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 1mei_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKYYNEPCHT FNEYLLIPGL STVDcIPSNV NLSTPLVKFQ KGQQSEINLK DATA SEQUENCE IPLVSAIMQS VSGEKMAIAL AREGGISFIF GSQSIESQAA MVHAVKNFKA DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX HNELVDSQKR YLVGAGINTR DFRERVPALV DATA SEQUENCE EAGADVLCID SSDGFSEWQK ITIGWIREKY GDKVKVGAGN IVDGEGFRYL DATA SEQUENCE ADAGADFIKI GIGGGSICIT REQKGIGRGQ ATAVIDVVAE RNKYFEETGI DATA SEQUENCE YIPVCSDGGI VYDYHMTLAL AMGADFIMLG RYFARFEESP TRKVTINGSV DATA SEQUENCE MKEYWGEGSS RARNWXXXXX XXXXXXSFEE GVDSYVPYAG KLKDNVEASL DATA SEQUENCE NKVKSTMcNC GALTIPQLQS KAKITLVSSV SI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.389 177.584 -0.324 0.000 1.274 2 A CA 0.000 51.908 52.037 -0.215 0.000 0.836 2 A CB 0.000 18.811 19.000 -0.315 0.000 0.831 3 K N 0.979 121.122 120.400 -0.429 0.000 2.206 3 K HA 0.649 4.970 4.320 0.000 0.000 0.264 3 K C -1.666 174.561 176.600 -0.621 0.000 0.967 3 K CA -0.146 55.903 56.287 -0.397 0.000 0.844 3 K CB 0.729 33.057 32.500 -0.287 0.000 1.099 3 K HN 0.619 nan 8.250 nan 0.000 0.441 4 Y N 1.741 121.927 120.300 -0.190 0.000 2.650 4 Y HA 0.402 4.953 4.550 0.001 0.000 0.331 4 Y C -0.575 175.131 175.900 -0.323 0.000 1.082 4 Y CA -0.638 57.393 58.100 -0.115 0.000 1.171 4 Y CB 1.131 39.582 38.460 -0.016 0.000 1.326 4 Y HN 0.414 nan 8.280 nan 0.000 0.513 5 Y N -0.730 119.678 120.300 0.181 0.000 2.524 5 Y HA 0.322 4.872 4.550 0.000 0.000 0.344 5 Y C 0.624 176.574 175.900 0.084 0.000 1.012 5 Y CA -1.192 56.967 58.100 0.097 0.000 1.068 5 Y CB 1.291 39.786 38.460 0.059 0.000 1.249 5 Y HN 0.546 nan 8.280 nan 0.000 0.468 6 N N 0.130 118.953 118.700 0.204 0.000 2.331 6 N HA -0.052 4.688 4.740 0.000 0.000 0.180 6 N C -0.532 175.050 175.510 0.121 0.000 1.019 6 N CA 0.720 53.847 53.050 0.128 0.000 0.881 6 N CB 0.335 38.880 38.487 0.097 0.000 0.972 6 N HN 0.490 nan 8.380 nan 0.000 0.435 7 E N 0.328 120.613 120.200 0.142 0.000 2.343 7 E HA 0.331 4.682 4.350 0.000 0.000 0.270 7 E C -2.380 174.240 176.600 0.033 0.000 0.895 7 E CA -1.764 54.694 56.400 0.097 0.000 0.767 7 E CB 1.633 31.407 29.700 0.122 0.000 1.248 7 E HN 0.011 nan 8.360 nan 0.000 0.440 8 P HA 0.215 nan 4.420 nan 0.000 0.276 8 P C 0.051 177.124 177.300 -0.377 0.000 1.244 8 P CA -0.439 62.556 63.100 -0.175 0.000 0.801 8 P CB 0.498 32.090 31.700 -0.181 0.000 1.006 9 C N 0.662 119.746 119.300 -0.360 0.000 2.520 9 C HA 0.578 5.039 4.460 0.000 0.000 0.376 9 C C 0.272 174.946 174.990 -0.526 0.000 1.268 9 C CA -0.581 58.227 59.018 -0.351 0.000 2.414 9 C CB -0.303 27.299 27.740 -0.230 0.000 2.521 9 C HN 0.580 nan 8.230 nan 0.000 0.618 10 H N -0.074 118.986 119.070 -0.016 0.000 2.865 10 H HA 0.590 5.147 4.556 0.000 0.000 0.372 10 H C 0.008 175.322 175.328 -0.023 0.000 1.173 10 H CA 0.041 56.094 56.048 0.008 0.000 1.147 10 H CB 2.020 31.828 29.762 0.077 0.000 1.805 10 H HN 0.927 nan 8.280 nan 0.000 0.553 11 T N -1.845 112.761 114.554 0.087 0.000 2.923 11 T HA 0.227 4.577 4.350 0.000 0.000 0.281 11 T C 1.080 175.791 174.700 0.018 0.000 0.995 11 T CA -0.627 61.418 62.100 -0.093 0.000 0.985 11 T CB 0.626 69.446 68.868 -0.080 0.000 1.114 11 T HN 0.230 nan 8.240 nan 0.000 0.548 12 F N 0.866 120.757 119.950 -0.097 0.000 2.250 12 F HA 0.003 4.531 4.527 0.000 0.000 0.301 12 F C 2.402 178.136 175.800 -0.110 0.000 1.077 12 F CA 0.660 58.524 58.000 -0.226 0.000 1.348 12 F CB -1.064 37.468 39.000 -0.780 0.000 1.040 12 F HN 0.508 nan 8.300 nan 0.000 0.509 13 N N 0.514 119.277 118.700 0.104 0.000 2.520 13 N HA -0.132 4.609 4.740 0.000 0.000 0.185 13 N C 1.052 176.723 175.510 0.268 0.000 1.068 13 N CA 0.752 54.000 53.050 0.330 0.000 0.911 13 N CB -0.303 38.367 38.487 0.306 0.000 0.961 13 N HN 0.491 nan 8.380 nan 0.000 0.446 14 E N -0.910 119.385 120.200 0.159 0.000 2.465 14 E HA 0.051 4.401 4.350 0.000 0.000 0.191 14 E C -0.513 175.920 176.600 -0.278 0.000 1.053 14 E CA 0.039 56.391 56.400 -0.080 0.000 0.869 14 E CB 0.285 29.852 29.700 -0.221 0.000 0.977 14 E HN 0.313 nan 8.360 nan 0.000 0.483 15 Y N -0.062 120.331 120.300 0.154 0.000 2.536 15 Y HA 0.540 5.091 4.550 0.000 0.000 0.347 15 Y C -0.146 175.874 175.900 0.200 0.000 1.000 15 Y CA -0.898 57.286 58.100 0.140 0.000 1.051 15 Y CB 1.618 40.162 38.460 0.140 0.000 1.259 15 Y HN -0.185 nan 8.280 nan 0.000 0.468 16 L N 2.352 123.752 121.223 0.294 0.000 2.424 16 L HA 0.545 4.885 4.340 0.000 0.000 0.258 16 L C -1.363 175.598 176.870 0.152 0.000 0.995 16 L CA -0.949 54.001 54.840 0.183 0.000 0.821 16 L CB 2.578 44.679 42.059 0.070 0.000 1.383 16 L HN 0.439 nan 8.230 nan 0.000 0.410 17 L N 2.564 123.848 121.223 0.102 0.000 2.307 17 L HA 0.508 4.848 4.340 0.000 0.000 0.282 17 L C -0.526 176.367 176.870 0.039 0.000 1.051 17 L CA -0.358 54.525 54.840 0.072 0.000 0.804 17 L CB 1.672 43.768 42.059 0.061 0.000 1.197 17 L HN 0.383 nan 8.230 nan 0.000 0.431 18 I N 4.537 125.128 120.570 0.035 0.000 2.321 18 I HA 0.286 4.456 4.170 0.000 0.000 0.291 18 I C -1.979 174.147 176.117 0.015 0.000 0.998 18 I CA -1.924 59.388 61.300 0.021 0.000 1.227 18 I CB 1.531 39.544 38.000 0.023 0.000 1.368 18 I HN 0.317 nan 8.210 nan 0.000 0.466 19 P HA 0.068 nan 4.420 nan 0.000 0.267 19 P C 0.043 177.346 177.300 0.006 0.000 1.201 19 P CA -0.028 63.075 63.100 0.004 0.000 0.775 19 P CB 0.627 32.326 31.700 -0.001 0.000 0.854 20 G N 0.963 109.767 108.800 0.005 0.000 3.075 20 G HA2 0.502 4.462 3.960 0.000 0.000 0.253 20 G HA3 0.502 4.462 3.960 0.000 0.000 0.253 20 G C -1.240 173.662 174.900 0.003 0.000 1.353 20 G CA -0.668 44.435 45.100 0.006 0.000 1.051 20 G HN 0.518 nan 8.290 nan 0.000 0.553 21 L N 0.988 122.213 121.223 0.003 0.000 2.418 21 L HA 0.462 4.802 4.340 0.000 0.000 0.274 21 L C 0.222 177.093 176.870 0.001 0.000 1.135 21 L CA -0.093 54.748 54.840 0.002 0.000 0.870 21 L CB 0.577 42.638 42.059 0.002 0.000 1.154 21 L HN 0.194 nan 8.230 nan 0.000 0.462 22 S N 3.339 119.039 115.700 -0.000 0.000 2.422 22 S HA 0.457 4.927 4.470 0.000 0.000 0.298 22 S C 0.137 174.736 174.600 -0.001 0.000 1.118 22 S CA -0.507 57.692 58.200 -0.001 0.000 1.083 22 S CB 0.552 63.751 63.200 -0.002 0.000 0.971 22 S HN 0.828 nan 8.310 nan 0.000 0.478 23 T N -0.651 113.902 114.554 -0.001 0.000 2.874 23 T HA 0.297 4.648 4.350 0.000 0.000 0.281 23 T C 1.793 176.493 174.700 -0.002 0.000 0.994 23 T CA -0.630 61.470 62.100 -0.001 0.000 1.015 23 T CB 0.743 69.611 68.868 -0.000 0.000 1.028 23 T HN 0.388 nan 8.240 nan 0.000 0.523 24 V N -0.618 119.295 119.914 -0.002 0.000 2.469 24 V HA -0.139 3.981 4.120 0.000 0.000 0.251 24 V C 2.009 178.101 176.094 -0.002 0.000 1.064 24 V CA 1.869 64.168 62.300 -0.002 0.000 1.066 24 V CB -1.206 30.616 31.823 -0.002 0.000 0.667 24 V HN 0.967 nan 8.190 nan 0.000 0.461 25 D N -0.591 119.808 120.400 -0.002 0.000 2.363 25 D HA -0.049 4.591 4.640 0.000 0.000 0.226 25 D C 0.890 177.188 176.300 -0.002 0.000 1.020 25 D CA 0.380 54.379 54.000 -0.002 0.000 0.892 25 D CB -0.749 40.050 40.800 -0.002 0.000 0.900 25 D HN 0.514 nan 8.370 nan 0.000 0.531 26 c N 2.447 121.046 118.600 -0.002 0.000 2.168 26 c HA 0.545 5.115 4.570 0.000 0.000 0.333 26 c C 0.216 174.304 174.090 -0.003 0.000 1.106 26 c CA -0.909 55.418 56.329 -0.002 0.000 1.574 26 c CB -2.056 40.453 42.510 -0.002 0.000 2.055 26 c HN 0.319 nan 8.230 nan 0.000 0.473 27 I N 3.648 124.216 120.570 -0.003 0.000 2.689 27 I HA 0.505 4.676 4.170 0.000 0.000 0.299 27 I C -2.189 173.926 176.117 -0.003 0.000 1.059 27 I CA -2.586 58.712 61.300 -0.003 0.000 1.055 27 I CB 1.581 39.579 38.000 -0.003 0.000 1.243 27 I HN 0.109 nan 8.210 nan 0.000 0.425 28 P HA -0.245 nan 4.420 nan 0.000 0.218 28 P C 1.703 179.002 177.300 -0.002 0.000 1.154 28 P CA 2.408 65.507 63.100 -0.002 0.000 0.872 28 P CB 0.056 31.754 31.700 -0.003 0.000 0.790 29 S N -1.818 113.881 115.700 -0.002 0.000 2.442 29 S HA -0.121 4.349 4.470 0.000 0.000 0.236 29 S C 1.559 176.158 174.600 -0.001 0.000 1.007 29 S CA 1.177 59.376 58.200 -0.001 0.000 0.965 29 S CB -1.049 62.150 63.200 -0.001 0.000 0.773 29 S HN 0.120 nan 8.310 nan 0.000 0.504 30 N N 1.017 119.716 118.700 -0.002 0.000 2.280 30 N HA 0.220 4.960 4.740 0.000 0.000 0.192 30 N C -0.414 175.095 175.510 -0.003 0.000 1.109 30 N CA 0.048 53.097 53.050 -0.002 0.000 0.855 30 N CB 0.374 38.860 38.487 -0.003 0.000 0.974 30 N HN 0.284 nan 8.380 nan 0.000 0.482 31 V N 1.794 121.707 119.914 -0.002 0.000 2.555 31 V HA 0.057 4.178 4.120 0.000 0.000 0.286 31 V C 0.606 176.699 176.094 -0.002 0.000 1.044 31 V CA -0.636 61.663 62.300 -0.002 0.000 1.026 31 V CB 0.781 32.603 31.823 -0.001 0.000 0.981 31 V HN 0.223 nan 8.190 nan 0.000 0.480 32 N N 3.985 122.683 118.700 -0.004 0.000 2.426 32 N HA 0.281 5.022 4.740 0.000 0.000 0.257 32 N C -0.110 175.399 175.510 -0.002 0.000 1.002 32 N CA -0.833 52.215 53.050 -0.005 0.000 0.942 32 N CB 0.960 39.442 38.487 -0.009 0.000 1.112 32 N HN 0.497 nan 8.380 nan 0.000 0.499 33 L N 2.485 123.708 121.223 -0.000 0.000 2.741 33 L HA 0.269 4.609 4.340 0.000 0.000 0.237 33 L C 0.232 177.105 176.870 0.005 0.000 1.178 33 L CA 0.251 55.094 54.840 0.004 0.000 0.973 33 L CB -0.514 41.549 42.059 0.006 0.000 1.255 33 L HN 0.457 nan 8.230 nan 0.000 0.498 34 S N -0.629 115.070 115.700 -0.002 0.000 2.579 34 S HA 0.417 4.887 4.470 0.000 0.000 0.275 34 S C 0.454 175.057 174.600 0.004 0.000 1.345 34 S CA 0.087 58.282 58.200 -0.008 0.000 1.031 34 S CB 1.067 64.254 63.200 -0.021 0.000 0.892 34 S HN 0.336 nan 8.310 nan 0.000 0.529 35 T N 2.610 117.169 114.554 0.007 0.000 2.957 35 T HA 0.429 4.779 4.350 0.000 0.000 0.336 35 T C -3.116 171.614 174.700 0.049 0.000 1.462 35 T CA -1.487 60.644 62.100 0.051 0.000 1.073 35 T CB 1.572 70.503 68.868 0.105 0.000 1.319 35 T HN 0.304 nan 8.240 nan 0.000 0.485 36 P HA 0.234 nan 4.420 nan 0.000 0.276 36 P C 0.216 177.618 177.300 0.171 0.000 1.230 36 P CA -0.405 62.800 63.100 0.175 0.000 0.776 36 P CB 1.271 33.200 31.700 0.383 0.000 0.888 37 L N 4.863 126.114 121.223 0.047 0.000 2.286 37 L HA 0.107 4.447 4.340 0.000 0.000 0.203 37 L C 0.608 177.596 176.870 0.197 0.000 1.068 37 L CA 1.199 55.965 54.840 -0.123 0.000 0.811 37 L CB 0.103 42.015 42.059 -0.245 0.000 0.989 37 L HN 0.304 nan 8.230 nan 0.000 0.467 38 V N -2.112 117.970 119.914 0.281 0.000 2.960 38 V HA 0.448 4.569 4.120 0.000 0.000 0.315 38 V C -0.329 176.009 176.094 0.406 0.000 1.087 38 V CA -1.152 61.366 62.300 0.364 0.000 0.982 38 V CB 1.261 33.257 31.823 0.287 0.000 1.039 38 V HN 0.375 nan 8.190 nan 0.000 0.437 39 K N 1.964 122.557 120.400 0.321 0.000 2.380 39 K HA 0.497 4.817 4.320 0.000 0.000 0.267 39 K C -0.713 176.095 176.600 0.346 0.000 0.990 39 K CA 0.010 56.444 56.287 0.244 0.000 0.946 39 K CB 0.393 32.972 32.500 0.133 0.000 0.937 39 K HN 0.947 nan 8.250 nan 0.000 0.491 40 F N -2.643 117.449 119.950 0.237 0.000 2.711 40 F HA 0.362 4.889 4.527 0.000 0.000 0.313 40 F C -1.076 174.871 175.800 0.245 0.000 1.141 40 F CA -1.506 56.611 58.000 0.195 0.000 0.941 40 F CB 0.983 40.074 39.000 0.151 0.000 1.349 40 F HN 0.284 nan 8.300 nan 0.000 0.464 41 Q N 1.257 121.300 119.800 0.406 0.000 2.212 41 Q HA 0.274 4.614 4.340 0.000 0.000 0.238 41 Q C -0.701 175.568 176.000 0.449 0.000 0.955 41 Q CA -0.909 55.083 55.803 0.315 0.000 0.906 41 Q CB 1.812 30.675 28.738 0.208 0.000 1.215 41 Q HN 0.774 nan 8.270 nan 0.000 0.478 42 K N -0.395 120.239 120.400 0.389 0.000 2.485 42 K HA 0.097 4.417 4.320 0.000 0.000 0.277 42 K C 0.724 177.496 176.600 0.285 0.000 0.990 42 K CA 1.239 57.783 56.287 0.428 0.000 0.994 42 K CB -0.075 32.565 32.500 0.233 0.000 0.906 42 K HN 0.802 nan 8.250 nan 0.000 0.488 43 G N 2.105 111.065 108.800 0.265 0.000 2.225 43 G HA2 -0.275 3.686 3.960 0.000 0.000 0.254 43 G HA3 -0.275 3.686 3.960 0.000 0.000 0.254 43 G C -0.056 174.913 174.900 0.116 0.000 0.988 43 G CA 0.401 45.592 45.100 0.153 0.000 0.625 43 G HN 0.639 nan 8.290 nan 0.000 0.527 44 Q N -0.528 119.376 119.800 0.174 0.000 2.427 44 Q HA 0.740 5.080 4.340 0.000 0.000 0.232 44 Q C -0.270 175.609 176.000 -0.203 0.000 1.018 44 Q CA -0.873 54.965 55.803 0.059 0.000 0.965 44 Q CB 0.833 29.663 28.738 0.153 0.000 1.232 44 Q HN 0.263 nan 8.270 nan 0.000 0.510 45 Q N 0.167 119.758 119.800 -0.348 0.000 2.351 45 Q HA 0.370 4.710 4.340 0.000 0.000 0.273 45 Q C -0.881 174.721 