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 1l0q_1_C DATA FIRST_RESID 1 DATA SEQUENCE STFAYIANSE SDNISVIDVT SNKVTATIPV GSNPXGAVIS PDGTKVYVAN DATA SEQUENCE AHSNDVSIID TATNNVIATV PAGSSPQGVA VSPDGKQVYV TNXASSTLSV DATA SEQUENCE IDTTSNTVAG TVKTGKSPLG LALSPDGKKL YVTNNGDKTV SVINTVTKAV DATA SEQUENCE INTVSVGRSP KGIAVTPDGT KVYVANFDSX SISVIDTVTN SVIDTVKVEA DATA SEQUENCE APSGIAVNPE GTKAYVTNVD KYFNTVSXID TGTNKITARI PVGPDPAGIA DATA SEQUENCE VTPDGKKVYV ALSFXNTVSV IDTATNTITA TXAVGKNPYA SGQFIGSIPV DATA SEQUENCE QPVYPSADFK SNITSGYIFL SEPVQFTDLS KDATEWKWDF GDGSSSKKQN DATA SEQUENCE PTHTYSETGI YTVRLTVSNS NGTDSQISTV NVVLKGSPTP S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.674 174.600 0.123 0.000 1.055 1 S CA 0.000 58.274 58.200 0.123 0.000 1.107 1 S CB 0.000 63.440 63.200 0.399 0.000 0.593 2 T N 3.614 118.072 114.554 -0.160 0.000 2.779 2 T HA 0.739 5.089 4.350 -0.000 0.000 0.280 2 T C -1.048 173.395 174.700 -0.429 0.000 0.987 2 T CA -0.236 61.790 62.100 -0.123 0.000 0.966 2 T CB 0.186 68.979 68.868 -0.125 0.000 0.933 2 T HN 0.497 nan 8.240 nan 0.000 0.442 3 F N 1.159 121.101 119.950 -0.014 0.000 2.588 3 F HA 0.731 5.258 4.527 -0.000 0.000 0.314 3 F C 0.192 175.893 175.800 -0.166 0.000 1.069 3 F CA -1.172 56.746 58.000 -0.136 0.000 0.931 3 F CB 1.660 40.542 39.000 -0.198 0.000 1.260 3 F HN 0.612 nan 8.300 nan 0.000 0.465 4 A N 1.409 124.141 122.820 -0.147 0.000 2.337 4 A HA 0.804 5.123 4.320 -0.000 0.000 0.329 4 A C -2.081 175.363 177.584 -0.234 0.000 1.146 4 A CA -0.501 51.517 52.037 -0.031 0.000 0.800 4 A CB 0.511 19.424 19.000 -0.146 0.000 1.220 4 A HN 0.643 nan 8.150 nan 0.000 0.472 5 Y N 2.515 122.929 120.300 0.190 0.000 2.338 5 Y HA 0.446 4.996 4.550 -0.000 0.000 0.328 5 Y C -0.202 175.645 175.900 -0.089 0.000 0.965 5 Y CA -0.985 57.154 58.100 0.066 0.000 1.208 5 Y CB 1.392 39.904 38.460 0.087 0.000 1.132 5 Y HN 0.397 nan 8.280 nan 0.000 0.469 6 I N 3.162 123.692 120.570 -0.066 0.000 2.339 6 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 6 I C 0.341 176.410 176.117 -0.081 0.000 0.994 6 I CA -1.199 59.981 61.300 -0.200 0.000 1.191 6 I CB 0.981 38.860 38.000 -0.202 0.000 1.343 6 I HN 0.671 nan 8.210 nan 0.000 0.458 7 A N 7.126 129.903 122.820 -0.072 0.000 2.354 7 A HA 0.396 4.716 4.320 -0.000 0.000 0.281 7 A C 0.088 177.668 177.584 -0.007 0.000 1.174 7 A CA -0.516 51.514 52.037 -0.012 0.000 0.828 7 A CB -0.174 18.837 19.000 0.017 0.000 1.099 7 A HN 0.703 nan 8.150 nan 0.000 0.516 8 N N 2.721 121.418 118.700 -0.006 0.000 2.678 8 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 8 N C 1.314 176.831 175.510 0.010 0.000 1.038 8 N CA 0.489 53.537 53.050 -0.003 0.000 0.932 8 N CB 1.517 39.990 38.487 -0.022 0.000 1.176 8 N HN 0.773 nan 8.380 nan 0.000 0.511 9 S N 1.625 117.356 115.700 0.050 0.000 2.372 9 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 9 S C 1.259 175.844 174.600 -0.025 0.000 1.044 9 S CA 1.019 59.226 58.200 0.012 0.000 1.050 9 S CB -0.042 63.192 63.200 0.056 0.000 0.901 9 S HN 0.469 nan 8.310 nan 0.000 0.447 10 E N 1.407 121.605 120.200 -0.002 0.000 2.216 10 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 10 E C 1.957 178.546 176.600 -0.020 0.000 0.988 10 E CA 1.191 57.581 56.400 -0.017 0.000 0.834 10 E CB -0.206 29.486 29.700 -0.014 0.000 0.772 10 E HN 0.848 nan 8.360 nan 0.000 0.479 11 S N 0.391 116.079 115.700 -0.019 0.000 2.597 11 S HA 0.047 4.516 4.470 -0.000 0.000 0.224 11 S C -0.032 174.558 174.600 -0.016 0.000 0.955 11 S CA -0.280 57.908 58.200 -0.019 0.000 0.933 11 S CB 0.078 63.264 63.200 -0.023 0.000 0.788 11 S HN -0.075 nan 8.310 nan 0.000 0.488 12 D N 2.706 123.096 120.400 -0.017 0.000 2.704 12 D HA -0.144 4.496 4.640 -0.000 0.000 0.232 12 D C -0.168 176.126 176.300 -0.010 0.000 1.183 12 D CA 1.511 55.502 54.000 -0.015 0.000 0.647 12 D CB -1.811 38.984 40.800 -0.010 0.000 1.013 12 D HN 0.858 nan 8.370 nan 0.000 0.415 13 N N -1.459 117.236 118.700 -0.009 0.000 2.934 13 N HA 0.573 5.312 4.740 -0.000 0.000 0.253 13 N C -1.392 174.118 175.510 0.001 0.000 1.466 13 N CA -0.904 52.143 53.050 -0.005 0.000 0.858 13 N CB 0.851 39.332 38.487 -0.010 0.000 1.459 13 N HN -0.110 nan 8.380 nan 0.000 0.532 14 I N 0.520 121.097 120.570 0.012 0.000 2.433 14 I HA 0.405 4.574 4.170 -0.000 0.000 0.292 14 I C -0.293 175.834 176.117 0.017 0.000 1.001 14 I CA -0.580 60.738 61.300 0.031 0.000 1.119 14 I CB 1.345 39.394 38.000 0.082 0.000 1.289 14 I HN 0.545 nan 8.210 nan 0.000 0.438 15 S N 5.030 120.725 115.700 -0.008 0.000 2.438 15 S HA 0.494 4.964 4.470 -0.000 0.000 0.293 15 S C -0.049 174.510 174.600 -0.068 0.000 1.141 15 S CA -0.544 57.633 58.200 -0.038 0.000 1.080 15 S CB 1.500 64.670 63.200 -0.051 0.000 0.978 15 S HN 0.306 nan 8.310 nan 0.000 0.479 16 V N 5.571 125.427 119.914 -0.097 0.000 2.383 16 V HA 0.409 4.528 4.120 -0.000 0.000 0.275 16 V C -0.118 175.895 176.094 -0.135 0.000 1.036 16 V CA -0.364 61.807 62.300 -0.215 0.000 0.889 16 V CB 0.483 32.204 31.823 -0.170 0.000 0.985 16 V HN 0.751 nan 8.190 nan 0.000 0.459 17 I N 3.794 124.289 120.570 -0.125 0.000 2.406 17 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 17 I C -0.149 175.957 176.117 -0.019 0.000 0.999 17 I CA -0.528 60.749 61.300 -0.038 0.000 1.124 17 I CB 1.896 39.898 38.000 0.003 0.000 1.289 17 I HN 0.510 nan 8.210 nan 0.000 0.441 18 D N 6.293 126.655 120.400 -0.062 0.000 2.374 18 D HA 0.039 4.679 4.640 -0.000 0.000 0.240 18 D C 1.249 177.373 176.300 -0.292 0.000 1.229 18 D CA -0.177 53.578 54.000 -0.408 0.000 0.895 18 D CB 1.477 42.138 40.800 -0.232 0.000 1.046 18 D HN 0.464 nan 8.370 nan 0.000 0.498 19 V N 2.587 122.290 119.914 -0.352 0.000 2.453 19 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 19 V C 1.894 177.943 176.094 -0.075 0.000 1.068 19 V CA 1.955 64.167 62.300 -0.146 0.000 1.070 19 V CB -1.159 30.527 31.823 -0.227 0.000 0.664 19 V HN 0.468 nan 8.190 nan 0.000 0.461 20 T N 1.974 116.425 114.554 -0.172 0.000 2.622 20 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 20 T C 1.958 176.618 174.700 -0.067 0.000 1.047 20 T CA 2.575 64.610 62.100 -0.108 0.000 1.159 20 T CB -0.525 68.264 68.868 -0.131 0.000 0.863 20 T HN 0.891 nan 8.240 nan 0.000 0.422 21 S N 0.586 116.239 115.700 -0.079 0.000 2.548 21 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 21 S C 0.678 175.257 174.600 -0.036 0.000 0.976 21 S CA -0.107 58.062 58.200 -0.052 0.000 0.908 21 S CB -0.164 63.002 63.200 -0.055 0.000 0.781 21 S HN 0.440 nan 8.310 nan 0.000 0.519 22 N N 1.355 120.047 118.700 -0.014 0.000 2.754 22 N HA -0.120 4.620 4.740 -0.000 0.000 0.248 22 N C -1.022 174.485 175.510 -0.006 0.000 1.093 22 N CA 0.973 54.038 53.050 0.026 0.000 0.699 22 N CB -1.226 37.258 38.487 -0.006 0.000 1.016 22 N HN 0.655 nan 8.380 nan 0.000 0.552 23 K N 0.075 120.456 120.400 -0.032 0.000 2.259 23 K HA 0.499 4.819 4.320 -0.000 0.000 0.252 23 K C 0.034 176.593 176.600 -0.068 0.000 0.936 23 K CA -0.782 55.473 56.287 -0.054 0.000 0.810 23 K CB 2.314 34.770 32.500 -0.073 0.000 1.143 23 K HN -0.186 nan 8.250 nan 0.000 0.427 24 V N 3.041 122.909 119.914 -0.076 0.000 2.415 24 V HA -0.032 4.088 4.120 -0.000 0.000 0.267 24 V C 1.495 177.492 176.094 -0.162 0.000 1.042 24 V CA 0.318 62.561 62.300 -0.095 0.000 1.000 24 V CB 0.403 32.179 31.823 -0.078 0.000 1.015 24 V HN 1.011 nan 8.190 nan 0.000 0.478 25 T N 1.514 115.922 114.554 -0.244 0.000 3.057 25 T HA 0.533 4.883 4.350 -0.000 0.000 0.254 25 T C 0.479 174.924 174.700 -0.425 0.000 1.094 25 T CA 0.528 62.322 62.100 -0.511 0.000 1.088 25 T CB 0.403 68.658 68.868 -1.021 0.000 0.934 25 T HN 0.979 nan 8.240 nan 0.000 0.497 26 A N 0.146 122.849 122.820 -0.196 0.000 2.608 26 A HA 0.638 4.958 4.320 -0.000 0.000 0.292 26 A C -0.964 176.598 177.584 -0.037 0.000 1.066 26 A CA -0.824 51.180 52.037 -0.054 0.000 0.676 26 A CB 1.206 20.259 19.000 0.089 0.000 1.277 26 A HN 0.124 nan 8.150 nan 0.000 0.413 27 T N 1.540 116.084 114.554 -0.017 0.000 2.840 27 T HA 0.582 4.932 4.350 -0.000 0.000 0.287 27 T C -0.776 173.924 174.700 0.000 0.000 0.991 27 T CA 0.052 62.144 62.100 -0.014 0.000 0.964 27 T CB 0.404 69.256 68.868 -0.027 0.000 0.954 27 T HN 0.448 nan 8.240 nan 0.000 0.438 28 I N 5.617 126.194 120.570 0.013 0.000 2.355 28 I HA 0.331 4.501 4.170 -0.000 0.000 0.288 28 I C -2.275 173.844 176.117 0.004 0.000 0.999 28 I CA -2.690 58.618 61.300 0.013 0.000 1.163 28 I CB 1.856 39.874 38.000 0.030 0.000 1.316 28 I HN 0.289 nan 8.210 nan 0.000 0.454 29 P HA 0.080 nan 4.420 nan 0.000 0.268 29 P C -0.148 177.147 177.300 -0.007 0.000 1.204 29 P CA 0.042 63.138 63.100 -0.007 0.000 0.768 29 P CB 0.978 32.672 31.700 -0.010 0.000 0.842 30 V N 1.294 121.205 119.914 -0.006 0.000 5.412 30 V HA 0.873 4.993 4.120 -0.000 0.000 0.289 30 V C 0.637 176.729 176.094 -0.003 0.000 1.523 30 V CA -0.164 62.132 62.300 -0.006 0.000 0.771 30 V CB 0.219 32.041 31.823 -0.003 0.000 1.379 30 V HN 0.550 nan 8.190 nan 0.000 0.431 31 G N -0.088 108.712 108.800 -0.000 0.000 2.531 31 G HA2 0.488 4.448 3.960 -0.000 0.000 0.253 31 G HA3 0.488 4.448 3.960 -0.000 0.000 0.253 31 G C -0.301 174.602 174.900 0.004 0.000 1.439 31 G CA -0.214 44.889 45.100 0.005 0.000 1.056 31 G HN 0.819 nan 8.290 nan 0.000 0.555 32 S N 0.135 115.845 115.700 0.017 0.000 2.489 32 S HA 0.282 4.752 4.470 -0.000 0.000 0.277 32 S C -0.012 174.570 174.600 -0.030 0.000 1.230 32 S CA -0.237 57.975 58.200 0.020 0.000 1.053 32 S CB 0.602 63.850 63.200 0.080 0.000 0.955 32 S HN 0.560 nan 8.310 nan 0.000 0.488 33 N N 1.708 120.345 118.700 -0.104 0.000 2.671 33 N HA -0.117 4.623 4.740 -0.000 0.000 0.261 33 N C -2.594 172.834 175.510 -0.136 0.000 1.053 33 N CA 0.417 53.337 53.050 -0.216 0.000 0.732 33 N CB -0.853 37.270 38.487 -0.607 0.000 0.887 33 N HN 0.393 nan 8.380 nan 0.000 0.546 37 A N -0.672 122.241 122.820 0.155 0.000 2.515 37 A HA 0.966 5.286 4.320 -0.000 0.000 0.298 37 A C -1.331 176.390 177.584 0.228 0.000 1.059 37 A CA -0.652 51.484 52.037 0.167 0.000 0.698 37 A CB 2.226 21.317 19.000 0.152 0.000 1.289 37 A HN 2.156 nan 8.150 nan 0.000 0.404 38 V N 2.745 122.775 119.914 0.194 0.000 2.808 38 V HA 0.629 4.748 4.120 -0.000 0.000 0.308 38 V C -1.232 174.955 176.094 0.156 0.000 1.099 38 V CA -0.556 61.856 62.300 0.187 0.000 0.920 38 V CB 1.676 33.597 31.823 0.164 0.000 1.014 38 V HN 0.996 nan 8.190 nan 0.000 0.425 39 I N 5.852 126.486 120.570 0.108 0.000 2.385 39 I HA 0.539 4.709 4.170 -0.000 0.000 0.294 39 I C 0.821 176.997 176.117 0.099 0.000 0.988 39 I CA 0.094 61.422 61.300 0.046 0.000 1.265 39 I CB 1.868 39.883 38.000 0.023 0.000 1.388 39 I HN 0.928 nan 8.210 nan 0.000 0.480 40 S N 6.499 122.274 115.700 0.125 0.000 2.576 40 S HA 0.194 4.663 4.470 -0.000 0.000 0.272 40 S C -1.821 172.823 174.600 0.073 0.000 1.352 40 S CA -0.744 57.532 58.200 0.126 0.000 1.021 40 S CB 0.436 63.730 63.200 0.157 0.000 0.887 40 S HN 0.548 nan 8.310 nan 0.000 0.542 41 P HA -0.122 nan 4.420 nan 0.000 0.216 41 P C 0.753 178.079 177.300 0.043 0.000 1.150 41 P CA 1.554 64.682 63.100 0.047 0.000 0.837 41 P CB -0.152 31.572 31.700 0.041 0.000 0.786 42 D N -2.133 118.293 120.400 0.043 0.000 2.340 42 D HA 0.093 4.732 4.640 -0.000 0.000 0.220 42 D C 1.359 177.682 176.300 0.037 0.000 1.039 42 D CA 0.496 54.518 54.000 0.036 0.000 0.866 42 D CB -1.126 39.691 40.800 0.030 0.000 0.913 42 D HN 0.178 nan 8.370 nan 0.000 0.523 43 G N 0.319 109.144 108.800 0.042 0.000 2.166 43 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 43 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 43 G C 1.119 176.023 174.900 0.007 0.000 0.986 43 G CA 1.245 46.369 45.100 0.040 0.000 0.683 43 G HN 0.594 nan 8.290 nan 0.000 0.527 44 T N -3.311 111.239 114.554 -0.006 0.000 3.014 44 T HA 0.367 4.717 4.350 -0.000 0.000 0.263 44 T C 0.950 175.594 174.700 -0.093 0.000 1.078 44 T CA 1.214 63.293 62.100 -0.035 0.000 1.135 44 T CB 0.533 69.391 68.868 -0.018 0.000 0.895 44 T HN 0.332 nan 8.240 nan 0.000 0.480 45 K N 0.790 121.127 120.400 -0.105 0.000 2.435 45 K HA 0.724 5.043 4.320 -0.000 0.000 0.251 45 K C -1.574 174.826 176.600 -0.334 0.000 0.954 45 K CA -0.741 55.389 56.287 -0.261 0.000 0.820 45 K CB 3.043 35.371 32.500 -0.287 0.000 1.292 45 K HN -0.005 nan 8.250 nan 0.000 0.436 46 V N 2.510 122.094 119.914 -0.549 0.000 2.604 46 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 46 V C -1.401 174.353 176.094 -0.567 0.000 1.043 46 V CA -0.866 61.156 62.300 -0.463 0.000 0.888 46 V CB 1.324 32.770 31.823 -0.627 0.000 0.995 46 V HN 0.568 nan 8.190 nan 0.000 0.429 47 Y N 2.794 123.044 120.300 -0.082 0.000 2.393 47 Y HA 0.729 5.279 4.550 -0.000 0.000 0.341 47 Y C -0.066 175.825 175.900 -0.015 0.000 0.988 47 Y CA -1.005 57.069 58.100 -0.044 0.000 1.078 47 Y CB 2.111 40.552 38.460 -0.032 0.000 1.203 47 Y HN 0.336 nan 8.280 nan 0.000 0.453 48 V N 2.424 122.397 119.914 0.100 0.000 2.487 48 V HA 0.693 4.813 4.120 -0.000 0.000 0.298 48 V C -0.297 175.838 176.094 0.067 0.000 1.028 48 V CA -1.217 61.125 62.300 0.070 0.000 0.860 48 V CB 1.517 33.357 31.823 0.028 0.000 0.991 48 V HN 0.894 nan 8.190 nan 0.000 0.427 49 A N 4.231 127.088 122.820 0.062 0.000 2.343 49 A HA 0.468 4.788 4.320 -0.000 0.000 