676 nan 8.240 nan 0.000 0.507 61 A N 1.610 124.479 122.820 0.083 0.000 2.021 61 A HA 0.071 4.391 4.320 0.000 0.000 0.216 61 A C 1.712 179.341 177.584 0.075 0.000 1.163 61 A CA 1.199 53.285 52.037 0.081 0.000 0.676 61 A CB -0.064 18.979 19.000 0.072 0.000 0.818 61 A HN 0.717 nan 8.150 nan 0.000 0.453 62 N N -0.254 118.489 118.700 0.072 0.000 2.299 62 N HA 0.184 4.924 4.740 0.000 0.000 0.246 62 N C -0.303 175.208 175.510 0.001 0.000 1.254 62 N CA -0.356 52.721 53.050 0.044 0.000 0.879 62 N CB -0.708 37.829 38.487 0.084 0.000 1.214 62 N HN 0.306 nan 8.380 nan 0.000 0.510 63 L N 0.471 121.695 121.223 0.002 0.000 2.581 63 L HA 0.007 4.347 4.340 0.000 0.000 0.299 63 L C 1.729 178.536 176.870 -0.104 0.000 1.261 63 L CA 1.629 56.444 54.840 -0.040 0.000 0.866 63 L CB -0.067 41.961 42.059 -0.052 0.000 1.113 63 L HN 0.519 nan 8.230 nan 0.000 0.514 64 G N 0.728 109.468 108.800 -0.100 0.000 2.328 64 G HA2 -0.416 3.544 3.960 0.000 0.000 0.256 64 G HA3 -0.416 3.544 3.960 0.000 0.000 0.256 64 G C 1.035 175.828 174.900 -0.177 0.000 1.014 64 G CA 0.934 45.970 45.100 -0.107 0.000 0.620 64 G HN 0.729 nan 8.290 nan 0.000 0.530 65 T N 0.450 114.865 114.554 -0.231 0.000 2.869 65 T HA 0.134 4.484 4.350 0.000 0.000 0.270 65 T C 2.566 176.932 174.700 -0.558 0.000 1.082 65 T CA 2.681 64.569 62.100 -0.353 0.000 1.123 65 T CB -0.438 68.249 68.868 -0.302 0.000 0.856 65 T HN 1.353 nan 8.240 nan 0.000 0.499 66 A N -0.083 122.409 122.820 -0.547 0.000 1.854 66 A HA -0.016 4.304 4.320 0.000 0.000 0.214 66 A C 2.087 179.532 177.584 -0.231 0.000 1.192 66 A CA 1.820 53.519 52.037 -0.563 0.000 0.611 66 A CB -1.151 17.656 19.000 -0.322 0.000 0.832 66 A HN 0.826 nan 8.150 nan 0.000 0.442 67 H N -0.928 117.987 119.070 -0.257 0.000 2.290 67 H HA -0.170 4.386 4.556 0.000 0.000 0.298 67 H C 2.037 177.257 175.328 -0.180 0.000 1.087 67 H CA 1.633 57.569 56.048 -0.187 0.000 1.291 67 H CB -0.087 29.591 29.762 -0.139 0.000 1.369 67 H HN 0.340 nan 8.280 nan 0.000 0.492 68 L N 0.860 121.947 121.223 -0.226 0.000 2.131 68 L HA -0.134 4.206 4.340 0.000 0.000 0.210 68 L C 2.293 178.999 176.870 -0.274 0.000 1.092 68 L CA 1.174 55.821 54.840 -0.321 0.000 0.759 68 L CB -0.727 41.123 42.059 -0.348 0.000 0.903 68 L HN 0.381 nan 8.230 nan 0.000 0.435 69 L N -0.396 120.659 121.223 -0.279 0.000 2.141 69 L HA -0.156 4.184 4.340 0.000 0.000 0.209 69 L C 2.671 179.518 176.870 -0.037 0.000 1.094 69 L CA 1.716 56.422 54.840 -0.225 0.000 0.763 69 L CB -0.707 41.215 42.059 -0.228 0.000 0.908 69 L HN 0.358 nan 8.230 nan 0.000 0.437 70 R N -0.797 119.679 120.500 -0.041 0.000 2.066 70 R HA -0.084 4.256 4.340 0.000 0.000 0.232 70 R C 2.118 178.379 176.300 -0.066 0.000 1.131 70 R CA 1.588 57.660 56.100 -0.046 0.000 0.955 70 R CB -0.249 30.032 30.300 -0.031 0.000 0.851 70 R HN 0.441 nan 8.270 nan 0.000 0.432 71 L N 0.027 121.216 121.223 -0.057 0.000 2.395 71 L HA 0.071 4.411 4.340 0.000 0.000 0.218 71 L C 2.223 179.055 176.870 -0.063 0.000 1.130 71 L CA 0.611 55.411 54.840 -0.066 0.000 0.826 71 L CB -0.265 41.741 42.059 -0.089 0.000 0.941 71 L HN 0.268 nan 8.230 nan 0.000 0.451 72 A N 0.154 122.935 122.820 -0.066 0.000 2.206 72 A HA -0.067 4.253 4.320 0.000 0.000 0.211 72 A C 2.393 180.034 177.584 0.094 0.000 1.158 72 A CA 0.961 52.983 52.037 -0.026 0.000 0.761 72 A CB -0.361 18.557 19.000 -0.138 0.000 0.801 72 A HN 0.482 nan 8.150 nan 0.000 0.473 73 S N 1.492 117.252 115.700 0.100 0.000 2.389 73 S HA -0.161 4.309 4.470 0.000 0.000 0.231 73 S C -0.138 174.537 174.600 0.125 0.000 1.052 73 S CA 1.650 59.950 58.200 0.165 0.000 1.053 73 S CB -1.724 61.521 63.200 0.075 0.000 0.886 73 S HN 0.620 nan 8.310 nan 0.000 0.456 74 P HA 0.250 nan 4.420 nan 0.000 0.245 74 P C 0.236 177.571 177.300 0.058 0.000 1.212 74 P CA 0.080 63.205 63.100 0.042 0.000 0.774 74 P CB -0.150 31.554 31.700 0.006 0.000 0.999 75 L N 0.834 122.105 121.223 0.079 0.000 2.464 75 L HA 0.141 4.481 4.340 0.000 0.000 0.264 75 L C 1.275 178.192 176.870 0.078 0.000 1.199 75 L CA -0.463 54.424 54.840 0.078 0.000 0.818 75 L CB -0.140 41.977 42.059 0.096 0.000 1.102 75 L HN -0.040 nan 8.230 nan 0.000 0.473 76 T N -1.105 113.488 114.554 0.064 0.000 2.946 76 T HA 0.185 4.535 4.350 0.000 0.000 0.312 76 T C 0.125 174.839 174.700 0.024 0.000 1.066 76 T CA -0.530 61.607 62.100 0.062 0.000 1.138 76 T CB 0.311 69.221 68.868 0.070 0.000 1.014 76 T HN 0.789 nan 8.240 nan 0.000 0.544 77 T N -0.351 114.225 114.554 0.037 0.000 2.930 77 T HA 0.485 4.835 4.350 0.000 0.000 0.290 77 T C 0.922 175.632 174.700 0.017 0.000 1.052 77 T CA -1.318 60.783 62.100 0.003 0.000 1.017 77 T CB 1.865 70.750 68.868 0.029 0.000 1.137 77 T HN 0.554 nan 8.240 nan 0.000 0.511 78 K N 0.508 120.907 120.400 -0.002 0.000 2.152 78 K HA -0.034 4.286 4.320 0.000 0.000 0.206 78 K C 2.222 178.840 176.600 0.030 0.000 1.048 78 K CA 1.641 57.936 56.287 0.013 0.000 0.933 78 K CB -0.487 32.014 32.500 0.002 0.000 0.721 78 K HN 0.775 nan 8.250 nan 0.000 0.447 79 G N 0.301 109.120 108.800 0.031 0.000 2.459 79 G HA2 0.171 4.131 3.960 0.000 0.000 0.213 79 G HA3 0.171 4.131 3.960 0.000 0.000 0.213 79 G C 0.135 175.067 174.900 0.052 0.000 1.155 79 G CA 0.428 45.547 45.100 0.031 0.000 0.811 79 G HN 0.345 nan 8.290 nan 0.000 0.534 80 A N -0.081 122.791 122.820 0.086 0.000 2.413 80 A HA 0.724 5.044 4.320 0.000 0.000 0.307 80 A C 0.001 177.675 177.584 0.149 0.000 1.087 80 A CA -0.046 52.085 52.037 0.156 0.000 0.750 80 A CB 1.443 20.619 19.000 0.294 0.000 1.296 80 A HN 0.695 nan 8.150 nan 0.000 0.423 81 S N 0.294 116.093 115.700 0.166 0.000 2.646 81 S HA 0.423 4.893 4.470 0.000 0.000 0.276 81 S C 1.173 175.864 174.600 0.152 0.000 1.222 81 S CA 0.260 58.556 58.200 0.160 0.000 1.014 81 S CB 1.425 64.740 63.200 0.191 0.000 0.991 81 S HN 1.162 nan 8.310 nan 0.000 0.533 82 S N 0.419 116.206 115.700 0.145 0.000 2.392 82 S HA -0.180 4.290 4.470 0.000 0.000 0.232 82 S C 1.331 176.012 174.600 0.134 0.000 1.041 82 S CA 1.786 60.059 58.200 0.122 0.000 1.026 82 S CB -0.842 62.437 63.200 0.131 0.000 0.845 82 S HN 0.693 nan 8.310 nan 0.000 0.465 83 F N 1.991 121.953 119.950 0.021 0.000 2.039 83 F HA 0.090 4.617 4.527 0.000 0.000 0.294 83 F C 2.491 178.274 175.800 -0.028 0.000 1.130 83 F CA 1.932 59.932 58.000 0.001 0.000 1.189 83 F CB -0.802 38.209 39.000 0.018 0.000 0.983 83 F HN 0.067 nan 8.300 nan 0.000 0.471 84 R N 0.481 120.969 120.500 -0.020 0.000 2.127 84 R HA -0.165 4.175 4.340 0.000 0.000 0.238 84 R C 2.310 178.413 176.300 -0.329 0.000 1.134 84 R CA 1.835 57.841 56.100 -0.156 0.000 0.975 84 R CB -0.488 29.886 30.300 0.124 0.000 0.865 84 R HN 0.447 nan 8.270 nan 0.000 0.447 85 I N -0.380 120.045 120.570 -0.242 0.000 2.099 85 I HA -0.311 3.859 4.170 0.000 0.000 0.239 85 I C 2.070 177.851 176.117 -0.560 0.000 1.066 85 I CA 1.844 62.858 61.300 -0.478 0.000 1.324 85 I CB -0.573 37.357 38.000 -0.116 0.000 1.037 85 I HN 0.226 nan 8.210 nan 0.000 0.401 86 T N 0.392 114.746 114.554 -0.333 0.000 2.737 86 T HA -0.095 4.255 4.350 0.000 0.000 0.265 86 T C 2.075 176.566 174.700 -0.348 0.000 1.038 86 T CA 0.927 62.858 62.100 -0.283 0.000 1.144 86 T CB -0.141 68.624 68.868 -0.171 0.000 0.866 86 T HN 0.162 nan 8.240 nan 0.000 0.434 87 R N 0.953 121.173 120.500 -0.467 0.000 2.070 87 R HA 0.041 4.381 4.340 0.000 0.000 0.233 87 R C 2.886 178.960 176.300 -0.377 0.000 1.137 87 R CA 1.596 57.413 56.100 -0.472 0.000 0.945 87 R CB -1.479 28.350 30.300 -0.785 0.000 0.845 87 R HN 0.498 nan 8.270 nan 0.000 0.430 88 G N 1.315 109.851 108.800 -0.440 0.000 2.476 88 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 88 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 88 G C 1.660 176.367 174.900 -0.322 0.000 1.164 88 G CA 0.835 45.725 45.100 -0.350 0.000 0.768 88 G HN 0.256 nan 8.290 nan 0.000 0.560 89 I N 0.360 120.649 120.570 -0.468 0.000 2.202 89 I HA -0.113 4.057 4.170 0.000 0.000 0.242 89 I C 2.726 178.738 176.117 -0.175 0.000 1.091 89 I CA 1.142 62.286 61.300 -0.260 0.000 1.368 89 I CB -0.263 37.587 38.000 -0.250 0.000 1.058 89 I HN 0.267 nan 8.210 nan 0.000 0.410 90 E N 0.923 121.008 120.200 -0.190 0.000 2.268 90 E HA -0.166 4.184 4.350 0.000 0.000 0.195 90 E C 2.220 178.738 176.600 -0.136 0.000 0.995 90 E CA 0.956 57.271 56.400 -0.143 0.000 0.836 90 E CB -0.104 29.513 29.700 -0.138 0.000 0.763 90 E HN 0.487 nan 8.360 nan 0.000 0.491 91 A N 1.207 123.933 122.820 -0.156 0.000 2.070 91 A HA -0.118 4.202 4.320 0.000 0.000 0.220 91 A C 2.182 179.660 177.584 -0.176 0.000 1.159 91 A CA 1.435 53.388 52.037 -0.139 0.000 0.656 91 A CB -0.229 18.696 19.000 -0.124 0.000 0.800 91 A HN 0.223 nan 8.150 nan 0.000 0.453 92 V N -5.016 114.763 119.914 -0.224 0.000 3.176 92 V HA 0.596 4.716 4.120 0.000 0.000 0.332 92 V C 0.982 176.933 176.094 -0.238 0.000 1.414 92 V CA 0.270 62.328 62.300 -0.402 0.000 1.133 92 V CB -0.765 30.682 31.823 -0.627 0.000 1.088 92 V HN 1.397 nan 8.190 nan 0.000 0.473 93 G N 0.136 108.857 108.800 -0.132 0.000 2.246 93 G HA2 -0.112 3.848 3.960 0.000 0.000 0.273 93 G HA3 -0.112 3.848 3.960 0.000 0.000 0.273 93 G C 0.529 175.405 174.900 -0.040 0.000 1.055 93 G CA 0.349 45.410 45.100 -0.066 0.000 0.851 93 G HN 1.357 nan 8.290 nan 0.000 0.500 94 G N -0.801 107.966 108.800 -0.055 0.000 2.525 94 G HA2 0.900 4.860 3.960 0.000 0.000 0.287 94 G HA3 0.900 4.860 3.960 0.000 0.000 0.287 94 G C 0.351 175.238 174.900 -0.022 0.000 1.350 94 G CA 0.695 45.782 45.100 -0.021 0.000 1.039 94 G HN 1.834 nan 8.290 nan 0.000 0.513 95 S N -2.164 113.533 115.700 -0.005 0.000 2.671 95 S HA 0.737 5.207 4.470 0.000 0.000 0.277 95 S C -1.658 172.942 174.600 0.001 0.000 1.165 95 S CA -0.715 57.481 58.200 -0.007 0.000 0.822 95 S CB 2.024 65.231 63.200 0.012 0.000 1.150 95 S HN 1.680 nan 8.310 nan 0.000 0.479 96 L N 1.217 122.434 121.223 -0.011 0.000 2.905 96 L HA 0.688 5.028 4.340 0.000 0.000 0.260 96 L C -1.204 175.630 176.870 -0.061 0.000 0.933 96 L CA 0.241 55.076 54.840 -0.008 0.000 1.034 96 L CB 1.131 43.187 42.059 -0.005 0.000 1.550 96 L HN 1.146 nan 8.230 nan 0.000 0.480 97 S N 2.822 118.471 115.700 -0.086 0.000 2.697 97 S HA 0.961 5.431 4.470 0.000 0.000 0.289 97 S C -1.100 173.279 174.600 -0.368 0.000 1.149 97 S CA -0.866 57.177 58.200 -0.262 0.000 0.850 97 S CB 2.312 65.288 63.200 -0.374 0.000 1.151 97 S HN 0.535 nan 8.310 nan 0.000 0.491 98 V N 2.052 121.618 119.914 -0.579 0.000 2.462 98 V HA 0.394 4.514 4.120 0.000 0.000 0.288 98 V C -1.894 173.883 176.094 -0.528 0.000 1.020 98 V CA -0.518 61.430 62.300 -0.586 0.000 0.857 98 V CB 0.457 31.860 31.823 -0.699 0.000 1.013 98 V HN 0.852 nan 8.190 nan 0.000 0.431 99 Y N 2.397 122.566 120.300 -0.219 0.000 2.361 99 Y HA 0.759 5.309 4.550 0.000 0.000 0.332 99 Y C 0.681 176.504 175.900 -0.128 0.000 1.101 99 Y CA -0.613 57.401 58.100 -0.144 0.000 1.137 99 Y CB 2.128 40.517 38.460 -0.119 0.000 1.207 99 Y HN 0.662 nan 8.280 nan 0.000 0.463 100 S N -0.173 115.554 115.700 0.045 0.000 2.535 100 S HA 0.643 5.113 4.470 0.000 0.000 0.272 100 S C -0.519 174.088 174.600 0.011 0.000 1.149 100 S CA -0.762 57.453 58.200 0.025 0.000 0.888 100 S CB 1.361 64.561 63.200 -0.000 0.000 1.110 100 S HN 0.772 nan 8.310 nan 0.000 0.463 101 T N -0.103 114.483 114.554 0.052 0.000 2.893 101 T HA 0.509 4.859 4.350 0.000 0.000 0.281 101 T C 1.015 175.733 174.700 0.030 0.000 1.027 101 T CA -1.008 61.129 62.100 0.061 0.000 0.953 101 T CB 0.556 69.514 68.868 0.151 0.000 1.434 101 T HN 0.649 nan 8.240 nan 0.000 0.597 102 R N 0.814 121.322 120.500 0.014 0.000 2.280 102 R HA 0.061 4.401 4.340 0.000 0.000 0.207 102 R C 1.464 177.786 176.300 0.036 0.000 1.043 102 R CA 1.244 57.311 56.100 -0.055 0.000 1.006 102 R CB -0.153 30.020 30.300 -0.212 0.000 0.885 102 R HN 0.885 nan 8.270 nan 0.000 0.467 103 E N 0.750 121.013 120.200 0.106 0.000 2.789 103 E HA 0.074 4.424 4.350 0.000 0.000 0.217 103 E C -0.719 176.022 176.600 0.235 0.000 0.970 103 E CA -0.413 56.120 56.400 0.220 0.000 1.201 103 E CB 0.434 30.225 29.700 0.153 0.000 1.069 103 E HN 0.008 nan 8.360 nan 0.000 0.499 104 K N 0.567 121.075 120.400 0.181 0.000 2.542 104 K HA 0.532 4.852 4.320 0.000 0.000 0.259 104 K C -1.362 175.312 176.600 0.124 0.000 0.932 104 K CA -0.567 55.814 56.287 0.157 0.000 0.820 104 K CB 1.884 34.487 32.500 0.171 0.000 1.345 104 K HN 0.024 nan 8.250 nan 0.000 0.432 105 M N 2.204 121.867 119.600 0.106 0.000 2.259 105 M HA 0.405 4.885 4.480 0.000 0.000 0.304 105 M C -1.147 175.180 176.300 0.047 0.000 1.019 105 M CA -0.580 54.782 55.300 0.102 0.000 0.922 105 M CB 2.865 35.600 32.600 0.226 0.000 1.600 105 M HN 0.803 nan 8.290 nan 0.000 0.433 106 T N 2.318 116.852 114.554 -0.034 0.000 2.807 106 T HA 0.525 4.875 4.350 0.000 0.000 0.279 106 T C -1.340 173.331 174.700 -0.049 0.000 0.993 106 T CA -0.433 61.553 62.100 -0.191 0.000 0.970 106 T CB 0.728 69.280 68.868 -0.525 0.000 0.950 106 T HN 0.308 nan 8.240 nan 0.000 0.441 107 Y N 2.564 122.761 120.300 -0.172 0.000 2.478 107 Y HA 0.470 5.020 4.550 0.000 0.000 0.329 107 Y C 0.737 176.610 175.900 -0.045 0.000 0.967 107 Y CA -1.284 56.776 58.100 -0.066 0.000 1.255 107 Y CB 0.390 38.828 38.460 -0.036 0.000 1.103 107 Y HN 0.860 nan 8.280 nan 0.000 0.497 108 C N 1.436 120.793 119.300 0.095 0.000 2.595 108 C HA 1.009 5.469 4.460 0.000 0.000 0.338 108 C C -0.079 174.971 174.990 0.100 0.000 1.219 108 C CA -1.313 57.763 59.018 0.098 0.000 1.811 108 C CB 1.017 28.803 27.740 0.076 0.000 2.313 