176.000 -0.665 0.000 1.077 45 Q CA -0.505 54.914 55.803 -0.640 0.000 0.843 45 Q CB 2.177 30.723 28.738 -0.321 0.000 1.367 45 Q HN 0.588 nan 8.270 nan 0.000 0.449 46 S N 0.187 115.439 115.700 -0.746 0.000 2.576 46 S HA 0.028 4.498 4.470 0.000 0.000 0.276 46 S C 0.833 175.390 174.600 -0.072 0.000 1.339 46 S CA -0.012 58.068 58.200 -0.201 0.000 1.039 46 S CB 0.457 63.675 63.200 0.029 0.000 0.902 46 S HN 0.484 nan 8.310 nan 0.000 0.516 47 E N 2.390 122.610 120.200 0.034 0.000 2.268 47 E HA 0.058 4.408 4.350 0.000 0.000 0.195 47 E C -0.215 176.389 176.600 0.006 0.000 0.995 47 E CA 0.787 57.200 56.400 0.021 0.000 0.836 47 E CB 0.061 29.793 29.700 0.054 0.000 0.763 47 E HN 0.575 nan 8.360 nan 0.000 0.491 48 I N 1.572 122.152 120.570 0.017 0.000 2.478 48 I HA 0.230 4.400 4.170 0.000 0.000 0.287 48 I C -0.817 175.282 176.117 -0.031 0.000 1.042 48 I CA -0.639 60.655 61.300 -0.011 0.000 1.067 48 I CB 1.626 39.623 38.000 -0.005 0.000 1.233 48 I HN -0.110 nan 8.210 nan 0.000 0.431 49 N N 7.386 126.054 118.700 -0.053 0.000 2.354 49 N HA 0.524 5.264 4.740 0.000 0.000 0.287 49 N C -0.748 174.718 175.510 -0.074 0.000 1.016 49 N CA -0.601 52.413 53.050 -0.061 0.000 0.871 49 N CB 2.803 41.254 38.487 -0.061 0.000 1.299 49 N HN 0.381 nan 8.380 nan 0.000 0.482 50 L N 1.812 122.975 121.223 -0.099 0.000 2.436 50 L HA 0.196 4.536 4.340 0.000 0.000 0.265 50 L C 1.519 178.358 176.870 -0.052 0.000 1.168 50 L CA -0.218 54.562 54.840 -0.100 0.000 0.815 50 L CB 0.641 42.613 42.059 -0.145 0.000 1.109 50 L HN 0.330 nan 8.230 nan 0.000 0.462 51 K N 1.494 121.873 120.400 -0.036 0.000 2.262 51 K HA 0.247 4.567 4.320 0.000 0.000 0.200 51 K C -0.040 176.556 176.600 -0.006 0.000 1.049 51 K CA 0.553 56.831 56.287 -0.016 0.000 0.979 51 K CB 0.089 32.586 32.500 -0.004 0.000 0.773 51 K HN 0.539 nan 8.250 nan 0.000 0.474 52 I N -3.279 117.288 120.570 -0.005 0.000 2.686 52 I HA 0.410 4.580 4.170 0.000 0.000 0.295 52 I C -2.454 173.676 176.117 0.021 0.000 1.114 52 I CA -2.530 58.778 61.300 0.014 0.000 1.038 52 I CB 2.786 40.803 38.000 0.028 0.000 1.238 52 I HN -0.226 nan 8.210 nan 0.000 0.420 53 P HA 0.192 nan 4.420 nan 0.000 0.258 53 P C -0.679 176.701 177.300 0.132 0.000 1.559 53 P CA 0.282 63.440 63.100 0.095 0.000 0.855 53 P CB -0.140 31.617 31.700 0.096 0.000 1.594 54 L N 0.518 121.812 121.223 0.119 0.000 2.346 54 L HA 0.599 4.939 4.340 0.000 0.000 0.276 54 L C 0.256 177.243 176.870 0.194 0.000 1.006 54 L CA -1.229 53.729 54.840 0.197 0.000 0.817 54 L CB 2.464 44.680 42.059 0.262 0.000 1.272 54 L HN -0.204 nan 8.230 nan 0.000 0.421 55 V N -0.465 119.601 119.914 0.253 0.000 2.789 55 V HA 0.709 4.830 4.120 0.000 0.000 0.311 55 V C -0.007 176.189 176.094 0.170 0.000 1.073 55 V CA -0.639 61.764 62.300 0.173 0.000 0.921 55 V CB 1.803 33.815 31.823 0.314 0.000 1.009 55 V HN 0.818 nan 8.190 nan 0.000 0.426 56 S N 3.451 119.090 115.700 -0.100 0.000 2.562 56 S HA 0.812 5.283 4.470 0.000 0.000 0.275 56 S C 0.481 175.164 174.600 0.139 0.000 1.281 56 S CA -0.051 58.068 58.200 -0.135 0.000 1.045 56 S CB 1.253 64.134 63.200 -0.532 0.000 0.962 56 S HN 2.173 nan 8.310 nan 0.000 0.503 57 A N 2.699 125.627 122.820 0.180 0.000 2.507 57 A HA 0.329 4.650 4.320 0.000 0.000 0.235 57 A C 0.675 178.347 177.584 0.146 0.000 1.070 57 A CA -0.537 51.592 52.037 0.154 0.000 0.768 57 A CB -0.478 18.609 19.000 0.144 0.000 1.011 57 A HN 0.918 nan 8.150 nan 0.000 0.502 58 I N 1.988 122.636 120.570 0.129 0.000 2.280 58 I HA 0.076 4.246 4.170 0.000 0.000 0.287 58 I C -0.184 176.000 176.117 0.112 0.000 1.121 58 I CA 0.670 62.064 61.300 0.157 0.000 1.798 58 I CB -1.220 36.848 38.000 0.115 0.000 1.489 58 I HN 0.499 nan 8.210 nan 0.000 0.805 59 M N 1.676 121.316 119.600 0.066 0.000 2.518 59 M HA 0.309 4.789 4.480 0.000 0.000 0.300 59 M C 0.687 176.749 176.300 -0.396 0.000 1.175 59 M CA -0.583 54.646 55.300 -0.119 0.000 0.890 59 M CB 2.585 35.086 32.600 -0.165 0.000 1.710 59 M HN 0.190 nan 8.290 nan 0.000 0.453 60 Q N 0.328 119.684 119.800 -0.739 0.000 2.181 60 Q HA -0.118 4.222 4.340 0.000 0.000 0.205 60 Q C 1.469 176.912 176.000 -0.927 0.000 0.980 60 Q CA 1.884 56.853 55.803 -1.389 0.000 0.862 60 Q CB -0.174 28.154 28.738 -0.684 0.000 0.905 60 Q HN 0.854 nan 8.270 nan 0.000 0.429 61 S N -1.258 113.872 115.700 -0.949 0.000 2.634 61 S HA 0.166 4.636 4.470 0.000 0.000 0.221 61 S C 1.261 175.643 174.600 -0.363 0.000 0.952 61 S CA -0.191 57.468 58.200 -0.901 0.000 0.930 61 S CB 0.606 62.881 63.200 -1.542 0.000 0.780 61 S HN 0.081 nan 8.310 nan 0.000 0.498 62 V N -0.123 119.648 119.914 -0.238 0.000 3.278 62 V HA 0.270 4.390 4.120 0.000 0.000 0.215 62 V C 0.540 176.639 176.094 0.007 0.000 1.287 62 V CA 0.204 62.477 62.300 -0.046 0.000 1.302 62 V CB -0.147 31.701 31.823 0.042 0.000 1.228 62 V HN 0.364 nan 8.190 nan 0.000 0.523 63 S N 1.803 117.537 115.700 0.057 0.000 2.835 63 S HA 0.624 5.094 4.470 0.000 0.000 0.286 63 S C 0.307 175.049 174.600 0.236 0.000 1.194 63 S CA 0.081 58.350 58.200 0.115 0.000 1.031 63 S CB 0.408 63.686 63.200 0.131 0.000 1.216 63 S HN 0.600 nan 8.310 nan 0.000 0.502 64 G N 1.480 110.374 108.800 0.157 0.000 2.795 64 G HA2 0.397 4.357 3.960 0.000 0.000 0.267 64 G HA3 0.397 4.357 3.960 0.000 0.000 0.267 64 G C 0.480 175.406 174.900 0.044 0.000 1.362 64 G CA -0.692 44.517 45.100 0.182 0.000 1.048 64 G HN 0.509 nan 8.290 nan 0.000 0.547 65 E N -0.085 120.128 120.200 0.022 0.000 2.031 65 E HA -0.140 4.210 4.350 0.000 0.000 0.193 65 E C 2.239 178.777 176.600 -0.103 0.000 0.994 65 E CA 1.106 57.483 56.400 -0.039 0.000 0.800 65 E CB -0.045 29.648 29.700 -0.011 0.000 0.752 65 E HN 0.394 nan 8.360 nan 0.000 0.447 66 K N 0.203 120.559 120.400 -0.074 0.000 2.097 66 K HA -0.147 4.173 4.320 0.000 0.000 0.206 66 K C 2.169 178.695 176.600 -0.124 0.000 1.049 66 K CA 1.354 57.572 56.287 -0.115 0.000 0.933 66 K CB -0.154 32.322 32.500 -0.041 0.000 0.717 66 K HN 0.047 nan 8.250 nan 0.000 0.442 67 M N 1.178 120.735 119.600 -0.070 0.000 2.086 67 M HA -0.099 4.382 4.480 0.000 0.000 0.261 67 M C 2.041 178.242 176.300 -0.166 0.000 1.067 67 M CA 1.716 56.970 55.300 -0.078 0.000 1.116 67 M CB -0.422 32.153 32.600 -0.041 0.000 1.348 67 M HN 0.114 nan 8.290 nan 0.000 0.407 68 A N 0.008 122.727 122.820 -0.168 0.000 1.908 68 A HA -0.147 4.174 4.320 0.000 0.000 0.218 68 A C 2.219 179.622 177.584 -0.302 0.000 1.181 68 A CA 2.110 54.020 52.037 -0.211 0.000 0.627 68 A CB -1.139 17.762 19.000 -0.165 0.000 0.818 68 A HN 0.620 nan 8.150 nan 0.000 0.445 69 I N -0.551 119.798 120.570 -0.368 0.000 2.233 69 I HA -0.213 3.957 4.170 0.000 0.000 0.243 69 I C 2.978 178.753 176.117 -0.570 0.000 1.093 69 I CA 0.956 61.891 61.300 -0.607 0.000 1.380 69 I CB -0.341 37.234 38.000 -0.709 0.000 1.067 69 I HN 0.339 nan 8.210 nan 0.000 0.413 70 A N 0.578 123.183 122.820 -0.359 0.000 1.908 70 A HA -0.219 4.101 4.320 0.000 0.000 0.218 70 A C 2.226 179.677 177.584 -0.222 0.000 1.181 70 A CA 1.629 53.514 52.037 -0.254 0.000 0.627 70 A CB -0.729 18.180 19.000 -0.153 0.000 0.818 70 A HN 0.380 nan 8.150 nan 0.000 0.445 71 L N -0.560 120.532 121.223 -0.218 0.000 2.095 71 L HA 0.122 4.462 4.340 0.000 0.000 0.204 71 L C 2.652 179.412 176.870 -0.183 0.000 1.080 71 L CA 1.940 56.677 54.840 -0.171 0.000 0.759 71 L CB -0.939 40.972 42.059 -0.246 0.000 0.914 71 L HN 0.321 nan 8.230 nan 0.000 0.439 72 A N -0.371 122.289 122.820 -0.267 0.000 1.933 72 A HA -0.223 4.097 4.320 0.000 0.000 0.218 72 A C 2.397 179.870 177.584 -0.185 0.000 1.175 72 A CA 1.678 53.580 52.037 -0.226 0.000 0.628 72 A CB -0.556 18.276 19.000 -0.279 0.000 0.814 72 A HN 0.485 nan 8.150 nan 0.000 0.444 73 R N -0.492 119.816 120.500 -0.320 0.000 2.152 73 R HA -0.091 4.249 4.340 0.000 0.000 0.232 73 R C 1.167 177.434 176.300 -0.056 0.000 1.117 73 R CA 1.279 57.285 56.100 -0.156 0.000 0.981 73 R CB -0.077 30.096 30.300 -0.211 0.000 0.870 73 R HN 0.457 nan 8.270 nan 0.000 0.451 74 E N -1.172 118.984 120.200 -0.074 0.000 2.479 74 E HA 0.088 4.438 4.350 0.000 0.000 0.193 74 E C 1.085 177.679 176.600 -0.009 0.000 1.049 74 E CA 0.658 57.038 56.400 -0.034 0.000 0.870 74 E CB 1.145 30.828 29.700 -0.027 0.000 0.944 74 E HN 0.520 nan 8.360 nan 0.000 0.492 75 G N 0.416 109.206 108.800 -0.017 0.000 2.192 75 G HA2 -0.175 3.785 3.960 0.000 0.000 0.193 75 G HA3 -0.175 3.785 3.960 0.000 0.000 0.193 75 G C 0.643 175.524 174.900 -0.033 0.000 0.999 75 G CA -0.128 44.966 45.100 -0.011 0.000 0.659 75 G HN 0.527 nan 8.290 nan 0.000 0.503 76 G N -0.813 107.961 108.800 -0.043 0.000 2.671 76 G HA2 0.766 4.726 3.960 0.000 0.000 0.275 76 G HA3 0.766 4.726 3.960 0.000 0.000 0.275 76 G C -0.604 174.221 174.900 -0.125 0.000 1.368 76 G CA -0.367 44.696 45.100 -0.061 0.000 1.044 76 G HN 0.934 nan 8.290 nan 0.000 0.543 77 I N -1.116 119.359 120.570 -0.159 0.000 2.802 77 I HA 0.499 4.669 4.170 0.000 0.000 0.298 77 I C -0.705 175.263 176.117 -0.249 0.000 1.176 77 I CA -0.627 60.532 61.300 -0.236 0.000 1.025 77 I CB 2.320 40.134 38.000 -0.311 0.000 1.243 77 I HN 0.454 nan 8.210 nan 0.000 0.424 78 S N 5.006 120.530 115.700 -0.294 0.000 2.537 78 S HA 0.600 5.070 4.470 0.000 0.000 0.301 78 S C -1.012 173.416 174.600 -0.287 0.000 1.092 78 S CA -0.313 57.762 58.200 -0.208 0.000 1.048 78 S CB 1.236 64.328 63.200 -0.181 0.000 1.053 78 S HN 0.342 nan 8.310 nan 0.000 0.501 79 F N 2.558 122.497 119.950 -0.019 0.000 2.311 79 F HA 0.390 4.917 4.527 0.000 0.000 0.371 79 F C 0.239 176.056 175.800 0.029 0.000 1.083 79 F CA -0.895 57.120 58.000 0.025 0.000 1.113 79 F CB 0.414 39.462 39.000 0.080 0.000 1.349 79 F HN 0.330 nan 8.300 nan 0.000 0.470 80 I N 4.652 125.262 120.570 0.067 0.000 2.906 80 I HA -0.197 3.973 4.170 0.000 0.000 0.301 80 I C 0.527 176.654 176.117 0.015 0.000 1.221 80 I CA 0.063 61.364 61.300 0.002 0.000 1.435 80 I CB -0.953 36.971 38.000 -0.127 0.000 1.345 80 I HN 0.337 nan 8.210 nan 0.000 0.558 81 F N 4.072 124.022 119.950 -0.001 0.000 2.607 81 F HA 0.395 4.922 4.527 0.001 0.000 0.374 81 F C 1.287 177.037 175.800 -0.083 0.000 1.104 81 F CA -0.867 57.113 58.000 -0.033 0.000 1.296 81 F CB -0.177 38.784 39.000 -0.065 0.000 1.085 81 F HN 0.517 nan 8.300 nan 0.000 0.584 82 G N 0.966 109.762 108.800 -0.006 0.000 3.088 82 G HA2 0.032 3.992 3.960 0.000 0.000 0.217 82 G HA3 0.032 3.992 3.960 0.000 0.000 0.217 82 G C 0.397 175.128 174.900 -0.282 0.000 1.159 82 G CA 0.236 45.253 45.100 -0.139 0.000 0.760 82 G HN 0.829 nan 8.290 nan 0.000 0.550 83 S N 0.514 116.087 115.700 -0.211 0.000 3.811 83 S HA 0.428 4.899 4.470 0.000 0.000 0.205 83 S C 0.174 174.076 174.600 -1.164 0.000 1.445 83 S CA -0.570 57.222 58.200 -0.680 0.000 1.097 83 S CB -0.510 62.540 63.200 -0.251 0.000 1.350 83 S HN 0.703 nan 8.310 nan 0.000 0.471 84 Q N -0.767 118.213 119.800 -1.366 0.000 2.738 84 Q HA 0.504 4.844 4.340 0.000 0.000 0.301 84 Q C -0.932 174.684 176.000 -0.640 0.000 0.901 84 Q CA -1.157 54.125 55.803 -0.868 0.000 0.756 84 Q CB 0.367 28.935 28.738 -0.283 0.000 1.463 84 Q HN 0.315 nan 8.270 nan 0.000 0.432 85 S N -0.104 115.580 115.700 -0.027 0.000 2.568 85 S HA 0.137 4.608 4.470 0.000 0.000 0.282 85 S C 1.190 175.797 174.600 0.011 0.000 1.338 85 S CA -0.384 57.914 58.200 0.164 0.000 1.045 85 S CB 0.044 63.349 63.200 0.174 0.000 0.873 85 S HN 0.615 nan 8.310 nan 0.000 0.516 86 I N 1.676 122.282 120.570 0.060 0.000 2.264 86 I HA -0.202 3.969 4.170 0.000 0.000 0.248 86 I C 2.541 178.657 176.117 -0.001 0.000 1.111 86 I CA 1.627 62.938 61.300 0.019 0.000 1.382 86 I CB -0.522 37.506 38.000 0.048 0.000 1.060 86 I HN 0.781 nan 8.210 nan 0.000 0.418 87 E N 0.530 120.740 120.200 0.015 0.000 2.152 87 E HA -0.110 4.240 4.350 0.000 0.000 0.192 87 E C 2.075 178.666 176.600 -0.015 0.000 0.983 87 E CA 1.085 57.488 56.400 0.004 0.000 0.818 87 E CB -0.530 29.180 29.700 0.016 0.000 0.758 87 E HN 0.358 nan 8.360 nan 0.000 0.467 88 S N 1.318 117.003 115.700 -0.024 0.000 2.371 88 S HA -0.160 4.310 4.470 0.000 0.000 0.224 88 S C 2.004 176.535 174.600 -0.115 0.000 1.029 88 S CA 1.241 59.412 58.200 -0.049 0.000 0.978 88 S CB -0.171 63.006 63.200 -0.038 0.000 0.833 88 S HN 0.386 nan 8.310 nan 0.000 0.466 89 Q N 1.076 120.776 119.800 -0.167 0.000 2.079 89 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 89 Q C 2.194 178.123 176.000 -0.118 0.000 