0.305 49 A C 0.210 177.806 177.584 0.020 0.000 1.308 49 A CA -0.414 51.649 52.037 0.044 0.000 0.949 49 A CB -0.258 18.768 19.000 0.042 0.000 1.148 49 A HN 0.778 nan 8.150 nan 0.000 0.545 50 N N 2.836 121.548 118.700 0.019 0.000 2.521 50 N HA 0.245 4.985 4.740 -0.000 0.000 0.236 50 N C 1.155 176.675 175.510 0.016 0.000 1.067 50 N CA 0.491 53.545 53.050 0.008 0.000 0.939 50 N CB 1.617 40.114 38.487 0.016 0.000 1.201 50 N HN 0.708 nan 8.380 nan 0.000 0.511 51 A N 1.804 124.617 122.820 -0.011 0.000 2.019 51 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 51 A C 1.392 179.081 177.584 0.175 0.000 1.164 51 A CA 1.269 53.323 52.037 0.029 0.000 0.644 51 A CB -0.377 18.596 19.000 -0.045 0.000 0.805 51 A HN 0.720 nan 8.150 nan 0.000 0.449 52 H N -1.310 117.747 119.070 -0.022 0.000 2.622 52 H HA 0.094 4.650 4.556 -0.000 0.000 0.269 52 H C 1.260 176.581 175.328 -0.013 0.000 0.977 52 H CA 0.462 56.498 56.048 -0.019 0.000 1.179 52 H CB 0.423 30.174 29.762 -0.019 0.000 1.458 52 H HN 0.635 nan 8.280 nan 0.000 0.531 53 S N 0.074 115.838 115.700 0.108 0.000 2.663 53 S HA 0.016 4.485 4.470 -0.000 0.000 0.243 53 S C 0.182 174.803 174.600 0.035 0.000 1.009 53 S CA -0.646 57.586 58.200 0.054 0.000 0.988 53 S CB -0.098 63.127 63.200 0.041 0.000 0.896 53 S HN 0.236 nan 8.310 nan 0.000 0.502 54 N N 3.493 122.217 118.700 0.040 0.000 2.700 54 N HA -0.156 4.584 4.740 -0.000 0.000 0.265 54 N C -0.756 174.767 175.510 0.022 0.000 0.975 54 N CA 1.978 55.044 53.050 0.028 0.000 0.800 54 N CB -1.223 37.273 38.487 0.016 0.000 0.908 54 N HN 0.958 nan 8.380 nan 0.000 0.551 55 D N -3.514 116.901 120.400 0.025 0.000 2.692 55 D HA 0.585 5.224 4.640 -0.000 0.000 0.303 55 D C -0.841 175.476 176.300 0.029 0.000 1.278 55 D CA -0.688 53.326 54.000 0.023 0.000 0.852 55 D CB 0.978 41.789 40.800 0.018 0.000 1.375 55 D HN -0.152 nan 8.370 nan 0.000 0.453 56 V N 0.283 120.218 119.914 0.035 0.000 2.588 56 V HA 0.610 4.730 4.120 -0.000 0.000 0.304 56 V C -0.432 175.689 176.094 0.045 0.000 1.042 56 V CA -0.642 61.690 62.300 0.054 0.000 0.877 56 V CB 1.737 33.609 31.823 0.083 0.000 0.996 56 V HN 0.667 nan 8.190 nan 0.000 0.425 57 S N 5.416 121.133 115.700 0.028 0.000 2.554 57 S HA 0.653 5.123 4.470 -0.000 0.000 0.278 57 S C -0.320 174.247 174.600 -0.055 0.000 1.242 57 S CA -0.374 57.820 58.200 -0.010 0.000 1.051 57 S CB 0.956 64.144 63.200 -0.021 0.000 0.986 57 S HN 0.514 nan 8.310 nan 0.000 0.502 58 I N 3.415 123.923 120.570 -0.103 0.000 2.355 58 I HA 0.413 4.583 4.170 -0.000 0.000 0.288 58 I C -0.669 175.301 176.117 -0.244 0.000 0.999 58 I CA -0.331 60.818 61.300 -0.252 0.000 1.163 58 I CB 0.986 38.879 38.000 -0.178 0.000 1.316 58 I HN 0.415 nan 8.210 nan 0.000 0.454 59 I N 5.049 125.422 120.570 -0.327 0.000 2.412 59 I HA 0.227 4.396 4.170 -0.000 0.000 0.296 59 I C -0.180 175.780 176.117 -0.262 0.000 0.987 59 I CA -0.541 60.614 61.300 -0.241 0.000 1.180 59 I CB 1.787 39.662 38.000 -0.209 0.000 1.340 59 I HN 0.493 nan 8.210 nan 0.000 0.455 60 D N 4.291 124.586 120.400 -0.176 0.000 2.380 60 D HA 0.055 4.694 4.640 -0.000 0.000 0.230 60 D C 1.246 177.466 176.300 -0.132 0.000 1.154 60 D CA -0.254 53.657 54.000 -0.148 0.000 0.859 60 D CB 1.367 42.101 40.800 -0.109 0.000 1.045 60 D HN 0.691 nan 8.370 nan 0.000 0.495 61 T N 1.094 115.562 114.554 -0.142 0.000 3.025 61 T HA -0.069 4.280 4.350 -0.000 0.000 0.270 61 T C 1.563 176.204 174.700 -0.099 0.000 1.126 61 T CA 0.900 62.942 62.100 -0.098 0.000 1.105 61 T CB 0.051 68.873 68.868 -0.076 0.000 0.884 61 T HN 0.299 nan 8.240 nan 0.000 0.522 62 A N 1.606 124.364 122.820 -0.103 0.000 2.081 62 A HA 0.201 4.521 4.320 -0.000 0.000 0.214 62 A C 2.412 179.908 177.584 -0.145 0.000 1.158 62 A CA 1.183 53.149 52.037 -0.118 0.000 0.724 62 A CB -0.378 18.570 19.000 -0.087 0.000 0.826 62 A HN 0.685 nan 8.150 nan 0.000 0.463 63 T N -5.514 108.966 114.554 -0.123 0.000 3.043 63 T HA 0.143 4.492 4.350 -0.000 0.000 0.272 63 T C 0.426 175.066 174.700 -0.102 0.000 0.990 63 T CA 0.342 62.369 62.100 -0.121 0.000 0.897 63 T CB -0.124 68.689 68.868 -0.092 0.000 1.111 63 T HN 0.270 nan 8.240 nan 0.000 0.529 64 N N 1.807 120.457 118.700 -0.083 0.000 2.714 64 N HA -0.145 4.594 4.740 -0.000 0.000 0.250 64 N C -0.969 174.518 175.510 -0.038 0.000 1.117 64 N CA 0.703 53.733 53.050 -0.033 0.000 0.719 64 N CB -1.952 36.535 38.487 -0.001 0.000 1.081 64 N HN 0.734 nan 8.380 nan 0.000 0.557 65 N N -0.741 117.923 118.700 -0.060 0.000 2.443 65 N HA 0.405 5.145 4.740 -0.000 0.000 0.295 65 N C -0.277 175.192 175.510 -0.067 0.000 1.076 65 N CA -0.672 52.344 53.050 -0.056 0.000 0.919 65 N CB 1.689 40.142 38.487 -0.058 0.000 1.176 65 N HN -0.185 nan 8.380 nan 0.000 0.487 66 V N 3.706 123.586 119.914 -0.057 0.000 2.372 66 V HA 0.068 4.188 4.120 -0.000 0.000 0.261 66 V C 1.320 177.378 176.094 -0.060 0.000 1.055 66 V CA -0.105 62.156 62.300 -0.064 0.000 0.930 66 V CB -0.173 31.622 31.823 -0.046 0.000 1.031 66 V HN 0.655 nan 8.190 nan 0.000 0.479 67 I N 2.144 122.670 120.570 -0.073 0.000 3.578 67 I HA 0.636 4.806 4.170 -0.000 0.000 0.295 67 I C 0.737 176.827 176.117 -0.045 0.000 1.280 67 I CA 0.448 61.713 61.300 -0.058 0.000 1.347 67 I CB 0.121 38.082 38.000 -0.065 0.000 1.051 67 I HN 0.541 nan 8.210 nan 0.000 0.460 68 A N 0.140 122.932 122.820 -0.046 0.000 2.583 68 A HA 0.695 5.015 4.320 -0.000 0.000 0.292 68 A C -0.701 176.871 177.584 -0.020 0.000 1.045 68 A CA -0.448 51.573 52.037 -0.027 0.000 0.672 68 A CB 1.010 19.999 19.000 -0.018 0.000 1.283 68 A HN 0.063 nan 8.150 nan 0.000 0.419 69 T N 1.374 115.923 114.554 -0.007 0.000 2.965 69 T HA 0.523 4.873 4.350 -0.000 0.000 0.306 69 T C -0.867 173.839 174.700 0.009 0.000 0.991 69 T CA -0.294 61.807 62.100 0.002 0.000 1.001 69 T CB 1.034 69.901 68.868 -0.002 0.000 0.984 69 T HN 0.804 nan 8.240 nan 0.000 0.446 70 V N 6.556 126.482 119.914 0.020 0.000 2.439 70 V HA 0.424 4.544 4.120 -0.000 0.000 0.282 70 V C -1.959 174.144 176.094 0.015 0.000 1.039 70 V CA -2.234 60.077 62.300 0.018 0.000 0.913 70 V CB 1.220 33.059 31.823 0.025 0.000 0.983 70 V HN 0.635 nan 8.190 nan 0.000 0.460 71 P HA 0.313 nan 4.420 nan 0.000 0.276 71 P C -0.319 176.985 177.300 0.007 0.000 1.235 71 P CA 0.182 63.286 63.100 0.008 0.000 0.772 71 P CB 1.705 33.407 31.700 0.004 0.000 0.871 72 A N 4.169 126.995 122.820 0.010 0.000 3.792 72 A HA 0.824 5.144 4.320 -0.000 0.000 0.176 72 A C 0.724 178.314 177.584 0.008 0.000 1.354 72 A CA 0.218 52.260 52.037 0.009 0.000 1.480 72 A CB -0.265 18.743 19.000 0.014 0.000 1.585 72 A HN 0.520 nan 8.150 nan 0.000 0.640 73 G N -1.075 107.731 108.800 0.011 0.000 2.857 73 G HA2 0.453 4.412 3.960 -0.000 0.000 0.217 73 G HA3 0.453 4.412 3.960 -0.000 0.000 0.217 73 G C -0.306 174.600 174.900 0.010 0.000 1.357 73 G CA 0.408 45.514 45.100 0.009 0.000 1.033 73 G HN 0.819 nan 8.290 nan 0.000 0.571 74 S N -0.631 115.073 115.700 0.007 0.000 2.430 74 S HA 0.410 4.880 4.470 -0.000 0.000 0.289 74 S C 0.550 175.156 174.600 0.011 0.000 1.143 74 S CA 0.796 59.000 58.200 0.006 0.000 1.067 74 S CB 0.019 63.218 63.200 -0.001 0.000 0.964 74 S HN 1.606 nan 8.310 nan 0.000 0.485 75 S N 4.739 120.452 115.700 0.022 0.000 3.866 75 S HA -0.069 4.401 4.470 -0.000 0.000 0.427 75 S C -2.453 172.159 174.600 0.020 0.000 0.891 75 S CA -0.176 58.044 58.200 0.033 0.000 1.275 75 S CB -0.849 62.367 63.200 0.025 0.000 0.872 75 S HN 0.708 nan 8.310 nan 0.000 0.562 76 P HA 0.143 nan 4.420 nan 0.000 0.268 76 P C 0.421 177.726 177.300 0.009 0.000 1.204 76 P CA 0.054 63.166 63.100 0.019 0.000 0.768 76 P CB 0.772 32.487 31.700 0.025 0.000 0.842 77 Q N 1.610 121.416 119.800 0.010 0.000 2.580 77 Q HA 0.243 4.583 4.340 -0.000 0.000 0.239 77 Q C 1.085 177.099 176.000 0.024 0.000 0.873 77 Q CA 0.826 56.628 55.803 -0.002 0.000 0.951 77 Q CB 0.409 29.139 28.738 -0.014 0.000 1.172 77 Q HN 0.626 nan 8.270 nan 0.000 0.616 78 G N 0.641 109.467 108.800 0.043 0.000 2.533 78 G HA2 0.585 4.545 3.960 -0.000 0.000 0.304 78 G HA3 0.585 4.545 3.960 -0.000 0.000 0.304 78 G C -1.053 173.893 174.900 0.077 0.000 1.263 78 G CA -0.426 44.715 45.100 0.069 0.000 0.964 78 G HN 0.008 nan 8.290 nan 0.000 0.479 79 V N -2.338 117.632 119.914 0.093 0.000 2.925 79 V HA 0.973 5.093 4.120 -0.000 0.000 0.311 79 V C -0.148 176.003 176.094 0.095 0.000 1.104 79 V CA -0.985 61.366 62.300 0.086 0.000 0.954 79 V CB 1.229 33.105 31.823 0.088 0.000 1.022 79 V HN 1.764 nan 8.190 nan 0.000 0.427 80 A N 2.581 125.457 122.820 0.094 0.000 2.486 80 A HA 0.904 5.223 4.320 -0.000 0.000 0.300 80 A C -1.079 176.561 177.584 0.093 0.000 1.048 80 A CA -0.679 51.428 52.037 0.116 0.000 0.696 80 A CB 2.116 21.207 19.000 0.152 0.000 1.278 80 A HN 1.371 nan 8.150 nan 0.000 0.405 81 V N 2.130 122.076 119.914 0.053 0.000 2.483 81 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 81 V C 0.896 177.035 176.094 0.076 0.000 1.035 81 V CA -0.241 62.045 62.300 -0.023 0.000 0.896 81 V CB 1.579 33.370 31.823 -0.054 0.000 0.986 81 V HN 1.178 nan 8.190 nan 0.000 0.447 82 S N 4.617 120.365 115.700 0.079 0.000 2.569 82 S HA 0.147 4.617 4.470 -0.000 0.000 0.274 82 S C -1.701 172.939 174.600 0.067 0.000 1.353 82 S CA -0.525 57.758 58.200 0.138 0.000 1.023 82 S CB 0.417 63.681 63.200 0.107 0.000 0.876 82 S HN 0.589 nan 8.310 nan 0.000 0.540 83 P HA -0.116 nan 4.420 nan 0.000 0.218 83 P C 0.732 178.052 177.300 0.034 0.000 1.148 83 P CA 1.530 64.658 63.100 0.046 0.000 0.822 83 P CB -0.129 31.597 31.700 0.043 0.000 0.784 84 D N -2.286 118.130 120.400 0.028 0.000 2.328 84 D HA 0.107 4.747 4.640 -0.000 0.000 0.221 84 D C 1.368 177.675 176.300 0.011 0.000 1.072 84 D CA 0.397 54.408 54.000 0.018 0.000 0.850 84 D CB -1.030 39.779 40.800 0.015 0.000 0.922 84 D HN 0.179 nan 8.370 nan 0.000 0.516 85 G N 1.028 109.831 108.800 0.005 0.000 2.175 85 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.265 85 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.265 85 G C 1.117 175.996 174.900 -0.035 0.000 0.979 85 G CA 0.693 45.790 45.100 -0.006 0.000 0.663 85 G HN 0.447 nan 8.290 nan 0.000 0.533 86 K N -0.485 119.887 120.400 -0.046 0.000 2.262 86 K HA 0.078 4.398 4.320 -0.000 0.000 0.200 86 K C 1.057 177.578 176.600 -0.132 0.000 1.049 86 K CA 0.737 56.986 56.287 -0.062 0.000 0.979 86 K CB 0.260 32.738 32.500 -0.037 0.000 0.773 86 K HN 0.575 nan 8.250 nan 0.000 0.474 87 Q N 0.827 120.506 119.800 -0.201 0.000 2.356 87 Q HA 0.411 4.750 4.340 -0.000 0.000 0.270 87 Q C -1.260 174.370 176.000 -0.617 0.000 1.058 87 Q CA -0.602 54.964 55.803 -0.395 0.000 0.802 87 Q CB 3.096 31.578 28.738 -0.427 0.000 1.303 87 Q HN -0.178 nan 8.270 nan 0.000 0.444 88 V N 2.565 122.057 119.914 -0.703 0.000 2.555 88 V HA 0.445 4.565 4.120 -0.000 0.000 0.302 88 V C -1.324 174.348 176.094 -0.703 0.000 1.038 88 V CA -0.702 61.188 62.300 -0.683 0.000 0.887 88 V CB 1.116 32.515 31.823 -0.706 0.000 0.991 88 V HN 0.619 nan 8.190 nan 0.000 0.434 89 Y N 2.913 123.139 120.300 -0.123 0.000 2.377 89 Y HA 0.733 5.283 4.550 -0.001 0.000 0.339 89 Y C -0.057 175.814 175.900 -0.048 0.000 1.011 89 Y CA -1.007 57.051 58.100 -0.069 0.000 1.093 89 Y CB 1.967 40.398 38.460 -0.049 0.000 1.201 89 Y HN 0.322 nan 8.280 nan 0.000 0.455 90 V N 1.945 121.920 119.914 0.101 0.000 2.531 90 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 90 V C -0.438 175.692 176.094 0.061 0.000 1.034 90 V CA -1.170 61.167 62.300 0.063 0.000 0.865 90 V CB 1.955 33.796 31.823 0.029 0.000 0.995 90 V HN 0.865 nan 8.190 nan 0.000 0.424 91 T N 1.798 116.384 114.554 0.053 0.000 2.794 91 T HA 0.459 4.809 4.350 -0.000 0.000 0.296 91 T C -0.123 174.593 174.700 0.026 0.000 0.949 91 T CA -0.648 61.475 62.100 0.038 0.000 1.101 91 T CB 0.556 69.445 68.868 0.035 0.000 0.905 91 T HN 0.580 nan 8.240 nan 0.000 0.516 95 S N -0.318 115.382 115.700 -0.000 0.000 2.535 95 S HA 0.338 4.807 4.470 -0.000 0.000 0.214 95 S C 0.691 175.292 174.600 0.001 0.000 0.980 95 S CA 1.111 59.311 58.200 -0.000 0.000 0.907 95 S CB -0.182 63.019 63.200 0.001 0.000 0.790 95 S HN 1.348 nan 8.310 nan 0.000 0.510 96 S N 1.438 117.140 115.700 0.002 0.000 3.711 96 S HA -0.108 4.361 4.470 -0.000 0.000 0.374 96 S C 0.168 174.771 174.600 0.005 0.000 0.969 96 S CA 0.832 59.034 58.200 0.003 0.000 1.198 96 S CB -2.307 60.894 63.200 0.002 0.000 0.903 96 S HN 1.236 nan 8.310 nan 0.000 0.493 97 T N -1.708 112.850 114.554 0.008 0.000 2.841 97 T HA 0.794 5.144 4.350 -0.000 0.000 0.296 97 T C -0.913 173.798 174.700 0.017 0.000 1.166 97 T CA -1.068 61.038 62.100 0.010 0.000 1.007 97 T CB 2.035 70.909 68.868 0.009 0.000 1.253 97 T HN 0.350 nan 8.240 nan 0.000 0.511 98 L N 1.109 122.345 121.223 0.023 0.000 2.356 98 L HA 0.739 5.078 4.340 -0.000 0.000 0.277 98 L C -0.513 176.386 176.870 0.048 0.000 0.996 98 L CA -0.213 54.652 54.840 0.041 0.000 0.822 98 L CB 2.124 44.211 42.059 0.047 0.000 1.256 98 L HN 0.859 nan 8.230 nan 0.000 0.413 99 S N 3.182 118.909 115.700 0.045 0.000 2.508 99 S HA 0.659 5.128 4.470 -0.000 0.000 0.284 99 S C -0.626 173.986 174.600 0.020 0.000 1.192 99 S CA -0.546 57.668 58.200 0.025 0.000 1.070 99 S CB 1.587 64.791 63.200 0.008 0.000 1.004 99 S HN 0.414 nan 8.310 nan 0.000 0.493 100 V N 4.616 