108 C HN 0.667 nan 8.230 nan 0.000 0.499 109 V N -1.672 118.296 119.914 0.091 0.000 2.932 109 V HA 0.721 4.841 4.120 0.000 0.000 0.307 109 V C -0.993 175.143 176.094 0.069 0.000 1.147 109 V CA -0.317 62.029 62.300 0.077 0.000 0.951 109 V CB 1.646 33.519 31.823 0.082 0.000 1.031 109 V HN 1.056 nan 8.190 nan 0.000 0.426 110 E N 1.953 122.189 120.200 0.059 0.000 2.264 110 E HA 0.890 5.240 4.350 0.000 0.000 0.260 110 E C -0.880 175.753 176.600 0.054 0.000 0.961 110 E CA -0.253 56.179 56.400 0.054 0.000 0.834 110 E CB 2.309 32.038 29.700 0.049 0.000 1.230 110 E HN 1.367 nan 8.360 nan 0.000 0.412 111 C N -1.501 117.835 119.300 0.060 0.000 2.948 111 C HA 0.303 4.763 4.460 0.000 0.000 0.328 111 C C -1.234 173.811 174.990 0.091 0.000 1.289 111 C CA -1.177 57.891 59.018 0.084 0.000 1.200 111 C CB -0.686 27.120 27.740 0.109 0.000 1.341 111 C HN 0.728 nan 8.230 nan 0.000 0.462 112 L N 2.020 123.329 121.223 0.142 0.000 2.452 112 L HA 0.379 4.719 4.340 0.000 0.000 0.267 112 L C 2.008 178.890 176.870 0.021 0.000 1.188 112 L CA -0.307 54.588 54.840 0.091 0.000 0.821 112 L CB 0.285 42.422 42.059 0.129 0.000 1.102 112 L HN 0.844 nan 8.230 nan 0.000 0.470 113 R N 0.747 121.236 120.500 -0.019 0.000 2.140 113 R HA -0.195 4.145 4.340 0.000 0.000 0.250 113 R C 0.862 177.102 176.300 -0.100 0.000 1.150 113 R CA 1.818 57.892 56.100 -0.045 0.000 0.966 113 R CB -0.326 29.953 30.300 -0.034 0.000 0.869 113 R HN 0.682 nan 8.270 nan 0.000 0.445 114 D N -0.481 119.786 120.400 -0.221 0.000 2.363 114 D HA -0.048 4.592 4.640 0.000 0.000 0.226 114 D C 0.814 176.853 176.300 -0.435 0.000 1.020 114 D CA 0.840 54.634 54.000 -0.343 0.000 0.892 114 D CB 0.108 40.649 40.800 -0.431 0.000 0.900 114 D HN 0.443 nan 8.370 nan 0.000 0.531 115 H N -0.771 118.303 119.070 0.007 0.000 2.923 115 H HA 0.163 4.719 4.556 0.000 0.000 0.268 115 H C 2.041 177.373 175.328 0.006 0.000 1.148 115 H CA -0.138 55.916 56.048 0.010 0.000 1.146 115 H CB 0.545 30.317 29.762 0.017 0.000 1.607 115 H HN -0.066 nan 8.280 nan 0.000 0.566 116 V N 2.337 122.288 119.914 0.062 0.000 2.220 116 V HA -0.349 3.771 4.120 0.000 0.000 0.250 116 V C 2.507 178.608 176.094 0.012 0.000 1.056 116 V CA 2.532 64.851 62.300 0.032 0.000 1.016 116 V CB -0.416 31.405 31.823 -0.005 0.000 0.639 116 V HN 0.547 nan 8.190 nan 0.000 0.446 117 D N -0.292 120.100 120.400 -0.013 0.000 2.191 117 D HA -0.251 4.389 4.640 0.000 0.000 0.195 117 D C 1.859 178.121 176.300 -0.063 0.000 1.003 117 D CA 2.303 56.272 54.000 -0.051 0.000 0.867 117 D CB -0.816 39.958 40.800 -0.044 0.000 0.926 117 D HN 0.519 nan 8.370 nan 0.000 0.450 118 T N 0.859 115.415 114.554 0.004 0.000 2.732 118 T HA -0.053 4.297 4.350 0.000 0.000 0.261 118 T C 2.341 177.065 174.700 0.040 0.000 1.040 118 T CA 1.293 63.403 62.100 0.018 0.000 1.145 118 T CB -0.504 68.427 68.868 0.105 0.000 0.866 118 T HN 0.060 nan 8.240 nan 0.000 0.427 119 V N 1.452 121.434 119.914 0.114 0.000 2.594 119 V HA -0.146 3.974 4.120 0.000 0.000 0.253 119 V C 2.430 178.584 176.094 0.100 0.000 1.069 119 V CA 1.351 63.761 62.300 0.183 0.000 1.082 119 V CB -0.729 31.169 31.823 0.125 0.000 0.680 119 V HN 0.337 nan 8.190 nan 0.000 0.469 120 M N 0.479 120.068 119.600 -0.017 0.000 2.117 120 M HA -0.159 4.321 4.480 0.000 0.000 0.262 120 M C 2.080 178.279 176.300 -0.169 0.000 1.065 120 M CA 2.003 57.255 55.300 -0.080 0.000 1.114 120 M CB -0.592 31.933 32.600 -0.125 0.000 1.361 120 M HN 0.483 nan 8.290 nan 0.000 0.408 121 E N -0.894 119.119 120.200 -0.312 0.000 2.048 121 E HA -0.287 4.063 4.350 0.000 0.000 0.202 121 E C 1.868 178.242 176.600 -0.377 0.000 1.021 121 E CA 2.369 58.493 56.400 -0.461 0.000 0.825 121 E CB -0.497 28.783 29.700 -0.700 0.000 0.756 121 E HN 0.703 nan 8.360 nan 0.000 0.454 122 Y N 0.083 120.359 120.300 -0.040 0.000 2.224 122 Y HA -0.177 4.373 4.550 0.000 0.000 0.289 122 Y C 2.349 178.253 175.900 0.006 0.000 1.146 122 Y CA 0.697 58.789 58.100 -0.012 0.000 1.182 122 Y CB -0.447 38.008 38.460 -0.009 0.000 0.983 122 Y HN 0.198 nan 8.280 nan 0.000 0.524 123 L N 0.633 121.929 121.223 0.121 0.000 1.970 123 L HA -0.219 4.121 4.340 0.000 0.000 0.212 123 L C 2.299 179.190 176.870 0.035 0.000 1.071 123 L CA 1.552 56.449 54.840 0.094 0.000 0.751 123 L CB -1.205 40.895 42.059 0.068 0.000 0.889 123 L HN 0.400 nan 8.230 nan 0.000 0.432 124 L N -0.518 120.691 121.223 -0.023 0.000 1.971 124 L HA -0.305 4.035 4.340 0.000 0.000 0.215 124 L C 2.449 179.312 176.870 -0.011 0.000 1.072 124 L CA 2.110 56.929 54.840 -0.035 0.000 0.758 124 L CB -0.681 41.324 42.059 -0.089 0.000 0.889 124 L HN 0.459 nan 8.230 nan 0.000 0.433 125 N N -0.188 118.503 118.700 -0.014 0.000 2.036 125 N HA -0.205 4.535 4.740 0.000 0.000 0.195 125 N C 1.815 177.342 175.510 0.029 0.000 1.037 125 N CA 2.029 55.086 53.050 0.010 0.000 0.855 125 N CB -0.415 38.082 38.487 0.018 0.000 1.033 125 N HN 0.287 nan 8.380 nan 0.000 0.423 126 V N 1.174 121.129 119.914 0.069 0.000 2.233 126 V HA -0.252 3.868 4.120 0.000 0.000 0.247 126 V C 2.621 178.738 176.094 0.038 0.000 1.050 126 V CA 2.410 64.770 62.300 0.099 0.000 1.010 126 V CB -1.282 30.660 31.823 0.199 0.000 0.637 126 V HN 0.564 nan 8.190 nan 0.000 0.444 127 T N -1.903 112.614 114.554 -0.060 0.000 2.951 127 T HA -0.139 4.211 4.350 0.000 0.000 0.268 127 T C 1.618 176.334 174.700 0.028 0.000 1.073 127 T CA 1.807 63.808 62.100 -0.165 0.000 1.134 127 T CB -0.390 68.265 68.868 -0.354 0.000 0.884 127 T HN 0.660 nan 8.240 nan 0.000 0.479 128 T N -1.615 112.945 114.554 0.010 0.000 2.999 128 T HA 0.571 4.921 4.350 0.000 0.000 0.247 128 T C 1.433 176.133 174.700 -0.001 0.000 1.012 128 T CA 0.201 62.318 62.100 0.030 0.000 1.048 128 T CB -0.055 68.829 68.868 0.028 0.000 1.020 128 T HN 0.424 nan 8.240 nan 0.000 0.478 129 A N 2.987 125.792 122.820 -0.025 0.000 2.855 129 A HA 0.561 4.881 4.320 0.000 0.000 0.301 129 A C -2.483 175.029 177.584 -0.121 0.000 1.076 129 A CA -1.407 50.599 52.037 -0.051 0.000 1.004 129 A CB 0.067 19.057 19.000 -0.016 0.000 1.152 129 A HN 0.443 nan 8.150 nan 0.000 0.531 130 P HA 0.105 nan 4.420 nan 0.000 0.271 130 P C -0.013 176.995 177.300 -0.488 0.000 1.233 130 P CA 0.315 63.132 63.100 -0.473 0.000 0.789 130 P CB 1.276 32.398 31.700 -0.962 0.000 0.951 131 E N -0.386 119.550 120.200 -0.441 0.000 2.453 131 E HA 0.167 4.517 4.350 0.000 0.000 0.211 131 E C -0.022 176.457 176.600 -0.201 0.000 0.897 131 E CA -0.241 56.033 56.400 -0.210 0.000 1.063 131 E CB -0.050 29.592 29.700 -0.097 0.000 1.080 131 E HN 0.398 nan 8.360 nan 0.000 0.512 132 F N 2.378 122.187 119.950 -0.235 0.000 2.907 132 F HA -0.287 4.240 4.527 0.000 0.000 0.244 132 F C 0.014 175.624 175.800 -0.318 0.000 1.007 132 F CA -0.244 57.567 58.000 -0.315 0.000 0.872 132 F CB -1.312 37.389 39.000 -0.498 0.000 0.767 132 F HN -0.015 nan 8.300 nan 0.000 0.837 133 R N 0.718 121.063 120.500 -0.258 0.000 2.538 133 R HA -0.046 4.294 4.340 0.000 0.000 0.282 133 R C -1.416 174.480 176.300 -0.673 0.000 1.009 133 R CA -1.017 54.679 56.100 -0.674 0.000 1.063 133 R CB -0.017 29.577 30.300 -1.177 0.000 0.945 133 R HN 0.022 nan 8.270 nan 0.000 0.414 134 P HA -0.249 nan 4.420 nan 0.000 0.216 134 P C 0.886 178.123 177.300 -0.104 0.000 1.167 134 P CA 1.700 64.683 63.100 -0.194 0.000 0.914 134 P CB -0.112 31.588 31.700 -0.000 0.000 0.793 135 W N 0.591 121.901 121.300 0.015 0.000 2.353 135 W HA -0.094 4.566 4.660 0.000 0.000 0.319 135 W C 1.896 178.416 176.519 0.002 0.000 1.207 135 W CA 1.135 58.483 57.345 0.005 0.000 1.291 135 W CB -1.799 27.665 29.460 0.007 0.000 1.159 135 W HN -0.044 nan 8.180 nan 0.000 0.478 136 E N 0.707 120.782 120.200 -0.209 0.000 2.114 136 E HA -0.254 4.096 4.350 0.000 0.000 0.199 136 E C 2.180 178.737 176.600 -0.070 0.000 1.008 136 E CA 2.269 58.630 56.400 -0.064 0.000 0.810 136 E CB -0.500 29.101 29.700 -0.166 0.000 0.739 136 E HN 0.265 nan 8.360 nan 0.000 0.456 137 V N 0.919 120.749 119.914 -0.140 0.000 2.453 137 V HA -0.204 3.917 4.120 0.000 0.000 0.247 137 V C 2.268 178.307 176.094 -0.093 0.000 1.048 137 V CA 2.015 64.231 62.300 -0.140 0.000 1.049 137 V CB -0.512 31.201 31.823 -0.182 0.000 0.672 137 V HN 0.324 nan 8.190 nan 0.000 0.457 138 T N -0.386 114.146 114.554 -0.037 0.000 2.777 138 T HA -0.161 4.189 4.350 0.000 0.000 0.266 138 T C 1.614 176.309 174.700 -0.007 0.000 1.040 138 T CA 1.529 63.622 62.100 -0.012 0.000 1.141 138 T CB -0.349 68.542 68.868 0.038 0.000 0.868 138 T HN 0.475 nan 8.240 nan 0.000 0.444 139 D N 1.005 121.420 120.400 0.024 0.000 2.218 139 D HA -0.037 4.603 4.640 0.000 0.000 0.204 139 D C 1.981 178.273 176.300 -0.013 0.000 0.976 139 D CA 0.527 54.540 54.000 0.022 0.000 0.853 139 D CB -0.234 40.602 40.800 0.060 0.000 0.939 139 D HN 0.223 nan 8.370 nan 0.000 0.481 140 L N 0.922 122.122 121.223 -0.038 0.000 2.095 140 L HA -0.077 4.263 4.340 0.000 0.000 0.204 140 L C 2.144 178.956 176.870 -0.097 0.000 1.080 140 L CA 1.420 56.220 54.840 -0.066 0.000 0.759 140 L CB -0.545 41.462 42.059 -0.086 0.000 0.914 140 L HN -0.111 nan 8.230 nan 0.000 0.439 141 Q N 0.562 120.294 119.800 -0.112 0.000 2.133 141 Q HA -0.200 4.140 4.340 0.000 0.000 0.208 141 Q C -0.503 175.425 176.000 -0.120 0.000 0.991 141 Q CA 2.329 58.050 55.803 -0.137 0.000 0.867 141 Q CB -1.580 27.082 28.738 -0.127 0.000 0.911 141 Q HN 0.511 nan 8.270 nan 0.000 0.417 142 P HA -0.205 nan 4.420 nan 0.000 0.222 142 P C 1.021 178.274 177.300 -0.078 0.000 1.142 142 P CA 1.323 64.379 63.100 -0.073 0.000 0.788 142 P CB 0.109 31.780 31.700 -0.049 0.000 0.767 143 Q N 0.433 120.181 119.800 -0.086 0.000 2.167 143 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 143 Q C 2.282 178.224 176.000 -0.097 0.000 0.970 143 Q CA 1.158 56.913 55.803 -0.080 0.000 0.855 143 Q CB -1.205 27.486 28.738 -0.077 0.000 0.911 143 Q HN 0.205 nan 8.270 nan 0.000 0.438 144 L N 0.185 121.312 121.223 -0.159 0.000 2.129 144 L HA -0.239 4.101 4.340 0.000 0.000 0.212 144 L C 2.486 179.300 176.870 -0.094 0.000 1.087 144 L CA 1.656 56.370 54.840 -0.209 0.000 0.757 144 L CB -0.488 41.370 42.059 -0.335 0.000 0.896 144 L HN 0.240 nan 8.230 nan 0.000 0.434 145 K N -0.168 120.173 120.400 -0.098 0.000 2.057 145 K HA -0.152 4.168 4.320 0.000 0.000 0.207 145 K C 1.999 178.552 176.600 -0.079 0.000 1.049 145 K CA 1.288 57.521 56.287 -0.090 0.000 0.931 145 K CB 0.048 32.498 32.500 -0.082 0.000 0.714 145 K HN 0.060 nan 8.250 nan 0.000 0.440 146 V N 1.237 121.115 119.914 -0.060 0.000 2.221 146 V HA -0.254 3.866 4.120 0.000 0.000 0.242 146 V C 1.935 178.007 176.094 -0.036 0.000 1.041 146 V CA 2.296 64.569 62.300 -0.047 0.000 0.995 146 V CB -0.611 31.190 31.823 -0.036 0.000 0.635 146 V HN 0.472 nan 8.190 nan 0.000 0.448 147 D N 0.003 120.398 120.400 -0.008 0.000 2.191 147 D HA -0.312 4.328 4.640 0.000 0.000 0.190 147 D C 2.168 178.466 176.300 -0.003 0.000 1.007 147 D CA 2.246 56.269 54.000 0.037 0.000 0.865 147 D CB -0.197 40.685 40.800 0.137 0.000 0.929 147 D HN 0.409 nan 8.370 nan 0.000 0.447 148 K N -0.606 119.789 120.400 -0.008 0.000 2.148 148 K HA -0.066 4.254 4.320 0.000 0.000 0.204 148 K C 1.982 178.457 176.600 -0.209 0.000 1.050 148 K CA 1.119 57.302 56.287 -0.173 0.000 0.942 148 K CB -0.174 32.258 32.500 -0.113 0.000 0.724 148 K HN 0.181 nan 8.250 nan 0.000 0.446 149 A N 0.893 123.631 122.820 -0.137 0.000 1.930 149 A HA -0.105 4.215 4.320 0.000 0.000 0.217 149 A C 2.213 179.775 177.584 -0.038 0.000 1.175 149 A CA 1.661 53.639 52.037 -0.097 0.000 0.627 149 A CB -0.739 18.215 19.000 -0.078 0.000 0.815 149 A HN 0.300 nan 8.150 nan 0.000 0.443 150 V N -2.516 117.373 119.914 -0.042 0.000 2.453 150 V HA 0.035 4.155 4.120 0.000 0.000 0.247 150 V C 2.480 178.555 176.094 -0.031 0.000 1.048 150 V CA 1.637 63.922 62.300 -0.025 0.000 1.049 150 V CB -1.368 30.442 31.823 -0.022 0.000 0.672 150 V HN 0.489 nan 8.190 nan 0.000 0.457 151 A N 0.367 123.138 122.820 -0.082 0.000 1.865 151 A HA -0.108 4.212 4.320 0.000 0.000 0.217 151 A C 1.842 179.380 177.584 -0.076 0.000 1.191 151 A CA 2.036 53.989 52.037 -0.141 0.000 0.623 151 A CB -1.156 17.553 19.000 -0.486 0.000 0.826 151 A HN 0.568 nan 8.150 nan 0.000 0.444 152 F N 1.059 120.849 119.950 -0.267 0.000 2.754 152 F HA -0.054 4.473 4.527 0.000 0.000 0.298 152 F C 2.259 177.988 175.800 -0.119 0.000 1.234 152 F CA 0.726 58.617 58.000 -0.181 0.000 1.460 152 F CB -0.379 38.520 39.000 -0.170 0.000 1.120 152 F HN 0.393 nan 8.300 nan 0.000 0.592 153 Q N -0.781 119.038 119.800 0.032 0.000 2.311 153 Q HA 0.002 4.342 4.340 0.000 0.000 0.203 153 Q C 0.392 176.383 176.000 -0.015 0.000 0.954 153 Q CA 0.628 56.441 55.803 0.017 0.000 0.885 153 Q CB 0.000 28.744 28.738 0.010 0.000 0.963 153 Q HN 0.229 nan 8.270 nan 0.000 0.471 154 S N 1.641 117.305 115.700 -0.061 0.000 2.422 154 S HA 0.222 4.692 4.470 0.000 0.000 0.308 154 S C -2.154 172.343 174.600 -0.172 0.000 1.097 154 S CA -1.279 56.873 58.200 -0.080 0.000 1.099 154 S CB 1.517 64.681 63.200 -0.060 0.000 0.976 154 S HN -0.038 nan 8.310 nan 0.000 0.471 155 P HA -0.213 nan 4.420 nan 0.000 0.218 155 P C 1.752 178.877 177.300 -0.291 0.000 1.148 155 P CA 0.794 63.647 63.100 -0.411 0.000 0.822 155 P CB 0.123 31.358 31.700 -0.774 0.000 0.784 156 Q N 0.052 119.784 119.800 -0.114 0.000 2.142 156 Q HA -0.238 4.102 4.340 0.000 0.000 0.213 156 Q C 1.919 177.905 176.000 -0.024 0.000 1.004 156 Q CA 2.108 57.954 55.803 0.072 0.000 0.883 156 Q CB -0.870 27.876 28.738 0.013 0.000 0.939 156 Q HN 