0.974 89 Q CA 1.367 57.034 55.803 -0.227 0.000 0.840 89 Q CB -0.349 28.245 28.738 -0.239 0.000 0.898 89 Q HN 0.527 nan 8.270 nan 0.000 0.430 90 A N 0.839 123.623 122.820 -0.060 0.000 1.902 90 A HA -0.138 4.182 4.320 0.000 0.000 0.217 90 A C 2.298 179.892 177.584 0.017 0.000 1.181 90 A CA 1.702 53.733 52.037 -0.010 0.000 0.623 90 A CB -1.020 17.983 19.000 0.004 0.000 0.818 90 A HN 0.575 nan 8.150 nan 0.000 0.443 91 A N -0.453 122.364 122.820 -0.004 0.000 1.883 91 A HA -0.172 4.149 4.320 0.000 0.000 0.217 91 A C 2.280 179.897 177.584 0.055 0.000 1.186 91 A CA 1.931 53.981 52.037 0.022 0.000 0.624 91 A CB -0.572 18.428 19.000 0.001 0.000 0.822 91 A HN 0.542 nan 8.150 nan 0.000 0.444 92 M N -0.830 118.768 119.600 -0.005 0.000 2.086 92 M HA -0.146 4.335 4.480 0.000 0.000 0.261 92 M C 2.151 178.453 176.300 0.004 0.000 1.067 92 M CA 1.504 56.796 55.300 -0.013 0.000 1.116 92 M CB -0.521 32.025 32.600 -0.091 0.000 1.348 92 M HN 0.268 nan 8.290 nan 0.000 0.407 93 V N -0.404 119.506 119.914 -0.006 0.000 2.295 93 V HA -0.315 3.805 4.120 0.000 0.000 0.246 93 V C 2.500 178.620 176.094 0.043 0.000 1.049 93 V CA 2.059 64.359 62.300 -0.000 0.000 1.024 93 V CB -1.108 30.712 31.823 -0.005 0.000 0.648 93 V HN 0.533 nan 8.190 nan 0.000 0.447 94 H N 0.587 119.656 119.070 -0.002 0.000 2.353 94 H HA -0.131 4.425 4.556 0.001 0.000 0.300 94 H C 2.236 177.590 175.328 0.044 0.000 1.090 94 H CA 1.889 57.948 56.048 0.018 0.000 1.327 94 H CB 0.047 29.818 29.762 0.016 0.000 1.383 94 H HN 0.391 nan 8.280 nan 0.000 0.508 95 A N 0.469 123.390 122.820 0.169 0.000 1.933 95 A HA -0.088 4.232 4.320 0.000 0.000 0.218 95 A C 2.848 180.506 177.584 0.124 0.000 1.175 95 A CA 1.521 53.653 52.037 0.158 0.000 0.628 95 A CB -0.752 18.340 19.000 0.152 0.000 0.814 95 A HN 0.305 nan 8.150 nan 0.000 0.444 96 V N 0.248 120.198 119.914 0.060 0.000 2.323 96 V HA -0.169 3.951 4.120 0.000 0.000 0.244 96 V C 2.377 178.531 176.094 0.100 0.000 1.041 96 V CA 1.909 64.245 62.300 0.060 0.000 1.025 96 V CB -0.517 31.300 31.823 -0.011 0.000 0.656 96 V HN 0.388 nan 8.190 nan 0.000 0.451 97 K N 0.636 121.036 120.400 0.000 0.000 2.211 97 K HA -0.058 4.263 4.320 0.000 0.000 0.203 97 K C 1.071 177.625 176.600 -0.077 0.000 1.050 97 K CA 1.095 57.355 56.287 -0.045 0.000 0.945 97 K CB -0.545 31.894 32.500 -0.101 0.000 0.732 97 K HN 0.579 nan 8.250 nan 0.000 0.451 98 N N -0.151 118.485 118.700 -0.106 0.000 2.389 98 N HA 0.068 4.808 4.740 0.000 0.000 0.260 98 N C 0.412 175.944 175.510 0.037 0.000 1.191 98 N CA -0.264 52.726 53.050 -0.100 0.000 0.885 98 N CB 0.130 38.466 38.487 -0.253 0.000 1.162 98 N HN -0.052 nan 8.380 nan 0.000 0.512 99 F N 1.776 121.710 119.950 -0.027 0.000 2.259 99 F HA 0.059 4.586 4.527 0.000 0.000 0.298 99 F C 1.549 177.352 175.800 0.005 0.000 1.088 99 F CA 1.198 59.217 58.000 0.033 0.000 1.358 99 F CB 0.310 39.397 39.000 0.146 0.000 1.040 99 F HN -0.127 nan 8.300 nan 0.000 0.505 100 K N 0.541 120.905 120.400 -0.060 0.000 2.458 100 K HA 0.259 4.579 4.320 0.000 0.000 0.194 100 K C 0.904 177.415 176.600 -0.148 0.000 1.024 100 K CA 0.145 56.338 56.287 -0.157 0.000 1.108 100 K CB -0.158 32.254 32.500 -0.147 0.000 0.846 100 K HN 0.204 nan 8.250 nan 0.000 0.518 223 N N 0.700 119.491 118.700 0.151 0.000 2.380 223 N HA 0.046 4.786 4.740 0.000 0.000 0.255 223 N C -0.853 174.705 175.510 0.080 0.000 1.158 223 N CA -0.306 52.792 53.050 0.080 0.000 0.878 223 N CB 0.447 38.959 38.487 0.042 0.000 1.138 223 N HN 0.441 nan 8.380 nan 0.000 0.509 224 E N 0.119 120.401 120.200 0.137 0.000 2.413 224 E HA 0.024 4.375 4.350 0.000 0.000 0.263 224 E C -0.471 176.196 176.600 0.112 0.000 1.015 224 E CA -0.420 56.076 56.400 0.160 0.000 0.916 224 E CB 0.869 30.747 29.700 0.297 0.000 0.947 224 E HN -0.009 nan 8.360 nan 0.000 0.440 225 L N 4.917 126.201 121.223 0.101 0.000 2.255 225 L HA 0.313 4.654 4.340 0.000 0.000 0.289 225 L C -0.759 176.166 176.870 0.092 0.000 1.046 225 L CA -0.477 54.395 54.840 0.052 0.000 0.816 225 L CB 0.899 42.953 42.059 -0.007 0.000 1.197 225 L HN 0.596 nan 8.230 nan 0.000 0.427 226 V N 1.326 121.267 119.914 0.045 0.000 3.160 226 V HA 0.804 4.925 4.120 0.000 0.000 0.310 226 V C -0.726 175.358 176.094 -0.016 0.000 1.181 226 V CA -0.860 61.451 62.300 0.017 0.000 1.047 226 V CB 1.858 33.666 31.823 -0.024 0.000 1.068 226 V HN 0.725 nan 8.190 nan 0.000 0.441 227 D N 0.296 120.678 120.400 -0.030 0.000 0.000 227 D HA 0.339 4.979 4.640 0.000 0.000 0.000 227 D C 1.325 177.603 176.300 -0.037 0.000 0.000 227 D CA 0.108 54.089 54.000 -0.032 0.000 0.000 227 D CB 0.803 41.583 40.800 -0.032 0.000 0.000 227 D HN 0.837 nan 8.370 nan 0.000 0.000 228 S N -1.480 114.201 115.700 -0.032 0.000 2.493 228 S HA -0.228 4.243 4.470 0.000 0.000 0.243 228 S C 1.112 175.689 174.600 -0.039 0.000 0.991 228 S CA 0.826 59.006 58.200 -0.032 0.000 0.957 228 S CB -0.668 62.517 63.200 -0.024 0.000 0.756 228 S HN 0.568 nan 8.310 nan 0.000 0.521 229 Q N 0.172 119.945 119.800 -0.046 0.000 2.220 229 Q HA 0.254 4.594 4.340 0.000 0.000 0.205 229 Q C -0.228 175.727 176.000 -0.076 0.000 0.865 229 Q CA -0.347 55.424 55.803 -0.054 0.000 0.960 229 Q CB 0.257 28.965 28.738 -0.051 0.000 1.097 229 Q HN 0.252 nan 8.270 nan 0.000 0.493 230 K N -0.196 120.155 120.400 -0.081 0.000 3.407 230 K HA -0.172 4.148 4.320 0.000 0.000 0.312 230 K C -0.551 175.940 176.600 -0.181 0.000 1.302 230 K CA 0.874 57.093 56.287 -0.113 0.000 0.931 230 K CB -1.465 30.968 32.500 -0.112 0.000 1.257 230 K HN 0.355 nan 8.250 nan 0.000 0.454 231 R N 0.434 120.845 120.500 -0.148 0.000 2.410 231 R HA 0.273 4.614 4.340 0.000 0.000 0.288 231 R C 0.084 176.313 176.300 -0.119 0.000 1.051 231 R CA -0.766 55.226 56.100 -0.180 0.000 1.021 231 R CB 0.330 30.569 30.300 -0.102 0.000 1.032 231 R HN -0.110 nan 8.270 nan 0.000 0.481 232 Y N 1.801 122.093 120.300 -0.012 0.000 2.712 232 Y HA -0.080 4.470 4.550 0.000 0.000 0.333 232 Y C 0.671 176.530 175.900 -0.069 0.000 1.225 232 Y CA 0.175 58.252 58.100 -0.038 0.000 1.499 232 Y CB 0.041 38.474 38.460 -0.045 0.000 1.288 232 Y HN 0.299 nan 8.280 nan 0.000 0.575 233 L N 3.128 124.405 121.223 0.091 0.000 2.436 233 L HA 0.543 4.884 4.340 0.000 0.000 0.265 233 L C -0.161 176.660 176.870 -0.081 0.000 1.168 233 L CA -0.249 54.577 54.840 -0.023 0.000 0.815 233 L CB 1.186 43.208 42.059 -0.061 0.000 1.109 233 L HN 0.524 nan 8.230 nan 0.000 0.462 234 V N 1.778 121.613 119.914 -0.132 0.000 3.048 234 V HA 0.878 4.999 4.120 0.000 0.000 0.303 234 V C -0.291 175.637 176.094 -0.275 0.000 1.214 234 V CA -0.084 62.097 62.300 -0.198 0.000 0.984 234 V CB 2.109 33.857 31.823 -0.124 0.000 1.054 234 V HN 0.801 nan 8.190 nan 0.000 0.430 235 G N 2.958 111.485 108.800 -0.455 0.000 2.597 235 G HA2 0.944 4.905 3.960 0.000 0.000 0.317 235 G HA3 0.944 4.905 3.960 0.000 0.000 0.317 235 G C -0.839 173.945 174.900 -0.193 0.000 1.230 235 G CA -0.296 44.471 45.100 -0.555 0.000 0.996 235 G HN 1.651 nan 8.290 nan 0.000 0.490 236 A N -0.725 122.139 122.820 0.072 0.000 2.459 236 A HA 0.789 5.109 4.320 0.000 0.000 0.296 236 A C 0.063 177.793 177.584 0.243 0.000 1.039 236 A CA 0.008 52.122 52.037 0.127 0.000 0.698 236 A CB 1.439 20.458 19.000 0.032 0.000 1.261 236 A HN 1.575 nan 8.150 nan 0.000 0.405 237 G N 0.927 109.845 108.800 0.198 0.000 2.444 237 G HA2 0.605 4.565 3.960 0.000 0.000 0.268 237 G HA3 0.605 4.565 3.960 0.000 0.000 0.268 237 G C -0.008 174.943 174.900 0.085 0.000 1.203 237 G CA -0.057 45.134 45.100 0.152 0.000 0.835 237 G HN 1.485 nan 8.290 nan 0.000 0.543 238 I N -1.077 119.540 120.570 0.078 0.000 3.042 238 I HA 0.737 4.908 4.170 0.000 0.000 0.310 238 I C -0.889 175.277 176.117 0.080 0.000 1.117 238 I CA -1.552 59.797 61.300 0.081 0.000 1.003 238 I CB 2.811 40.871 38.000 0.100 0.000 1.228 238 I HN 0.577 nan 8.210 nan 0.000 0.443 239 N N -0.619 118.149 118.700 0.113 0.000 2.457 239 N HA 0.438 5.179 4.740 0.000 0.000 0.290 239 N C 0.258 175.872 175.510 0.173 0.000 1.232 239 N CA -0.219 52.900 53.050 0.115 0.000 0.852 239 N CB 1.352 39.910 38.487 0.118 0.000 1.313 239 N HN 0.710 nan 8.380 nan 0.000 0.522 240 T N -3.176 111.463 114.554 0.141 0.000 3.194 240 T HA 0.206 4.556 4.350 0.000 0.000 0.251 240 T C 0.814 175.710 174.700 0.327 0.000 1.132 240 T CA 0.237 62.471 62.100 0.224 0.000 1.028 240 T CB -0.340 68.622 68.868 0.157 0.000 0.976 240 T HN 0.440 nan 8.240 nan 0.000 0.535 241 R N 1.597 122.207 120.500 0.183 0.000 2.076 241 R HA 0.135 4.475 4.340 0.000 0.000 0.203 241 R C 0.989 177.206 176.300 -0.139 0.000 1.229 241 R CA 1.004 57.104 56.100 -0.000 0.000 1.094 241 R CB -0.238 30.021 30.300 -0.067 0.000 0.991 241 R HN 0.489 nan 8.270 nan 0.000 0.471 242 D N 1.436 121.792 120.400 -0.073 0.000 2.491 242 D HA -0.030 4.610 4.640 0.000 0.000 0.228 242 D C 1.178 177.358 176.300 -0.199 0.000 1.183 242 D CA -0.390 53.508 54.000 -0.171 0.000 0.827 242 D CB -0.453 40.326 40.800 -0.034 0.000 0.989 242 D HN 0.251 nan 8.370 nan 0.000 0.494 243 F N 0.349 120.213 119.950 -0.144 0.000 2.269 243 F HA 0.095 4.622 4.527 0.001 0.000 0.301 243 F C 1.906 177.480 175.800 -0.377 0.000 1.082 243 F CA 0.277 58.167 58.000 -0.183 0.000 1.360 243 F CB -0.514 38.395 39.000 -0.152 0.000 1.041 243 F HN -0.143 nan 8.300 nan 0.000 0.512 244 R N 0.324 120.205 120.500 -1.032 0.000 2.152 244 R HA -0.099 4.241 4.340 0.000 0.000 0.232 244 R C 1.586 177.737 176.300 -0.249 0.000 1.117 244 R CA 1.585 57.113 56.100 -0.954 0.000 0.981 244 R CB -0.305 29.451 30.300 -0.906 0.000 0.870 244 R HN 0.326 nan 8.270 nan 0.000 0.451 245 E N -0.512 119.580 120.200 -0.180 0.000 2.244 245 E HA 0.055 4.405 4.350 0.000 0.000 0.196 245 E C 1.728 178.352 176.600 0.039 0.000 0.939 245 E CA 0.389 56.773 56.400 -0.026 0.000 0.884 245 E CB 0.129 29.804 29.700 -0.042 0.000 0.850 245 E HN 0.090 nan 8.360 nan 0.000 0.481 246 R N 0.323 120.841 120.500 0.030 0.000 2.073 246 R HA -0.047 4.293 4.340 0.000 0.000 0.229 246 R C 1.897 178.268 176.300 0.118 0.000 1.120 246 R CA 1.049 57.191 56.100 0.071 0.000 0.967 246 R CB -0.172 30.170 30.300 0.070 0.000 0.862 246 R HN 0.032 nan 8.270 nan 0.000 0.436 247 V N 1.664 121.690 119.914 0.186 0.000 2.233 247 V HA -0.189 3.931 4.120 0.000 0.000 0.247 247 V C -0.855 175.380 176.094 0.235 0.000 1.050 247 V CA 2.063 64.511 62.300 0.247 0.000 1.010 247 V CB -1.183 30.917 31.823 0.462 0.000 0.637 247 V HN 0.320 nan 8.190 nan 0.000 0.444 248 P HA -0.217 nan 4.420 nan 0.000 0.216 248 P C 1.675 179.080 177.300 0.176 0.000 1.154 248 P CA 2.252 65.543 63.100 0.317 0.000 0.865 248 P CB -0.187 31.710 31.700 0.327 0.000 0.789 249 A N -1.224 121.675 122.820 0.133 0.000 1.902 249 A HA -0.168 4.152 4.320 0.000 0.000 0.217 249 A C 2.030 179.654 177.584 0.067 0.000 1.181 249 A CA 1.455 53.543 52.037 0.085 0.000 0.623 249 A CB -1.531 17.507 19.000 0.063 0.000 0.818 249 A HN 0.067 nan 8.150 nan 0.000 0.443 250 L N -0.491 120.770 121.223 0.063 0.000 2.056 250 L HA -0.094 4.246 4.340 0.000 0.000 0.207 250 L C 2.628 179.510 176.870 0.021 0.000 1.078 250 L CA 1.312 56.173 54.840 0.036 0.000 0.749 250 L CB -0.976 41.104 42.059 0.034 0.000 0.901 250 L HN 0.209 nan 8.230 nan 0.000 0.433 251 V N -0.770 119.149 119.914 0.009 0.000 2.261 251 V HA -0.264 3.856 4.120 0.000 0.000 0.246 251 V C 2.523 178.630 176.094 0.023 0.000 1.047 251 V CA 1.508 63.787 62.300 -0.034 0.000 1.015 251 V CB -0.440 31.309 31.823 -0.123 0.000 0.642 251 V HN 0.331 nan 8.190 nan 0.000 0.446 252 E N 0.372 120.611 120.200 0.064 0.000 2.118 252 E HA -0.182 4.169 4.350 0.000 0.000 0.195 252 E C 2.140 178.790 176.600 0.083 0.000 0.992 252 E CA 1.476 57.922 56.400 0.077 0.000 0.804 252 E CB -0.537 29.215 29.700 0.086 0.000 0.741 252 E HN 0.588 nan 8.360 nan 0.000 0.458 253 A N -0.943 121.926 122.820 0.081 0.000 2.119 253 A HA 0.217 4.538 4.320 0.000 0.000 0.217 253 A C 1.728 179.364 177.584 0.087 0.000 1.153 253 A CA 1.232 53.341 52.037 0.121 0.000 0.692 253 A CB -0.339 18.719 19.000 0.098 0.000 0.799 253 A HN 0.356 nan 8.150 nan 0.000 0.458 254 G N -2.399 106.424 108.800 0.039 0.000 2.138 254 G HA2 0.184 4.145 3.960 0.000 0.000 0.193 254 G HA3 0.184 4.145 3.960 0.000 0.000 0.193 254 G C 0.314 175.204 174.900 -0.016 0.000 0.998 254 G CA 0.093 45.196 45.100 0.005 0.000 0.668 254 G HN 1.532 nan 8.290 nan 0.000 0.516 255 