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 2awn_1_B DATA FIRST_RESID 2 DATA SEQUENCE ASVQLQNVTK AWGEVVVSKD INLDIHEGEF VVFVGPSGCG KSTLLRMIAG DATA SEQUENCE LETITSGDLF IGEKRMNDTP PAERGVGMVF QSYALYPHLS VAENMSFGLK DATA SEQUENCE LAGAKKEVIN QRVNQVAEVL QLAHLLDRKP KALSGGQRQR VAIGRTLVAE DATA SEQUENCE PSVFLLDEPL SNLDAALRVQ MRIEISRLHK RLGRTMIYVT HDQVEAMTLA DATA SEQUENCE DKIVVLDAGR VAQVGKPLEL YHYPADRFVA GFIGSPKMNF LPVKVTATAI DATA SEQUENCE DQVQVELPMP NRQQVWLPVE SRDVQVGANM SLGIRPEHLL PSDIADVILE DATA SEQUENCE GEVQVVEQLG NETQIHIQIP SIRQNLVYRQ NDVVLVEEGA TFAIGLPPER DATA SEQUENCE CHLFREDGTA CRRLHKEPGV ASAS 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 0.000 177.626 177.584 0.070 0.000 1.274 2 A CA 0.000 52.077 52.037 0.066 0.000 0.836 2 A CB 0.000 19.040 19.000 0.067 0.000 0.831 3 S N -0.645 115.102 115.700 0.078 0.000 2.994 3 S HA 0.061 4.518 4.470 -0.023 0.000 0.848 3 S C -0.637 174.007 174.600 0.074 0.000 0.929 3 S CA 0.413 58.658 58.200 0.075 0.000 1.388 3 S CB -1.063 62.183 63.200 0.078 0.000 1.001 3 S HN 2.144 nan 8.310 nan 0.000 0.347 4 V N 6.833 126.785 119.914 0.063 0.000 2.638 4 V HA 0.620 4.727 4.120 -0.023 0.000 0.306 4 V C -0.034 176.110 176.094 0.082 0.000 1.052 4 V CA -0.626 61.726 62.300 0.087 0.000 0.885 4 V CB 2.064 33.940 31.823 0.087 0.000 0.999 4 V HN 0.859 nan 8.190 nan 0.000 0.424 5 Q N 3.893 123.777 119.800 0.140 0.000 2.337 5 Q HA 0.681 5.008 4.340 -0.023 0.000 0.270 5 Q C -1.736 174.376 176.000 0.186 0.000 1.043 5 Q CA -0.768 55.118 55.803 0.138 0.000 0.794 5 Q CB 2.897 31.708 28.738 0.122 0.000 1.281 5 Q HN 0.512 nan 8.270 nan 0.000 0.446 6 L N 2.667 123.962 121.223 0.121 0.000 2.298 6 L HA 0.327 4.653 4.340 -0.023 0.000 0.284 6 L C -0.620 176.304 176.870 0.090 0.000 1.013 6 L CA 0.020 54.919 54.840 0.098 0.000 0.824 6 L CB 1.613 43.703 42.059 0.052 0.000 1.221 6 L HN 0.493 nan 8.230 nan 0.000 0.418 7 Q N 4.308 124.178 119.800 0.117 0.000 2.381 7 Q HA 0.356 4.682 4.340 -0.023 0.000 0.263 7 Q C -0.332 175.701 176.000 0.054 0.000 1.030 7 Q CA -0.561 55.301 55.803 0.098 0.000 0.772 7 Q CB 1.030 29.870 28.738 0.171 0.000 1.232 7 Q HN 0.523 nan 8.270 nan 0.000 0.476 8 N N 0.250 118.964 118.700 0.025 0.000 2.721 8 N HA -0.162 4.564 4.740 -0.023 0.000 0.249 8 N C -0.523 174.979 175.510 -0.012 0.000 1.072 8 N CA 0.459 53.511 53.050 0.003 0.000 0.710 8 N CB -1.090 37.400 38.487 0.006 0.000 0.993 8 N HN 0.311 nan 8.380 nan 0.000 0.547 9 V N 1.004 120.909 119.914 -0.015 0.000 2.529 9 V HA 0.084 4.190 4.120 -0.023 0.000 0.292 9 V C 1.023 177.086 176.094 -0.052 0.000 1.028 9 V CA 0.681 62.961 62.300 -0.034 0.000 1.074 9 V CB 1.299 33.105 31.823 -0.029 0.000 0.958 9 V HN 0.195 nan 8.190 nan 0.000 0.481 10 T N 5.320 119.834 114.554 -0.066 0.000 2.900 10 T HA 0.622 4.959 4.350 -0.023 0.000 0.295 10 T C -0.719 173.912 174.700 -0.116 0.000 1.044 10 T CA -0.813 61.238 62.100 -0.081 0.000 0.995 10 T CB 1.933 70.758 68.868 -0.072 0.000 1.072 10 T HN 0.603 nan 8.240 nan 0.000 0.473 11 K N 1.178 121.497 120.400 -0.135 0.000 2.468 11 K HA 0.828 5.134 4.320 -0.023 0.000 0.252 11 K C -1.760 174.687 176.600 -0.257 0.000 0.932 11 K CA -0.576 55.577 56.287 -0.222 0.000 0.794 11 K CB 1.706 34.089 32.500 -0.195 0.000 1.241 11 K HN 0.792 nan 8.250 nan 0.000 0.428 12 A N 3.341 125.923 122.820 -0.397 0.000 2.520 12 A HA 0.676 4.982 4.320 -0.023 0.000 0.298 12 A C -2.007 175.283 177.584 -0.490 0.000 1.051 12 A CA -0.769 51.078 52.037 -0.316 0.000 0.690 12 A CB 0.749 19.654 19.000 -0.157 0.000 1.281 12 A HN 0.663 nan 8.150 nan 0.000 0.402 13 W N 2.514 123.801 121.300 -0.021 0.000 2.299 13 W HA 0.518 5.164 4.660 -0.023 0.000 0.319 13 W C 0.964 177.472 176.519 -0.018 0.000 1.008 13 W CA 0.915 58.248 57.345 -0.019 0.000 1.384 13 W CB 1.509 30.957 29.460 -0.020 0.000 1.220 13 W HN 1.667 nan 8.180 nan 0.000 0.402 14 G N 2.543 111.428 108.800 0.142 0.000 2.543 14 G HA2 -0.415 3.531 3.960 -0.023 0.000 0.286 14 G HA3 -0.415 3.531 3.960 -0.023 0.000 0.286 14 G C 0.908 175.835 174.900 0.045 0.000 1.153 14 G CA 0.733 45.886 45.100 0.088 0.000 0.968 14 G HN 0.659 nan 8.290 nan 0.000 0.544 15 E N -0.237 119.991 120.200 0.046 0.000 2.476 15 E HA 0.461 4.797 4.350 -0.023 0.000 0.196 15 E C 0.424 177.041 176.600 0.028 0.000 1.029 15 E CA 0.053 56.467 56.400 0.023 0.000 0.896 15 E CB 0.519 30.229 29.700 0.016 0.000 1.012 15 E HN 0.435 nan 8.360 nan 0.000 0.475 16 V N 2.142 122.092 119.914 0.061 0.000 2.432 16 V HA 0.157 4.264 4.120 -0.023 0.000 0.275 16 V C -0.009 176.120 176.094 0.057 0.000 1.043 16 V CA -0.769 61.574 62.300 0.071 0.000 0.925 16 V CB 1.576 33.469 31.823 0.116 0.000 0.985 16 V HN 0.088 nan 8.190 nan 0.000 0.466 17 V N 6.212 126.140 119.914 0.022 0.000 2.407 17 V HA 0.221 4.327 4.120 -0.023 0.000 0.278 17 V C 0.769 176.873 176.094 0.017 0.000 1.037 17 V CA 0.061 62.356 62.300 -0.009 0.000 0.900 17 V CB 1.483 33.289 31.823 -0.029 0.000 0.983 17 V HN 0.807 nan 8.190 nan 0.000 0.459 18 V N 1.225 121.155 119.914 0.026 0.000 3.621 18 V HA 0.387 4.494 4.120 -0.023 0.000 0.263 18 V C 0.621 176.717 176.094 0.003 0.000 1.272 18 V CA 0.329 62.663 62.300 0.057 0.000 1.080 18 V CB 0.710 32.643 31.823 0.182 0.000 0.816 18 V HN 0.641 nan 8.190 nan 0.000 0.451 19 S N 1.279 116.959 115.700 -0.033 0.000 2.779 19 S HA 0.488 4.944 4.470 -0.023 0.000 0.293 19 S C -0.733 173.827 174.600 -0.066 0.000 1.150 19 S CA -0.551 57.615 58.200 -0.056 0.000 1.057 19 S CB 1.519 64.684 63.200 -0.059 0.000 1.021 19 S HN 0.496 nan 8.310 nan 0.000 0.485 20 K N 2.471 122.830 120.400 -0.068 0.000 2.316 20 K HA 0.193 4.499 4.320 -0.023 0.000 0.267 20 K C -0.901 175.664 176.600 -0.059 0.000 1.025 20 K CA -0.419 55.831 56.287 -0.062 0.000 0.896 20 K CB 0.342 32.807 32.500 -0.059 0.000 1.124 20 K HN 0.517 nan 8.250 nan 0.000 0.451 21 D N 2.924 123.293 120.400 -0.051 0.000 2.755 21 D HA -0.238 4.389 4.640 -0.023 0.000 0.227 21 D C -0.248 176.027 176.300 -0.042 0.000 1.211 21 D CA 0.979 54.955 54.000 -0.040 0.000 0.663 21 D CB -1.060 39.722 40.800 -0.030 0.000 0.983 21 D HN 0.546 nan 8.370 nan 0.000 0.407 22 I N 1.058 121.595 120.570 -0.054 0.000 2.533 22 I HA -0.036 4.120 4.170 -0.023 0.000 0.284 22 I C 0.896 176.992 176.117 -0.035 0.000 1.109 22 I CA 0.357 61.618 61.300 -0.066 0.000 1.412 22 I CB 0.411 38.351 38.000 -0.101 0.000 1.396 22 I HN -0.027 nan 8.210 nan 0.000 0.543 23 N N 7.867 126.551 118.700 -0.027 0.000 2.524 23 N HA 0.459 5.185 4.740 -0.023 0.000 0.261 23 N C -1.415 174.095 175.510 0.001 0.000 0.998 23 N CA -0.500 52.549 53.050 -0.002 0.000 0.915 23 N CB 2.079 40.569 38.487 0.005 0.000 1.187 23 N HN 0.241 nan 8.380 nan 0.000 0.507 24 L N 1.521 122.752 121.223 0.013 0.000 2.445 24 L HA 0.408 4.734 4.340 -0.023 0.000 0.262 24 L C -0.591 176.285 176.870 0.009 0.000 0.974 24 L CA -0.436 54.416 54.840 0.021 0.000 0.822 24 L CB 2.311 44.395 42.059 0.042 0.000 1.339 24 L HN 0.381 nan 8.230 nan 0.000 0.409 25 D N 3.486 123.862 120.400 -0.040 0.000 2.446 25 D HA 0.293 4.919 4.640 -0.023 0.000 0.251 25 D C -0.516 175.605 176.300 -0.299 0.000 1.137 25 D CA -0.319 53.592 54.000 -0.148 0.000 0.890 25 D CB 0.882 41.585 40.800 -0.162 0.000 1.071 25 D HN 0.151 nan 8.370 nan 0.000 0.528 26 I N 4.520 124.992 120.570 -0.162 0.000 2.322 26 I HA 0.120 4.276 4.170 -0.023 0.000 0.292 26 I C 0.926 176.942 176.117 -0.167 0.000 1.060 26 I CA -0.402 60.831 61.300 -0.111 0.000 1.309 26 I CB 0.163 38.180 38.000 0.028 0.000 1.415 26 I HN 0.240 nan 8.210 nan 0.000 0.492 27 H N 4.751 123.872 119.070 0.086 0.000 2.615 27 H HA 0.157 4.699 4.556 -0.023 0.000 0.363 27 H C 0.406 175.782 175.328 0.080 0.000 1.148 27 H CA -0.317 55.776 56.048 0.075 0.000 1.401 27 H CB 1.029 30.833 29.762 0.070 0.000 1.461 27 H HN 0.450 nan 8.280 nan 0.000 0.588 28 E N 0.794 121.115 120.200 0.202 0.000 2.652 28 E HA -0.064 4.273 4.350 -0.023 0.000 0.255 28 E C 0.941 177.630 176.600 0.148 0.000 0.952 28 E CA 1.124 57.609 56.400 0.142 0.000 0.947 28 E CB 0.327 30.095 29.700 0.113 0.000 0.912 28 E HN 0.977 nan 8.360 nan 0.000 0.489 29 G N 3.950 112.838 108.800 0.147 0.000 2.184 29 G HA2 -0.340 3.607 3.960 -0.023 0.000 0.264 29 G HA3 -0.340 3.607 3.960 -0.023 0.000 0.264 29 G C 0.380 175.447 174.900 0.278 0.000 0.975 29 G CA 0.646 45.856 45.100 0.184 0.000 0.642 29 G HN 0.566 nan 8.290 nan 0.000 0.536 30 E N -0.609 119.719 120.200 0.213 0.000 2.390 30 E HA 0.513 4.850 4.350 -0.023 0.000 0.261 30 E C -0.719 175.946 176.600 0.109 0.000 1.076 30 E CA -0.867 55.657 56.400 0.207 0.000 0.905 30 E CB 0.224 30.036 29.700 0.187 0.000 0.984 30 E HN 0.110 nan 8.360 nan 0.000 0.427 31 F N 4.808 124.694 119.950 -0.106 0.000 2.311 31 F HA 0.290 4.807 4.527 -0.016 0.000 0.371 31 F C -1.151 174.567 175.800 -0.137 0.000 1.083 31 F CA -0.800 57.020 58.000 -0.300 0.000 1.113 31 F CB 0.605 39.232 39.000 -0.620 0.000 1.349 31 F HN 0.095 nan 8.300 nan 0.000 0.470 32 V N 6.334 126.349 119.914 0.168 0.000 2.394 32 V HA 0.469 4.576 4.120 -0.023 0.000 0.282 32 V C -0.364 175.793 176.094 0.104 0.000 1.031 32 V CA -0.830 61.559 62.300 0.149 0.000 0.881 32 V CB 1.488 33.374 31.823 0.104 0.000 0.982 32 V HN 0.380 nan 8.190 nan 0.000 0.451 33 V N 5.451 125.470 119.914 0.176 0.000 2.417 33 V HA 0.492 4.598 4.120 -0.023 0.000 0.291 33 V C -0.377 175.917 176.094 0.333 0.000 1.024 33 V CA -0.464 61.946 62.300 0.184 0.000 0.861 33 V CB 1.506 33.425 31.823 0.161 0.000 0.985 33 V HN 0.668 nan 8.190 nan 0.000 0.436 34 F N 4.613 124.678 119.950 0.193 0.000 2.410 34 F HA 0.701 5.215 4.527 -0.022 0.000 0.349 34 F C 0.225 176.125 175.800 0.167 0.000 1.117 34 F CA -0.999 57.089 58.000 0.146 0.000 1.104 34 F CB 1.894 40.961 39.000 0.112 0.000 1.122 34 F HN 0.430 nan 8.300 nan 0.000 0.483 35 V N 0.662 120.785 119.914 0.347 0.000 3.040 35 V HA 1.092 5.199 4.120 -0.023 0.000 0.312 35 V C -0.477 175.687 176.094 0.117 0.000 1.115 35 V CA -0.638 61.850 62.300 0.314 0.000 0.998 35 V CB 1.430 33.522 31.823 0.449 0.000 1.042 35 V HN 1.032 nan 8.190 nan 0.000 0.433 36 G N 1.749 110.585 108.800 0.060 0.000 2.339 36 G HA2 0.478 4.424 3.960 -0.023 0.000 0.302 36 G HA3 0.478 4.424 3.960 -0.023 0.000 0.302 36 G C -3.549 171.388 174.900 0.061 0.000 1.425 36 G CA -0.205 44.726 45.100 -0.281 0.000 0.899 36 G HN 0.801 nan 8.290 nan 0.000 0.619 37 P HA 0.295 nan 4.420 nan 0.000 0.272 37 P C 0.284 177.669 177.300 0.142 0.000 1.240 37 P CA 0.002 63.220 63.100 0.197 0.000 0.791 37 P CB 0.713 32.526 31.700 0.190 0.000 0.978 38 S N -0.139 115.634 115.700 0.122 0.000 2.537 38 S HA 0.359 4.815 4.470 -0.023 0.000 0.286 38 S C 1.436 176.069 174.600 0.055 0.000 1.299 38 S CA 1.134 59.387 58.200 0.090 0.000 1.067 38 S CB -0.600 62.631 63.200 0.051 0.000 0.864 38 S HN 0.914 nan 8.310 nan 0.000 0.494 39 G N 0.984 109.811 108.800 0.045 0.000 2.179 39 G HA2 -0.291 3.655 3.960 -0.023 0.000 0.220 39 G HA3 -0.291 3.655 3.960 -0.023 0.000 0.220 39 G C 0.956 175.863 174.900 0.012 0.000 0.990 39 G CA 0.034 45.148 45.100 0.022 0.000 0.646 39 G HN 1.121 nan 8.290 nan 0.000 0.517 40 C N 0.255 119.564 119.300 0.013 0.000 2.562 40 C HA 0.587 5.033 4.460 -0.023 0.000 0.266 40 C C 2.173 177.155 174.990 -0.014 0.000 1.382 40 C CA 0.706 59.709 59.018 -0.025 0.000 1.742 40 C CB -0.858 26.852 27.740 -0.050 0.000 1.812 40 C HN 2.373 nan 8.230 nan 0.000 0.559 41 G N 0.813 109.627 108.800 0.024 0.000 2.135 41 G HA2 -0.197 3.750 3.960 -0.023 0.000 0.183 41 G HA3 -0.197 3.750 3.960 -0.023 0.000 0.183 41 G C 0.696 175.630 174.900 0.058 0.000 1.004 41 G CA 0.331 45.454 45.100 0.038 0.000 0.677 41 G HN 0.567 nan 8.290 nan 0.000 0.512 42 K N 0.383 120.837 120.400 0.090 0.000 2.001 42 K HA -0.000 4.306 4.320 -0.023 0.000 0.208 42 K C 2.639 179.337 176.600 0.162 0.000 1.048 42 K CA 1.669 58.052 56.287 0.160 0.000 0.932 42 K CB -0.268 32.342 32.500 0.185 0.000 0.715 42 K HN 0.279 nan 8.250 nan 0.000 0.437 43 S N 0.555 116.318 115.700 0.106 0.000 2.382 43 S HA -0.117 4.340 4.470 -0.023 0.000 0.228 43 S C 2.016 176.666 174.600 0.083 0.000 1.027 43 S CA 1.626 59.870 58.200 0.074 0.000 0.991 43 S CB -0.345 62.865 63.200 0.017 0.000 0.823 43 S HN 0.338 nan 8.310 nan 0.000 0.469 44 T N 2.645 117.257 114.554 0.095 0.000 2.788 44 T HA -0.011 4.326 4.350 -0.023 0.000 0.268 44 T C 1.717 176.478 174.700 0.102 0.000 1.044 44 T CA 0.862 63.034 62.100 0.121 0.000 1.139 44 T CB -0.364 68.602 68.868 0.163 0.000 0.867 44 T HN 0.233 nan 8.240 nan 0.000 0.454 45 L N 0.362 121.647 121.223 0.103 0.000 2.027 45 L HA -0.015 4.312 4.340 -0.023 0.000 0.206 45 L C 2.359 179.329 176.870 0.166 0.000 1.074 45 L CA 1.258 56.163 54.840 0.109 0.000 0.745 45 L CB -0.272 41.840 42.059 0.089 0.000 0.898 45 L HN 0.279 nan 8.230 nan 0.000 0.433 46 L N -0.755 120.584 121.223 0.194 0.000 2.083 46 L HA -0.228 4.098 4.340 -0.023 0.000 0.209 46 L C 2.728 179.662 176.870 0.107 0.000 1.083 46 L CA 1.234 56.169 54.840 0.157 0.000 0.752 46 L CB -0.470 41.660 42.059 0.117 0.000 0.899 46 L HN 0.275 nan 8.230 nan 0.000 0.433 47 R N -0.669 119.885 120.500 0.091 0.000 2.115 47 R HA -0.104 4.222 4.340 -0.023 0.000 0.230 47 R C 2.297 178.637 176.300 0.067 0.000 1.111 47 R CA 1.132 57.276 