0.142 nan 8.270 nan 0.000 0.413 157 V N 0.235 120.050 119.914 -0.166 0.000 2.809 157 V HA -0.051 4.069 4.120 0.000 0.000 0.256 157 V C 1.967 177.787 176.094 -0.457 0.000 1.080 157 V CA 1.848 63.987 62.300 -0.268 0.000 1.102 157 V CB -0.370 31.246 31.823 -0.344 0.000 0.705 157 V HN 0.561 nan 8.190 nan 0.000 0.475 158 G N 0.056 108.563 108.800 -0.489 0.000 2.394 158 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 158 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 158 G C 1.667 176.447 174.900 -0.199 0.000 1.176 158 G CA 1.353 46.187 45.100 -0.443 0.000 0.786 158 G HN 0.674 nan 8.290 nan 0.000 0.533 159 V N -0.609 119.216 119.914 -0.149 0.000 2.515 159 V HA 0.031 4.151 4.120 0.000 0.000 0.250 159 V C 2.652 178.698 176.094 -0.080 0.000 1.058 159 V CA 1.136 63.363 62.300 -0.122 0.000 1.064 159 V CB -0.575 31.140 31.823 -0.180 0.000 0.675 159 V HN 0.296 nan 8.190 nan 0.000 0.461 160 L N -0.365 120.834 121.223 -0.040 0.000 2.093 160 L HA -0.073 4.267 4.340 0.000 0.000 0.208 160 L C 3.082 180.001 176.870 0.082 0.000 1.085 160 L CA 1.747 56.614 54.840 0.044 0.000 0.755 160 L CB -0.704 41.393 42.059 0.063 0.000 0.904 160 L HN 0.370 nan 8.230 nan 0.000 0.435 161 E N 0.384 120.581 120.200 -0.005 0.000 2.031 161 E HA -0.180 4.170 4.350 0.000 0.000 0.193 161 E C 1.836 178.492 176.600 0.094 0.000 0.994 161 E CA 1.030 57.448 56.400 0.030 0.000 0.800 161 E CB -0.324 29.416 29.700 0.067 0.000 0.752 161 E HN 0.522 nan 8.360 nan 0.000 0.447 162 N N 0.909 119.649 118.700 0.066 0.000 2.453 162 N HA -0.123 4.618 4.740 0.000 0.000 0.183 162 N C 1.886 177.435 175.510 0.066 0.000 1.041 162 N CA 0.328 53.419 53.050 0.068 0.000 0.900 162 N CB -0.049 38.451 38.487 0.022 0.000 0.961 162 N HN 0.073 nan 8.380 nan 0.000 0.443 163 L N 1.035 122.308 121.223 0.082 0.000 1.993 163 L HA -0.066 4.274 4.340 0.000 0.000 0.206 163 L C 1.663 178.629 176.870 0.160 0.000 1.074 163 L CA 1.828 56.706 54.840 0.062 0.000 0.746 163 L CB -0.961 41.129 42.059 0.051 0.000 0.896 163 L HN 0.076 nan 8.230 nan 0.000 0.435 164 H N -0.571 118.574 119.070 0.124 0.000 2.538 164 H HA -0.076 4.480 4.556 0.000 0.000 0.294 164 H C 1.936 177.382 175.328 0.197 0.000 1.083 164 H CA 1.109 57.267 56.048 0.184 0.000 1.233 164 H CB -0.357 29.446 29.762 0.068 0.000 1.360 164 H HN 0.497 nan 8.280 nan 0.000 0.571 165 A N -0.324 122.654 122.820 0.263 0.000 2.030 165 A HA 0.334 4.654 4.320 0.000 0.000 0.215 165 A C 2.273 180.052 177.584 0.325 0.000 1.164 165 A CA 0.824 53.017 52.037 0.258 0.000 0.697 165 A CB -0.140 18.983 19.000 0.205 0.000 0.827 165 A HN 0.415 nan 8.150 nan 0.000 0.457 166 A N -0.820 122.083 122.820 0.139 0.000 2.115 166 A HA 0.553 4.873 4.320 0.000 0.000 0.211 166 A C 2.111 179.539 177.584 -0.261 0.000 1.169 166 A CA 1.050 53.005 52.037 -0.137 0.000 0.787 166 A CB -0.393 18.430 19.000 -0.295 0.000 0.858 166 A HN 0.811 nan 8.150 nan 0.000 0.474 167 A N -1.558 121.168 122.820 -0.156 0.000 2.169 167 A HA 0.437 4.757 4.320 0.000 0.000 0.212 167 A C 0.486 177.609 177.584 -0.768 0.000 1.153 167 A CA 0.597 52.315 52.037 -0.532 0.000 0.756 167 A CB -0.185 18.649 19.000 -0.278 0.000 0.813 167 A HN 0.453 nan 8.150 nan 0.000 0.471 168 Y N -2.408 117.847 120.300 -0.075 0.000 2.705 168 Y HA 0.493 5.043 4.550 0.000 0.000 0.332 168 Y C 0.798 176.797 175.900 0.165 0.000 1.157 168 Y CA -1.038 57.075 58.100 0.020 0.000 1.091 168 Y CB 1.379 39.843 38.460 0.006 0.000 1.301 168 Y HN -0.143 nan 8.280 nan 0.000 0.488 169 K N -0.273 120.278 120.400 0.252 0.000 2.440 169 K HA 0.305 4.625 4.320 0.000 0.000 0.207 169 K C -0.661 175.978 176.600 0.065 0.000 1.112 169 K CA 0.468 56.800 56.287 0.074 0.000 1.036 169 K CB 1.103 33.601 32.500 -0.003 0.000 0.935 169 K HN 0.847 nan 8.250 nan 0.000 0.564 170 T N -4.303 110.325 114.554 0.123 0.000 2.658 170 T HA 0.503 4.853 4.350 0.000 0.000 0.306 170 T C 0.676 175.382 174.700 0.009 0.000 1.544 170 T CA -0.405 61.728 62.100 0.055 0.000 0.991 170 T CB 0.987 69.875 68.868 0.034 0.000 1.774 170 T HN -0.074 nan 8.240 nan 0.000 0.479 171 A N 0.451 123.247 122.820 -0.041 0.000 1.334 171 A HA -0.282 4.038 4.320 0.000 0.000 0.379 171 A C 1.877 179.350 177.584 -0.186 0.000 4.765 171 A CA 2.805 54.771 52.037 -0.119 0.000 1.090 171 A CB -2.275 16.630 19.000 -0.159 0.000 1.457 171 A HN 1.055 nan 8.150 nan 0.000 0.717 172 L N -1.001 120.027 121.223 -0.325 0.000 2.291 172 L HA 0.048 4.388 4.340 0.000 0.000 0.214 172 L C 2.879 179.564 176.870 -0.310 0.000 1.120 172 L CA 0.941 55.463 54.840 -0.531 0.000 0.799 172 L CB -0.506 40.846 42.059 -1.177 0.000 0.925 172 L HN 0.705 nan 8.230 nan 0.000 0.446 173 A N -0.604 122.139 122.820 -0.128 0.000 2.168 173 A HA -0.053 4.267 4.320 0.000 0.000 0.215 173 A C 0.786 178.400 177.584 0.051 0.000 1.152 173 A CA 0.395 52.478 52.037 0.076 0.000 0.716 173 A CB -0.471 18.629 19.000 0.165 0.000 0.794 173 A HN 0.326 nan 8.150 nan 0.000 0.465 174 N N 1.521 120.214 118.700 -0.011 0.000 2.497 174 N HA 0.234 4.974 4.740 0.000 0.000 0.268 174 N C -2.654 172.840 175.510 -0.027 0.000 1.171 174 N CA -1.537 51.510 53.050 -0.004 0.000 0.948 174 N CB 0.529 39.010 38.487 -0.010 0.000 1.069 174 N HN 0.284 nan 8.380 nan 0.000 0.460 175 P HA -0.033 nan 4.420 nan 0.000 0.269 175 P C 0.671 177.925 177.300 -0.077 0.000 1.215 175 P CA -0.395 62.702 63.100 -0.006 0.000 0.780 175 P CB 1.022 32.758 31.700 0.060 0.000 0.898 176 L N 2.277 123.411 121.223 -0.149 0.000 2.341 176 L HA 0.165 4.505 4.340 0.000 0.000 0.214 176 L C 0.257 176.785 176.870 -0.571 0.000 1.115 176 L CA 0.802 55.428 54.840 -0.357 0.000 0.820 176 L CB -0.786 40.993 42.059 -0.466 0.000 0.944 176 L HN 0.264 nan 8.230 nan 0.000 0.452 177 Y N -1.372 118.867 120.300 -0.101 0.000 2.341 177 Y HA 0.287 4.837 4.550 0.000 0.000 0.338 177 Y C 0.529 176.462 175.900 0.055 0.000 0.965 177 Y CA -0.976 57.026 58.100 -0.163 0.000 1.108 177 Y CB 0.977 39.426 38.460 -0.018 0.000 1.180 177 Y HN -0.160 nan 8.280 nan 0.000 0.458 178 C N 8.068 127.641 119.300 0.455 0.000 2.155 178 C HA -0.012 4.448 4.460 0.000 0.000 0.396 178 C C -1.660 173.337 174.990 0.012 0.000 1.545 178 C CA -1.264 57.850 59.018 0.161 0.000 1.442 178 C CB -0.725 27.045 27.740 0.050 0.000 2.553 178 C HN 0.535 nan 8.230 nan 0.000 0.598 179 P HA 0.116 nan 4.420 nan 0.000 0.269 179 P C 0.439 177.598 177.300 -0.234 0.000 1.215 179 P CA 0.285 63.284 63.100 -0.168 0.000 0.780 179 P CB 0.611 32.159 31.700 -0.254 0.000 0.898 180 D N 1.326 121.637 120.400 -0.149 0.000 2.108 180 D HA -0.237 4.403 4.640 0.000 0.000 0.190 180 D C 1.810 178.057 176.300 -0.088 0.000 0.995 180 D CA 1.929 55.865 54.000 -0.106 0.000 0.834 180 D CB -1.456 39.313 40.800 -0.051 0.000 0.967 180 D HN 0.611 nan 8.370 nan 0.000 0.446 181 Y N 0.519 120.799 120.300 -0.033 0.000 2.348 181 Y HA -0.116 4.434 4.550 0.000 0.000 0.285 181 Y C 1.674 177.556 175.900 -0.030 0.000 1.173 181 Y CA 1.184 59.267 58.100 -0.028 0.000 1.263 181 Y CB -0.518 37.930 38.460 -0.019 0.000 0.974 181 Y HN -0.116 nan 8.280 nan 0.000 0.547 182 R N 0.515 120.725 120.500 -0.483 0.000 2.317 182 R HA 0.183 4.523 4.340 0.000 0.000 0.208 182 R C -0.069 176.122 176.300 -0.183 0.000 0.914 182 R CA -0.220 55.682 56.100 -0.329 0.000 1.060 182 R CB 0.177 30.167 30.300 -0.517 0.000 1.015 182 R HN 0.239 nan 8.270 nan 0.000 0.498 183 I N 1.111 121.589 120.570 -0.153 0.000 2.598 183 I HA -0.022 4.148 4.170 0.000 0.000 0.284 183 I C 1.461 177.523 176.117 -0.091 0.000 1.140 183 I CA 1.163 62.385 61.300 -0.130 0.000 1.420 183 I CB 0.348 38.280 38.000 -0.114 0.000 1.387 183 I HN 0.496 nan 8.210 nan 0.000 0.553 184 G N 6.167 114.906 108.800 -0.101 0.000 2.225 184 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 184 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 184 G C 0.989 175.854 174.900 -0.059 0.000 0.988 184 G CA 0.101 45.157 45.100 -0.073 0.000 0.625 184 G HN 0.597 nan 8.290 nan 0.000 0.527 185 K N -0.079 120.286 120.400 -0.059 0.000 2.372 185 K HA 0.439 4.759 4.320 0.000 0.000 0.200 185 K C 1.000 177.567 176.600 -0.055 0.000 1.022 185 K CA -0.256 56.010 56.287 -0.034 0.000 1.125 185 K CB 0.437 32.942 32.500 0.008 0.000 0.855 185 K HN 0.475 nan 8.250 nan 0.000 0.524 186 I N 1.255 121.767 120.570 -0.097 0.000 2.764 186 I HA 0.043 4.213 4.170 0.000 0.000 0.294 186 I C 0.756 176.803 176.117 -0.118 0.000 1.045 186 I CA -0.200 61.028 61.300 -0.122 0.000 1.340 186 I CB 1.279 39.171 38.000 -0.180 0.000 1.436 186 I HN 0.048 nan 8.210 nan 0.000 0.567 187 T N -0.650 113.829 114.554 -0.125 0.000 2.901 187 T HA 0.257 4.607 4.350 0.000 0.000 0.293 187 T C 0.523 175.136 174.700 -0.146 0.000 1.084 187 T CA -0.719 61.314 62.100 -0.111 0.000 1.008 187 T CB 1.662 70.490 68.868 -0.067 0.000 1.170 187 T HN 0.423 nan 8.240 nan 0.000 0.509 188 S N 0.449 116.086 115.700 -0.106 0.000 2.419 188 S HA -0.096 4.374 4.470 0.000 0.000 0.235 188 S C 1.649 176.256 174.600 0.012 0.000 1.019 188 S CA 1.636 59.798 58.200 -0.064 0.000 0.982 188 S CB -0.495 62.719 63.200 0.024 0.000 0.789 188 S HN 0.812 nan 8.310 nan 0.000 0.490 189 E N 1.587 121.750 120.200 -0.061 0.000 1.998 189 E HA -0.128 4.222 4.350 0.000 0.000 0.196 189 E C 2.285 178.683 176.600 -0.338 0.000 1.003 189 E CA 1.154 57.404 56.400 -0.250 0.000 0.829 189 E CB -0.468 29.086 29.700 -0.244 0.000 0.777 189 E HN 0.460 nan 8.360 nan 0.000 0.460 190 Q N 0.125 119.807 119.800 -0.197 0.000 2.182 190 Q HA -0.260 4.080 4.340 0.000 0.000 0.213 190 Q C 2.326 178.305 176.000 -0.035 0.000 1.000 190 Q CA 1.623 57.379 55.803 -0.079 0.000 0.889 190 Q CB -0.467 28.234 28.738 -0.063 0.000 0.932 190 Q HN 0.280 nan 8.270 nan 0.000 0.415 191 L N -0.961 120.177 121.223 -0.142 0.000 1.994 191 L HA -0.221 4.119 4.340 0.000 0.000 0.208 191 L C 2.264 179.233 176.870 0.164 0.000 1.071 191 L CA 1.553 56.279 54.840 -0.190 0.000 0.745 191 L CB -0.538 41.039 42.059 -0.802 0.000 0.892 191 L HN 0.315 nan 8.230 nan 0.000 0.431 192 H N -1.383 117.823 119.070 0.226 0.000 2.265 192 H HA -0.208 4.348 4.556 0.000 0.000 0.295 192 H C 2.465 177.899 175.328 0.176 0.000 1.084 192 H CA 1.937 58.093 56.048 0.180 0.000 1.261 192 H CB 0.027 29.820 29.762 0.053 0.000 1.360 192 H HN 0.314 nan 8.280 nan 0.000 0.487 193 H N -0.688 118.518 119.070 0.227 0.000 2.319 193 H HA -0.170 4.386 4.556 0.000 0.000 0.297 193 H C 2.178 177.556 175.328 0.084 0.000 1.097 193 H CA 1.475 57.594 56.048 0.119 0.000 1.285 193 H CB -1.029 28.793 29.762 0.100 0.000 1.368 193 H HN 0.328 nan 8.280 nan 0.000 0.495 194 F N 1.025 121.033 119.950 0.097 0.000 2.091 194 F HA -0.251 4.276 4.527 0.000 0.000 0.299 194 F C 2.421 178.142 175.800 -0.132 0.000 1.103 194 F CA 1.255 59.245 58.000 -0.016 0.000 1.228 194 F CB -0.455 38.503 39.000 -0.070 0.000 0.984 194 F HN -0.084 nan 8.300 nan 0.000 0.477 195 V N 0.337 120.251 119.914 0.001 0.000 2.295 195 V HA -0.335 3.785 4.120 0.000 0.000 0.246 195 V C 2.210 178.207 176.094 -0.162 0.000 1.049 195 V CA 2.344 64.434 62.300 -0.350 0.000 1.024 195 V CB -0.845 30.823 31.823 -0.258 0.000 0.648 195 V HN 0.415 nan 8.190 nan 0.000 0.447 196 Q N 0.028 119.821 119.800 -0.011 0.000 2.226 196 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 196 Q C 1.603 177.591 176.000 -0.020 0.000 0.975 196 Q CA 1.203 57.015 55.803 0.016 0.000 0.866 196 Q CB -0.210 28.567 28.738 0.064 0.000 0.915 196 Q HN 0.622 nan 8.270 nan 0.000 0.440 197 N N -0.254 118.404 118.700 -0.071 0.000 2.280 197 N HA 0.062 4.802 4.740 0.000 0.000 0.192 197 N C 0.532 175.946 175.510 -0.160 0.000 1.109 197 N CA 0.351 53.340 53.050 -0.103 0.000 0.855 197 N CB 0.452 38.874 38.487 -0.107 0.000 0.974 197 N HN 0.319 nan 8.380 nan 0.000 0.482 198 N N -0.565 118.027 118.700 -0.181 0.000 2.372 198 N HA 0.072 4.812 4.740 0.000 0.000 0.242 198 N C -0.420 175.171 175.510 0.135 0.000 1.124 198 N CA -0.041 52.915 53.050 -0.156 0.000 0.824 198 N CB 0.264 38.474 38.487 -0.462 0.000 1.468 198 N HN -0.042 nan 8.380 nan 0.000 0.470 199 F N 3.533 123.407 119.950 -0.126 0.000 2.651 199 F HA 0.164 4.691 4.527 0.000 0.000 0.369 199 F C 0.922 176.690 175.800 -0.054 0.000 1.187 199 F CA -0.469 57.488 58.000 -0.072 0.000 1.335 199 F CB -1.180 37.790 39.000 -0.049 0.000 1.707 199 F HN -0.171 nan 8.300 nan 0.000 0.637 200 T N -3.510 111.103 114.554 0.098 0.000 2.824 200 T HA 0.274 4.624 4.350 0.000 0.000 0.280 200 T C 1.323 176.037 174.700 0.024 0.000 0.995 200 T CA -0.175 61.953 62.100 0.048 0.000 1.009 200 T CB 1.687 70.571 68.868 0.027 0.000 0.955 200 T HN 0.288 nan 8.240 nan 0.000 0.452 201 S N 2.575 118.287 115.700 0.020 0.000 2.421 201 S HA -0.266 4.204 4.470 0.000 0.000 0.239 201 S C 2.067 176.674 174.600 0.012 0.000 1.054 201 S CA 1.134 59.342 58.200 0.012 0.000 1.035 201 S CB -1.054 62.154 63.200 0.013 0.000 0.840 201 S HN 1.182 nan 8.310 nan 0.000 0.475 202 A N 0.853 123.682 122.820 0.015 0.000 2.238 202 A HA 0.310 4.630 4.320 0.000 0.000 0.208 202 A C 2.052 179.649 177.584 0.022 0.000 1.177 202 A CA 0.179 52.227 52.037 0.018 0.000 0.804 202 A CB -0.176 18.836 19.000 0.020 0.000 0.823 202 A HN 0.632 nan 8.150 nan 0.000 0.482 203 R N -1.635 118.874 120.500 0.016 0.000 2.509 203 R HA 0.383 4.723 4.340 0.000 0.000 0.297 203 R C -0.357 175.945 176.300 0.003 0.000 0.951 203 R CA 0.005 56.115 56.100 0.016 0.000 1.103 203 R CB 0.415 30.717 30.300 0.004 0.000 1.283 203 R HN 0.411 nan 8.270 nan 0.000 0.534 204 M N 0.418 120.015 119.600 -0.005 0.000 2.508 