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 1onf_1_A DATA FIRST_RESID 1 DATA SEQUENCE VYDLIVIGGG SGGMAAARRA ARHNAKVALV EKSRLGGTcV NVGcVPKKIM DATA SEQUENCE FNAASVHDIL ENSRHYGFDT KFSFNLPLLV ERRDKYIQRL NNIYRQNLSK DATA SEQUENCE DKVDLYEGTA SFLXXXXXXX XXXXXXXXXX XXXXXXXXXE GRNILIAVGN DATA SEQUENCE KPVFPPVKGI ENTISSDEFF NIKESKKIGI VGSGYIAVEL INVIKRLGID DATA SEQUENCE SYIFARGNRI LRKFDESVIN VLENDMKKNN INIVTFADVV EIKKVSDKNL DATA SEQUENCE SIHLSDGRIY EHFDHVIYCV GRSPDTENLK LEKLNVETNN NYIVVDENQR DATA SEQUENCE TSVNNIYAVG DCCMVKXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXFYNV DATA SEQUENCE QLTPVAINAG RLLADRLFLK KTRKTNYKLI PTVIFSHPPI GTIGLSEEAA DATA SEQUENCE IQIYGKENVK IYESKFTNLF FSVYDIEPEL KEKTYLKLVC VGKDELIKGL DATA SEQUENCE HIIGLNADEI VQGFAVALKM NATKKDFDET IPIHPTAAEE FLTLQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 175.937 176.094 -0.261 0.000 1.182 1 V CA 0.000 62.210 62.300 -0.151 0.000 1.235 1 V CB 0.000 31.790 31.823 -0.055 0.000 1.184 2 Y N 1.672 121.973 120.300 0.000 0.000 2.352 2 Y HA 0.403 4.953 4.550 0.000 0.000 0.326 2 Y C 1.296 177.226 175.900 0.049 0.000 1.166 2 Y CA -0.290 57.816 58.100 0.010 0.000 1.182 2 Y CB 1.290 39.741 38.460 -0.016 0.000 1.216 2 Y HN 0.692 nan 8.280 nan 0.000 0.474 3 D N 1.176 121.718 120.400 0.236 0.000 2.224 3 D HA -0.018 4.623 4.640 0.000 0.000 0.205 3 D C -0.413 176.079 176.300 0.320 0.000 0.965 3 D CA 1.283 55.441 54.000 0.263 0.000 0.852 3 D CB 0.270 41.228 40.800 0.262 0.000 0.947 3 D HN 0.319 nan 8.370 nan 0.000 0.494 4 L N -0.114 121.270 121.223 0.268 0.000 2.641 4 L HA 0.335 4.676 4.340 0.000 0.000 0.261 4 L C -1.926 174.984 176.870 0.068 0.000 0.926 4 L CA -0.399 54.563 54.840 0.203 0.000 0.917 4 L CB 1.765 43.986 42.059 0.271 0.000 1.361 4 L HN -0.268 nan 8.230 nan 0.000 0.417 5 I N 5.352 125.927 120.570 0.008 0.000 2.378 5 I HA 0.447 4.618 4.170 0.000 0.000 0.291 5 I C -0.532 175.539 176.117 -0.076 0.000 0.992 5 I CA -1.071 60.145 61.300 -0.141 0.000 1.154 5 I CB 1.951 39.829 38.000 -0.203 0.000 1.315 5 I HN 0.292 nan 8.210 nan 0.000 0.448 6 V N 7.623 127.480 119.914 -0.094 0.000 2.406 6 V HA 0.328 4.448 4.120 0.000 0.000 0.272 6 V C 0.210 176.272 176.094 -0.053 0.000 1.043 6 V CA -0.278 61.998 62.300 -0.039 0.000 0.915 6 V CB 1.275 33.080 31.823 -0.030 0.000 0.988 6 V HN 0.467 nan 8.190 nan 0.000 0.466 7 I N 4.740 125.301 120.570 -0.016 0.000 2.330 7 I HA 0.692 4.863 4.170 0.000 0.000 0.286 7 I C 0.628 176.750 176.117 0.008 0.000 1.025 7 I CA -0.049 61.242 61.300 -0.015 0.000 1.197 7 I CB 1.290 39.291 38.000 0.002 0.000 1.358 7 I HN 0.865 nan 8.210 nan 0.000 0.467 8 G N 3.599 112.396 108.800 -0.006 0.000 3.353 8 G HA2 -0.009 3.951 3.960 0.000 0.000 0.682 8 G HA3 -0.009 3.951 3.960 0.000 0.000 0.682 8 G C 0.059 174.947 174.900 -0.020 0.000 1.192 8 G CA -0.500 44.596 45.100 -0.006 0.000 1.111 8 G HN 0.930 nan 8.290 nan 0.000 0.493 9 G N 0.648 109.428 108.800 -0.033 0.000 3.591 9 G HA2 0.617 4.577 3.960 0.000 0.000 0.282 9 G HA3 0.617 4.577 3.960 0.000 0.000 0.282 9 G C 1.016 175.859 174.900 -0.094 0.000 1.238 9 G CA 0.947 46.014 45.100 -0.054 0.000 0.993 9 G HN 1.208 nan 8.290 nan 0.000 0.542 10 G N 0.339 109.095 108.800 -0.074 0.000 2.624 10 G HA2 0.289 4.249 3.960 0.000 0.000 0.217 10 G HA3 0.289 4.249 3.960 0.000 0.000 0.217 10 G C 1.349 176.189 174.900 -0.099 0.000 1.506 10 G CA 0.548 45.591 45.100 -0.094 0.000 1.072 10 G HN 0.173 nan 8.290 nan 0.000 0.568 11 S N -0.157 115.500 115.700 -0.072 0.000 2.353 11 S HA -0.116 4.354 4.470 0.000 0.000 0.222 11 S C 2.431 177.016 174.600 -0.026 0.000 1.035 11 S CA 1.734 59.904 58.200 -0.050 0.000 1.025 11 S CB -0.739 62.449 63.200 -0.019 0.000 0.902 11 S HN 0.744 nan 8.310 nan 0.000 0.440 12 G N 1.004 109.800 108.800 -0.008 0.000 2.424 12 G HA2 0.039 3.999 3.960 0.000 0.000 0.214 12 G HA3 0.039 3.999 3.960 0.000 0.000 0.214 12 G C 1.509 176.414 174.900 0.009 0.000 1.202 12 G CA 0.806 45.913 45.100 0.010 0.000 0.793 12 G HN 0.558 nan 8.290 nan 0.000 0.534 13 G N 0.716 109.518 108.800 0.003 0.000 2.469 13 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 13 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 13 G C 1.901 176.796 174.900 -0.008 0.000 1.150 13 G CA 1.166 46.267 45.100 0.002 0.000 0.763 13 G HN 0.378 nan 8.290 nan 0.000 0.561 14 M N 0.511 120.097 119.600 -0.024 0.000 2.086 14 M HA -0.052 4.428 4.480 0.000 0.000 0.261 14 M C 3.111 179.409 176.300 -0.004 0.000 1.067 14 M CA 1.530 56.817 55.300 -0.021 0.000 1.116 14 M CB -0.323 32.250 32.600 -0.046 0.000 1.348 14 M HN 0.356 nan 8.290 nan 0.000 0.407 15 A N 0.348 123.167 122.820 -0.001 0.000 1.858 15 A HA -0.102 4.219 4.320 0.000 0.000 0.216 15 A C 2.345 179.934 177.584 0.009 0.000 1.190 15 A CA 2.090 54.130 52.037 0.006 0.000 0.617 15 A CB -1.165 17.840 19.000 0.008 0.000 0.827 15 A HN 0.513 nan 8.150 nan 0.000 0.443 16 A N 0.024 122.854 122.820 0.017 0.000 1.859 16 A HA -0.033 4.287 4.320 0.000 0.000 0.218 16 A C 2.591 180.192 177.584 0.029 0.000 1.209 16 A CA 3.131 55.188 52.037 0.033 0.000 0.639 16 A CB -1.423 17.599 19.000 0.037 0.000 0.835 16 A HN 1.335 nan 8.150 nan 0.000 0.450 17 A N -0.549 122.279 122.820 0.013 0.000 1.917 17 A HA -0.252 4.068 4.320 0.000 0.000 0.219 17 A C 2.261 179.833 177.584 -0.020 0.000 1.182 17 A CA 1.994 54.030 52.037 -0.002 0.000 0.633 17 A CB -0.516 18.477 19.000 -0.011 0.000 0.819 17 A HN 0.625 nan 8.150 nan 0.000 0.448 18 R N -1.678 118.810 120.500 -0.020 0.000 2.093 18 R HA -0.021 4.319 4.340 0.000 0.000 0.224 18 R C 2.424 178.679 176.300 -0.075 0.000 1.101 18 R CA 1.152 57.229 56.100 -0.038 0.000 0.979 18 R CB -0.239 30.049 30.300 -0.021 0.000 0.877 18 R HN 0.445 nan 8.270 nan 0.000 0.441 19 R N 1.556 122.018 120.500 -0.063 0.000 2.070 19 R HA -0.065 4.275 4.340 0.000 0.000 0.233 19 R C 2.061 178.250 176.300 -0.184 0.000 1.137 19 R CA 1.976 58.007 56.100 -0.115 0.000 0.945 19 R CB -0.755 29.534 30.300 -0.018 0.000 0.845 19 R HN 0.216 nan 8.270 nan 0.000 0.430 20 A N 0.221 