124.524 119.914 -0.010 0.000 2.459 100 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 100 V C -0.349 175.664 176.094 -0.135 0.000 1.029 100 V CA -0.541 61.703 62.300 -0.093 0.000 0.874 100 V CB 1.276 33.080 31.823 -0.031 0.000 0.985 100 V HN 0.757 nan 8.190 nan 0.000 0.438 101 I N 3.627 124.061 120.570 -0.227 0.000 2.406 101 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 101 I C -0.233 175.769 176.117 -0.192 0.000 0.999 101 I CA -0.365 60.833 61.300 -0.170 0.000 1.124 101 I CB 1.817 39.729 38.000 -0.145 0.000 1.289 101 I HN 0.618 nan 8.210 nan 0.000 0.441 102 D N 5.215 125.545 120.400 -0.117 0.000 2.336 102 D HA 0.031 4.671 4.640 -0.000 0.000 0.249 102 D C 1.172 177.434 176.300 -0.065 0.000 1.213 102 D CA -0.103 53.840 54.000 -0.096 0.000 0.870 102 D CB 1.422 42.185 40.800 -0.060 0.000 1.076 102 D HN 0.713 nan 8.370 nan 0.000 0.483 103 T N 0.383 114.895 114.554 -0.069 0.000 3.035 103 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 103 T C 1.617 176.323 174.700 0.010 0.000 1.109 103 T CA 0.779 62.877 62.100 -0.004 0.000 1.119 103 T CB -0.027 68.848 68.868 0.011 0.000 0.900 103 T HN 0.275 nan 8.240 nan 0.000 0.503 104 T N 2.117 116.665 114.554 -0.010 0.000 2.951 104 T HA 0.007 4.357 4.350 -0.000 0.000 0.268 104 T C 2.125 176.822 174.700 -0.005 0.000 1.073 104 T CA 1.344 63.441 62.100 -0.005 0.000 1.134 104 T CB -0.226 68.636 68.868 -0.011 0.000 0.884 104 T HN 0.734 nan 8.240 nan 0.000 0.479 105 S N 0.001 115.696 115.700 -0.008 0.000 2.559 105 S HA 0.158 4.627 4.470 -0.000 0.000 0.226 105 S C 0.507 175.106 174.600 -0.003 0.000 1.030 105 S CA -0.406 57.789 58.200 -0.007 0.000 0.956 105 S CB 0.033 63.226 63.200 -0.012 0.000 0.900 105 S HN 0.266 nan 8.310 nan 0.000 0.510 106 N N 2.584 121.285 118.700 0.002 0.000 2.714 106 N HA -0.115 4.625 4.740 -0.000 0.000 0.253 106 N C -0.405 175.107 175.510 0.003 0.000 1.024 106 N CA 1.591 54.650 53.050 0.015 0.000 0.726 106 N CB -1.777 36.723 38.487 0.022 0.000 0.908 106 N HN 0.946 nan 8.380 nan 0.000 0.542 107 T N -4.921 109.626 114.554 -0.010 0.000 2.883 107 T HA 0.579 4.929 4.350 -0.000 0.000 0.301 107 T C 0.065 174.749 174.700 -0.026 0.000 1.158 107 T CA -0.857 61.235 62.100 -0.014 0.000 1.007 107 T CB 2.089 70.950 68.868 -0.012 0.000 1.186 107 T HN -0.107 nan 8.240 nan 0.000 0.499 108 V N 1.675 121.576 119.914 -0.022 0.000 2.585 108 V HA 0.480 4.600 4.120 -0.000 0.000 0.296 108 V C 1.213 177.290 176.094 -0.028 0.000 1.035 108 V CA 0.514 62.797 62.300 -0.028 0.000 1.084 108 V CB 0.625 32.438 31.823 -0.017 0.000 0.953 108 V HN 1.230 nan 8.190 nan 0.000 0.483 109 A N 3.610 126.408 122.820 -0.038 0.000 2.571 109 A HA 0.741 5.061 4.320 -0.000 0.000 0.274 109 A C 0.687 178.260 177.584 -0.019 0.000 1.196 109 A CA 0.428 52.446 52.037 -0.031 0.000 0.957 109 A CB 0.196 19.169 19.000 -0.045 0.000 1.150 109 A HN 1.415 nan 8.150 nan 0.000 0.539 110 G N -1.623 107.169 108.800 -0.013 0.000 2.358 110 G HA2 0.453 4.413 3.960 -0.000 0.000 0.301 110 G HA3 0.453 4.413 3.960 -0.000 0.000 0.301 110 G C -1.162 173.743 174.900 0.008 0.000 1.539 110 G CA -0.121 44.979 45.100 0.001 0.000 0.893 110 G HN 0.302 nan 8.290 nan 0.000 0.636 111 T N 0.083 114.644 114.554 0.011 0.000 2.928 111 T HA 0.631 4.981 4.350 -0.000 0.000 0.296 111 T C -0.607 174.102 174.700 0.015 0.000 1.000 111 T CA -0.495 61.614 62.100 0.014 0.000 0.989 111 T CB 1.874 70.746 68.868 0.007 0.000 1.005 111 T HN 0.843 nan 8.240 nan 0.000 0.442 112 V N 3.094 123.020 119.914 0.019 0.000 2.540 112 V HA 0.533 4.652 4.120 -0.000 0.000 0.302 112 V C 0.001 176.098 176.094 0.005 0.000 1.035 112 V CA -1.110 61.196 62.300 0.010 0.000 0.873 112 V CB 1.883 33.711 31.823 0.008 0.000 0.992 112 V HN 0.688 nan 8.190 nan 0.000 0.428 113 K N 3.670 124.070 120.400 -0.001 0.000 2.339 113 K HA 0.440 4.760 4.320 -0.000 0.000 0.286 113 K C 0.365 176.962 176.600 -0.005 0.000 1.050 113 K CA 0.197 56.483 56.287 -0.002 0.000 0.956 113 K CB 0.701 33.199 32.500 -0.003 0.000 0.990 113 K HN 0.999 nan 8.250 nan 0.000 0.475 114 T N 0.476 115.029 114.554 -0.003 0.000 2.864 114 T HA 0.690 5.039 4.350 -0.000 0.000 0.276 114 T C 0.720 175.419 174.700 -0.002 0.000 1.006 114 T CA -0.616 61.481 62.100 -0.005 0.000 0.970 114 T CB 0.899 69.767 68.868 -0.001 0.000 1.420 114 T HN 0.457 nan 8.240 nan 0.000 0.601 115 G N -0.288 108.513 108.800 0.001 0.000 2.563 115 G HA2 0.462 4.422 3.960 -0.000 0.000 0.283 115 G HA3 0.462 4.422 3.960 -0.000 0.000 0.283 115 G C -0.485 174.418 174.900 0.005 0.000 1.309 115 G CA -0.804 44.298 45.100 0.004 0.000 1.022 115 G HN 0.778 nan 8.290 nan 0.000 0.501 116 K N 0.131 120.535 120.400 0.007 0.000 2.436 116 K HA 0.216 4.535 4.320 -0.000 0.000 0.282 116 K C 0.503 177.106 176.600 0.006 0.000 1.044 116 K CA 0.713 57.004 56.287 0.006 0.000 1.028 116 K CB -0.190 32.314 32.500 0.007 0.000 0.919 116 K HN 0.500 nan 8.250 nan 0.000 0.474 117 S N 4.120 119.822 115.700 0.003 0.000 3.572 117 S HA -0.102 4.368 4.470 -0.000 0.000 0.394 117 S C -2.376 172.227 174.600 0.004 0.000 0.923 117 S CA 0.374 58.574 58.200 0.001 0.000 1.291 117 S CB -1.612 61.586 63.200 -0.004 0.000 0.914 117 S HN 0.704 nan 8.310 nan 0.000 0.545 118 P HA 0.251 nan 4.420 nan 0.000 0.268 118 P C 0.457 177.764 177.300 0.012 0.000 1.204 118 P CA -0.273 62.835 63.100 0.013 0.000 0.768 118 P CB 1.223 32.932 31.700 0.014 0.000 0.842 119 L N 3.522 124.757 121.223 0.019 0.000 2.692 119 L HA 0.498 4.838 4.340 -0.000 0.000 0.175 119 L C 0.926 177.817 176.870 0.036 0.000 1.112 119 L CA 1.151 56.001 54.840 0.016 0.000 0.908 119 L CB -0.496 41.564 42.059 0.002 0.000 1.672 119 L HN 0.446 nan 8.230 nan 0.000 0.500 120 G N 1.087 109.915 108.800 0.048 0.000 2.476 120 G HA2 0.570 4.530 3.960 -0.000 0.000 0.286 120 G HA3 0.570 4.530 3.960 -0.000 0.000 0.286 120 G C -1.309 173.632 174.900 0.068 0.000 1.177 120 G CA 0.027 45.166 45.100 0.066 0.000 0.870 120 G HN 0.604 nan 8.290 nan 0.000 0.528 121 L N -1.386 119.883 121.223 0.077 0.000 2.545 121 L HA 0.905 5.245 4.340 -0.000 0.000 0.258 121 L C -0.811 176.111 176.870 0.087 0.000 0.942 121 L CA -1.214 53.670 54.840 0.074 0.000 0.855 121 L CB 1.924 44.017 42.059 0.058 0.000 1.374 121 L HN 0.920 nan 8.230 nan 0.000 0.411 122 A N 3.289 126.171 122.820 0.104 0.000 2.520 122 A HA 0.799 5.118 4.320 -0.000 0.000 0.298 122 A C -1.382 176.290 177.584 0.147 0.000 1.051 122 A CA -0.547 51.558 52.037 0.114 0.000 0.690 122 A CB 1.874 20.936 19.000 0.103 0.000 1.281 122 A HN 0.759 nan 8.150 nan 0.000 0.402 123 L N 1.945 123.227 121.223 0.099 0.000 2.343 123 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 123 L C 1.085 178.034 176.870 0.131 0.000 1.056 123 L CA -0.604 54.283 54.840 0.079 0.000 0.804 123 L CB 1.973 44.052 42.059 0.033 0.000 1.203 123 L HN 0.924 nan 8.230 nan 0.000 0.440 124 S N 1.389 117.183 115.700 0.158 0.000 2.593 124 S HA 0.207 4.676 4.470 -0.000 0.000 0.269 124 S C -1.937 172.711 174.600 0.080 0.000 1.334 124 S CA -1.034 57.260 58.200 0.157 0.000 1.015 124 S CB 0.807 64.110 63.200 0.172 0.000 0.912 124 S HN 0.428 nan 8.310 nan 0.000 0.541 125 P HA -0.141 nan 4.420 nan 0.000 0.217 125 P C 0.810 178.134 177.300 0.041 0.000 1.148 125 P CA 1.501 64.628 63.100 0.046 0.000 0.828 125 P CB -0.123 31.599 31.700 0.037 0.000 0.783 126 D N -2.161 118.263 120.400 0.039 0.000 2.355 126 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 126 D C 1.487 177.805 176.300 0.030 0.000 1.004 126 D CA 0.797 54.815 54.000 0.031 0.000 0.880 126 D CB -1.028 39.786 40.800 0.024 0.000 0.911 126 D HN 0.216 nan 8.370 nan 0.000 0.528 127 G N 0.680 109.500 108.800 0.033 0.000 2.184 127 G HA2 -0.419 3.540 3.960 -0.000 0.000 0.264 127 G HA3 -0.419 3.540 3.960 -0.000 0.000 0.264 127 G C 1.152 176.051 174.900 -0.002 0.000 0.975 127 G CA 0.626 45.743 45.100 0.030 0.000 0.642 127 G HN 0.452 nan 8.290 nan 0.000 0.536 128 K N -0.156 120.237 120.400 -0.012 0.000 2.365 128 K HA 0.177 4.497 4.320 -0.000 0.000 0.197 128 K C 1.023 177.566 176.600 -0.096 0.000 1.042 128 K CA 0.812 57.077 56.287 -0.037 0.000 0.987 128 K CB 0.115 32.603 32.500 -0.021 0.000 0.779 128 K HN 0.365 nan 8.250 nan 0.000 0.484 129 K N 0.671 120.999 120.400 -0.120 0.000 2.397 129 K HA 0.307 4.627 4.320 -0.000 0.000 0.253 129 K C -1.620 174.779 176.600 -0.335 0.000 0.932 129 K CA -0.948 55.183 56.287 -0.260 0.000 0.795 129 K CB 2.156 34.484 32.500 -0.286 0.000 1.159 129 K HN -0.177 nan 8.250 nan 0.000 0.424 130 L N 3.273 124.217 121.223 -0.464 0.000 2.333 130 L HA 0.437 4.777 4.340 -0.000 0.000 0.280 130 L C -1.688 174.915 176.870 -0.446 0.000 1.004 130 L CA -0.424 54.181 54.840 -0.392 0.000 0.820 130 L CB 0.747 42.523 42.059 -0.471 0.000 1.247 130 L HN 0.445 nan 8.230 nan 0.000 0.416 131 Y N 4.355 124.601 120.300 -0.091 0.000 2.331 131 Y HA 0.646 5.196 4.550 -0.000 0.000 0.338 131 Y C -0.215 175.663 175.900 -0.037 0.000 0.992 131 Y CA -0.810 57.258 58.100 -0.053 0.000 1.121 131 Y CB 1.729 40.169 38.460 -0.034 0.000 1.184 131 Y HN 0.272 nan 8.280 nan 0.000 0.469 132 V N 2.775 122.736 119.914 0.079 0.000 2.487 132 V HA 0.363 4.483 4.120 -0.000 0.000 0.298 132 V C -0.246 175.883 176.094 0.059 0.000 1.028 132 V CA -1.156 61.175 62.300 0.053 0.000 0.860 132 V CB 1.990 33.820 31.823 0.011 0.000 0.991 132 V HN 0.849 nan 8.190 nan 0.000 0.427 133 T N 1.156 115.747 114.554 0.061 0.000 2.794 133 T HA 0.298 4.648 4.350 -0.000 0.000 0.296 133 T C 0.018 174.742 174.700 0.039 0.000 0.949 133 T CA -0.644 61.489 62.100 0.055 0.000 1.101 133 T CB 0.249 69.153 68.868 0.061 0.000 0.905 133 T HN 0.532 nan 8.240 nan 0.000 0.516 134 N N 3.845 122.566 118.700 0.034 0.000 2.949 134 N HA 0.096 4.835 4.740 -0.000 0.000 0.243 134 N C 1.172 176.698 175.510 0.026 0.000 1.113 134 N CA -0.293 52.772 53.050 0.024 0.000 0.980 134 N CB 0.636 39.135 38.487 0.020 0.000 1.256 134 N HN 0.745 nan 8.380 nan 0.000 0.508 135 N N 1.610 120.323 118.700 0.022 0.000 2.184 135 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 135 N C 1.144 176.666 175.510 0.021 0.000 1.011 135 N CA 1.189 54.252 53.050 0.021 0.000 0.867 135 N CB 0.214 38.702 38.487 0.001 0.000 0.993 135 N HN 0.466 nan 8.380 nan 0.000 0.433 136 G N -1.473 107.336 108.800 0.015 0.000 3.233 136 G HA2 0.034 3.994 3.960 -0.000 0.000 0.234 136 G HA3 0.034 3.994 3.960 -0.000 0.000 0.234 136 G C 0.588 175.498 174.900 0.018 0.000 1.137 136 G CA -0.139 44.970 45.100 0.015 0.000 0.763 136 G HN 0.228 nan 8.290 nan 0.000 0.549 137 D N 0.280 120.692 120.400 0.020 0.000 2.474 137 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 137 D C 0.941 177.255 176.300 0.023 0.000 1.120 137 D CA -0.045 53.966 54.000 0.019 0.000 0.836 137 D CB 0.323 41.133 40.800 0.016 0.000 1.019 137 D HN 0.135 nan 8.370 nan 0.000 0.507 138 K N 0.307 120.725 120.400 0.030 0.000 3.209 138 K HA -0.149 4.170 4.320 -0.000 0.000 0.289 138 K C -0.023 176.595 176.600 0.031 0.000 1.191 138 K CA 1.071 57.379 56.287 0.034 0.000 0.851 138 K CB -1.990 30.528 32.500 0.030 0.000 1.242 138 K HN 0.378 nan 8.250 nan 0.000 0.480 139 T N -3.873 110.700 114.554 0.030 0.000 2.865 139 T HA 0.679 5.029 4.350 -0.000 0.000 0.294 139 T C -0.355 174.366 174.700 0.036 0.000 1.119 139 T CA -0.904 61.214 62.100 0.029 0.000 1.007 139 T CB 2.665 71.546 68.868 0.022 0.000 1.225 139 T HN -0.102 nan 8.240 nan 0.000 0.515 140 V N 1.791 121.730 119.914 0.041 0.000 2.487 140 V HA 0.570 4.690 4.120 -0.000 0.000 0.298 140 V C -0.123 175.997 176.094 0.043 0.000 1.028 140 V CA -0.758 61.576 62.300 0.057 0.000 0.860 140 V CB 1.955 33.831 31.823 0.087 0.000 0.991 140 V HN 1.092 nan 8.190 nan 0.000 0.427 141 S N 3.746 119.461 115.700 0.024 0.000 2.475 141 S HA 0.510 4.979 4.470 -0.000 0.000 0.281 141 S C -0.214 174.350 174.600 -0.061 0.000 1.198 141 S CA -0.479 57.713 58.200 -0.014 0.000 1.063 141 S CB 1.455 64.641 63.200 -0.025 0.000 0.972 141 S HN 0.467 nan 8.310 nan 0.000 0.486 142 V N 5.441 125.293 119.914 -0.103 0.000 2.364 142 V HA 0.401 4.520 4.120 -0.000 0.000 0.272 142 V C -0.113 175.837 176.094 -0.240 0.000 1.036 142 V CA -0.369 61.773 62.300 -0.263 0.000 0.880 142 V CB 0.465 32.157 31.823 -0.218 0.000 0.991 142 V HN 0.758 nan 8.190 nan 0.000 0.460 143 I N 4.481 124.869 120.570 -0.303 0.000 2.404 143 I HA 0.361 4.531 4.170 -0.000 0.000 0.293 143 I C 0.162 176.141 176.117 -0.230 0.000 0.992 143 I CA -0.513 60.654 61.300 -0.221 0.000 1.149 143 I CB 1.729 39.614 38.000 -0.192 0.000 1.315 143 I HN 0.511 nan 8.210 nan 0.000 0.446 144 N N 4.277 122.885 118.700 -0.153 0.000 2.401 144 N HA 0.022 4.761 4.740 -0.000 0.000 0.255 144 N C 1.069 176.522 175.510 -0.097 0.000 1.110 144 N CA 0.042 53.020 53.050 -0.119 0.000 0.949 144 N CB 1.216 39.656 38.487 -0.077 0.000 1.110 144 N HN 0.755 nan 8.380 nan 0.000 0.490 145 T N 0.177 114.667 114.554 -0.107 0.000 3.035 145 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 145 T C 1.736 176.447 174.700 0.020 0.000 1.109 145 T CA 0.674 62.745 62.100 -0.048 0.000 1.119 145 T CB -0.035 68.799 68.868 -0.056 0.000 0.900 145 T HN 0.179 nan 8.240 nan 0.000 0.503 146 V N 2.662 122.573 119.914 -0.003 0.000 2.407 146 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 