204 M HA 0.580 5.060 4.480 0.000 0.000 0.327 204 M C -0.828 175.481 176.300 0.015 0.000 1.160 204 M CA -0.797 54.495 55.300 -0.013 0.000 0.980 204 M CB 2.386 34.954 32.600 -0.054 0.000 1.693 204 M HN -0.054 nan 8.290 nan 0.000 0.452 205 A N 2.323 125.171 122.820 0.047 0.000 2.393 205 A HA 0.762 5.082 4.320 0.000 0.000 0.306 205 A C -1.582 176.043 177.584 0.068 0.000 1.050 205 A CA -0.621 51.431 52.037 0.025 0.000 0.724 205 A CB 1.307 20.285 19.000 -0.036 0.000 1.248 205 A HN 0.788 nan 8.150 nan 0.000 0.424 206 L N 4.228 125.466 121.223 0.026 0.000 2.417 206 L HA 0.502 4.842 4.340 0.000 0.000 0.258 206 L C -0.457 176.419 176.870 0.010 0.000 1.088 206 L CA -0.105 54.763 54.840 0.047 0.000 0.975 206 L CB 0.276 42.343 42.059 0.013 0.000 1.341 206 L HN 0.466 nan 8.230 nan 0.000 0.431 207 V N 2.129 122.059 119.914 0.027 0.000 3.264 207 V HA 0.779 4.899 4.120 0.000 0.000 0.304 207 V C 0.934 177.050 176.094 0.037 0.000 1.086 207 V CA -0.016 62.263 62.300 -0.035 0.000 1.090 207 V CB 1.138 32.853 31.823 -0.179 0.000 1.112 207 V HN 0.822 nan 8.190 nan 0.000 0.472 208 G N 1.687 110.492 108.800 0.009 0.000 3.411 208 G HA2 0.380 4.340 3.960 0.000 0.000 0.298 208 G HA3 0.380 4.340 3.960 0.000 0.000 0.298 208 G C -0.954 173.940 174.900 -0.010 0.000 3.379 208 G CA -0.662 44.445 45.100 0.011 0.000 0.608 208 G HN 0.507 nan 8.290 nan 0.000 0.292 209 I N 0.995 121.567 120.570 0.004 0.000 2.779 209 I HA 0.384 4.554 4.170 0.000 0.000 0.285 209 I C 1.621 177.717 176.117 -0.035 0.000 1.134 209 I CA 1.247 62.537 61.300 -0.018 0.000 1.398 209 I CB 1.191 39.191 38.000 -0.001 0.000 1.404 209 I HN 0.921 nan 8.210 nan 0.000 0.587 210 G N 3.817 112.575 108.800 -0.070 0.000 2.153 210 G HA2 -0.173 3.787 3.960 0.000 0.000 0.252 210 G HA3 -0.173 3.787 3.960 0.000 0.000 0.252 210 G C -0.124 174.708 174.900 -0.113 0.000 0.994 210 G CA 0.240 45.285 45.100 -0.092 0.000 0.698 210 G HN 0.858 nan 8.290 nan 0.000 0.521 211 V N -4.027 115.818 119.914 -0.115 0.000 3.114 211 V HA 0.828 4.949 4.120 0.000 0.000 0.308 211 V C 0.077 176.105 176.094 -0.110 0.000 1.168 211 V CA -1.338 60.898 62.300 -0.107 0.000 1.015 211 V CB 1.947 33.728 31.823 -0.071 0.000 1.050 211 V HN 0.403 nan 8.190 nan 0.000 0.433 212 K N 0.292 120.639 120.400 -0.089 0.000 2.249 212 K HA 0.291 4.611 4.320 0.000 0.000 0.280 212 K C 0.919 177.513 176.600 -0.009 0.000 1.033 212 K CA -0.208 56.049 56.287 -0.049 0.000 0.946 212 K CB 0.745 33.224 32.500 -0.034 0.000 1.005 212 K HN 0.972 nan 8.250 nan 0.000 0.469 213 H N 1.936 120.975 119.070 -0.051 0.000 2.390 213 H HA -0.198 4.358 4.556 0.000 0.000 0.298 213 H C 1.889 177.206 175.328 -0.020 0.000 1.106 213 H CA 2.821 58.848 56.048 -0.035 0.000 1.297 213 H CB 0.285 30.027 29.762 -0.034 0.000 1.375 213 H HN 0.777 nan 8.280 nan 0.000 0.509 214 S N -0.376 115.380 115.700 0.094 0.000 2.382 214 S HA -0.181 4.289 4.470 0.000 0.000 0.228 214 S C 1.786 176.383 174.600 -0.006 0.000 1.027 214 S CA 1.400 59.633 58.200 0.055 0.000 0.991 214 S CB -0.098 63.134 63.200 0.053 0.000 0.823 214 S HN 0.482 nan 8.310 nan 0.000 0.469 215 D N 1.574 121.961 120.400 -0.021 0.000 2.097 215 D HA -0.032 4.608 4.640 0.000 0.000 0.197 215 D C 1.983 178.251 176.300 -0.054 0.000 0.984 215 D CA 1.075 55.058 54.000 -0.028 0.000 0.826 215 D CB -0.482 40.300 40.800 -0.030 0.000 0.973 215 D HN 0.379 nan 8.370 nan 0.000 0.460 216 L N 1.480 122.641 121.223 -0.103 0.000 2.131 216 L HA -0.129 4.211 4.340 0.000 0.000 0.210 216 L C 2.066 178.853 176.870 -0.137 0.000 1.092 216 L CA 1.647 56.411 54.840 -0.127 0.000 0.759 216 L CB -0.445 41.507 42.059 -0.179 0.000 0.903 216 L HN -0.126 nan 8.230 nan 0.000 0.435 217 K N -0.803 119.492 120.400 -0.174 0.000 2.007 217 K HA -0.244 4.076 4.320 0.000 0.000 0.206 217 K C 2.209 178.794 176.600 -0.024 0.000 1.047 217 K CA 1.608 57.825 56.287 -0.117 0.000 0.937 217 K CB -0.308 32.142 32.500 -0.084 0.000 0.718 217 K HN 0.516 nan 8.250 nan 0.000 0.438 218 Q N 0.559 120.359 119.800 0.000 0.000 2.152 218 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 218 Q C 1.827 177.886 176.000 0.100 0.000 0.985 218 Q CA 1.977 57.805 55.803 0.043 0.000 0.863 218 Q CB -0.017 28.749 28.738 0.046 0.000 0.904 218 Q HN 0.240 nan 8.270 nan 0.000 0.422 219 V N 1.077 121.039 119.914 0.080 0.000 2.223 219 V HA -0.295 3.825 4.120 0.000 0.000 0.244 219 V C 2.447 178.640 176.094 0.166 0.000 1.045 219 V CA 1.937 64.311 62.300 0.125 0.000 1.000 219 V CB -1.410 30.411 31.823 -0.003 0.000 0.635 219 V HN 0.577 nan 8.190 nan 0.000 0.445 220 A N -0.798 122.062 122.820 0.066 0.000 1.997 220 A HA -0.297 4.023 4.320 0.000 0.000 0.221 220 A C 2.036 179.661 177.584 0.069 0.000 1.172 220 A CA 2.296 54.366 52.037 0.054 0.000 0.645 220 A CB -0.481 18.523 19.000 0.007 0.000 0.813 220 A HN 0.715 nan 8.150 nan 0.000 0.454 221 E N -1.256 118.982 120.200 0.064 0.000 1.999 221 E HA -0.180 4.170 4.350 0.000 0.000 0.198 221 E C 2.121 178.717 176.600 -0.007 0.000 0.960 221 E CA 0.750 57.166 56.400 0.027 0.000 0.870 221 E CB -0.351 29.357 29.700 0.013 0.000 0.827 221 E HN 0.689 nan 8.360 nan 0.000 0.511 222 Q N -0.293 119.468 119.800 -0.065 0.000 2.344 222 Q HA -0.230 4.110 4.340 0.000 0.000 0.212 222 Q C 1.385 177.071 176.000 -0.523 0.000 0.991 222 Q CA 1.576 57.198 55.803 -0.301 0.000 0.897 222 Q CB -0.002 28.480 28.738 -0.426 0.000 0.915 222 Q HN 0.216 nan 8.270 nan 0.000 0.438 223 F N -0.435 119.502 119.950 -0.022 0.000 2.479 223 F HA 0.191 4.718 4.527 0.000 0.000 0.280 223 F C 0.615 176.402 175.800 -0.022 0.000 0.982 223 F CA -0.442 57.543 58.000 -0.024 0.000 1.276 223 F CB 0.003 38.984 39.000 -0.030 0.000 1.137 223 F HN -0.162 nan 8.300 nan 0.000 0.660 224 L N 2.925 124.251 121.223 0.171 0.000 2.891 224 L HA -0.148 4.192 4.340 0.000 0.000 0.290 224 L C 0.629 177.526 176.870 0.045 0.000 1.093 224 L CA -0.034 54.857 54.840 0.085 0.000 1.108 224 L CB -0.700 41.393 42.059 0.056 0.000 1.488 224 L HN 0.288 nan 8.230 nan 0.000 0.447 225 N N 3.216 121.940 118.700 0.041 0.000 2.093 225 N HA 0.018 4.758 4.740 0.000 0.000 0.191 225 N C 0.684 176.203 175.510 0.016 0.000 1.062 225 N CA 0.374 53.434 53.050 0.017 0.000 0.854 225 N CB -0.009 38.486 38.487 0.014 0.000 1.043 225 N HN 0.421 nan 8.380 nan 0.000 0.438 226 I N 3.040 123.623 120.570 0.022 0.000 3.650 226 I HA -0.248 3.922 4.170 0.000 0.000 0.313 226 I C 0.974 177.105 176.117 0.023 0.000 1.250 226 I CA 0.303 61.618 61.300 0.025 0.000 1.457 226 I CB -0.686 37.341 38.000 0.045 0.000 1.469 226 I HN 0.338 nan 8.210 nan 0.000 0.532 227 R N 4.529 125.037 120.500 0.013 0.000 2.584 227 R HA 0.398 4.738 4.340 0.000 0.000 0.253 227 R C 0.590 176.897 176.300 0.012 0.000 1.251 227 R CA -0.443 55.663 56.100 0.010 0.000 1.129 227 R CB -0.006 30.296 30.300 0.003 0.000 1.239 227 R HN 0.507 nan 8.270 nan 0.000 0.595 228 S N -1.501 114.204 115.700 0.009 0.000 2.519 228 S HA 0.237 4.707 4.470 0.000 0.000 0.282 228 S C 0.703 175.309 174.600 0.010 0.000 1.322 228 S CA -0.015 58.191 58.200 0.010 0.000 1.024 228 S CB -0.443 62.761 63.200 0.007 0.000 0.777 228 S HN 1.183 nan 8.310 nan 0.000 0.483 229 G N -0.561 108.246 108.800 0.011 0.000 2.351 229 G HA2 0.588 4.548 3.960 0.000 0.000 0.353 229 G HA3 0.588 4.548 3.960 0.000 0.000 0.353 229 G C -0.252 174.657 174.900 0.015 0.000 1.358 229 G CA -0.267 44.839 45.100 0.011 0.000 0.995 229 G HN 1.745 nan 8.290 nan 0.000 0.611 230 A N -1.005 121.825 122.820 0.016 0.000 2.664 230 A HA 0.774 5.094 4.320 0.000 0.000 0.222 230 A C 1.944 179.542 177.584 0.024 0.000 1.320 230 A CA 1.642 53.694 52.037 0.025 0.000 1.029 230 A CB -0.239 18.781 19.000 0.033 0.000 1.318 230 A HN 2.856 nan 8.150 nan 0.000 0.589 231 G N 0.414 109.220 108.800 0.010 0.000 2.522 231 G HA2 -0.260 3.700 3.960 0.000 0.000 0.436 231 G HA3 -0.260 3.700 3.960 0.000 0.000 0.436 231 G C 0.422 175.334 174.900 0.020 0.000 1.353 231 G CA 0.340 45.441 45.100 0.001 0.000 0.917 231 G HN 0.957 nan 8.290 nan 0.000 0.527 232 T N 0.732 115.293 114.554 0.012 0.000 2.830 232 T HA 0.319 4.669 4.350 0.000 0.000 0.282 232 T C 0.573 175.354 174.700 0.135 0.000 1.024 232 T CA 1.140 63.274 62.100 0.057 0.000 1.144 232 T CB 0.040 68.938 68.868 0.050 0.000 1.035 232 T HN 0.796 nan 8.240 nan 0.000 0.507 233 S N 2.604 118.370 115.700 0.109 0.000 2.454 233 S HA 0.423 4.893 4.470 0.000 0.000 0.306 233 S C 0.296 174.913 174.600 0.028 0.000 1.100 233 S CA -0.761 57.502 58.200 0.106 0.000 1.087 233 S CB 1.648 64.882 63.200 0.058 0.000 1.019 233 S HN 0.778 nan 8.310 nan 0.000 0.480 234 S N 2.666 118.302 115.700 -0.107 0.000 2.560 234 S HA 0.403 4.873 4.470 0.000 0.000 0.284 234 S C 0.491 175.003 174.600 -0.148 0.000 1.327 234 S CA -0.622 57.382 58.200 -0.326 0.000 1.055 234 S CB 0.135 62.913 63.200 -0.703 0.000 0.868 234 S HN 0.861 nan 8.310 nan 0.000 0.506 235 A N 5.674 128.426 122.820 -0.114 0.000 2.407 235 A HA 0.347 4.667 4.320 0.000 0.000 0.248 235 A C 0.480 178.039 177.584 -0.042 0.000 1.082 235 A CA -0.421 51.586 52.037 -0.050 0.000 0.785 235 A CB 0.159 19.143 19.000 -0.027 0.000 1.020 235 A HN 0.833 nan 8.150 nan 0.000 0.489 236 K N 0.710 121.107 120.400 -0.004 0.000 2.518 236 K HA 0.109 4.429 4.320 0.000 0.000 0.276 236 K C 0.475 177.108 176.600 0.055 0.000 0.974 236 K CA 0.670 56.972 56.287 0.025 0.000 0.986 236 K CB 0.320 32.845 32.500 0.041 0.000 0.901 236 K HN 0.749 nan 8.250 nan 0.000 0.497 237 A N 3.711 126.588 122.820 0.096 0.000 2.671 237 A HA 0.165 4.485 4.320 0.000 0.000 0.306 237 A C 0.152 177.884 177.584 0.247 0.000 1.473 237 A CA -0.217 51.940 52.037 0.201 0.000 1.155 237 A CB -0.433 18.726 19.000 0.265 0.000 1.123 237 A HN 0.563 nan 8.150 nan 0.000 0.545 238 T N 1.572 116.251 114.554 0.209 0.000 2.860 238 T HA 0.292 4.642 4.350 0.000 0.000 0.299 238 T C -0.386 174.420 174.700 0.177 0.000 1.045 238 T CA 0.532 62.734 62.100 0.171 0.000 1.071 238 T CB 0.400 69.342 68.868 0.123 0.000 0.985 238 T HN 0.497 nan 8.240 nan 0.000 0.537 239 Y N 0.912 121.208 120.300 -0.007 0.000 2.352 239 Y HA 0.394 4.944 4.550 0.000 0.000 0.339 239 Y C -0.157 175.770 175.900 0.045 0.000 0.992 239 Y CA -0.954 57.066 58.100 -0.133 0.000 1.100 239 Y CB 0.981 39.337 38.460 -0.173 0.000 1.192 239 Y HN 0.832 nan 8.280 nan 0.000 0.458 240 W N 4.668 125.794 121.300 -0.290 0.000 2.846 240 W HA 0.303 4.963 4.660 0.000 0.000 0.273 240 W C 0.965 177.491 176.519 0.011 0.000 1.081 240 W CA 1.288 58.583 57.345 -0.084 0.000 1.692 240 W CB -0.254 29.138 29.460 -0.114 0.000 1.106 240 W HN 0.840 nan 8.180 nan 0.000 0.577 241 G N 1.503 110.058 108.800 -0.409 0.000 2.370 241 G HA2 0.070 4.030 3.960 0.000 0.000 0.268 241 G HA3 0.070 4.030 3.960 0.000 0.000 0.268 241 G C 0.162 174.612 174.900 -0.751 0.000 1.122 241 G CA 0.101 45.044 45.100 -0.262 0.000 0.963 241 G HN 0.709 nan 8.290 nan 0.000 0.500 242 G N -0.944 107.074 108.800 -1.304 0.000 2.521 242 G HA2 0.737 4.697 3.960 0.000 0.000 0.323 242 G HA3 0.737 4.697 3.960 0.000 0.000 0.323 242 G C -0.379 174.081 174.900 -0.733 0.000 1.211 242 G CA 0.035 44.198 45.100 -1.561 0.000 0.979 242 G HN 0.712 nan 8.290 nan 0.000 0.490 243 E N -0.225 119.679 120.200 -0.494 0.000 2.244 243 E HA 0.451 4.801 4.350 0.000 0.000 0.260 243 E C -1.185 175.315 176.600 -0.166 0.000 0.884 243 E CA -0.588 55.656 56.400 -0.260 0.000 0.777 243 E CB 1.259 30.868 29.700 -0.152 0.000 1.197 243 E HN 0.312 nan 8.360 nan 0.000 0.416 244 I N 4.814 125.298 120.570 -0.142 0.000 2.355 244 I HA 0.422 4.592 4.170 0.000 0.000 0.288 244 I C -0.109 175.953 176.117 -0.091 0.000 0.999 244 I CA -0.700 60.559 61.300 -0.068 0.000 1.163 244 I CB 1.419 39.405 38.000 -0.024 0.000 1.316 244 I HN 0.398 nan 8.210 nan 0.000 0.454 245 R N 4.648 125.098 120.500 -0.083 0.000 2.589 245 R HA 0.507 4.847 4.340 0.000 0.000 0.293 245 R C -0.652 175.608 176.300 -0.066 0.000 0.963 245 R CA -0.781 55.251 56.100 -0.115 0.000 0.905 245 R CB 2.197 32.388 30.300 -0.182 0.000 1.144 245 R HN 0.511 nan 8.270 nan 0.000 0.459 246 E N 2.448 122.606 120.200 -0.070 0.000 2.331 246 E HA 0.061 4.411 4.350 0.000 0.000 0.243 246 E C -1.301 175.275 176.600 -0.039 0.000 0.925 246 E CA -0.705 55.671 56.400 -0.041 0.000 0.760 246 E CB 1.186 30.864 29.700 -0.037 0.000 1.254 246 E HN 0.291 nan 8.360 nan 0.000 0.419 247 Q N 3.446 123.233 119.800 -0.023 0.000 2.323 247 Q HA 0.148 4.489 4.340 0.000 0.000 0.257 247 Q C -0.359 175.644 176.000 0.006 0.000 1.022 247 Q CA 0.540 56.336 55.803 -0.011 0.000 0.919 247 Q CB 0.323 29.059 28.738 -0.003 0.000 1.220 247 Q HN 0.735 nan 8.270 nan 0.000 0.427 248 N N 2.408 121.118 118.700 0.018 0.000 2.116 248 N HA 0.211 4.951 4.740 0.000 0.000 0.230 248 N C 0.787 176.342 175.510 0.076 0.000 1.326 248 N CA 0.033 53.107 53.050 0.041 0.000 0.867 248 N CB 0.795 39.301 38.487 0.032 0.000 1.174 248 N HN 0.684 nan 8.380 nan 0.000 0.506 249 G N 1.195 110.034 108.800 0.065 0.000 2.320 249 G HA2 -0.338 3.622 3.960 0.000 0.000 0.242 249 G HA3 -0.338 3.622 3.960 0.000 0.000 0.242 249 G C 0.019 174.971 174.900 0.086 0.000 1.033 249 G CA 0.327 45.465 45.100 0.062 0.000 0.620 249 G HN 0.596 nan 8.290 nan 0.000 0.517 250 H N 1.629 120.697 119.070 -0.004 0.000 3.193 250 H HA 0.253 4.809 4.556 0.000 0.000 0.306 250 H C 2.148 177.483 175.328 0.012 0.000 0.960 250 H CA 1.372 57.421 56.048 0.002 0.000 1.375 250 H CB 0.968 30.726 29.762 -0.006 0.000 1.321 250 H HN 0.468 nan 8.280 nan 0.000 0.578 251 S N 3.500 119.219 