123.025 122.820 -0.026 0.000 1.972 20 A HA -0.055 4.265 4.320 0.000 0.000 0.219 20 A C 2.354 179.799 177.584 -0.232 0.000 1.169 20 A CA 1.782 53.792 52.037 -0.045 0.000 0.635 20 A CB -1.023 17.979 19.000 0.004 0.000 0.810 20 A HN 0.511 nan 8.150 nan 0.000 0.446 21 A N -0.379 122.341 122.820 -0.167 0.000 1.908 21 A HA -0.213 4.107 4.320 0.000 0.000 0.218 21 A C 2.262 179.743 177.584 -0.172 0.000 1.181 21 A CA 1.690 53.637 52.037 -0.149 0.000 0.627 21 A CB -0.521 18.423 19.000 -0.093 0.000 0.818 21 A HN 0.498 nan 8.150 nan 0.000 0.445 22 R N -1.183 119.173 120.500 -0.241 0.000 2.148 22 R HA -0.124 4.216 4.340 0.000 0.000 0.227 22 R C 0.721 176.862 176.300 -0.265 0.000 1.103 22 R CA 1.226 57.158 56.100 -0.280 0.000 0.983 22 R CB -0.229 29.840 30.300 -0.386 0.000 0.874 22 R HN 0.652 nan 8.270 nan 0.000 0.451 23 H N -0.286 118.734 119.070 -0.085 0.000 2.519 23 H HA 0.153 4.709 4.556 0.000 0.000 0.289 23 H C 0.086 175.333 175.328 -0.135 0.000 1.040 23 H CA -0.093 55.912 56.048 -0.072 0.000 1.165 23 H CB 0.227 29.980 29.762 -0.015 0.000 1.462 23 H HN 0.154 nan 8.280 nan 0.000 0.555 24 N N -0.453 118.202 118.700 -0.076 0.000 2.882 24 N HA -0.144 4.596 4.740 0.000 0.000 0.249 24 N C -0.215 175.185 175.510 -0.183 0.000 1.079 24 N CA 0.682 53.675 53.050 -0.094 0.000 0.800 24 N CB -1.261 37.207 38.487 -0.032 0.000 1.124 24 N HN 0.501 nan 8.380 nan 0.000 0.557 25 A N 0.099 122.696 122.820 -0.371 0.000 2.401 25 A HA 0.486 4.806 4.320 0.000 0.000 0.259 25 A C 0.651 178.122 177.584 -0.189 0.000 1.103 25 A CA -0.148 51.595 52.037 -0.490 0.000 0.789 25 A CB 0.504 18.808 19.000 -1.160 0.000 1.035 25 A HN 0.143 nan 8.150 nan 0.000 0.491 26 K N 2.137 122.498 120.400 -0.064 0.000 2.294 26 K HA 0.337 4.657 4.320 0.000 0.000 0.288 26 K C -0.696 176.029 176.600 0.209 0.000 1.072 26 K CA 0.378 56.703 56.287 0.064 0.000 0.960 26 K CB -0.566 31.954 32.500 0.033 0.000 1.043 26 K HN 0.377 nan 8.250 nan 0.000 0.455 27 V N 2.565 122.566 119.914 0.146 0.000 2.630 27 V HA 0.792 4.912 4.120 0.000 0.000 0.305 27 V C -0.136 175.924 176.094 -0.057 0.000 1.046 27 V CA -1.083 61.255 62.300 0.064 0.000 0.934 27 V CB 1.619 33.428 31.823 -0.022 0.000 1.003 27 V HN 0.749 nan 8.190 nan 0.000 0.451 28 A N 4.450 127.059 122.820 -0.352 0.000 2.393 28 A HA 0.897 5.217 4.320 0.000 0.000 0.306 28 A C -1.254 176.145 177.584 -0.308 0.000 1.050 28 A CA -0.514 51.175 52.037 -0.580 0.000 0.724 28 A CB 1.526 19.566 19.000 -1.601 0.000 1.248 28 A HN 0.923 nan 8.150 nan 0.000 0.424 29 L N 2.930 124.062 121.223 -0.152 0.000 2.410 29 L HA 0.799 5.139 4.340 0.000 0.000 0.270 29 L C -1.683 175.172 176.870 -0.026 0.000 0.983 29 L CA -0.712 54.076 54.840 -0.086 0.000 0.822 29 L CB 2.010 44.046 42.059 -0.038 0.000 1.285 29 L HN 0.475 nan 8.230 nan 0.000 0.409 30 V N 3.468 123.356 119.914 -0.043 0.000 2.540 30 V HA 0.575 4.695 4.120 0.000 0.000 0.302 30 V C -0.689 175.408 176.094 0.004 0.000 1.035 30 V CA -0.478 61.829 62.300 0.011 0.000 0.873 30 V CB 1.882 33.689 31.823 -0.028 0.000 0.992 30 V HN 0.798 nan 8.190 nan 0.000 0.428 31 E N 3.518 123.732 120.200 0.022 0.000 2.317 31 E HA 0.518 4.868 4.350 0.000 0.000 0.270 31 E C 0.309 176.917 176.600 0.014 0.000 0.885 31 E CA -0.674 55.731 56.400 0.008 0.000 0.760 31 E CB 2.107 31.807 29.700 0.000 0.000 1.227 31 E HN 0.585 nan 8.360 nan 0.000 0.434 32 K N 1.078 121.483 120.400 0.009 0.000 2.225 32 K HA 0.317 4.637 4.320 0.000 0.000 0.204 32 K C 0.356 176.962 176.600 0.011 0.000 1.047 32 K CA 0.133 56.428 56.287 0.013 0.000 0.970 32 K CB 0.106 32.614 32.500 0.014 0.000 0.939 32 K HN 0.315 nan 8.250 nan 0.000 0.472 33 S N 1.036 116.741 115.700 0.008 0.000 2.590 33 S HA 0.316 4.786 4.470 0.000 0.000 0.282 33 S C -0.129 174.473 174.600 0.003 0.000 1.136 33 S CA -0.962 57.243 58.200 0.009 0.000 1.030 33 S CB 0.372 63.578 63.200 0.011 0.000 1.195 33 S HN 0.186 nan 8.310 nan 0.000 0.506 34 R N 0.304 120.806 120.500 0.004 0.000 2.679 34 R HA 0.219 4.559 4.340 0.000 0.000 0.268 34 R C -0.306 175.984 176.300 -0.018 0.000 1.044 34 R CA -0.115 55.988 56.100 0.004 0.000 1.105 34 R CB -0.231 30.076 30.300 0.011 0.000 0.989 34 R HN 0.397 nan 8.270 nan 0.000 0.447 35 L N 1.202 122.417 121.223 -0.014 0.000 2.483 35 L HA 0.054 4.394 4.340 0.000 0.000 0.275 35 L C 1.475 178.210 176.870 -0.223 0.000 1.220 35 L CA 1.146 55.940 54.840 -0.078 0.000 0.833 35 L CB 0.577 42.632 42.059 -0.006 0.000 1.102 35 L HN 1.074 nan 8.230 nan 0.000 0.490 36 G N 1.268 109.837 108.800 -0.384 0.000 2.176 36 G HA2 -0.151 3.809 3.960 0.000 0.000 0.232 36 G HA3 -0.151 3.809 3.960 0.000 0.000 0.232 36 G C 0.729 175.477 174.900 -0.254 0.000 0.986 36 G CA 0.179 44.942 45.100 -0.561 0.000 0.643 36 G HN 1.341 nan 8.290 nan 0.000 0.522 37 G N -0.415 108.292 108.800 -0.154 0.000 2.602 37 G HA2 -0.243 3.717 3.960 0.000 0.000 0.317 37 G HA3 -0.243 3.717 3.960 0.000 0.000 0.317 37 G C 1.303 176.169 174.900 -0.056 0.000 1.327 37 G CA 2.011 47.062 45.100 -0.081 0.000 0.971 37 G HN 1.335 nan 8.290 nan 0.000 0.540 38 T N -0.487 114.049 114.554 -0.030 0.000 2.607 38 T HA -0.260 4.090 4.350 0.000 0.000 0.267 38 T C 2.415 177.106 174.700 -0.016 0.000 1.049 38 T CA 2.530 64.625 62.100 -0.007 0.000 1.162 38 T CB -0.810 68.066 68.868 0.014 0.000 0.863 38 T HN 0.813 nan 8.240 nan 0.000 0.424 39 c N 0.873 119.464 118.600 -0.015 0.000 2.401 39 c HA -0.073 4.497 4.570 0.000 0.000 0.276 39 c C 2.800 176.874 174.090 -0.026 0.000 1.233 39 c CA 0.871 57.195 56.329 -0.009 0.000 1.753 39 c CB -1.183 41.325 42.510 -0.004 0.000 2.029 39 c HN 0.401 nan 8.230 nan 0.000 0.478 40 V N 1.018 120.904 119.914 -0.046 0.000 2.426 40 V HA -0.058 4.062 4.120 0.000 0.000 0.242 40 V C 2.088 178.159 176.094 -0.038 0.000 1.036 40 V CA 2.030 64.319 62.300 -0.019 0.000 1.044 40 V CB -0.518 31.282 31.823 -0.038 0.000 0.688 40 V HN 0.557 nan 8.190 nan 0.000 0.462 41 N N 0.424 119.090 118.700 -0.058 0.000 2.405 41 N HA -0.003 4.737 4.740 0.000 0.000 0.175 41 N C 1.036 176.466 175.510 -0.134 0.000 1.051 