146 V C 3.076 179.171 176.094 0.003 0.000 1.041 146 V CA 1.987 64.291 62.300 0.007 0.000 1.040 146 V CB -0.655 31.167 31.823 -0.002 0.000 0.671 146 V HN 0.804 nan 8.190 nan 0.000 0.455 147 T N -3.466 111.083 114.554 -0.010 0.000 3.081 147 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 147 T C 0.730 175.425 174.700 -0.008 0.000 1.100 147 T CA -0.107 61.987 62.100 -0.010 0.000 1.038 147 T CB -0.241 68.617 68.868 -0.018 0.000 0.962 147 T HN 0.470 nan 8.240 nan 0.000 0.516 148 K N 1.104 121.501 120.400 -0.005 0.000 3.419 148 K HA -0.064 4.255 4.320 -0.000 0.000 0.272 148 K C -0.253 176.338 176.600 -0.014 0.000 0.973 148 K CA 0.324 56.612 56.287 0.002 0.000 0.749 148 K CB -2.129 30.382 32.500 0.019 0.000 1.403 148 K HN 0.749 nan 8.250 nan 0.000 0.456 149 A N -0.231 122.570 122.820 -0.032 0.000 2.594 149 A HA 0.584 4.903 4.320 -0.000 0.000 0.295 149 A C -0.419 177.133 177.584 -0.053 0.000 1.071 149 A CA -0.778 51.239 52.037 -0.034 0.000 0.685 149 A CB 1.650 20.633 19.000 -0.027 0.000 1.285 149 A HN 0.053 nan 8.150 nan 0.000 0.405 150 V N 2.843 122.728 119.914 -0.048 0.000 2.455 150 V HA 0.185 4.305 4.120 -0.000 0.000 0.273 150 V C 1.215 177.278 176.094 -0.052 0.000 1.045 150 V CA 0.551 62.816 62.300 -0.058 0.000 0.976 150 V CB 0.391 32.188 31.823 -0.043 0.000 0.993 150 V HN 0.798 nan 8.190 nan 0.000 0.475 151 I N 0.661 121.191 120.570 -0.066 0.000 3.968 151 I HA 0.445 4.615 4.170 -0.000 0.000 0.328 151 I C 0.595 176.686 176.117 -0.043 0.000 1.290 151 I CA 0.382 61.651 61.300 -0.053 0.000 1.163 151 I CB 0.272 38.236 38.000 -0.060 0.000 1.024 151 I HN 0.579 nan 8.210 nan 0.000 0.413 152 N N 0.327 118.999 118.700 -0.047 0.000 2.935 152 N HA 0.333 5.073 4.740 -0.000 0.000 0.248 152 N C -1.590 173.908 175.510 -0.020 0.000 1.276 152 N CA -0.121 52.913 53.050 -0.028 0.000 0.906 152 N CB 2.614 41.088 38.487 -0.021 0.000 1.564 152 N HN -0.087 nan 8.380 nan 0.000 0.500 153 T N 0.844 115.395 114.554 -0.005 0.000 2.906 153 T HA 0.407 4.757 4.350 -0.000 0.000 0.302 153 T C -0.533 174.175 174.700 0.013 0.000 1.002 153 T CA -0.377 61.725 62.100 0.003 0.000 0.988 153 T CB 1.099 69.968 68.868 0.001 0.000 0.972 153 T HN 0.180 nan 8.240 nan 0.000 0.447 154 V N 2.802 122.732 119.914 0.026 0.000 2.481 154 V HA 0.434 4.554 4.120 -0.000 0.000 0.286 154 V C 0.610 176.718 176.094 0.024 0.000 1.042 154 V CA -0.701 61.616 62.300 0.028 0.000 0.928 154 V CB 1.760 33.608 31.823 0.042 0.000 0.986 154 V HN 0.872 nan 8.190 nan 0.000 0.462 155 S N 3.176 118.886 115.700 0.017 0.000 2.474 155 S HA 0.559 5.029 4.470 -0.000 0.000 0.276 155 S C 0.119 174.730 174.600 0.017 0.000 1.227 155 S CA -0.463 57.747 58.200 0.017 0.000 1.050 155 S CB 0.948 64.156 63.200 0.013 0.000 0.939 155 S HN 0.739 nan 8.310 nan 0.000 0.490 156 V N 2.199 122.126 119.914 0.023 0.000 3.998 156 V HA 0.962 5.082 4.120 -0.000 0.000 0.297 156 V C 0.791 176.902 176.094 0.029 0.000 1.378 156 V CA -0.579 61.735 62.300 0.024 0.000 0.949 156 V CB 0.253 32.094 31.823 0.031 0.000 1.258 156 V HN 0.729 nan 8.190 nan 0.000 0.471 157 G N -0.542 108.280 108.800 0.036 0.000 2.535 157 G HA2 0.514 4.474 3.960 -0.000 0.000 0.282 157 G HA3 0.514 4.474 3.960 -0.000 0.000 0.282 157 G C -0.403 174.527 174.900 0.050 0.000 1.350 157 G CA -1.021 44.103 45.100 0.040 0.000 1.039 157 G HN 0.765 nan 8.290 nan 0.000 0.509 158 R N -0.337 120.196 120.500 0.055 0.000 2.389 158 R HA 0.373 4.713 4.340 -0.000 0.000 0.295 158 R C 0.345 176.705 176.300 0.100 0.000 1.075 158 R CA 0.381 56.521 56.100 0.066 0.000 1.005 158 R CB 0.837 31.174 30.300 0.061 0.000 0.987 158 R HN 0.541 nan 8.270 nan 0.000 0.452 159 S N 1.897 117.655 115.700 0.096 0.000 3.797 159 S HA -0.064 4.405 4.470 -0.000 0.000 0.374 159 S C -2.257 172.424 174.600 0.134 0.000 0.970 159 S CA -0.231 58.040 58.200 0.118 0.000 1.177 159 S CB -0.659 62.656 63.200 0.192 0.000 0.891 159 S HN 0.569 nan 8.310 nan 0.000 0.491 160 P HA 0.205 nan 4.420 nan 0.000 0.271 160 P C 0.360 177.711 177.300 0.086 0.000 1.216 160 P CA -0.070 63.089 63.100 0.097 0.000 0.771 160 P CB 1.002 32.746 31.700 0.072 0.000 0.864 161 K N 2.023 122.486 120.400 0.105 0.000 3.248 161 K HA 0.263 4.583 4.320 -0.000 0.000 0.255 161 K C 1.165 177.820 176.600 0.093 0.000 1.395 161 K CA -0.286 56.050 56.287 0.082 0.000 1.139 161 K CB -0.484 32.065 32.500 0.082 0.000 2.091 161 K HN 0.470 nan 8.250 nan 0.000 0.408 162 G N 2.031 110.901 108.800 0.115 0.000 2.491 162 G HA2 0.338 4.298 3.960 -0.000 0.000 0.238 162 G HA3 0.338 4.298 3.960 -0.000 0.000 0.238 162 G C -0.666 174.299 174.900 0.108 0.000 1.277 162 G CA 0.000 45.169 45.100 0.115 0.000 0.851 162 G HN 0.352 nan 8.290 nan 0.000 0.573 163 I N 0.609 121.240 120.570 0.102 0.000 2.775 163 I HA 0.679 4.848 4.170 -0.000 0.000 0.295 163 I C -0.728 175.442 176.117 0.089 0.000 1.287 163 I CA -0.847 60.509 61.300 0.093 0.000 1.029 163 I CB 2.064 40.114 38.000 0.083 0.000 1.282 163 I HN 0.833 nan 8.210 nan 0.000 0.426 164 A N 5.840 128.712 122.820 0.087 0.000 2.589 164 A HA 0.742 5.062 4.320 -0.000 0.000 0.296 164 A C -1.959 175.662 177.584 0.061 0.000 1.062 164 A CA -0.493 51.592 52.037 0.080 0.000 0.686 164 A CB 1.749 20.804 19.000 0.092 0.000 1.282 164 A HN 0.405 nan 8.150 nan 0.000 0.404 165 V N 1.594 121.523 119.914 0.025 0.000 2.547 165 V HA 0.617 4.737 4.120 -0.000 0.000 0.299 165 V C 0.802 176.922 176.094 0.044 0.000 1.040 165 V CA -0.103 62.185 62.300 -0.021 0.000 0.913 165 V CB 1.852 33.639 31.823 -0.060 0.000 0.992 165 V HN 1.125 nan 8.190 nan 0.000 0.449 166 T N 2.511 117.097 114.554 0.054 0.000 2.919 166 T HA 0.189 4.539 4.350 -0.000 0.000 0.302 166 T C -1.359 173.363 174.700 0.037 0.000 1.031 166 T CA -1.296 60.847 62.100 0.072 0.000 1.127 166 T CB 1.036 69.960 68.868 0.093 0.000 0.952 166 T HN 0.583 nan 8.240 nan 0.000 0.540 167 P HA -0.131 nan 4.420 nan 0.000 0.221 167 P C 0.814 178.129 177.300 0.025 0.000 1.145 167 P CA 1.177 64.294 63.100 0.029 0.000 0.795 167 P CB -0.036 31.680 31.700 0.028 0.000 0.775 168 D N -1.219 119.195 120.400 0.023 0.000 2.349 168 D HA 0.061 4.700 4.640 -0.000 0.000 0.224 168 D C 1.492 177.800 176.300 0.013 0.000 1.029 168 D CA 0.543 54.553 54.000 0.017 0.000 0.879 168 D CB -1.158 39.652 40.800 0.016 0.000 0.906 168 D HN 0.228 nan 8.370 nan 0.000 0.528 169 G N 0.171 108.978 108.800 0.011 0.000 2.175 169 G HA2 -0.392 3.567 3.960 -0.000 0.000 0.265 169 G HA3 -0.392 3.567 3.960 -0.000 0.000 0.265 169 G C 1.163 176.055 174.900 -0.014 0.000 0.979 169 G CA 1.353 46.457 45.100 0.006 0.000 0.663 169 G HN 0.631 nan 8.290 nan 0.000 0.533 170 T N -2.928 111.612 114.554 -0.023 0.000 2.937 170 T HA 0.354 4.704 4.350 -0.000 0.000 0.260 170 T C 0.983 175.627 174.700 -0.094 0.000 1.051 170 T CA 1.421 63.496 62.100 -0.041 0.000 1.141 170 T CB 0.384 69.237 68.868 -0.026 0.000 0.879 170 T HN 0.521 nan 8.240 nan 0.000 0.459 171 K N 0.375 120.702 120.400 -0.123 0.000 2.435 171 K HA 0.707 5.027 4.320 -0.000 0.000 0.251 171 K C -1.804 174.609 176.600 -0.311 0.000 0.954 171 K CA -0.980 55.157 56.287 -0.250 0.000 0.820 171 K CB 3.151 35.451 32.500 -0.333 0.000 1.292 171 K HN -0.082 nan 8.250 nan 0.000 0.436 172 V N 2.496 122.147 119.914 -0.437 0.000 2.444 172 V HA 0.323 4.443 4.120 -0.000 0.000 0.294 172 V C -1.344 174.522 176.094 -0.381 0.000 1.022 172 V CA -0.917 61.145 62.300 -0.397 0.000 0.850 172 V CB 0.705 32.181 31.823 -0.577 0.000 0.992 172 V HN 0.598 nan 8.190 nan 0.000 0.426 173 Y N 3.189 123.430 120.300 -0.098 0.000 2.320 173 Y HA 0.633 5.183 4.550 -0.000 0.000 0.334 173 Y C 0.159 176.044 175.900 -0.025 0.000 1.055 173 Y CA -0.595 57.475 58.100 -0.050 0.000 1.143 173 Y CB 1.886 40.327 38.460 -0.032 0.000 1.193 173 Y HN 0.383 nan 8.280 nan 0.000 0.477 174 V N 3.133 123.113 119.914 0.110 0.000 2.540 174 V HA 0.669 4.788 4.120 -0.000 0.000 0.302 174 V C -0.352 175.806 176.094 0.107 0.000 1.035 174 V CA -1.150 61.203 62.300 0.089 0.000 0.873 174 V CB 1.652 33.505 31.823 0.050 0.000 0.992 174 V HN 0.856 nan 8.190 nan 0.000 0.428 175 A N 3.779 126.668 122.820 0.115 0.000 2.316 175 A HA 0.512 4.832 4.320 -0.000 0.000 0.311 175 A C 0.099 177.761 177.584 0.131 0.000 1.339 175 A CA -0.441 51.669 52.037 0.121 0.000 0.960 175 A CB -0.443 18.641 19.000 0.141 0.000 1.152 175 A HN 0.929 nan 8.150 nan 0.000 0.547 176 N N 2.572 121.335 118.700 0.105 0.000 2.602 176 N HA 0.211 4.951 4.740 -0.000 0.000 0.238 176 N C 0.315 175.899 175.510 0.124 0.000 1.084 176 N CA -0.353 52.763 53.050 0.110 0.000 0.952 176 N CB 0.263 38.792 38.487 0.070 0.000 1.244 176 N HN 0.696 nan 8.380 nan 0.000 0.512 177 F N 1.859 121.828 119.950 0.032 0.000 2.115 177 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 177 F C 1.425 177.236 175.800 0.020 0.000 1.092 177 F CA 1.711 59.727 58.000 0.026 0.000 1.245 177 F CB 0.325 39.341 39.000 0.028 0.000 0.995 177 F HN 0.435 nan 8.300 nan 0.000 0.481 178 D N -0.665 119.835 120.400 0.167 0.000 2.339 178 D HA 0.104 4.744 4.640 -0.000 0.000 0.217 178 D C 0.597 176.904 176.300 0.013 0.000 1.050 178 D CA 0.322 54.366 54.000 0.074 0.000 0.856 178 D CB 0.312 41.192 40.800 0.132 0.000 0.922 178 D HN 0.121 nan 8.370 nan 0.000 0.518 182 I N 1.867 122.470 120.570 0.055 0.000 2.439 182 I HA 0.401 4.570 4.170 -0.000 0.000 0.285 182 I C -0.266 175.894 176.117 0.073 0.000 1.021 182 I CA -0.528 60.823 61.300 0.085 0.000 1.091 182 I CB 2.122 40.196 38.000 0.123 0.000 1.242 182 I HN 0.650 nan 8.210 nan 0.000 0.439 183 S N 4.880 120.609 115.700 0.050 0.000 2.565 183 S HA 0.406 4.876 4.470 -0.000 0.000 0.274 183 S C -0.060 174.511 174.600 -0.048 0.000 1.309 183 S CA -0.574 57.629 58.200 0.006 0.000 1.043 183 S CB 1.597 64.798 63.200 0.002 0.000 0.939 183 S HN 0.339 nan 8.310 nan 0.000 0.504 184 V N 4.724 124.571 119.914 -0.110 0.000 2.304 184 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 184 V C -0.170 175.784 176.094 -0.232 0.000 1.018 184 V CA -0.433 61.697 62.300 -0.283 0.000 0.814 184 V CB 0.404 32.062 31.823 -0.275 0.000 1.021 184 V HN 0.757 nan 8.190 nan 0.000 0.440 185 I N 3.543 123.961 120.570 -0.254 0.000 2.371 185 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 185 I C 0.216 176.216 176.117 -0.196 0.000 1.028 185 I CA -0.158 61.035 61.300 -0.178 0.000 1.345 185 I CB 1.172 39.083 38.000 -0.147 0.000 1.407 185 I HN 0.562 nan 8.210 nan 0.000 0.501 186 D N 4.294 124.620 120.400 -0.123 0.000 2.317 186 D HA 0.041 4.681 4.640 -0.000 0.000 0.252 186 D C 1.335 177.597 176.300 -0.063 0.000 1.174 186 D CA -0.314 53.627 54.000 -0.099 0.000 0.866 186 D CB 1.271 42.033 40.800 -0.064 0.000 1.127 186 D HN 0.670 nan 8.370 nan 0.000 0.467 187 T N 0.443 114.959 114.554 -0.063 0.000 3.007 187 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 187 T C 1.835 176.554 174.700 0.032 0.000 1.107 187 T CA 0.698 62.803 62.100 0.008 0.000 1.118 187 T CB -0.257 68.621 68.868 0.017 0.000 0.889 187 T HN 0.233 nan 8.240 nan 0.000 0.506 188 V N 2.705 122.622 119.914 0.005 0.000 2.427 188 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 188 V C 2.872 178.972 176.094 0.010 0.000 1.051 188 V CA 2.063 64.368 62.300 0.008 0.000 1.048 188 V CB -0.768 31.054 31.823 -0.002 0.000 0.666 188 V HN 0.867 nan 8.190 nan 0.000 0.456 189 T N -4.624 109.933 114.554 0.005 0.000 3.040 189 T HA 0.197 4.546 4.350 -0.000 0.000 0.266 189 T C 0.530 175.237 174.700 0.013 0.000 1.005 189 T CA 0.268 62.371 62.100 0.006 0.000 0.906 189 T CB -0.551 68.316 68.868 -0.003 0.000 1.082 189 T HN 0.491 nan 8.240 nan 0.000 0.531 190 N N 1.672 120.389 118.700 0.028 0.000 2.727 190 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 190 N C -0.666 174.858 175.510 0.023 0.000 1.048 190 N CA 0.543 53.622 53.050 0.048 0.000 0.714 190 N CB -1.009 37.511 38.487 0.055 0.000 0.959 190 N HN 0.787 nan 8.380 nan 0.000 0.544 191 S N -2.213 113.488 115.700 0.001 0.000 2.569 191 S HA 0.616 5.085 4.470 -0.000 0.000 0.280 191 S C -0.126 174.459 174.600 -0.026 0.000 1.111 191 S CA -1.029 57.166 58.200 -0.008 0.000 0.887 191 S CB 2.281 65.477 63.200 -0.007 0.000 1.095 191 S HN -0.009 nan 8.310 nan 0.000 0.476 192 V N 2.806 122.706 119.914 -0.024 0.000 2.446 192 V HA 0.148 4.268 4.120 -0.000 0.000 0.276 192 V C 1.154 177.227 176.094 -0.037 0.000 1.030 192 V CA -0.070 62.208 62.300 -0.037 0.000 1.033 192 V CB -0.170 31.639 31.823 -0.023 0.000 0.993 192 V HN 0.900 nan 8.190 nan 0.000 0.477 193 I N 0.113 120.651 120.570 -0.053 0.000 3.968 193 I HA 0.528 4.698 4.170 -0.000 0.000 0.328 193 I C 0.287 176.382 176.117 -0.037 0.000 1.290 193 I CA 0.328 61.602 61.300 -0.043 0.000 1.163 193 I CB 0.595 38.564 38.000 -0.051 0.000 1.024 193 I HN 0.557 nan 8.210 nan 0.000 0.413 194 D N 0.097 120.472 120.400 -0.042 0.000 2.706 194 D HA 0.391 5.031 4.640 -0.000 0.000 0.225 194 D C -1.354 174.937 176.300 -0.014 0.000 1.241 194 D CA -0.089 53.897 54.000 -0.023 0.000 0.784 194 D CB 2.399 43.187 40.800 -0.021 0.000 1.521 194 D HN -0.039 nan 8.370 nan 0.000 0.461 195 T N 1.649 116.205 114.554 0.003 0.000 2.906 195 T HA 0.405 4.755 4.350 -0.000 0.000 0.302 195 T C -0.627 174.088 174.700 0.024 0.000 1.002 195 T CA -0.474 61.635 62.100 0.014 0.000 0.988 195 T CB 