56.100 0.074 0.000 0.976 47 R CB -0.147 30.193 30.300 0.066 0.000 0.870 47 R HN 0.363 nan 8.270 nan 0.000 0.445 48 M N -0.001 119.637 119.600 0.064 0.000 2.200 48 M HA -0.107 4.360 4.480 -0.023 0.000 0.265 48 M C 2.098 178.420 176.300 0.037 0.000 1.066 48 M CA 1.553 56.874 55.300 0.035 0.000 1.127 48 M CB -0.139 32.471 32.600 0.016 0.000 1.379 48 M HN 0.120 nan 8.290 nan 0.000 0.420 49 I N 0.096 120.704 120.570 0.064 0.000 2.252 49 I HA -0.210 3.946 4.170 -0.023 0.000 0.245 49 I C 2.612 178.758 176.117 0.047 0.000 1.102 49 I CA 1.181 62.519 61.300 0.063 0.000 1.385 49 I CB -0.594 37.463 38.000 0.095 0.000 1.064 49 I HN 0.213 nan 8.210 nan 0.000 0.414 50 A N 0.352 123.206 122.820 0.056 0.000 2.066 50 A HA 0.154 4.460 4.320 -0.023 0.000 0.218 50 A C 1.969 179.579 177.584 0.043 0.000 1.157 50 A CA 1.176 53.245 52.037 0.052 0.000 0.670 50 A CB -0.693 18.351 19.000 0.073 0.000 0.804 50 A HN 0.617 nan 8.150 nan 0.000 0.453 51 G N -1.749 107.073 108.800 0.036 0.000 2.131 51 G HA2 -0.198 3.748 3.960 -0.023 0.000 0.223 51 G HA3 -0.198 3.748 3.960 -0.023 0.000 0.223 51 G C 0.545 175.467 174.900 0.036 0.000 0.990 51 G CA 0.336 45.450 45.100 0.025 0.000 0.671 51 G HN 0.448 nan 8.290 nan 0.000 0.521 52 L N -0.566 120.687 121.223 0.050 0.000 2.567 52 L HA 0.365 4.691 4.340 -0.023 0.000 0.225 52 L C 0.628 177.538 176.870 0.067 0.000 1.119 52 L CA 0.473 55.348 54.840 0.058 0.000 0.871 52 L CB 0.086 42.184 42.059 0.065 0.000 1.036 52 L HN 0.165 nan 8.230 nan 0.000 0.459 53 E N -0.004 120.232 120.200 0.060 0.000 2.356 53 E HA 0.304 4.640 4.350 -0.023 0.000 0.275 53 E C -0.600 176.003 176.600 0.004 0.000 0.904 53 E CA -0.321 56.121 56.400 0.070 0.000 0.757 53 E CB 2.163 31.929 29.700 0.110 0.000 1.232 53 E HN -0.076 nan 8.360 nan 0.000 0.442 54 T N -1.106 113.424 114.554 -0.040 0.000 2.904 54 T HA 0.469 4.806 4.350 -0.023 0.000 0.290 54 T C 0.720 175.345 174.700 -0.124 0.000 1.018 54 T CA -0.721 61.333 62.100 -0.077 0.000 1.075 54 T CB 0.612 69.427 68.868 -0.087 0.000 0.986 54 T HN 0.255 nan 8.240 nan 0.000 0.523 55 I N 3.263 123.769 120.570 -0.106 0.000 2.312 55 I HA 0.116 4.272 4.170 -0.023 0.000 0.291 55 I C 1.608 177.646 176.117 -0.131 0.000 1.031 55 I CA -0.183 61.047 61.300 -0.115 0.000 1.293 55 I CB 0.777 38.724 38.000 -0.089 0.000 1.403 55 I HN 0.886 nan 8.210 nan 0.000 0.484 56 T N 4.448 118.903 114.554 -0.166 0.000 2.622 56 T HA -0.099 4.238 4.350 -0.023 0.000 0.266 56 T C 0.870 175.506 174.700 -0.107 0.000 1.047 56 T CA 1.600 63.606 62.100 -0.156 0.000 1.159 56 T CB 0.028 68.787 68.868 -0.181 0.000 0.863 56 T HN 0.780 nan 8.240 nan 0.000 0.422 57 S N -1.112 114.532 115.700 -0.093 0.000 2.579 57 S HA 0.669 5.126 4.470 -0.023 0.000 0.272 57 S C -0.316 174.250 174.600 -0.058 0.000 1.141 57 S CA -0.173 57.986 58.200 -0.068 0.000 0.843 57 S CB 2.047 65.213 63.200 -0.057 0.000 1.122 57 S HN 1.115 nan 8.310 nan 0.000 0.468 58 G N 1.003 109.778 108.800 -0.043 0.000 2.525 58 G HA2 0.252 4.198 3.960 -0.023 0.000 0.685 58 G HA3 0.252 4.198 3.960 -0.023 0.000 0.685 58 G C -1.984 172.890 174.900 -0.043 0.000 1.290 58 G CA -0.489 44.595 45.100 -0.027 0.000 0.915 58 G HN 0.964 nan 8.290 nan 0.000 0.548 59 D N -0.839 119.548 120.400 -0.022 0.000 2.481 59 D HA 0.620 5.246 4.640 -0.023 0.000 0.244 59 D C -0.422 175.809 176.300 -0.116 0.000 1.057 59 D CA -0.446 53.485 54.000 -0.116 0.000 0.848 59 D CB 2.316 43.063 40.800 -0.088 0.000 1.388 59 D HN 0.602 nan 8.370 nan 0.000 0.475 60 L N 2.311 123.364 121.223 -0.283 0.000 2.333 60 L HA 0.644 4.970 4.340 -0.023 0.000 0.280 60 L C -1.932 174.727 176.870 -0.352 0.000 1.004 60 L CA -0.372 54.368 54.840 -0.165 0.000 0.820 60 L CB 0.546 42.545 42.059 -0.099 0.000 1.247 60 L HN 0.295 nan 8.230 nan 0.000 0.416 61 F N 5.807 125.764 119.950 0.012 0.000 2.507 61 F HA 0.630 5.143 4.527 -0.023 0.000 0.325 61 F C -0.145 175.665 175.800 0.018 0.000 1.116 61 F CA -0.630 57.378 58.000 0.013 0.000 0.930 61 F CB 1.882 40.890 39.000 0.013 0.000 1.146 61 F HN 0.206 nan 8.300 nan 0.000 0.447 62 I N 2.363 123.041 120.570 0.180 0.000 2.478 62 I HA 0.322 4.479 4.170 -0.023 0.000 0.287 62 I C 0.588 176.774 176.117 0.114 0.000 1.042 62 I CA -0.557 60.814 61.300 0.118 0.000 1.067 62 I CB 1.403 39.442 38.000 0.065 0.000 1.233 62 I HN 0.836 nan 8.210 nan 0.000 0.431 63 G N 4.905 113.765 108.800 0.101 0.000 2.225 63 G HA2 -0.289 3.657 3.960 -0.023 0.000 0.267 63 G HA3 -0.289 3.657 3.960 -0.023 0.000 0.267 63 G C 0.528 175.485 174.900 0.095 0.000 1.024 63 G CA 0.832 45.982 45.100 0.082 0.000 0.784 63 G HN 0.888 nan 8.290 nan 0.000 0.507 64 E N -2.836 117.440 120.200 0.127 0.000 4.153 64 E HA -0.197 4.139 4.350 -0.023 0.000 0.376 64 E C 0.754 177.512 176.600 0.262 0.000 0.598 64 E CA 1.669 58.143 56.400 0.123 0.000 1.343 64 E CB -0.895 28.842 29.700 0.062 0.000 1.793 64 E HN 0.762 nan 8.360 nan 0.000 0.392 65 K N 1.345 121.895 120.400 0.250 0.000 2.123 65 K HA 0.490 4.797 4.320 -0.023 0.000 0.259 65 K C 0.007 176.700 176.600 0.155 0.000 0.960 65 K CA -0.727 55.691 56.287 0.217 0.000 0.872 65 K CB 1.623 34.181 32.500 0.097 0.000 1.079 65 K HN -0.006 nan 8.250 nan 0.000 0.440 66 R N 2.125 122.607 120.500 -0.029 0.000 2.491 66 R HA 0.080 4.407 4.340 -0.023 0.000 0.283 66 R C 0.323 176.497 176.300 -0.209 0.000 1.072 66 R CA 0.124 55.974 56.100 -0.416 0.000 1.048 66 R CB 0.455 30.508 30.300 -0.413 0.000 0.983 66 R HN 0.629 nan 8.270 nan 0.000 0.450 67 M N 2.911 122.378 119.600 -0.221 0.000 2.306 67 M HA 0.045 4.511 4.480 -0.023 0.000 0.292 67 M C 0.853 177.090 176.300 -0.105 0.000 1.018 67 M CA 0.128 55.360 55.300 -0.113 0.000 1.007 67 M CB -0.220 32.342 32.600 -0.064 0.000 1.510 67 M HN 0.668 nan 8.290 nan 0.000 0.537 68 N N 1.807 120.419 118.700 -0.146 0.000 2.073 68 N HA -0.215 4.511 4.740 -0.023 0.000 0.199 68 N C 0.390 175.856 175.510 -0.072 0.000 1.023 68 N CA 1.923 54.907 53.050 -0.110 0.000 0.880 68 N CB -0.048 38.363 38.487 -0.126 0.000 1.052 68 N HN 0.443 nan 8.380 nan 0.000 0.449 69 D N 0.107 120.467 120.400 -0.067 0.000 2.349 69 D HA 0.043 4.670 4.640 -0.023 0.000 0.214 69 D C 0.123 176.405 176.300 -0.030 0.000 1.063 69 D CA 0.241 54.215 54.000 -0.044 0.000 0.847 69 D CB 0.134 40.910 40.800 -0.041 0.000 0.933 69 D HN 0.103 nan 8.370 nan 0.000 0.513 70 T N 3.658 118.193 114.554 -0.032 0.000 2.901 70 T HA 0.201 4.538 4.350 -0.023 0.000 0.301 70 T C -2.213 172.482 174.700 -0.007 0.000 1.012 70 T CA -1.045 61.045 62.100 -0.018 0.000 1.135 70 T CB 1.543 70.400 68.868 -0.018 0.000 0.936 70 T HN 0.035 nan 8.240 nan 0.000 0.539 71 P HA 0.199 nan 4.420 nan 0.000 0.275 71 P C -2.198 175.112 177.300 0.016 0.000 1.227 71 P CA -1.668 61.438 63.100 0.010 0.000 0.781 71 P CB 0.609 32.316 31.700 0.012 0.000 0.906 72 P HA -0.288 nan 4.420 nan 0.000 0.222 72 P C 1.391 178.710 177.300 0.032 0.000 1.159 72 P CA 2.773 65.894 63.100 0.035 0.000 0.920 72 P CB -0.517 31.215 31.700 0.052 0.000 0.793 73 A N -1.085 121.756 122.820 0.034 0.000 2.209 73 A HA -0.130 4.177 4.320 -0.023 0.000 0.212 73 A C 1.551 179.143 177.584 0.013 0.000 1.158 73 A CA 1.128 53.182 52.037 0.029 0.000 0.742 73 A CB -0.828 18.194 19.000 0.037 0.000 0.790 73 A HN 0.290 nan 8.150 nan 0.000 0.472 74 E N -0.935 119.271 120.200 0.010 0.000 2.501 74 E HA 0.117 4.453 4.350 -0.023 0.000 0.200 74 E C 1.080 177.680 176.600 0.001 0.000 1.016 74 E CA -0.239 56.163 56.400 0.003 0.000 0.921 74 E CB 0.326 30.028 29.700 0.003 0.000 1.034 74 E HN 0.498 nan 8.360 nan 0.000 0.468 75 R N -0.132 120.369 120.500 0.002 0.000 2.312 75 R HA 0.111 4.437 4.340 -0.023 0.000 0.205 75 R C 1.024 177.321 176.300 -0.004 0.000 0.904 75 R CA 0.551 56.652 56.100 0.001 0.000 1.052 75 R CB 0.614 30.918 30.300 0.005 0.000 1.014 75 R HN 0.191 nan 8.270 nan 0.000 0.503 76 G N 1.620 110.411 108.800 -0.015 0.000 2.147 76 G HA2 -0.257 3.689 3.960 -0.023 0.000 0.244 76 G HA3 -0.257 3.689 3.960 -0.023 0.000 0.244 76 G C 0.105 174.970 174.900 -0.059 0.000 1.005 76 G CA 0.332 45.413 45.100 -0.033 0.000 0.713 76 G HN 0.281 nan 8.290 nan 0.000 0.515 77 V N -2.163 117.720 119.914 -0.052 0.000 2.769 77 V HA 1.037 5.144 4.120 -0.023 0.000 0.312 77 V C 0.433 176.470 176.094 -0.095 0.000 1.058 77 V CA -0.237 62.019 62.300 -0.074 0.000 0.952 77 V CB 2.205 34.015 31.823 -0.022 0.000 1.019 77 V HN 1.437 nan 8.190 nan 0.000 0.445 78 G N 3.285 111.993 108.800 -0.152 0.000 2.590 78 G HA2 0.666 4.612 3.960 -0.023 0.000 0.310 78 G HA3 0.666 4.612 3.960 -0.023 0.000 0.310 78 G C -1.187 173.669 174.900 -0.074 0.000 1.347 78 G CA -0.778 44.236 45.100 -0.144 0.000 0.963 78 G HN 1.111 nan 8.290 nan 0.000 0.494 79 M N 3.203 122.793 119.600 -0.017 0.000 2.395 79 M HA 0.748 5.215 4.480 -0.023 0.000 0.307 79 M C -1.607 174.658 176.300 -0.058 0.000 1.091 79 M CA -0.923 54.396 55.300 0.031 0.000 0.919 79 M CB 2.406 35.089 32.600 0.138 0.000 1.662 79 M HN 0.495 nan 8.290 nan 0.000 0.440 80 V N 6.171 126.040 119.914 -0.075 0.000 2.876 80 V HA 0.881 4.988 4.120 -0.023 0.000 0.312 80 V C -1.743 174.336 176.094 -0.025 0.000 1.085 80 V CA -0.370 61.752 62.300 -0.296 0.000 0.945 80 V CB 2.125 33.760 31.823 -0.313 0.000 1.017 80 V HN 0.923 nan 8.190 nan 0.000 0.428 81 F N 2.017 121.988 119.950 0.034 0.000 2.715 81 F HA 0.576 5.089 4.527 -0.023 0.000 0.318 81 F C -0.463 175.397 175.800 0.099 0.000 1.141 81 F CA -1.201 56.839 58.000 0.067 0.000 0.950 81 F CB 1.376 40.437 39.000 0.101 0.000 1.374 81 F HN 0.623 nan 8.300 nan 0.000 0.477 82 Q N 1.146 121.186 119.800 0.400 0.000 2.348 82 Q HA 0.159 4.486 4.340 -0.023 0.000 0.331 82 Q C 0.210 176.386 176.000 0.293 0.000 1.099 82 Q CA 1.496 57.455 55.803 0.261 0.000 1.021 82 Q CB 0.285 29.147 28.738 0.206 0.000 1.166 82 Q HN 0.942 nan 8.270 nan 0.000 0.393 83 S N 1.860 117.649 115.700 0.150 0.000 3.559 83 S HA -0.257 4.200 4.470 -0.023 0.000 0.369 83 S C -0.536 174.117 174.600 0.088 0.000 0.987 83 S CA 0.776 59.041 58.200 0.107 0.000 1.187 83 S CB -1.721 61.542 63.200 0.105 0.000 0.914 83 S HN 0.646 nan 8.310 nan 0.000 0.480 84 Y N 1.548 121.750 120.300 -0.162 0.000 2.511 84 Y HA 0.338 4.875 4.550 -0.022 0.000 0.332 84 Y C 0.663 176.428 175.900 -0.225 0.000 1.177 84 Y CA 0.473 58.358 58.100 -0.358 0.000 1.422 84 Y CB 0.370 38.515 38.460 -0.524 0.000 1.271 84 Y HN 0.509 nan 8.280 nan 0.000 0.550 85 A N 7.631 130.193 122.820 -0.430 0.000 2.269 85 A HA 0.458 4.765 4.320 -0.023 0.000 0.302 85 A C -0.653 176.749 177.584 -0.303 0.000 1.266 85 A CA -0.658 51.213 52.037 -0.278 0.000 0.894 85 A CB -0.310 18.537 19.000 -0.255 0.000 1.147 85 A HN 0.820 nan 8.150 nan 0.000 0.537 86 L N 1.618 122.727 121.223 -0.191 0.000 2.466 86 L HA 0.223 4.549 4.340 -0.023 0.000 0.257 86 L C -0.349 176.361 176.870 -0.267 0.000 1.189 86 L CA -0.516 54.165 54.840 -0.265 0.000 0.813 86 L CB 0.377 42.355 42.059 -0.135 0.000 1.118 86 L HN 0.663 nan 8.230 nan 0.000 0.471 87 Y N 0.987 121.236 120.300 -0.085 0.000 2.480 87 Y HA 0.085 4.622 4.550 -0.022 0.000 0.341 87 Y C -1.405 174.500 175.900 0.010 0.000 1.031 87 Y CA -1.673 56.402 58.100 -0.041 0.000 1.295 87 Y CB 0.303 38.718 38.460 -0.075 0.000 1.162 87 Y HN 0.455 nan 8.280 nan 0.000 0.523 88 P HA -0.241 nan 4.420 nan 0.000 0.218 88 P C 0.948 178.340 177.300 0.152 0.000 1.146 88 P CA 1.700 64.874 63.100 0.124 0.000 0.813 88 P CB 0.080 31.839 31.700 0.098 0.000 0.778 89 H N -2.581 116.522 119.070 0.056 0.000 2.551 89 H HA 0.194 4.737 4.556 -0.022 0.000 0.271 89 H C 0.117 175.475 175.328 0.050 0.000 0.984 89 H CA -0.077 55.995 56.048 0.040 0.000 1.164 89 H CB -0.288 29.490 29.762 0.025 0.000 1.437 89 H HN 0.020 nan 8.280 nan 0.000 0.550 90 L N 2.213 123.246 121.223 -0.317 0.000 2.334 90 L HA 0.296 4.622 4.340 -0.023 0.000 0.272 90 L C 0.536 177.349 176.870 -0.095 0.000 1.020 90 L CA -0.769 53.901 54.840 -0.284 0.000 0.812 90 L CB 1.907 43.840 42.059 -0.208 0.000 1.264 90 L HN 0.316 nan 8.230 nan 0.000 0.439 91 S N 0.486 116.146 115.700 -0.066 0.000 2.632 91 S HA 0.325 4.781 4.470 -0.023 0.000 0.267 91 S C 1.357 175.942 174.600 -0.024 0.000 1.276 91 S CA -0.695 57.485 58.200 -0.034 0.000 0.998 91 S CB 1.022 64.207 63.200 -0.025 0.000 0.953 91 S HN 0.318 nan 8.310 nan 0.000 0.547 92 V N 1.942 121.839 119.914 -0.029 0.000 2.277 92 V HA -0.301 3.805 4.120 -0.023 0.000 0.253 92 V C 2.996 179.082 176.094 -0.013 0.000 1.067 92 V CA 2.662 64.943 62.300 -0.031 0.000 1.047 92 V CB -1.825 29.967 31.823 -0.050 0.000 0.649 92 V HN 1.044 nan 8.190 nan 0.000 0.447 93 A N -0.877 121.937 122.820 -0.009 0.000 1.940 93 A HA -0.271 4.035 4.320 -0.023 0.000 0.219 93 A C 2.176 179.776 177.584 0.027 0.000 1.176 93 A CA 2.066 54.106 52.037 0.006 0.000 0.631 93 A CB -0.485 18.517 19.000 0.003 0.000 0.814 93 A HN 0.657 nan 8.150 nan 0.000 0.446 94 E N -0.467 119.751 120.200 0.029 0.000 2.107 94 E HA -0.146 4.190 4.350 -0.023 0.000 0.191 94 E C 1.728 178.409 176.600 0.135 0.000 0.982 94 E CA 1.161 57.600 56.400 0.066 0.000 0.809 94 E CB -0.162 29.554 29.700 0.026 0.000 0.756 94 E HN 0.698 nan 8.360 nan 0.000 0.459 95 N N -0.154 118.598 118.700 0.086 0.000 2.381 95 N HA -0.062 4.664 4.740 -0.023 0.000 0.182 95 N C 1.461 177.026 