41 N CA 1.551 54.561 53.050 -0.066 0.000 0.899 41 N CB 1.153 39.623 38.487 -0.028 0.000 1.000 41 N HN 0.551 nan 8.380 nan 0.000 0.451 42 V N -4.312 115.524 119.914 -0.130 0.000 3.486 42 V HA 0.559 4.679 4.120 0.000 0.000 0.335 42 V C 0.582 176.629 176.094 -0.079 0.000 1.506 42 V CA -0.240 61.968 62.300 -0.153 0.000 1.206 42 V CB 0.459 32.320 31.823 0.063 0.000 1.049 42 V HN 0.093 nan 8.190 nan 0.000 0.502 43 G N -0.053 108.692 108.800 -0.091 0.000 3.392 43 G HA2 0.276 4.236 3.960 0.000 0.000 0.185 43 G HA3 0.276 4.236 3.960 0.000 0.000 0.185 43 G C 1.071 175.960 174.900 -0.018 0.000 1.206 43 G CA 0.597 45.700 45.100 0.006 0.000 0.776 43 G HN 0.266 nan 8.290 nan 0.000 0.697 44 c N -0.185 118.429 118.600 0.023 0.000 2.316 44 c HA -0.190 4.380 4.570 0.000 0.000 0.261 44 c C 2.826 176.888 174.090 -0.048 0.000 1.098 44 c CA 1.047 57.378 56.329 0.005 0.000 1.829 44 c CB -1.690 40.837 42.510 0.027 0.000 2.062 44 c HN 0.277 nan 8.230 nan 0.000 0.428 45 V N 2.599 122.491 119.914 -0.037 0.000 2.216 45 V HA -0.154 3.966 4.120 0.000 0.000 0.243 45 V C 0.199 176.260 176.094 -0.055 0.000 1.044 45 V CA 2.857 65.145 62.300 -0.021 0.000 0.995 45 V CB -1.922 29.937 31.823 0.061 0.000 0.633 45 V HN 0.340 nan 8.190 nan 0.000 0.446 46 P HA -0.181 nan 4.420 nan 0.000 0.215 46 P C 1.705 179.039 177.300 0.057 0.000 1.153 46 P CA 1.449 64.465 63.100 -0.140 0.000 0.853 46 P CB -0.195 31.109 31.700 -0.659 0.000 0.788 47 K N 0.829 121.271 120.400 0.070 0.000 2.044 47 K HA -0.226 4.094 4.320 0.000 0.000 0.210 47 K C 2.049 178.691 176.600 0.070 0.000 1.049 47 K CA 2.011 58.438 56.287 0.234 0.000 0.927 47 K CB -0.660 31.940 32.500 0.167 0.000 0.713 47 K HN -0.113 nan 8.250 nan 0.000 0.443 48 K N 1.039 121.375 120.400 -0.106 0.000 2.097 48 K HA -0.029 4.291 4.320 0.000 0.000 0.206 48 K C 2.134 178.704 176.600 -0.050 0.000 1.049 48 K CA 1.174 57.306 56.287 -0.259 0.000 0.933 48 K CB -0.286 31.971 32.500 -0.406 0.000 0.717 48 K HN 0.248 nan 8.250 nan 0.000 0.442 49 I N 0.244 120.811 120.570 -0.006 0.000 2.286 49 I HA -0.270 3.900 4.170 0.000 0.000 0.248 49 I C 1.918 178.097 176.117 0.103 0.000 1.115 49 I CA 0.938 62.254 61.300 0.026 0.000 1.392 49 I CB -0.206 37.795 38.000 0.003 0.000 1.065 49 I HN 0.189 nan 8.210 nan 0.000 0.418 50 M N -0.577 119.130 119.600 0.178 0.000 2.254 50 M HA -0.144 4.336 4.480 0.000 0.000 0.265 50 M C 2.374 178.793 176.300 0.199 0.000 1.066 50 M CA 1.591 57.021 55.300 0.216 0.000 1.123 50 M CB -1.343 31.458 32.600 0.335 0.000 1.388 50 M HN 0.233 nan 8.290 nan 0.000 0.425 51 F N 1.921 121.894 119.950 0.039 0.000 2.134 51 F HA -0.216 4.311 4.527 0.000 0.000 0.299 51 F C 1.814 177.670 175.800 0.092 0.000 1.097 51 F CA 1.824 59.850 58.000 0.044 0.000 1.264 51 F CB -0.442 38.495 39.000 -0.106 0.000 1.001 51 F HN 0.256 nan 8.300 nan 0.000 0.479 52 N N 0.311 119.105 118.700 0.158 0.000 2.166 52 N HA -0.163 4.577 4.740 0.000 0.000 0.186 52 N C 2.043 177.528 175.510 -0.042 0.000 1.019 52 N CA 1.031 54.099 53.050 0.029 0.000 0.856 52 N CB -0.380 38.145 38.487 0.062 0.000 0.993 52 N HN 0.411 nan 8.380 nan 0.000 0.426 53 A N 1.218 124.037 122.820 -0.001 0.000 1.883 53 A HA -0.095 4.225 4.320 0.000 0.000 0.217 53 A C 2.304 179.820 177.584 -0.113 0.000 1.186 53 A CA 1.878 53.897 52.037 -0.030 0.000 0.624 53 A CB -1.008 18.008 19.000 0.027 0.000 0.822 53 A HN 0.354 nan 8.150 nan 0.000 0.444 54 A N -1.029 121.728 122.820 -0.105 0.000 2.015 54 A HA 0.021 4.341 4.320 0.000 0.000 0.219 54 A C 2.345 179.792 177.584 -0.228 0.000 1.163 54 A CA 1.790 53.734 52.037 -0.156 0.000 0.646 54 A CB -0.620 18.347 19.000 -0.055 0.000 0.806 54 A HN 0.436 nan 8.150 nan 0.000 0.448 55 S N -0.653 114.898 115.700 -0.249 0.000 2.406 55 S HA -0.075 4.395 4.470 0.000 0.000 0.228 55 S C 1.815 176.307 174.600 -0.181 0.000 1.020 55 S CA 1.216 59.259 58.200 -0.262 0.000 0.965 55 S CB -0.185 62.864 63.200 -0.251 0.000 0.798 55 S HN 0.356 nan 8.310 nan 0.000 0.488 56 V N 1.654 121.480 119.914 -0.148 0.000 2.379 56 V HA -0.158 3.962 4.120 0.000 0.000 0.245 56 V C 2.324 178.296 176.094 -0.205 0.000 1.044 56 V CA 1.655 63.865 62.300 -0.149 0.000 1.036 56 V CB -0.720 31.036 31.823 -0.112 0.000 0.664 56 V HN 0.631 nan 8.190 nan 0.000 0.453 57 H N 0.592 119.480 119.070 -0.302 0.000 2.319 57 H HA -0.225 4.331 4.556 0.000 0.000 0.297 57 H C 2.034 177.203 175.328 -0.264 0.000 1.097 57 H CA 2.339 58.181 56.048 -0.343 0.000 1.285 57 H CB -0.083 29.490 29.762 -0.315 0.000 1.368 57 H HN 0.416 nan 8.280 nan 0.000 0.495 58 D N 0.965 121.219 120.400 -0.242 0.000 2.097 58 D HA -0.131 4.509 4.640 0.000 0.000 0.195 58 D C 2.523 178.742 176.300 -0.135 0.000 0.989 58 D CA 0.730 54.608 54.000 -0.202 0.000 0.827 58 D CB -0.180 40.560 40.800 -0.100 0.000 0.966 58 D HN 0.370 nan 8.370 nan 0.000 0.456 59 I N 0.796 121.296 120.570 -0.117 0.000 2.208 59 I HA -0.212 3.958 4.170 0.000 0.000 0.245 59 I C 2.538 178.554 176.117 -0.169 0.000 1.097 59 I CA 0.813 62.086 61.300 -0.044 0.000 1.363 59 I CB -0.973 36.995 38.000 -0.053 0.000 1.051 59 I HN 0.059 nan 8.210 nan 0.000 0.413 60 L N 0.193 121.202 121.223 -0.357 0.000 2.056 60 L HA -0.196 4.144 4.340 0.000 0.000 0.207 60 L C 2.458 179.092 176.870 -0.392 0.000 1.078 60 L CA 1.144 55.681 54.840 -0.506 0.000 0.749 60 L CB -0.490 40.972 42.059 -0.995 0.000 0.901 60 L HN 0.163 nan 8.230 nan 0.000 0.433 61 E N 0.362 120.325 120.200 -0.395 0.000 2.333 61 E HA -0.186 4.164 4.350 0.000 0.000 0.198 61 E C 1.174 177.699 176.600 -0.125 0.000 1.007 61 E CA 1.137 57.444 56.400 -0.156 0.000 0.845 61 E CB 0.018 29.587 29.700 -0.218 0.000 0.766 61 E HN 0.421 nan 8.360 nan 0.000 0.507 62 N N -1.704 116.912 118.700 -0.139 0.000 2.159 62 N HA 0.047 4.787 4.740 0.000 0.000 0.217 62 N C 0.580 175.947 175.510 -0.239 0.000 1.223 62 N CA 0.470 53.382 53.050 -0.230 0.000 0.896 62 N CB 0.741 39.157 38.487 -0.118 0.000 1.064 62 N HN 0.058 nan 8.380 nan 0.000 0.518 63 S N 0.659 116.297 115.700 -0.103 0.000 2.469 63 S HA -0.217 4.253 4.470 