115.700 0.031 0.000 2.447 251 S HA -0.025 4.445 4.470 0.000 0.000 0.233 251 S C 0.614 175.273 174.600 0.098 0.000 1.006 251 S CA 0.420 58.645 58.200 0.040 0.000 0.957 251 S CB 0.140 63.341 63.200 0.001 0.000 0.773 251 S HN 0.395 nan 8.310 nan 0.000 0.507 252 L N 2.436 123.769 121.223 0.182 0.000 2.287 252 L HA 0.531 4.871 4.340 0.000 0.000 0.287 252 L C -0.871 176.150 176.870 0.251 0.000 1.022 252 L CA -0.851 54.122 54.840 0.221 0.000 0.814 252 L CB 1.861 44.085 42.059 0.276 0.000 1.217 252 L HN -0.000 nan 8.230 nan 0.000 0.420 253 V N 3.044 123.072 119.914 0.191 0.000 2.432 253 V HA 0.263 4.383 4.120 0.000 0.000 0.275 253 V C 0.047 176.272 176.094 0.219 0.000 1.043 253 V CA -0.438 61.956 62.300 0.157 0.000 0.925 253 V CB 0.986 32.851 31.823 0.070 0.000 0.985 253 V HN 0.607 nan 8.190 nan 0.000 0.466 254 H N 3.059 122.118 119.070 -0.019 0.000 2.457 254 H HA 0.746 5.303 4.556 0.000 0.000 0.335 254 H C -0.112 175.084 175.328 -0.219 0.000 1.115 254 H CA -0.416 55.613 56.048 -0.031 0.000 1.219 254 H CB 2.081 31.854 29.762 0.019 0.000 1.471 254 H HN 0.767 nan 8.280 nan 0.000 0.491 255 A N 1.983 124.640 122.820 -0.272 0.000 2.475 255 A HA 0.737 5.057 4.320 0.000 0.000 0.301 255 A C -1.313 175.893 177.584 -0.629 0.000 1.059 255 A CA -0.499 51.329 52.037 -0.348 0.000 0.710 255 A CB 1.652 20.565 19.000 -0.146 0.000 1.288 255 A HN 0.731 nan 8.150 nan 0.000 0.408 256 A N 1.365 123.830 122.820 -0.592 0.000 2.414 256 A HA 0.635 4.955 4.320 0.000 0.000 0.286 256 A C -1.292 175.996 177.584 -0.493 0.000 1.073 256 A CA -0.335 51.313 52.037 -0.648 0.000 0.727 256 A CB 1.095 19.629 19.000 -0.776 0.000 1.215 256 A HN 1.297 nan 8.150 nan 0.000 0.430 257 V N 3.675 123.210 119.914 -0.633 0.000 2.409 257 V HA 0.698 4.818 4.120 0.000 0.000 0.291 257 V C 0.178 176.136 176.094 -0.225 0.000 1.020 257 V CA -0.242 61.786 62.300 -0.453 0.000 0.848 257 V CB 1.251 32.754 31.823 -0.534 0.000 0.990 257 V HN 1.267 nan 8.190 nan 0.000 0.430 258 V N 2.292 122.187 119.914 -0.032 0.000 3.156 258 V HA 0.910 5.030 4.120 0.000 0.000 0.310 258 V C -0.474 175.690 176.094 0.117 0.000 1.234 258 V CA -0.468 61.947 62.300 0.192 0.000 1.065 258 V CB 2.434 34.387 31.823 0.217 0.000 1.088 258 V HN 0.696 nan 8.190 nan 0.000 0.451 259 T N 0.237 114.914 114.554 0.205 0.000 2.864 259 T HA 0.441 4.791 4.350 0.000 0.000 0.299 259 T C -0.950 173.838 174.700 0.147 0.000 1.166 259 T CA -0.445 61.705 62.100 0.083 0.000 1.007 259 T CB 1.900 70.713 68.868 -0.091 0.000 1.219 259 T HN 1.064 nan 8.240 nan 0.000 0.506 260 E N 0.515 120.733 120.200 0.031 0.000 2.415 260 E HA 0.412 4.762 4.350 0.000 0.000 0.260 260 E C 0.507 177.088 176.600 -0.032 0.000 1.016 260 E CA -0.055 56.375 56.400 0.050 0.000 0.924 260 E CB 0.136 29.755 29.700 -0.136 0.000 0.961 260 E HN 0.715 nan 8.360 nan 0.000 0.459 261 G N 2.925 111.670 108.800 -0.091 0.000 3.019 261 G HA2 0.621 4.581 3.960 0.000 0.000 0.152 261 G HA3 0.621 4.581 3.960 0.000 0.000 0.152 261 G C -0.629 174.174 174.900 -0.162 0.000 1.320 261 G CA -0.087 44.773 45.100 -0.399 0.000 1.013 261 G HN 0.712 nan 8.290 nan 0.000 0.593 262 A N -1.192 121.520 122.820 -0.181 0.000 2.271 262 A HA 0.778 5.099 4.320 0.000 0.000 0.288 262 A C 0.343 177.950 177.584 0.038 0.000 1.094 262 A CA 0.423 52.497 52.037 0.062 0.000 0.828 262 A CB 0.637 19.761 19.000 0.206 0.000 1.091 262 A HN 1.645 nan 8.150 nan 0.000 0.493 263 A N 0.102 122.967 122.820 0.075 0.000 2.322 263 A HA 0.641 4.961 4.320 0.000 0.000 0.327 263 A C 0.022 177.648 177.584 0.070 0.000 1.134 263 A CA -0.558 51.530 52.037 0.085 0.000 0.831 263 A CB 0.376 19.440 19.000 0.107 0.000 1.288 263 A HN 1.227 nan 8.150 nan 0.000 0.472 264 V N 0.710 120.669 119.914 0.076 0.000 2.953 264 V HA 0.293 4.413 4.120 0.000 0.000 0.304 264 V C 1.739 177.867 176.094 0.057 0.000 1.138 264 V CA 1.682 64.020 62.300 0.064 0.000 1.266 264 V CB -0.013 31.859 31.823 0.082 0.000 0.923 264 V HN 2.111 nan 8.190 nan 0.000 0.505 265 G N 3.147 111.973 108.800 0.043 0.000 2.233 265 G HA2 -0.279 3.681 3.960 0.000 0.000 0.270 265 G HA3 -0.279 3.681 3.960 0.000 0.000 0.270 265 G C 0.365 175.286 174.900 0.035 0.000 1.011 265 G CA 0.557 45.677 45.100 0.033 0.000 0.762 265 G HN 1.073 nan 8.290 nan 0.000 0.511 266 S N -0.832 114.895 115.700 0.045 0.000 2.585 266 S HA 0.717 5.187 4.470 0.000 0.000 0.277 266 S C 1.636 176.259 174.600 0.038 0.000 1.241 266 S CA 0.588 58.818 58.200 0.049 0.000 1.041 266 S CB 1.285 64.528 63.200 0.073 0.000 0.987 266 S HN 1.395 nan 8.310 nan 0.000 0.512 267 A N 2.767 125.603 122.820 0.026 0.000 2.014 267 A HA 0.032 4.352 4.320 0.000 0.000 0.218 267 A C 1.834 179.420 177.584 0.003 0.000 1.163 267 A CA 1.347 53.389 52.037 0.008 0.000 0.652 267 A CB -0.569 18.430 19.000 -0.002 0.000 0.808 267 A HN 0.936 nan 8.150 nan 0.000 0.449 268 E N -0.280 119.935 120.200 0.026 0.000 2.427 268 E HA 0.090 4.440 4.350 0.000 0.000 0.196 268 E C 1.942 178.603 176.600 0.100 0.000 1.028 268 E CA 0.517 56.926 56.400 0.016 0.000 0.864 268 E CB -0.139 29.600 29.700 0.064 0.000 0.813 268 E HN 0.575 nan 8.360 nan 0.000 0.514 269 A N 1.832 124.728 122.820 0.126 0.000 1.851 269 A HA -0.238 4.082 4.320 0.000 0.000 0.216 269 A C 1.880 179.536 177.584 0.121 0.000 1.195 269 A CA 1.647 53.778 52.037 0.158 0.000 0.622 269 A CB -0.681 18.372 19.000 0.088 0.000 0.831 269 A HN 0.316 nan 8.150 nan 0.000 0.444 270 N N 0.534 119.263 118.700 0.050 0.000 2.272 270 N HA -0.169 4.572 4.740 0.000 0.000 0.185 270 N C 1.853 177.368 175.510 0.008 0.000 1.014 270 N CA 1.381 54.446 53.050 0.025 0.000 0.870 270 N CB -0.369 38.113 38.487 -0.010 0.000 0.975 270 N HN 0.537 nan 8.380 nan 0.000 0.433 271 A N 0.961 123.752 122.820 -0.048 0.000 1.873 271 A HA -0.043 4.277 4.320 0.000 0.000 0.215 271 A C 2.028 179.498 177.584 -0.189 0.000 1.186 271 A CA 0.865 52.804 52.037 -0.163 0.000 0.616 271 A CB -0.843 17.975 19.000 -0.304 0.000 0.823 271 A HN 0.157 nan 8.150 nan 0.000 0.442 272 F N 0.864 120.748 119.950 -0.110 0.000 2.084 272 F HA -0.168 4.359 4.527 0.000 0.000 0.296 272 F C 2.877 178.700 175.800 0.039 0.000 1.111 272 F CA 1.569 59.462 58.000 -0.179 0.000 1.224 272 F CB -0.308 38.549 39.000 -0.239 0.000 0.991 272 F HN 0.148 nan 8.300 nan 0.000 0.471 273 S N -0.017 115.841 115.700 0.262 0.000 2.392 273 S HA -0.205 4.265 4.470 0.000 0.000 0.232 273 S C 2.117 176.849 174.600 0.220 0.000 1.041 273 S CA 1.448 59.773 58.200 0.208 0.000 1.026 273 S CB -0.701 62.594 63.200 0.158 0.000 0.845 273 S HN 0.150 nan 8.310 nan 0.000 0.465 274 V N 1.453 121.466 119.914 0.165 0.000 2.323 274 V HA -0.050 4.070 4.120 0.000 0.000 0.244 274 V C 2.149 178.333 176.094 0.150 0.000 1.041 274 V CA 1.373 63.764 62.300 0.153 0.000 1.025 274 V CB -0.629 31.231 31.823 0.061 0.000 0.656 274 V HN 0.417 nan 8.190 nan 0.000 0.451 275 L N 0.114 121.403 121.223 0.110 0.000 2.265 275 L HA -0.177 4.163 4.340 0.000 0.000 0.215 275 L C 2.269 179.299 176.870 0.267 0.000 1.117 275 L CA 1.922 56.843 54.840 0.135 0.000 0.782 275 L CB -0.731 41.353 42.059 0.042 0.000 0.914 275 L HN 0.414 nan 8.230 nan 0.000 0.441 276 Q N -1.183 118.799 119.800 0.304 0.000 1.942 276 Q HA -0.241 4.099 4.340 0.000 0.000 0.203 276 Q C 2.168 178.196 176.000 0.047 0.000 0.987 276 Q CA 1.848 57.761 55.803 0.184 0.000 0.844 276 Q CB -0.297 28.472 28.738 0.052 0.000 0.911 276 Q HN 0.611 nan 8.270 nan 0.000 0.423 277 H N -0.540 118.603 119.070 0.121 0.000 2.460 277 H HA -0.124 4.432 4.556 0.000 0.000 0.297 277 H C 2.191 177.564 175.328 0.075 0.000 1.103 277 H CA 1.493 57.591 56.048 0.084 0.000 1.292 277 H CB -0.057 29.746 29.762 0.067 0.000 1.376 277 H HN 0.169 nan 8.280 nan 0.000 0.531 278 V N 0.926 120.949 119.914 0.182 0.000 2.307 278 V HA -0.212 3.908 4.120 0.000 0.000 0.245 278 V C 2.773 178.929 176.094 0.103 0.000 1.045 278 V CA 1.274 63.647 62.300 0.122 0.000 1.024 278 V CB -0.526 31.354 31.823 0.095 0.000 0.651 278 V HN 0.236 nan 8.190 nan 0.000 0.449 279 L N -0.107 121.181 121.223 0.108 0.000 2.201 279 L HA 0.224 4.564 4.340 0.000 0.000 0.212 279 L C 1.063 177.984 176.870 0.085 0.000 1.105 279 L CA 1.095 55.985 54.840 0.084 0.000 0.775 279 L CB -0.442 41.668 42.059 0.085 0.000 0.913 279 L HN 0.589 nan 8.230 nan 0.000 0.440 280 G N -0.414 108.441 108.800 0.090 0.000 3.367 280 G HA2 0.218 4.178 3.960 0.000 0.000 0.686 280 G HA3 0.218 4.178 3.960 0.000 0.000 0.686 280 G C -0.731 174.207 174.900 0.064 0.000 1.146 280 G CA -0.553 44.608 45.100 0.101 0.000 0.913 280 G HN 0.365 nan 8.290 nan 0.000 0.554 281 A N 1.415 124.260 122.820 0.042 0.000 2.768 281 A HA 1.079 5.399 4.320 0.000 0.000 0.299 281 A C 0.829 178.434 177.584 0.035 0.000 1.171 281 A CA 0.953 52.989 52.037 -0.002 0.000 0.759 281 A CB 0.723 19.649 19.000 -0.123 0.000 1.267 281 A HN 2.980 nan 8.150 nan 0.000 0.421 282 G N 3.014 111.849 108.800 0.058 0.000 3.039 282 G HA2 0.102 4.062 3.960 0.000 0.000 0.686 282 G HA3 0.102 4.062 3.960 0.000 0.000 0.686 282 G C -2.361 172.579 174.900 0.066 0.000 1.066 282 G CA -0.406 44.728 45.100 0.055 0.000 0.774 282 G HN 0.830 nan 8.290 nan 0.000 0.591 283 P HA 0.478 nan 4.420 nan 0.000 0.277 283 P C 0.827 178.134 177.300 0.012 0.000 1.240 283 P CA -0.630 62.481 63.100 0.019 0.000 0.798 283 P CB 1.126 32.830 31.700 0.006 0.000 0.979 284 L N 0.711 121.933 121.223 -0.002 0.000 2.731 284 L HA 0.376 4.716 4.340 0.000 0.000 0.240 284 L C 0.740 177.602 176.870 -0.013 0.000 1.120 284 L CA 0.128 54.967 54.840 -0.000 0.000 0.913 284 L CB 0.157 42.218 42.059 0.003 0.000 1.213 284 L HN 0.267 nan 8.230 nan 0.000 0.515 285 I N 0.993 121.547 120.570 -0.027 0.000 2.410 285 I HA 0.189 4.359 4.170 0.000 0.000 0.286 285 I C 0.174 176.272 176.117 -0.032 0.000 1.009 285 I CA -0.577 60.704 61.300 -0.031 0.000 1.111 285 I CB 2.105 40.079 38.000 -0.043 0.000 1.262 285 I HN -0.016 nan 8.210 nan 0.000 0.443 286 K N 6.862 127.248 120.400 -0.023 0.000 2.466 286 K HA 0.040 4.360 4.320 0.000 0.000 0.278 286 K C 0.489 177.074 176.600 -0.025 0.000 1.048 286 K CA 0.434 56.709 56.287 -0.020 0.000 1.088 286 K CB 0.233 32.725 32.500 -0.014 0.000 0.884 286 K HN 0.589 nan 8.250 nan 0.000 0.478 287 R N 0.756 121.241 120.500 -0.026 0.000 3.946 287 R HA -0.188 4.152 4.340 0.000 0.000 0.329 287 R C 0.414 176.689 176.300 -0.043 0.000 1.209 287 R CA 0.833 56.916 56.100 -0.028 0.000 0.909 287 R CB -2.082 28.206 30.300 -0.020 0.000 1.355 287 R HN 0.840 nan 8.270 nan 0.000 0.539 288 G N -0.086 108.679 108.800 -0.058 0.000 2.502 288 G HA2 0.429 4.389 3.960 0.000 0.000 0.305 288 G HA3 0.429 4.389 3.960 0.000 0.000 0.305 288 G C -0.391 174.418 174.900 -0.151 0.000 1.190 288 G CA 0.003 45.052 45.100 -0.085 0.000 0.933 288 G HN 0.074 nan 8.290 nan 0.000 0.503 289 S N -1.010 114.579 115.700 -0.185 0.000 2.610 289 S HA 0.543 5.013 4.470 0.000 0.000 0.273 289 S C 0.173 174.549 174.600 -0.373 0.000 1.274 289 S CA -0.490 57.512 58.200 -0.331 0.000 1.023 289 S CB 0.934 64.008 63.200 -0.210 0.000 0.962 289 S HN 0.450 nan 8.310 nan 0.000 0.523 290 S N 3.035 118.362 115.700 -0.623 0.000 2.532 290 S HA 0.285 4.755 4.470 0.000 0.000 0.318 290 S C 0.938 175.399 174.600 -0.232 0.000 1.083 290 S CA -0.823 57.153 58.200 -0.374 0.000 1.131 290 S CB 1.225 64.215 63.200 -0.349 0.000 0.973 290 S HN 0.595 nan 8.310 nan 0.000 0.468 291 V N 2.645 122.485 119.914 -0.124 0.000 2.535 291 V HA -0.070 4.051 4.120 0.000 0.000 0.246 291 V C 2.115 178.198 176.094 -0.018 0.000 1.045 291 V CA 1.301 63.567 62.300 -0.058 0.000 1.058 291 V CB -0.912 30.886 31.823 -0.043 0.000 0.689 291 V HN 0.728 nan 8.190 nan 0.000 0.461 292 T N -0.114 114.431 114.554 -0.016 0.000 3.155 292 T HA -0.037 4.313 4.350 0.000 0.000 0.264 292 T C 0.941 175.665 174.700 0.041 0.000 1.160 292 T CA 0.949 63.057 62.100 0.014 0.000 1.075 292 T CB -0.183 68.693 68.868 0.014 0.000 0.921 292 T HN 0.347 nan 8.240 nan 0.000 0.533 293 S N 0.829 116.555 115.700 0.044 0.000 2.520 293 S HA 0.287 4.757 4.470 0.000 0.000 0.324 293 S C 1.191 175.857 174.600 0.109 0.000 1.069 293 S CA -0.898 57.360 58.200 0.097 0.000 1.121 293 S CB 0.431 63.719 63.200 0.148 0.000 0.971 293 S HN 0.200 nan 8.310 nan 0.000 0.463 294 K N 3.018 123.469 120.400 0.084 0.000 2.026 294 K HA -0.090 4.230 4.320 0.000 0.000 0.208 294 K C 1.776 178.419 176.600 0.071 0.000 1.048 294 K CA 0.927 57.254 56.287 0.065 0.000 0.929 294 K CB -0.346 32.180 32.500 0.044 0.000 0.713 294 K HN 0.524 nan 8.250 nan 0.000 0.439 295 L N 0.882 122.144 121.223 0.066 0.000 1.989 295 L HA -0.233 4.107 4.340 0.000 0.000 0.211 295 L C 2.282 179.207 176.870 0.091 0.000 1.071 295 L CA 1.752 56.606 54.840 0.024 0.000 0.749 295 L CB -0.864 41.199 42.059 0.005 0.000 0.890 295 L HN 0.135 nan 8.230 nan 0.000 0.431 296 Y N 0.150 120.487 120.300 0.062 0.000 2.036 296 Y HA -0.297 4.253 4.550 0.000 0.000 0.273 296 Y C 2.733 178.721 175.900 0.147 0.000 1.135 296 Y CA 2.139 60.327 58.100 0.147 0.000 1.106 296 Y CB -0.656 37.860 38.460 0.094 0.000 0.976 296 Y HN 0.297 nan 8.280 nan 0.000 0.483 297 Q N -0.136 119.899 119.800 0.391 0.000 2.173 297 Q HA -0.196 4.144 4.340 0.000 0.000 0.208 297 Q C 2.434 178.518 176.000 0.140 0.000 0.989 297 Q CA 1.551 57.490 55.803 0.227 0.000 0.872 297 Q CB -1.177 27.626 28.738 0.109 0.000 0.909 297 Q HN 0.685 nan 8.270 nan 0.000 0.420 298 G N -0.133 108.717 108.800 0.083 0.000 2.414 298 G HA2 -0.159 3.801 3.960 0.000 0.000 0.215 298 G HA3 -0.159 3.801 3.960 0.000 