A N 0.305 123.115 122.820 -0.017 0.000 2.546 255 A HA 0.475 4.796 4.320 0.000 0.000 0.243 255 A C 1.246 178.806 177.584 -0.040 0.000 1.063 255 A CA 0.961 52.978 52.037 -0.034 0.000 0.757 255 A CB 0.249 19.235 19.000 -0.023 0.000 0.991 255 A HN 0.302 nan 8.150 nan 0.000 0.503 256 D N 0.551 120.918 120.400 -0.056 0.000 2.234 256 D HA 0.069 4.709 4.640 0.000 0.000 0.205 256 D C 0.358 176.646 176.300 -0.020 0.000 0.962 256 D CA 1.463 55.436 54.000 -0.045 0.000 0.855 256 D CB 0.479 41.242 40.800 -0.062 0.000 0.951 256 D HN 0.341 nan 8.370 nan 0.000 0.500 257 V N 0.497 120.402 119.914 -0.015 0.000 3.077 257 V HA 0.363 4.484 4.120 0.000 0.000 0.299 257 V C -1.767 174.421 176.094 0.156 0.000 1.276 257 V CA -0.779 61.574 62.300 0.088 0.000 0.993 257 V CB 2.370 34.290 31.823 0.161 0.000 1.076 257 V HN -0.135 nan 8.190 nan 0.000 0.434 258 L N 4.193 125.543 121.223 0.212 0.000 2.286 258 L HA 0.868 5.208 4.340 0.000 0.000 0.265 258 L C -0.767 176.257 176.870 0.256 0.000 1.012 258 L CA -0.704 54.271 54.840 0.225 0.000 0.818 258 L CB 2.027 44.149 42.059 0.105 0.000 1.337 258 L HN 0.785 nan 8.230 nan 0.000 0.438 259 C N 1.672 121.076 119.300 0.173 0.000 2.832 259 C HA 0.460 4.920 4.460 0.000 0.000 0.383 259 C C -0.389 174.579 174.990 -0.036 0.000 1.046 259 C CA -0.563 58.436 59.018 -0.031 0.000 1.242 259 C CB 0.420 28.085 27.740 -0.126 0.000 1.693 259 C HN 0.648 nan 8.230 nan 0.000 0.497 260 I N 4.569 125.086 120.570 -0.089 0.000 2.517 260 I HA 0.148 4.318 4.170 0.000 0.000 0.285 260 I C 0.129 176.227 176.117 -0.033 0.000 1.106 260 I CA 0.745 62.020 61.300 -0.042 0.000 1.402 260 I CB 0.419 38.386 38.000 -0.054 0.000 1.399 260 I HN 0.612 nan 8.210 nan 0.000 0.535 261 D N 5.860 126.263 120.400 0.006 0.000 2.359 261 D HA 0.376 5.016 4.640 0.000 0.000 0.230 261 D C -0.691 175.626 176.300 0.030 0.000 1.118 261 D CA 0.140 54.149 54.000 0.015 0.000 0.844 261 D CB 0.909 41.731 40.800 0.036 0.000 1.059 261 D HN 0.445 nan 8.370 nan 0.000 0.493 262 S N 1.602 117.317 115.700 0.026 0.000 2.547 262 S HA 0.311 4.781 4.470 0.000 0.000 0.270 262 S C 0.832 175.455 174.600 0.038 0.000 1.150 262 S CA -0.152 58.071 58.200 0.039 0.000 0.850 262 S CB 1.007 64.237 63.200 0.050 0.000 1.118 262 S HN 0.325 nan 8.310 nan 0.000 0.461 263 S N 1.557 117.283 115.700 0.043 0.000 2.461 263 S HA 0.100 4.570 4.470 0.000 0.000 0.228 263 S C 0.227 174.856 174.600 0.048 0.000 1.005 263 S CA 1.031 59.256 58.200 0.041 0.000 0.942 263 S CB -0.272 62.953 63.200 0.042 0.000 0.776 263 S HN 0.713 nan 8.310 nan 0.000 0.514 264 D N 0.173 120.611 120.400 0.063 0.000 2.330 264 D HA 0.436 5.076 4.640 0.000 0.000 0.249 264 D C 0.645 177.013 176.300 0.112 0.000 1.306 264 D CA -0.276 53.775 54.000 0.085 0.000 0.956 264 D CB 0.829 41.676 40.800 0.079 0.000 1.261 264 D HN 0.083 nan 8.370 nan 0.000 0.544 265 G N 1.836 110.700 108.800 0.106 0.000 2.744 265 G HA2 -0.090 3.870 3.960 0.000 0.000 0.211 265 G HA3 -0.090 3.870 3.960 0.000 0.000 0.211 265 G C 0.502 175.518 174.900 0.192 0.000 1.143 265 G CA -0.171 44.997 45.100 0.113 0.000 0.788 265 G HN 0.423 nan 8.290 nan 0.000 0.534 266 F N 2.725 122.681 119.950 0.009 0.000 2.662 266 F HA 0.535 5.063 4.527 0.000 0.000 0.365 266 F C 0.413 176.146 175.800 -0.113 0.000 1.222 266 F CA -1.405 56.559 58.000 -0.060 0.000 1.315 266 F CB -0.454 38.496 39.000 -0.084 0.000 1.711 266 F HN -0.019 nan 8.300 nan 0.000 0.651 267 S N 1.588 117.430 115.700 0.236 0.000 2.541 267 S HA 0.233 4.703 4.470 0.000 0.000 0.280 267 S C 0.940 175.657 174.600 0.196 0.000 1.112 267 S CA -0.629 57.661 58.200 0.150 0.000 0.925 267 S CB 1.410 64.764 63.200 0.257 0.000 1.067 267 S HN 0.585 nan 8.310 nan 0.000 0.479 268 E N 2.373 122.587 120.200 0.025 0.000 2.204 268 E HA -0.129 4.221 4.350 0.000 0.000 0.195 268 E C 0.575 177.149 176.600 -0.044 0.000 0.990 268 E CA 1.430 57.835 56.400 0.009 0.000 0.821 268 E CB -0.034 29.536 29.700 -0.217 0.000 0.750 268 E HN 0.874 nan 8.360 nan 0.000 0.477 269 W N 1.030 122.388 121.300 0.098 0.000 2.363 269 W HA -0.154 4.506 4.660 0.000 0.000 0.296 269 W C 2.460 178.996 176.519 0.028 0.000 1.212 269 W CA 0.709 58.097 57.345 0.071 0.000 1.260 269 W CB -0.053 29.448 29.460 0.068 0.000 1.131 269 W HN 0.136 nan 8.180 nan 0.000 0.530 270 Q N 0.528 120.479 119.800 0.251 0.000 2.123 270 Q HA -0.181 4.159 4.340 0.000 0.000 0.199 270 Q C 2.068 178.089 176.000 0.034 0.000 0.966 270 Q CA 1.247 57.116 55.803 0.111 0.000 0.845 270 Q CB -0.476 28.330 28.738 0.114 0.000 0.907 270 Q HN 0.400 nan 8.270 nan 0.000 0.439 271 K N 1.237 121.684 120.400 0.078 0.000 2.026 271 K HA -0.134 4.186 4.320 0.000 0.000 0.208 271 K C 2.034 178.619 176.600 -0.025 0.000 1.048 271 K CA 0.972 57.241 56.287 -0.030 0.000 0.929 271 K CB -0.075 32.408 32.500 -0.027 0.000 0.713 271 K HN 0.094 nan 8.250 nan 0.000 0.439 272 I N 0.782 121.359 120.570 0.012 0.000 2.179 272 I HA -0.270 3.900 4.170 0.000 0.000 0.242 272 I C 2.173 178.272 176.117 -0.031 0.000 1.088 272 I CA 1.492 62.816 61.300 0.040 0.000 1.357 272 I CB -0.459 37.600 38.000 0.098 0.000 1.051 272 I HN 0.269 nan 8.210 nan 0.000 0.409 273 T N 1.243 115.665 114.554 -0.221 0.000 2.708 273 T HA -0.130 4.221 4.350 0.000 0.000 0.266 273 T C 1.924 176.464 174.700 -0.267 0.000 1.037 273 T CA 1.445 63.142 62.100 -0.672 0.000 1.146 273 T CB -0.276 68.191 68.868 -0.668 0.000 0.865 273 T HN 0.242 nan 8.240 nan 0.000 0.435 274 I N 1.121 121.614 120.570 -0.128 0.000 2.226 274 I HA -0.098 4.073 4.170 0.000 0.000 0.245 274 I C 2.911 179.037 176.117 0.015 0.000 1.100 274 I CA 1.238 62.507 61.300 -0.051 0.000 1.374 274 I CB -0.782 37.168 38.000 -0.083 0.000 1.057 274 I HN 0.315 nan 8.210 nan 0.000 0.413 275 G N 0.094 108.905 108.800 0.018 0.000 2.440 275 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 275 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 275 G C 1.447 176.420 174.900 0.122 0.000 1.154 275 G CA 0.482 45.612 45.100 0.051 0.000 0.767 275 G HN 0.518 nan 8.290 nan 0.000 0.552 276 W N 1.093 122.399 121.300 0.010 0.000 2.381 276 W HA 0.035 4.695 4.660 0.000 0.000 0.301 276 W C 2.316 178.903 176.519 0.114 0.000 1.205 276 W CA 1.132 58.538 57.345 0.102 0.000 1.285 276 W CB -0.088 29.526 29.460 0.256 0.000 1.133 276 W HN 0.168 nan 8.180 nan 0.000 0.521 277 I N 0.595 121.373 120.570 0.347 0.000 2.252 277 I HA -0.304 3.866 4.170 0.000 0.000 0.245 277 I C 2.524 178.707 176.117 0.110 0.000 1.102 277 I CA 1.107 62.579 61.300 0.287 0.000 1.385 277 I CB -0.578 37.597 38.000 0.292 0.000 1.064 277 I HN -0.102 nan 8.210 nan 0.000 0.414 278 R N 0.579 121.109 120.500 0.050 0.000 2.115 278 R HA -0.158 4.182 4.340 0.000 0.000 0.230 278 R C 1.986 178.252 176.300 -0.057 0.000 1.111 278 R CA 1.038 57.146 56.100 0.013 0.000 0.976 278 R CB -0.528 29.775 30.300 0.006 0.000 0.870 278 R HN 0.507 nan 8.270 nan 0.000 0.445 279 E N 0.816 120.938 120.200 -0.129 0.000 2.208 279 E HA -0.146 4.205 4.350 0.000 0.000 0.193 279 E C 1.774 178.187 176.600 -0.312 0.000 0.988 279 E CA 0.948 57.233 56.400 -0.192 0.000 0.828 279 E CB 0.219 29.803 29.700 -0.193 0.000 0.763 279 E HN 0.147 nan 8.360 nan 0.000 0.478 280 K N -1.219 118.888 120.400 -0.487 0.000 2.348 280 K HA -0.001 4.319 4.320 0.000 0.000 0.194 280 K C 0.449 176.641 176.600 -0.680 0.000 1.052 280 K CA 0.342 56.205 56.287 -0.708 0.000 1.004 280 K CB 0.392 32.172 32.500 -1.201 0.000 0.873 280 K HN 0.107 nan 8.250 nan 0.000 0.523 281 Y N -0.559 119.644 120.300 -0.162 0.000 2.563 281 Y HA 0.295 4.846 4.550 0.000 0.000 0.250 281 Y C 0.955 176.826 175.900 -0.047 0.000 1.126 281 Y CA -0.040 58.013 58.100 -0.078 0.000 1.231 281 Y CB 1.161 39.596 38.460 -0.042 0.000 1.288 281 Y HN 0.227 nan 8.280 nan 0.000 0.537 282 G N 1.018 109.857 108.800 0.065 0.000 2.566 282 G HA2 -0.321 3.639 3.960 0.000 0.000 0.280 282 G HA3 -0.321 3.639 3.960 0.000 0.000 0.280 282 G C 0.296 175.238 174.900 0.070 0.000 1.225 282 G CA 0.490 45.617 45.100 0.045 0.000 0.966 282 G HN 0.290 nan 8.290 nan 0.000 0.560 283 D N 0.956 121.392 120.400 0.060 0.000 2.336 283 D HA 0.123 4.763 4.640 0.000 0.000 0.228 283 D C 1.929 178.268 176.300 0.066 0.000 1.120 283 D CA 0.099 54.136 54.000 0.062 0.000 0.839 283 D CB 0.253 41.088 40.800 0.060 0.000 0.932 283 D HN 0.248 nan 8.370 nan 0.000 0.509 284 K N 0.053 120.498 120.400 0.074 0.000 2.305 284 K HA 0.081 4.402 4.320 0.000 0.000 0.199 284 K C 0.660 177.275 176.600 0.026 0.000 1.047 284 K CA 0.230 56.553 56.287 0.060 0.000 0.976 284 K CB 0.714 33.262 32.500 0.080 0.000 0.765 284 K HN 0.014 nan 8.250 nan 0.000 0.474 285 V N 3.575 123.497 119.914 0.013 0.000 2.370 285 V HA 0.159 4.279 4.120 0.000 0.000 0.283 285 V C -0.083 176.016 176.094 0.008 0.000 1.023 285 V CA -0.943 61.324 62.300 -0.056 0.000 0.857 285 V CB 1.597 33.290 31.823 -0.217 0.000 0.985 285 V HN -0.024 nan 8.190 nan 0.000 0.443 286 K N 3.694 124.112 120.400 0.030 0.000 2.201 286 K HA 0.613 4.933 4.320 0.000 0.000 0.278 286 K C -0.645 175.996 176.600 0.068 0.000 1.027 286 K CA -0.370 55.961 56.287 0.074 0.000 0.909 286 K CB 2.096 34.671 32.500 0.126 0.000 1.062 286 K HN 0.441 nan 8.250 nan 0.000 0.465 287 V N 1.500 121.426 119.914 0.020 0.000 2.569 287 V HA 0.606 4.727 4.120 0.000 0.000 0.301 287 V C -0.265 175.667 176.094 -0.270 0.000 1.044 287 V CA -0.512 61.753 62.300 -0.059 0.000 0.874 287 V CB 1.750 33.547 31.823 -0.043 0.000 1.002 287 V HN 0.834 nan 8.190 nan 0.000 0.424 288 G N 4.504 112.951 108.800 -0.588 0.000 2.451 288 G HA2 0.830 4.790 3.960 0.000 0.000 0.303 288 G HA3 0.830 4.790 3.960 0.000 0.000 0.303 288 G C -0.362 174.123 174.900 -0.692 0.000 1.166 288 G CA 0.014 44.289 45.100 -1.375 0.000 0.884 288 G HN 1.554 nan 8.290 nan 0.000 0.514 289 A N -0.721 121.774 122.820 -0.542 0.000 2.527 289 A HA 1.065 5.385 4.320 0.000 0.000 0.293 289 A C 0.202 177.683 177.584 -0.171 0.000 1.117 289 A CA 0.061 51.937 52.037 -0.268 0.000 0.723 289 A CB 1.730 20.607 19.000 -0.204 0.000 1.313 289 A HN 2.440 nan 8.150 nan 0.000 0.411 290 G N -0.035 108.714 108.800 -0.086 0.000 2.362 290 G HA2 0.352 4.313 3.960 0.000 0.000 0.288 290 G HA3 0.352 4.313 3.960 0.000 0.000 0.288 290 G C -1.802 173.097 174.900 -0.001 0.000 1.305 290 G CA -0.871 44.207 45.100 -0.036 0.000 0.910 290 G HN 0.870 nan 8.290 nan 0.000 0.518 291 N N -0.510 118.199 118.700 0.015 0.000 2.508 291 N HA 0.779 5.520 4.740 0.000 0.000 0.285 291 N C 0.022 175.543 175.510 0.019 0.000 1.144 291 N CA -0.166 52.890 53.050 0.010 0.000 0.978 291 N CB 1.473 39.967 38.487 0.010 0.000 1.180 291 N HN 0.877 nan 8.380 nan 0.000 0.484 292 I N -2.624 117.948 120.570 0.002 0.000 3.145 292 I HA 0.586 4.757 4.170 0.000 0.000 0.313 292 I C 0.400 176.514 176.117 -0.005 0.000 1.122 292 I CA -1.005 60.295 61.300 -0.000 0.000 0.987 292 I CB 1.443 39.403 38.000 -0.067 0.000 1.236 292 I HN 0.275 nan 8.210 nan 0.000 0.453 293 V N -1.877 118.037 119.914 -0.001 0.000 3.372 293 V HA 0.511 4.631 4.120 0.000 0.000 0.304 293 V C -0.731 175.348 176.094 -0.024 0.000 1.530 293 V CA 0.352 62.638 62.300 -0.023 0.000 1.080 293 V CB -0.612 31.190 31.823 -0.035 0.000 0.929 293 V HN 1.002 nan 8.190 nan 0.000 0.455 294 D N -0.749 119.651 120.400 0.001 0.000 2.626 294 D HA 0.430 5.071 4.640 0.000 0.000 0.278 294 D C 1.244 177.559 176.300 0.025 0.000 1.211 294 D CA 0.139 54.151 54.000 0.020 0.000 0.903 294 D CB 1.281 42.128 40.800 0.079 0.000 1.408 294 D HN 0.007 nan 8.370 nan 0.000 0.454 295 G N -0.150 108.675 108.800 0.041 0.000 2.442 295 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 295 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 295 G C 1.044 175.995 174.900 0.086 0.000 1.141 295 G CA 0.899 46.036 45.100 0.061 0.000 0.763 295 G HN 0.620 nan 8.290 nan 0.000 0.554 296 E N 0.081 120.319 120.200 0.063 0.000 2.051 296 E HA -0.065 4.285 4.350 0.000 0.000 0.192 296 E C 2.817 179.209 176.600 -0.346 0.000 0.991 296 E CA 0.698 57.119 56.400 0.036 0.000 0.799 296 E CB -0.358 29.484 29.700 0.236 0.000 0.748 296 E HN 0.396 nan 8.360 nan 0.000 0.449 297 G N 0.953 109.395 108.800 -0.596 0.000 2.418 297 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 297 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 297 G C 1.385 175.968 174.900 -0.530 0.000 1.158 297 G CA 0.560 44.963 45.100 -1.162 0.000 