0.000 0.000 0.238 63 S C 1.831 176.502 174.600 0.117 0.000 0.998 63 S CA 0.591 58.808 58.200 0.028 0.000 0.957 63 S CB -0.336 62.789 63.200 -0.124 0.000 0.764 63 S HN 0.464 nan 8.310 nan 0.000 0.514 64 R N 1.114 121.545 120.500 -0.114 0.000 2.152 64 R HA -0.058 4.282 4.340 0.000 0.000 0.232 64 R C 1.341 177.569 176.300 -0.120 0.000 1.117 64 R CA 1.524 57.552 56.100 -0.120 0.000 0.981 64 R CB -0.877 29.291 30.300 -0.220 0.000 0.870 64 R HN 0.430 nan 8.270 nan 0.000 0.451 65 H N -0.927 118.067 119.070 -0.126 0.000 2.556 65 H HA 0.019 4.575 4.556 0.000 0.000 0.268 65 H C 0.208 175.364 175.328 -0.286 0.000 0.996 65 H CA 0.547 56.447 56.048 -0.247 0.000 1.157 65 H CB 0.004 29.482 29.762 -0.473 0.000 1.355 65 H HN 0.383 nan 8.280 nan 0.000 0.597 66 Y N -0.957 119.396 120.300 0.088 0.000 2.557 66 Y HA 0.301 4.852 4.550 0.000 0.000 0.247 66 Y C 1.479 177.388 175.900 0.014 0.000 1.164 66 Y CA 0.135 58.300 58.100 0.107 0.000 1.218 66 Y CB 1.305 39.904 38.460 0.232 0.000 1.210 66 Y HN 0.287 nan 8.280 nan 0.000 0.529 67 G N -0.239 108.603 108.800 0.071 0.000 2.179 67 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 67 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 67 G C -0.095 174.669 174.900 -0.227 0.000 0.990 67 G CA -0.502 44.511 45.100 -0.145 0.000 0.646 67 G HN 0.155 nan 8.290 nan 0.000 0.517 68 F N 1.188 121.149 119.950 0.018 0.000 2.379 68 F HA 0.608 5.135 4.527 0.000 0.000 0.332 68 F C 0.299 176.092 175.800 -0.012 0.000 1.096 68 F CA -0.688 57.314 58.000 0.003 0.000 1.105 68 F CB 1.151 40.154 39.000 0.004 0.000 1.189 68 F HN -0.133 nan 8.300 nan 0.000 0.515 69 D N 0.953 121.457 120.400 0.173 0.000 2.392 69 D HA 0.394 5.034 4.640 0.000 0.000 0.228 69 D C -0.889 175.482 176.300 0.117 0.000 1.074 69 D CA -0.035 54.025 54.000 0.100 0.000 0.838 69 D CB 1.287 42.124 40.800 0.062 0.000 1.067 69 D HN 0.374 nan 8.370 nan 0.000 0.511 70 T N 2.457 117.072 114.554 0.102 0.000 2.886 70 T HA 0.493 4.843 4.350 0.000 0.000 0.292 70 T C -0.771 174.015 174.700 0.144 0.000 1.012 70 T CA -0.877 61.294 62.100 0.118 0.000 0.982 70 T CB 1.624 70.549 68.868 0.094 0.000 1.018 70 T HN 0.178 nan 8.240 nan 0.000 0.451 71 K N 3.408 123.907 120.400 0.164 0.000 2.601 71 K HA 0.591 4.911 4.320 0.000 0.000 0.249 71 K C -1.744 174.966 176.600 0.182 0.000 0.966 71 K CA -0.823 55.531 56.287 0.113 0.000 0.827 71 K CB 1.081 33.608 32.500 0.046 0.000 1.178 71 K HN 0.632 nan 8.250 nan 0.000 0.437 72 F N 0.395 120.360 119.950 0.025 0.000 2.619 72 F HA 0.637 5.164 4.527 0.000 0.000 0.308 72 F C -1.203 174.642 175.800 0.076 0.000 1.097 72 F CA -0.713 57.314 58.000 0.045 0.000 0.953 72 F CB 1.574 40.598 39.000 0.041 0.000 1.287 72 F HN 0.374 nan 8.300 nan 0.000 0.446 73 S N 2.298 118.084 115.700 0.143 0.000 2.638 73 S HA 0.824 5.294 4.470 0.000 0.000 0.302 73 S C -1.575 173.254 174.600 0.381 0.000 1.096 73 S CA -0.621 57.628 58.200 0.082 0.000 0.953 73 S CB 2.235 65.436 63.200 0.003 0.000 1.107 73 S HN 0.939 nan 8.310 nan 0.000 0.503 74 F N 1.282 121.339 119.950 0.178 0.000 2.508 74 F HA 0.716 5.243 4.527 0.000 0.000 0.325 74 F C -0.710 175.143 175.800 0.089 0.000 1.090 74 F CA -1.084 57.025 58.000 0.182 0.000 0.945 74 F CB 1.792 40.928 39.000 0.227 0.000 1.156 74 F HN 0.818 nan 8.300 nan 0.000 0.463 75 N N 5.320 123.433 118.700 -0.978 0.000 2.577 75 N HA 0.250 4.990 4.740 0.000 0.000 0.275 75 N C 0.230 175.121 175.510 -1.032 0.000 1.091 75 N CA -0.498 52.120 53.050 -0.721 0.000 0.843 75 N CB 1.105 39.406 38.487 -0.311 0.000 1.295 75 N HN 0.698 nan 8.380 nan 0.000 0.530 76 L N 6.101 126.742 121.223 -0.969 0.000 2.046 76 L HA 0.225 4.565 4.340 0.000 0.000 0.208 76 L C -1.092 175.650 176.870 -0.213 0.000 1.077 76 L CA 1.929 56.467 54.840 -0.503 0.000 0.747 76 L CB -0.841 41.166 42.059 -0.087 0.000 0.896 76 L HN 0.497 nan 8.230 nan 0.000 0.432 77 P HA -0.208 nan 4.420 nan 0.000 0.217 77 P C 2.196 179.453 177.300 -0.072 0.000 1.148 77 P CA 1.548 64.592 63.100 -0.093 0.000 0.828 77 P CB -0.043 31.608 31.700 -0.082 0.000 0.783 78 L N -1.478 119.683 121.223 -0.104 0.000 2.005 78 L HA -0.144 4.196 4.340 0.000 0.000 0.207 78 L C 2.293 179.163 176.870 -0.001 0.000 1.072 78 L CA 1.019 55.828 54.840 -0.050 0.000 0.744 78 L CB -0.892 41.131 42.059 -0.061 0.000 0.895 78 L HN -0.028 nan 8.230 nan 0.000 0.433 79 L N -0.498 120.734 121.223 0.014 0.000 2.081 79 L HA -0.216 4.124 4.340 0.000 0.000 0.212 79 L C 2.281 179.200 176.870 0.080 0.000 1.080 79 L CA 1.766 56.670 54.840 0.107 0.000 0.754 79 L CB -0.504 41.706 42.059 0.251 0.000 0.893 79 L HN -0.006 nan 8.230 nan 0.000 0.433 80 V N -0.398 119.541 119.914 0.043 0.000 2.261 80 V HA -0.257 3.863 4.120 0.000 0.000 0.246 80 V C 2.665 178.786 176.094 0.046 0.000 1.047 80 V CA 2.057 64.383 62.300 0.043 0.000 1.015 80 V CB -0.825 31.004 31.823 0.010 0.000 0.642 80 V HN 0.537 nan 8.190 nan 0.000 0.446 81 E N 0.128 120.346 120.200 0.029 0.000 2.110 81 E HA -0.216 4.134 4.350 0.000 0.000 0.193 81 E C 2.494 179.124 176.600 0.050 0.000 0.988 81 E CA 0.943 57.363 56.400 0.034 0.000 0.804 81 E CB -0.034 29.678 29.700 0.020 0.000 0.745 81 E HN 0.355 nan 8.360 nan 0.000 0.458 82 R N 0.564 121.096 120.500 0.053 0.000 2.080 82 R HA -0.139 4.201 4.340 0.000 0.000 0.236 82 R C 2.496 178.852 176.300 0.093 0.000 1.137 82 R CA 1.361 57.501 56.100 0.066 0.000 0.943 82 R CB -1.016 29.319 30.300 0.058 0.000 0.846 82 R HN 0.246 nan 8.270 nan 0.000 0.431 83 R N 0.872 121.427 120.500 0.091 0.000 2.096 83 R HA -0.124 4.216 4.340 0.000 0.000 0.235 83 R C 0.975 177.353 176.300 0.130 0.000 1.127 83 R CA 1.861 58.027 56.100 0.110 0.000 0.968 83 R CB -0.066 30.298 30.300 0.106 0.000 0.861 83 R HN 0.114 nan 8.270 nan 0.000 0.440 84 D N 0.362 120.819 120.400 0.095 0.000 2.183 84 D HA -0.101 4.539 4.640 0.000 0.000 0.203 84 D C 1.636 177.978 176.300 0.070 0.000 0.969 84 D CA 0.832 54.877 54.000 0.074 0.000 0.842 84 D CB -0.082 40.751 40.800 0.054 0.000 0.957 84 D HN 0.242 nan 8.370 nan 0.000 0.484 85 K N -0.327 120.119 