175.510 0.091 0.000 1.025 95 N CA 0.913 54.015 53.050 0.087 0.000 0.888 95 N CB 0.128 38.605 38.487 -0.017 0.000 0.965 95 N HN 0.116 nan 8.380 nan 0.000 0.438 96 M N -0.897 118.743 119.600 0.066 0.000 2.435 96 M HA 0.041 4.507 4.480 -0.023 0.000 0.265 96 M C 1.457 177.804 176.300 0.079 0.000 1.104 96 M CA 0.676 56.006 55.300 0.050 0.000 1.140 96 M CB 0.232 32.844 32.600 0.021 0.000 1.372 96 M HN 0.161 nan 8.290 nan 0.000 0.456 97 S N -0.635 115.124 115.700 0.099 0.000 2.535 97 S HA 0.041 4.497 4.470 -0.023 0.000 0.214 97 S C 1.525 176.188 174.600 0.105 0.000 0.980 97 S CA -0.393 57.854 58.200 0.077 0.000 0.907 97 S CB -0.681 62.547 63.200 0.046 0.000 0.790 97 S HN 0.419 nan 8.310 nan 0.000 0.510 98 F N 3.449 123.428 119.950 0.049 0.000 2.091 98 F HA -0.033 4.480 4.527 -0.023 0.000 0.299 98 F C 2.304 178.145 175.800 0.069 0.000 1.103 98 F CA 1.718 59.770 58.000 0.087 0.000 1.228 98 F CB -0.880 38.241 39.000 0.201 0.000 0.984 98 F HN 0.329 nan 8.300 nan 0.000 0.477 99 G N -0.071 108.849 108.800 0.199 0.000 2.402 99 G HA2 -0.254 3.693 3.960 -0.023 0.000 0.216 99 G HA3 -0.254 3.693 3.960 -0.023 0.000 0.216 99 G C 1.517 176.383 174.900 -0.057 0.000 1.162 99 G CA 0.827 45.970 45.100 0.072 0.000 0.777 99 G HN 0.384 nan 8.290 nan 0.000 0.539 100 L N 0.600 121.800 121.223 -0.038 0.000 2.141 100 L HA 0.111 4.438 4.340 -0.023 0.000 0.209 100 L C 2.692 179.509 176.870 -0.088 0.000 1.094 100 L CA 1.581 56.390 54.840 -0.052 0.000 0.763 100 L CB -0.375 41.670 42.059 -0.023 0.000 0.908 100 L HN 0.130 nan 8.230 nan 0.000 0.437 101 K N -0.836 119.483 120.400 -0.134 0.000 2.057 101 K HA -0.137 4.169 4.320 -0.023 0.000 0.207 101 K C 2.020 178.506 176.600 -0.189 0.000 1.049 101 K CA 1.515 57.706 56.287 -0.161 0.000 0.931 101 K CB -0.311 32.070 32.500 -0.198 0.000 0.714 101 K HN 0.335 nan 8.250 nan 0.000 0.440 102 L N 0.385 121.445 121.223 -0.271 0.000 2.141 102 L HA -0.119 4.207 4.340 -0.023 0.000 0.209 102 L C 2.346 179.144 176.870 -0.119 0.000 1.094 102 L CA 0.872 55.585 54.840 -0.212 0.000 0.763 102 L CB -0.488 41.421 42.059 -0.250 0.000 0.908 102 L HN 0.163 nan 8.230 nan 0.000 0.437 103 A N 0.063 122.822 122.820 -0.102 0.000 2.235 103 A HA 0.319 4.625 4.320 -0.023 0.000 0.208 103 A C 1.253 178.803 177.584 -0.057 0.000 1.172 103 A CA 0.654 52.652 52.037 -0.065 0.000 0.786 103 A CB -0.753 18.212 19.000 -0.057 0.000 0.804 103 A HN 0.465 nan 8.150 nan 0.000 0.479 104 G N -1.864 106.895 108.800 -0.067 0.000 2.892 104 G HA2 0.453 4.400 3.960 -0.023 0.000 0.686 104 G HA3 0.453 4.400 3.960 -0.023 0.000 0.686 104 G C -0.274 174.601 174.900 -0.041 0.000 1.244 104 G CA -0.309 44.760 45.100 -0.052 0.000 0.947 104 G HN 2.165 nan 8.290 nan 0.000 0.584 105 A N 1.560 124.358 122.820 -0.035 0.000 2.586 105 A HA 0.726 5.032 4.320 -0.023 0.000 0.298 105 A C -0.299 177.272 177.584 -0.021 0.000 1.013 105 A CA -0.247 51.775 52.037 -0.025 0.000 0.707 105 A CB 0.703 19.688 19.000 -0.025 0.000 1.276 105 A HN 1.316 nan 8.150 nan 0.000 0.414 106 K N 1.214 121.606 120.400 -0.014 0.000 2.414 106 K HA 0.231 4.538 4.320 -0.023 0.000 0.272 106 K C 1.062 177.657 176.600 -0.009 0.000 0.993 106 K CA 0.217 56.498 56.287 -0.011 0.000 0.964 106 K CB 0.480 32.977 32.500 -0.007 0.000 0.925 106 K HN 0.608 nan 8.250 nan 0.000 0.487 107 K N 1.448 121.843 120.400 -0.008 0.000 2.209 107 K HA -0.203 4.104 4.320 -0.023 0.000 0.204 107 K C 1.599 178.198 176.600 -0.002 0.000 1.048 107 K CA 1.252 57.536 56.287 -0.005 0.000 0.940 107 K CB 0.124 32.621 32.500 -0.004 0.000 0.729 107 K HN 0.614 nan 8.250 nan 0.000 0.451 108 E N 0.776 120.976 120.200 -0.001 0.000 2.038 108 E HA -0.187 4.150 4.350 -0.023 0.000 0.195 108 E C 1.877 178.478 176.600 0.003 0.000 1.000 108 E CA 1.371 57.771 56.400 0.001 0.000 0.803 108 E CB 0.157 29.858 29.700 0.001 0.000 0.750 108 E HN 0.016 nan 8.360 nan 0.000 0.448 109 V N 1.670 121.585 119.914 0.001 0.000 2.407 109 V HA -0.260 3.846 4.120 -0.023 0.000 0.248 109 V C 2.398 178.495 176.094 0.005 0.000 1.055 109 V CA 1.083 63.385 62.300 0.004 0.000 1.049 109 V CB -0.463 31.361 31.823 0.001 0.000 0.662 109 V HN 0.349 nan 8.190 nan 0.000 0.455 110 I N 0.957 121.528 120.570 0.002 0.000 2.099 110 I HA -0.271 3.885 4.170 -0.023 0.000 0.239 110 I C 2.261 178.384 176.117 0.009 0.000 1.066 110 I CA 2.013 63.315 61.300 0.004 0.000 1.324 110 I CB -1.645 36.354 38.000 -0.001 0.000 1.037 110 I HN 0.447 nan 8.210 nan 0.000 0.401 111 N N 0.048 118.753 118.700 0.008 0.000 2.166 111 N HA -0.231 4.495 4.740 -0.023 0.000 0.186 111 N C 1.908 177.425 175.510 0.011 0.000 1.019 111 N CA 0.700 53.756 53.050 0.009 0.000 0.856 111 N CB -0.074 38.418 38.487 0.008 0.000 0.993 111 N HN 0.454 nan 8.380 nan 0.000 0.426 112 Q N 1.669 121.476 119.800 0.010 0.000 2.002 112 Q HA -0.198 4.128 4.340 -0.023 0.000 0.204 112 Q C 1.950 177.959 176.000 0.015 0.000 0.988 112 Q CA 1.501 57.311 55.803 0.012 0.000 0.843 112 Q CB 0.042 28.787 28.738 0.011 0.000 0.908 112 Q HN 0.350 nan 8.270 nan 0.000 0.420 113 R N -0.371 120.139 120.500 0.017 0.000 2.080 113 R HA -0.135 4.192 4.340 -0.023 0.000 0.236 113 R C 2.472 178.786 176.300 0.023 0.000 1.137 113 R CA 1.645 57.759 56.100 0.023 0.000 0.943 113 R CB -0.613 29.703 30.300 0.027 0.000 0.846 113 R HN 0.182 nan 8.270 nan 0.000 0.431 114 V N 1.938 121.865 119.914 0.021 0.000 2.324 114 V HA -0.319 3.788 4.120 -0.023 0.000 0.250 114 V C 1.671 177.776 176.094 0.018 0.000 1.060 114 V CA 2.203 64.515 62.300 0.020 0.000 1.042 114 V CB -0.727 31.107 31.823 0.018 0.000 0.650 114 V HN 0.436 nan 8.190 nan 0.000 0.450 115 N N -0.625 118.085 118.700 0.017 0.000 2.106 115 N HA -0.218 4.508 4.740 -0.023 0.000 0.188 115 N C 2.005 177.527 175.510 0.019 0.000 1.029 115 N CA 1.195 54.255 53.050 0.018 0.000 0.848 115 N CB -0.188 38.308 38.487 0.016 0.000 1.007 115 N HN 0.531 nan 8.380 nan 0.000 0.423 116 Q N 1.232 121.043 119.800 0.019 0.000 1.993 116 Q HA -0.143 4.184 4.340 -0.023 0.000 0.202 116 Q C 2.028 178.041 176.000 0.021 0.000 0.984 116 Q CA 1.536 57.351 55.803 0.019 0.000 0.837 116 Q CB -0.176 28.573 28.738 0.019 0.000 0.902 116 Q HN 0.214 nan 8.270 nan 0.000 0.423 117 V N 1.570 121.498 119.914 0.024 0.000 2.469 117 V HA -0.269 3.837 4.120 -0.023 0.000 0.251 117 V C 2.514 178.621 176.094 0.021 0.000 1.064 117 V CA 1.658 63.973 62.300 0.024 0.000 1.066 117 V CB -1.177 30.663 31.823 0.029 0.000 0.667 117 V HN 0.486 nan 8.190 nan 0.000 0.461 118 A N -0.403 122.429 122.820 0.021 0.000 1.902 118 A HA -0.271 4.035 4.320 -0.023 0.000 0.217 118 A C 2.310 179.914 177.584 0.033 0.000 1.181 118 A CA 2.031 54.081 52.037 0.021 0.000 0.623 118 A CB -0.430 18.582 19.000 0.020 0.000 0.818 118 A HN 0.617 nan 8.150 nan 0.000 0.443 119 E N -0.282 119.938 120.200 0.032 0.000 2.015 119 E HA -0.126 4.210 4.350 -0.023 0.000 0.191 119 E C 1.945 178.563 176.600 0.030 0.000 0.991 119 E CA 1.397 57.818 56.400 0.034 0.000 0.802 119 E CB -0.170 29.545 29.700 0.025 0.000 0.759 119 E HN 0.252 nan 8.360 nan 0.000 0.447 120 V N 1.433 121.361 119.914 0.023 0.000 2.317 120 V HA -0.275 3.832 4.120 -0.023 0.000 0.251 120 V C 2.200 178.308 176.094 0.022 0.000 1.065 120 V CA 1.643 63.955 62.300 0.020 0.000 1.049 120 V CB -0.356 31.478 31.823 0.017 0.000 0.651 120 V HN 0.363 nan 8.190 nan 0.000 0.450 121 L N -0.689 120.549 121.223 0.025 0.000 2.629 121 L HA 0.193 4.520 4.340 -0.023 0.000 0.230 121 L C 0.576 177.469 176.870 0.038 0.000 1.151 121 L CA 0.119 54.974 54.840 0.026 0.000 0.924 121 L CB -0.376 41.693 42.059 0.017 0.000 1.137 121 L HN 0.426 nan 8.230 nan 0.000 0.457 122 Q N 0.698 120.530 119.800 0.053 0.000 2.457 122 Q HA -0.182 4.144 4.340 -0.023 0.000 0.333 122 Q C 0.103 176.184 176.000 0.135 0.000 1.448 122 Q CA 0.327 56.186 55.803 0.093 0.000 0.891 122 Q CB -1.326 27.460 28.738 0.080 0.000 1.142 122 Q HN 0.545 nan 8.270 nan 0.000 0.375 123 L N -2.571 118.715 121.223 0.106 0.000 3.689 123 L HA 0.264 4.590 4.340 -0.023 0.000 0.344 123 L C 1.690 178.553 176.870 -0.013 0.000 1.221 123 L CA 0.445 55.284 54.840 -0.001 0.000 1.171 123 L CB 0.125 42.162 42.059 -0.036 0.000 1.540 123 L HN 0.339 nan 8.230 nan 0.000 0.631 124 A N 0.712 123.596 122.820 0.107 0.000 2.076 124 A HA -0.218 4.089 4.320 -0.023 0.000 0.220 124 A C 2.002 179.645 177.584 0.099 0.000 1.160 124 A CA 1.952 54.040 52.037 0.085 0.000 0.653 124 A CB -0.741 18.313 19.000 0.089 0.000 0.801 124 A HN 0.660 nan 8.150 nan 0.000 0.455 125 H N -1.497 117.575 119.070 0.003 0.000 2.563 125 H HA 0.252 4.794 4.556 -0.023 0.000 0.264 125 H C 1.188 176.518 175.328 0.003 0.000 0.957 125 H CA 0.671 56.721 56.048 0.003 0.000 1.173 125 H CB -0.458 29.305 29.762 0.002 0.000 1.420 125 H HN 0.470 nan 8.280 nan 0.000 0.551 126 L N 0.355 121.322 121.223 -0.426 0.000 2.640 126 L HA 0.071 4.397 4.340 -0.023 0.000 0.230 126 L C 1.659 178.446 176.870 -0.138 0.000 1.123 126 L CA -0.264 54.393 54.840 -0.305 0.000 0.900 126 L CB 0.041 41.870 42.059 -0.383 0.000 1.146 126 L HN 0.031 nan 8.230 nan 0.000 0.484 127 L N 0.574 121.742 121.223 -0.091 0.000 2.064 127 L HA -0.296 4.031 4.340 -0.023 0.000 0.216 127 L C 1.804 178.654 176.870 -0.033 0.000 1.077 127 L CA 1.867 56.680 54.840 -0.046 0.000 0.766 127 L CB -0.552 41.496 42.059 -0.019 0.000 0.890 127 L HN 0.326 nan 8.230 nan 0.000 0.435 128 D N -1.620 118.763 120.400 -0.029 0.000 2.339 128 D HA 0.051 4.677 4.640 -0.023 0.000 0.217 128 D C 0.897 177.184 176.300 -0.021 0.000 1.050 128 D CA 0.107 54.096 54.000 -0.018 0.000 0.856 128 D CB 0.297 41.092 40.800 -0.007 0.000 0.922 128 D HN 0.331 nan 8.370 nan 0.000 0.518 129 R N 0.822 121.302 120.500 -0.033 0.000 2.583 129 R HA 0.298 4.624 4.340 -0.023 0.000 0.268 129 R C 0.581 176.865 176.300 -0.027 0.000 1.101 129 R CA -0.457 55.626 56.100 -0.029 0.000 1.180 129 R CB 1.066 31.342 30.300 -0.039 0.000 1.128 129 R HN -0.268 nan 8.270 nan 0.000 0.568 130 K N 1.955 122.344 120.400 -0.018 0.000 2.110 130 K HA 0.181 4.487 4.320 -0.023 0.000 0.263 130 K C -1.657 174.933 176.600 -0.016 0.000 0.975 130 K CA -2.124 54.155 56.287 -0.014 0.000 0.895 130 K CB 1.231 33.730 32.500 -0.000 0.000 1.060 130 K HN 0.342 nan 8.250 nan 0.000 0.448 131 P HA -0.213 nan 4.420 nan 0.000 0.218 131 P C 0.967 178.260 177.300 -0.013 0.000 1.146 131 P CA 1.374 64.462 63.100 -0.020 0.000 0.813 131 P CB 0.392 32.078 31.700 -0.023 0.000 0.778 132 K N 0.393 120.791 120.400 -0.004 0.000 2.280 132 K HA -0.047 4.259 4.320 -0.023 0.000 0.202 132 K C 1.739 178.338 176.600 -0.002 0.000 1.047 132 K CA 1.104 57.391 56.287 0.000 0.000 0.942 132 K CB -0.330 32.174 32.500 0.007 0.000 0.739 132 K HN 0.004 nan 8.250 nan 0.000 0.457 133 A N 0.835 123.652 122.820 -0.005 0.000 2.337 133 A HA 0.252 4.558 4.320 -0.023 0.000 0.227 133 A C 0.269 177.847 177.584 -0.010 0.000 1.259 133 A CA -0.209 51.824 52.037 -0.005 0.000 0.870 133 A CB -0.031 18.965 19.000 -0.006 0.000 0.927 133 A HN 0.152 nan 8.150 nan 0.000 0.497 134 L N -0.559 120.656 121.223 -0.013 0.000 2.271 134 L HA 0.481 4.808 4.340 -0.023 0.000 0.265 134 L C 0.759 177.626 176.870 -0.005 0.000 1.013 134 L CA -0.865 53.966 54.840 -0.015 0.000 0.820 134 L CB 1.821 43.863 42.059 -0.028 0.000 1.352 134 L HN 0.267 nan 8.230 nan 0.000 0.443 135 S N -0.931 114.769 115.700 -0.001 0.000 2.669 135 S HA 0.267 4.723 4.470 -0.023 0.000 0.270 135 S C 0.998 175.600 174.600 0.003 0.000 1.225 135 S CA -0.104 58.099 58.200 0.006 0.000 0.991 135 S CB 1.349 64.557 63.200 0.013 0.000 0.987 135 S HN 0.782 nan 8.310 nan 0.000 0.552 136 G N 0.170 108.974 108.800 0.007 0.000 2.432 136 G HA2 0.062 4.009 3.960 -0.023 0.000 0.219 136 G HA3 0.062 4.009 3.960 -0.023 0.000 0.219 136 G C 1.251 176.157 174.900 0.010 0.000 1.135 136 G CA 0.495 45.600 45.100 0.009 0.000 0.767 136 G HN 0.962 nan 8.290 nan 0.000 0.550 137 G N 0.051 108.858 108.800 0.012 0.000 2.403 137 G HA2 -0.111 3.836 3.960 -0.023 0.000 0.216 137 G HA3 -0.111 3.836 3.960 -0.023 0.000 0.216 137 G C 1.759 176.664 174.900 0.008 0.000 1.154 137 G CA 0.889 45.998 45.100 0.014 0.000 0.784 137 G HN 0.497 nan 8.290 nan 0.000 0.538 138 Q N -0.241 119.561 119.800 0.004 0.000 2.083 138 Q HA 0.045 4.371 4.340 -0.023 0.000 0.198 138 Q C 2.836 178.824 176.000 -0.020 0.000 0.969 138 Q CA 0.681 56.480 55.803 -0.008 0.000 0.838 138 Q CB -0.077 28.652 28.738 -0.014 0.000 0.900 138 Q HN 0.355 nan 8.270 nan 0.000 0.436 139 R N 0.249 120.738 120.500 -0.019 0.000 2.073 139 R HA -0.187 4.140 4.340 -0.023 0.000 0.234 139 R C 2.310 178.593 176.300 -0.029 0.000 1.134 139 R CA 1.413 57.498 56.100 -0.026 0.000 0.952 139 R CB -0.225 30.063 30.300 -0.021 0.000 0.850 139 R HN 0.165 nan 8.270 nan 0.000 0.433 140 Q N 1.199 120.989 119.800 -0.016 0.000 2.096 140 Q HA -0.168 4.159 4.340 -0.023 0.000 0.204 140 Q C 1.872 177.848 176.000 -0.039 0.000 0.982 140 Q CA 1.777 57.567 55.803 -0.021 0.000 0.850 140 Q CB -0.090 28.648 28.738 -0.000 0.000 0.901 140 Q HN 0.164 nan 8.270 nan 0.000 0.422 141 R N -1.195 119.290 120.500 -0.025 0.000 2.096 141 R HA -0.056 4.271 4.340 -0.023 0.000 0.235 141 R C 2.269 178.544 176.300 -0.041 0.000 1.127 141 R CA 1.278 57.364 56.100 -0.024 0.000 0.968 141 R