0.771 297 G HN 0.251 nan 8.290 nan 0.000 0.545 298 F N 1.936 121.677 119.950 -0.348 0.000 2.075 298 F HA -0.077 4.451 4.527 0.001 0.000 0.297 298 F C 2.705 178.325 175.800 -0.299 0.000 1.113 298 F CA 1.953 59.790 58.000 -0.271 0.000 1.218 298 F CB -0.201 38.670 39.000 -0.214 0.000 0.984 298 F HN 0.131 nan 8.300 nan 0.000 0.472 299 R N -0.506 119.871 120.500 -0.204 0.000 2.091 299 R HA -0.275 4.065 4.340 0.000 0.000 0.238 299 R C 2.241 178.367 176.300 -0.290 0.000 1.136 299 R CA 2.215 58.171 56.100 -0.240 0.000 0.959 299 R CB -1.584 28.749 30.300 0.055 0.000 0.856 299 R HN 0.522 nan 8.270 nan 0.000 0.437 300 Y N 0.411 120.500 120.300 -0.350 0.000 2.181 300 Y HA -0.117 4.433 4.550 0.000 0.000 0.288 300 Y C 1.710 177.440 175.900 -0.282 0.000 1.146 300 Y CA 1.937 59.890 58.100 -0.244 0.000 1.164 300 Y CB -0.090 38.240 38.460 -0.217 0.000 0.982 300 Y HN 0.079 nan 8.280 nan 0.000 0.515 301 L N -0.794 120.220 121.223 -0.348 0.000 2.217 301 L HA -0.104 4.237 4.340 0.000 0.000 0.211 301 L C 2.671 179.237 176.870 -0.508 0.000 1.107 301 L CA 0.767 55.374 54.840 -0.389 0.000 0.783 301 L CB -0.815 41.058 42.059 -0.309 0.000 0.919 301 L HN 0.310 nan 8.230 nan 0.000 0.442 302 A N 0.129 122.509 122.820 -0.733 0.000 1.855 302 A HA -0.208 4.113 4.320 0.000 0.000 0.215 302 A C 1.901 179.241 177.584 -0.407 0.000 1.191 302 A CA 1.779 53.348 52.037 -0.780 0.000 0.613 302 A CB -0.479 17.625 19.000 -1.493 0.000 0.829 302 A HN 0.298 nan 8.150 nan 0.000 0.442 303 D N 0.155 120.359 120.400 -0.327 0.000 2.218 303 D HA -0.042 4.598 4.640 0.000 0.000 0.204 303 D C 2.003 178.175 176.300 -0.212 0.000 0.976 303 D CA 1.329 55.240 54.000 -0.148 0.000 0.853 303 D CB -0.303 40.426 40.800 -0.117 0.000 0.939 303 D HN 0.441 nan 8.370 nan 0.000 0.481 304 A N -0.325 122.292 122.820 -0.339 0.000 2.119 304 A HA 0.288 4.608 4.320 0.000 0.000 0.217 304 A C 1.863 179.334 177.584 -0.189 0.000 1.153 304 A CA 1.558 53.412 52.037 -0.306 0.000 0.692 304 A CB -0.084 18.674 19.000 -0.403 0.000 0.799 304 A HN 0.300 nan 8.150 nan 0.000 0.458 305 G N -2.558 106.136 108.800 -0.177 0.000 2.168 305 G HA2 0.193 4.153 3.960 0.000 0.000 0.197 305 G HA3 0.193 4.153 3.960 0.000 0.000 0.197 305 G C 0.401 175.232 174.900 -0.115 0.000 0.997 305 G CA 0.118 45.152 45.100 -0.110 0.000 0.658 305 G HN 1.526 nan 8.290 nan 0.000 0.513 306 A N 0.328 123.040 122.820 -0.180 0.000 2.561 306 A HA 0.446 4.766 4.320 0.000 0.000 0.234 306 A C 1.191 178.705 177.584 -0.117 0.000 1.055 306 A CA 1.098 53.023 52.037 -0.187 0.000 0.756 306 A CB 0.249 19.092 19.000 -0.262 0.000 0.986 306 A HN 0.245 nan 8.150 nan 0.000 0.505 307 D N 0.053 120.407 120.400 -0.077 0.000 2.333 307 D HA 0.175 4.815 4.640 0.000 0.000 0.208 307 D C -0.166 176.272 176.300 0.231 0.000 0.984 307 D CA 1.394 55.441 54.000 0.077 0.000 0.873 307 D CB 0.053 40.932 40.800 0.133 0.000 0.935 307 D HN 0.568 nan 8.370 nan 0.000 0.521 308 F N -0.685 119.307 119.950 0.069 0.000 2.688 308 F HA 0.488 5.016 4.527 0.000 0.000 0.308 308 F C -2.030 173.781 175.800 0.019 0.000 1.117 308 F CA -1.407 56.655 58.000 0.103 0.000 0.976 308 F CB 0.656 39.831 39.000 0.292 0.000 1.291 308 F HN -0.368 nan 8.300 nan 0.000 0.439 309 I N 2.921 123.649 120.570 0.264 0.000 2.433 309 I HA 0.403 4.574 4.170 0.000 0.000 0.292 309 I C -0.666 175.546 176.117 0.157 0.000 1.001 309 I CA -0.896 60.456 61.300 0.086 0.000 1.119 309 I CB 2.135 40.141 38.000 0.011 0.000 1.289 309 I HN 0.653 nan 8.210 nan 0.000 0.438 310 K N 6.514 126.972 120.400 0.097 0.000 2.227 310 K HA 0.586 4.906 4.320 0.000 0.000 0.280 310 K C -0.964 175.640 176.600 0.007 0.000 1.041 310 K CA -0.314 56.012 56.287 0.065 0.000 0.905 310 K CB 0.877 33.428 32.500 0.084 0.000 1.068 310 K HN 0.469 nan 8.250 nan 0.000 0.470 311 I N 3.018 123.574 120.570 -0.023 0.000 2.359 311 I HA 0.516 4.686 4.170 0.000 0.000 0.294 311 I C 0.097 176.197 176.117 -0.029 0.000 0.987 311 I CA -0.414 60.868 61.300 -0.029 0.000 1.225 311 I CB 1.864 39.835 38.000 -0.048 0.000 1.366 311 I HN 0.800 nan 8.210 nan 0.000 0.466 312 G N 6.668 115.451 108.800 -0.029 0.000 2.873 312 G HA2 0.150 4.110 3.960 0.000 0.000 0.507 312 G HA3 0.150 4.110 3.960 0.000 0.000 0.507 312 G C -1.254 173.635 174.900 -0.019 0.000 1.440 312 G CA -0.926 44.154 45.100 -0.034 0.000 1.016 312 G HN 0.497 nan 8.290 nan 0.000 0.615 313 I N 2.413 122.967 120.570 -0.027 0.000 2.529 313 I HA 0.580 4.750 4.170 0.000 0.000 0.284 313 I C 1.052 177.155 176.117 -0.024 0.000 1.088 313 I CA 0.336 61.629 61.300 -0.012 0.000 1.062 313 I CB 1.623 39.623 38.000 -0.001 0.000 1.218 313 I HN 1.794 nan 8.210 nan 0.000 0.442 314 G N 3.983 112.774 108.800 -0.015 0.000 2.308 314 G HA2 -0.250 3.710 3.960 0.000 0.000 0.221 314 G HA3 -0.250 3.710 3.960 0.000 0.000 0.221 314 G C 1.060 175.944 174.900 -0.027 0.000 1.032 314 G CA 0.226 45.315 45.100 -0.018 0.000 0.623 314 G HN 0.816 nan 8.290 nan 0.000 0.506 315 G N 1.406 110.180 108.800 -0.044 0.000 2.442 315 G HA2 0.340 4.300 3.960 0.000 0.000 0.219 315 G HA3 0.340 4.300 3.960 0.000 0.000 0.219 315 G C 1.439 176.330 174.900 -0.015 0.000 1.141 315 G CA 1.395 46.464 45.100 -0.052 0.000 0.763 315 G HN 1.729 nan 8.290 nan 0.000 0.554 316 G N 0.054 108.858 108.800 0.007 0.000 2.765 316 G HA2 0.183 4.144 3.960 0.000 0.000 0.230 316 G HA3 0.183 4.144 3.960 0.000 0.000 0.230 316 G C 1.417 176.341 174.900 0.040 0.000 1.238 316 G CA 0.801 45.922 45.100 0.035 0.000 0.854 316 G HN 0.728 nan 8.290 nan 0.000 0.579 317 S N 0.632 116.373 115.700 0.067 0.000 2.357 317 S HA -0.153 4.317 4.470 0.000 0.000 0.221 317 S C 1.799 176.452 174.600 0.088 0.000 1.031 317 S CA 1.356 59.596 58.200 0.066 0.000 0.982 317 S CB -0.245 62.991 63.200 0.060 0.000 0.853 317 S HN 0.834 nan 8.310 nan 0.000 0.458 318 I N 0.856 121.504 120.570 0.130 0.000 3.699 318 I HA 0.408 4.578 4.170 0.000 0.000 0.306 318 I C 0.265 176.388 176.117 0.011 0.000 1.320 318 I CA -1.585 59.753 61.300 0.063 0.000 1.220 318 I CB -1.523 36.465 38.000 -0.019 0.000 1.075 318 I HN 0.296 nan 8.210 nan 0.000 0.437 319 C N 2.737 122.048 119.300 0.019 0.000 2.298 319 C HA 0.609 5.069 4.460 0.000 0.000 0.323 319 C C 0.376 175.367 174.990 0.002 0.000 1.284 319 C CA -0.656 58.365 59.018 0.005 0.000 1.577 319 C CB 0.364 28.109 27.740 0.009 0.000 2.249 319 C HN 0.436 nan 8.230 nan 0.000 0.497 320 I N 7.182 127.749 120.570 -0.005 0.000 3.010 320 I HA 0.135 4.305 4.170 0.000 0.000 0.330 320 I C 1.705 177.834 176.117 0.019 0.000 1.334 320 I CA 0.040 61.340 61.300 0.001 0.000 0.945 320 I CB -0.811 37.178 38.000 -0.017 0.000 2.027 320 I HN 0.741 nan 8.210 nan 0.000 0.564 321 T N 1.703 116.268 114.554 0.019 0.000 2.602 321 T HA -0.327 4.023 4.350 0.000 0.000 0.264 321 T C 2.067 176.794 174.700 0.045 0.000 1.085 321 T CA 2.234 64.350 62.100 0.028 0.000 1.164 321 T CB -0.093 68.781 68.868 0.009 0.000 0.860 321 T HN 0.322 nan 8.240 nan 0.000 0.442 322 R N 1.223 121.745 120.500 0.036 0.000 2.103 322 R HA -0.043 4.298 4.340 0.000 0.000 0.234 322 R C 1.826 178.173 176.300 0.078 0.000 1.132 322 R CA 1.329 57.455 56.100 0.044 0.000 0.925 322 R CB -0.604 29.716 30.300 0.033 0.000 0.842 322 R HN 0.328 nan 8.270 nan 0.000 0.430 323 E N 0.452 120.706 120.200 0.089 0.000 2.975 323 E HA -0.034 4.316 4.350 0.000 0.000 0.301 323 E C -0.060 176.713 176.600 0.289 0.000 1.554 323 E CA 0.148 56.642 56.400 0.158 0.000 1.716 323 E CB -0.100 29.658 29.700 0.096 0.000 1.365 323 E HN 0.183 nan 8.360 nan 0.000 0.469 324 Q N 0.327 120.301 119.800 0.289 0.000 1.853 324 Q HA 0.320 4.660 4.340 0.000 0.000 0.217 324 Q C 0.221 176.336 176.000 0.192 0.000 0.539 324 Q CA 0.112 56.143 55.803 0.381 0.000 0.634 324 Q CB 0.279 29.139 28.738 0.204 0.000 1.627 324 Q HN 0.100 nan 8.270 nan 0.000 0.174 325 K N -0.807 119.660 120.400 0.112 0.000 2.391 325 K HA 0.400 4.721 4.320 0.000 0.000 0.197 325 K C -0.012 176.603 176.600 0.025 0.000 1.087 325 K CA 0.534 56.847 56.287 0.043 0.000 1.012 325 K CB 1.068 33.593 32.500 0.040 0.000 0.925 325 K HN 0.659 nan 8.250 nan 0.000 0.547 326 G N 2.987 111.809 108.800 0.036 0.000 2.149 326 G HA2 -0.227 3.733 3.960 0.000 0.000 0.235 326 G HA3 -0.227 3.733 3.960 0.000 0.000 0.235 326 G C 0.048 174.954 174.900 0.010 0.000 1.018 326 G CA 0.435 45.547 45.100 0.020 0.000 0.728 326 G HN 0.404 nan 8.290 nan 0.000 0.508 327 I N -2.520 118.057 120.570 0.012 0.000 2.562 327 I HA 0.964 5.134 4.170 0.000 0.000 0.301 327 I C 0.613 176.728 176.117 -0.003 0.000 1.003 327 I CA -0.529 60.774 61.300 0.005 0.000 1.127 327 I CB 2.210 40.217 38.000 0.012 0.000 1.304 327 I HN 1.102 nan 8.210 nan 0.000 0.446 328 G N 3.852 112.641 108.800 -0.017 0.000 2.356 328 G HA2 0.366 4.326 3.960 0.000 0.000 0.288 328 G HA3 0.366 4.326 3.960 0.000 0.000 0.288 328 G C -1.785 173.076 174.900 -0.065 0.000 1.302 328 G CA -1.043 44.037 45.100 -0.034 0.000 0.887 328 G HN 0.941 nan 8.290 nan 0.000 0.521 329 R N -0.957 119.491 120.500 -0.086 0.000 2.725 329 R HA 0.524 4.865 4.340 0.000 0.000 0.254 329 R C 0.274 176.491 176.300 -0.138 0.000 1.076 329 R CA -0.170 55.855 56.100 -0.124 0.000 0.940 329 R CB 1.160 31.377 30.300 -0.139 0.000 1.260 329 R HN 1.679 nan 8.270 nan 0.000 0.466 330 G N 1.894 110.602 108.800 -0.152 0.000 2.265 330 G HA2 -0.120 3.840 3.960 0.000 0.000 0.240 330 G HA3 -0.120 3.840 3.960 0.000 0.000 0.240 330 G C 0.562 175.318 174.900 -0.239 0.000 1.270 330 G CA 0.020 45.017 45.100 -0.173 0.000 0.901 330 G HN 0.712 nan 8.290 nan 0.000 0.507 331 Q N 2.537 122.116 119.800 -0.368 0.000 2.096 331 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 331 Q C 2.711 178.348 176.000 -0.606 0.000 0.982 331 Q CA 2.578 58.069 55.803 -0.519 0.000 0.850 331 Q CB -0.346 27.936 28.738 -0.761 0.000 0.901 331 Q HN 0.714 nan 8.270 nan 0.000 0.422 332 A N -0.913 121.484 122.820 -0.706 0.000 1.858 332 A HA -0.194 4.126 4.320 0.000 0.000 0.216 332 A C 2.315 179.801 177.584 -0.163 0.000 1.190 332 A CA 2.048 53.851 52.037 -0.391 0.000 0.617 332 A CB -1.147 17.749 19.000 -0.174 0.000 0.827 332 A HN 0.489 nan 8.150 nan 0.000 0.443 333 T N 0.404 114.909 114.554 -0.082 0.000 2.720 333 T HA -0.043 4.307 4.350 0.000 0.000 0.268 333 T C 2.189 176.838 174.700 -0.086 0.000 1.037 333 T CA 1.623 63.700 62.100 -0.037 0.000 1.144 333 T CB -0.477 68.367 68.868 -0.040 0.000 0.864 333 T HN 0.607 nan 8.240 nan 0.000 0.444 334 A N 0.998 123.742 122.820 -0.126 0.000 1.877 334 A HA -0.058 4.262 4.320 0.000 0.000 0.216 334 A C 2.606 180.132 177.584 -0.095 0.000 1.186 334 A CA 1.487 53.458 52.037 -0.110 0.000 0.620 334 A CB -1.054 17.874 19.000 -0.120 0.000 0.822 334 A HN 0.351 nan 8.150 nan 0.000 0.443 335 V N 0.263 120.118 119.914 -0.098 0.000 2.295 335 V HA -0.272 3.848 4.120 0.000 0.000 0.246 335 V C 2.441 178.485 176.094 -0.083 0.000 1.049 335 V CA 2.051 64.308 62.300 -0.072 0.000 1.024 335 V CB -0.719 31.102 31.823 -0.004 0.000 0.648 335 V HN 0.570 nan 8.190 nan 0.000 0.447 336 I N 0.426 120.950 120.570 -0.076 0.000 2.208 336 I HA -0.270 3.900 4.170 0.000 0.000 0.245 336 I C 2.354 178.431 176.117 -0.067 0.000 1.097 336 I CA 2.136 63.395 61.300 -0.069 0.000 1.363 336 I CB -0.410 37.557 38.000 -0.056 0.000 1.051 336 I HN 0.401 nan 8.210 nan 0.000 0.413 337 D N 0.481 120.844 120.400 -0.062 0.000 2.123 337 D HA -0.125 4.516 4.640 0.000 0.000 0.200 337 D C 2.160 178.398 176.300 -0.104 0.000 0.976 337 D CA 1.073 55.041 54.000 -0.053 0.000 0.831 337 D CB 0.110 40.894 40.800 -0.028 0.000 0.974 337 D HN 0.055 nan 8.370 nan 0.000 0.469 338 V N -0.076 119.756 119.914 -0.137 0.000 2.358 338 V HA -0.176 3.945 4.120 0.000 0.000 0.246 338 V C 2.625 178.476 176.094 -0.405 0.000 1.047 338 V CA 1.123 63.276 62.300 -0.244 0.000 1.035 338 V CB -0.288 31.433 31.823 -0.170 0.000 0.658 338 V HN 0.138 nan 8.190 nan 0.000 0.452 339 V N 0.342 120.095 119.914 -0.268 0.000 2.407 339 V HA -0.261 3.859 4.120 0.000 0.000 0.248 339 V C 2.676 178.636 176.094 -0.224 0.000 1.055 339 V CA 2.031 64.179 62.300 -0.254 0.000 1.049 339 V CB -1.001 30.737 31.823 -0.141 0.000 0.662 339 V HN 0.568 nan 8.190 nan 0.000 0.455 340 A N -0.292 122.434 122.820 -0.157 0.000 1.930 340 A HA -0.227 4.094 4.320 0.000 0.000 0.217 340 A C 2.184 179.699 177.584 -0.116 0.000 1.175 340 A CA 1.927 53.907 52.037 -0.094 0.000 0.627 340 A