120.400 0.078 0.000 2.032 85 K HA -0.208 4.112 4.320 0.000 0.000 0.209 85 K C 2.121 178.771 176.600 0.083 0.000 1.048 85 K CA 0.937 57.263 56.287 0.065 0.000 0.927 85 K CB -0.175 32.367 32.500 0.070 0.000 0.712 85 K HN 0.085 nan 8.250 nan 0.000 0.441 86 Y N 1.372 121.676 120.300 0.006 0.000 2.114 86 Y HA -0.208 4.342 4.550 0.000 0.000 0.284 86 Y C 1.815 177.716 175.900 0.001 0.000 1.143 86 Y CA 1.728 59.829 58.100 0.001 0.000 1.135 86 Y CB -0.238 38.224 38.460 0.004 0.000 0.980 86 Y HN 0.008 nan 8.280 nan 0.000 0.499 87 I N 0.395 121.006 120.570 0.069 0.000 2.315 87 I HA -0.373 3.797 4.170 0.000 0.000 0.251 87 I C 2.621 178.697 176.117 -0.068 0.000 1.125 87 I CA 1.819 63.112 61.300 -0.011 0.000 1.392 87 I CB -0.522 37.507 38.000 0.048 0.000 1.065 87 I HN 0.412 nan 8.210 nan 0.000 0.424 88 Q N 1.615 121.381 119.800 -0.056 0.000 2.079 88 Q HA -0.257 4.083 4.340 0.000 0.000 0.200 88 Q C 2.389 178.327 176.000 -0.102 0.000 0.974 88 Q CA 1.662 57.435 55.803 -0.050 0.000 0.840 88 Q CB -0.088 28.634 28.738 -0.026 0.000 0.898 88 Q HN 0.503 nan 8.270 nan 0.000 0.430 89 R N 0.151 120.543 120.500 -0.180 0.000 2.120 89 R HA -0.112 4.228 4.340 0.000 0.000 0.234 89 R C 2.129 178.243 176.300 -0.311 0.000 1.123 89 R CA 1.213 57.172 56.100 -0.235 0.000 0.975 89 R CB -0.339 29.800 30.300 -0.267 0.000 0.866 89 R HN 0.314 nan 8.270 nan 0.000 0.446 90 L N 0.861 121.859 121.223 -0.374 0.000 2.056 90 L HA -0.125 4.215 4.340 0.000 0.000 0.207 90 L C 1.886 178.558 176.870 -0.330 0.000 1.078 90 L CA 1.860 56.430 54.840 -0.450 0.000 0.749 90 L CB -0.615 41.328 42.059 -0.193 0.000 0.901 90 L HN 0.341 nan 8.230 nan 0.000 0.433 91 N N 0.038 118.762 118.700 0.040 0.000 2.149 91 N HA -0.231 4.509 4.740 0.000 0.000 0.188 91 N C 1.619 177.170 175.510 0.069 0.000 1.019 91 N CA 1.454 54.628 53.050 0.207 0.000 0.857 91 N CB -0.217 38.332 38.487 0.103 0.000 0.997 91 N HN 0.287 nan 8.380 nan 0.000 0.426 92 N N 0.725 119.395 118.700 -0.051 0.000 2.142 92 N HA 0.020 4.760 4.740 0.000 0.000 0.186 92 N C 1.487 176.933 175.510 -0.107 0.000 1.023 92 N CA 0.713 53.725 53.050 -0.065 0.000 0.852 92 N CB 0.062 38.503 38.487 -0.077 0.000 0.998 92 N HN 0.179 nan 8.380 nan 0.000 0.424 93 I N -0.354 120.080 120.570 -0.227 0.000 2.179 93 I HA -0.322 3.848 4.170 0.000 0.000 0.242 93 I C 1.351 177.326 176.117 -0.237 0.000 1.088 93 I CA 1.219 62.348 61.300 -0.284 0.000 1.357 93 I CB -0.460 37.271 38.000 -0.449 0.000 1.051 93 I HN 0.271 nan 8.210 nan 0.000 0.409 94 Y N 0.391 120.662 120.300 -0.049 0.000 2.207 94 Y HA -0.264 4.286 4.550 0.000 0.000 0.287 94 Y C 2.714 178.595 175.900 -0.031 0.000 1.156 94 Y CA 1.324 59.402 58.100 -0.036 0.000 1.182 94 Y CB -0.495 37.945 38.460 -0.033 0.000 0.979 94 Y HN 0.140 nan 8.280 nan 0.000 0.521 95 R N 0.671 121.232 120.500 0.101 0.000 2.193 95 R HA -0.142 4.198 4.340 0.000 0.000 0.213 95 R C 2.062 178.370 176.300 0.013 0.000 1.055 95 R CA 1.016 57.146 56.100 0.049 0.000 0.995 95 R CB -0.156 30.162 30.300 0.030 0.000 0.893 95 R HN 0.430 nan 8.270 nan 0.000 0.459 96 Q N 0.433 120.227 119.800 -0.011 0.000 2.096 96 Q HA -0.080 4.260 4.340 0.000 0.000 0.197 96 Q C 1.286 177.277 176.000 -0.015 0.000 0.964 96 Q CA 1.660 57.448 55.803 -0.025 0.000 0.838 96 Q CB 0.087 28.795 28.738 -0.051 0.000 0.906 96 Q HN 0.536 nan 8.270 nan 0.000 0.444 97 N N 0.024 118.719 118.700 -0.008 0.000 2.289 97 N HA -0.114 4.626 4.740 0.000 0.000 0.184 97 N C 1.550 177.068 175.510 0.012 0.000 1.016 97 N CA 0.558 53.610 53.050 0.003 0.000 0.872 97 N CB 0.066 38.568 38.487 0.025 0.000 0.973 97 N HN 0.193 nan 8.380 nan 0.000 0.433 98 L N -0.283 120.955 121.223 0.024 0.000 2.465 98 L HA 0.014 4.354 4.340 0.000 0.000 0.224 98 L C 1.594 178.470 176.870 0.010 0.000 1.145 98 L CA 0.620 55.473 54.840 0.021 0.000 0.834 98 L CB 0.071 42.149 42.059 0.031 0.000 0.944 98 L HN 0.158 nan 8.230 nan 0.000 0.451 99 S N -1.164 114.537 115.700 0.002 0.000 2.497 99 S HA -0.008 4.462 4.470 0.000 0.000 0.221 99 S C 1.800 176.396 174.600 -0.006 0.000 1.037 99 S CA 0.050 58.249 58.200 -0.002 0.000 0.920 99 S CB 0.395 63.590 63.200 -0.008 0.000 0.800 99 S HN 0.221 nan 8.310 nan 0.000 0.505 100 K N 1.136 121.530 120.400 -0.009 0.000 2.103 100 K HA -0.100 4.220 4.320 0.000 0.000 0.207 100 K C 0.360 176.951 176.600 -0.016 0.000 1.048 100 K CA 1.448 57.726 56.287 -0.014 0.000 0.930 100 K CB 0.039 32.529 32.500 -0.016 0.000 0.716 100 K HN 0.118 nan 8.250 nan 0.000 0.444 101 D N -0.409 119.982 120.400 -0.015 0.000 2.363 101 D HA 0.051 4.691 4.640 0.000 0.000 0.214 101 D C -0.338 175.950 176.300 -0.020 0.000 1.093 101 D CA 0.207 54.192 54.000 -0.024 0.000 0.837 101 D CB 0.694 41.475 40.800 -0.032 0.000 0.948 101 D HN 0.050 nan 8.370 nan 0.000 0.507 102 K N -1.062 119.334 120.400 -0.006 0.000 3.434 102 K HA -0.103 4.217 4.320 0.000 0.000 0.303 102 K C -0.353 176.264 176.600 0.028 0.000 1.351 102 K CA 0.148 56.440 56.287 0.007 0.000 0.900 102 K CB -2.316 30.182 32.500 -0.002 0.000 1.385 102 K HN 0.091 nan 8.250 nan 0.000 0.477 103 V N 2.171 122.099 119.914 0.023 0.000 2.583 103 V HA 0.109 4.229 4.120 0.000 0.000 0.287 103 V C 0.580 176.714 176.094 0.068 0.000 1.051 103 V CA -0.213 62.110 62.300 0.038 0.000 1.010 103 V CB 1.329 33.159 31.823 0.010 0.000 0.988 103 V HN 0.036 nan 8.190 nan 0.000 0.478 104 D N 4.422 124.898 120.400 0.126 0.000 2.453 104 D HA 0.318 4.958 4.640 0.000 0.000 0.223 104 D C 0.074 176.521 176.300 0.245 0.000 1.183 104 D CA -0.141 53.984 54.000 0.208 0.000 0.933 104 D CB 0.650 41.723 40.800 0.455 0.000 1.038 104 D HN 0.527 nan 8.370 nan 0.000 0.513 105 L N 0.991 122.280 121.223 0.109 0.000 2.439 105 L HA 0.418 4.758 4.340 0.000 0.000 0.269 105 L C -1.209 175.725 176.870 0.107 0.000 1.179 105 L CA 0.073 54.984 54.840 0.118 0.000 0.828 105 L CB 0.364 42.442 42.059 0.032 0.000 1.106 105 L HN 0.094 nan 8.230 nan 0.000 0.467 106 Y N 1.434 121.704 120.300 -0.049 0.000 2.396 106 Y HA 0.425 4.975 4.550 0.000 0.000 0.332 106 Y C -0.673 175.206 175.900 -0.034 