CB -0.338 29.958 30.300 -0.007 0.000 0.861 141 R HN 0.135 nan 8.270 nan 0.000 0.440 142 V N 0.772 120.657 119.914 -0.048 0.000 2.343 142 V HA -0.256 3.851 4.120 -0.023 0.000 0.247 142 V C 2.360 178.398 176.094 -0.093 0.000 1.051 142 V CA 1.978 64.243 62.300 -0.058 0.000 1.036 142 V CB -0.777 31.012 31.823 -0.057 0.000 0.654 142 V HN 0.434 nan 8.190 nan 0.000 0.451 143 A N 0.105 122.850 122.820 -0.124 0.000 1.883 143 A HA -0.191 4.115 4.320 -0.023 0.000 0.217 143 A C 2.191 179.610 177.584 -0.276 0.000 1.186 143 A CA 1.880 53.767 52.037 -0.251 0.000 0.624 143 A CB -0.543 18.300 19.000 -0.262 0.000 0.822 143 A HN 0.379 nan 8.150 nan 0.000 0.444 144 I N 0.047 120.514 120.570 -0.172 0.000 2.208 144 I HA -0.206 3.950 4.170 -0.023 0.000 0.245 144 I C 2.668 178.747 176.117 -0.062 0.000 1.097 144 I CA 1.593 62.825 61.300 -0.113 0.000 1.363 144 I CB -1.852 36.118 38.000 -0.050 0.000 1.051 144 I HN 0.370 nan 8.210 nan 0.000 0.413 145 G N 0.266 109.036 108.800 -0.049 0.000 2.450 145 G HA2 -0.292 3.654 3.960 -0.023 0.000 0.220 145 G HA3 -0.292 3.654 3.960 -0.023 0.000 0.220 145 G C 1.889 176.784 174.900 -0.008 0.000 1.130 145 G CA 0.755 45.846 45.100 -0.014 0.000 0.760 145 G HN 0.321 nan 8.290 nan 0.000 0.557 146 R N -0.119 120.352 120.500 -0.047 0.000 2.080 146 R HA -0.106 4.220 4.340 -0.023 0.000 0.236 146 R C 2.571 178.866 176.300 -0.009 0.000 1.137 146 R CA 2.067 58.154 56.100 -0.022 0.000 0.943 146 R CB -0.678 29.587 30.300 -0.057 0.000 0.846 146 R HN 0.318 nan 8.270 nan 0.000 0.431 147 T N 1.687 116.216 114.554 -0.042 0.000 2.788 147 T HA -0.073 4.264 4.350 -0.023 0.000 0.268 147 T C 1.807 176.591 174.700 0.140 0.000 1.044 147 T CA 1.277 63.373 62.100 -0.007 0.000 1.139 147 T CB -0.092 68.775 68.868 -0.001 0.000 0.867 147 T HN 0.197 nan 8.240 nan 0.000 0.454 148 L N 0.617 121.958 121.223 0.197 0.000 2.093 148 L HA -0.048 4.278 4.340 -0.023 0.000 0.208 148 L C 2.605 179.580 176.870 0.174 0.000 1.085 148 L CA 0.781 55.783 54.840 0.270 0.000 0.755 148 L CB -0.670 41.466 42.059 0.128 0.000 0.904 148 L HN 0.150 nan 8.230 nan 0.000 0.435 149 V N 0.069 120.038 119.914 0.091 0.000 2.453 149 V HA -0.196 3.911 4.120 -0.023 0.000 0.247 149 V C 2.700 178.819 176.094 0.042 0.000 1.048 149 V CA 1.633 63.969 62.300 0.060 0.000 1.049 149 V CB -0.525 31.323 31.823 0.041 0.000 0.672 149 V HN 0.451 nan 8.190 nan 0.000 0.457 150 A N -1.014 121.817 122.820 0.018 0.000 1.969 150 A HA -0.139 4.167 4.320 -0.023 0.000 0.218 150 A C 1.059 178.606 177.584 -0.062 0.000 1.169 150 A CA 0.879 52.897 52.037 -0.031 0.000 0.635 150 A CB -0.320 18.645 19.000 -0.060 0.000 0.810 150 A HN 0.654 nan 8.150 nan 0.000 0.445 151 E N -0.579 119.585 120.200 -0.060 0.000 2.240 151 E HA -0.136 4.201 4.350 -0.023 0.000 0.194 151 E C -2.277 174.176 176.600 -0.245 0.000 1.385 151 E CA 0.299 56.663 56.400 -0.060 0.000 0.686 151 E CB -1.536 28.208 29.700 0.074 0.000 1.125 151 E HN 0.634 nan 8.360 nan 0.000 0.359 152 P HA -0.042 nan 4.420 nan 0.000 0.274 152 P C 0.896 178.010 177.300 -0.310 0.000 1.237 152 P CA 0.118 62.984 63.100 -0.390 0.000 0.793 152 P CB 1.233 32.661 31.700 -0.453 0.000 0.977 153 S N 0.524 116.138 115.700 -0.142 0.000 2.419 153 S HA -0.027 4.430 4.470 -0.023 0.000 0.233 153 S C 0.722 175.314 174.600 -0.014 0.000 1.016 153 S CA 0.699 58.873 58.200 -0.043 0.000 0.974 153 S CB -0.506 62.686 63.200 -0.014 0.000 0.786 153 S HN 0.317 nan 8.310 nan 0.000 0.492 154 V N 1.750 121.614 119.914 -0.082 0.000 2.569 154 V HA 0.504 4.611 4.120 -0.023 0.000 0.301 154 V C -1.244 174.807 176.094 -0.072 0.000 1.044 154 V CA -0.906 61.391 62.300 -0.006 0.000 0.874 154 V CB 1.370 33.199 31.823 0.010 0.000 1.002 154 V HN 0.318 nan 8.190 nan 0.000 0.424 155 F N 4.974 124.882 119.950 -0.070 0.000 2.404 155 F HA 0.640 5.155 4.527 -0.019 0.000 0.345 155 F C 0.139 175.874 175.800 -0.109 0.000 1.110 155 F CA -0.614 57.334 58.000 -0.087 0.000 1.130 155 F CB 1.252 40.184 39.000 -0.114 0.000 1.129 155 F HN 0.186 nan 8.300 nan 0.000 0.500 156 L N 5.352 126.629 121.223 0.090 0.000 2.343 156 L HA 0.534 4.861 4.340 -0.023 0.000 0.278 156 L C -1.321 175.553 176.870 0.006 0.000 0.996 156 L CA -0.751 54.100 54.840 0.019 0.000 0.831 156 L CB 1.476 43.552 42.059 0.028 0.000 1.232 156 L HN 0.405 nan 8.230 nan 0.000 0.413 157 L N 3.179 124.355 121.223 -0.078 0.000 2.372 157 L HA 0.428 4.754 4.340 -0.023 0.000 0.274 157 L C -0.381 176.329 176.870 -0.267 0.000 0.988 157 L CA -0.148 54.589 54.840 -0.172 0.000 0.833 157 L CB 1.628 43.527 42.059 -0.266 0.000 1.236 157 L HN 0.360 nan 8.230 nan 0.000 0.410 158 D N 4.507 124.843 120.400 -0.106 0.000 2.443 158 D HA 0.146 4.772 4.640 -0.023 0.000 0.221 158 D C 0.012 176.264 176.300 -0.081 0.000 1.097 158 D CA -0.136 53.828 54.000 -0.060 0.000 0.865 158 D CB 0.648 41.496 40.800 0.079 0.000 1.034 158 D HN 0.616 nan 8.370 nan 0.000 0.511 159 E N 2.633 122.710 120.200 -0.205 0.000 2.165 159 E HA -0.192 4.144 4.350 -0.023 0.000 0.203 159 E C -1.565 174.982 176.600 -0.088 0.000 1.335 159 E CA 0.034 56.343 56.400 -0.151 0.000 0.708 159 E CB -0.751 28.923 29.700 -0.043 0.000 1.105 159 E HN 0.543 nan 8.360 nan 0.000 0.346 160 P HA -0.157 nan 4.420 nan 0.000 0.222 160 P C 1.192 178.490 177.300 -0.005 0.000 1.147 160 P CA 1.094 64.152 63.100 -0.070 0.000 0.790 160 P CB 0.131 31.763 31.700 -0.114 0.000 0.780 161 L N -0.187 121.049 121.223 0.021 0.000 2.607 161 L HA 0.087 4.414 4.340 -0.023 0.000 0.228 161 L C 2.584 179.485 176.870 0.051 0.000 1.123 161 L CA 0.647 55.517 54.840 0.051 0.000 0.890 161 L CB -0.731 41.380 42.059 0.088 0.000 1.103 161 L HN 0.024 nan 8.230 nan 0.000 0.468 162 S N -0.622 115.109 115.700 0.051 0.000 2.440 162 S HA -0.211 4.245 4.470 -0.023 0.000 0.238 162 S C 1.360 176.003 174.600 0.072 0.000 1.010 162 S CA 1.362 59.609 58.200 0.079 0.000 0.972 162 S CB -0.596 62.671 63.200 0.112 0.000 0.774 162 S HN 0.569 nan 8.310 nan 0.000 0.501 163 N N 0.632 119.367 118.700 0.058 0.000 2.461 163 N HA 0.243 4.969 4.740 -0.023 0.000 0.188 163 N C -0.211 175.322 175.510 0.039 0.000 1.134 163 N CA 0.013 53.093 53.050 0.049 0.000 0.878 163 N CB -0.026 38.488 38.487 0.044 0.000 0.972 163 N HN 0.452 nan 8.380 nan 0.000 0.456 164 L N 0.388 121.635 121.223 0.040 0.000 2.352 164 L HA 0.330 4.656 4.340 -0.023 0.000 0.269 164 L C 0.066 176.955 176.870 0.032 0.000 1.034 164 L CA -1.045 53.815 54.840 0.033 0.000 0.806 164 L CB 0.739 42.817 42.059 0.032 0.000 1.244 164 L HN -0.059 nan 8.230 nan 0.000 0.447 165 D N 0.416 120.832 120.400 0.026 0.000 2.368 165 D HA 0.106 4.733 4.640 -0.023 0.000 0.240 165 D C 0.865 177.178 176.300 0.022 0.000 1.169 165 D CA 0.183 54.197 54.000 0.022 0.000 0.906 165 D CB 1.366 42.177 40.800 0.018 0.000 1.187 165 D HN 0.658 nan 8.370 nan 0.000 0.435 166 A N 1.909 124.741 122.820 0.019 0.000 1.903 166 A HA -0.237 4.069 4.320 -0.023 0.000 0.219 166 A C 2.054 179.645 177.584 0.011 0.000 1.191 166 A CA 2.725 54.772 52.037 0.016 0.000 0.638 166 A CB -0.823 18.184 19.000 0.011 0.000 0.823 166 A HN 0.630 nan 8.150 nan 0.000 0.451 167 A N -0.881 121.944 122.820 0.008 0.000 1.902 167 A HA -0.029 4.277 4.320 -0.023 0.000 0.217 167 A C 2.086 179.674 177.584 0.008 0.000 1.181 167 A CA 1.610 53.650 52.037 0.005 0.000 0.623 167 A CB -0.477 18.525 19.000 0.003 0.000 0.818 167 A HN 0.413 nan 8.150 nan 0.000 0.443 168 L N -0.341 120.890 121.223 0.013 0.000 2.093 168 L HA -0.112 4.214 4.340 -0.023 0.000 0.208 168 L C 2.629 179.511 176.870 0.019 0.000 1.085 168 L CA 1.615 56.465 54.840 0.017 0.000 0.755 168 L CB -1.175 40.897 42.059 0.021 0.000 0.904 168 L HN 0.462 nan 8.230 nan 0.000 0.435 169 R N -1.016 119.497 120.500 0.022 0.000 2.083 169 R HA -0.154 4.173 4.340 -0.023 0.000 0.237 169 R C 2.191 178.500 176.300 0.015 0.000 1.137 169 R CA 1.341 57.457 56.100 0.027 0.000 0.951 169 R CB -0.542 29.776 30.300 0.031 0.000 0.851 169 R HN 0.199 nan 8.270 nan 0.000 0.434 170 V N 1.516 121.432 119.914 0.004 0.000 2.287 170 V HA -0.306 3.801 4.120 -0.023 0.000 0.248 170 V C 2.337 178.425 176.094 -0.011 0.000 1.053 170 V CA 1.935 64.229 62.300 -0.010 0.000 1.027 170 V CB -0.541 31.275 31.823 -0.012 0.000 0.646 170 V HN 0.404 nan 8.190 nan 0.000 0.447 171 Q N -1.381 118.417 119.800 -0.003 0.000 2.119 171 Q HA -0.141 4.186 4.340 -0.023 0.000 0.201 171 Q C 2.333 178.335 176.000 0.003 0.000 0.972 171 Q CA 1.257 57.059 55.803 -0.002 0.000 0.847 171 Q CB -0.205 28.534 28.738 0.003 0.000 0.903 171 Q HN 0.459 nan 8.270 nan 0.000 0.433 172 M N 0.231 119.839 119.600 0.013 0.000 2.175 172 M HA -0.122 4.345 4.480 -0.023 0.000 0.264 172 M C 1.958 178.270 176.300 0.022 0.000 1.063 172 M CA 1.563 56.878 55.300 0.024 0.000 1.119 172 M CB -0.718 31.905 32.600 0.038 0.000 1.377 172 M HN 0.146 nan 8.290 nan 0.000 0.415 173 R N 0.011 120.514 120.500 0.005 0.000 2.083 173 R HA -0.127 4.199 4.340 -0.023 0.000 0.237 173 R C 2.171 178.443 176.300 -0.047 0.000 1.137 173 R CA 1.200 57.280 56.100 -0.033 0.000 0.951 173 R CB -0.429 29.833 30.300 -0.063 0.000 0.851 173 R HN 0.243 nan 8.270 nan 0.000 0.434 174 I N 1.375 121.923 120.570 -0.037 0.000 2.151 174 I HA -0.256 3.900 4.170 -0.023 0.000 0.243 174 I C 2.167 178.274 176.117 -0.017 0.000 1.080 174 I CA 1.575 62.854 61.300 -0.034 0.000 1.339 174 I CB -1.032 36.952 38.000 -0.026 0.000 1.039 174 I HN 0.194 nan 8.210 nan 0.000 0.409 175 E N 0.565 120.764 120.200 -0.003 0.000 2.106 175 E HA -0.120 4.216 4.350 -0.023 0.000 0.192 175 E C 2.361 178.973 176.600 0.019 0.000 0.984 175 E CA 0.905 57.310 56.400 0.008 0.000 0.806 175 E CB -0.232 29.476 29.700 0.013 0.000 0.750 175 E HN 0.518 nan 8.360 nan 0.000 0.458 176 I N 0.813 121.401 120.570 0.031 0.000 2.315 176 I HA -0.232 3.924 4.170 -0.023 0.000 0.248 176 I C 2.311 178.489 176.117 0.102 0.000 1.117 176 I CA 0.765 62.105 61.300 0.067 0.000 1.404 176 I CB -0.148 37.921 38.000 0.114 0.000 1.071 176 I HN -0.043 nan 8.210 nan 0.000 0.419 177 S N 0.969 116.691 115.700 0.037 0.000 2.356 177 S HA -0.182 4.274 4.470 -0.023 0.000 0.223 177 S C 1.981 176.625 174.600 0.072 0.000 1.032 177 S CA 1.507 59.730 58.200 0.038 0.000 1.005 177 S CB -0.305 62.858 63.200 -0.061 0.000 0.867 177 S HN 0.480 nan 8.310 nan 0.000 0.449 178 R N 1.180 121.697 120.500 0.028 0.000 2.148 178 R HA 0.102 4.428 4.340 -0.023 0.000 0.227 178 R C 2.242 178.552 176.300 0.016 0.000 1.103 178 R CA 0.939 57.048 56.100 0.014 0.000 0.983 178 R CB -0.609 29.691 30.300 0.001 0.000 0.874 178 R HN 0.345 nan 8.270 nan 0.000 0.451 179 L N 0.677 121.917 121.223 0.029 0.000 2.072 179 L HA -0.139 4.187 4.340 -0.023 0.000 0.205 179 L C 2.727 179.601 176.870 0.006 0.000 1.079 179 L CA 1.726 56.569 54.840 0.005 0.000 0.752 179 L CB -0.309 41.740 42.059 -0.017 0.000 0.906 179 L HN 0.286 nan 8.230 nan 0.000 0.436 180 H N 0.233 119.288 119.070 -0.025 0.000 2.353 180 H HA -0.186 4.355 4.556 -0.025 0.000 0.300 180 H C 2.124 177.465 175.328 0.022 0.000 1.090 180 H CA 2.064 58.107 56.048 -0.008 0.000 1.327 180 H CB 0.030 29.896 29.762 0.175 0.000 1.383 180 H HN 0.239 nan 8.280 nan 0.000 0.508 181 K N -0.050 120.240 120.400 -0.182 0.000 2.057 181 K HA -0.175 4.132 4.320 -0.023 0.000 0.207 181 K C 2.484 178.989 176.600 -0.159 0.000 1.049 181 K CA 1.530 57.687 56.287 -0.217 0.000 0.931 181 K CB -0.083 32.373 32.500 -0.073 0.000 0.714 181 K HN 0.313 nan 8.250 nan 0.000 0.440 182 R N 0.698 121.143 120.500 -0.091 0.000 2.073 182 R HA -0.083 4.244 4.340 -0.023 0.000 0.229 182 R C 1.947 178.218 176.300 -0.049 0.000 1.120 182 R CA 1.032 57.099 56.100 -0.055 0.000 0.967 182 R CB -0.070 30.215 30.300 -0.025 0.000 0.862 182 R HN 0.042 nan 8.270 nan 0.000 0.436 183 L N 0.425 121.618 121.223 -0.051 0.000 2.341 183 L HA 0.279 4.606 4.340 -0.023 0.000 0.214 183 L C 1.264 178.125 176.870 -0.015 0.000 1.115 183 L CA 1.650 56.486 54.840 -0.007 0.000 0.820 183 L CB -0.197 41.883 42.059 0.035 0.000 0.944 183 L HN 0.568 nan 8.230 nan 0.000 0.452 184 G N 0.096 108.829 108.800 -0.112 0.000 2.233 184 G HA2 -0.326 3.621 3.960 -0.023 0.000 0.270 184 G HA3 -0.326 3.621 3.960 -0.023 0.000 0.270 184 G C 0.591 175.516 174.900 0.042 0.000 1.011 184 G CA 0.311 45.347 45.100 -0.106 0.000 0.762 184 G HN 0.268 nan 8.290 nan 0.000 0.511 185 R N 0.028 120.598 120.500 0.117 0.000 2.531 185 R HA 0.386 4.712 4.340 -0.023 0.000 0.273 185 R C 0.384 176.813 176.300 0.214 0.000 1.070 185 R CA -0.239 55.984 56.100 0.205 0.000 1.112 185 R CB 0.235 30.765 30.300 0.383 0.000 1.049 185 R HN 0.155 nan 8.270 nan 0.000 0.508 186 T N 3.391 118.052 114.554 0.178 0.000 2.853 186 T HA 0.211 4.548 4.350 -0.023 0.000 0.298 186 T C 0.464 175.197 174.700 0.054 0.000 0.978 186 T CA 0.410 62.575 62.100 0.109 0.000 1.152 186 T CB 0.190 69.113 68.868 0.093 0.000 0.914 186 T HN 0.255 nan 8.240 nan 0.000 0.539 187 M N 4.533 124.030 119.600 -0.172 0.000 2.263 187 M HA 0.464 4.931 4.480 -0.023 0.000 0.295 187 M C -1.108 174.961 176.300 -0.385 0.000 1.028 187 M CA -0.834 54.243 55.300 -0.373 0.000 0.921 187 M CB 2.099 34.127 32.600 -0.952 0.000 1.601 187 M HN 0.273 nan 8.290 nan 0.000 0.440 188 I N 3.482 123.906 120.570 -0.243 0.000 2.382 188 