CB -0.436 18.536 19.000 -0.047 0.000 0.815 340 A HN 0.539 nan 8.150 nan 0.000 0.443 341 E N -0.081 120.000 120.200 -0.199 0.000 2.072 341 E HA -0.161 4.189 4.350 0.000 0.000 0.191 341 E C 2.221 178.645 176.600 -0.293 0.000 0.985 341 E CA 1.123 57.415 56.400 -0.180 0.000 0.801 341 E CB -0.234 29.361 29.700 -0.175 0.000 0.750 341 E HN 0.402 nan 8.360 nan 0.000 0.452 342 R N 0.559 120.615 120.500 -0.739 0.000 2.081 342 R HA -0.104 4.236 4.340 0.000 0.000 0.235 342 R C 1.385 177.618 176.300 -0.112 0.000 1.131 342 R CA 1.557 57.227 56.100 -0.716 0.000 0.960 342 R CB -0.553 29.204 30.300 -0.904 0.000 0.856 342 R HN 0.218 nan 8.270 nan 0.000 0.436 343 N N 1.046 119.701 118.700 -0.076 0.000 2.244 343 N HA -0.142 4.598 4.740 0.000 0.000 0.183 343 N C 1.638 177.252 175.510 0.172 0.000 1.016 343 N CA 1.012 54.122 53.050 0.099 0.000 0.866 343 N CB -0.202 38.324 38.487 0.064 0.000 0.980 343 N HN 0.316 nan 8.380 nan 0.000 0.430 344 K N -0.217 120.248 120.400 0.109 0.000 2.057 344 K HA -0.142 4.178 4.320 0.000 0.000 0.206 344 K C 1.984 178.684 176.600 0.167 0.000 1.050 344 K CA 0.831 57.188 56.287 0.116 0.000 0.935 344 K CB -0.207 32.347 32.500 0.090 0.000 0.715 344 K HN 0.090 nan 8.250 nan 0.000 0.439 345 Y N 0.281 120.643 120.300 0.104 0.000 2.181 345 Y HA -0.251 4.300 4.550 0.000 0.000 0.288 345 Y C 1.908 177.897 175.900 0.148 0.000 1.146 345 Y CA 1.792 59.981 58.100 0.149 0.000 1.164 345 Y CB -0.323 38.310 38.460 0.289 0.000 0.982 345 Y HN 0.158 nan 8.280 nan 0.000 0.515 346 F N 1.101 121.146 119.950 0.160 0.000 2.134 346 F HA -0.174 4.353 4.527 0.000 0.000 0.299 346 F C 2.138 177.951 175.800 0.021 0.000 1.097 346 F CA 1.890 59.946 58.000 0.092 0.000 1.264 346 F CB -0.377 38.715 39.000 0.153 0.000 1.001 346 F HN 0.003 nan 8.300 nan 0.000 0.479 347 E N 0.649 120.811 120.200 -0.065 0.000 2.106 347 E HA -0.188 4.162 4.350 0.000 0.000 0.192 347 E C 2.065 178.545 176.600 -0.200 0.000 0.984 347 E CA 1.590 57.886 56.400 -0.174 0.000 0.806 347 E CB -0.396 29.294 29.700 -0.017 0.000 0.750 347 E HN 0.656 nan 8.360 nan 0.000 0.458 348 E N -0.198 119.899 120.200 -0.172 0.000 2.112 348 E HA -0.071 4.279 4.350 0.000 0.000 0.190 348 E C 1.857 178.307 176.600 -0.251 0.000 0.979 348 E CA 1.562 57.850 56.400 -0.187 0.000 0.814 348 E CB 0.015 29.610 29.700 -0.176 0.000 0.762 348 E HN 0.268 nan 8.360 nan 0.000 0.460 349 T N -3.773 110.574 114.554 -0.345 0.000 2.985 349 T HA 0.335 4.685 4.350 0.000 0.000 0.254 349 T C 1.549 176.104 174.700 -0.243 0.000 1.021 349 T CA 0.341 62.251 62.100 -0.316 0.000 0.957 349 T CB 0.925 69.511 68.868 -0.470 0.000 1.047 349 T HN 0.269 nan 8.240 nan 0.000 0.511 350 G N 1.759 110.347 108.800 -0.353 0.000 2.162 350 G HA2 -0.205 3.756 3.960 0.000 0.000 0.260 350 G HA3 -0.205 3.756 3.960 0.000 0.000 0.260 350 G C -0.018 174.862 174.900 -0.034 0.000 0.976 350 G CA 0.244 45.115 45.100 -0.382 0.000 0.655 350 G HN 0.681 nan 8.290 nan 0.000 0.533 351 I N 0.355 120.987 120.570 0.104 0.000 2.321 351 I HA 0.410 4.580 4.170 0.000 0.000 0.291 351 I C -0.053 176.356 176.117 0.487 0.000 0.998 351 I CA -1.169 60.294 61.300 0.273 0.000 1.227 351 I CB 1.171 39.304 38.000 0.222 0.000 1.368 351 I HN 0.117 nan 8.210 nan 0.000 0.466 352 Y N 7.852 128.200 120.300 0.079 0.000 2.353 352 Y HA 0.538 5.088 4.550 0.000 0.000 0.340 352 Y C -0.392 175.372 175.900 -0.226 0.000 0.972 352 Y CA -0.519 57.427 58.100 -0.258 0.000 1.157 352 Y CB 0.722 38.572 38.460 -1.016 0.000 1.157 352 Y HN 0.384 nan 8.280 nan 0.000 0.495 353 I N 9.790 130.124 120.570 -0.393 0.000 2.330 353 I HA 0.315 4.486 4.170 0.000 0.000 0.289 353 I C -2.342 173.616 176.117 -0.264 0.000 1.001 353 I CA -2.279 58.923 61.300 -0.163 0.000 1.193 353 I CB 1.270 39.279 38.000 0.015 0.000 1.345 353 I HN 0.497 nan 8.210 nan 0.000 0.461 354 P HA 0.058 nan 4.420 nan 0.000 0.268 354 P C -0.710 176.650 177.300 0.101 0.000 1.205 354 P CA -0.130 63.065 63.100 0.158 0.000 0.771 354 P CB 0.778 32.757 31.700 0.465 0.000 0.858 355 V N 0.973 120.845 119.914 -0.070 0.000 2.715 355 V HA 0.639 4.759 4.120 0.000 0.000 0.310 355 V C -0.738 175.047 176.094 -0.515 0.000 1.054 355 V CA -0.964 61.243 62.300 -0.155 0.000 0.928 355 V CB 1.715 33.467 31.823 -0.119 0.000 1.007 355 V HN 0.697 nan 8.190 nan 0.000 0.437 356 C N 3.710 122.679 119.300 -0.552 0.000 2.345 356 C HA 0.728 5.188 4.460 0.000 0.000 0.323 356 C C 0.566 175.370 174.990 -0.310 0.000 1.276 356 C CA 0.086 58.629 59.018 -0.791 0.000 1.543 356 C CB 0.632 27.837 27.740 -0.892 0.000 2.211 356 C HN 1.220 nan 8.230 nan 0.000 0.493 357 S N 3.958 119.525 115.700 -0.222 0.000 2.400 357 S HA 0.287 4.757 4.470 0.000 0.000 0.295 357 S C -0.539 174.050 174.600 -0.019 0.000 1.113 357 S CA -0.060 58.106 58.200 -0.057 0.000 1.064 357 S CB -0.099 63.122 63.200 0.035 0.000 0.990 357 S HN 0.877 nan 8.310 nan 0.000 0.502 358 D N 3.925 124.322 120.400 -0.006 0.000 2.392 358 D HA 0.606 5.246 4.640 0.000 0.000 0.228 358 D C 0.397 176.719 176.300 0.037 0.000 1.074 358 D CA 0.932 54.945 54.000 0.021 0.000 0.838 358 D CB 0.660 41.467 40.800 0.012 0.000 1.067 358 D HN 0.915 nan 8.370 nan 0.000 0.511 359 G N 1.994 110.830 108.800 0.060 0.000 2.730 359 G HA2 0.377 4.338 3.960 0.000 0.000 0.686 359 G HA3 0.377 4.338 3.960 0.000 0.000 0.686 359 G C 0.728 175.673 174.900 0.075 0.000 1.343 359 G CA 0.004 45.138 45.100 0.057 0.000 0.826 359 G HN 1.492 nan 8.290 nan 0.000 0.582 360 G N -1.363 107.471 108.800 0.056 0.000 2.176 360 G HA2 -0.096 3.864 3.960 0.000 0.000 0.253 360 G HA3 -0.096 3.864 3.960 0.000 0.000 0.253 360 G C 0.462 175.472 174.900 0.183 0.000 0.979 360 G CA 0.621 45.757 45.100 0.060 0.000 0.641 360 G HN 1.607 nan 8.290 nan 0.000 0.530 361 I N 1.883 122.540 120.570 0.144 0.000 2.322 361 I HA 0.258 4.429 4.170 0.000 0.000 0.292 361 I C 1.572 177.717 176.117 0.046 0.000 1.060 361 I CA 0.035 61.407 61.300 0.120 0.000 1.309 361 I CB 1.049 39.036 38.000 -0.022 0.000 1.415 361 I HN -0.058 nan 8.210 nan 0.000 0.492 362 V N 7.166 127.147 119.914 0.112 0.000 2.922 362 V HA 0.056 4.176 4.120 0.000 0.000 0.242 362 V C -0.041 175.680 176.094 -0.621 0.000 1.094 362 V CA 0.735 62.845 62.300 -0.317 0.000 1.106 362 V CB -0.184 31.347 31.823 -0.486 0.000 0.799 362 V HN 0.509 nan 8.190 nan 0.000 0.474 363 Y N -0.373 119.661 120.300 -0.444 0.000 2.598 363 Y HA 0.447 4.997 4.550 0.001 0.000 0.340 363 Y C 1.128 176.827 175.900 -0.334 0.000 1.038 363 Y CA -1.636 56.224 58.100 -0.399 0.000 1.100 363 Y CB 0.549 38.742 38.460 -0.445 0.000 1.281 363 Y HN -0.149 nan 8.280 nan 0.000 0.488 364 D N 0.304 120.739 120.400 0.059 0.000 2.133 364 D HA -0.246 4.394 4.640 0.000 0.000 0.195 364 D C 1.843 178.143 176.300 -0.000 0.000 0.997 364 D CA 2.060 56.070 54.000 0.016 0.000 0.840 364 D CB -0.313 40.529 40.800 0.070 0.000 0.947 364 D HN 0.802 nan 8.370 nan 0.000 0.452 365 Y N -0.053 120.220 120.300 -0.045 0.000 2.483 365 Y HA -0.119 4.431 4.550 0.001 0.000 0.291 365 Y C 1.934 177.850 175.900 0.027 0.000 1.143 365 Y CA 1.066 59.154 58.100 -0.020 0.000 1.289 365 Y CB -0.653 37.803 38.460 -0.007 0.000 0.983 365 Y HN 0.023 nan 8.280 nan 0.000 0.556 366 H N 0.377 119.096 119.070 -0.585 0.000 2.457 366 H HA -0.056 4.500 4.556 0.000 0.000 0.294 366 H C 1.956 176.908 175.328 -0.626 0.000 1.064 366 H CA 1.520 57.153 56.048 -0.692 0.000 1.330 366 H CB -0.298 29.131 29.762 -0.555 0.000 1.395 366 H HN 0.507 nan 8.280 nan 0.000 0.541 367 M N -0.380 119.065 119.600 -0.258 0.000 2.067 367 M HA -0.147 4.333 4.480 0.000 0.000 0.260 367 M C 2.192 178.371 176.300 -0.202 0.000 1.069 367 M CA 1.955 57.112 55.300 -0.239 0.000 1.117 367 M CB -0.361 32.135 32.600 -0.174 0.000 1.334 367 M HN 0.126 nan 8.290 nan 0.000 0.407 368 T N 1.391 115.874 114.554 -0.117 0.000 2.720 368 T HA -0.121 4.229 4.350 0.000 0.000 0.268 368 T C 1.865 176.504 174.700 -0.102 0.000 1.037 368 T CA 1.189 63.249 62.100 -0.066 0.000 1.144 368 T CB -0.443 68.432 68.868 0.011 0.000 0.864 368 T HN 0.294 nan 8.240 nan 0.000 0.444 369 L N 0.671 121.800 121.223 -0.156 0.000 2.017 369 L HA -0.112 4.229 4.340 0.000 0.000 0.208 369 L C 3.102 179.795 176.870 -0.295 0.000 1.073 369 L CA 1.309 56.031 54.840 -0.196 0.000 0.745 369 L CB -0.720 41.206 42.059 -0.222 0.000 0.894 369 L HN 0.270 nan 8.230 nan 0.000 0.432 370 A N 0.074 122.576 122.820 -0.531 0.000 1.908 370 A HA -0.181 4.139 4.320 0.000 0.000 0.218 370 A C 2.224 179.719 177.584 -0.149 0.000 1.181 370 A CA 1.525 53.342 52.037 -0.368 0.000 0.627 370 A CB -0.680 18.060 19.000 -0.433 0.000 0.818 370 A HN 0.370 nan 8.150 nan 0.000 0.445 371 L N -0.956 120.186 121.223 -0.136 0.000 2.027 371 L HA -0.142 4.198 4.340 0.000 0.000 0.206 371 L C 3.099 179.939 176.870 -0.049 0.000 1.074 371 L CA 1.008 55.808 54.840 -0.067 0.000 0.745 371 L CB -0.633 41.397 42.059 -0.048 0.000 0.898 371 L HN 0.413 nan 8.230 nan 0.000 0.433 372 A N -0.125 122.660 122.820 -0.058 0.000 1.978 372 A HA -0.220 4.100 4.320 0.000 0.000 0.220 372 A C 2.235 179.793 177.584 -0.043 0.000 1.170 372 A CA 1.754 53.767 52.037 -0.039 0.000 0.636 372 A CB -0.540 18.440 19.000 -0.033 0.000 0.810 372 A HN 0.402 nan 8.150 nan 0.000 0.448 373 M N -1.699 117.865 119.600 -0.060 0.000 2.630 373 M HA 0.112 4.593 4.480 0.000 0.000 0.254 373 M C 1.447 177.719 176.300 -0.047 0.000 1.092 373 M CA 0.989 56.253 55.300 -0.060 0.000 1.087 373 M CB 0.178 32.741 32.600 -0.061 0.000 1.453 373 M HN 0.654 nan 8.290 nan 0.000 0.509 374 G N -0.253 108.525 108.800 -0.037 0.000 2.296 374 G HA2 -0.103 3.857 3.960 0.000 0.000 0.188 374 G HA3 -0.103 3.857 3.960 0.000 0.000 0.188 374 G C 0.173 175.052 174.900 -0.035 0.000 1.000 374 G CA -0.252 44.830 45.100 -0.029 0.000 0.672 374 G HN 0.611 nan 8.290 nan 0.000 0.483 375 A N 0.788 123.577 122.820 -0.051 0.000 2.488 375 A HA 0.516 4.836 4.320 0.000 0.000 0.249 375 A C 1.156 178.716 177.584 -0.039 0.000 1.083 375 A CA 0.924 52.911 52.037 -0.083 0.000 0.768 375 A CB 0.221 19.164 19.000 -0.096 0.000 1.017 375 A HN 0.268 nan 8.150 nan 0.000 0.496 376 D N 0.926 121.306 120.400 -0.033 0.000 2.137 376 D HA 0.082 4.722 4.640 0.000 0.000 0.202 376 D C 0.187 176.623 176.300 0.227 0.000 0.970 376 D CA 1.649 55.732 54.000 0.138 0.000 0.837 376 D CB 0.030 41.003 40.800 0.289 0.000 0.981 376 D HN 0.641 nan 8.370 nan 0.000 0.475 377 F N -0.720 119.220 119.950 -0.015 0.000 2.692 377 F HA 0.606 5.133 4.527 0.000 0.000 0.320 377 F C -1.215 174.567 175.800 -0.030 0.000 1.123 377 F CA -1.485 56.497 58.000 -0.031 0.000 0.961 377 F CB 0.986 39.956 39.000 -0.049 0.000 1.383 377 F HN -0.393 nan 8.300 nan 0.000 0.483 378 I N 2.360 123.031 120.570 0.169 0.000 2.509 378 I HA 0.463 4.633 4.170 0.000 0.000 0.293 378 I C -0.877 175.335 176.117 0.158 0.000 1.020 378 I CA -0.835 60.502 61.300 0.062 0.000 1.088 378 I CB 2.149 40.147 38.000 -0.003 0.000 1.267 378 I HN 0.743 nan 8.210 nan 0.000 0.430 379 M N 7.144 126.812 119.600 0.114 0.000 2.205 379 M HA 0.619 5.099 4.480 0.000 0.000 0.344 379 M C -1.884 174.510 176.300 0.156 0.000 1.085 379 M CA -0.340 55.061 55.300 0.169 0.000 1.001 379 M CB 1.120 33.790 32.600 0.117 0.000 1.626 379 M HN 0.507 nan 8.290 nan 0.000 0.442 380 L N 4.069 125.447 121.223 0.258 0.000 2.381 380 L HA 0.647 4.988 4.340 0.000 0.000 0.268 380 L C 0.452 177.511 176.870 0.315 0.000 0.997 380 L CA -0.595 54.378 54.840 0.222 0.000 0.818 380 L CB 2.128 44.242 42.059 0.092 0.000 1.310 380 L HN 0.966 nan 8.230 nan 0.000 0.416 381 G N 0.413 109.323 108.800 0.183 0.000 2.764 381 G HA2 0.025 3.985 3.960 0.000 0.000 0.218 381 G HA3 0.025 3.985 3.960 0.000 0.000 0.218 381 G C 1.250 176.108 174.900 -0.070 0.000 1.304 381 G CA -0.007 45.203 45.100 0.183 0.000 0.847 381 G HN 0.580 nan 8.290 nan 0.000 0.610 382 R N -0.746 119.544 120.500 -0.350 0.000 2.113 382 R HA -0.207 4.133 4.340 0.000 0.000 0.244 382 R C 2.225 178.220 176.300 -0.507 0.000 1.142 382 R CA 2.021 57.650 56.100 -0.785 0.000 0.953 382 R CB -0.655 29.328 30.300 -0.529 0.000 0.860 382 R HN 0.423 nan 8.270 nan 0.000 0.438 383 Y N 0.057 120.080 120.300 -0.462 0.000 2.069 383 Y HA -0.299 4.251 4.550 0.000 0.000 0.278 383 Y C 1.788 177.130 175.900 -0.929 0.000 1.175 383 Y CA 2.205 59.945 58.100 -0.600 0.000 1.134 383 Y CB -0.434 37.681 38.460 -0.575 0.000 0.965 383 Y HN 0.032 nan 