0.000 1.034 106 Y CA -0.955 57.121 58.100 -0.039 0.000 1.057 106 Y CB 1.780 40.208 38.460 -0.053 0.000 1.220 106 Y HN 0.600 nan 8.280 nan 0.000 0.440 107 E N 2.489 122.735 120.200 0.077 0.000 2.146 107 E HA 0.731 5.081 4.350 0.000 0.000 0.282 107 E C 0.000 176.632 176.600 0.053 0.000 0.989 107 E CA -0.637 55.790 56.400 0.045 0.000 0.799 107 E CB 2.126 31.834 29.700 0.013 0.000 1.088 107 E HN 0.826 nan 8.360 nan 0.000 0.397 108 G N 1.817 110.643 108.800 0.042 0.000 2.328 108 G HA2 0.099 4.059 3.960 0.000 0.000 0.299 108 G HA3 0.099 4.059 3.960 0.000 0.000 0.299 108 G C -0.848 174.064 174.900 0.021 0.000 1.435 108 G CA -0.961 44.159 45.100 0.034 0.000 0.865 108 G HN 0.287 nan 8.290 nan 0.000 0.601 109 T N 0.827 115.391 114.554 0.016 0.000 2.907 109 T HA 0.588 4.938 4.350 0.000 0.000 0.298 109 T C 0.791 175.490 174.700 -0.002 0.000 1.017 109 T CA 0.802 62.909 62.100 0.011 0.000 1.118 109 T CB 1.328 70.206 68.868 0.016 0.000 0.948 109 T HN 1.364 nan 8.240 nan 0.000 0.531 110 A N 2.393 125.206 122.820 -0.011 0.000 2.304 110 A HA 0.720 5.040 4.320 0.000 0.000 0.301 110 A C 0.243 177.815 177.584 -0.020 0.000 1.132 110 A CA -0.597 51.412 52.037 -0.048 0.000 0.819 110 A CB 0.875 19.829 19.000 -0.076 0.000 1.094 110 A HN 0.733 nan 8.150 nan 0.000 0.492 111 S N 0.899 116.564 115.700 -0.058 0.000 2.543 111 S HA 0.668 5.138 4.470 0.000 0.000 0.271 111 S C -1.111 173.470 174.600 -0.032 0.000 1.148 111 S CA -0.556 57.657 58.200 0.022 0.000 0.914 111 S CB 0.313 63.536 63.200 0.037 0.000 1.096 111 S HN 0.451 nan 8.310 nan 0.000 0.471 112 F N 2.862 122.812 119.950 -0.000 0.000 2.378 112 F HA 0.575 5.102 4.527 0.000 0.000 0.319 112 F C 0.695 176.496 175.800 0.003 0.000 1.155 112 F CA -0.262 57.738 58.000 0.001 0.000 1.157 112 F CB 0.652 39.652 39.000 0.001 0.000 1.252 112 F HN 0.446 nan 8.300 nan 0.000 0.550 141 G N 0.076 108.931 108.800 0.092 0.000 2.660 141 G HA2 0.567 4.527 3.960 0.000 0.000 0.294 141 G HA3 0.567 4.527 3.960 0.000 0.000 0.294 141 G C 0.275 175.245 174.900 0.117 0.000 1.369 141 G CA -0.225 44.960 45.100 0.142 0.000 0.912 141 G HN 0.442 nan 8.290 nan 0.000 0.479 142 R N -0.570 120.015 120.500 0.141 0.000 2.112 142 R HA 0.117 4.457 4.340 0.000 0.000 0.216 142 R C -0.266 176.123 176.300 0.147 0.000 1.080 142 R CA 0.643 56.821 56.100 0.129 0.000 0.996 142 R CB 0.152 30.533 30.300 0.135 0.000 0.902 142 R HN 0.479 nan 8.270 nan 0.000 0.449 143 N N 0.418 119.224 118.700 0.177 0.000 2.519 143 N HA 0.251 4.991 4.740 0.000 0.000 0.286 143 N C -1.315 174.322 175.510 0.212 0.000 1.079 143 N CA -0.325 52.858 53.050 0.222 0.000 0.878 143 N CB 1.913 40.518 38.487 0.196 0.000 1.375 143 N HN 0.029 nan 8.380 nan 0.000 0.514 144 I N 1.755 122.465 120.570 0.234 0.000 2.354 144 I HA 0.315 4.485 4.170 0.000 0.000 0.292 144 I C -0.344 175.925 176.117 0.254 0.000 0.989 144 I CA -1.025 60.392 61.300 0.195 0.000 1.188 144 I CB 1.605 39.712 38.000 0.179 0.000 1.342 144 I HN 0.241 nan 8.210 nan 0.000 0.457 145 L N 8.484 129.817 121.223 0.183 0.000 2.280 145 L HA 0.527 4.867 4.340 0.000 0.000 0.287 145 L C -0.474 176.487 176.870 0.151 0.000 1.023 145 L CA -0.039 54.911 54.840 0.185 0.000 0.819 145 L CB 0.835 42.971 42.059 0.130 0.000 1.212 145 L HN 0.392 nan 8.230 nan 0.000 0.420 146 I N 5.822 126.494 120.570 0.170 0.000 2.452 146 I HA 0.436 4.606 4.170 0.000 0.000 0.287 146 I C 0.518 176.690 176.117 0.092 0.000 1.079 146 I CA 0.228 61.611 61.300 0.138 0.000 1.387 146 I CB 1.010 39.088 38.000 0.129 0.000 1.404 146 I HN 0.834 nan 8.210 nan 0.000 0.522 147 A N 6.319 129.178 122.820 0.065 0.000 3.370 147 A HA 0.470 4.790 4.320 0.000 0.000 0.295 147 A C 0.152 177.750 177.584 0.023 0.000 1.030 147 A CA -0.370 51.691 52.037 0.042 0.000 0.883 147 A CB 0.306 19.327 19.000 0.034 0.000 1.191 147 A HN 0.626 nan 8.150 nan 0.000 0.507 148 V N -1.276 118.650 119.914 0.019 0.000 3.006 148 V HA 0.580 4.700 4.120 0.000 0.000 0.357 148 V C 1.059 177.145 176.094 -0.013 0.000 1.377 148 V CA 0.154 62.458 62.300 0.006 0.000 1.198 148 V CB -1.013 30.820 31.823 0.015 0.000 1.216 148 V HN 1.464 nan 8.190 nan 0.000 0.520 149 G N 2.826 111.615 108.800 -0.017 0.000 2.477 149 G HA2 -0.320 3.640 3.960 0.000 0.000 0.740 149 G HA3 -0.320 3.640 3.960 0.000 0.000 0.740 149 G C 0.286 175.148 174.900 -0.063 0.000 1.399 149 G CA 1.179 46.259 45.100 -0.032 0.000 0.902 149 G HN 0.709 nan 8.290 nan 0.000 0.507 150 N N -0.015 118.655 118.700 -0.050 0.000 2.818 150 N HA 0.646 5.386 4.740 0.000 0.000 0.312 150 N C -0.159 175.341 175.510 -0.017 0.000 1.368 150 N CA -0.305 52.709 53.050 -0.060 0.000 0.817 150 N CB 0.719 39.170 38.487 -0.060 0.000 1.116 150 N HN 0.512 nan 8.380 nan 0.000 0.519 151 K N -0.415 119.983 120.400 -0.003 0.000 2.675 151 K HA 0.365 4.685 4.320 0.000 0.000 0.280 151 K C -2.940 173.671 176.600 0.019 0.000 0.993 151 K CA -1.055 55.247 56.287 0.025 0.000 0.863 151 K CB 1.633 34.154 32.500 0.036 0.000 1.438 151 K HN 0.218 nan 8.250 nan 0.000 0.389 152 P HA 0.200 nan 4.420 nan 0.000 0.272 152 P C -0.637 176.606 177.300 -0.094 0.000 1.230 152 P CA -0.566 62.496 63.100 -0.064 0.000 0.788 152 P CB 0.592 32.229 31.700 -0.105 0.000 0.949 153 V N 3.235 123.028 119.914 -0.202 0.000 2.378 153 V HA 0.344 4.464 4.120 0.000 0.000 0.288 153 V C -0.671 175.254 176.094 -0.283 0.000 1.016 153 V CA -0.253 61.962 62.300 -0.141 0.000 0.840 153 V CB 0.141 31.955 31.823 -0.015 0.000 0.994 153 V HN 0.351 nan 8.190 nan 0.000 0.431 154 F N 7.142 127.085 119.950 -0.012 0.000 2.361 154 F HA 0.546 5.073 4.527 0.000 0.000 0.364 154 F C -1.581 174.159 175.800 -0.100 0.000 1.117 154 F CA -2.153 55.793 58.000 -0.090 0.000 1.071 154 F CB 1.184 40.125 39.000 -0.098 0.000 1.188 154 F HN 0.368 nan 8.300 nan 0.000 0.464 155 P HA 0.207 nan 4.420 nan 0.000 0.274 155 P C -2.647 174.642 177.300 -0.019 0.000 1.246 155 P CA -1.903 61.199 63.100 0.004 0.000 0.795 155 P CB -0.082 31.622 31.700 0.006 0.000 1.006 156 P HA 0.142 nan 4.420 nan 0.000 0.256 156 P C -0.751 176.534 