0.000 0.215 298 G C 1.595 176.460 174.900 -0.058 0.000 1.188 298 G CA 0.962 46.062 45.100 -0.000 0.000 0.783 298 G HN 0.301 nan 8.290 nan 0.000 0.537 299 V N 1.730 121.581 119.914 -0.106 0.000 2.490 299 V HA -0.106 4.014 4.120 0.000 0.000 0.250 299 V C 3.298 179.148 176.094 -0.407 0.000 1.061 299 V CA 1.786 63.887 62.300 -0.332 0.000 1.064 299 V CB -0.882 30.644 31.823 -0.494 0.000 0.670 299 V HN 0.479 nan 8.190 nan 0.000 0.461 300 A N 0.463 123.261 122.820 -0.037 0.000 1.883 300 A HA -0.269 4.051 4.320 0.000 0.000 0.217 300 A C 2.296 179.887 177.584 0.012 0.000 1.186 300 A CA 2.159 54.293 52.037 0.161 0.000 0.624 300 A CB -0.472 18.769 19.000 0.401 0.000 0.822 300 A HN 0.567 nan 8.150 nan 0.000 0.444 301 K N -0.243 120.157 120.400 -0.001 0.000 2.147 301 K HA -0.036 4.284 4.320 0.000 0.000 0.205 301 K C 2.250 178.806 176.600 -0.073 0.000 1.049 301 K CA 0.994 57.268 56.287 -0.022 0.000 0.936 301 K CB -0.324 32.168 32.500 -0.014 0.000 0.722 301 K HN 0.468 nan 8.250 nan 0.000 0.446 302 A N 1.064 123.805 122.820 -0.132 0.000 1.841 302 A HA -0.086 4.234 4.320 0.000 0.000 0.214 302 A C 1.720 179.190 177.584 -0.190 0.000 1.195 302 A CA 1.569 53.510 52.037 -0.160 0.000 0.611 302 A CB -0.459 18.420 19.000 -0.202 0.000 0.835 302 A HN 0.305 nan 8.150 nan 0.000 0.443 303 T N -3.054 111.333 114.554 -0.279 0.000 2.884 303 T HA 0.468 4.818 4.350 0.000 0.000 0.277 303 T C 0.896 175.482 174.700 -0.190 0.000 0.976 303 T CA 0.388 62.310 62.100 -0.298 0.000 0.956 303 T CB 1.400 70.040 68.868 -0.380 0.000 1.113 303 T HN 0.222 nan 8.240 nan 0.000 0.554 304 T N 0.789 115.223 114.554 -0.200 0.000 2.987 304 T HA 0.229 4.579 4.350 0.000 0.000 0.248 304 T C 0.380 175.083 174.700 0.005 0.000 0.997 304 T CA -0.199 61.856 62.100 -0.075 0.000 1.013 304 T CB 0.284 69.101 68.868 -0.086 0.000 1.077 304 T HN 0.423 nan 8.240 nan 0.000 0.483 305 Q N 1.597 121.387 119.800 -0.018 0.000 2.256 305 Q HA 0.391 4.731 4.340 0.000 0.000 0.232 305 Q C -2.550 173.579 176.000 0.216 0.000 0.965 305 Q CA -2.414 53.450 55.803 0.103 0.000 0.908 305 Q CB -0.281 28.558 28.738 0.168 0.000 1.209 305 Q HN 0.120 nan 8.270 nan 0.000 0.489 306 P HA 0.042 nan 4.420 nan 0.000 0.266 306 P C -0.863 176.588 177.300 0.252 0.000 1.193 306 P CA 0.436 63.630 63.100 0.156 0.000 0.770 306 P CB 0.276 32.019 31.700 0.073 0.000 0.836 307 F N -1.036 118.901 119.950 -0.022 0.000 3.194 307 F HA 0.691 5.218 4.527 0.000 0.000 0.327 307 F C -2.189 173.524 175.800 -0.144 0.000 1.141 307 F CA -0.999 56.959 58.000 -0.069 0.000 0.862 307 F CB 1.077 40.024 39.000 -0.088 0.000 1.447 307 F HN 0.211 nan 8.300 nan 0.000 0.479 308 D N 0.538 120.821 120.400 -0.195 0.000 2.769 308 D HA 0.697 5.337 4.640 0.000 0.000 0.219 308 D C -1.792 174.478 176.300 -0.051 0.000 1.245 308 D CA 0.077 53.843 54.000 -0.390 0.000 0.801 308 D CB 2.311 42.949 40.800 -0.270 0.000 1.598 308 D HN 1.160 nan 8.370 nan 0.000 0.485 309 A N 1.510 124.247 122.820 -0.138 0.000 2.486 309 A HA 0.827 5.147 4.320 0.000 0.000 0.300 309 A C -1.045 176.545 177.584 0.010 0.000 1.048 309 A CA -0.478 51.569 52.037 0.016 0.000 0.696 309 A CB 1.800 20.824 19.000 0.040 0.000 1.278 309 A HN 0.393 nan 8.150 nan 0.000 0.405 310 S N -0.512 115.238 115.700 0.082 0.000 2.638 310 S HA 0.802 5.272 4.470 0.000 0.000 0.274 310 S C -0.392 174.267 174.600 0.098 0.000 1.157 310 S CA -0.057 58.187 58.200 0.073 0.000 0.826 310 S CB 1.805 65.023 63.200 0.031 0.000 1.139 310 S HN 1.826 nan 8.310 nan 0.000 0.474 311 A N 1.274 124.112 122.820 0.031 0.000 2.309 311 A HA 0.679 4.999 4.320 0.000 0.000 0.290 311 A C -0.937 176.607 177.584 -0.068 0.000 1.206 311 A CA -0.183 51.814 52.037 -0.067 0.000 0.850 311 A CB -0.361 18.587 19.000 -0.087 0.000 1.118 311 A HN 0.599 nan 8.150 nan 0.000 0.523 312 F N 3.140 122.898 119.950 -0.320 0.000 2.408 312 F HA 0.616 5.143 4.527 0.000 0.000 0.344 312 F C -0.152 175.417 175.800 -0.386 0.000 1.112 312 F CA -0.913 56.938 58.000 -0.248 0.000 1.096 312 F CB 1.327 40.248 39.000 -0.131 0.000 1.129 312 F HN 0.598 nan 8.300 nan 0.000 0.486 313 N N 4.710 122.885 118.700 -0.876 0.000 2.542 313 N HA 0.500 5.240 4.740 0.000 0.000 0.288 313 N C -2.329 172.810 175.510 -0.618 0.000 1.115 313 N CA -0.438 52.239 53.050 -0.621 0.000 0.924 313 N CB 1.600 40.002 38.487 -0.140 0.000 1.526 313 N HN 0.311 nan 8.380 nan 0.000 0.515 314 V N 2.621 122.153 119.914 -0.637 0.000 2.604 314 V HA 0.615 4.735 4.120 0.000 0.000 0.305 314 V C -0.670 175.162 176.094 -0.437 0.000 1.043 314 V CA -0.950 61.024 62.300 -0.544 0.000 0.888 314 V CB 1.856 33.313 31.823 -0.609 0.000 0.995 314 V HN 0.641 nan 8.190 nan 0.000 0.429 315 N N 3.304 121.762 118.700 -0.403 0.000 2.483 315 N HA 0.493 5.233 4.740 0.000 0.000 0.267 315 N C -1.379 174.004 175.510 -0.212 0.000 0.998 315 N CA -0.248 52.665 53.050 -0.229 0.000 0.918 315 N CB 1.669 40.105 38.487 -0.085 0.000 1.215 315 N HN 0.670 nan 8.380 nan 0.000 0.500 316 Y N 0.140 120.475 120.300 0.058 0.000 2.446 316 Y HA 0.098 4.648 4.550 0.000 0.000 0.338 316 Y C 2.028 177.969 175.900 0.068 0.000 1.055 316 Y CA -0.849 57.291 58.100 0.066 0.000 1.101 316 Y CB 1.560 40.057 38.460 0.063 0.000 1.221 316 Y HN 0.521 nan 8.280 nan 0.000 0.460 317 S N 0.569 116.423 115.700 0.256 0.000 2.426 317 S HA -0.335 4.135 4.470 0.000 0.000 0.259 317 S C 0.887 175.569 174.600 0.137 0.000 1.096 317 S CA 2.303 60.599 58.200 0.160 0.000 1.219 317 S CB -0.512 62.767 63.200 0.133 0.000 1.124 317 S HN 0.883 nan 8.310 nan 0.000 0.436 318 D N 0.246 120.730 120.400 0.141 0.000 2.670 318 D HA 0.571 5.212 4.640 0.000 0.000 0.255 318 D C 0.090 176.494 176.300 0.172 0.000 1.286 318 D CA 0.110 54.186 54.000 0.126 0.000 0.830 318 D CB 0.262 41.116 40.800 0.091 0.000 1.065 318 D HN 0.394 nan 8.370 nan 0.000 0.486 319 S N -2.088 113.742 115.700 0.217 0.000 2.692 319 S HA 0.602 5.072 4.470 0.000 0.000 0.266 319 S C -1.356 173.409 174.600 0.274 0.000 1.012 319 S CA -0.297 58.060 58.200 0.261 0.000 0.903 319 S CB 0.680 64.109 63.200 0.381 0.000 1.164 319 S HN 0.663 nan 8.310 nan 0.000 0.472 320 G N 0.134 109.081 108.800 0.246 0.000 2.600 320 G HA2 0.660 4.620 3.960 0.000 0.000 0.293 320 G HA3 0.660 4.620 3.960 0.000 0.000 0.293 320 G C -2.334 172.636 174.900 0.117 0.000 1.408 320 G CA -0.557 44.611 45.100 0.114 0.000 0.782 320 G HN 0.802 nan 8.290 nan 0.000 0.482 321 L N -0.145 121.065 121.223 -0.021 0.000 2.422 321 L HA 0.759 5.099 4.340 0.000 0.000 0.264 321 L C -1.562 175.261 176.870 -0.079 0.000 0.984 321 L CA -0.766 54.087 54.840 0.022 0.000 0.819 321 L CB 2.613 44.729 42.059 0.094 0.000 1.330 321 L HN 0.597 nan 8.230 nan 0.000 0.410 322 F N 1.281 121.161 119.950 -0.118 0.000 2.608 322 F HA 0.821 5.348 4.527 0.000 0.000 0.309 322 F C -0.038 175.879 175.800 0.194 0.000 1.103 322 F CA 0.211 58.138 58.000 -0.120 0.000 0.954 322 F CB 2.228 40.986 39.000 -0.404 0.000 1.267 322 F HN 0.541 nan 8.300 nan 0.000 0.444 323 G N 2.934 111.424 108.800 -0.518 0.000 2.404 323 G HA2 0.339 4.299 3.960 0.000 0.000 0.253 323 G HA3 0.339 4.299 3.960 0.000 0.000 0.253 323 G C -1.997 172.755 174.900 -0.247 0.000 1.253 323 G CA -0.174 44.806 45.100 -0.199 0.000 0.917 323 G HN 1.048 nan 8.290 nan 0.000 0.480 324 F N -1.119 118.777 119.950 -0.089 0.000 2.611 324 F HA 0.889 5.416 4.527 0.000 0.000 0.324 324 F C -1.008 174.814 175.800 0.036 0.000 1.061 324 F CA -1.829 56.143 58.000 -0.047 0.000 0.954 324 F CB 1.946 40.899 39.000 -0.078 0.000 1.301 324 F HN 0.642 nan 8.300 nan 0.000 0.482 325 Y N 1.140 121.509 120.300 0.115 0.000 2.391 325 Y HA 0.588 5.138 4.550 0.000 0.000 0.341 325 Y C -0.919 175.013 175.900 0.054 0.000 0.965 325 Y CA -0.706 57.373 58.100 -0.035 0.000 1.067 325 Y CB 1.920 40.285 38.460 -0.159 0.000 1.199 325 Y HN 0.992 nan 8.280 nan 0.000 0.450 326 T N 5.125 119.914 114.554 0.392 0.000 2.881 326 T HA 0.632 4.982 4.350 0.000 0.000 0.290 326 T C -1.012 173.768 174.700 0.134 0.000 1.000 326 T CA -0.665 61.592 62.100 0.261 0.000 0.978 326 T CB 1.086 70.075 68.868 0.201 0.000 0.997 326 T HN 0.516 nan 8.240 nan 0.000 0.443 327 I N 3.375 123.970 120.570 0.041 0.000 2.377 327 I HA 0.690 4.861 4.170 0.000 0.000 0.293 327 I C 0.181 176.336 176.117 0.064 0.000 0.987 327 I CA -0.619 60.625 61.300 -0.095 0.000 1.185 327 I CB 1.854 39.694 38.000 -0.265 0.000 1.341 327 I HN 1.028 nan 8.210 nan 0.000 0.455 328 S N 3.832 119.589 115.700 0.096 0.000 2.595 328 S HA 0.329 4.799 4.470 0.000 0.000 0.270 328 S C -1.215 173.464 174.600 0.132 0.000 1.145 328 S CA -1.189 57.099 58.200 0.146 0.000 0.825 328 S CB 1.358 64.640 63.200 0.137 0.000 1.107 328 S HN 0.587 nan 8.310 nan 0.000 0.461 329 Q N 0.931 120.820 119.800 0.149 0.000 2.315 329 Q HA 0.340 4.680 4.340 0.000 0.000 0.289 329 Q C 1.700 177.725 176.000 0.042 0.000 1.044 329 Q CA 0.272 56.134 55.803 0.099 0.000 0.920 329 Q CB 0.657 29.465 28.738 0.117 0.000 1.214 329 Q HN 0.906 nan 8.270 nan 0.000 0.392 330 A N 3.399 126.228 122.820 0.015 0.000 1.881 330 A HA -0.316 4.004 4.320 0.000 0.000 0.219 330 A C 2.078 179.624 177.584 -0.064 0.000 1.215 330 A CA 2.351 54.383 52.037 -0.009 0.000 0.648 330 A CB -1.096 17.900 19.000 -0.007 0.000 0.832 330 A HN 0.906 nan 8.150 nan 0.000 0.455 331 A N -2.319 120.400 122.820 -0.168 0.000 2.178 331 A HA -0.123 4.197 4.320 0.000 0.000 0.218 331 A C 1.588 178.989 177.584 -0.304 0.000 1.157 331 A CA 1.587 53.463 52.037 -0.269 0.000 0.689 331 A CB -0.627 18.142 19.000 -0.384 0.000 0.787 331 A HN 0.696 nan 8.150 nan 0.000 0.465 332 H N -2.017 117.059 119.070 0.009 0.000 2.784 332 H HA 0.427 4.984 4.556 0.000 0.000 0.273 332 H C 1.901 177.216 175.328 -0.021 0.000 1.112 332 H CA 0.327 56.369 56.048 -0.010 0.000 1.162 332 H CB -0.142 29.611 29.762 -0.014 0.000 1.586 332 H HN 0.476 nan 8.280 nan 0.000 0.548 333 A N 0.735 123.601 122.820 0.078 0.000 2.067 333 A HA -0.012 4.308 4.320 0.000 0.000 0.219 333 A C 2.560 180.165 177.584 0.035 0.000 1.158 333 A CA 1.324 53.390 52.037 0.048 0.000 0.661 333 A CB -0.709 18.310 19.000 0.032 0.000 0.801 333 A HN 0.412 nan 8.150 nan 0.000 0.452 334 G N 0.893 109.717 108.800 0.041 0.000 2.484 334 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 334 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 334 G C 1.376 176.288 174.900 0.021 0.000 1.219 334 G CA 1.023 46.145 45.100 0.037 0.000 0.791 334 G HN 0.753 nan 8.290 nan 0.000 0.550 335 E N 0.171 120.383 120.200 0.020 0.000 2.153 335 E HA -0.092 4.258 4.350 0.000 0.000 0.194 335 E C 2.390 178.943 176.600 -0.079 0.000 0.988 335 E CA 1.241 57.627 56.400 -0.024 0.000 0.811 335 E CB -0.427 29.256 29.700 -0.028 0.000 0.746 335 E HN 0.289 nan 8.360 nan 0.000 0.466 336 V N 1.544 121.407 119.914 -0.086 0.000 2.379 336 V HA -0.206 3.914 4.120 0.000 0.000 0.245 336 V C 2.355 178.374 176.094 -0.125 0.000 1.044 336 V CA 1.479 63.679 62.300 -0.166 0.000 1.036 336 V CB -0.381 31.346 31.823 -0.161 0.000 0.664 336 V HN 0.294 nan 8.190 nan 0.000 0.453 337 I N -0.666 119.886 120.570 -0.030 0.000 2.252 337 I HA -0.167 4.003 4.170 0.000 0.000 0.245 337 I C 2.806 178.912 176.117 -0.019 0.000 1.102 337 I CA 1.099 62.422 61.300 0.039 0.000 1.385 337 I CB -0.460 37.618 38.000 0.131 0.000 1.064 337 I HN 0.235 nan 8.210 nan 0.000 0.414 338 R N 1.229 121.722 120.500 -0.013 0.000 2.097 338 R HA -0.196 4.144 4.340 0.000 0.000 0.236 338 R C 2.408 178.658 176.300 -0.084 0.000 1.135 338 R CA 1.773 57.864 56.100 -0.016 0.000 0.934 338 R CB -1.203 29.090 30.300 -0.011 0.000 0.846 338 R HN 0.379 nan 8.270 nan 0.000 0.431 339 A N 1.643 124.390 122.820 -0.122 0.000 1.884 339 A HA -0.219 4.101 4.320 0.000 0.000 0.219 339 A C 2.491 179.938 177.584 -0.229 0.000 1.197 339 A CA 2.551 54.494 52.037 -0.157 0.000 0.637 339 A CB -0.882 18.005 19.000 -0.188 0.000 0.827 339 A HN 0.452 nan 8.150 nan 0.000 0.450 340 A N -1.584 121.018 122.820 -0.364 0.000 1.978 340 A HA -0.129 4.191 4.320 0.000 0.000 0.220 340 A C 2.215 179.386 177.584 -0.688 0.000 1.170 340 A CA 1.957 53.593 52.037 -0.669 0.000 0.636 340 A CB -0.448 17.850 19.000 -1.169 0.000 0.810 340 A HN 0.502 nan 8.150 nan 0.000 0.448 341 M N -0.231 119.139 119.600 -0.383 0.000 2.073 341 M HA -0.097 4.383 4.480 0.000 0.000 0.259 341 M C 1.825 178.112 176.300 -0.020 0.000 1.079 341 M CA 1.303 56.566 55.300 -0.061 0.000 1.131 341 M CB -1.387 31.277 32.600 0.106 0.000 1.316 341 M HN 0.422 nan 8.290 nan 0.000 0.415 342 N N 0.608 119.289 118.700 -0.031 0.000 2.096 342 N HA -0.217 4.523 4.740 0.000 0.000 0.195 342 N C 1.562 177.059 175.510 -0.021 0.000 1.017 342 N CA 1.227 54.270 53.050 -0.012 0.000 0.870 342 N CB -0.539 37.933 38.487 -0.025 0.000 1.024 342 N HN 0.420 nan 8.380 nan 0.000 0.434 343 Q N 0.111 119.871 119.800 -0.067 0.000 2.437 343 Q HA 0.075 4.415 4.340 0.000 0.000 0.210 343 Q C 1.966 177.944 176.000 -0.037 0.000 0.972 343 Q CA 0.312 56.080 55.803 -0.057 0.000 0.903 343 Q CB 0.106 28.790 28.738 -0.090 0.000 0.967 343 Q HN 0.477 nan 8.270 nan 0.000 0.486 344 L N -0.704 120.504 121.223 -0.026 0.000 2.316 344 L HA -0.025 4.315 4.340 0.000 0.000 0.207 344 L C 2.120 179.046 176.870 0.093 0.000 1.070 344 L CA 0.455 55.306 54.840 0.020 0.000 0.820 344 L CB 0.082 42.140 42.059 -0.001 0.000 0.992 344 L HN 0.032 nan 8.230 nan 0.000 0.466 345 K N 0.183 120.643 120.400 0.101 0.000 2.031 345 K HA -0.070 4.250 4.320 0.000 0.000 0.205 345 K C 2.145 178.781 176.600 0.060 0.000 1.049 345 K CA 1.274 57.621 