8.280 nan 0.000 0.498 384 F N -0.608 119.123 119.950 -0.366 0.000 2.367 384 F HA 0.078 4.605 4.527 0.001 0.000 0.298 384 F C 2.470 177.953 175.800 -0.529 0.000 1.094 384 F CA 0.752 58.463 58.000 -0.482 0.000 1.409 384 F CB -1.014 38.011 39.000 0.042 0.000 1.064 384 F HN 0.128 nan 8.300 nan 0.000 0.528 385 A N 0.430 123.084 122.820 -0.278 0.000 2.019 385 A HA -0.186 4.135 4.320 0.000 0.000 0.219 385 A C 2.232 179.670 177.584 -0.244 0.000 1.164 385 A CA 1.300 53.206 52.037 -0.218 0.000 0.644 385 A CB -0.623 18.191 19.000 -0.310 0.000 0.805 385 A HN 0.337 nan 8.150 nan 0.000 0.449 386 R N -1.496 118.714 120.500 -0.483 0.000 2.237 386 R HA 0.026 4.367 4.340 0.000 0.000 0.219 386 R C -0.390 175.814 176.300 -0.161 0.000 1.080 386 R CA 0.159 56.044 56.100 -0.359 0.000 0.995 386 R CB -0.200 29.779 30.300 -0.536 0.000 0.875 386 R HN 0.457 nan 8.270 nan 0.000 0.462 387 F N 0.889 120.808 119.950 -0.052 0.000 2.382 387 F HA 0.046 4.573 4.527 0.000 0.000 0.331 387 F C 1.799 177.669 175.800 0.116 0.000 1.121 387 F CA -1.436 56.548 58.000 -0.028 0.000 1.183 387 F CB 0.442 39.434 39.000 -0.013 0.000 1.207 387 F HN -0.157 nan 8.300 nan 0.000 0.555 388 E N 1.085 121.517 120.200 0.387 0.000 2.130 388 E HA -0.244 4.107 4.350 0.000 0.000 0.196 388 E C 1.324 178.053 176.600 0.214 0.000 0.998 388 E CA 1.878 58.497 56.400 0.364 0.000 0.806 388 E CB -0.088 29.787 29.700 0.292 0.000 0.738 388 E HN 0.644 nan 8.360 nan 0.000 0.459 389 E N 0.250 120.563 120.200 0.188 0.000 2.478 389 E HA 0.006 4.356 4.350 0.000 0.000 0.198 389 E C 0.292 176.961 176.600 0.115 0.000 1.046 389 E CA 0.588 57.059 56.400 0.118 0.000 0.870 389 E CB -0.016 29.726 29.700 0.070 0.000 0.818 389 E HN 0.289 nan 8.360 nan 0.000 0.527 390 S N 1.011 116.798 115.700 0.145 0.000 2.576 390 S HA 0.112 4.582 4.470 0.000 0.000 0.276 390 S C -1.596 173.047 174.600 0.071 0.000 1.339 390 S CA -1.163 57.091 58.200 0.090 0.000 1.039 390 S CB 0.889 64.128 63.200 0.064 0.000 0.902 390 S HN -0.065 nan 8.310 nan 0.000 0.516 391 P HA 0.069 nan 4.420 nan 0.000 0.252 391 P C 0.476 177.823 177.300 0.078 0.000 1.265 391 P CA 0.204 63.343 63.100 0.065 0.000 0.775 391 P CB -0.659 31.086 31.700 0.076 0.000 1.128 392 T N -2.608 111.987 114.554 0.069 0.000 2.897 392 T HA 0.442 4.793 4.350 0.000 0.000 0.278 392 T C 0.353 175.133 174.700 0.132 0.000 0.981 392 T CA -0.949 61.230 62.100 0.131 0.000 0.973 392 T CB 1.294 70.232 68.868 0.117 0.000 1.092 392 T HN -0.097 nan 8.240 nan 0.000 0.543 393 R N 0.707 121.305 120.500 0.163 0.000 2.438 393 R HA 0.291 4.631 4.340 0.000 0.000 0.287 393 R C 0.182 176.544 176.300 0.104 0.000 1.077 393 R CA -0.447 55.724 56.100 0.120 0.000 1.034 393 R CB 0.557 30.932 30.300 0.124 0.000 0.993 393 R HN 0.556 nan 8.270 nan 0.000 0.459 394 K N 2.854 123.273 120.400 0.032 0.000 2.285 394 K HA 0.215 4.535 4.320 0.000 0.000 0.286 394 K C -1.070 175.514 176.600 -0.027 0.000 1.072 394 K CA -0.290 55.974 56.287 -0.037 0.000 0.913 394 K CB 0.835 33.236 32.500 -0.165 0.000 1.067 394 K HN 0.268 nan 8.250 nan 0.000 0.479 395 V N 3.490 123.397 119.914 -0.013 0.000 2.540 395 V HA 0.223 4.343 4.120 0.000 0.000 0.302 395 V C -0.304 175.727 176.094 -0.106 0.000 1.035 395 V CA -0.843 61.429 62.300 -0.045 0.000 0.873 395 V CB 2.035 33.842 31.823 -0.026 0.000 0.992 395 V HN 0.759 nan 8.190 nan 0.000 0.428 396 T N 6.465 120.961 114.554 -0.096 0.000 2.738 396 T HA 0.576 4.927 4.350 0.000 0.000 0.298 396 T C -0.160 174.475 174.700 -0.109 0.000 0.962 396 T CA 0.095 62.139 62.100 -0.093 0.000 0.972 396 T CB 0.005 68.834 68.868 -0.065 0.000 0.928 396 T HN 0.394 nan 8.240 nan 0.000 0.474 397 I N 5.104 125.596 120.570 -0.131 0.000 2.354 397 I HA 0.248 4.418 4.170 0.000 0.000 0.286 397 I C 0.323 176.391 176.117 -0.080 0.000 1.007 397 I CA -0.842 60.378 61.300 -0.134 0.000 1.167 397 I CB 0.802 38.672 38.000 -0.217 0.000 1.320 397 I HN 0.754 nan 8.210 nan 0.000 0.458 398 N N 5.120 123.786 118.700 -0.057 0.000 2.669 398 N HA -0.256 4.484 4.740 0.000 0.000 0.266 398 N C 0.620 176.113 175.510 -0.028 0.000 1.024 398 N CA 0.923 53.952 53.050 -0.036 0.000 0.766 398 N CB -1.420 37.049 38.487 -0.030 0.000 0.898 398 N HN 1.139 nan 8.380 nan 0.000 0.548 399 G N -1.871 106.913 108.800 -0.027 0.000 2.205 399 G HA2 -0.305 3.655 3.960 0.000 0.000 0.261 399 G HA3 -0.305 3.655 3.960 0.000 0.000 0.261 399 G C -0.034 174.858 174.900 -0.014 0.000 0.980 399 G CA 0.608 45.697 45.100 -0.017 0.000 0.632 399 G HN 0.888 nan 8.290 nan 0.000 0.533 400 S N 0.001 115.686 115.700 -0.024 0.000 2.449 400 S HA 0.601 5.071 4.470 0.000 0.000 0.310 400 S C 0.235 174.818 174.600 -0.027 0.000 1.096 400 S CA -0.486 57.705 58.200 -0.014 0.000 1.095 400 S CB 2.316 65.507 63.200 -0.016 0.000 1.007 400 S HN 0.621 nan 8.310 nan 0.000 0.474 401 V N 5.868 125.785 119.914 0.006 0.000 2.455 401 V HA 0.373 4.493 4.120 0.000 0.000 0.273 401 V C 0.093 176.209 176.094 0.037 0.000 1.045 401 V CA -0.014 62.277 62.300 -0.014 0.000 0.976 401 V CB 0.524 32.330 31.823 -0.028 0.000 0.993 401 V HN 0.768 nan 8.190 nan 0.000 0.475 402 M N 4.471 124.067 119.600 -0.007 0.000 2.796 402 M HA 0.659 5.139 4.480 0.000 0.000 0.303 402 M C -0.631 175.740 176.300 0.118 0.000 1.240 402 M CA -0.899 54.436 55.300 0.059 0.000 0.831 402 M CB 2.233 34.821 32.600 -0.020 0.000 1.750 402 M HN 0.400 nan 8.290 nan 0.000 0.484 403 K N 0.674 121.198 120.400 0.206 0.000 2.426 403 K HA 0.486 4.806 4.320 0.000 0.000 0.251 403 K C -0.915 175.869 176.600 0.307 0.000 0.941 403 K CA -0.698 55.718 56.287 0.214 0.000 0.808 403 K CB 2.529 35.120 32.500 0.151 0.000 1.265 403 K HN 0.585 nan 8.250 nan 0.000 0.432 404 E N 1.151 121.526 120.200 0.293 0.000 2.383 404 E HA 0.106 4.456 4.350 0.000 0.000 0.264 404 E C -1.159 175.566 176.600 0.209 0.000 1.050 404 E CA -0.011 56.544 56.400 0.258 0.000 0.896 404 E CB 0.589 30.510 29.700 0.369 0.000 0.982 404 E HN 0.329 nan 8.360 nan 0.000 0.424 405 Y N 2.626 122.930 120.300 0.006 0.000 2.348 405 Y HA 0.344 4.894 4.550 0.000 0.000 0.321 405 Y C -2.097 173.798 175.900 -0.008 0.000 1.163 405 Y CA -1.065 56.943 58.100 -0.153 0.000 1.070 405 Y CB 0.797 39.181 38.460 -0.127 0.000 1.250 405 Y HN 0.624 nan 8.280 nan 0.000 0.425 406 W N 4.589 125.515 121.300 -0.623 0.000 3.032 406 W HA 0.887 5.547 4.660 0.000 0.000 0.335 406 W C -0.544 175.607 176.519 -0.613 0.000 1.154 406 W CA -1.691 55.336 57.345 -0.530 0.000 1.204 406 W CB 0.847 30.126 29.460 -0.301 0.000 1.416 406 W HN 0.876 nan 8.180 nan 0.000 0.521 407 G N 1.399 110.035 108.800 -0.273 0.000 2.572 407 G HA2 0.182 4.142 3.960 0.000 0.000 0.261 407 G HA3 0.182 4.142 3.960 0.000 0.000 0.261 407 G C 0.404 175.277 174.900 -0.045 0.000 1.197 407 G CA -0.486 44.475 45.100 -0.232 0.000 0.870 407 G HN 0.688 nan 8.290 nan 0.000 0.548 408 E N 0.994 121.162 120.200 -0.054 0.000 2.418 408 E HA -0.060 4.290 4.350 0.000 0.000 0.197 408 E C 2.315 178.951 176.600 0.061 0.000 1.026 408 E CA 0.811 57.227 56.400 0.027 0.000 0.862 408 E CB 0.106 29.813 29.700 0.012 0.000 0.799 408 E HN 0.552 nan 8.360 nan 0.000 0.518 409 G N 1.202 110.019 108.800 0.029 0.000 2.777 409 G HA2 -0.087 3.874 3.960 0.000 0.000 0.211 409 G HA3 -0.087 3.874 3.960 0.000 0.000 0.211 409 G C 0.813 175.719 174.900 0.010 0.000 1.149 409 G CA 0.330 45.447 45.100 0.027 0.000 0.785 409 G HN 0.249 nan 8.290 nan 0.000 0.536 410 S N 0.436 116.145 115.700 0.013 0.000 2.593 410 S HA 0.246 4.716 4.470 0.000 0.000 0.269 410 S C 1.794 176.384 174.600 -0.016 0.000 1.334 410 S CA 0.523 58.711 58.200 -0.020 0.000 1.015 410 S CB 1.573 64.769 63.200 -0.007 0.000 0.912 410 S HN 0.407 nan 8.310 nan 0.000 0.541 411 S N 1.565 117.234 115.700 -0.053 0.000 2.419 411 S HA -0.185 4.285 4.470 0.000 0.000 0.233 411 S C 1.793 176.348 174.600 -0.076 0.000 1.016 411 S CA 0.828 58.999 58.200 -0.048 0.000 0.974 411 S CB -0.644 62.521 63.200 -0.058 0.000 0.786 411 S HN 0.846 nan 8.310 nan 0.000 0.492 412 R N 1.357 121.767 120.500 -0.150 0.000 2.152 412 R HA 0.002 4.342 4.340 0.000 0.000 0.232 412 R C 2.076 178.224 176.300 -0.253 0.000 1.117 412 R CA 1.244 57.166 56.100 -0.295 0.000 0.981 412 R CB -0.467 29.505 30.300 -0.548 0.000 0.870 412 R HN 0.559 nan 8.270 nan 0.000 0.451 413 A N 0.135 122.925 122.820 -0.051 0.000 1.942 413 A HA 0.113 4.433 4.320 0.000 0.000 0.209 413 A C 1.934 179.656 177.584 0.229 0.000 1.214 413 A CA 0.042 52.165 52.037 0.144 0.000 0.686 413 A CB -0.047 19.126 19.000 0.289 0.000 0.871 413 A HN 0.221 nan 8.150 nan 0.000 0.460 414 R N 0.378 120.984 120.500 0.176 0.000 2.152 414 R HA -0.058 4.282 4.340 0.000 0.000 0.232 414 R C 0.439 176.833 176.300 0.157 0.000 1.117 414 R CA 0.889 57.116 56.100 0.211 0.000 0.981 414 R CB -0.286 30.072 30.300 0.097 0.000 0.870 414 R HN 0.358 nan 8.270 nan 0.000 0.451 415 N N 1.496 120.250 118.700 0.091 0.000 3.193 415 N HA -0.064 4.677 4.740 0.000 0.000 0.312 415 N C -0.740 174.835 175.510 0.109 0.000 1.261 415 N CA 0.204 53.271 53.050 0.028 0.000 1.208 415 N CB 0.032 38.511 38.487 -0.013 0.000 1.471 415 N HN 0.315 nan 8.380 nan 0.000 0.548 429 F N 1.698 121.641 119.950 -0.013 0.000 2.922 429 F HA 0.849 5.377 4.527 0.000 0.000 0.345 429 F C -1.310 174.484 175.800 -0.010 0.000 1.209 429 F CA -0.883 57.111 58.000 -0.010 0.000 1.018 429 F CB 1.588 40.583 39.000 -0.008 0.000 1.472 429 F HN 0.214 nan 8.300 nan 0.000 0.521 430 E N 0.366 120.130 120.200 -0.726 0.000 2.597 430 E HA 0.197 4.548 4.350 0.000 0.000 0.310 430 E C -1.046 175.251 176.600 -0.504 0.000 0.970 430 E CA -0.192 55.946 56.400 -0.436 0.000 0.819 430 E CB 1.337 30.842 29.700 -0.324 0.000 1.267 430 E HN 0.504 nan 8.360 nan 0.000 0.411 431 E N 1.434 121.532 120.200 -0.171 0.000 2.358 431 E HA 0.182 4.533 4.350 0.000 0.000 0.195 431 E C 0.497 177.047 176.600 -0.083 0.000 1.010 431 E CA 0.997 57.354 56.400 -0.072 0.000 0.856 431 E CB 0.703 30.420 29.700 0.028 0.000 0.795 431 E HN 0.447 nan 8.360 nan 0.000 0.504 432 G N -0.849 107.888 108.800 -0.105 0.000 2.921 432 G HA2 0.586 4.546 3.960 0.000 0.000 0.291 432 G HA3 0.586 4.546 3.960 0.000 0.000 0.291 432 G C -1.002 173.840 174.900 -0.096 0.000 1.370 432 G CA -0.251 44.799 45.100 -0.082 0.000 0.847 432 G HN 0.087 nan 8.290 nan 0.000 0.532 433 V N -2.540 117.328 119.914 -0.076 0.000 3.074 433 V HA 0.836 4.956 4.120 0.000 0.000 0.314 433 V C -1.530 174.535 176.094 -0.048 0.000 1.117 433 V CA -1.049 61.211 62.300 -0.066 0.000 1.014 433 V CB 2.182 33.977 31.823 -0.047 0.000 1.057 433 V HN 0.645 nan 8.190 nan 0.000 0.438 434 D N 1.264 121.636 120.400 -0.047 0.000 2.462 434 D HA 0.708 5.348 4.640 0.000 0.000 0.245 434 D C -0.120 176.122 176.300 -0.097 0.000 1.122 434 D CA 0.377 54.356 54.000 -0.035 0.000 0.864 434 D CB 1.541 42.288 40.800 -0.087 0.000 1.098 434 D HN 1.125 nan 8.370 nan 0.000 0.541 435 S N 1.938 117.584 115.700 -0.091 0.000 2.998 435 S HA 0.660 5.131 4.470 0.000 0.000 0.323 435 S C -1.065 173.377 174.600 -0.265 0.000 1.141 435 S CA -0.748 57.362 58.200 -0.151 0.000 0.873 435 S CB 0.751 63.970 63.200 0.032 0.000 1.315 435 S HN 0.283 nan 8.310 nan 0.000 0.637 436 Y N 0.020 120.394 120.300 0.125 0.000 2.499 436 Y HA 0.696 5.246 4.550 0.000 0.000 0.347 436 Y C -0.177 175.762 175.900 0.065 0.000 0.987 436 Y CA -0.882 57.281 58.100 0.105 0.000 1.044 436 Y CB 2.202 40.705 38.460 0.072 0.000 1.245 436 Y HN 0.734 nan 8.280 nan 0.000 0.461 437 V N 0.196 120.232 119.914 0.205 0.000 2.735 437 V HA 0.743 4.863 4.120 0.000 0.000 0.310 437 V C -2.907 173.222 176.094 0.059 0.000 1.061 437 V CA -3.038 59.291 62.300 0.049 0.000 0.913 437 V CB 2.022 33.776 31.823 -0.115 0.000 1.005 437 V HN 0.568 nan 8.190 nan 0.000 0.428 438 P HA 0.090 nan 4.420 nan 0.000 0.271 438 P C -0.945 176.388 177.300 0.056 0.000 1.220 438 P CA 0.144 63.269 63.100 0.041 0.000 0.768 438 P CB 0.383 32.090 31.700 0.012 0.000 0.848 439 Y N 3.540 123.827 120.300 -0.021 0.000 2.620 439 Y HA 0.194 4.744 4.550 0.000 0.000 0.330 439 Y C 1.024 176.923 175.900 -0.001 0.000 1.186 439 Y CA 0.161 58.257 58.100 -0.008 0.000 1.467 439 Y CB 0.404 38.870 38.460 0.010 0.000 1.262 439 Y HN 0.531 nan 8.280 nan 0.000 0.550 440 A N 4.390 126.936 122.820 -0.458 0.000 2.469 440 A HA 0.577 4.897 4.320 0.000 0.000 0.245 440 A C 1.135 178.416 177.584 -0.505 0.000 1.221 440 A CA 