1.118 69.993 68.868 0.010 0.000 0.972 195 T HN 0.178 nan 8.240 nan 0.000 0.447 196 V N 3.937 123.875 119.914 0.040 0.000 2.461 196 V HA 0.391 4.511 4.120 -0.000 0.000 0.275 196 V C 0.413 176.526 176.094 0.031 0.000 1.047 196 V CA -0.753 61.571 62.300 0.040 0.000 0.955 196 V CB 1.084 32.942 31.823 0.059 0.000 0.988 196 V HN 0.588 nan 8.190 nan 0.000 0.471 197 K N 5.136 125.549 120.400 0.021 0.000 2.276 197 K HA 0.509 4.829 4.320 -0.000 0.000 0.285 197 K C -0.496 176.116 176.600 0.019 0.000 1.062 197 K CA -0.275 56.023 56.287 0.018 0.000 0.918 197 K CB 1.052 33.560 32.500 0.013 0.000 1.055 197 K HN 0.606 nan 8.250 nan 0.000 0.477 198 V N 0.677 120.603 119.914 0.021 0.000 3.177 198 V HA 0.477 4.597 4.120 -0.000 0.000 0.319 198 V C 0.520 176.641 176.094 0.046 0.000 1.125 198 V CA -0.335 61.984 62.300 0.031 0.000 1.029 198 V CB 1.791 33.631 31.823 0.028 0.000 1.119 198 V HN 0.868 nan 8.190 nan 0.000 0.452 199 E N 0.778 121.032 120.200 0.090 0.000 2.385 199 E HA 0.386 4.736 4.350 -0.000 0.000 0.194 199 E C 0.732 177.468 176.600 0.227 0.000 1.013 199 E CA 0.936 57.434 56.400 0.163 0.000 0.866 199 E CB 0.661 30.476 29.700 0.191 0.000 0.832 199 E HN 0.903 nan 8.360 nan 0.000 0.500 200 A N 1.021 123.900 122.820 0.098 0.000 3.434 200 A HA 0.768 5.088 4.320 -0.000 0.000 0.247 200 A C -1.127 176.345 177.584 -0.187 0.000 1.075 200 A CA -0.319 51.666 52.037 -0.087 0.000 0.737 200 A CB 0.511 19.340 19.000 -0.285 0.000 1.412 200 A HN 0.065 nan 8.150 nan 0.000 0.691 201 A N 1.927 124.539 122.820 -0.347 0.000 2.366 201 A HA 0.641 4.961 4.320 -0.000 0.000 0.322 201 A C -2.592 174.766 177.584 -0.376 0.000 1.397 201 A CA -1.585 50.094 52.037 -0.598 0.000 0.984 201 A CB -0.405 17.822 19.000 -1.289 0.000 1.149 201 A HN 0.406 nan 8.150 nan 0.000 0.540 202 P HA 0.075 nan 4.420 nan 0.000 0.271 202 P C 0.372 177.800 177.300 0.213 0.000 1.226 202 P CA 0.325 63.444 63.100 0.031 0.000 0.765 202 P CB 1.907 33.631 31.700 0.041 0.000 0.835 203 S N 2.514 118.368 115.700 0.256 0.000 3.066 203 S HA 0.341 4.811 4.470 -0.000 0.000 0.235 203 S C 0.852 175.572 174.600 0.201 0.000 0.995 203 S CA 0.568 58.964 58.200 0.326 0.000 0.835 203 S CB -0.473 62.926 63.200 0.333 0.000 0.814 203 S HN 0.559 nan 8.310 nan 0.000 0.594 204 G N 0.906 109.809 108.800 0.170 0.000 2.441 204 G HA2 0.712 4.672 3.960 -0.000 0.000 0.334 204 G HA3 0.712 4.672 3.960 -0.000 0.000 0.334 204 G C -1.276 173.703 174.900 0.132 0.000 1.161 204 G CA -0.638 44.553 45.100 0.152 0.000 0.935 204 G HN 0.474 nan 8.290 nan 0.000 0.488 205 I N -0.007 120.636 120.570 0.121 0.000 2.722 205 I HA 0.639 4.809 4.170 -0.000 0.000 0.295 205 I C -0.341 175.831 176.117 0.092 0.000 1.161 205 I CA -1.010 60.348 61.300 0.096 0.000 1.032 205 I CB 2.562 40.611 38.000 0.082 0.000 1.244 205 I HN 0.673 nan 8.210 nan 0.000 0.421 206 A N 4.847 127.722 122.820 0.092 0.000 2.437 206 A HA 0.765 5.084 4.320 -0.000 0.000 0.293 206 A C -1.350 176.296 177.584 0.104 0.000 1.038 206 A CA -0.487 51.602 52.037 0.087 0.000 0.708 206 A CB 1.629 20.676 19.000 0.077 0.000 1.251 206 A HN 0.357 nan 8.150 nan 0.000 0.409 207 V N 3.418 123.366 119.914 0.057 0.000 2.472 207 V HA 0.331 4.451 4.120 -0.000 0.000 0.290 207 V C 0.215 176.354 176.094 0.074 0.000 1.037 207 V CA -0.899 61.422 62.300 0.034 0.000 0.908 207 V CB 1.552 33.382 31.823 0.012 0.000 0.985 207 V HN 1.036 nan 8.190 nan 0.000 0.454 208 N N 5.570 124.333 118.700 0.104 0.000 2.444 208 N HA 0.198 4.938 4.740 -0.000 0.000 0.255 208 N C -2.088 173.451 175.510 0.050 0.000 1.255 208 N CA -1.926 51.185 53.050 0.102 0.000 0.933 208 N CB 0.004 38.582 38.487 0.152 0.000 1.143 208 N HN 0.191 nan 8.380 nan 0.000 0.453 209 P HA -0.151 nan 4.420 nan 0.000 0.217 209 P C 0.800 178.114 177.300 0.025 0.000 1.148 209 P CA 1.394 64.509 63.100 0.024 0.000 0.834 209 P CB 0.243 31.953 31.700 0.017 0.000 0.783 210 E N -1.819 118.397 120.200 0.027 0.000 2.285 210 E HA 0.029 4.378 4.350 -0.000 0.000 0.194 210 E C 1.617 178.229 176.600 0.020 0.000 0.997 210 E CA 1.086 57.499 56.400 0.022 0.000 0.845 210 E CB -0.601 29.112 29.700 0.021 0.000 0.782 210 E HN 0.235 nan 8.360 nan 0.000 0.491 211 G N 1.263 110.076 108.800 0.021 0.000 2.143 211 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.249 211 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.249 211 G C 1.099 176.002 174.900 0.005 0.000 0.981 211 G CA 1.074 46.186 45.100 0.019 0.000 0.665 211 G HN 0.398 nan 8.290 nan 0.000 0.528 212 T N -2.905 111.645 114.554 -0.006 0.000 3.051 212 T HA 0.439 4.789 4.350 -0.000 0.000 0.255 212 T C 0.830 175.487 174.700 -0.072 0.000 1.085 212 T CA 1.134 63.221 62.100 -0.023 0.000 1.109 212 T CB 0.610 69.471 68.868 -0.012 0.000 0.921 212 T HN 0.494 nan 8.240 nan 0.000 0.488 213 K N 0.495 120.835 120.400 -0.100 0.000 2.426 213 K HA 0.775 5.095 4.320 -0.000 0.000 0.251 213 K C -1.526 174.880 176.600 -0.323 0.000 0.941 213 K CA -0.930 55.212 56.287 -0.242 0.000 0.808 213 K CB 2.583 34.918 32.500 -0.274 0.000 1.265 213 K HN 0.184 nan 8.250 nan 0.000 0.432 214 A N 2.028 124.545 122.820 -0.506 0.000 2.371 214 A HA 0.685 5.005 4.320 -0.000 0.000 0.311 214 A C -1.750 175.488 177.584 -0.575 0.000 1.068 214 A CA -0.596 51.167 52.037 -0.456 0.000 0.744 214 A CB 0.579 19.223 19.000 -0.594 0.000 1.239 214 A HN 0.630 nan 8.150 nan 0.000 0.435 215 Y N 0.865 121.108 120.300 -0.095 0.000 2.364 215 Y HA 0.557 5.107 4.550 -0.000 0.000 0.340 215 Y C -0.040 175.845 175.900 -0.025 0.000 0.975 215 Y CA -0.666 57.407 58.100 -0.045 0.000 1.089 215 Y CB 2.275 40.725 38.460 -0.015 0.000 1.192 215 Y HN 0.418 nan 8.280 nan 0.000 0.454 216 V N 2.145 122.125 119.914 0.109 0.000 2.656 216 V HA 0.442 4.562 4.120 -0.000 0.000 0.307 216 V C -0.335 175.822 176.094 0.105 0.000 1.051 216 V CA -1.114 61.239 62.300 0.089 0.000 0.893 216 V CB 2.182 34.030 31.823 0.042 0.000 0.999 216 V HN 0.836 nan 8.190 nan 0.000 0.426 217 T N 1.141 115.762 114.554 0.110 0.000 2.771 217 T HA 0.452 4.802 4.350 -0.000 0.000 0.291 217 T C -0.341 174.406 174.700 0.080 0.000 0.954 217 T CA -0.722 61.438 62.100 0.099 0.000 1.045 217 T CB 0.358 69.292 68.868 0.111 0.000 0.917 217 T HN 0.592 nan 8.240 nan 0.000 0.484 218 N N 3.020 121.747 118.700 0.045 0.000 2.443 218 N HA 0.396 5.135 4.740 -0.000 0.000 0.269 218 N C -1.074 174.384 175.510 -0.087 0.000 0.985 218 N CA -0.531 52.512 53.050 -0.012 0.000 0.921 218 N CB 2.236 40.733 38.487 0.016 0.000 1.195 218 N HN 0.442 nan 8.380 nan 0.000 0.492 219 V N 1.994 121.836 119.914 -0.119 0.000 2.427 219 V HA 0.400 4.520 4.120 -0.000 0.000 0.286 219 V C 0.143 176.050 176.094 -0.313 0.000 1.034 219 V CA -0.332 61.879 62.300 -0.149 0.000 0.893 219 V CB 1.653 33.509 31.823 0.054 0.000 0.982 219 V HN 0.665 nan 8.190 nan 0.000 0.452 220 D N 2.780 122.939 120.400 -0.401 0.000 2.599 220 D HA 0.232 4.872 4.640 -0.000 0.000 0.252 220 D C 0.384 176.441 176.300 -0.407 0.000 1.232 220 D CA -0.625 53.084 54.000 -0.486 0.000 0.819 220 D CB 2.670 42.900 40.800 -0.951 0.000 1.401 220 D HN 0.392 nan 8.370 nan 0.000 0.429 221 K N 0.806 120.957 120.400 -0.415 0.000 2.103 221 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 221 K C 1.125 177.335 176.600 -0.649 0.000 1.052 221 K CA 1.358 57.295 56.287 -0.583 0.000 0.945 221 K CB 0.037 32.055 32.500 -0.804 0.000 0.722 221 K HN 0.408 nan 8.250 nan 0.000 0.443 222 Y N -0.984 119.279 120.300 -0.062 0.000 2.509 222 Y HA 0.158 4.708 4.550 -0.000 0.000 0.270 222 Y C 0.152 176.133 175.900 0.134 0.000 1.103 222 Y CA -0.623 57.504 58.100 0.045 0.000 1.278 222 Y CB 0.497 39.026 38.460 0.116 0.000 1.087 222 Y HN 0.006 nan 8.280 nan 0.000 0.542 223 F N -1.199 118.787 119.950 0.062 0.000 2.596 223 F HA 0.618 5.144 4.527 -0.000 0.000 0.311 223 F C -1.564 174.232 175.800 -0.007 0.000 1.116 223 F CA -1.527 56.490 58.000 0.028 0.000 0.957 223 F CB 1.226 40.253 39.000 0.045 0.000 1.250 223 F HN -0.303 nan 8.300 nan 0.000 0.444 224 N N 1.837 120.548 118.700 0.019 0.000 2.238 224 N HA 0.652 5.391 4.740 -0.000 0.000 0.302 224 N C -1.268 174.298 175.510 0.093 0.000 1.072 224 N CA -0.434 52.576 53.050 -0.068 0.000 0.792 224 N CB 2.590 41.029 38.487 -0.080 0.000 1.425 224 N HN 0.976 nan 8.380 nan 0.000 0.478 225 T N -2.741 111.868 114.554 0.091 0.000 2.816 225 T HA 0.525 4.875 4.350 -0.000 0.000 0.299 225 T C -1.156 173.598 174.700 0.090 0.000 1.230 225 T CA -0.608 61.565 62.100 0.122 0.000 1.007 225 T CB 1.195 70.177 68.868 0.189 0.000 1.289 225 T HN 0.028 nan 8.240 nan 0.000 0.508 226 V N 3.115 123.085 119.914 0.093 0.000 2.326 226 V HA 0.556 4.676 4.120 -0.000 0.000 0.281 226 V C 0.746 176.910 176.094 0.117 0.000 1.015 226 V CA -0.518 61.846 62.300 0.107 0.000 0.823 226 V CB 0.694 32.580 31.823 0.105 0.000 1.009 226 V HN 1.205 nan 8.190 nan 0.000 0.436 230 D N 2.945 123.258 120.400 -0.146 0.000 2.316 230 D HA 0.229 4.868 4.640 -0.000 0.000 0.245 230 D C 1.359 177.616 176.300 -0.071 0.000 1.171 230 D CA -0.016 53.919 54.000 -0.107 0.000 0.856 230 D CB 1.352 42.114 40.800 -0.063 0.000 1.090 230 D HN 0.676 nan 8.370 nan 0.000 0.476 231 T N 0.439 114.950 114.554 -0.072 0.000 2.929 231 T HA -0.071 4.279 4.350 -0.000 0.000 0.271 231 T C 1.871 176.609 174.700 0.063 0.000 1.085 231 T CA 0.818 62.933 62.100 0.024 0.000 1.125 231 T CB -0.303 68.583 68.868 0.030 0.000 0.874 231 T HN 0.394 nan 8.240 nan 0.000 0.494 232 G N 1.438 110.250 108.800 0.020 0.000 2.430 232 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.216 232 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.216 232 G C 1.691 176.603 174.900 0.020 0.000 1.146 232 G CA 1.195 46.306 45.100 0.019 0.000 0.793 232 G HN 0.688 nan 8.290 nan 0.000 0.537 233 T N -3.087 111.475 114.554 0.014 0.000 3.010 233 T HA 0.135 4.485 4.350 -0.000 0.000 0.257 233 T C 0.868 175.583 174.700 0.025 0.000 1.020 233 T CA 0.221 62.329 62.100 0.013 0.000 0.938 233 T CB 0.097 68.964 68.868 -0.000 0.000 1.049 233 T HN 0.117 nan 8.240 nan 0.000 0.522 234 N N 2.005 120.732 118.700 0.045 0.000 2.727 234 N HA -0.104 4.636 4.740 -0.000 0.000 0.251 234 N C -1.138 174.390 175.510 0.030 0.000 1.040 234 N CA 0.784 53.880 53.050 0.076 0.000 0.712 234 N CB -0.649 37.899 38.487 0.102 0.000 0.912 234 N HN 0.519 nan 8.380 nan 0.000 0.545 235 K N 0.392 120.788 120.400 -0.006 0.000 2.371 235 K HA 0.487 4.807 4.320 -0.000 0.000 0.251 235 K C 0.528 177.102 176.600 -0.044 0.000 0.934 235 K CA -0.628 55.648 56.287 -0.018 0.000 0.798 235 K CB 1.770 34.260 32.500 -0.017 0.000 1.204 235 K HN 0.102 nan 8.250 nan 0.000 0.427 236 I N 2.664 123.214 120.570 -0.034 0.000 2.347 236 I HA 0.009 4.179 4.170 -0.000 0.000 0.294 236 I C 1.258 177.352 176.117 -0.038 0.000 1.090 236 I CA 0.067 61.342 61.300 -0.043 0.000 1.314 236 I CB 0.310 38.296 38.000 -0.023 0.000 1.423 236 I HN 0.649 nan 8.210 nan 0.000 0.503 237 T N 1.760 116.283 114.554 -0.052 0.000 3.069 237 T HA 0.557 4.907 4.350 -0.000 0.000 0.252 237 T C 0.382 175.065 174.700 -0.027 0.000 1.053 237 T CA -0.188 61.889 62.100 -0.039 0.000 0.964 237 T CB 0.401 69.241 68.868 -0.048 0.000 1.005 237 T HN 0.631 nan 8.240 nan 0.000 0.532 238 A N 1.003 123.808 122.820 -0.024 0.000 2.594 238 A HA 0.732 5.051 4.320 -0.000 0.000 0.296 238 A C -1.413 176.180 177.584 0.014 0.000 1.056 238 A CA -1.190 50.846 52.037 -0.001 0.000 0.693 238 A CB 1.216 20.223 19.000 0.012 0.000 1.278 238 A HN 0.265 nan 8.150 nan 0.000 0.408 239 R N 1.118 121.631 120.500 0.022 0.000 2.502 239 R HA 0.590 4.929 4.340 -0.000 0.000 0.300 239 R C -1.433 174.894 176.300 0.045 0.000 0.984 239 R CA -0.411 55.713 56.100 0.040 0.000 0.882 239 R CB 1.839 32.157 30.300 0.030 0.000 1.180 239 R HN 0.639 nan 8.270 nan 0.000 0.444 240 I N 4.106 124.714 120.570 0.063 0.000 2.355 240 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 240 I C -2.250 173.903 176.117 0.061 0.000 0.999 240 I CA -2.592 58.740 61.300 0.054 0.000 1.163 240 I CB 1.956 39.988 38.000 0.054 0.000 1.316 240 I HN 0.200 nan 8.210 nan 0.000 0.454 241 P HA 0.100 nan 4.420 nan 0.000 0.271 241 P C -0.622 176.705 177.300 0.045 0.000 1.220 241 P CA -0.064 63.076 63.100 0.066 0.000 0.768 241 P CB 0.794 32.526 31.700 0.053 0.000 0.848 242 V N 0.763 120.705 119.914 0.046 0.000 3.158 242 V HA 0.891 5.010 4.120 -0.000 0.000 0.311 242 V C 0.377 176.478 176.094 0.011 0.000 1.181 242 V CA -0.999 61.314 62.300 0.021 0.000 1.054 242 V CB 1.234 33.068 31.823 0.018 0.000 1.085 242 V HN 0.595 nan 8.190 nan 0.000 0.446 243 G N 0.659 109.460 108.800 0.001 0.000 2.699 243 G HA2 0.481 4.440 3.960 -0.000 0.000 0.246 243 G HA3 0.481 4.440 3.960 -0.000 0.000 0.246 243 G C -2.544 172.339 174.900 -0.028 0.000 1.219 243 G CA -0.845 44.252 45.100 -0.005 0.000 0.866 243 G HN 0.779 nan 8.290 nan 0.000 0.572 244 P HA 0.162 nan 4.420 nan 0.000 0.269 244 P C -0.377 176.878 177.300 -0.075 0.000 1.209 244 P CA 0.096 63.108 63.100 -0.146 0.000 0.776 244 P CB 0.329 31.817 31.700 -0.354 0.000 0.876 245 D N -0.459 119.885 120.400 -0.092 0.000 2.697 245 D HA -0.129 4.511 4.640 -0.000 0.000 0.238 245 D C -2.140 174.149 176.300 -0.018 0.000 1.152 245 D CA 0.329 54.311 54.000 -0.030 0.000 0.666 245 D CB -1.264 39.542 40.800 0.010 