I HA 0.349 4.505 4.170 -0.023 0.000 0.286 188 I C -1.245 174.733 176.117 -0.232 0.000 1.002 188 I CA -0.548 60.572 61.300 -0.300 0.000 1.135 188 I CB 0.839 38.664 38.000 -0.291 0.000 1.288 188 I HN 0.682 nan 8.210 nan 0.000 0.448 189 Y N 6.716 126.813 120.300 -0.339 0.000 2.376 189 Y HA 0.626 5.165 4.550 -0.019 0.000 0.340 189 Y C -0.405 175.412 175.900 -0.139 0.000 0.965 189 Y CA -0.842 57.170 58.100 -0.148 0.000 1.078 189 Y CB 1.889 40.399 38.460 0.083 0.000 1.193 189 Y HN 0.383 nan 8.280 nan 0.000 0.452 190 V N 2.365 122.239 119.914 -0.066 0.000 2.628 190 V HA 0.950 5.056 4.120 -0.023 0.000 0.306 190 V C -0.911 175.227 176.094 0.073 0.000 1.045 190 V CA -0.181 62.173 62.300 0.089 0.000 0.905 190 V CB 1.539 33.431 31.823 0.114 0.000 0.997 190 V HN 0.863 nan 8.190 nan 0.000 0.436 191 T N 2.826 117.485 114.554 0.175 0.000 2.802 191 T HA 0.512 4.849 4.350 -0.023 0.000 0.311 191 T C 0.107 174.886 174.700 0.132 0.000 1.405 191 T CA 0.092 62.229 62.100 0.062 0.000 1.016 191 T CB 1.495 70.445 68.868 0.136 0.000 1.352 191 T HN 0.990 nan 8.240 nan 0.000 0.498 192 H N -0.911 118.299 119.070 0.234 0.000 2.586 192 H HA 0.260 4.802 4.556 -0.023 0.000 0.273 192 H C -0.566 174.934 175.328 0.287 0.000 0.997 192 H CA -0.308 55.918 56.048 0.296 0.000 1.177 192 H CB 0.640 30.530 29.762 0.213 0.000 1.471 192 H HN 0.363 nan 8.280 nan 0.000 0.538 193 D N 2.438 122.938 120.400 0.168 0.000 2.396 193 D HA -0.009 4.617 4.640 -0.023 0.000 0.225 193 D C 1.275 177.599 176.300 0.041 0.000 1.121 193 D CA -0.428 53.643 54.000 0.119 0.000 0.853 193 D CB 1.783 42.613 40.800 0.051 0.000 1.043 193 D HN 0.436 nan 8.370 nan 0.000 0.500 194 Q N 2.524 122.263 119.800 -0.102 0.000 2.124 194 Q HA -0.139 4.187 4.340 -0.023 0.000 0.202 194 Q C 1.458 177.410 176.000 -0.081 0.000 0.977 194 Q CA 1.398 57.123 55.803 -0.130 0.000 0.850 194 Q CB -0.550 27.957 28.738 -0.384 0.000 0.901 194 Q HN 0.290 nan 8.270 nan 0.000 0.429 195 V N 1.130 120.991 119.914 -0.088 0.000 2.287 195 V HA -0.292 3.814 4.120 -0.023 0.000 0.248 195 V C 2.384 178.428 176.094 -0.083 0.000 1.053 195 V CA 2.247 64.497 62.300 -0.084 0.000 1.027 195 V CB -0.755 31.025 31.823 -0.072 0.000 0.646 195 V HN 0.510 nan 8.190 nan 0.000 0.447 196 E N -0.161 120.003 120.200 -0.061 0.000 2.110 196 E HA -0.214 4.123 4.350 -0.023 0.000 0.193 196 E C 2.264 178.783 176.600 -0.136 0.000 0.988 196 E CA 1.268 57.616 56.400 -0.087 0.000 0.804 196 E CB -0.246 29.443 29.700 -0.019 0.000 0.745 196 E HN 0.593 nan 8.360 nan 0.000 0.458 197 A N 0.858 123.643 122.820 -0.058 0.000 1.858 197 A HA -0.211 4.095 4.320 -0.023 0.000 0.216 197 A C 2.164 179.687 177.584 -0.102 0.000 1.190 197 A CA 1.583 53.592 52.037 -0.047 0.000 0.617 197 A CB -0.431 18.617 19.000 0.081 0.000 0.827 197 A HN 0.230 nan 8.150 nan 0.000 0.443 198 M N -0.288 119.262 119.600 -0.085 0.000 2.082 198 M HA -0.140 4.326 4.480 -0.023 0.000 0.258 198 M C 2.205 178.410 176.300 -0.157 0.000 1.069 198 M CA 2.212 57.448 55.300 -0.106 0.000 1.102 198 M CB -1.915 30.617 32.600 -0.113 0.000 1.336 198 M HN 0.473 nan 8.290 nan 0.000 0.404 199 T N 1.144 115.590 114.554 -0.179 0.000 2.777 199 T HA -0.032 4.304 4.350 -0.023 0.000 0.266 199 T C 2.021 176.536 174.700 -0.308 0.000 1.040 199 T CA 1.072 63.048 62.100 -0.208 0.000 1.141 199 T CB -0.147 68.612 68.868 -0.182 0.000 0.868 199 T HN 0.310 nan 8.240 nan 0.000 0.444 200 L N 0.163 121.121 121.223 -0.441 0.000 2.253 200 L HA 0.356 4.682 4.340 -0.023 0.000 0.205 200 L C 1.486 177.770 176.870 -0.977 0.000 1.078 200 L CA -0.182 54.179 54.840 -0.798 0.000 0.805 200 L CB -0.424 41.004 42.059 -1.052 0.000 0.963 200 L HN 0.104 nan 8.230 nan 0.000 0.459 201 A N 0.299 122.777 122.820 -0.571 0.000 2.462 201 A HA 0.045 4.352 4.320 -0.023 0.000 0.243 201 A C 0.418 177.907 177.584 -0.159 0.000 1.076 201 A CA -0.225 51.620 52.037 -0.319 0.000 0.773 201 A CB 0.246 19.193 19.000 -0.088 0.000 1.010 201 A HN 0.155 nan 8.150 nan 0.000 0.493 202 D N 0.395 120.778 120.400 -0.029 0.000 2.162 202 D HA 0.041 4.667 4.640 -0.023 0.000 0.205 202 D C 0.541 176.884 176.300 0.073 0.000 0.964 202 D CA 1.550 55.578 54.000 0.047 0.000 0.847 202 D CB 0.191 41.067 40.800 0.127 0.000 0.988 202 D HN 0.778 nan 8.370 nan 0.000 0.480 203 K N -0.034 120.428 120.400 0.104 0.000 2.469 203 K HA 0.597 4.903 4.320 -0.023 0.000 0.254 203 K C -1.168 175.520 176.600 0.146 0.000 0.939 203 K CA -0.677 55.684 56.287 0.124 0.000 0.812 203 K CB 2.200 34.787 32.500 0.146 0.000 1.301 203 K HN -0.186 nan 8.250 nan 0.000 0.433 204 I N 2.097 122.759 120.570 0.153 0.000 2.530 204 I HA 0.361 4.518 4.170 -0.023 0.000 0.297 204 I C -0.810 175.433 176.117 0.209 0.000 1.011 204 I CA -1.420 59.993 61.300 0.188 0.000 1.107 204 I CB 2.158 40.255 38.000 0.161 0.000 1.285 204 I HN 0.527 nan 8.210 nan 0.000 0.436 205 V N 6.861 126.932 119.914 0.262 0.000 2.444 205 V HA 0.522 4.629 4.120 -0.023 0.000 0.294 205 V C -0.701 175.494 176.094 0.169 0.000 1.022 205 V CA -0.387 62.027 62.300 0.190 0.000 0.850 205 V CB 1.762 33.664 31.823 0.132 0.000 0.992 205 V HN 0.437 nan 8.190 nan 0.000 0.426 206 V N 7.880 127.875 119.914 0.135 0.000 2.406 206 V HA 0.449 4.555 4.120 -0.023 0.000 0.272 206 V C 0.232 176.353 176.094 0.046 0.000 1.043 206 V CA -0.364 62.011 62.300 0.125 0.000 0.915 206 V CB 1.087 33.024 31.823 0.190 0.000 0.988 206 V HN 0.803 nan 8.190 nan 0.000 0.466 207 L N 4.268 125.484 121.223 -0.012 0.000 2.309 207 L HA 0.621 4.947 4.340 -0.023 0.000 0.282 207 L C -0.508 176.238 176.870 -0.206 0.000 1.036 207 L CA -0.332 54.447 54.840 -0.101 0.000 0.806 207 L CB 1.764 43.764 42.059 -0.098 0.000 1.220 207 L HN 0.583 nan 8.230 nan 0.000 0.429 208 D N 3.278 123.464 120.400 -0.356 0.000 2.421 208 D HA 0.423 5.049 4.640 -0.023 0.000 0.254 208 D C 0.212 176.275 176.300 -0.395 0.000 1.238 208 D CA -0.221 53.370 54.000 -0.682 0.000 0.919 208 D CB 1.574 41.659 40.800 -1.192 0.000 1.152 208 D HN 0.691 nan 8.370 nan 0.000 0.552 209 A N 2.974 125.629 122.820 -0.275 0.000 2.640 209 A HA 0.076 4.383 4.320 -0.023 0.000 0.300 209 A C 1.556 179.064 177.584 -0.126 0.000 1.499 209 A CA 1.923 53.863 52.037 -0.163 0.000 0.759 209 A CB -1.929 16.974 19.000 -0.161 0.000 1.048 209 A HN 1.752 nan 8.150 nan 0.000 0.450 210 G N -1.567 107.165 108.800 -0.115 0.000 2.234 210 G HA2 -0.195 3.751 3.960 -0.023 0.000 0.235 210 G HA3 -0.195 3.751 3.960 -0.023 0.000 0.235 210 G C 0.169 175.004 174.900 -0.109 0.000 0.997 210 G CA 0.980 46.026 45.100 -0.090 0.000 0.623 210 G HN 2.250 nan 8.290 nan 0.000 0.514 211 R N -0.045 120.372 120.500 -0.137 0.000 2.540 211 R HA 0.713 5.039 4.340 -0.023 0.000 0.287 211 R C -0.347 175.877 176.300 -0.127 0.000 0.980 211 R CA -0.747 55.279 56.100 -0.123 0.000 0.966 211 R CB 1.871 32.101 30.300 -0.117 0.000 1.106 211 R HN 0.160 nan 8.270 nan 0.000 0.480 212 V N 3.664 123.521 119.914 -0.095 0.000 2.381 212 V HA 0.116 4.223 4.120 -0.023 0.000 0.257 212 V C 1.316 177.390 176.094 -0.034 0.000 1.057 212 V CA 0.512 62.769 62.300 -0.072 0.000 1.013 212 V CB 0.143 31.930 31.823 -0.060 0.000 1.069 212 V HN 1.050 nan 8.190 nan 0.000 0.484 213 A N 4.314 127.124 122.820 -0.018 0.000 1.930 213 A HA -0.003 4.304 4.320 -0.023 0.000 0.217 213 A C 0.956 178.595 177.584 0.090 0.000 1.175 213 A CA 1.094 53.156 52.037 0.041 0.000 0.627 213 A CB 0.063 19.133 19.000 0.116 0.000 0.815 213 A HN 0.761 nan 8.150 nan 0.000 0.443 214 Q N -2.104 117.754 119.800 0.098 0.000 2.617 214 Q HA 0.497 4.823 4.340 -0.023 0.000 0.270 214 Q C -2.412 173.656 176.000 0.114 0.000 0.967 214 Q CA -0.497 55.374 55.803 0.115 0.000 0.887 214 Q CB 1.771 30.602 28.738 0.154 0.000 1.516 214 Q HN 0.103 nan 8.270 nan 0.000 0.395 215 V N 1.870 121.851 119.914 0.112 0.000 2.531 215 V HA 0.979 5.085 4.120 -0.023 0.000 0.301 215 V C 0.065 176.238 176.094 0.130 0.000 1.034 215 V CA 0.310 62.681 62.300 0.119 0.000 0.865 215 V CB 1.400 33.282 31.823 0.098 0.000 0.995 215 V HN 0.900 nan 8.190 nan 0.000 0.424 216 G N 3.633 112.519 108.800 0.142 0.000 2.441 216 G HA2 0.393 4.339 3.960 -0.023 0.000 0.294 216 G HA3 0.393 4.339 3.960 -0.023 0.000 0.294 216 G C -1.501 173.481 174.900 0.138 0.000 1.393 216 G CA -0.990 44.196 45.100 0.143 0.000 0.796 216 G HN 0.519 nan 8.290 nan 0.000 0.494 217 K N 0.696 121.175 120.400 0.132 0.000 2.276 217 K HA 0.226 4.532 4.320 -0.023 0.000 0.259 217 K C -1.575 175.088 176.600 0.105 0.000 1.001 217 K CA -1.204 55.149 56.287 0.110 0.000 0.927 217 K CB 1.231 33.794 32.500 0.104 0.000 0.969 217 K HN 0.052 nan 8.250 nan 0.000 0.490 218 P HA -0.220 nan 4.420 nan 0.000 0.215 218 P C 1.047 178.381 177.300 0.056 0.000 1.163 218 P CA 1.492 64.616 63.100 0.040 0.000 0.894 218 P CB 0.123 31.809 31.700 -0.023 0.000 0.791 219 L N -0.942 120.309 121.223 0.046 0.000 2.201 219 L HA -0.142 4.185 4.340 -0.023 0.000 0.212 219 L C 2.324 179.304 176.870 0.183 0.000 1.105 219 L CA 1.321 56.191 54.840 0.050 0.000 0.775 219 L CB -0.823 41.282 42.059 0.076 0.000 0.913 219 L HN 0.062 nan 8.230 nan 0.000 0.440 220 E N -0.024 120.311 120.200 0.226 0.000 2.110 220 E HA -0.224 4.113 4.350 -0.023 0.000 0.193 220 E C 2.093 178.867 176.600 0.291 0.000 0.988 220 E CA 0.947 57.536 56.400 0.315 0.000 0.804 220 E CB 0.036 29.889 29.700 0.255 0.000 0.745 220 E HN 0.265 nan 8.360 nan 0.000 0.458 221 L N -0.454 120.900 121.223 0.218 0.000 2.131 221 L HA -0.115 4.212 4.340 -0.023 0.000 0.206 221 L C 2.094 179.074 176.870 0.183 0.000 1.087 221 L CA 1.399 56.362 54.840 0.205 0.000 0.767 221 L CB -0.636 41.531 42.059 0.181 0.000 0.917 221 L HN 0.185 nan 8.230 nan 0.000 0.441 222 Y N -0.883 119.414 120.300 -0.004 0.000 2.184 222 Y HA -0.199 4.344 4.550 -0.012 0.000 0.290 222 Y C 2.778 178.646 175.900 -0.052 0.000 1.129 222 Y CA 1.694 59.739 58.100 -0.091 0.000 1.144 222 Y CB -0.052 38.271 38.460 -0.228 0.000 0.995 222 Y HN 0.233 nan 8.280 nan 0.000 0.513 223 H N -1.606 117.492 119.070 0.047 0.000 2.372 223 H HA 0.008 4.549 4.556 -0.024 0.000 0.301 223 H C -0.135 174.938 175.328 -0.425 0.000 1.065 223 H CA 1.260 57.121 56.048 -0.312 0.000 1.364 223 H CB -0.259 29.088 29.762 -0.692 0.000 1.406 223 H HN 0.306 nan 8.280 nan 0.000 0.521 224 Y N 1.434 121.940 120.300 0.344 0.000 2.638 224 Y HA 0.284 4.822 4.550 -0.020 0.000 0.367 224 Y C -2.246 173.807 175.900 0.256 0.000 1.001 224 Y CA -3.245 55.016 58.100 0.269 0.000 1.133 224 Y CB 0.498 39.072 38.460 0.190 0.000 1.199 224 Y HN 0.041 nan 8.280 nan 0.000 0.642 225 P HA 0.100 nan 4.420 nan 0.000 0.271 225 P C 0.500 178.021 177.300 0.368 0.000 1.216 225 P CA 0.240 63.534 63.100 0.323 0.000 0.776 225 P CB 1.988 33.845 31.700 0.262 0.000 0.881 226 A N 2.956 125.954 122.820 0.297 0.000 2.067 226 A HA -0.009 4.298 4.320 -0.023 0.000 0.217 226 A C 0.606 178.373 177.584 0.305 0.000 1.156 226 A CA 1.320 53.513 52.037 0.261 0.000 0.683 226 A CB -0.597 18.519 19.000 0.192 0.000 0.808 226 A HN 0.717 nan 8.150 nan 0.000 0.455 227 D N -4.371 116.235 120.400 0.343 0.000 2.643 227 D HA 0.286 4.912 4.640 -0.023 0.000 0.283 227 D C 0.434 176.789 176.300 0.091 0.000 1.242 227 D CA -0.808 53.387 54.000 0.324 0.000 0.863 227 D CB 0.269 41.185 40.800 0.193 0.000 1.382 227 D HN -0.137 nan 8.370 nan 0.000 0.444 228 R N -0.833 119.495 120.500 -0.287 0.000 2.105 228 R HA -0.082 4.244 4.340 -0.023 0.000 0.239 228 R C 1.826 177.920 176.300 -0.343 0.000 1.135 228 R CA 1.326 56.946 56.100 -0.800 0.000 0.967 228 R CB -0.519 29.301 30.300 -0.801 0.000 0.861 228 R HN 0.443 nan 8.270 nan 0.000 0.442 229 F N 0.981 120.811 119.950 -0.200 0.000 2.069 229 F HA -0.257 4.258 4.527 -0.021 0.000 0.298 229 F C 2.084 177.897 175.800 0.022 0.000 1.113 229 F CA 1.557 59.506 58.000 -0.085 0.000 1.214 229 F CB -0.422 38.537 39.000 -0.068 0.000 0.978 229 F HN -0.265 nan 8.300 nan 0.000 0.474 230 V N 0.506 120.449 119.914 0.049 0.000 2.343 230 V HA -0.288 3.818 4.120 -0.023 0.000 0.247 230 V C 2.737 178.841 176.094 0.017 0.000 1.051 230 V CA 1.720 64.056 62.300 0.059 0.000 1.036 230 V CB -1.653 30.282 31.823 0.186 0.000 0.654 230 V HN 0.502 nan 8.190 nan 0.000 0.451 231 A N 0.478 123.301 122.820 0.004 0.000 1.933 231 A HA -0.079 4.227 4.320 -0.023 0.000 0.218 231 A C 2.250 179.836 177.584 0.003 0.000 1.175 231 A CA 1.914 53.948 52.037 -0.005 0.000 0.628 231 A CB -0.870 18.140 19.000 0.017 0.000 0.814 231 A HN 0.568 nan 8.150 nan 0.000 0.444 232 G N -3.037 105.785 108.800 0.036 0.000 3.042 232 G HA2 0.194 4.141 3.960 -0.023 0.000 0.212 232 G HA3 0.194 4.141 3.960 -0.023 0.000 0.212 232 G C 1.047 175.912 174.900 -0.058 0.000 1.166 232 G CA 0.614 45.761 45.100 0.078 0.000 0.767 232 G HN 0.424 nan 8.290 nan 0.000 0.546 233 F N 0.611 120.390 119.950 -0.285 0.000 2.383 233 F HA 0.436 4.951 4.527 -0.020 0.000 0.287 233 F C 0.536 176.260 175.800 -0.128 0.000 1.069 233 F CA -0.608 57.221 58.000 -0.284 0.000 1.402 233 F CB 0.394 39.096 39.000 -0.497 0.000 1.116 233 F HN -0.155 nan 8.300 nan 0.000 0.549 234 I N 1.278 121.812 120.570 -0.060 0.000 2.337 234 I HA 0.496 4.652 4.170 -0.023 0.000 0.291 234 I C 0.246 176.325 176.117 -0.063 0.000 1.046 234 I CA -0.203 61.066 61.300 -0.051 0.000 1.324 234 I