56.287 0.101 0.000 0.939 345 K CB -0.233 32.320 32.500 0.088 0.000 0.717 345 K HN 0.215 nan 8.250 nan 0.000 0.438 346 A N 1.490 124.332 122.820 0.037 0.000 1.986 346 A HA -0.170 4.150 4.320 0.000 0.000 0.220 346 A C 2.266 179.864 177.584 0.024 0.000 1.171 346 A CA 2.029 54.080 52.037 0.023 0.000 0.640 346 A CB -0.580 18.427 19.000 0.011 0.000 0.811 346 A HN 0.369 nan 8.150 nan 0.000 0.451 347 A N -0.941 121.897 122.820 0.029 0.000 2.072 347 A HA 0.445 4.765 4.320 0.000 0.000 0.216 347 A C 2.225 179.827 177.584 0.029 0.000 1.156 347 A CA 1.261 53.315 52.037 0.027 0.000 0.701 347 A CB -0.525 18.494 19.000 0.031 0.000 0.816 347 A HN 0.963 nan 8.150 nan 0.000 0.458 348 A N -0.615 122.233 122.820 0.047 0.000 2.169 348 A HA 0.052 4.372 4.320 0.000 0.000 0.212 348 A C 1.331 178.933 177.584 0.030 0.000 1.153 348 A CA 0.536 52.602 52.037 0.047 0.000 0.756 348 A CB -0.193 18.861 19.000 0.089 0.000 0.813 348 A HN 0.583 nan 8.150 nan 0.000 0.471 349 Q N -0.692 119.124 119.800 0.027 0.000 2.465 349 Q HA 0.395 4.735 4.340 0.000 0.000 0.361 349 Q C 0.703 176.709 176.000 0.010 0.000 0.957 349 Q CA 0.003 55.817 55.803 0.018 0.000 1.065 349 Q CB 0.139 28.890 28.738 0.020 0.000 1.274 349 Q HN 0.634 nan 8.270 nan 0.000 0.421 350 G N 0.563 109.366 108.800 0.005 0.000 2.180 350 G HA2 -0.317 3.643 3.960 0.000 0.000 0.263 350 G HA3 -0.317 3.643 3.960 0.000 0.000 0.263 350 G C 0.582 175.484 174.900 0.003 0.000 0.989 350 G CA 0.096 45.196 45.100 0.000 0.000 0.692 350 G HN 0.611 nan 8.290 nan 0.000 0.526 351 G N -0.613 108.192 108.800 0.007 0.000 3.375 351 G HA2 0.454 4.414 3.960 0.000 0.000 0.247 351 G HA3 0.454 4.414 3.960 0.000 0.000 0.247 351 G C 0.057 174.962 174.900 0.009 0.000 1.343 351 G CA 0.524 45.629 45.100 0.008 0.000 1.368 351 G HN 0.991 nan 8.290 nan 0.000 0.549 352 V N 0.595 120.512 119.914 0.005 0.000 2.409 352 V HA 0.268 4.388 4.120 0.000 0.000 0.290 352 V C 0.442 176.537 176.094 0.002 0.000 1.017 352 V CA -0.763 61.540 62.300 0.006 0.000 0.841 352 V CB 1.360 33.184 31.823 0.002 0.000 1.003 352 V HN 0.204 nan 8.190 nan 0.000 0.426 353 T N 2.827 117.384 114.554 0.005 0.000 2.856 353 T HA 0.041 4.391 4.350 0.000 0.000 0.306 353 T C 1.199 175.899 174.700 -0.000 0.000 1.062 353 T CA 0.139 62.240 62.100 0.002 0.000 1.083 353 T CB 0.963 69.833 68.868 0.004 0.000 0.984 353 T HN 0.876 nan 8.240 nan 0.000 0.542 354 E N 0.613 120.811 120.200 -0.003 0.000 2.347 354 E HA -0.074 4.276 4.350 0.000 0.000 0.196 354 E C 1.898 178.496 176.600 -0.003 0.000 1.008 354 E CA 0.966 57.363 56.400 -0.005 0.000 0.852 354 E CB 0.056 29.752 29.700 -0.007 0.000 0.783 354 E HN 0.737 nan 8.360 nan 0.000 0.505 355 E N -0.095 120.105 120.200 -0.001 0.000 2.122 355 E HA -0.134 4.216 4.350 0.000 0.000 0.190 355 E C 0.909 177.511 176.600 0.004 0.000 0.977 355 E CA 0.887 57.287 56.400 -0.000 0.000 0.820 355 E CB 0.038 29.738 29.700 0.000 0.000 0.770 355 E HN 0.226 nan 8.360 nan 0.000 0.462 356 D N 0.647 121.052 120.400 0.008 0.000 2.182 356 D HA -0.145 4.495 4.640 0.000 0.000 0.201 356 D C 2.027 178.338 176.300 0.019 0.000 0.986 356 D CA 0.938 54.948 54.000 0.016 0.000 0.847 356 D CB -0.005 40.808 40.800 0.021 0.000 0.942 356 D HN 0.137 nan 8.370 nan 0.000 0.467 357 V N 0.978 120.898 119.914 0.010 0.000 2.626 357 V HA -0.170 3.950 4.120 0.000 0.000 0.252 357 V C 2.410 178.506 176.094 0.003 0.000 1.067 357 V CA 1.608 63.913 62.300 0.007 0.000 1.081 357 V CB -0.608 31.213 31.823 -0.004 0.000 0.686 357 V HN 0.212 nan 8.190 nan 0.000 0.468 358 T N -0.339 114.215 114.554 -0.001 0.000 2.732 358 T HA -0.116 4.234 4.350 0.000 0.000 0.261 358 T C 1.920 176.615 174.700 -0.008 0.000 1.040 358 T CA 1.155 63.251 62.100 -0.006 0.000 1.145 358 T CB -0.127 68.737 68.868 -0.006 0.000 0.866 358 T HN 0.450 nan 8.240 nan 0.000 0.427 359 K N 1.532 121.931 120.400 -0.003 0.000 1.987 359 K HA -0.098 4.223 4.320 0.000 0.000 0.216 359 K C 2.730 179.321 176.600 -0.015 0.000 1.051 359 K CA 1.407 57.691 56.287 -0.005 0.000 0.942 359 K CB -0.586 31.917 32.500 0.005 0.000 0.722 359 K HN 0.273 nan 8.250 nan 0.000 0.444 360 A N 2.194 125.020 122.820 0.009 0.000 1.881 360 A HA -0.301 4.019 4.320 0.000 0.000 0.219 360 A C 2.008 179.557 177.584 -0.059 0.000 1.215 360 A CA 2.343 54.390 52.037 0.017 0.000 0.648 360 A CB -0.714 18.343 19.000 0.095 0.000 0.832 360 A HN 0.314 nan 8.150 nan 0.000 0.455 361 K N -0.538 119.846 120.400 -0.025 0.000 2.189 361 K HA -0.217 4.103 4.320 0.000 0.000 0.207 361 K C 1.707 178.269 176.600 -0.063 0.000 1.046 361 K CA 1.610 57.875 56.287 -0.037 0.000 0.928 361 K CB -0.309 32.178 32.500 -0.022 0.000 0.720 361 K HN 0.581 nan 8.250 nan 0.000 0.458 362 N N 0.852 119.513 118.700 -0.064 0.000 2.148 362 N HA -0.113 4.627 4.740 0.000 0.000 0.186 362 N C 1.776 177.226 175.510 -0.100 0.000 1.031 362 N CA 1.046 54.060 53.050 -0.059 0.000 0.848 362 N CB -0.322 38.142 38.487 -0.039 0.000 1.005 362 N HN 0.290 nan 8.380 nan 0.000 0.427 363 Q N 0.420 120.128 119.800 -0.152 0.000 2.152 363 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 363 Q C 1.925 177.689 176.000 -0.394 0.000 0.985 363 Q CA 1.022 56.684 55.803 -0.234 0.000 0.863 363 Q CB -0.168 28.423 28.738 -0.246 0.000 0.904 363 Q HN 0.179 nan 8.270 nan 0.000 0.422 364 L N 1.154 122.081 121.223 -0.494 0.000 2.044 364 L HA -0.136 4.204 4.340 0.000 0.000 0.205 364 L C 1.817 178.658 176.870 -0.049 0.000 1.075 364 L CA 1.835 56.465 54.840 -0.349 0.000 0.747 364 L CB -0.291 41.671 42.059 -0.162 0.000 0.903 364 L HN -0.004 nan 8.230 nan 0.000 0.435 365 K N -0.625 119.756 120.400 -0.031 0.000 2.097 365 K HA -0.088 4.232 4.320 0.000 0.000 0.206 365 K C 2.031 178.695 176.600 0.107 0.000 1.049 365 K CA 1.215 57.536 56.287 0.057 0.000 0.933 365 K CB -0.323 32.188 32.500 0.019 0.000 0.717 365 K HN 0.443 nan 8.250 nan 0.000 0.442 366 A N 1.148 123.984 122.820 0.027 0.000 1.832 366 A HA -0.159 4.161 4.320 0.000 0.000 0.214 366 A C 2.312 179.915 177.584 0.032 0.000 1.200 366 A CA 2.046 54.095 52.037 0.021 0.000 0.610 366 A CB -1.201 17.792 19.000 -0.012 0.000 0.842 366 A HN 0.209 nan 8.150 nan 0.000 0.444 367 T N -1.219 113.348 114.554 0.022 0.000 2.620 367 T HA -0.275 4.075 4.350 0.000 0.000 0.267 367 T C 1.754 176.496 174.700 0.070 0.000 1.044 367 T CA 2.225 64.356 62.100 0.052 0.000 1.161 367 T CB -0.566 68.358 68.868 0.093 0.000 0.862 367 T HN 0.586 nan 8.240 nan 0.000 0.438 368 Y N 1.437 121.745 120.300 0.013 0.000 2.097 368 Y HA -0.134 4.416 4.550 0.000 0.000 0.282 368 Y C 2.099 178.007 175.900 0.014 0.000 1.152 368 Y CA 1.339 59.450 58.100 0.019 0.000 1.136 368 Y CB -0.646 37.822 38.460 0.013 0.000 0.975 368 Y HN 0.163 nan 8.280 nan 0.000 0.498 369 L N -0.365 120.784 121.223 -0.124 0.000 2.131 369 L HA -0.261 4.079 4.340 0.000 0.000 0.210 369 L C 2.475 179.249 176.870 -0.161 0.000 1.092 369 L CA 1.551 56.279 54.840 -0.186 0.000 0.759 369 L CB -0.391 41.683 42.059 0.025 0.000 0.903 369 L HN 0.414 nan 8.230 nan 0.000 0.435 370 M N -1.494 118.048 119.600 -0.097 0.000 2.193 370 M HA -0.115 4.365 4.480 0.000 0.000 0.265 370 M C 2.157 178.402 176.300 -0.091 0.000 1.071 370 M CA 1.128 56.387 55.300 -0.067 0.000 1.140 370 M CB -0.256 32.326 32.600 -0.030 0.000 1.369 370 M HN 0.040 nan 8.290 nan 0.000 0.423 371 S N 0.393 116.026 115.700 -0.112 0.000 2.571 371 S HA -0.036 4.434 4.470 0.000 0.000 0.245 371 S C 1.234 175.752 174.600 -0.136 0.000 0.976 371 S CA 0.603 58.740 58.200 -0.105 0.000 0.954 371 S CB -0.385 62.762 63.200 -0.088 0.000 0.756 371 S HN 0.282 nan 8.310 nan 0.000 0.535 372 V N 0.115 119.929 119.914 -0.167 0.000 3.166 372 V HA 0.192 4.312 4.120 0.000 0.000 0.332 372 V C 1.174 177.219 176.094 -0.082 0.000 1.434 372 V CA -0.252 61.963 62.300 -0.141 0.000 1.121 372 V CB 0.055 31.746 31.823 -0.219 0.000 1.062 372 V HN 0.334 nan 8.190 nan 0.000 0.489 373 E N 0.489 120.650 120.200 -0.064 0.000 2.216 373 E HA -0.006 4.344 4.350 0.000 0.000 0.192 373 E C 0.620 177.205 176.600 -0.025 0.000 0.988 373 E CA 0.652 57.031 56.400 -0.037 0.000 0.834 373 E CB 0.057 29.739 29.700 -0.030 0.000 0.772 373 E HN 0.505 nan 8.360 nan 0.000 0.479 374 T N 1.128 115.665 114.554 -0.029 0.000 2.916 374 T HA 0.165 4.515 4.350 0.000 0.000 0.303 374 T C 1.181 175.871 174.700 -0.017 0.000 1.025 374 T CA 0.150 62.237 62.100 -0.021 0.000 1.142 374 T CB 1.491 70.342 68.868 -0.028 0.000 0.947 374 T HN 0.133 nan 8.240 nan 0.000 0.544 375 A N 2.481 125.297 122.820 -0.007 0.000 1.940 375 A HA -0.182 4.138 4.320 0.000 0.000 0.219 375 A C 2.289 179.870 177.584 -0.005 0.000 1.176 375 A CA 1.753 53.790 52.037 -0.000 0.000 0.631 375 A CB -0.683 18.322 19.000 0.008 0.000 0.814 375 A HN 0.921 nan 8.150 nan 0.000 0.446 376 Q N -0.673 119.113 119.800 -0.023 0.000 1.967 376 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 376 Q C 2.167 178.137 176.000 -0.051 0.000 0.985 376 Q CA 1.842 57.610 55.803 -0.059 0.000 0.839 376 Q CB -0.665 28.015 28.738 -0.097 0.000 0.906 376 Q HN 0.520 nan 8.270 nan 0.000 0.423 377 G N 1.506 110.277 108.800 -0.048 0.000 2.469 377 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 377 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 377 G C 1.370 176.257 174.900 -0.022 0.000 1.136 377 G CA 1.063 46.139 45.100 -0.041 0.000 0.759 377 G HN 0.383 nan 8.290 nan 0.000 0.562 378 L N 0.050 121.263 121.223 -0.015 0.000 1.973 378 L HA 0.124 4.464 4.340 0.000 0.000 0.208 378 L C 2.595 179.485 176.870 0.034 0.000 1.073 378 L CA 1.770 56.610 54.840 0.000 0.000 0.746 378 L CB -0.781 41.277 42.059 -0.001 0.000 0.891 378 L HN 0.181 nan 8.230 nan 0.000 0.433 379 L N 0.273 121.528 121.223 0.053 0.000 2.081 379 L HA -0.276 4.064 4.340 0.000 0.000 0.212 379 L C 2.277 179.264 176.870 0.196 0.000 1.080 379 L CA 2.265 57.173 54.840 0.114 0.000 0.754 379 L CB -0.888 41.266 42.059 0.158 0.000 0.893 379 L HN 0.624 nan 8.230 nan 0.000 0.433 380 N N -0.644 118.160 118.700 0.174 0.000 2.058 380 N HA -0.275 4.465 4.740 0.000 0.000 0.191 380 N C 1.873 177.478 175.510 0.158 0.000 1.037 380 N CA 1.600 54.791 53.050 0.235 0.000 0.848 380 N CB -0.240 38.297 38.487 0.083 0.000 1.021 380 N HN 0.432 nan 8.380 nan 0.000 0.422 381 E N 0.602 120.852 120.200 0.084 0.000 2.033 381 E HA -0.157 4.193 4.350 0.000 0.000 0.199 381 E C 1.990 178.624 176.600 0.056 0.000 1.011 381 E CA 1.694 58.139 56.400 0.075 0.000 0.815 381 E CB -0.639 29.098 29.700 0.062 0.000 0.755 381 E HN 0.547 nan 8.360 nan 0.000 0.451 382 I N 0.081 120.680 120.570 0.048 0.000 2.091 382 I HA -0.291 3.879 4.170 0.000 0.000 0.239 382 I C 2.428 178.464 176.117 -0.135 0.000 1.061 382 I CA 1.585 62.901 61.300 0.027 0.000 1.317 382 I CB -0.877 37.123 38.000 -0.002 0.000 1.031 382 I HN 0.327 nan 8.210 nan 0.000 0.401 383 G N -0.216 108.362 108.800 -0.371 0.000 2.440 383 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 383 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 383 G C 1.747 176.339 174.900 -0.514 0.000 1.154 383 G CA 1.012 45.551 45.100 -0.935 0.000 0.767 383 G HN 0.363 nan 8.290 nan 0.000 0.552 384 S N 0.451 116.052 115.700 -0.163 0.000 2.365 384 S HA -0.145 4.325 4.470 0.000 0.000 0.225 384 S C 2.194 176.789 174.600 -0.007 0.000 1.039 384 S CA 1.656 59.868 58.200 0.020 0.000 1.033 384 S CB -0.231 63.021 63.200 0.087 0.000 0.887 384 S HN 0.617 nan 8.310 nan 0.000 0.447 385 E N 1.107 121.291 120.200 -0.025 0.000 2.006 385 E HA -0.041 4.309 4.350 0.000 0.000 0.192 385 E C 2.376 178.961 176.600 -0.025 0.000 0.993 385 E CA 0.890 57.283 56.400 -0.011 0.000 0.808 385 E CB -0.342 29.357 29.700 -0.002 0.000 0.764 385 E HN 0.476 nan 8.360 nan 0.000 0.449 386 A N 0.813 123.598 122.820 -0.059 0.000 2.214 386 A HA -0.197 4.123 4.320 0.000 0.000 0.221 386 A C 1.969 179.520 177.584 -0.056 0.000 1.167 386 A CA 1.164 53.163 52.037 -0.063 0.000 0.670 386 A CB -0.339 18.594 19.000 -0.112 0.000 0.797 386 A HN 0.198 nan 8.150 nan 0.000 0.477 387 L N -2.067 119.128 121.223 -0.047 0.000 2.435 387 L HA 0.351 4.691 4.340 0.000 0.000 0.195 387 L C 1.456 178.345 176.870 0.032 0.000 1.072 387 L CA 0.943 55.784 54.840 0.002 0.000 0.833 387 L CB 0.009 42.091 42.059 0.038 0.000 1.081 387 L HN 0.244 nan 8.230 nan 0.000 0.485 388 L N -0.760 120.488 121.223 0.041 0.000 2.715 388 L HA 0.199 4.539 4.340 0.000 0.000 0.238 388 L C 0.976 177.868 176.870 0.037 0.000 1.212 388 L CA 0.536 55.408 54.840 0.053 0.000 1.017 388 L CB -0.190 41.911 42.059 0.070 0.000 1.269 388 L HN 0.415 nan 8.230 nan 0.000 0.452 389 S N -1.245 114.470 115.700 0.025 0.000 6.155 389 S HA 0.333 4.803 4.470 0.000 0.000 0.106 389 S C 0.856 175.466 174.600 0.017 0.000 1.181 389 S CA 0.645 58.856 58.200 0.020 0.000 1.352 389 S CB 0.309 63.517 63.200 0.013 0.000 2.017 389 S HN 0.242 nan 8.310 nan 0.000 0.611 390 G N 1.006 109.814 108.800 0.013 0.000 2.234 390 G HA2 0.050 4.010 3.960 0.000 0.000 0.153 390 G HA3 0.050 4.010 3.960 0.000 0.000 0.153 390 G C 0.155 175.068 174.900 0.021 0.000 1.013 390 G CA 0.744 45.852 45.100 0.014 0.000 0.712 390 G HN 1.577 nan 8.290 nan 0.000 0.491 391 T N -2.782 111.788 114.554 0.027 0.000 2.778 391 T HA 0.691 5.041 4.350 0.000 0.000 0.293 391 T C -1.216 173.535 174.700 0.085 0.000 1.144 391 T CA -0.503 61.626 62.100 0.048 0.000 1.010 391 T CB 2.523 71.411 68.868 0.033 0.000 1.325 391 T HN 0.603 nan 8.240 nan 0.000 0.515 392 H N 0.593 119.659 119.070 -0.006 0.000 2.887 392 H HA 0.356 4.912 4.556 0.000 