0.465 52.291 52.037 -0.350 0.000 0.946 440 A CB -0.737 18.196 19.000 -0.112 0.000 1.049 440 A HN 1.648 nan 8.150 nan 0.000 0.529 441 G N 0.283 108.396 108.800 -1.146 0.000 2.508 441 G HA2 -0.153 3.807 3.960 0.000 0.000 0.220 441 G HA3 -0.153 3.807 3.960 0.000 0.000 0.220 441 G C -0.528 174.212 174.900 -0.267 0.000 1.287 441 G CA -0.398 44.276 45.100 -0.710 0.000 0.916 441 G HN 0.377 nan 8.290 nan 0.000 0.574 442 K N 0.361 120.650 120.400 -0.184 0.000 2.295 442 K HA 0.291 4.611 4.320 0.000 0.000 0.270 442 K C 1.699 178.009 176.600 -0.485 0.000 1.011 442 K CA -0.004 56.168 56.287 -0.193 0.000 0.953 442 K CB 1.596 34.015 32.500 -0.136 0.000 0.956 442 K HN 0.591 nan 8.250 nan 0.000 0.477 443 L N 3.105 123.959 121.223 -0.615 0.000 2.012 443 L HA -0.276 4.064 4.340 0.000 0.000 0.210 443 L C 2.591 179.061 176.870 -0.666 0.000 1.073 443 L CA 1.824 55.986 54.840 -1.131 0.000 0.748 443 L CB -0.216 41.562 42.059 -0.469 0.000 0.891 443 L HN 0.703 nan 8.230 nan 0.000 0.431 444 K N -0.080 120.110 120.400 -0.350 0.000 2.015 444 K HA -0.287 4.034 4.320 0.000 0.000 0.220 444 K C 1.757 178.239 176.600 -0.196 0.000 1.055 444 K CA 2.495 58.652 56.287 -0.217 0.000 0.951 444 K CB -0.322 32.084 32.500 -0.157 0.000 0.725 444 K HN 0.485 nan 8.250 nan 0.000 0.449 445 D N 0.129 120.408 120.400 -0.202 0.000 2.144 445 D HA -0.155 4.485 4.640 0.000 0.000 0.199 445 D C 1.730 177.945 176.300 -0.143 0.000 0.984 445 D CA 0.963 54.875 54.000 -0.148 0.000 0.834 445 D CB -0.323 40.398 40.800 -0.132 0.000 0.955 445 D HN 0.371 nan 8.370 nan 0.000 0.465 446 N N 0.586 119.146 118.700 -0.233 0.000 2.135 446 N HA -0.088 4.652 4.740 0.000 0.000 0.186 446 N C 2.138 177.638 175.510 -0.016 0.000 1.027 446 N CA 0.537 53.499 53.050 -0.146 0.000 0.849 446 N CB -0.092 38.266 38.487 -0.215 0.000 1.002 446 N HN 0.047 nan 8.380 nan 0.000 0.425 447 V N 1.924 121.806 119.914 -0.054 0.000 2.407 447 V HA -0.198 3.922 4.120 0.000 0.000 0.248 447 V C 2.431 178.552 176.094 0.044 0.000 1.055 447 V CA 1.542 63.899 62.300 0.096 0.000 1.049 447 V CB -0.482 31.395 31.823 0.090 0.000 0.662 447 V HN 0.367 nan 8.190 nan 0.000 0.455 448 E N 0.246 120.439 120.200 -0.011 0.000 2.077 448 E HA -0.215 4.135 4.350 0.000 0.000 0.193 448 E C 2.242 178.843 176.600 0.001 0.000 0.989 448 E CA 1.353 57.746 56.400 -0.012 0.000 0.800 448 E CB -0.226 29.453 29.700 -0.035 0.000 0.746 448 E HN 0.561 nan 8.360 nan 0.000 0.452 449 A N 0.390 123.210 122.820 0.001 0.000 1.902 449 A HA -0.146 4.174 4.320 0.000 0.000 0.217 449 A C 2.370 179.973 177.584 0.032 0.000 1.181 449 A CA 1.739 53.782 52.037 0.010 0.000 0.623 449 A CB -0.532 18.471 19.000 0.004 0.000 0.818 449 A HN 0.269 nan 8.150 nan 0.000 0.443 450 S N -0.144 115.594 115.700 0.064 0.000 2.356 450 S HA -0.058 4.412 4.470 0.000 0.000 0.223 450 S C 1.766 176.382 174.600 0.027 0.000 1.032 450 S CA 1.434 59.676 58.200 0.070 0.000 1.005 450 S CB -0.410 62.868 63.200 0.130 0.000 0.867 450 S HN 0.516 nan 8.310 nan 0.000 0.449 451 L N 1.598 122.834 121.223 0.022 0.000 2.291 451 L HA -0.029 4.311 4.340 0.000 0.000 0.214 451 L C 1.962 178.836 176.870 0.006 0.000 1.120 451 L CA 0.553 55.397 54.840 0.007 0.000 0.799 451 L CB -0.586 41.479 42.059 0.010 0.000 0.925 451 L HN 0.258 nan 8.230 nan 0.000 0.446 452 N N 0.498 119.202 118.700 0.008 0.000 2.216 452 N HA -0.126 4.614 4.740 0.000 0.000 0.183 452 N C 1.738 177.251 175.510 0.004 0.000 1.017 452 N CA 1.052 54.104 53.050 0.003 0.000 0.861 452 N CB 0.027 38.514 38.487 0.001 0.000 0.986 452 N HN 0.344 nan 8.380 nan 0.000 0.428 453 K N 0.426 120.832 120.400 0.009 0.000 2.097 453 K HA 0.017 4.337 4.320 0.000 0.000 0.205 453 K C 1.957 178.565 176.600 0.012 0.000 1.050 453 K CA 0.580 56.874 56.287 0.011 0.000 0.938 453 K CB -0.048 32.464 32.500 0.021 0.000 0.718 453 K HN -0.041 nan 8.250 nan 0.000 0.442 454 V N 2.026 121.945 119.914 0.009 0.000 2.295 454 V HA -0.264 3.857 4.120 0.000 0.000 0.246 454 V C 2.073 178.169 176.094 0.003 0.000 1.049 454 V CA 1.752 64.054 62.300 0.004 0.000 1.024 454 V CB -0.375 31.442 31.823 -0.010 0.000 0.648 454 V HN 0.297 nan 8.190 nan 0.000 0.447 455 K N -0.094 120.306 120.400 0.001 0.000 2.063 455 K HA -0.181 4.139 4.320 0.000 0.000 0.208 455 K C 2.514 179.114 176.600 0.000 0.000 1.048 455 K CA 1.701 57.989 56.287 0.001 0.000 0.928 455 K CB -0.403 32.097 32.500 0.000 0.000 0.713 455 K HN 0.389 nan 8.250 nan 0.000 0.442 456 S N 0.166 115.866 115.700 0.001 0.000 2.356 456 S HA -0.137 4.334 4.470 0.000 0.000 0.223 456 S C 1.892 176.491 174.600 -0.001 0.000 1.032 456 S CA 1.825 60.024 58.200 -0.001 0.000 1.005 456 S CB -0.315 62.884 63.200 -0.003 0.000 0.867 456 S HN 0.288 nan 8.310 nan 0.000 0.449 457 T N 2.205 116.761 114.554 0.003 0.000 2.788 457 T HA -0.026 4.325 4.350 0.000 0.000 0.268 457 T C 1.826 176.530 174.700 0.006 0.000 1.044 457 T CA 1.548 63.652 62.100 0.006 0.000 1.139 457 T CB -0.304 68.575 68.868 0.019 0.000 0.867 457 T HN 0.388 nan 8.240 nan 0.000 0.454 458 M N 0.412 120.014 119.600 0.004 0.000 2.149 458 M HA -0.115 4.366 4.480 0.000 0.000 0.261 458 M C 2.545 178.846 176.300 0.002 0.000 1.064 458 M CA 1.231 56.533 55.300 0.003 0.000 1.102 458 M CB -0.586 32.015 32.600 0.001 0.000 1.369 458 M HN 0.327 nan 8.290 nan 0.000 0.408 459 c N 0.332 118.932 118.600 0.000 0.000 2.435 459 c HA -0.102 4.468 4.570 0.000 0.000 0.279 459 c C 2.155 176.244 174.090 -0.001 0.000 1.321 459 c CA 0.982 57.311 56.329 -0.001 0.000 1.752 459 c CB -1.618 40.891 42.510 -0.002 0.000 1.959 459 c HN 0.600 nan 8.230 nan 0.000 0.500 460 N N -0.353 118.346 118.700 -0.001 0.000 2.289 460 N HA -0.119 4.621 4.740 0.000 0.000 0.184 460 N C 1.146 176.657 175.510 0.001 0.000 1.016 460 N CA 1.347 54.396 53.050 -0.001 0.000 0.872 460 N CB -0.126 38.359 38.487 -0.003 0.000 0.973 460 N HN 0.480 nan 8.380 nan 0.000 0.433 461 C N -0.150 119.152 119.300 0.004 0.000 2.697 461 C HA 0.367 4.827 4.460 0.000 0.000 0.267 461 C C 1.530 176.523 174.990 0.005 0.000 1.278 461 C CA -0.056 58.966 59.018 0.006 0.000 1.708 461 C CB -1.068 26.677 27.740 0.008 0.000 1.860 461 C HN 0.634 nan 8.230 nan 0.000 0.589 462 G N 0.947 109.749 108.800 0.003 0.000 2.176 462 G HA2 0.035 3.996 3.960 0.000 0.000 0.252 462 G HA3 0.035 3.996 3.960 0.000 0.000 0.252 462 G C -0.092 174.810 174.900 0.002 0.000 1.024 462 G CA 0.293 45.395 45.100 0.002 0.000 0.755 462 G HN 0.979 nan 8.290 nan 0.000 0.507 463 A N -0.706 122.115 122.820 0.001 0.000 2.331 463 A HA 0.838 5.158 4.320 0.000 0.000 0.320 463 A C 0.841 178.424 177.584 -0.001 0.000 1.138 463 A CA -0.462 51.576 52.037 0.001 0.000 0.790 463 A CB 1.186 20.186 19.000 0.001 0.000 1.206 463 A HN 0.581 nan 8.150 nan 0.000 0.470 464 L N 1.362 122.584 121.223 -0.002 0.000 2.590 464 L HA 0.172 4.513 4.340 0.000 0.000 0.227 464 L C 0.956 177.824 176.870 -0.004 0.000 1.099 464 L CA 1.030 55.868 54.840 -0.003 0.000 0.872 464 L CB 0.328 42.385 42.059 -0.004 0.000 1.088 464 L HN 0.929 nan 8.230 nan 0.000 0.479 465 T N -5.339 109.213 114.554 -0.004 0.000 2.865 465 T HA 0.396 4.747 4.350 0.000 0.000 0.294 465 T C 0.943 175.642 174.700 -0.002 0.000 1.119 465 T CA -0.666 61.431 62.100 -0.004 0.000 1.007 465 T CB 1.661 70.523 68.868 -0.009 0.000 1.225 465 T HN -0.122 nan 8.240 nan 0.000 0.515 466 I N 0.828 121.399 120.570 0.002 0.000 2.226 466 I HA 0.004 4.174 4.170 0.000 0.000 0.245 466 I C -0.857 175.264 176.117 0.006 0.000 1.100 466 I CA 0.761 62.066 61.300 0.007 0.000 1.374 466 I CB -0.967 37.045 38.000 0.021 0.000 1.057 466 I HN 0.518 nan 8.210 nan 0.000 0.413 467 P HA -0.210 nan 4.420 nan 0.000 0.216 467 P C 1.546 178.844 177.300 -0.003 0.000 1.150 467 P CA 1.357 64.454 63.100 -0.006 0.000 0.837 467 P CB -0.013 31.671 31.700 -0.026 0.000 0.786 468 Q N -0.782 119.016 119.800 -0.003 0.000 2.167 468 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 468 Q C 1.952 177.953 176.000 0.002 0.000 0.970 468 Q CA 0.921 56.723 55.803 -0.001 0.000 0.855 468 Q CB -0.597 28.140 28.738 -0.002 0.000 0.911 468 Q HN 0.102 nan 8.270 nan 0.000 0.438 469 L N 0.577 121.801 121.223 0.001 0.000 2.056 469 L HA -0.167 4.173 4.340 0.000 0.000 0.207 469 L C 1.975 178.845 176.870 0.001 0.000 1.078 469 L CA 1.799 56.639 54.840 0.001 0.000 0.749 469 L CB -0.299 41.759 42.059 -0.002 0.000 0.901 469 L HN 0.211 nan 8.230 nan 0.000 0.433 470 Q N -1.324 118.477 119.800 0.002 0.000 2.226 470 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 470 Q C 2.339 178.342 176.000 0.006 0.000 0.975 470 Q CA 1.509 57.313 55.803 0.003 0.000 0.866 470 Q CB -0.124 28.621 28.738 0.011 0.000 0.915 470 Q HN 0.618 nan 8.270 nan 0.000 0.440 471 S N 0.180 115.884 115.700 0.008 0.000 2.421 471 S HA -0.012 4.458 4.470 0.000 0.000 0.224 471 S C 1.504 176.110 174.600 0.011 0.000 1.035 471 S CA 0.646 58.853 58.200 0.011 0.000 0.953 471 S CB 0.237 63.444 63.200 0.011 0.000 0.810 471 S HN 0.196 nan 8.310 nan 0.000 0.497 472 K N 0.988 121.393 120.400 0.009 0.000 2.352 472 K HA 0.399 4.719 4.320 0.000 0.000 0.194 472 K C 0.590 177.196 176.600 0.010 0.000 1.038 472 K CA 0.241 56.534 56.287 0.009 0.000 1.023 472 K CB 0.219 32.724 32.500 0.008 0.000 0.840 472 K HN 0.348 nan 8.250 nan 0.000 0.519 473 A N 2.340 125.165 122.820 0.008 0.000 2.565 473 A HA -0.002 4.319 4.320 0.000 0.000 0.237 473 A C -0.492 177.102 177.584 0.016 0.000 1.053 473 A CA 0.455 52.498 52.037 0.011 0.000 0.755 473 A CB -0.002 19.001 19.000 0.005 0.000 0.980 473 A HN 0.158 nan 8.150 nan 0.000 0.506 474 K N 2.303 122.716 120.400 0.023 0.000 2.367 474 K HA 0.530 4.851 4.320 0.000 0.000 0.263 474 K C -1.177 175.451 176.600 0.047 0.000 1.000 474 K CA 0.208 56.514 56.287 0.031 0.000 0.891 474 K CB 1.345 33.861 32.500 0.027 0.000 1.117 474 K HN 0.623 nan 8.250 nan 0.000 0.443 475 I N 1.913 122.518 120.570 0.059 0.000 2.362 475 I HA 0.221 4.392 4.170 0.000 0.000 0.289 475 I C 0.046 176.258 176.117 0.158 0.000 0.994 475 I CA -0.668 60.694 61.300 0.102 0.000 1.158 475 I CB 2.004 40.037 38.000 0.056 0.000 1.315 475 I HN 0.446 nan 8.210 nan 0.000 0.451 476 T N 6.264 120.926 114.554 0.180 0.000 2.885 476 T HA 0.551 4.902 4.350 0.000 0.000 0.285 476 T C -0.702 174.064 174.700 0.110 0.000 1.019 476 T CA -0.505 61.675 62.100 0.132 0.000 1.010 476 T CB 1.321 70.222 68.868 0.056 0.000 1.022 476 T HN 0.329 nan 8.240 nan 0.000 0.466 477 L N 5.002 126.183 121.223 -0.069 0.000 2.418 477 L HA 0.688 5.028 4.340 0.000 0.000 0.265 477 L C -0.714 176.016 176.870 -0.233 0.000 1.143 477 L CA 0.019 54.610 54.840 -0.414 0.000 0.809 477 L CB 1.183 42.956 42.059 -0.477 0.000 1.124 477 L HN 0.470 nan 8.230 nan 0.000 0.456 478 V N 2.941 122.703 119.914 -0.255 0.000 2.581 478 V HA 0.505 4.625 4.120 0.000 0.000 0.303 478 V C -0.025 176.003 176.094 -0.110 0.000 1.041 478 V CA -0.522 61.705 62.300 -0.122 0.000 0.907 478 V CB 1.942 33.727 31.823 -0.062 0.000 0.994 478 V HN 0.983 nan 8.190 nan 0.000 0.442 479 S N 2.833 118.495 115.700 -0.063 0.000 2.584 479 S HA 0.120 4.591 4.470 0.000 0.000 0.270 479 S C 1.272 175.860 174.600 -0.021 0.000 1.346 479 S CA 0.143 58.319 58.200 -0.040 0.000 1.018 479 S CB 1.099 64.285 63.200 -0.024 0.000 0.899 479 S HN 0.687 nan 8.310 nan 0.000 0.542 480 S N 1.377 117.073 115.700 -0.006 0.000 2.365 480 S HA -0.134 4.336 4.470 0.000 0.000 0.225 480 S C 1.954 176.560 174.600 0.011 0.000 1.039 480 S CA 1.423 59.629 58.200 0.009 0.000 1.033 480 S CB -0.804 62.405 63.200 0.015 0.000 0.887 480 S HN 0.612 nan 8.310 nan 0.000 0.447 481 V N 1.967 121.884 119.914 0.006 0.000 2.392 481 V HA -0.193 3.928 4.120 0.000 0.000 0.249 481 V C 2.358 178.455 176.094 0.006 0.000 1.059 481 V CA 1.944 64.248 62.300 0.006 0.000 1.051 481 V CB -1.024 30.800 31.823 0.003 0.000 0.658 481 V HN 0.453 nan 8.190 nan 0.000 0.455 482 S N -0.572 115.129 115.700 0.002 0.000 2.440 482 S HA -0.000 4.470 4.470 0.000 0.000 0.238 482 S C 0.901 175.508 174.600 0.012 0.000 1.010 482 S CA 0.996 59.197 58.200 0.001 0.000 0.972 482 S CB -0.295 62.902 63.200 -0.006 0.000 0.774 482 S HN 0.481 nan 8.310 nan 0.000 0.501 483 I N 0.000 120.583 120.570 0.022 0.000 2.984 483 I HA 0.000 4.170 4.170 0.000 0.000 0.288 483 I CA 0.000 61.325 61.300 0.041 0.000 1.566 483 I CB 0.000 38.035 38.000 0.057 0.000 1.214 483 I HN 0.000 nan 8.210 nan 0.000 0.494