CB 0.573 38.624 38.000 0.084 0.000 1.409 234 I HN 0.301 nan 8.210 nan 0.000 0.494 235 G N 3.439 112.194 108.800 -0.075 0.000 2.781 235 G HA2 -0.048 3.898 3.960 -0.023 0.000 0.468 235 G HA3 -0.048 3.898 3.960 -0.023 0.000 0.468 235 G C 0.256 175.091 174.900 -0.108 0.000 1.186 235 G CA -0.138 44.938 45.100 -0.040 0.000 1.220 235 G HN 0.627 nan 8.290 nan 0.000 0.564 236 S N 1.460 117.102 115.700 -0.096 0.000 2.380 236 S HA -0.144 4.313 4.470 -0.023 0.000 0.290 236 S C -0.703 173.834 174.600 -0.105 0.000 1.080 236 S CA 2.218 60.355 58.200 -0.105 0.000 1.468 236 S CB -0.570 62.579 63.200 -0.085 0.000 1.303 236 S HN 0.581 nan 8.310 nan 0.000 0.457 237 P HA 0.324 nan 4.420 nan 0.000 0.293 237 P C -0.883 176.341 177.300 -0.127 0.000 1.313 237 P CA -0.309 62.734 63.100 -0.096 0.000 0.787 237 P CB 0.857 32.502 31.700 -0.092 0.000 0.910 238 K N 3.802 124.128 120.400 -0.123 0.000 2.586 238 K HA -0.049 4.257 4.320 -0.023 0.000 0.280 238 K C 0.440 176.896 176.600 -0.241 0.000 0.972 238 K CA 0.077 56.275 56.287 -0.148 0.000 1.040 238 K CB 0.217 32.668 32.500 -0.081 0.000 0.870 238 K HN 0.505 nan 8.250 nan 0.000 0.497 239 M N 3.678 123.069 119.600 -0.349 0.000 2.250 239 M HA -0.087 4.380 4.480 -0.023 0.000 0.337 239 M C -0.536 175.289 176.300 -0.792 0.000 1.161 239 M CA 0.742 55.700 55.300 -0.570 0.000 1.088 239 M CB 0.270 32.435 32.600 -0.726 0.000 1.639 239 M HN 0.565 nan 8.290 nan 0.000 0.447 240 N N 3.046 121.396 118.700 -0.584 0.000 2.529 240 N HA 0.412 5.139 4.740 -0.023 0.000 0.278 240 N C -1.784 173.381 175.510 -0.575 0.000 1.146 240 N CA -0.143 52.648 53.050 -0.431 0.000 0.980 240 N CB 0.764 39.144 38.487 -0.178 0.000 1.124 240 N HN 0.345 nan 8.380 nan 0.000 0.458 241 F N 1.655 121.615 119.950 0.015 0.000 2.507 241 F HA 0.440 4.954 4.527 -0.021 0.000 0.328 241 F C -0.506 175.321 175.800 0.044 0.000 1.136 241 F CA -0.751 57.274 58.000 0.041 0.000 0.930 241 F CB 0.982 39.985 39.000 0.004 0.000 1.166 241 F HN 0.075 nan 8.300 nan 0.000 0.436 242 L N 5.382 126.744 121.223 0.232 0.000 2.341 242 L HA 0.544 4.871 4.340 -0.023 0.000 0.278 242 L C -2.507 174.446 176.870 0.138 0.000 1.005 242 L CA -2.187 52.739 54.840 0.143 0.000 0.818 242 L CB 2.021 44.138 42.059 0.097 0.000 1.259 242 L HN 0.303 nan 8.230 nan 0.000 0.418 243 P HA 0.145 nan 4.420 nan 0.000 0.276 243 P C -0.666 176.669 177.300 0.059 0.000 1.253 243 P CA -0.082 63.065 63.100 0.078 0.000 0.766 243 P CB 1.478 33.212 31.700 0.055 0.000 0.845 244 V N 0.884 120.833 119.914 0.058 0.000 3.126 244 V HA 0.698 4.805 4.120 -0.023 0.000 0.314 244 V C -0.525 175.578 176.094 0.016 0.000 1.138 244 V CA -1.275 61.043 62.300 0.031 0.000 1.034 244 V CB 2.403 34.243 31.823 0.030 0.000 1.075 244 V HN 0.394 nan 8.190 nan 0.000 0.442 245 K N 1.245 121.641 120.400 -0.007 0.000 2.463 245 K HA 0.650 4.957 4.320 -0.023 0.000 0.255 245 K C -1.147 175.427 176.600 -0.042 0.000 0.942 245 K CA -0.725 55.552 56.287 -0.017 0.000 0.814 245 K CB 2.098 34.588 32.500 -0.018 0.000 1.122 245 K HN 0.872 nan 8.250 nan 0.000 0.425 246 V N 4.562 124.452 119.914 -0.041 0.000 2.585 246 V HA 0.062 4.168 4.120 -0.023 0.000 0.296 246 V C 0.783 176.826 176.094 -0.086 0.000 1.035 246 V CA 1.167 63.424 62.300 -0.071 0.000 1.084 246 V CB 1.068 32.861 31.823 -0.050 0.000 0.953 246 V HN 1.059 nan 8.190 nan 0.000 0.483 247 T N 3.197 117.667 114.554 -0.141 0.000 2.985 247 T HA 0.694 5.031 4.350 -0.023 0.000 0.254 247 T C 0.278 174.889 174.700 -0.148 0.000 1.021 247 T CA 0.402 62.420 62.100 -0.136 0.000 0.957 247 T CB 0.416 69.189 68.868 -0.158 0.000 1.047 247 T HN 1.576 nan 8.240 nan 0.000 0.511 248 A N 0.974 123.675 122.820 -0.200 0.000 2.583 248 A HA 0.699 5.005 4.320 -0.023 0.000 0.292 248 A C -0.590 176.939 177.584 -0.093 0.000 1.045 248 A CA -0.433 51.522 52.037 -0.137 0.000 0.672 248 A CB 0.960 19.861 19.000 -0.165 0.000 1.283 248 A HN 0.757 nan 8.150 nan 0.000 0.419 249 T N -1.548 113.058 114.554 0.086 0.000 2.883 249 T HA 1.030 5.366 4.350 -0.023 0.000 0.301 249 T C -0.269 174.588 174.700 0.263 0.000 1.158 249 T CA 0.142 62.342 62.100 0.167 0.000 1.007 249 T CB 1.562 70.482 68.868 0.087 0.000 1.186 249 T HN 2.564 nan 8.240 nan 0.000 0.499 250 A N 1.397 124.370 122.820 0.254 0.000 2.534 250 A HA 0.727 5.033 4.320 -0.023 0.000 0.300 250 A C -1.047 176.588 177.584 0.084 0.000 1.223 250 A CA -1.067 51.060 52.037 0.149 0.000 0.666 250 A CB 0.635 19.689 19.000 0.091 0.000 1.316 250 A HN 0.847 nan 8.150 nan 0.000 0.468 251 I N 1.864 122.451 120.570 0.029 0.000 2.618 251 I HA 0.110 4.266 4.170 -0.023 0.000 0.284 251 I C -0.093 176.034 176.117 0.017 0.000 1.146 251 I CA 0.667 61.976 61.300 0.015 0.000 1.425 251 I CB -0.525 37.470 38.000 -0.008 0.000 1.383 251 I HN 0.671 nan 8.210 nan 0.000 0.562 252 D N 4.579 124.994 120.400 0.025 0.000 2.706 252 D HA -0.235 4.391 4.640 -0.023 0.000 0.230 252 D C 0.250 176.580 176.300 0.050 0.000 1.184 252 D CA 1.019 55.035 54.000 0.027 0.000 0.628 252 D CB -0.438 40.367 40.800 0.007 0.000 1.019 252 D HN 0.683 nan 8.370 nan 0.000 0.415 253 Q N -1.026 118.834 119.800 0.100 0.000 2.468 253 Q HA 0.447 4.774 4.340 -0.023 0.000 0.263 253 Q C -1.832 174.351 176.000 0.304 0.000 0.979 253 Q CA -0.650 55.270 55.803 0.196 0.000 0.932 253 Q CB 2.161 30.980 28.738 0.135 0.000 1.462 253 Q HN -0.002 nan 8.270 nan 0.000 0.403 254 V N 2.820 122.907 119.914 0.289 0.000 2.760 254 V HA 0.455 4.562 4.120 -0.023 0.000 0.309 254 V C -0.852 175.221 176.094 -0.035 0.000 1.077 254 V CA -0.705 61.672 62.300 0.129 0.000 0.910 254 V CB 1.959 33.809 31.823 0.045 0.000 1.008 254 V HN 0.743 nan 8.190 nan 0.000 0.424 255 Q N 2.949 122.505 119.800 -0.407 0.000 2.312 255 Q HA 0.818 5.145 4.340 -0.023 0.000 0.263 255 Q C -1.216 174.548 176.000 -0.393 0.000 0.995 255 Q CA -0.500 54.864 55.803 -0.732 0.000 0.853 255 Q CB 2.290 30.047 28.738 -1.635 0.000 1.300 255 Q HN 0.822 nan 8.270 nan 0.000 0.448 256 V N 0.310 120.051 119.914 -0.288 0.000 3.102 256 V HA 0.710 4.817 4.120 -0.023 0.000 0.312 256 V C -1.344 174.665 176.094 -0.142 0.000 1.135 256 V CA -0.958 61.243 62.300 -0.165 0.000 1.022 256 V CB 1.891 33.664 31.823 -0.084 0.000 1.056 256 V HN 0.959 nan 8.190 nan 0.000 0.436 257 E N 2.673 122.818 120.200 -0.092 0.000 2.171 257 E HA 0.653 4.990 4.350 -0.023 0.000 0.271 257 E C -0.784 175.794 176.600 -0.035 0.000 0.916 257 E CA -0.892 55.467 56.400 -0.069 0.000 0.774 257 E CB 1.977 31.640 29.700 -0.061 0.000 1.128 257 E HN 0.744 nan 8.360 nan 0.000 0.403 258 L N 3.685 124.892 121.223 -0.026 0.000 2.483 258 L HA 0.195 4.522 4.340 -0.023 0.000 0.277 258 L C -1.570 175.300 176.870 -0.001 0.000 1.248 258 L CA -1.439 53.397 54.840 -0.006 0.000 0.825 258 L CB -0.084 41.973 42.059 -0.004 0.000 1.096 258 L HN 0.591 nan 8.230 nan 0.000 0.512 259 P HA 0.158 nan 4.420 nan 0.000 0.279 259 P C -0.009 177.297 177.300 0.009 0.000 1.282 259 P CA -0.409 62.698 63.100 0.012 0.000 0.788 259 P CB 0.879 32.593 31.700 0.023 0.000 1.139 260 M N -2.797 116.809 119.600 0.009 0.000 7.319 260 M HA -0.245 4.221 4.480 -0.023 0.000 0.087 260 M C -1.237 175.065 176.300 0.004 0.000 0.480 260 M CA 1.290 56.595 55.300 0.008 0.000 1.311 260 M CB -3.296 29.311 32.600 0.012 0.000 0.421 260 M HN 0.303 nan 8.290 nan 0.000 0.222 261 P HA -0.113 nan 4.420 nan 0.000 0.214 261 P C 0.521 177.820 177.300 -0.000 0.000 1.169 261 P CA 1.577 64.678 63.100 0.002 0.000 0.908 261 P CB -0.202 31.499 31.700 0.003 0.000 0.791 262 N N 0.593 119.293 118.700 0.000 0.000 2.418 262 N HA -0.096 4.631 4.740 -0.023 0.000 0.277 262 N C 0.408 175.914 175.510 -0.006 0.000 1.317 262 N CA 0.620 53.668 53.050 -0.003 0.000 0.922 262 N CB -0.028 38.458 38.487 -0.001 0.000 1.194 262 N HN 0.035 nan 8.380 nan 0.000 0.485 263 R N 2.334 122.828 120.500 -0.010 0.000 2.546 263 R HA 0.056 4.382 4.340 -0.023 0.000 0.320 263 R C 0.151 176.437 176.300 -0.023 0.000 1.021 263 R CA -0.306 55.785 56.100 -0.015 0.000 1.088 263 R CB 0.309 30.600 30.300 -0.014 0.000 1.278 263 R HN 0.658 nan 8.270 nan 0.000 0.557 264 Q N 1.769 121.557 119.800 -0.020 0.000 2.304 264 Q HA -0.086 4.240 4.340 -0.023 0.000 0.301 264 Q C -0.646 175.329 176.000 -0.042 0.000 1.063 264 Q CA 0.889 56.677 55.803 -0.024 0.000 0.947 264 Q CB 0.616 29.344 28.738 -0.016 0.000 1.201 264 Q HN 0.158 nan 8.270 nan 0.000 0.389 265 Q N 2.233 121.999 119.800 -0.056 0.000 2.271 265 Q HA 0.540 4.867 4.340 -0.023 0.000 0.258 265 Q C -1.196 174.738 176.000 -0.110 0.000 0.936 265 Q CA -0.712 55.026 55.803 -0.109 0.000 0.909 265 Q CB 2.054 30.709 28.738 -0.139 0.000 1.253 265 Q HN 0.397 nan 8.270 nan 0.000 0.440 266 V N 1.518 121.340 119.914 -0.152 0.000 2.789 266 V HA 0.388 4.495 4.120 -0.023 0.000 0.311 266 V C -1.214 174.789 176.094 -0.153 0.000 1.073 266 V CA -1.055 61.193 62.300 -0.087 0.000 0.921 266 V CB 1.618 33.426 31.823 -0.024 0.000 1.009 266 V HN 0.724 nan 8.190 nan 0.000 0.426 267 W N 4.112 125.405 121.300 -0.012 0.000 2.351 267 W HA 0.730 5.376 4.660 -0.023 0.000 0.311 267 W C -0.439 176.068 176.519 -0.021 0.000 1.168 267 W CA -0.296 57.041 57.345 -0.014 0.000 1.200 267 W CB 1.139 30.590 29.460 -0.014 0.000 1.221 267 W HN 0.326 nan 8.180 nan 0.000 0.519 268 L N 6.124 127.480 121.223 0.222 0.000 2.362 268 L HA 0.396 4.722 4.340 -0.023 0.000 0.275 268 L C -1.884 175.060 176.870 0.122 0.000 0.998 268 L CA -2.257 52.652 54.840 0.115 0.000 0.820 268 L CB 1.971 44.057 42.059 0.046 0.000 1.270 268 L HN 0.168 nan 8.230 nan 0.000 0.415 269 P HA 0.074 nan 4.420 nan 0.000 0.237 269 P C -0.651 176.680 177.300 0.050 0.000 1.788 269 P CA 0.041 63.179 63.100 0.064 0.000 1.061 269 P CB 0.047 31.776 31.700 0.049 0.000 1.967 270 V N -0.298 119.647 119.914 0.051 0.000 2.914 270 V HA 0.526 4.633 4.120 -0.023 0.000 0.314 270 V C 0.053 176.167 176.094 0.034 0.000 1.084 270 V CA -1.717 60.599 62.300 0.028 0.000 0.963 270 V CB 1.969 33.792 31.823 -0.001 0.000 1.025 270 V HN 0.289 nan 8.190 nan 0.000 0.432 271 E N 1.833 122.045 120.200 0.019 0.000 2.414 271 E HA 0.196 4.532 4.350 -0.023 0.000 0.263 271 E C 0.709 177.325 176.600 0.027 0.000 1.000 271 E CA 0.347 56.759 56.400 0.020 0.000 0.914 271 E CB 0.982 30.688 29.700 0.009 0.000 0.948 271 E HN 0.943 nan 8.360 nan 0.000 0.444 272 S N 3.173 118.895 115.700 0.036 0.000 2.575 272 S HA -0.021 4.436 4.470 -0.023 0.000 0.215 272 S C 1.563 176.181 174.600 0.030 0.000 0.966 272 S CA -0.115 58.110 58.200 0.040 0.000 0.911 272 S CB -0.065 63.170 63.200 0.058 0.000 0.780 272 S HN 0.647 nan 8.310 nan 0.000 0.514 273 R N 1.947 122.461 120.500 0.024 0.000 2.307 273 R HA -0.282 4.044 4.340 -0.023 0.000 0.224 273 R C 0.365 176.678 176.300 0.021 0.000 1.106 273 R CA 2.566 58.678 56.100 0.020 0.000 0.840 273 R CB -0.862 29.448 30.300 0.018 0.000 0.952 273 R HN 0.537 nan 8.270 nan 0.000 0.401 274 D N -0.031 120.382 120.400 0.022 0.000 3.008 274 D HA 0.171 4.798 4.640 -0.023 0.000 0.312 274 D C -1.320 174.993 176.300 0.022 0.000 1.361 274 D CA -0.229 53.784 54.000 0.022 0.000 0.858 274 D CB 0.665 41.479 40.800 0.024 0.000 1.098 274 D HN 0.072 nan 8.370 nan 0.000 0.482 275 V N 0.722 120.649 119.914 0.022 0.000 2.513 275 V HA 0.534 4.640 4.120 -0.023 0.000 0.299 275 V C -1.181 174.923 176.094 0.017 0.000 1.035 275 V CA -0.470 61.841 62.300 0.019 0.000 0.889 275 V CB 1.717 33.550 31.823 0.017 0.000 0.988 275 V HN 0.260 nan 8.190 nan 0.000 0.440 276 Q N 4.396 124.203 119.800 0.012 0.000 2.356 276 Q HA 0.555 4.881 4.340 -0.023 0.000 0.270 276 Q C -1.203 174.797 176.000 0.001 0.000 1.058 276 Q CA -0.759 55.050 55.803 0.009 0.000 0.802 276 Q CB 2.286 31.030 28.738 0.010 0.000 1.303 276 Q HN 0.721 nan 8.270 nan 0.000 0.444 277 V N 3.297 123.209 119.914 -0.002 0.000 2.752 277 V HA 0.054 4.161 4.120 -0.023 0.000 0.306 277 V C 1.449 177.536 176.094 -0.011 0.000 1.099 277 V CA 2.155 64.448 62.300 -0.013 0.000 1.240 277 V CB 0.363 32.181 31.823 -0.009 0.000 0.887 277 V HN 1.159 nan 8.190 nan 0.000 0.499 278 G N 3.165 111.954 108.800 -0.018 0.000 2.241 278 G HA2 -0.121 3.825 3.960 -0.023 0.000 0.244 278 G HA3 -0.121 3.825 3.960 -0.023 0.000 0.244 278 G C 0.480 175.376 174.900 -0.007 0.000 0.998 278 G CA 0.130 45.223 45.100 -0.012 0.000 0.621 278 G HN 1.726 nan 8.290 nan 0.000 0.519 279 A N 0.491 123.309 122.820 -0.004 0.000 2.520 279 A HA 0.491 4.798 4.320 -0.023 0.000 0.245 279 A C 0.477 178.065 177.584 0.007 0.000 1.072 279 A CA 0.160 52.200 52.037 0.004 0.000 0.761 279 A CB 0.125 19.130 19.000 0.009 0.000 1.004 279 A HN 0.392 nan 8.150 nan 0.000 0.499 280 N N 2.576 121.284 118.700 0.013 0.000 2.408 280 N HA 0.401 5.128 4.740 -0.023 0.000 0.257 280 N C -0.409 175.121 175.510 0.033 0.000 1.064 280 N CA 0.414 53.475 53.050 0.019 0.000 0.952 280 N CB 0.911 39.409 38.487 0.017 0.000 1.093 280 N HN 0.649 nan 8.380 nan 0.000 0.490 281 M N -0.146 119.480 119.600 0.043 0.000 2.745 281 M HA 0.314 4.780 4.480 -0.023 0.000 0.290 281 M C -0.133 176.231 176.300 0.107 0.000 1.262 281 M CA -0.822 54.522 55.300 0.073 0.000 0.795 281 M CB 1.891 34.529 32.600 0.065 0.000 1.758 281 M HN 0.166 nan 8.290 nan 0.000 0.461 282 S N 1.259 117.066 115.700 0.177 0.000 2.449 282 S HA 0.616 