0.000 1.037 245 D HN 0.345 nan 8.370 nan 0.000 0.423 246 P HA 0.223 nan 4.420 nan 0.000 0.268 246 P C -0.070 177.257 177.300 0.045 0.000 1.204 246 P CA 0.016 63.125 63.100 0.014 0.000 0.768 246 P CB 1.736 33.454 31.700 0.030 0.000 0.842 247 A N 3.724 126.568 122.820 0.040 0.000 2.039 247 A HA 0.616 4.935 4.320 -0.000 0.000 0.205 247 A C 0.972 178.641 177.584 0.142 0.000 2.297 247 A CA 0.525 52.619 52.037 0.095 0.000 1.472 247 A CB -0.608 18.429 19.000 0.062 0.000 1.030 247 A HN 0.533 nan 8.150 nan 0.000 0.511 248 G N -0.134 108.757 108.800 0.152 0.000 2.483 248 G HA2 0.470 4.430 3.960 -0.000 0.000 0.248 248 G HA3 0.470 4.430 3.960 -0.000 0.000 0.248 248 G C -0.589 174.494 174.900 0.306 0.000 1.248 248 G CA 0.146 45.390 45.100 0.240 0.000 0.838 248 G HN 0.744 nan 8.290 nan 0.000 0.566 249 I N 0.523 121.308 120.570 0.359 0.000 2.802 249 I HA 0.733 4.903 4.170 -0.000 0.000 0.298 249 I C -0.663 175.537 176.117 0.138 0.000 1.176 249 I CA -0.932 60.546 61.300 0.296 0.000 1.025 249 I CB 2.194 40.301 38.000 0.178 0.000 1.243 249 I HN 0.799 nan 8.210 nan 0.000 0.424 250 A N 5.467 128.276 122.820 -0.018 0.000 2.589 250 A HA 0.711 5.030 4.320 -0.000 0.000 0.296 250 A C -1.955 175.513 177.584 -0.194 0.000 1.062 250 A CA -0.484 51.359 52.037 -0.323 0.000 0.686 250 A CB 1.675 19.991 19.000 -1.140 0.000 1.282 250 A HN 0.393 nan 8.150 nan 0.000 0.404 251 V N 1.888 121.698 119.914 -0.173 0.000 2.472 251 V HA 0.580 4.700 4.120 -0.000 0.000 0.290 251 V C 0.954 176.975 176.094 -0.120 0.000 1.037 251 V CA 0.032 62.256 62.300 -0.126 0.000 0.908 251 V CB 1.688 33.474 31.823 -0.063 0.000 0.985 251 V HN 1.164 nan 8.190 nan 0.000 0.454 252 T N 2.697 117.201 114.554 -0.083 0.000 2.900 252 T HA 0.144 4.494 4.350 -0.000 0.000 0.307 252 T C -1.748 172.920 174.700 -0.054 0.000 1.065 252 T CA -1.106 60.943 62.100 -0.085 0.000 1.105 252 T CB 0.723 69.562 68.868 -0.049 0.000 0.979 252 T HN 0.470 nan 8.240 nan 0.000 0.544 253 P HA -0.126 nan 4.420 nan 0.000 0.217 253 P C 1.058 178.352 177.300 -0.010 0.000 1.148 253 P CA 1.251 64.338 63.100 -0.022 0.000 0.828 253 P CB -0.063 31.629 31.700 -0.014 0.000 0.783 254 D N -2.189 118.204 120.400 -0.012 0.000 2.340 254 D HA 0.064 4.704 4.640 -0.000 0.000 0.220 254 D C 1.443 177.745 176.300 0.004 0.000 1.039 254 D CA 0.721 54.719 54.000 -0.004 0.000 0.866 254 D CB -1.132 39.664 40.800 -0.007 0.000 0.913 254 D HN 0.192 nan 8.370 nan 0.000 0.523 255 G N 0.766 109.567 108.800 0.002 0.000 2.168 255 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.263 255 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.263 255 G C 0.997 175.903 174.900 0.011 0.000 0.977 255 G CA 0.662 45.771 45.100 0.015 0.000 0.659 255 G HN 0.485 nan 8.290 nan 0.000 0.533 256 K N -0.537 119.863 120.400 0.001 0.000 2.379 256 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 256 K C 0.879 177.472 176.600 -0.012 0.000 1.031 256 K CA 0.587 56.874 56.287 -0.000 0.000 1.037 256 K CB 0.334 32.835 32.500 0.002 0.000 0.824 256 K HN 0.336 nan 8.250 nan 0.000 0.516 257 K N 0.832 121.227 120.400 -0.009 0.000 2.464 257 K HA 0.406 4.726 4.320 -0.000 0.000 0.253 257 K C -1.388 175.207 176.600 -0.009 0.000 0.933 257 K CA -0.714 55.579 56.287 0.009 0.000 0.801 257 K CB 3.135 35.714 32.500 0.131 0.000 1.271 257 K HN -0.269 nan 8.250 nan 0.000 0.430 258 V N 2.890 122.758 119.914 -0.076 0.000 2.487 258 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 258 V C -1.377 174.741 176.094 0.040 0.000 1.028 258 V CA -0.836 61.393 62.300 -0.120 0.000 0.860 258 V CB 1.006 32.560 31.823 -0.449 0.000 0.991 258 V HN 0.589 nan 8.190 nan 0.000 0.427 259 Y N 3.327 123.610 120.300 -0.027 0.000 2.331 259 Y HA 0.642 5.192 4.550 -0.000 0.000 0.338 259 Y C 0.046 176.044 175.900 0.164 0.000 0.992 259 Y CA -0.807 57.354 58.100 0.101 0.000 1.121 259 Y CB 2.044 40.657 38.460 0.256 0.000 1.184 259 Y HN 0.355 nan 8.280 nan 0.000 0.469 260 V N 3.651 123.659 119.914 0.156 0.000 2.444 260 V HA 0.679 4.799 4.120 -0.000 0.000 0.294 260 V C -0.151 175.983 176.094 0.068 0.000 1.022 260 V CA -1.215 61.160 62.300 0.125 0.000 0.850 260 V CB 1.388 33.243 31.823 0.054 0.000 0.992 260 V HN 0.879 nan 8.190 nan 0.000 0.426 261 A N 6.223 129.077 122.820 0.057 0.000 2.366 261 A HA 0.771 5.091 4.320 -0.000 0.000 0.272 261 A C -0.438 177.113 177.584 -0.055 0.000 1.135 261 A CA -0.253 51.763 52.037 -0.034 0.000 0.804 261 A CB 0.170 19.115 19.000 -0.091 0.000 1.064 261 A HN 0.838 nan 8.150 nan 0.000 0.499 262 L N 3.693 124.874 121.223 -0.071 0.000 2.313 262 L HA 0.188 4.528 4.340 -0.000 0.000 0.273 262 L C 1.409 178.213 176.870 -0.109 0.000 1.028 262 L CA -0.347 54.454 54.840 -0.064 0.000 0.871 262 L CB 1.327 43.374 42.059 -0.020 0.000 1.242 262 L HN 0.972 nan 8.230 nan 0.000 0.434 263 S N 2.265 117.830 115.700 -0.224 0.000 2.383 263 S HA -0.151 4.318 4.470 -0.000 0.000 0.229 263 S C 0.815 175.334 174.600 -0.135 0.000 1.030 263 S CA 0.577 58.578 58.200 -0.332 0.000 1.002 263 S CB -0.242 62.458 63.200 -0.833 0.000 0.829 263 S HN 0.419 nan 8.310 nan 0.000 0.467 267 T N -3.067 111.453 114.554 -0.057 0.000 2.841 267 T HA 0.741 5.090 4.350 -0.000 0.000 0.296 267 T C -0.866 173.804 174.700 -0.051 0.000 1.166 267 T CA -0.677 61.394 62.100 -0.049 0.000 1.007 267 T CB 2.590 71.435 68.868 -0.037 0.000 1.253 267 T HN -0.190 nan 8.240 nan 0.000 0.511 268 V N 1.187 121.073 119.914 -0.047 0.000 2.638 268 V HA 0.653 4.773 4.120 -0.000 0.000 0.306 268 V C -0.360 175.679 176.094 -0.092 0.000 1.052 268 V CA -0.661 61.614 62.300 -0.042 0.000 0.885 268 V CB 2.147 33.978 31.823 0.013 0.000 0.999 268 V HN 1.092 nan 8.190 nan 0.000 0.424 269 S N 3.203 118.838 115.700 -0.109 0.000 2.451 269 S HA 0.640 5.109 4.470 -0.000 0.000 0.301 269 S C -0.404 174.022 174.600 -0.290 0.000 1.116 269 S CA -0.447 57.659 58.200 -0.157 0.000 1.093 269 S CB 1.703 64.848 63.200 -0.091 0.000 1.017 269 S HN 0.464 nan 8.310 nan 0.000 0.482 270 V N 5.139 124.827 119.914 -0.375 0.000 2.394 270 V HA 0.458 4.578 4.120 -0.000 0.000 0.282 270 V C -0.211 175.724 176.094 -0.264 0.000 1.031 270 V CA -0.454 61.533 62.300 -0.522 0.000 0.881 270 V CB 1.063 32.532 31.823 -0.590 0.000 0.982 270 V HN 0.747 nan 8.190 nan 0.000 0.451 271 I N 3.777 124.218 120.570 -0.214 0.000 2.404 271 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 271 I C 0.016 176.068 176.117 -0.109 0.000 0.992 271 I CA -0.395 60.827 61.300 -0.132 0.000 1.149 271 I CB 1.692 39.624 38.000 -0.114 0.000 1.315 271 I HN 0.568 nan 8.210 nan 0.000 0.446 272 D N 5.079 125.437 120.400 -0.069 0.000 2.336 272 D HA 0.014 4.654 4.640 -0.000 0.000 0.249 272 D C 1.313 177.600 176.300 -0.022 0.000 1.213 272 D CA -0.049 53.925 54.000 -0.043 0.000 0.870 272 D CB 1.347 42.129 40.800 -0.030 0.000 1.076 272 D HN 0.724 nan 8.370 nan 0.000 0.483 273 T N 1.324 115.866 114.554 -0.021 0.000 2.977 273 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 273 T C 1.667 176.398 174.700 0.052 0.000 1.105 273 T CA 0.951 63.070 62.100 0.032 0.000 1.116 273 T CB 0.099 68.993 68.868 0.044 0.000 0.878 273 T HN 0.327 nan 8.240 nan 0.000 0.509 274 A N 2.066 124.901 122.820 0.025 0.000 1.898 274 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 274 A C 2.612 180.208 177.584 0.020 0.000 1.183 274 A CA 1.603 53.653 52.037 0.022 0.000 0.622 274 A CB -0.866 18.141 19.000 0.011 0.000 0.824 274 A HN 0.683 nan 8.150 nan 0.000 0.444 275 T N -4.583 109.978 114.554 0.013 0.000 3.040 275 T HA 0.113 4.462 4.350 -0.000 0.000 0.250 275 T C 0.439 175.148 174.700 0.015 0.000 1.058 275 T CA 0.364 62.470 62.100 0.010 0.000 0.988 275 T CB -0.234 68.634 68.868 0.000 0.000 0.993 275 T HN 0.346 nan 8.240 nan 0.000 0.519 276 N N 2.578 121.293 118.700 0.025 0.000 2.725 276 N HA -0.127 4.612 4.740 -0.000 0.000 0.251 276 N C -0.227 175.294 175.510 0.018 0.000 1.031 276 N CA 1.540 54.612 53.050 0.037 0.000 0.720 276 N CB -1.616 36.902 38.487 0.050 0.000 0.930 276 N HN 0.944 nan 8.380 nan 0.000 0.543 277 T N -3.063 111.491 114.554 -0.000 0.000 2.901 277 T HA 0.726 5.076 4.350 -0.000 0.000 0.293 277 T C 0.377 175.059 174.700 -0.029 0.000 1.084 277 T CA -0.894 61.201 62.100 -0.010 0.000 1.008 277 T CB 2.040 70.902 68.868 -0.011 0.000 1.170 277 T HN 0.119 nan 8.240 nan 0.000 0.509 278 I N 2.565 123.116 120.570 -0.033 0.000 2.352 278 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 278 I C 1.551 177.634 176.117 -0.057 0.000 1.036 278 I CA -0.535 60.732 61.300 -0.054 0.000 1.336 278 I CB 1.463 39.434 38.000 -0.047 0.000 1.407 278 I HN 1.022 nan 8.210 nan 0.000 0.497 279 T N 1.837 116.345 114.554 -0.076 0.000 3.022 279 T HA 0.546 4.896 4.350 -0.000 0.000 0.250 279 T C 0.381 175.036 174.700 -0.075 0.000 1.060 279 T CA -0.051 62.009 62.100 -0.067 0.000 1.013 279 T CB 0.459 69.289 68.868 -0.064 0.000 0.982 279 T HN 0.682 nan 8.240 nan 0.000 0.508 280 A N -0.096 122.664 122.820 -0.100 0.000 2.599 280 A HA 0.681 5.000 4.320 -0.000 0.000 0.294 280 A C -0.702 176.811 177.584 -0.118 0.000 1.055 280 A CA -0.726 51.252 52.037 -0.099 0.000 0.683 280 A CB 1.143 20.081 19.000 -0.103 0.000 1.278 280 A HN 0.160 nan 8.150 nan 0.000 0.412 284 V N 0.085 119.971 119.914 -0.047 0.000 5.502 284 V HA 1.038 5.157 4.120 -0.000 0.000 0.283 284 V C 1.068 177.131 176.094 -0.050 0.000 1.523 284 V CA -0.115 62.155 62.300 -0.049 0.000 0.749 284 V CB 0.036 31.826 31.823 -0.054 0.000 1.393 284 V HN 1.851 nan 8.190 nan 0.000 0.425 285 G N -0.477 108.293 108.800 -0.051 0.000 2.553 285 G HA2 0.398 4.358 3.960 -0.000 0.000 0.278 285 G HA3 0.398 4.358 3.960 -0.000 0.000 0.278 285 G C -0.553 174.315 174.900 -0.052 0.000 1.349 285 G CA -0.522 44.550 45.100 -0.046 0.000 1.037 285 G HN 0.832 nan 8.290 nan 0.000 0.508 286 K N 0.066 120.439 120.400 -0.046 0.000 2.253 286 K HA 0.181 4.501 4.320 -0.000 0.000 0.277 286 K C 0.332 176.906 176.600 -0.043 0.000 1.053 286 K CA -0.212 56.043 56.287 -0.054 0.000 0.892 286 K CB -0.169 32.303 32.500 -0.047 0.000 1.102 286 K HN 0.724 nan 8.250 nan 0.000 0.469 287 N N 3.135 121.792 118.700 -0.072 0.000 2.771 287 N HA -0.103 4.637 4.740 -0.000 0.000 0.249 287 N C -2.623 172.843 175.510 -0.074 0.000 1.069 287 N CA -0.399 52.604 53.050 -0.077 0.000 0.688 287 N CB -0.117 38.394 38.487 0.041 0.000 0.928 287 N HN 0.408 nan 8.380 nan 0.000 0.551 288 P HA -0.014 nan 4.420 nan 0.000 0.271 288 P C -0.503 176.671 177.300 -0.210 0.000 1.220 288 P CA 0.410 63.450 63.100 -0.100 0.000 0.768 288 P CB 0.361 31.988 31.700 -0.120 0.000 0.848 289 Y N 2.553 122.820 120.300 -0.054 0.000 2.607 289 Y HA 0.319 4.869 4.550 -0.000 0.000 0.276 289 Y C 1.874 177.754 175.900 -0.033 0.000 1.117 289 Y CA 0.820 58.903 58.100 -0.028 0.000 1.273 289 Y CB -0.538 37.908 38.460 -0.022 0.000 1.282 289 Y HN 0.442 nan 8.280 nan 0.000 0.514 290 A N 1.288 124.147 122.820 0.065 0.000 2.364 290 A HA -0.213 4.107 4.320 -0.000 0.000 0.288 290 A C 0.611 178.249 177.584 0.090 0.000 1.433 290 A CA 0.933 52.916 52.037 -0.089 0.000 0.757 290 A CB -1.783 16.938 19.000 -0.466 0.000 1.098 290 A HN 0.234 nan 8.150 nan 0.000 0.380 291 S N -0.605 115.213 115.700 0.197 0.000 2.610 291 S HA 0.730 5.199 4.470 -0.000 0.000 0.273 291 S C 0.766 175.556 174.600 0.316 0.000 1.274 291 S CA 1.190 59.550 58.200 0.267 0.000 1.023 291 S CB 1.048 64.360 63.200 0.187 0.000 0.962 291 S HN 2.590 nan 8.310 nan 0.000 0.523 292 G N 2.564 111.543 108.800 0.298 0.000 2.525 292 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.685 292 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.685 292 G C -1.173 173.812 174.900 0.141 0.000 1.290 292 G CA -0.858 44.371 45.100 0.215 0.000 0.915 292 G HN 0.701 nan 8.290 nan 0.000 0.548 293 Q N 0.741 120.565 119.800 0.041 0.000 2.664 293 Q HA 0.361 4.700 4.340 -0.000 0.000 0.223 293 Q C 0.789 176.768 176.000 -0.035 0.000 1.298 293 Q CA -0.022 55.717 55.803 -0.107 0.000 0.965 293 Q CB -0.322 28.395 28.738 -0.035 0.000 1.510 293 Q HN 0.613 nan 8.270 nan 0.000 0.567 294 F N -0.677 119.328 119.950 0.092 0.000 2.660 294 F HA 0.384 4.911 4.527 -0.001 0.000 0.302 294 F C 0.070 175.967 175.800 0.161 0.000 1.103 294 F CA -0.516 57.563 58.000 0.132 0.000 1.340 294 F CB 0.100 39.183 39.000 0.138 0.000 1.048 294 F HN 0.073 nan 8.300 nan 0.000 0.551 295 I N 0.740 121.270 120.570 -0.067 0.000 2.530 295 I HA 0.833 5.002 4.170 -0.000 0.000 0.297 295 I C 0.294 176.432 176.117 0.035 0.000 1.011 295 I CA -0.952 60.345 61.300 -0.005 0.000 1.107 295 I CB 1.840 39.699 38.000 -0.234 0.000 1.285 295 I HN 0.198 nan 8.210 nan 0.000 0.436 296 G N 2.142 111.009 108.800 0.112 0.000 2.489 296 G HA2 0.340 4.300 3.960 -0.000 0.000 0.291 296 G HA3 0.340 4.300 3.960 -0.000 0.000 0.291 296 G C -1.696 173.291 174.900 0.144 0.000 1.487 296 G CA -0.521 44.641 45.100 0.103 0.000 0.795 296 G HN 0.512 nan 8.290 nan 0.000 0.513 297 S N -0.708 115.054 115.700 0.104 0.000 2.565 297 S HA 0.666 5.136 4.470 -0.000 0.000 0.274 297 S C 0.362 175.052 174.600 0.150 0.000 1.309 297 S CA -0.617 57.654 58.200 0.117 0.000 1.043 297 S CB 0.023 63.264 63.200 0.068 0.000 0.939 297 S HN 1.071 nan 8.310 nan 0.000 0.504 298 I N 2.455 123.142 120.570 0.196 0.000 2.530 298 I HA 0.549 4.719 