177.300 -0.025 0.000 1.688 156 P CA 0.364 63.455 63.100 -0.015 0.000 1.162 156 P CB -0.112 31.587 31.700 -0.002 0.000 1.870 157 V N 3.589 123.470 119.914 -0.055 0.000 2.769 157 V HA 0.293 4.413 4.120 0.000 0.000 0.312 157 V C 0.448 176.510 176.094 -0.053 0.000 1.061 157 V CA -1.038 61.233 62.300 -0.048 0.000 0.931 157 V CB 2.591 34.372 31.823 -0.070 0.000 1.010 157 V HN 0.105 nan 8.190 nan 0.000 0.433 158 K N 2.501 122.882 120.400 -0.032 0.000 2.382 158 K HA 0.480 4.800 4.320 0.000 0.000 0.286 158 K C 0.893 177.470 176.600 -0.039 0.000 1.062 158 K CA 1.210 57.475 56.287 -0.038 0.000 1.000 158 K CB 0.178 32.657 32.500 -0.035 0.000 0.954 158 K HN 1.052 nan 8.250 nan 0.000 0.470 159 G N 3.217 111.988 108.800 -0.049 0.000 2.201 159 G HA2 -0.263 3.697 3.960 0.000 0.000 0.212 159 G HA3 -0.263 3.697 3.960 0.000 0.000 0.212 159 G C 0.881 175.749 174.900 -0.054 0.000 0.994 159 G CA 0.056 45.132 45.100 -0.041 0.000 0.644 159 G HN 0.626 nan 8.290 nan 0.000 0.508 160 I N 1.427 121.944 120.570 -0.089 0.000 2.381 160 I HA -0.197 3.973 4.170 0.000 0.000 0.255 160 I C 2.532 178.570 176.117 -0.132 0.000 1.140 160 I CA 2.317 63.536 61.300 -0.135 0.000 1.404 160 I CB 0.042 37.939 38.000 -0.171 0.000 1.075 160 I HN 0.400 nan 8.210 nan 0.000 0.433 161 E N 0.693 120.822 120.200 -0.119 0.000 2.118 161 E HA -0.220 4.130 4.350 0.000 0.000 0.195 161 E C 1.096 177.639 176.600 -0.095 0.000 0.992 161 E CA 1.153 57.477 56.400 -0.128 0.000 0.804 161 E CB -0.545 29.100 29.700 -0.092 0.000 0.741 161 E HN 0.659 nan 8.360 nan 0.000 0.458 162 N N 0.794 119.463 118.700 -0.051 0.000 2.421 162 N HA -0.001 4.739 4.740 0.000 0.000 0.201 162 N C 0.060 175.584 175.510 0.023 0.000 1.198 162 N CA 0.343 53.384 53.050 -0.016 0.000 0.838 162 N CB 0.425 38.911 38.487 -0.002 0.000 1.011 162 N HN -0.045 nan 8.380 nan 0.000 0.463 163 T N 0.484 115.055 114.554 0.029 0.000 2.940 163 T HA 0.738 5.088 4.350 0.000 0.000 0.288 163 T C 0.177 174.997 174.700 0.200 0.000 1.045 163 T CA -0.672 61.514 62.100 0.143 0.000 1.018 163 T CB 1.592 70.578 68.868 0.198 0.000 1.151 163 T HN 0.129 nan 8.240 nan 0.000 0.529 164 I N -1.080 119.686 120.570 0.326 0.000 3.322 164 I HA 0.912 5.082 4.170 0.000 0.000 0.313 164 I C -0.573 175.801 176.117 0.429 0.000 1.129 164 I CA -1.048 60.475 61.300 0.371 0.000 0.963 164 I CB 2.275 40.439 38.000 0.273 0.000 1.273 164 I HN 0.602 nan 8.210 nan 0.000 0.473 165 S N 0.413 116.325 115.700 0.354 0.000 2.542 165 S HA 0.346 4.816 4.470 0.000 0.000 0.293 165 S C 0.804 175.482 174.600 0.129 0.000 1.089 165 S CA 0.077 58.373 58.200 0.161 0.000 0.961 165 S CB 1.605 64.855 63.200 0.083 0.000 1.062 165 S HN 1.021 nan 8.310 nan 0.000 0.483 166 S N 2.141 117.862 115.700 0.035 0.000 2.461 166 S HA -0.313 4.157 4.470 0.000 0.000 0.266 166 S C 1.189 175.876 174.600 0.146 0.000 1.138 166 S CA 2.744 60.947 58.200 0.005 0.000 1.146 166 S CB -1.205 61.968 63.200 -0.045 0.000 1.042 166 S HN 0.873 nan 8.310 nan 0.000 0.448 167 D N 0.668 121.184 120.400 0.194 0.000 2.108 167 D HA -0.087 4.553 4.640 0.000 0.000 0.190 167 D C 2.054 178.550 176.300 0.326 0.000 0.995 167 D CA 1.704 55.883 54.000 0.297 0.000 0.834 167 D CB -0.686 40.243 40.800 0.214 0.000 0.967 167 D HN 0.504 nan 8.370 nan 0.000 0.446 168 E N -0.256 120.085 120.200 0.235 0.000 2.219 168 E HA -0.147 4.203 4.350 0.000 0.000 0.198 168 E C 1.725 178.400 176.600 0.126 0.000 0.998 168 E CA 0.191 56.703 56.400 0.187 0.000 0.818 168 E CB -0.524 29.289 29.700 0.188 0.000 0.741 168 E HN 0.413 nan 8.360 nan 0.000 0.477 169 F N -0.063 119.835 119.950 -0.088 0.000 2.192 169 F HA -0.211 4.316 4.527 0.000 0.000 0.301 169 F C 1.310 176.896 175.800 -0.356 0.000 1.079 169 F CA 1.083 58.916 58.000 -0.278 0.000 1.303 169 F CB -0.190 38.545 39.000 -0.441 0.000 1.024 169 F HN -0.033 nan 8.300 nan 0.000 0.494 170 F N 0.869 120.848 119.950 0.047 0.000 2.722 170 F HA -0.050 4.477 4.527 0.000 0.000 0.298 170 F C 1.441 177.174 175.800 -0.111 0.000 1.175 170 F CA 0.527 58.481 58.000 -0.076 0.000 1.462 170 F CB -0.870 38.189 39.000 0.099 0.000 1.111 170 F HN 0.078 nan 8.300 nan 0.000 0.592 171 N N -0.010 118.673 118.700 -0.029 0.000 2.254 171 N HA 0.132 4.873 4.740 0.000 0.000 0.190 171 N C 0.493 175.941 175.510 -0.103 0.000 1.107 171 N CA 0.162 53.202 53.050 -0.017 0.000 0.869 171 N CB 0.323 38.834 38.487 0.041 0.000 0.983 171 N HN 0.162 nan 8.380 nan 0.000 0.487 172 I N 1.821 122.234 120.570 -0.261 0.000 2.578 172 I HA -0.044 4.126 4.170 0.000 0.000 0.286 172 I C 0.681 176.669 176.117 -0.215 0.000 1.126 172 I CA 0.517 61.639 61.300 -0.295 0.000 1.380 172 I CB 0.308 37.983 38.000 -0.541 0.000 1.408 172 I HN -0.080 nan 8.210 nan 0.000 0.532 173 K N 4.617 124.958 120.400 -0.099 0.000 2.374 173 K HA 0.285 4.605 4.320 0.000 0.000 0.202 173 K C -0.192 176.386 176.600 -0.035 0.000 1.040 173 K CA 0.085 56.331 56.287 -0.067 0.000 1.085 173 K CB 0.578 33.052 32.500 -0.043 0.000 0.873 173 K HN 0.535 nan 8.250 nan 0.000 0.539 174 E N 0.692 120.891 120.200 -0.001 0.000 2.308 174 E HA 0.396 4.746 4.350 0.000 0.000 0.275 174 E C -1.459 175.201 176.600 0.100 0.000 0.890 174 E CA -0.737 55.688 56.400 0.042 0.000 0.754 174 E CB 2.290 32.022 29.700 0.053 0.000 1.207 174 E HN 0.000 nan 8.360 nan 0.000 0.426 175 S N 2.237 117.998 115.700 0.102 0.000 2.596 175 S HA 0.194 4.664 4.470 0.000 0.000 0.305 175 S C -0.770 173.911 174.600 0.136 0.000 1.086 175 S CA -0.692 57.602 58.200 0.157 0.000 0.909 175 S CB 1.212 64.499 63.200 0.145 0.000 1.106 175 S HN 0.432 nan 8.310 nan 0.000 0.450 176 K N 3.196 123.679 120.400 0.138 0.000 2.334 176 K HA 0.428 4.748 4.320 0.000 0.000 0.195 176 K C 0.156 176.833 176.600 0.129 0.000 1.045 176 K CA 0.670 57.023 56.287 0.111 0.000 1.004 176 K CB 0.222 32.767 32.500 0.074 0.000 0.837 176 K HN 0.580 nan 8.250 nan 0.000 0.510 177 K N 0.692 121.195 120.400 0.172 0.000 2.553 177 K HA 0.357 4.677 4.320 0.000 0.000 0.250 177 K C -1.472 175.355 176.600 0.378 0.000 0.953 177 K CA -0.458 55.955 56.287 0.210 