5.073 4.470 -0.023 0.000 0.310 282 S C -1.267 173.551 174.600 0.363 0.000 1.096 282 S CA -0.724 57.627 58.200 0.252 0.000 1.095 282 S CB 0.695 64.030 63.200 0.225 0.000 1.007 282 S HN 0.575 nan 8.310 nan 0.000 0.474 283 L N 5.177 126.580 121.223 0.301 0.000 2.275 283 L HA 0.798 5.125 4.340 -0.023 0.000 0.288 283 L C 0.314 177.405 176.870 0.368 0.000 1.046 283 L CA -0.312 54.689 54.840 0.269 0.000 0.805 283 L CB 0.793 42.940 42.059 0.146 0.000 1.193 283 L HN 0.747 nan 8.230 nan 0.000 0.426 284 G N 5.116 114.165 108.800 0.416 0.000 2.416 284 G HA2 0.601 4.547 3.960 -0.023 0.000 0.324 284 G HA3 0.601 4.547 3.960 -0.023 0.000 0.324 284 G C -1.636 173.385 174.900 0.201 0.000 1.194 284 G CA -0.375 44.916 45.100 0.318 0.000 0.922 284 G HN 0.540 nan 8.290 nan 0.000 0.467 285 I N 1.028 121.609 120.570 0.018 0.000 2.586 285 I HA 0.446 4.602 4.170 -0.023 0.000 0.288 285 I C -0.068 176.012 176.117 -0.062 0.000 1.147 285 I CA -0.861 60.480 61.300 0.068 0.000 1.047 285 I CB 1.636 39.681 38.000 0.075 0.000 1.244 285 I HN 0.514 nan 8.210 nan 0.000 0.429 286 R N 7.419 127.877 120.500 -0.070 0.000 2.594 286 R HA 0.283 4.610 4.340 -0.023 0.000 0.272 286 R C -1.772 174.452 176.300 -0.127 0.000 1.074 286 R CA -1.174 54.790 56.100 -0.226 0.000 1.105 286 R CB 0.163 30.174 30.300 -0.481 0.000 1.008 286 R HN 0.419 nan 8.270 nan 0.000 0.472 287 P HA -0.198 nan 4.420 nan 0.000 0.216 287 P C 0.160 177.422 177.300 -0.063 0.000 1.153 287 P CA 1.404 64.460 63.100 -0.074 0.000 0.858 287 P CB 0.270 31.893 31.700 -0.128 0.000 0.789 288 E N -2.301 117.831 120.200 -0.114 0.000 2.418 288 E HA -0.142 4.194 4.350 -0.023 0.000 0.197 288 E C 1.433 178.103 176.600 0.118 0.000 1.026 288 E CA 0.892 57.256 56.400 -0.059 0.000 0.862 288 E CB -0.882 28.784 29.700 -0.057 0.000 0.799 288 E HN 0.559 nan 8.360 nan 0.000 0.518 289 H N -0.537 118.568 119.070 0.058 0.000 2.592 289 H HA 0.213 4.754 4.556 -0.025 0.000 0.265 289 H C 0.165 175.554 175.328 0.102 0.000 0.955 289 H CA -0.631 55.464 56.048 0.077 0.000 1.175 289 H CB 0.446 30.246 29.762 0.063 0.000 1.433 289 H HN 0.038 nan 8.280 nan 0.000 0.537 290 L N 2.119 123.504 121.223 0.270 0.000 2.456 290 L HA 0.071 4.397 4.340 -0.023 0.000 0.272 290 L C -0.130 176.926 176.870 0.309 0.000 1.189 290 L CA 0.034 55.033 54.840 0.266 0.000 0.846 290 L CB 0.843 43.111 42.059 0.347 0.000 1.111 290 L HN 0.111 nan 8.230 nan 0.000 0.475 291 L N 4.337 125.657 121.223 0.163 0.000 2.387 291 L HA 0.334 4.661 4.340 -0.023 0.000 0.266 291 L C -1.297 175.602 176.870 0.048 0.000 1.059 291 L CA -1.562 53.356 54.840 0.129 0.000 0.801 291 L CB 1.194 43.284 42.059 0.052 0.000 1.223 291 L HN 0.451 nan 8.230 nan 0.000 0.456 292 P HA -0.112 nan 4.420 nan 0.000 0.233 292 P C 0.353 177.559 177.300 -0.156 0.000 1.167 292 P CA 0.646 63.725 63.100 -0.035 0.000 0.770 292 P CB 0.414 32.154 31.700 0.067 0.000 0.837 293 S N 0.896 116.530 115.700 -0.110 0.000 3.963 293 S HA -0.122 4.335 4.470 -0.023 0.000 0.438 293 S C 0.024 174.563 174.600 -0.102 0.000 0.879 293 S CA 0.333 58.458 58.200 -0.124 0.000 1.262 293 S CB -2.478 60.602 63.200 -0.199 0.000 0.850 293 S HN 0.533 nan 8.310 nan 0.000 0.570 294 D N 2.950 123.314 120.400 -0.060 0.000 2.639 294 D HA 0.303 4.929 4.640 -0.023 0.000 0.233 294 D C 0.549 176.825 176.300 -0.040 0.000 1.161 294 D CA -0.037 53.935 54.000 -0.047 0.000 1.003 294 D CB -0.358 40.425 40.800 -0.028 0.000 1.034 294 D HN 0.976 nan 8.370 nan 0.000 0.514 295 I N 1.006 121.547 120.570 -0.049 0.000 8.460 295 I HA -0.247 3.909 4.170 -0.023 0.000 0.126 295 I C -1.439 174.659 176.117 -0.031 0.000 1.782 295 I CA 0.495 61.771 61.300 -0.039 0.000 2.151 295 I CB -0.483 37.500 38.000 -0.029 0.000 3.701 295 I HN 0.504 nan 8.210 nan 0.000 0.203 296 A N 5.673 128.474 122.820 -0.032 0.000 2.401 296 A HA 0.759 5.066 4.320 -0.023 0.000 0.310 296 A C 0.263 177.834 177.584 -0.021 0.000 1.075 296 A CA -0.222 51.801 52.037 -0.024 0.000 0.746 296 A CB 0.783 19.769 19.000 -0.024 0.000 1.277 296 A HN 0.703 nan 8.150 nan 0.000 0.425 297 D N 0.714 121.107 120.400 -0.012 0.000 2.338 297 D HA 0.165 4.792 4.640 -0.023 0.000 0.239 297 D C -0.087 176.210 176.300 -0.005 0.000 1.095 297 D CA 0.763 54.759 54.000 -0.006 0.000 0.888 297 D CB -0.064 40.738 40.800 0.003 0.000 0.899 297 D HN 0.131 nan 8.370 nan 0.000 0.525 298 V N 1.478 121.386 119.914 -0.011 0.000 2.498 298 V HA 0.327 4.434 4.120 -0.023 0.000 0.283 298 V C -0.229 175.852 176.094 -0.022 0.000 1.015 298 V CA -0.699 61.594 62.300 -0.011 0.000 0.867 298 V CB 1.628 33.449 31.823 -0.003 0.000 1.025 298 V HN -0.077 nan 8.190 nan 0.000 0.441 299 I N 5.136 125.689 120.570 -0.029 0.000 2.474 299 I HA 0.561 4.717 4.170 -0.023 0.000 0.294 299 I C -0.728 175.365 176.117 -0.040 0.000 1.005 299 I CA -0.656 60.617 61.300 -0.045 0.000 1.113 299 I CB 2.219 40.184 38.000 -0.058 0.000 1.289 299 I HN 0.369 nan 8.210 nan 0.000 0.436 300 L N 5.781 126.975 121.223 -0.047 0.000 2.333 300 L HA 0.545 4.872 4.340 -0.023 0.000 0.280 300 L C -0.453 176.389 176.870 -0.047 0.000 1.004 300 L CA -0.432 54.389 54.840 -0.033 0.000 0.820 300 L CB 1.817 43.866 42.059 -0.017 0.000 1.247 300 L HN 0.581 nan 8.230 nan 0.000 0.416 301 E N 1.603 121.783 120.200 -0.033 0.000 2.199 301 E HA 0.755 5.092 4.350 -0.023 0.000 0.269 301 E C -0.691 175.910 176.600 0.002 0.000 0.899 301 E CA -0.468 55.911 56.400 -0.033 0.000 0.772 301 E CB 2.366 32.041 29.700 -0.042 0.000 1.155 301 E HN 0.731 nan 8.360 nan 0.000 0.408 302 G N 2.516 111.334 108.800 0.029 0.000 2.782 302 G HA2 0.316 4.262 3.960 -0.023 0.000 0.304 302 G HA3 0.316 4.262 3.960 -0.023 0.000 0.304 302 G C -1.319 173.624 174.900 0.072 0.000 1.315 302 G CA -0.687 44.441 45.100 0.048 0.000 0.791 302 G HN 0.499 nan 8.290 nan 0.000 0.519 303 E N 0.118 120.356 120.200 0.064 0.000 2.145 303 E HA 0.430 4.766 4.350 -0.023 0.000 0.270 303 E C -0.440 176.200 176.600 0.066 0.000 0.906 303 E CA -0.636 55.802 56.400 0.064 0.000 0.761 303 E CB 2.591 32.317 29.700 0.044 0.000 1.116 303 E HN 0.214 nan 8.360 nan 0.000 0.408 304 V N 4.282 124.236 119.914 0.067 0.000 2.584 304 V HA -0.144 3.962 4.120 -0.023 0.000 0.303 304 V C 1.068 177.180 176.094 0.031 0.000 1.035 304 V CA 0.765 63.089 62.300 0.041 0.000 1.172 304 V CB 0.471 32.296 31.823 0.003 0.000 0.896 304 V HN 0.778 nan 8.190 nan 0.000 0.486 305 Q N 3.586 123.412 119.800 0.043 0.000 2.387 305 Q HA 0.261 4.588 4.340 -0.023 0.000 0.208 305 Q C 0.018 176.003 176.000 -0.025 0.000 0.935 305 Q CA 0.762 56.578 55.803 0.021 0.000 0.891 305 Q CB 1.006 29.772 28.738 0.046 0.000 1.007 305 Q HN 0.611 nan 8.270 nan 0.000 0.548 306 V N 0.628 120.518 119.914 -0.039 0.000 2.876 306 V HA 0.524 4.631 4.120 -0.023 0.000 0.312 306 V C -0.737 175.308 176.094 -0.081 0.000 1.085 306 V CA -0.811 61.400 62.300 -0.148 0.000 0.945 306 V CB 2.647 34.194 31.823 -0.460 0.000 1.017 306 V HN -0.156 nan 8.190 nan 0.000 0.428 307 V N 2.624 122.486 119.914 -0.087 0.000 2.569 307 V HA 0.451 4.557 4.120 -0.023 0.000 0.301 307 V C -0.664 175.397 176.094 -0.055 0.000 1.044 307 V CA -0.566 61.702 62.300 -0.054 0.000 0.874 307 V CB 1.889 33.675 31.823 -0.060 0.000 1.002 307 V HN 0.953 nan 8.190 nan 0.000 0.424 308 E N 4.113 124.293 120.200 -0.033 0.000 2.129 308 E HA 0.429 4.765 4.350 -0.023 0.000 0.268 308 E C -1.042 175.540 176.600 -0.030 0.000 0.900 308 E CA -0.743 55.637 56.400 -0.033 0.000 0.755 308 E CB 1.838 31.526 29.700 -0.019 0.000 1.117 308 E HN 0.509 nan 8.360 nan 0.000 0.410 309 Q N 3.256 123.037 119.800 -0.031 0.000 2.398 309 Q HA 0.240 4.567 4.340 -0.023 0.000 0.251 309 Q C 0.482 176.466 176.000 -0.026 0.000 0.999 309 Q CA -0.103 55.682 55.803 -0.028 0.000 0.874 309 Q CB 1.310 30.033 28.738 -0.025 0.000 1.215 309 Q HN 0.616 nan 8.270 nan 0.000 0.470 310 L N 0.226 121.432 121.223 -0.028 0.000 2.640 310 L HA 0.227 4.554 4.340 -0.023 0.000 0.230 310 L C 1.299 178.154 176.870 -0.024 0.000 1.123 310 L CA 0.333 55.157 54.840 -0.026 0.000 0.900 310 L CB 0.133 42.175 42.059 -0.030 0.000 1.146 310 L HN 0.923 nan 8.230 nan 0.000 0.484 311 G N 1.770 110.557 108.800 -0.023 0.000 3.329 311 G HA2 -0.408 3.538 3.960 -0.023 0.000 0.220 311 G HA3 -0.408 3.538 3.960 -0.023 0.000 0.220 311 G C 1.049 175.937 174.900 -0.020 0.000 1.358 311 G CA 0.491 45.579 45.100 -0.019 0.000 0.856 311 G HN 0.477 nan 8.290 nan 0.000 0.551 312 N N 2.672 121.357 118.700 -0.025 0.000 2.409 312 N HA 0.085 4.811 4.740 -0.023 0.000 0.179 312 N C 0.699 176.189 175.510 -0.032 0.000 1.032 312 N CA 1.868 54.902 53.050 -0.026 0.000 0.898 312 N CB 0.046 38.515 38.487 -0.030 0.000 0.971 312 N HN 0.947 nan 8.380 nan 0.000 0.441 313 E N -1.392 118.786 120.200 -0.037 0.000 2.429 313 E HA 0.377 4.714 4.350 -0.023 0.000 0.280 313 E C -1.679 174.889 176.600 -0.052 0.000 1.068 313 E CA -0.927 55.443 56.400 -0.050 0.000 0.837 313 E CB 1.049 30.709 29.700 -0.067 0.000 1.357 313 E HN -0.135 nan 8.360 nan 0.000 0.455 314 T N 1.232 115.744 114.554 -0.069 0.000 2.824 314 T HA 0.357 4.693 4.350 -0.023 0.000 0.282 314 T C -0.931 173.714 174.700 -0.091 0.000 0.993 314 T CA -0.682 61.378 62.100 -0.066 0.000 0.967 314 T CB 1.406 70.241 68.868 -0.055 0.000 0.960 314 T HN 0.358 nan 8.240 nan 0.000 0.441 315 Q N 2.701 122.471 119.800 -0.050 0.000 2.357 315 Q HA 0.476 4.802 4.340 -0.023 0.000 0.266 315 Q C -0.750 175.285 176.000 0.059 0.000 1.021 315 Q CA -0.805 54.985 55.803 -0.022 0.000 0.784 315 Q CB 1.476 30.224 28.738 0.017 0.000 1.243 315 Q HN 0.456 nan 8.270 nan 0.000 0.465 316 I N 2.486 123.084 120.570 0.046 0.000 2.359 316 I HA 0.282 4.438 4.170 -0.023 0.000 0.294 316 I C 0.104 176.304 176.117 0.139 0.000 0.987 316 I CA -0.448 60.889 61.300 0.062 0.000 1.225 316 I CB 1.140 39.076 38.000 -0.107 0.000 1.366 316 I HN 0.554 nan 8.210 nan 0.000 0.466 317 H N 6.210 125.268 119.070 -0.021 0.000 2.541 317 H HA 0.483 5.025 4.556 -0.023 0.000 0.316 317 H C -0.559 174.777 175.328 0.013 0.000 1.043 317 H CA -0.700 55.352 56.048 0.006 0.000 1.232 317 H CB 2.261 32.020 29.762 -0.004 0.000 1.406 317 H HN 0.274 nan 8.280 nan 0.000 0.469 318 I N 2.680 123.315 120.570 0.107 0.000 2.441 318 I HA 0.134 4.291 4.170 -0.023 0.000 0.295 318 I C 0.227 176.389 176.117 0.075 0.000 0.994 318 I CA -0.579 60.778 61.300 0.095 0.000 1.144 318 I CB 2.056 40.123 38.000 0.112 0.000 1.314 318 I HN 0.542 nan 8.210 nan 0.000 0.445 319 Q N 5.051 124.892 119.800 0.068 0.000 2.368 319 Q HA 0.464 4.790 4.340 -0.023 0.000 0.256 319 Q C -1.331 174.695 176.000 0.044 0.000 0.980 319 Q CA -0.727 55.108 55.803 0.052 0.000 0.887 319 Q CB 1.117 29.883 28.738 0.047 0.000 1.221 319 Q HN 0.458 nan 8.270 nan 0.000 0.458 320 I N 7.344 127.936 120.570 0.037 0.000 2.325 320 I HA 0.208 4.364 4.170 -0.023 0.000 0.291 320 I C -1.689 174.442 176.117 0.023 0.000 1.019 320 I CA -2.314 59.003 61.300 0.028 0.000 1.302 320 I CB 1.314 39.328 38.000 0.023 0.000 1.401 320 I HN 0.587 nan 8.210 nan 0.000 0.485 321 P HA -0.137 nan 4.420 nan 0.000 0.221 321 P C 0.438 177.746 177.300 0.013 0.000 1.141 321 P CA 1.195 64.305 63.100 0.015 0.000 0.794 321 P CB 0.146 31.853 31.700 0.011 0.000 0.764 322 S N -0.425 115.283 115.700 0.013 0.000 2.699 322 S HA 0.129 4.585 4.470 -0.023 0.000 0.251 322 S C 0.994 175.604 174.600 0.017 0.000 1.179 322 S CA -0.216 57.991 58.200 0.012 0.000 1.200 322 S CB -0.930 62.275 63.200 0.008 0.000 0.848 322 S HN -0.008 nan 8.310 nan 0.000 0.472 323 I N -1.042 119.539 120.570 0.018 0.000 3.626 323 I HA -0.360 3.796 4.170 -0.023 0.000 0.180 323 I C 1.030 177.163 176.117 0.027 0.000 0.429 323 I CA 1.871 63.184 61.300 0.021 0.000 1.247 323 I CB -2.436 35.576 38.000 0.020 0.000 1.065 323 I HN 0.582 nan 8.210 nan 0.000 0.267 324 R N 0.568 121.086 120.500 0.031 0.000 2.787 324 R HA 0.589 4.915 4.340 -0.023 0.000 0.271 324 R C 1.311 177.635 176.300 0.040 0.000 0.993 324 R CA 0.259 56.381 56.100 0.037 0.000 0.993 324 R CB -0.060 30.266 30.300 0.043 0.000 1.155 324 R HN 0.366 nan 8.270 nan 0.000 0.486 325 Q N 0.527 120.353 119.800 0.043 0.000 2.336 325 Q HA -0.369 3.958 4.340 -0.023 0.000 0.215 325 Q C -0.403 175.626 176.000 0.048 0.000 1.041 325 Q CA 2.158 57.990 55.803 0.047 0.000 1.019 325 Q CB -0.569 28.201 28.738 0.053 0.000 0.989 325 Q HN 0.841 nan 8.270 nan 0.000 0.420 326 N N -1.375 117.347 118.700 0.038 0.000 3.741 326 N HA -0.114 4.613 4.740 -0.023 0.000 0.259 326 N C -1.443 174.059 175.510 -0.012 0.000 1.060 326 N CA 0.047 53.121 53.050 0.040 0.000 0.673 326 N CB -0.619 37.918 38.487 0.083 0.000 1.261 326 N HN 0.123 nan 8.380 nan 0.000 0.602 327 L N 0.022 121.235 121.223 -0.017 0.000 3.469 327 L HA -0.223 4.104 4.340 -0.023 0.000 0.552 327 L C -0.466 176.366 176.870 -0.063 0.000 1.007 327 L CA 1.169 55.999 54.840 -0.018 0.000 1.100 327 L CB -0.472 41.600 42.059 0.022 0.000 0.965 327 L HN 0.139 nan 8.230 nan 0.000 0.634 328 V N 5.266 125.101 119.914 -0.131 0.000 2.427 328 V HA 0.400 4.506 4.120 -0.023 0.000 0.286 328 V C -0.249 175.831 176.094 -0.023 0.000 1.034 328 V CA -0.606 61.555 62.300 -0.231 0.000 0.893 328 V CB 1.552 33.150 31.823 -0.375 0.000 0.982 328 V HN 0.491 nan 8.190 nan 0.000 0.452 329 Y N 5.600 