4.170 -0.000 0.000 0.297 298 I C -2.050 174.128 176.117 0.102 0.000 1.011 298 I CA -2.624 58.766 61.300 0.151 0.000 1.107 298 I CB 1.837 39.942 38.000 0.175 0.000 1.285 298 I HN 0.381 nan 8.210 nan 0.000 0.436 299 P HA -0.063 nan 4.420 nan 0.000 0.214 299 P C 0.282 177.600 177.300 0.030 0.000 1.162 299 P CA 1.011 64.133 63.100 0.037 0.000 0.879 299 P CB 0.039 31.751 31.700 0.019 0.000 0.786 300 V N 0.742 120.663 119.914 0.011 0.000 2.407 300 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 300 V C -0.056 176.015 176.094 -0.039 0.000 1.018 300 V CA -0.806 61.486 62.300 -0.013 0.000 0.842 300 V CB 1.508 33.310 31.823 -0.034 0.000 0.996 300 V HN 0.017 nan 8.190 nan 0.000 0.426 301 Q N 6.065 125.847 119.800 -0.031 0.000 2.274 301 Q HA 0.406 4.745 4.340 -0.000 0.000 0.256 301 Q C -2.365 173.509 176.000 -0.210 0.000 0.927 301 Q CA -1.747 54.002 55.803 -0.090 0.000 0.939 301 Q CB 1.886 30.660 28.738 0.060 0.000 1.201 301 Q HN 0.498 nan 8.270 nan 0.000 0.426 302 P HA -0.034 nan 4.420 nan 0.000 0.269 302 P C -0.915 176.041 177.300 -0.573 0.000 1.215 302 P CA -0.153 62.642 63.100 -0.508 0.000 0.780 302 P CB 0.463 31.748 31.700 -0.692 0.000 0.898 303 V N 3.324 123.011 119.914 -0.379 0.000 2.370 303 V HA 0.081 4.200 4.120 -0.000 0.000 0.257 303 V C 0.183 176.135 176.094 -0.236 0.000 1.064 303 V CA 0.004 62.162 62.300 -0.236 0.000 0.975 303 V CB -1.726 30.023 31.823 -0.123 0.000 1.067 303 V HN 0.379 nan 8.190 nan 0.000 0.485 304 Y N 6.561 126.842 120.300 -0.032 0.000 2.316 304 Y HA 0.411 4.961 4.550 -0.000 0.000 0.324 304 Y C -1.601 174.272 175.900 -0.045 0.000 1.267 304 Y CA -2.404 55.671 58.100 -0.041 0.000 1.311 304 Y CB 1.311 39.760 38.460 -0.018 0.000 1.267 304 Y HN 0.408 nan 8.280 nan 0.000 0.516 305 P HA 0.066 nan 4.420 nan 0.000 0.282 305 P C -1.006 176.303 177.300 0.016 0.000 1.249 305 P CA -0.461 62.646 63.100 0.012 0.000 0.806 305 P CB 1.735 33.392 31.700 -0.072 0.000 0.984 306 S N 1.328 117.034 115.700 0.009 0.000 2.594 306 S HA 0.573 5.042 4.470 -0.000 0.000 0.322 306 S C -0.165 174.438 174.600 0.005 0.000 1.085 306 S CA -0.612 57.595 58.200 0.011 0.000 1.116 306 S CB -0.252 62.966 63.200 0.030 0.000 0.979 306 S HN 0.571 nan 8.310 nan 0.000 0.465 307 A N 4.012 126.822 122.820 -0.016 0.000 2.454 307 A HA 0.581 4.901 4.320 -0.000 0.000 0.260 307 A C -0.066 177.538 177.584 0.033 0.000 1.106 307 A CA -0.032 52.002 52.037 -0.004 0.000 0.780 307 A CB 0.136 19.109 19.000 -0.045 0.000 1.044 307 A HN 0.819 nan 8.150 nan 0.000 0.498 308 D N 0.599 121.059 120.400 0.101 0.000 2.706 308 D HA 0.605 5.244 4.640 -0.000 0.000 0.227 308 D C -1.020 175.429 176.300 0.249 0.000 1.233 308 D CA -0.172 53.875 54.000 0.080 0.000 0.768 308 D CB 0.989 41.814 40.800 0.041 0.000 1.490 308 D HN 0.693 nan 8.370 nan 0.000 0.458 309 F N -0.190 119.835 119.950 0.125 0.000 2.773 309 F HA 0.708 5.235 4.527 -0.000 0.000 0.314 309 F C -1.846 174.102 175.800 0.246 0.000 1.160 309 F CA -1.072 57.072 58.000 0.241 0.000 0.920 309 F CB 0.923 40.157 39.000 0.389 0.000 1.323 309 F HN 0.354 nan 8.300 nan 0.000 0.457 310 K N 0.659 121.381 120.400 0.538 0.000 2.508 310 K HA 0.830 5.150 4.320 -0.000 0.000 0.260 310 K C -1.489 175.381 176.600 0.451 0.000 0.949 310 K CA -0.537 55.957 56.287 0.344 0.000 0.834 310 K CB 2.312 34.911 32.500 0.165 0.000 1.365 310 K HN 1.025 nan 8.250 nan 0.000 0.437 311 S N -0.248 115.620 115.700 0.280 0.000 2.759 311 S HA 0.273 4.743 4.470 -0.000 0.000 0.310 311 S C 0.416 174.992 174.600 -0.041 0.000 1.123 311 S CA -0.675 57.560 58.200 0.058 0.000 0.959 311 S CB 0.966 64.159 63.200 -0.011 0.000 1.172 311 S HN 0.840 nan 8.310 nan 0.000 0.539 312 N N 0.012 118.624 118.700 -0.147 0.000 2.412 312 N HA 0.038 4.778 4.740 -0.000 0.000 0.184 312 N C 0.167 175.602 175.510 -0.126 0.000 1.101 312 N CA -0.001 52.977 53.050 -0.120 0.000 0.881 312 N CB -0.627 37.776 38.487 -0.141 0.000 0.969 312 N HN 0.693 nan 8.380 nan 0.000 0.459 313 I N 2.017 122.508 120.570 -0.132 0.000 2.662 313 I HA -0.067 4.103 4.170 -0.000 0.000 0.285 313 I C 1.045 177.074 176.117 -0.146 0.000 1.161 313 I CA 0.339 61.546 61.300 -0.154 0.000 1.415 313 I CB 0.703 38.641 38.000 -0.105 0.000 1.385 313 I HN 0.203 nan 8.210 nan 0.000 0.552 314 T N -1.185 113.244 114.554 -0.207 0.000 2.975 314 T HA 0.106 4.456 4.350 -0.000 0.000 0.261 314 T C 1.169 175.732 174.700 -0.228 0.000 0.984 314 T CA -0.096 61.900 62.100 -0.173 0.000 0.911 314 T CB 0.335 69.122 68.868 -0.136 0.000 1.127 314 T HN 0.478 nan 8.240 nan 0.000 0.514 315 S N 0.590 116.044 115.700 -0.410 0.000 2.502 315 S HA 0.524 4.994 4.470 -0.000 0.000 0.215 315 S C 1.853 176.234 174.600 -0.366 0.000 1.009 315 S CA 0.266 58.156 58.200 -0.517 0.000 0.908 315 S CB 0.337 62.824 63.200 -1.188 0.000 0.801 315 S HN 0.918 nan 8.310 nan 0.000 0.505 316 G N 0.993 109.617 108.800 -0.293 0.000 2.218 316 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.216 316 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.216 316 G C -0.089 174.798 174.900 -0.021 0.000 0.994 316 G CA 0.162 45.210 45.100 -0.088 0.000 0.637 316 G HN 0.643 nan 8.290 nan 0.000 0.505 317 Y N -1.227 119.019 120.300 -0.090 0.000 2.705 317 Y HA 0.886 5.436 4.550 -0.000 0.000 0.332 317 Y C -0.592 175.180 175.900 -0.212 0.000 1.157 317 Y CA -2.333 55.697 58.100 -0.117 0.000 1.091 317 Y CB 1.262 39.657 38.460 -0.110 0.000 1.301 317 Y HN 0.466 nan 8.280 nan 0.000 0.488 318 I N 0.973 121.573 120.570 0.050 0.000 2.787 318 I HA 0.405 4.574 4.170 -0.000 0.000 0.294 318 I C -1.599 174.521 176.117 0.004 0.000 1.365 318 I CA -0.743 60.471 61.300 -0.144 0.000 1.029 318 I CB 1.701 39.642 38.000 -0.098 0.000 1.313 318 I HN 0.663 nan 8.210 nan 0.000 0.431 319 F N 5.817 125.871 119.950 0.173 0.000 2.410 319 F HA 0.283 4.810 4.527 -0.000 0.000 0.334 319 F C 0.315 176.170 175.800 0.092 0.000 1.134 319 F CA -0.698 57.376 58.000 0.123 0.000 1.227 319 F CB 0.618 39.678 39.000 0.101 0.000 1.194 319 F HN 0.272 nan 8.300 nan 0.000 0.571 320 L N 2.124 123.525 121.223 0.298 0.000 2.514 320 L HA 0.020 4.359 4.340 -0.000 0.000 0.280 320 L C 0.832 177.793 176.870 0.152 0.000 1.223 320 L CA 0.648 55.603 54.840 0.193 0.000 0.864 320 L CB 0.348 42.494 42.059 0.145 0.000 1.118 320 L HN 0.766 nan 8.230 nan 0.000 0.494 321 S N 1.088 116.855 115.700 0.112 0.000 3.476 321 S HA -0.231 4.238 4.470 -0.000 0.000 0.309 321 S C 0.181 174.817 174.600 0.060 0.000 1.222 321 S CA 1.230 59.465 58.200 0.058 0.000 0.922 321 S CB -1.543 61.680 63.200 0.038 0.000 1.023 321 S HN 0.818 nan 8.310 nan 0.000 0.591 322 E N 1.819 122.074 120.200 0.093 0.000 2.092 322 E HA 0.333 4.683 4.350 -0.000 0.000 0.271 322 E C -2.550 174.061 176.600 0.018 0.000 0.919 322 E CA -2.507 53.937 56.400 0.074 0.000 0.760 322 E CB 0.883 30.658 29.700 0.126 0.000 1.106 322 E HN 0.038 nan 8.360 nan 0.000 0.408 323 P HA -0.049 nan 4.420 nan 0.000 0.264 323 P C -0.763 176.475 177.300 -0.103 0.000 1.193 323 P CA -0.015 63.041 63.100 -0.074 0.000 0.763 323 P CB 0.602 32.253 31.700 -0.082 0.000 0.810 324 V N 4.481 124.311 119.914 -0.139 0.000 2.333 324 V HA 0.181 4.301 4.120 -0.000 0.000 0.274 324 V C 0.410 176.231 176.094 -0.455 0.000 1.028 324 V CA -0.263 61.861 62.300 -0.293 0.000 0.851 324 V CB 0.803 32.486 31.823 -0.234 0.000 1.000 324 V HN 0.445 nan 8.190 nan 0.000 0.456 325 Q N 5.002 124.546 119.800 -0.427 0.000 2.360 325 Q HA 0.469 4.809 4.340 -0.000 0.000 0.254 325 Q C -1.323 174.442 176.000 -0.392 0.000 0.975 325 Q CA -0.013 55.595 55.803 -0.325 0.000 0.912 325 Q CB 0.732 29.368 28.738 -0.170 0.000 1.212 325 Q HN 0.553 nan 8.270 nan 0.000 0.452 326 F N 2.112 121.982 119.950 -0.134 0.000 2.415 326 F HA 0.433 4.960 4.527 -0.000 0.000 0.348 326 F C 0.303 176.074 175.800 -0.048 0.000 1.119 326 F CA -0.607 57.321 58.000 -0.120 0.000 1.069 326 F CB 1.921 40.560 39.000 -0.601 0.000 1.124 326 F HN 0.286 nan 8.300 nan 0.000 0.472 327 T N 2.321 117.064 114.554 0.316 0.000 2.772 327 T HA 0.118 4.468 4.350 -0.000 0.000 0.288 327 T C -0.806 174.134 174.700 0.399 0.000 0.994 327 T CA -0.686 61.570 62.100 0.259 0.000 0.951 327 T CB 0.783 69.753 68.868 0.169 0.000 0.933 327 T HN 0.427 nan 8.240 nan 0.000 0.447 328 D N 2.800 123.432 120.400 0.386 0.000 2.417 328 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 328 D C 0.414 176.903 176.300 0.316 0.000 1.166 328 D CA -0.049 54.211 54.000 0.434 0.000 0.881 328 D CB 0.530 41.568 40.800 0.397 0.000 1.164 328 D HN 0.434 nan 8.370 nan 0.000 0.467 329 L N 2.333 123.742 121.223 0.309 0.000 3.014 329 L HA 0.214 4.553 4.340 -0.000 0.000 0.263 329 L C 0.677 177.658 176.870 0.186 0.000 1.207 329 L CA -0.413 54.554 54.840 0.211 0.000 1.017 329 L CB 0.188 42.350 42.059 0.170 0.000 1.360 329 L HN 0.219 nan 8.230 nan 0.000 0.560 330 S N 0.832 116.671 115.700 0.232 0.000 2.572 330 S HA 0.113 4.583 4.470 -0.000 0.000 0.267 330 S C 0.184 174.867 174.600 0.137 0.000 1.361 330 S CA 0.307 58.610 58.200 0.171 0.000 1.009 330 S CB 0.943 64.254 63.200 0.185 0.000 0.888 330 S HN 0.194 nan 8.310 nan 0.000 0.553 331 K N 0.724 121.171 120.400 0.078 0.000 2.345 331 K HA 0.191 4.511 4.320 -0.000 0.000 0.255 331 K C -1.038 175.578 176.600 0.028 0.000 0.934 331 K CA -0.516 55.809 56.287 0.062 0.000 0.801 331 K CB 0.828 33.359 32.500 0.052 0.000 1.137 331 K HN 0.579 nan 8.250 nan 0.000 0.424 332 D N 0.769 121.185 120.400 0.027 0.000 2.751 332 D HA -0.206 4.434 4.640 -0.000 0.000 0.233 332 D C -0.822 175.437 176.300 -0.069 0.000 1.149 332 D CA 1.138 55.133 54.000 -0.007 0.000 0.682 332 D CB -0.926 39.870 40.800 -0.007 0.000 1.068 332 D HN 0.567 nan 8.370 nan 0.000 0.429 333 A N -0.138 122.616 122.820 -0.111 0.000 2.312 333 A HA 0.713 5.033 4.320 -0.000 0.000 0.328 333 A C 1.229 178.529 177.584 -0.472 0.000 1.158 333 A CA 0.302 52.128 52.037 -0.351 0.000 0.821 333 A CB 1.268 19.956 19.000 -0.520 0.000 1.170 333 A HN 0.202 nan 8.150 nan 0.000 0.490 334 T N -2.206 111.962 114.554 -0.643 0.000 3.041 334 T HA 0.353 4.703 4.350 -0.000 0.000 0.276 334 T C -0.050 174.239 174.700 -0.686 0.000 0.948 334 T CA 0.467 62.271 62.100 -0.493 0.000 0.885 334 T CB -0.206 68.550 68.868 -0.186 0.000 1.175 334 T HN 0.798 nan 8.240 nan 0.000 0.529 335 E N 0.247 119.847 120.200 -1.000 0.000 2.290 335 E HA 0.492 4.842 4.350 -0.000 0.000 0.274 335 E C -1.786 174.425 176.600 -0.649 0.000 0.889 335 E CA -0.792 55.285 56.400 -0.539 0.000 0.760 335 E CB 1.246 30.802 29.700 -0.240 0.000 1.206 335 E HN 0.380 nan 8.360 nan 0.000 0.419 336 W N 3.561 124.843 121.300 -0.029 0.000 2.761 336 W HA 0.540 5.199 4.660 -0.000 0.000 0.340 336 W C -0.560 175.904 176.519 -0.091 0.000 1.072 336 W CA -1.102 56.193 57.345 -0.083 0.000 1.215 336 W CB 2.335 31.799 29.460 0.007 0.000 1.420 336 W HN 0.581 nan 8.180 nan 0.000 0.519 337 K N 2.484 122.874 120.400 -0.018 0.000 2.740 337 K HA 0.233 4.553 4.320 -0.000 0.000 0.246 337 K C -1.585 174.870 176.600 -0.242 0.000 1.021 337 K CA -0.349 55.900 56.287 -0.063 0.000 1.021 337 K CB 0.788 33.239 32.500 -0.082 0.000 1.233 337 K HN 0.336 nan 8.250 nan 0.000 0.497 338 W N 2.436 123.564 121.300 -0.287 0.000 2.315 338 W HA 0.246 4.906 4.660 -0.000 0.000 0.316 338 W C 0.060 176.153 176.519 -0.711 0.000 1.211 338 W CA 0.060 57.048 57.345 -0.595 0.000 1.201 338 W CB 1.060 30.004 29.460 -0.860 0.000 1.184 338 W HN 0.484 nan 8.180 nan 0.000 0.544 339 D N 2.378 122.490 120.400 -0.479 0.000 2.505 339 D HA 0.248 4.888 4.640 -0.000 0.000 0.250 339 D C -0.262 175.791 176.300 -0.412 0.000 1.164 339 D CA -0.590 53.181 54.000 -0.382 0.000 0.870 339 D CB 0.499 41.187 40.800 -0.185 0.000 1.160 339 D HN 0.243 nan 8.370 nan 0.000 0.549 340 F N 2.205 122.072 119.950 -0.138 0.000 2.811 340 F HA 0.222 4.748 4.527 -0.000 0.000 0.301 340 F C 2.220 178.025 175.800 0.009 0.000 1.151 340 F CA 0.305 58.178 58.000 -0.211 0.000 1.412 340 F CB 0.413 38.967 39.000 -0.744 0.000 1.113 340 F HN 0.662 nan 8.300 nan 0.000 0.579 341 G N 0.999 109.899 108.800 0.167 0.000 2.162 341 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 341 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 341 G C 0.353 175.455 174.900 0.336 0.000 0.976 341 G CA 0.630 45.884 45.100 0.256 0.000 0.655 341 G HN 0.505 nan 8.290 nan 0.000 0.533 342 D N -1.277 119.250 120.400 0.213 0.000 2.599 342 D HA 0.435 5.075 4.640 -0.000 0.000 0.249 342 D C 1.554 177.937 176.300 0.140 0.000 1.313 342 D CA 0.441 54.559 54.000 0.196 0.000 0.815 342 D CB -0.322 40.488 40.800 0.018 0.000 1.077 342 D HN 1.459 nan 8.370 nan 0.000 0.492 343 G N 0.460 109.331 108.800 0.119 0.000 2.241 343 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 343 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 343 G C 0.454 175.403 174.900 0.082 0.000 0.998 343 G CA 0.387 45.540 45.100 0.089 0.000 0.621 343 G HN 0.914 nan 8.290 nan 0.000 0.519 344 S N -0.202 115.565 115.700 0.112 0.000 2.713 344 S HA 0.908 5.377 4.470 -0.000 0.000 0.283 344 S C 0.151 174.842 174.600 0.151 0.000 1.161 344 S CA 0.818 59.111 58.200 0.155 0.000 0.999 344 S CB 2.453 65.793 63.200 0.234 0.000 1.039 344 S HN 1.996 nan 8.310 nan 0.000 0.548 345 S N -0.164 115.626 115.700 0.151 0.000 2.790 