0.000 0.300 392 H C -0.944 174.388 175.328 0.007 0.000 1.038 392 H CA -0.339 55.710 56.048 0.001 0.000 1.352 392 H CB 0.860 30.622 29.762 -0.000 0.000 1.473 392 H HN 0.702 nan 8.280 nan 0.000 0.503 393 T N 4.425 118.791 114.554 -0.312 0.000 2.761 393 T HA 0.207 4.558 4.350 0.000 0.000 0.287 393 T C 0.763 175.261 174.700 -0.337 0.000 0.931 393 T CA 0.122 62.081 62.100 -0.235 0.000 1.164 393 T CB -0.180 68.580 68.868 -0.181 0.000 0.876 393 T HN 0.675 nan 8.240 nan 0.000 0.534 394 A N 7.365 130.132 122.820 -0.089 0.000 2.586 394 A HA 0.182 4.502 4.320 0.000 0.000 0.231 394 A C -0.192 177.386 177.584 -0.010 0.000 1.055 394 A CA -0.992 51.068 52.037 0.037 0.000 0.756 394 A CB 0.018 19.064 19.000 0.075 0.000 0.988 394 A HN 0.559 nan 8.150 nan 0.000 0.509 395 P HA -0.185 nan 4.420 nan 0.000 0.219 395 P C 1.341 178.654 177.300 0.022 0.000 1.146 395 P CA 1.934 65.093 63.100 0.099 0.000 0.808 395 P CB -0.101 31.720 31.700 0.202 0.000 0.779 396 S N -0.911 114.803 115.700 0.024 0.000 2.436 396 S HA -0.042 4.428 4.470 0.000 0.000 0.228 396 S C 2.046 176.629 174.600 -0.029 0.000 1.014 396 S CA 0.801 59.003 58.200 0.003 0.000 0.950 396 S CB -1.544 61.665 63.200 0.015 0.000 0.784 396 S HN -0.015 nan 8.310 nan 0.000 0.504 397 V N 1.470 121.361 119.914 -0.039 0.000 2.379 397 V HA -0.044 4.076 4.120 0.000 0.000 0.245 397 V C 2.562 178.600 176.094 -0.093 0.000 1.044 397 V CA 1.396 63.663 62.300 -0.055 0.000 1.036 397 V CB -0.683 31.109 31.823 -0.052 0.000 0.664 397 V HN 0.503 nan 8.190 nan 0.000 0.453 398 V N 0.302 120.129 119.914 -0.145 0.000 2.626 398 V HA -0.147 3.973 4.120 0.000 0.000 0.252 398 V C 2.456 178.425 176.094 -0.209 0.000 1.067 398 V CA 2.013 64.177 62.300 -0.226 0.000 1.081 398 V CB -0.163 31.411 31.823 -0.416 0.000 0.686 398 V HN 0.482 nan 8.190 nan 0.000 0.468 399 A N -0.775 121.953 122.820 -0.154 0.000 1.897 399 A HA -0.212 4.108 4.320 0.000 0.000 0.215 399 A C 2.224 179.765 177.584 -0.072 0.000 1.181 399 A CA 1.645 53.620 52.037 -0.104 0.000 0.620 399 A CB -0.614 18.353 19.000 -0.054 0.000 0.821 399 A HN 0.665 nan 8.150 nan 0.000 0.443 400 Q N -0.478 119.285 119.800 -0.061 0.000 2.170 400 Q HA -0.194 4.146 4.340 0.000 0.000 0.203 400 Q C 1.526 177.496 176.000 -0.049 0.000 0.976 400 Q CA 1.446 57.222 55.803 -0.045 0.000 0.858 400 Q CB -0.027 28.689 28.738 -0.036 0.000 0.907 400 Q HN 0.412 nan 8.270 nan 0.000 0.433 401 K N 0.597 120.958 120.400 -0.064 0.000 2.116 401 K HA -0.058 4.262 4.320 0.000 0.000 0.203 401 K C 2.067 178.632 176.600 -0.057 0.000 1.052 401 K CA 0.443 56.694 56.287 -0.060 0.000 0.952 401 K CB -0.279 32.178 32.500 -0.072 0.000 0.729 401 K HN 0.329 nan 8.250 nan 0.000 0.446 402 I N 2.931 123.459 120.570 -0.069 0.000 2.162 402 I HA -0.246 3.924 4.170 0.000 0.000 0.238 402 I C 0.909 177.003 176.117 -0.039 0.000 1.076 402 I CA 1.922 63.189 61.300 -0.055 0.000 1.353 402 I CB -0.708 37.249 38.000 -0.071 0.000 1.063 402 I HN 0.134 nan 8.210 nan 0.000 0.408 403 D N 0.276 120.653 120.400 -0.039 0.000 2.350 403 D HA -0.126 4.514 4.640 0.000 0.000 0.216 403 D C 1.517 177.799 176.300 -0.029 0.000 0.968 403 D CA 0.812 54.794 54.000 -0.030 0.000 0.894 403 D CB -0.714 40.070 40.800 -0.026 0.000 0.909 403 D HN 0.367 nan 8.370 nan 0.000 0.520 404 S N 0.086 115.766 115.700 -0.032 0.000 3.122 404 S HA 0.295 4.765 4.470 0.000 0.000 0.249 404 S C -0.037 174.543 174.600 -0.034 0.000 1.334 404 S CA -0.792 57.390 58.200 -0.031 0.000 1.251 404 S CB -0.624 62.557 63.200 -0.031 0.000 1.034 404 S HN 0.042 nan 8.310 nan 0.000 0.478 405 V N 2.642 122.535 119.914 -0.034 0.000 2.409 405 V HA 0.390 4.510 4.120 0.000 0.000 0.290 405 V C 0.775 176.845 176.094 -0.040 0.000 1.017 405 V CA -0.608 61.667 62.300 -0.042 0.000 0.841 405 V CB 1.128 32.925 31.823 -0.043 0.000 1.003 405 V HN 0.754 nan 8.190 nan 0.000 0.426 406 T N 1.226 115.754 114.554 -0.044 0.000 2.795 406 T HA 0.014 4.364 4.350 0.000 0.000 0.314 406 T C 1.490 176.164 174.700 -0.043 0.000 1.069 406 T CA 0.643 62.720 62.100 -0.039 0.000 1.071 406 T CB 1.063 69.907 68.868 -0.040 0.000 0.988 406 T HN 0.699 nan 8.240 nan 0.000 0.543 407 S N 0.451 116.131 115.700 -0.034 0.000 2.507 407 S HA 0.034 4.504 4.470 0.000 0.000 0.235 407 S C 2.040 176.615 174.600 -0.041 0.000 0.988 407 S CA 0.763 58.944 58.200 -0.032 0.000 0.944 407 S CB -1.031 62.156 63.200 -0.022 0.000 0.762 407 S HN 0.895 nan 8.310 nan 0.000 0.526 408 A N 1.679 124.471 122.820 -0.047 0.000 1.861 408 A HA 0.047 4.367 4.320 0.000 0.000 0.212 408 A C 1.892 179.427 177.584 -0.082 0.000 1.199 408 A CA 1.167 53.172 52.037 -0.054 0.000 0.613 408 A CB -0.814 18.159 19.000 -0.046 0.000 0.846 408 A HN 0.532 nan 8.150 nan 0.000 0.446 409 D N 0.172 120.516 120.400 -0.094 0.000 2.170 409 D HA -0.180 4.460 4.640 0.000 0.000 0.193 409 D C 2.057 178.239 176.300 -0.196 0.000 1.004 409 D CA 1.810 55.726 54.000 -0.140 0.000 0.860 409 D CB -0.426 40.296 40.800 -0.130 0.000 0.931 409 D HN 0.212 nan 8.370 nan 0.000 0.448 410 V N 1.026 120.849 119.914 -0.151 0.000 2.223 410 V HA -0.239 3.881 4.120 0.000 0.000 0.244 410 V C 2.786 178.796 176.094 -0.140 0.000 1.045 410 V CA 1.385 63.593 62.300 -0.152 0.000 1.000 410 V CB -0.658 31.118 31.823 -0.078 0.000 0.635 410 V HN 0.047 nan 8.190 nan 0.000 0.445 411 V N 0.838 120.701 119.914 -0.086 0.000 2.380 411 V HA -0.284 3.836 4.120 0.000 0.000 0.251 411 V C 2.287 178.339 176.094 -0.070 0.000 1.063 411 V CA 2.171 64.437 62.300 -0.056 0.000 1.055 411 V CB -1.025 30.778 31.823 -0.035 0.000 0.657 411 V HN 0.570 nan 8.190 nan 0.000 0.455 412 N N 0.549 119.186 118.700 -0.105 0.000 2.106 412 N HA -0.109 4.631 4.740 0.000 0.000 0.188 412 N C 2.011 177.425 175.510 -0.159 0.000 1.029 412 N CA 1.699 54.684 53.050 -0.108 0.000 0.848 412 N CB -0.529 37.886 38.487 -0.120 0.000 1.007 412 N HN 0.495 nan 8.380 nan 0.000 0.423 413 A N 1.503 124.126 122.820 -0.327 0.000 1.873 413 A HA -0.141 4.179 4.320 0.000 0.000 0.218 413 A C 2.438 179.915 177.584 -0.178 0.000 1.193 413 A CA 2.529 54.205 52.037 -0.602 0.000 0.629 413 A CB -1.168 17.176 19.000 -1.092 0.000 0.826 413 A HN 0.338 nan 8.150 nan 0.000 0.447 414 A N -0.412 122.348 122.820 -0.100 0.000 1.903 414 A HA -0.275 4.045 4.320 0.000 0.000 0.219 414 A C 2.119 179.803 177.584 0.166 0.000 1.191 414 A CA 2.238 54.318 52.037 0.072 0.000 0.638 414 A CB -0.598 18.428 19.000 0.043 0.000 0.823 414 A HN 0.604 nan 8.150 nan 0.000 0.451 415 K N -0.662 119.787 120.400 0.081 0.000 1.978 415 K HA -0.214 4.106 4.320 0.000 0.000 0.214 415 K C 2.215 178.889 176.600 0.123 0.000 1.049 415 K CA 1.772 58.113 56.287 0.089 0.000 0.939 415 K CB -0.269 32.249 32.500 0.030 0.000 0.721 415 K HN 0.494 nan 8.250 nan 0.000 0.441 416 K N 0.250 120.710 120.400 0.100 0.000 2.189 416 K HA -0.243 4.077 4.320 0.000 0.000 0.207 416 K C 1.953 178.653 176.600 0.167 0.000 1.046 416 K CA 1.613 57.970 56.287 0.117 0.000 0.928 416 K CB -0.174 32.419 32.500 0.153 0.000 0.720 416 K HN 0.127 nan 8.250 nan 0.000 0.458 417 F N 0.231 120.258 119.950 0.129 0.000 2.149 417 F HA -0.098 4.429 4.527 0.000 0.000 0.294 417 F C 1.642 177.517 175.800 0.125 0.000 1.095 417 F CA 0.949 59.050 58.000 0.169 0.000 1.276 417 F CB -0.030 39.141 39.000 0.285 0.000 1.023 417 F HN -0.214 nan 8.300 nan 0.000 0.480 418 V N 0.525 120.618 119.914 0.299 0.000 2.913 418 V HA -0.198 3.922 4.120 0.000 0.000 0.260 418 V C 2.178 178.282 176.094 0.017 0.000 1.098 418 V CA 1.561 63.963 62.300 0.168 0.000 1.121 418 V CB -1.397 30.547 31.823 0.202 0.000 0.714 418 V HN 0.555 nan 8.190 nan 0.000 0.487 419 S N 0.361 116.059 115.700 -0.004 0.000 2.438 419 S HA 0.229 4.700 4.470 0.000 0.000 0.220 419 S C 1.544 176.090 174.600 -0.090 0.000 1.045 419 S CA 0.438 58.618 58.200 -0.033 0.000 0.940 419 S CB -0.809 62.385 63.200 -0.009 0.000 0.863 419 S HN 0.565 nan 8.310 nan 0.000 0.539 420 G N 1.953 110.684 108.800 -0.116 0.000 2.902 420 G HA2 0.131 4.091 3.960 0.000 0.000 0.240 420 G HA3 0.131 4.091 3.960 0.000 0.000 0.240 420 G C -0.418 174.355 174.900 -0.212 0.000 1.244 420 G CA -0.338 44.656 45.100 -0.176 0.000 0.862 420 G HN 0.592 nan 8.290 nan 0.000 0.603 421 K N 0.499 120.759 120.400 -0.234 0.000 2.312 421 K HA 0.216 4.536 4.320 0.000 0.000 0.287 421 K C -0.036 176.480 176.600 -0.141 0.000 1.062 421 K CA -0.291 55.894 56.287 -0.169 0.000 0.934 421 K CB 0.297 32.717 32.500 -0.132 0.000 1.027 421 K HN 0.284 nan 8.250 nan 0.000 0.478 422 K N 1.389 121.707 120.400 -0.137 0.000 2.118 422 K HA 0.197 4.517 4.320 0.000 0.000 0.264 422 K C -0.745 175.802 176.600 -0.088 0.000 1.000 422 K CA -0.438 55.771 56.287 -0.131 0.000 0.929 422 K CB 1.625 34.001 32.500 -0.206 0.000 1.021 422 K HN 0.609 nan 8.250 nan 0.000 0.463 423 S N 1.994 117.636 115.700 -0.097 0.000 2.561 423 S HA 0.577 5.047 4.470 0.000 0.000 0.303 423 S C -0.710 173.774 174.600 -0.194 0.000 1.110 423 S CA -0.995 57.084 58.200 -0.202 0.000 1.034 423 S CB 0.925 63.949 63.200 -0.293 0.000 1.010 423 S HN 0.625 nan 8.310 nan 0.000 0.482 424 M N 3.342 122.814 119.600 -0.213 0.000 2.465 424 M HA 0.753 5.233 4.480 0.000 0.000 0.316 424 M C -1.575 174.598 176.300 -0.210 0.000 1.121 424 M CA -0.687 54.487 55.300 -0.210 0.000 0.934 424 M CB 1.970 34.462 32.600 -0.179 0.000 1.692 424 M HN 0.964 nan 8.290 nan 0.000 0.444 425 A N 3.533 126.216 122.820 -0.228 0.000 2.343 425 A HA 0.933 5.253 4.320 0.000 0.000 0.308 425 A C -1.430 176.014 177.584 -0.233 0.000 1.092 425 A CA -0.458 51.456 52.037 -0.204 0.000 0.751 425 A CB 1.246 20.136 19.000 -0.184 0.000 1.203 425 A HN 1.040 nan 8.150 nan 0.000 0.452 426 A N 1.623 124.330 122.820 -0.188 0.000 2.520 426 A HA 0.883 5.203 4.320 0.000 0.000 0.298 426 A C -0.454 177.052 177.584 -0.129 0.000 1.051 426 A CA 0.045 51.979 52.037 -0.171 0.000 0.690 426 A CB 1.415 20.313 19.000 -0.170 0.000 1.281 426 A HN 2.142 nan 8.150 nan 0.000 0.402 427 S N 0.734 116.373 115.700 -0.102 0.000 2.668 427 S HA 0.913 5.383 4.470 0.000 0.000 0.277 427 S C -0.102 174.453 174.600 -0.075 0.000 1.170 427 S CA 0.068 58.210 58.200 -0.097 0.000 0.994 427 S CB 1.074 64.195 63.200 -0.131 0.000 1.051 427 S HN 2.672 nan 8.310 nan 0.000 0.484 428 G N 1.440 110.216 108.800 -0.040 0.000 2.398 428 G HA2 0.190 4.150 3.960 0.000 0.000 0.251 428 G HA3 0.190 4.150 3.960 0.000 0.000 0.251 428 G C -1.953 172.963 174.900 0.027 0.000 1.277 428 G CA -0.539 44.574 45.100 0.022 0.000 0.927 428 G HN 0.686 nan 8.290 nan 0.000 0.477 429 D N 1.588 122.015 120.400 0.045 0.000 2.508 429 D HA 0.239 4.879 4.640 0.000 0.000 0.224 429 D C 1.559 177.860 176.300 0.002 0.000 1.171 429 D CA -0.256 53.758 54.000 0.023 0.000 1.006 429 D CB 0.051 40.865 40.800 0.024 0.000 1.073 429 D HN 0.331 nan 8.370 nan 0.000 0.513 430 L N 2.225 123.437 121.223 -0.019 0.000 2.675 430 L HA 0.077 4.417 4.340 0.000 0.000 0.238 430 L C 2.440 179.290 176.870 -0.033 0.000 1.155 430 L CA 0.079 54.890 54.840 -0.048 0.000 0.881 430 L CB -0.248 41.751 42.059 -0.100 0.000 1.008 430 L HN 0.341 nan 8.230 nan 0.000 0.443 431 G N -0.068 108.728 108.800 -0.007 0.000 2.507 431 G HA2 -0.256 3.704 3.960 0.000 0.000 0.221 431 G HA3 -0.256 3.704 3.960 0.000 0.000 0.221 431 G C 1.391 176.304 174.900 0.022 0.000 1.119 431 G CA 1.063 46.171 45.100 0.012 0.000 0.751 431 G HN 0.438 nan 8.290 nan 0.000 0.574 432 S N -0.305 115.399 115.700 0.007 0.000 2.663 432 S HA 0.245 4.715 4.470 0.000 0.000 0.243 432 S C 0.187 174.797 174.600 0.017 0.000 1.009 432 S CA -0.368 57.842 58.200 0.016 0.000 0.988 432 S CB 0.901 64.100 63.200 -0.002 0.000 0.896 432 S HN 0.225 nan 8.310 nan 0.000 0.502 433 T N 5.294 119.844 114.554 -0.006 0.000 2.845 433 T HA 0.382 4.732 4.350 0.000 0.000 0.288 433 T C -2.386 172.298 174.700 -0.026 0.000 0.980 433 T CA -1.218 60.864 62.100 -0.030 0.000 1.071 433 T CB 1.235 70.054 68.868 -0.082 0.000 0.941 433 T HN 0.121 nan 8.240 nan 0.000 0.487 434 P HA 0.360 nan 4.420 nan 0.000 0.277 434 P C -0.914 176.412 177.300 0.043 0.000 1.240 434 P CA -0.581 62.577 63.100 0.097 0.000 0.798 434 P CB 0.622 32.380 31.700 0.097 0.000 0.979 435 F N 0.887 120.835 119.950 -0.004 0.000 2.375 435 F HA 0.109 4.636 4.527 0.000 0.000 0.333 435 F C 1.951 177.740 175.800 -0.018 0.000 1.104 435 F CA -0.463 57.527 58.000 -0.016 0.000 1.149 435 F CB 0.260 39.251 39.000 -0.015 0.000 1.190 435 F HN 0.137 nan 8.300 nan 0.000 0.533 436 L N 2.174 123.470 121.223 0.121 0.000 2.103 436 L HA -0.278 4.062 4.340 0.000 0.000 0.215 436 L C 1.768 178.676 176.870 0.062 0.000 1.080 436 L CA 2.190 57.059 54.840 0.047 0.000 0.764 436 L CB -0.938 41.113 42.059 -0.014 0.000 0.890 436 L HN 0.756 nan 8.230 nan 0.000 0.435 437 D N -2.186 118.268 120.400 0.090 0.000 2.336 437 D HA -0.089 4.551 4.640 0.000 0.000 0.229 437 D C 1.099 177.431 176.300 0.052 0.000 1.061 437 D CA 0.510 54.540 54.000 0.050 0.000 0.875 437 D CB -0.267 40.548 40.800 0.025 0.000 0.904 437 D HN 0.561 nan 8.370 nan 0.000 0.525 438 E N -0.051 120.200 120.200 0.086 0.000 2.548 438 E HA 0.227 4.577 4.350 0.000 0.000 0.206 438 E C 0.293 176.937 176.600 0.072 0.000 1.005 438 E CA -0.198 56.247 56.400 0.074 0.000 0.951 438 E CB 0.806 30.567 29.700 0.103 0.000 1.035 438 E HN 0.358 nan 8.360 nan 0.000 0.470 439 L N 0.000 121.268 121.223 0.075 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.891 54.840 0.086 0.000 0.813 439 L CB 0.000 42.129 42.059 0.117 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502