125.833 120.300 -0.112 0.000 2.409 329 Y HA 0.704 5.244 4.550 -0.017 0.000 0.343 329 Y C -0.113 175.769 175.900 -0.030 0.000 0.973 329 Y CA -1.127 56.955 58.100 -0.029 0.000 1.064 329 Y CB 1.520 40.015 38.460 0.059 0.000 1.207 329 Y HN 0.593 nan 8.280 nan 0.000 0.452 330 R N 4.483 124.588 120.500 -0.658 0.000 2.562 330 R HA 0.506 4.832 4.340 -0.023 0.000 0.298 330 R C -1.417 174.437 176.300 -0.743 0.000 0.961 330 R CA -1.008 54.768 56.100 -0.539 0.000 0.881 330 R CB 2.279 32.412 30.300 -0.277 0.000 1.159 330 R HN 0.762 nan 8.270 nan 0.000 0.450 331 Q N 1.575 121.102 119.800 -0.454 0.000 2.377 331 Q HA 0.250 4.576 4.340 -0.023 0.000 0.279 331 Q C -1.226 174.706 176.000 -0.114 0.000 1.049 331 Q CA -0.692 54.953 55.803 -0.263 0.000 0.825 331 Q CB 2.326 30.984 28.738 -0.134 0.000 1.401 331 Q HN 0.592 nan 8.270 nan 0.000 0.404 332 N N 2.279 120.946 118.700 -0.055 0.000 2.453 332 N HA -0.002 4.724 4.740 -0.023 0.000 0.253 332 N C -0.470 175.032 175.510 -0.014 0.000 1.252 332 N CA 0.604 53.635 53.050 -0.031 0.000 0.917 332 N CB 0.474 38.953 38.487 -0.013 0.000 1.117 332 N HN 0.729 nan 8.380 nan 0.000 0.442 333 D N -0.495 119.895 120.400 -0.016 0.000 4.136 333 D HA -0.244 4.382 4.640 -0.023 0.000 0.291 333 D C -1.045 175.250 176.300 -0.007 0.000 2.238 333 D CA 0.548 54.544 54.000 -0.008 0.000 1.141 333 D CB -0.044 40.758 40.800 0.004 0.000 1.027 333 D HN 0.074 nan 8.370 nan 0.000 1.223 334 V N 0.840 120.753 119.914 -0.000 0.000 2.455 334 V HA 0.382 4.489 4.120 -0.023 0.000 0.273 334 V C 0.416 176.519 176.094 0.014 0.000 1.045 334 V CA -0.499 61.801 62.300 0.000 0.000 0.976 334 V CB 1.150 32.973 31.823 0.000 0.000 0.993 334 V HN 0.343 nan 8.190 nan 0.000 0.475 335 V N 6.922 126.842 119.914 0.011 0.000 2.370 335 V HA 0.374 4.481 4.120 -0.023 0.000 0.283 335 V C 0.042 176.146 176.094 0.016 0.000 1.023 335 V CA -0.549 61.772 62.300 0.035 0.000 0.857 335 V CB 1.584 33.435 31.823 0.046 0.000 0.985 335 V HN 0.643 nan 8.190 nan 0.000 0.443 336 L N 6.925 128.170 121.223 0.037 0.000 2.283 336 L HA 0.630 4.956 4.340 -0.023 0.000 0.287 336 L C -0.469 176.421 176.870 0.034 0.000 1.073 336 L CA -0.221 54.635 54.840 0.028 0.000 0.822 336 L CB 0.867 42.946 42.059 0.034 0.000 1.186 336 L HN 0.624 nan 8.230 nan 0.000 0.436 337 V N -0.030 119.884 119.914 -0.000 0.000 2.950 337 V HA 0.471 4.577 4.120 -0.023 0.000 0.295 337 V C -0.819 175.262 176.094 -0.021 0.000 1.297 337 V CA -1.027 61.270 62.300 -0.005 0.000 0.962 337 V CB 1.909 33.687 31.823 -0.075 0.000 1.081 337 V HN 0.481 nan 8.190 nan 0.000 0.432 338 E N 1.675 121.873 120.200 -0.002 0.000 2.283 338 E HA 0.374 4.711 4.350 -0.023 0.000 0.271 338 E C -0.301 176.292 176.600 -0.011 0.000 1.031 338 E CA -0.592 55.804 56.400 -0.007 0.000 0.868 338 E CB 1.697 31.399 29.700 0.004 0.000 1.094 338 E HN 0.858 nan 8.360 nan 0.000 0.401 339 E N 0.749 120.939 120.200 -0.017 0.000 1.833 339 E HA 0.240 4.576 4.350 -0.023 0.000 0.258 339 E C 0.571 177.170 176.600 -0.001 0.000 1.257 339 E CA 0.061 56.452 56.400 -0.016 0.000 1.003 339 E CB -0.218 29.467 29.700 -0.024 0.000 1.068 339 E HN 0.796 nan 8.360 nan 0.000 0.422 340 G N 1.682 110.488 108.800 0.010 0.000 3.827 340 G HA2 -0.026 3.920 3.960 -0.023 0.000 0.218 340 G HA3 -0.026 3.920 3.960 -0.023 0.000 0.218 340 G C 0.501 175.421 174.900 0.033 0.000 0.892 340 G CA -0.121 44.991 45.100 0.019 0.000 0.857 340 G HN 0.619 nan 8.290 nan 0.000 0.508 341 A N 0.716 123.562 122.820 0.043 0.000 2.407 341 A HA 0.563 4.870 4.320 -0.023 0.000 0.257 341 A C 0.981 178.620 177.584 0.091 0.000 1.131 341 A CA 1.352 53.429 52.037 0.068 0.000 0.803 341 A CB -0.195 18.859 19.000 0.091 0.000 1.083 341 A HN 1.465 nan 8.150 nan 0.000 0.512 342 T N -1.586 113.030 114.554 0.103 0.000 2.801 342 T HA 0.562 4.898 4.350 -0.023 0.000 0.306 342 T C -0.804 173.987 174.700 0.152 0.000 1.020 342 T CA -0.235 61.924 62.100 0.099 0.000 0.948 342 T CB 0.014 68.910 68.868 0.047 0.000 0.962 342 T HN 0.379 nan 8.240 nan 0.000 0.465 343 F N 2.965 122.902 119.950 -0.022 0.000 2.421 343 F HA 0.699 5.211 4.527 -0.024 0.000 0.337 343 F C 0.007 175.762 175.800 -0.075 0.000 1.105 343 F CA -0.981 56.991 58.000 -0.047 0.000 1.049 343 F CB 1.408 40.382 39.000 -0.042 0.000 1.139 343 F HN 0.882 nan 8.300 nan 0.000 0.479 344 A N 7.278 129.795 122.820 -0.504 0.000 2.330 344 A HA 0.787 5.094 4.320 -0.023 0.000 0.313 344 A C -1.213 176.073 177.584 -0.497 0.000 1.124 344 A CA -0.573 51.249 52.037 -0.358 0.000 0.774 344 A CB 0.744 19.590 19.000 -0.257 0.000 1.198 344 A HN 0.619 nan 8.150 nan 0.000 0.465 345 I N -0.042 120.338 120.570 -0.317 0.000 2.892 345 I HA 0.869 5.025 4.170 -0.023 0.000 0.306 345 I C 0.276 176.295 176.117 -0.164 0.000 1.078 345 I CA -0.844 60.264 61.300 -0.321 0.000 1.032 345 I CB 1.142 38.906 38.000 -0.394 0.000 1.229 345 I HN 0.635 nan 8.210 nan 0.000 0.435 346 G N 2.389 111.119 108.800 -0.117 0.000 2.477 346 G HA2 0.558 4.505 3.960 -0.023 0.000 0.304 346 G HA3 0.558 4.505 3.960 -0.023 0.000 0.304 346 G C -1.316 173.575 174.900 -0.014 0.000 1.175 346 G CA -0.486 44.581 45.100 -0.055 0.000 0.907 346 G HN 0.657 nan 8.290 nan 0.000 0.509 347 L N 2.453 123.673 121.223 -0.006 0.000 2.388 347 L HA 0.492 4.818 4.340 -0.023 0.000 0.267 347 L C -2.248 174.625 176.870 0.004 0.000 0.995 347 L CA -2.244 52.603 54.840 0.012 0.000 0.864 347 L CB 2.017 44.082 42.059 0.011 0.000 1.216 347 L HN 0.259 nan 8.230 nan 0.000 0.430 348 P HA 0.323 nan 4.420 nan 0.000 0.287 348 P C -2.467 174.803 177.300 -0.049 0.000 1.307 348 P CA -1.581 61.500 63.100 -0.032 0.000 0.777 348 P CB 1.297 32.969 31.700 -0.046 0.000 0.883 349 P HA -0.197 nan 4.420 nan 0.000 0.216 349 P C 1.082 178.322 177.300 -0.099 0.000 1.153 349 P CA 1.684 64.759 63.100 -0.042 0.000 0.858 349 P CB -0.003 31.694 31.700 -0.006 0.000 0.789 350 E N -1.026 119.056 120.200 -0.195 0.000 2.331 350 E HA -0.167 4.170 4.350 -0.023 0.000 0.199 350 E C 1.679 178.084 176.600 -0.325 0.000 1.008 350 E CA 0.953 57.132 56.400 -0.368 0.000 0.843 350 E CB -0.584 28.631 29.700 -0.809 0.000 0.761 350 E HN 0.106 nan 8.360 nan 0.000 0.507 351 R N -0.531 119.832 120.500 -0.228 0.000 2.362 351 R HA 0.234 4.561 4.340 -0.023 0.000 0.227 351 R C -0.518 175.743 176.300 -0.064 0.000 0.905 351 R CA -0.149 55.841 56.100 -0.183 0.000 1.067 351 R CB -0.022 30.146 30.300 -0.220 0.000 1.078 351 R HN 0.115 nan 8.270 nan 0.000 0.516 352 C N 0.658 119.919 119.300 -0.065 0.000 2.539 352 C HA 0.367 4.814 4.460 -0.023 0.000 0.392 352 C C 0.190 175.123 174.990 -0.095 0.000 1.269 352 C CA -0.615 58.410 59.018 0.011 0.000 2.250 352 C CB 0.126 27.879 27.740 0.022 0.000 2.584 352 C HN 0.467 nan 8.230 nan 0.000 0.589 353 H N 0.584 119.660 119.070 0.011 0.000 2.651 353 H HA 0.788 5.329 4.556 -0.024 0.000 0.353 353 H C -0.703 174.472 175.328 -0.254 0.000 1.178 353 H CA -0.608 55.365 56.048 -0.125 0.000 1.224 353 H CB 1.054 30.789 29.762 -0.044 0.000 1.702 353 H HN 0.455 nan 8.280 nan 0.000 0.550 354 L N 2.226 123.184 121.223 -0.441 0.000 2.476 354 L HA 0.429 4.755 4.340 -0.023 0.000 0.269 354 L C -1.912 174.624 176.870 -0.557 0.000 0.965 354 L CA -0.336 54.307 54.840 -0.328 0.000 0.845 354 L CB 0.593 42.580 42.059 -0.120 0.000 1.259 354 L HN 0.465 nan 8.230 nan 0.000 0.403 355 F N 3.562 123.586 119.950 0.123 0.000 2.458 355 F HA 0.643 5.156 4.527 -0.024 0.000 0.336 355 F C 0.782 176.613 175.800 0.051 0.000 1.114 355 F CA -0.728 57.323 58.000 0.085 0.000 0.987 355 F CB 1.331 40.369 39.000 0.063 0.000 1.130 355 F HN 0.333 nan 8.300 nan 0.000 0.458 356 R N 1.003 121.611 120.500 0.179 0.000 2.840 356 R HA 0.076 4.403 4.340 -0.023 0.000 0.282 356 R C 1.311 177.674 176.300 0.106 0.000 1.133 356 R CA -0.479 55.687 56.100 0.110 0.000 1.208 356 R CB 0.388 30.736 30.300 0.080 0.000 1.160 356 R HN 0.776 nan 8.270 nan 0.000 0.576 357 E N 0.833 121.072 120.200 0.065 0.000 2.110 357 E HA -0.197 4.139 4.350 -0.023 0.000 0.193 357 E C 0.826 177.449 176.600 0.038 0.000 0.988 357 E CA 1.545 57.971 56.400 0.045 0.000 0.804 357 E CB 0.038 29.756 29.700 0.030 0.000 0.745 357 E HN 0.580 nan 8.360 nan 0.000 0.458 358 D N -1.296 119.131 120.400 0.045 0.000 2.352 358 D HA -0.013 4.614 4.640 -0.023 0.000 0.232 358 D C 1.271 177.600 176.300 0.048 0.000 1.055 358 D CA 0.904 54.926 54.000 0.037 0.000 0.891 358 D CB 0.049 40.871 40.800 0.036 0.000 0.897 358 D HN 0.331 nan 8.370 nan 0.000 0.529 359 G N 0.073 108.915 108.800 0.071 0.000 2.253 359 G HA2 -0.319 3.628 3.960 -0.023 0.000 0.251 359 G HA3 -0.319 3.628 3.960 -0.023 0.000 0.251 359 G C 0.630 175.647 174.900 0.195 0.000 0.998 359 G CA 0.663 45.814 45.100 0.085 0.000 0.621 359 G HN 0.823 nan 8.290 nan 0.000 0.524 360 T N -0.511 114.146 114.554 0.171 0.000 2.856 360 T HA 0.643 4.979 4.350 -0.023 0.000 0.306 360 T C 0.451 175.307 174.700 0.260 0.000 1.062 360 T CA 0.658 62.877 62.100 0.198 0.000 1.083 360 T CB 1.865 70.804 68.868 0.120 0.000 0.984 360 T HN 1.795 nan 8.240 nan 0.000 0.542 361 A N 0.731 123.692 122.820 0.234 0.000 2.312 361 A HA 0.569 4.875 4.320 -0.023 0.000 0.326 361 A C 0.248 177.837 177.584 0.007 0.000 1.172 361 A CA -0.964 51.118 52.037 0.075 0.000 0.821 361 A CB 0.495 19.564 19.000 0.115 0.000 1.166 361 A HN 1.056 nan 8.150 nan 0.000 0.493 362 C N 2.345 121.598 119.300 -0.078 0.000 2.442 362 C HA 0.426 4.873 4.460 -0.023 0.000 0.362 362 C C 1.029 176.005 174.990 -0.023 0.000 1.242 362 C CA -0.468 58.529 59.018 -0.034 0.000 1.741 362 C CB -1.063 26.651 27.740 -0.043 0.000 2.378 362 C HN 0.943 nan 8.230 nan 0.000 0.549 363 R N 3.437 123.944 120.500 0.011 0.000 2.485 363 R HA -0.027 4.299 4.340 -0.023 0.000 0.304 363 R C 0.257 176.572 176.300 0.025 0.000 0.934 363 R CA 0.916 57.031 56.100 0.024 0.000 1.102 363 R CB 0.012 30.307 30.300 -0.007 0.000 0.906 363 R HN 0.682 nan 8.270 nan 0.000 0.407 364 R N 4.370 124.922 120.500 0.087 0.000 2.543 364 R HA 0.078 4.404 4.340 -0.023 0.000 0.277 364 R C 0.573 176.925 176.300 0.087 0.000 1.074 364 R CA -0.096 56.065 56.100 0.103 0.000 1.076 364 R CB 0.486 30.895 30.300 0.182 0.000 0.993 364 R HN 0.668 nan 8.270 nan 0.000 0.459 365 L N 1.077 122.346 121.223 0.076 0.000 2.638 365 L HA 0.118 4.445 4.340 -0.023 0.000 0.232 365 L C 0.635 177.555 176.870 0.083 0.000 1.099 365 L CA -0.186 54.678 54.840 0.041 0.000 0.883 365 L CB -0.081 41.993 42.059 0.026 0.000 1.136 365 L HN 0.599 nan 8.230 nan 0.000 0.492 366 H N 2.378 121.470 119.070 0.038 0.000 2.848 366 H HA 0.106 4.647 4.556 -0.024 0.000 0.341 366 H C -0.186 175.187 175.328 0.075 0.000 1.060 366 H CA 0.112 56.173 56.048 0.022 0.000 1.444 366 H CB 0.510 30.261 29.762 -0.019 0.000 1.446 366 H HN -0.065 nan 8.280 nan 0.000 0.583 367 K N 4.914 125.035 120.400 -0.465 0.000 2.276 367 K HA 0.146 4.453 4.320 -0.023 0.000 0.285 367 K C -0.281 176.045 176.600 -0.458 0.000 1.062 367 K CA -0.588 55.519 56.287 -0.300 0.000 0.918 367 K CB 0.864 33.247 32.500 -0.195 0.000 1.055 367 K HN 0.617 nan 8.250 nan 0.000 0.477 368 E N 4.124 124.169 120.200 -0.259 0.000 2.204 368 E HA 0.252 4.588 4.350 -0.023 0.000 0.276 368 E C -2.214 174.229 176.600 -0.262 0.000 0.974 368 E CA -2.119 54.002 56.400 -0.465 0.000 0.815 368 E CB 1.236 30.221 29.700 -1.193 0.000 1.119 368 E HN 0.424 nan 8.360 nan 0.000 0.393 369 P HA 0.055 nan 4.420 nan 0.000 0.268 369 P C 0.606 177.961 177.300 0.093 0.000 1.205 369 P CA 0.335 63.429 63.100 -0.009 0.000 0.771 369 P CB 0.721 32.433 31.700 0.021 0.000 0.858 370 G N 0.799 109.652 108.800 0.089 0.000 2.175 370 G HA2 -0.168 3.779 3.960 -0.023 0.000 0.244 370 G HA3 -0.168 3.779 3.960 -0.023 0.000 0.244 370 G C -0.231 174.757 174.900 0.148 0.000 0.982 370 G CA -0.039 45.132 45.100 0.118 0.000 0.641 370 G HN 0.593 nan 8.290 nan 0.000 0.527 371 V N 1.122 121.134 119.914 0.163 0.000 2.531 371 V HA 0.785 4.892 4.120 -0.023 0.000 0.301 371 V C 0.751 176.920 176.094 0.124 0.000 1.034 371 V CA -0.563 61.855 62.300 0.197 0.000 0.865 371 V CB 1.561 33.604 31.823 0.368 0.000 0.995 371 V HN 1.287 nan 8.190 nan 0.000 0.424 372 A N 4.124 126.998 122.820 0.090 0.000 2.566 372 A HA 0.508 4.815 4.320 -0.023 0.000 0.245 372 A C 0.476 178.073 177.584 0.022 0.000 1.056 372 A CA 0.511 52.576 52.037 0.047 0.000 0.757 372 A CB -0.040 18.983 19.000 0.038 0.000 0.979 372 A HN 0.798 nan 8.150 nan 0.000 0.508 373 S N 0.602 116.301 115.700 -0.001 0.000 2.570 373 S HA 0.722 5.179 4.470 -0.023 0.000 0.286 373 S C 0.378 174.956 174.600 -0.036 0.000 1.099 373 S CA -0.056 58.123 58.200 -0.035 0.000 0.913 373 S CB 1.781 64.956 63.200 -0.041 0.000 1.085 373 S HN 1.444 nan 8.310 nan 0.000 0.480 374 A N 1.590 124.381 122.820 -0.050 0.000 2.475 374 A HA 0.606 4.913 4.320 -0.023 0.000 0.239 374 A C 0.784 178.349 177.584 -0.032 0.000 1.087 374 A CA 0.580 52.594 52.037 -0.038 0.000 0.779 374 A CB -0.511 18.462 19.000 -0.044 0.000 1.036 374 A HN 1.550 nan 8.150 nan 0.000 0.506 375 S N 0.000 115.685 115.700 -0.025 0.000 2.498 375 S HA 0.000 4.456 4.470 -0.023 0.000 0.327 375 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 375 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 375 S HN 0.000 nan 8.310 nan 0.000 0.517