345 S HA 0.844 5.313 4.470 -0.000 0.000 0.292 345 S C -0.726 173.935 174.600 0.101 0.000 1.197 345 S CA -0.545 57.641 58.200 -0.024 0.000 0.851 345 S CB 1.085 64.254 63.200 -0.051 0.000 1.217 345 S HN 1.498 nan 8.310 nan 0.000 0.526 346 S N -0.972 114.740 115.700 0.021 0.000 2.552 346 S HA 0.533 5.003 4.470 -0.000 0.000 0.272 346 S C -1.455 173.239 174.600 0.156 0.000 1.150 346 S CA -0.731 57.539 58.200 0.117 0.000 0.849 346 S CB 1.522 64.820 63.200 0.165 0.000 1.113 346 S HN 0.740 nan 8.310 nan 0.000 0.458 347 K N 1.365 121.853 120.400 0.147 0.000 2.438 347 K HA 0.251 4.571 4.320 -0.000 0.000 0.205 347 K C -0.283 176.425 176.600 0.179 0.000 1.033 347 K CA -0.158 56.240 56.287 0.186 0.000 1.089 347 K CB 0.535 33.116 32.500 0.134 0.000 0.857 347 K HN 0.391 nan 8.250 nan 0.000 0.522 348 K N 0.997 121.465 120.400 0.115 0.000 2.118 348 K HA 0.111 4.431 4.320 -0.000 0.000 0.264 348 K C 0.832 177.385 176.600 -0.078 0.000 1.000 348 K CA -0.255 56.014 56.287 -0.029 0.000 0.929 348 K CB 1.363 33.824 32.500 -0.066 0.000 1.021 348 K HN -0.024 nan 8.250 nan 0.000 0.463 349 Q N 1.247 120.801 119.800 -0.411 0.000 2.016 349 Q HA -0.111 4.228 4.340 -0.000 0.000 0.200 349 Q C -0.162 175.778 176.000 -0.100 0.000 0.978 349 Q CA 1.325 56.727 55.803 -0.669 0.000 0.833 349 Q CB 0.305 28.474 28.738 -0.948 0.000 0.895 349 Q HN 0.460 nan 8.270 nan 0.000 0.427 350 N N 1.828 120.445 118.700 -0.139 0.000 2.976 350 N HA 0.296 5.035 4.740 -0.000 0.000 0.255 350 N C -2.590 172.814 175.510 -0.176 0.000 1.312 350 N CA -0.970 52.027 53.050 -0.088 0.000 0.897 350 N CB 1.532 39.996 38.487 -0.038 0.000 1.184 350 N HN 0.313 nan 8.380 nan 0.000 0.497 351 P HA 0.270 nan 4.420 nan 0.000 0.276 351 P C -0.290 176.934 177.300 -0.128 0.000 1.261 351 P CA -0.065 62.884 63.100 -0.252 0.000 0.800 351 P CB 1.275 32.768 31.700 -0.345 0.000 1.066 352 T N 0.400 114.897 114.554 -0.094 0.000 2.876 352 T HA 0.390 4.740 4.350 -0.000 0.000 0.289 352 T C -0.921 173.676 174.700 -0.171 0.000 1.014 352 T CA -0.252 61.782 62.100 -0.110 0.000 0.986 352 T CB 0.754 69.546 68.868 -0.127 0.000 1.021 352 T HN 0.497 nan 8.240 nan 0.000 0.458 353 H N 0.879 119.732 119.070 -0.361 0.000 2.961 353 H HA 0.538 5.093 4.556 -0.000 0.000 0.371 353 H C -1.504 173.570 175.328 -0.423 0.000 1.190 353 H CA -0.435 55.247 56.048 -0.611 0.000 1.138 353 H CB 2.257 31.230 29.762 -1.315 0.000 1.816 353 H HN 0.590 nan 8.280 nan 0.000 0.551 354 T N 4.262 118.210 114.554 -1.008 0.000 2.890 354 T HA 0.259 4.608 4.350 -0.000 0.000 0.295 354 T C -0.863 173.427 174.700 -0.684 0.000 0.993 354 T CA -0.518 61.258 62.100 -0.541 0.000 0.979 354 T CB 0.230 68.886 68.868 -0.352 0.000 0.967 354 T HN 0.267 nan 8.240 nan 0.000 0.441 355 Y N 1.570 121.747 120.300 -0.204 0.000 2.304 355 Y HA 0.297 4.847 4.550 -0.000 0.000 0.327 355 Y C 1.888 177.751 175.900 -0.061 0.000 1.209 355 Y CA -0.546 57.491 58.100 -0.105 0.000 1.299 355 Y CB 1.003 39.434 38.460 -0.049 0.000 1.249 355 Y HN 0.727 nan 8.280 nan 0.000 0.519 356 S N -0.600 115.159 115.700 0.099 0.000 2.524 356 S HA 0.233 4.703 4.470 -0.000 0.000 0.216 356 S C -0.030 174.654 174.600 0.139 0.000 0.987 356 S CA -0.104 58.143 58.200 0.078 0.000 0.909 356 S CB -0.059 63.163 63.200 0.036 0.000 0.781 356 S HN 0.732 nan 8.310 nan 0.000 0.521 357 E N 1.285 121.625 120.200 0.234 0.000 2.408 357 E HA 0.384 4.733 4.350 -0.000 0.000 0.275 357 E C -1.020 175.759 176.600 0.298 0.000 0.935 357 E CA -0.858 55.684 56.400 0.236 0.000 0.775 357 E CB 1.817 31.657 29.700 0.233 0.000 1.277 357 E HN 0.325 nan 8.360 nan 0.000 0.455 358 T N -1.051 113.616 114.554 0.188 0.000 2.860 358 T HA 0.645 4.995 4.350 -0.000 0.000 0.299 358 T C 0.574 175.318 174.700 0.074 0.000 1.045 358 T CA 0.168 62.353 62.100 0.143 0.000 1.071 358 T CB 1.165 70.081 68.868 0.080 0.000 0.985 358 T HN 0.785 nan 8.240 nan 0.000 0.537 359 G N 0.247 109.018 108.800 -0.049 0.000 2.368 359 G HA2 0.318 4.278 3.960 -0.000 0.000 0.302 359 G HA3 0.318 4.278 3.960 -0.000 0.000 0.302 359 G C -1.685 172.927 174.900 -0.481 0.000 1.329 359 G CA -0.675 44.239 45.100 -0.311 0.000 0.935 359 G HN 1.112 nan 8.290 nan 0.000 0.590 360 I N 0.848 121.096 120.570 -0.537 0.000 2.354 360 I HA 0.695 4.865 4.170 -0.000 0.000 0.286 360 I C -1.038 174.809 176.117 -0.452 0.000 1.007 360 I CA -1.083 60.004 61.300 -0.356 0.000 1.167 360 I CB 0.438 38.345 38.000 -0.156 0.000 1.320 360 I HN 0.491 nan 8.210 nan 0.000 0.458 361 Y N 4.057 124.357 120.300 -0.001 0.000 2.446 361 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 361 Y C 0.488 176.450 175.900 0.104 0.000 1.055 361 Y CA -0.868 57.273 58.100 0.070 0.000 1.101 361 Y CB 1.918 40.450 38.460 0.120 0.000 1.221 361 Y HN 0.313 nan 8.280 nan 0.000 0.460 362 T N 3.098 117.815 114.554 0.272 0.000 2.781 362 T HA 0.368 4.718 4.350 -0.000 0.000 0.305 362 T C -0.539 174.283 174.700 0.203 0.000 1.001 362 T CA -0.500 61.718 62.100 0.197 0.000 0.950 362 T CB -0.065 68.878 68.868 0.125 0.000 0.955 362 T HN 0.306 nan 8.240 nan 0.000 0.471 363 V N 5.514 125.568 119.914 0.233 0.000 2.432 363 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 363 V C 0.472 176.618 176.094 0.086 0.000 1.043 363 V CA -0.590 61.805 62.300 0.159 0.000 0.925 363 V CB 0.969 32.926 31.823 0.223 0.000 0.985 363 V HN 0.663 nan 8.190 nan 0.000 0.466 364 R N 4.783 125.238 120.500 -0.075 0.000 2.480 364 R HA 0.629 4.969 4.340 -0.000 0.000 0.306 364 R C -1.635 174.446 176.300 -0.366 0.000 0.958 364 R CA -0.809 55.218 56.100 -0.121 0.000 0.861 364 R CB 1.527 31.774 30.300 -0.088 0.000 1.171 364 R HN 0.586 nan 8.270 nan 0.000 0.445 365 L N 3.888 124.846 121.223 -0.443 0.000 2.280 365 L HA 0.456 4.796 4.340 -0.000 0.000 0.287 365 L C -1.224 175.386 176.870 -0.433 0.000 1.023 365 L CA 0.229 54.577 54.840 -0.819 0.000 0.819 365 L CB 1.955 43.314 42.059 -1.168 0.000 1.212 365 L HN 0.629 nan 8.230 nan 0.000 0.420 366 T N 5.582 119.896 114.554 -0.400 0.000 2.788 366 T HA 0.547 4.896 4.350 -0.000 0.000 0.296 366 T C -0.096 174.446 174.700 -0.262 0.000 1.009 366 T CA -0.386 61.561 62.100 -0.256 0.000 0.949 366 T CB 0.940 69.692 68.868 -0.192 0.000 0.946 366 T HN 0.535 nan 8.240 nan 0.000 0.453 367 V N 1.354 121.116 119.914 -0.254 0.000 3.109 367 V HA 0.975 5.094 4.120 -0.000 0.000 0.317 367 V C 0.037 175.966 176.094 -0.276 0.000 1.074 367 V CA -0.565 61.533 62.300 -0.337 0.000 1.033 367 V CB 1.825 33.447 31.823 -0.334 0.000 1.111 367 V HN 0.764 nan 8.190 nan 0.000 0.458 368 S N 1.179 116.674 115.700 -0.342 0.000 2.588 368 S HA 0.716 5.185 4.470 -0.000 0.000 0.269 368 S C -1.285 173.172 174.600 -0.239 0.000 1.157 368 S CA -0.602 57.461 58.200 -0.228 0.000 0.824 368 S CB 1.898 64.990 63.200 -0.179 0.000 1.126 368 S HN 1.428 nan 8.310 nan 0.000 0.464 369 N N -1.164 117.452 118.700 -0.140 0.000 3.020 369 N HA 0.275 5.014 4.740 -0.000 0.000 0.248 369 N C 0.458 175.924 175.510 -0.073 0.000 1.480 369 N CA -0.189 52.789 53.050 -0.119 0.000 0.874 369 N CB 0.367 38.791 38.487 -0.105 0.000 1.433 369 N HN 0.409 nan 8.380 nan 0.000 0.530 370 S N -0.568 115.090 115.700 -0.069 0.000 2.520 370 S HA -0.178 4.291 4.470 -0.000 0.000 0.249 370 S C 0.379 174.948 174.600 -0.051 0.000 0.983 370 S CA 1.480 59.646 58.200 -0.056 0.000 0.958 370 S CB -1.022 62.144 63.200 -0.057 0.000 0.750 370 S HN 0.651 nan 8.310 nan 0.000 0.527 371 N N -0.007 118.664 118.700 -0.049 0.000 2.463 371 N HA 0.433 5.173 4.740 -0.000 0.000 0.183 371 N C 0.740 176.325 175.510 0.124 0.000 1.064 371 N CA 0.266 53.288 53.050 -0.047 0.000 0.879 371 N CB 0.813 39.169 38.487 -0.218 0.000 1.148 371 N HN 0.498 nan 8.380 nan 0.000 0.451 372 G N -0.694 108.205 108.800 0.164 0.000 2.494 372 G HA2 0.429 4.388 3.960 -0.000 0.000 0.308 372 G HA3 0.429 4.388 3.960 -0.000 0.000 0.308 372 G C -1.610 173.311 174.900 0.034 0.000 1.263 372 G CA -0.327 44.879 45.100 0.176 0.000 0.840 372 G HN -0.096 nan 8.290 nan 0.000 0.479 373 T N -0.016 114.513 114.554 -0.042 0.000 2.903 373 T HA 0.676 5.026 4.350 -0.000 0.000 0.299 373 T C -1.794 172.837 174.700 -0.114 0.000 1.093 373 T CA -0.304 61.744 62.100 -0.087 0.000 1.002 373 T CB 2.243 71.056 68.868 -0.091 0.000 1.127 373 T HN 0.675 nan 8.240 nan 0.000 0.488 374 D N -0.159 120.173 120.400 -0.113 0.000 2.661 374 D HA 0.656 5.296 4.640 -0.000 0.000 0.228 374 D C -1.296 174.938 176.300 -0.109 0.000 1.210 374 D CA -0.200 53.737 54.000 -0.105 0.000 0.826 374 D CB 2.325 43.075 40.800 -0.082 0.000 1.542 374 D HN 0.412 nan 8.370 nan 0.000 0.447 375 S N 0.862 116.508 115.700 -0.090 0.000 2.599 375 S HA 0.703 5.172 4.470 -0.000 0.000 0.287 375 S C -1.757 172.815 174.600 -0.046 0.000 1.105 375 S CA -0.525 57.623 58.200 -0.087 0.000 0.899 375 S CB 1.523 64.672 63.200 -0.084 0.000 1.100 375 S HN 0.431 nan 8.310 nan 0.000 0.482 376 Q N 2.727 122.521 119.800 -0.010 0.000 2.271 376 Q HA 0.571 4.911 4.340 -0.000 0.000 0.268 376 Q C -1.788 174.306 176.000 0.156 0.000 1.021 376 Q CA -0.500 55.336 55.803 0.055 0.000 0.802 376 Q CB 0.976 29.766 28.738 0.087 0.000 1.282 376 Q HN 0.579 nan 8.270 nan 0.000 0.431 377 I N 1.781 122.407 120.570 0.093 0.000 2.577 377 I HA 0.694 4.864 4.170 -0.000 0.000 0.305 377 I C -0.387 175.826 176.117 0.159 0.000 0.986 377 I CA -0.371 61.009 61.300 0.133 0.000 1.189 377 I CB 1.735 39.773 38.000 0.064 0.000 1.355 377 I HN 0.700 nan 8.210 nan 0.000 0.476 378 S N 2.391 118.246 115.700 0.258 0.000 2.535 378 S HA 0.497 4.967 4.470 -0.000 0.000 0.272 378 S C -0.853 173.899 174.600 0.254 0.000 1.149 378 S CA -0.335 58.026 58.200 0.269 0.000 0.888 378 S CB 1.485 64.988 63.200 0.504 0.000 1.110 378 S HN 0.611 nan 8.310 nan 0.000 0.463 379 T N 3.153 117.819 114.554 0.188 0.000 2.771 379 T HA 0.557 4.907 4.350 -0.000 0.000 0.281 379 T C -0.820 173.984 174.700 0.173 0.000 0.982 379 T CA -0.319 61.878 62.100 0.161 0.000 0.978 379 T CB 1.062 69.987 68.868 0.095 0.000 0.930 379 T HN 0.416 nan 8.240 nan 0.000 0.447 380 V N 5.393 125.418 119.914 0.186 0.000 2.357 380 V HA 0.362 4.482 4.120 -0.000 0.000 0.284 380 V C 0.074 176.209 176.094 0.068 0.000 1.018 380 V CA -1.040 61.349 62.300 0.147 0.000 0.841 380 V CB 1.391 33.325 31.823 0.184 0.000 0.991 380 V HN 0.770 nan 8.190 nan 0.000 0.437 381 N N 3.832 122.566 118.700 0.057 0.000 2.437 381 N HA 0.327 5.067 4.740 -0.000 0.000 0.243 381 N C -0.715 174.831 175.510 0.060 0.000 1.041 381 N CA -0.084 52.992 53.050 0.044 0.000 0.940 381 N CB 1.989 40.526 38.487 0.083 0.000 1.133 381 N HN 0.390 nan 8.380 nan 0.000 0.506 382 V N 3.490 123.427 119.914 0.037 0.000 2.370 382 V HA 0.402 4.521 4.120 -0.000 0.000 0.279 382 V C 0.471 176.628 176.094 0.105 0.000 1.029 382 V CA -0.620 61.732 62.300 0.087 0.000 0.870 382 V CB 1.226 33.119 31.823 0.116 0.000 0.984 382 V HN 0.355 nan 8.190 nan 0.000 0.451 383 V N 3.160 123.169 119.914 0.159 0.000 3.130 383 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 383 V C -0.524 175.713 176.094 0.237 0.000 1.158 383 V CA -1.154 61.232 62.300 0.142 0.000 1.029 383 V CB 2.009 33.867 31.823 0.058 0.000 1.057 383 V HN 0.579 nan 8.190 nan 0.000 0.436 384 L N 1.297 122.595 121.223 0.125 0.000 2.418 384 L HA 0.441 4.780 4.340 -0.000 0.000 0.265 384 L C 0.736 177.584 176.870 -0.037 0.000 1.143 384 L CA -0.351 54.524 54.840 0.058 0.000 0.809 384 L CB 0.676 42.738 42.059 0.005 0.000 1.124 384 L HN 0.692 nan 8.230 nan 0.000 0.456 385 K N 0.970 121.194 120.400 -0.294 0.000 2.451 385 K HA 0.151 4.470 4.320 -0.000 0.000 0.280 385 K C 0.875 177.320 176.600 -0.259 0.000 1.020 385 K CA 1.073 56.994 56.287 -0.610 0.000 1.008 385 K CB 0.309 32.407 32.500 -0.670 0.000 0.917 385 K HN 0.844 nan 8.250 nan 0.000 0.478 386 G N 1.881 110.572 108.800 -0.180 0.000 2.195 386 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 386 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 386 G C 0.074 174.937 174.900 -0.063 0.000 0.984 386 G CA 0.186 45.229 45.100 -0.095 0.000 0.633 386 G HN 0.585 nan 8.290 nan 0.000 0.525 387 S N 1.499 117.166 115.700 -0.055 0.000 2.632 387 S HA 0.582 5.052 4.470 -0.000 0.000 0.267 387 S C -1.863 172.695 174.600 -0.070 0.000 1.276 387 S CA -0.710 57.462 58.200 -0.046 0.000 0.998 387 S CB 1.075 64.260 63.200 -0.026 0.000 0.953 387 S HN 0.264 nan 8.310 nan 0.000 0.547 388 P HA 0.126 nan 4.420 nan 0.000 0.265 388 P C -0.327 176.899 177.300 -0.122 0.000 1.193 388 P CA -0.085 62.972 63.100 -0.072 0.000 0.765 388 P CB 0.137 31.809 31.700 -0.045 0.000 0.823 389 T N 0.853 115.323 114.554 -0.140 0.000 2.934 389 T HA 0.564 4.913 4.350 -0.000 0.000 0.283 389 T C -1.832 172.831 174.700 -0.061 0.000 1.005 389 T CA -1.561 60.421 62.100 -0.198 0.000 1.041 389 T CB 0.121 68.867 68.868 -0.204 0.000 1.042 389 T HN 0.255 nan 8.240 nan 0.000 0.505 390 P HA 0.255 nan 4.420 nan 0.000 0.274 390 P C 0.000 177.326 177.300 0.042 0.000 1.260 390 P CA -0.533 62.588 63.100 0.034 0.000 0.793 390 P CB 0.436 32.180 31.700 0.075 0.000 1.048 391 S N 0.000 115.720 115.700 0.033 0.000 2.498 391 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 391 S CA 0.000 58.218 58.200 0.029 0.000 1.107 391 S CB 0.000 63.211 63.200 0.018 0.000 0.593 391 S HN 0.000 nan 8.310 nan 0.000 0.517