0.000 0.800 177 K CB 1.065 33.602 32.500 0.061 0.000 1.243 177 K HN -0.006 nan 8.250 nan 0.000 0.435 178 I N 2.134 122.967 120.570 0.438 0.000 2.545 178 I HA 0.426 4.596 4.170 0.000 0.000 0.292 178 I C 0.127 176.530 176.117 0.476 0.000 1.040 178 I CA -1.096 60.480 61.300 0.460 0.000 1.068 178 I CB 2.272 40.444 38.000 0.287 0.000 1.251 178 I HN 0.708 nan 8.210 nan 0.000 0.424 179 G N 6.695 115.576 108.800 0.136 0.000 2.478 179 G HA2 0.688 4.648 3.960 0.000 0.000 0.317 179 G HA3 0.688 4.648 3.960 0.000 0.000 0.317 179 G C -0.814 174.015 174.900 -0.119 0.000 1.259 179 G CA -0.388 44.594 45.100 -0.195 0.000 0.933 179 G HN 0.421 nan 8.290 nan 0.000 0.478 180 I N 2.296 122.872 120.570 0.010 0.000 2.359 180 I HA 0.248 4.418 4.170 0.000 0.000 0.294 180 I C -0.374 175.694 176.117 -0.081 0.000 0.987 180 I CA -0.849 60.415 61.300 -0.060 0.000 1.225 180 I CB 2.132 40.096 38.000 -0.060 0.000 1.366 180 I HN 0.013 nan 8.210 nan 0.000 0.466 181 V N 5.698 125.432 119.914 -0.300 0.000 2.328 181 V HA 0.832 4.952 4.120 0.000 0.000 0.278 181 V C 0.388 176.261 176.094 -0.368 0.000 1.021 181 V CA -0.109 61.924 62.300 -0.445 0.000 0.838 181 V CB 0.733 31.910 31.823 -1.075 0.000 0.999 181 V HN 1.084 nan 8.190 nan 0.000 0.447 182 G N 3.800 112.490 108.800 -0.183 0.000 2.339 182 G HA2 0.277 4.237 3.960 0.000 0.000 0.381 182 G HA3 0.277 4.237 3.960 0.000 0.000 0.381 182 G C -0.304 174.549 174.900 -0.078 0.000 1.400 182 G CA -0.103 44.925 45.100 -0.120 0.000 1.002 182 G HN 1.130 nan 8.290 nan 0.000 0.633 183 S N -1.034 114.636 115.700 -0.049 0.000 3.082 183 S HA 0.591 5.061 4.470 0.000 0.000 0.253 183 S C 0.977 175.584 174.600 0.010 0.000 0.961 183 S CA 0.727 58.906 58.200 -0.034 0.000 1.129 183 S CB 0.535 63.712 63.200 -0.038 0.000 1.083 183 S HN 1.884 nan 8.310 nan 0.000 0.605 184 G N 1.378 110.185 108.800 0.012 0.000 2.611 184 G HA2 0.352 4.312 3.960 0.000 0.000 0.273 184 G HA3 0.352 4.312 3.960 0.000 0.000 0.273 184 G C 0.534 175.480 174.900 0.077 0.000 1.305 184 G CA -0.362 44.790 45.100 0.087 0.000 1.010 184 G HN 0.505 nan 8.290 nan 0.000 0.509 185 Y N -1.214 119.129 120.300 0.072 0.000 2.274 185 Y HA -0.039 4.511 4.550 0.000 0.000 0.290 185 Y C 2.230 178.129 175.900 -0.001 0.000 1.145 185 Y CA 1.338 59.454 58.100 0.026 0.000 1.203 185 Y CB -0.318 38.162 38.460 0.033 0.000 0.984 185 Y HN 0.198 nan 8.280 nan 0.000 0.533 186 I N 0.944 121.026 120.570 -0.812 0.000 2.546 186 I HA -0.176 3.994 4.170 0.000 0.000 0.255 186 I C 2.691 178.619 176.117 -0.315 0.000 1.163 186 I CA 1.015 61.932 61.300 -0.637 0.000 1.457 186 I CB -0.459 37.193 38.000 -0.581 0.000 1.092 186 I HN 0.451 nan 8.210 nan 0.000 0.434 187 A N 0.408 123.091 122.820 -0.228 0.000 1.874 187 A HA -0.064 4.257 4.320 0.000 0.000 0.214 187 A C 2.378 179.888 177.584 -0.124 0.000 1.189 187 A CA 1.123 53.060 52.037 -0.167 0.000 0.615 187 A CB -0.763 18.162 19.000 -0.126 0.000 0.830 187 A HN 0.177 nan 8.150 nan 0.000 0.443 188 V N 0.318 120.180 119.914 -0.086 0.000 2.343 188 V HA -0.261 3.859 4.120 0.000 0.000 0.247 188 V C 2.362 178.438 176.094 -0.030 0.000 1.051 188 V CA 2.236 64.507 62.300 -0.047 0.000 1.036 188 V CB -0.940 30.870 31.823 -0.022 0.000 0.654 188 V HN 0.601 nan 8.190 nan 0.000 0.451 189 E N -0.009 120.171 120.200 -0.033 0.000 2.077 189 E HA -0.162 4.188 4.350 0.000 0.000 0.193 189 E C 2.246 178.826 176.600 -0.034 0.000 0.989 189 E CA 1.207 57.612 56.400 0.008 0.000 0.800 189 E CB -0.132 29.575 29.700 0.012 0.000 0.746 189 E HN 0.508 nan 8.360 nan 0.000 0.452 190 L N 0.207 121.344 121.223 -0.143 0.000 2.109 190 L HA -0.118 4.222 4.340 0.000 0.000 0.207 190 L C 2.461 179.243 176.870 -0.145 0.000 1.086 190 L CA 0.251 54.936 54.840 -0.259 0.000 0.760 190 L CB -0.173 41.588 42.059 -0.497 0.000 0.910 190 L HN 0.185 nan 8.230 nan 0.000 0.437 191 I N 0.385 120.904 120.570 -0.085 0.000 2.394 191 I HA -0.225 3.946 4.170 0.000 0.000 0.251 191 I C 2.219 178.347 176.117 0.019 0.000 1.136 191 I CA 1.337 62.623 61.300 -0.024 0.000 1.425 191 I CB -0.525 37.461 38.000 -0.025 0.000 1.079 191 I HN 0.228 nan 8.210 nan 0.000 0.425 192 N N -0.073 118.653 118.700 0.042 0.000 2.188 192 N HA -0.091 4.649 4.740 0.000 0.000 0.184 192 N C 1.967 177.567 175.510 0.150 0.000 1.018 192 N CA 1.382 54.497 53.050 0.109 0.000 0.858 192 N CB -0.093 38.493 38.487 0.166 0.000 0.989 192 N HN 0.240 nan 8.380 nan 0.000 0.426 193 V N 1.800 121.795 119.914 0.135 0.000 2.358 193 V HA -0.157 3.963 4.120 0.000 0.000 0.246 193 V C 2.335 178.485 176.094 0.093 0.000 1.047 193 V CA 1.023 63.408 62.300 0.142 0.000 1.035 193 V CB -0.293 31.625 31.823 0.158 0.000 0.658 193 V HN 0.190 nan 8.190 nan 0.000 0.452 194 I N -0.542 120.081 120.570 0.088 0.000 2.099 194 I HA -0.260 3.910 4.170 0.000 0.000 0.239 194 I C 2.731 178.880 176.117 0.054 0.000 1.066 194 I CA 1.611 62.975 61.300 0.108 0.000 1.324 194 I CB -0.413 37.663 38.000 0.126 0.000 1.037 194 I HN 0.194 nan 8.210 nan 0.000 0.401 195 K N 0.824 121.248 120.400 0.039 0.000 2.059 195 K HA -0.226 4.094 4.320 0.000 0.000 0.212 195 K C 2.066 178.630 176.600 -0.059 0.000 1.050 195 K CA 1.706 57.999 56.287 0.011 0.000 0.927 195 K CB -0.224 32.284 32.500 0.014 0.000 0.714 195 K HN 0.109 nan 8.250 nan 0.000 0.447 196 R N 0.342 120.782 120.500 -0.100 0.000 2.339 196 R HA 0.096 4.436 4.340 0.000 0.000 0.199 196 R C 1.222 177.197 176.300 -0.541 0.000 1.018 196 R CA 0.264 56.215 56.100 -0.248 0.000 1.036 196 R CB 0.049 30.257 30.300 -0.153 0.000 0.899 196 R HN 0.168 nan 8.270 nan 0.000 0.473 197 L N -1.484 119.540 121.223 -0.331 0.000 3.014 197 L HA 0.311 4.651 4.340 0.000 0.000 0.263 197 L C 0.762 177.558 176.870 -0.123 0.000 1.207 197 L CA 0.283 54.917 54.840 -0.343 0.000 1.017 197 L CB 0.661 42.668 42.059 -0.086 0.000 1.360 197 L HN 0.432 nan 8.230 nan 0.000 0.560 198 G N 0.957 109.671 108.800 -0.143 0.000 2.176 198 G HA2 -0.281 3.679 3.960 0.000 0.000 0.253 198 G HA3 -0.281 3.679 3.960 0.000 0.000 0.253 198 G C 0.117 175.049 174.900 0.053 0.000 0.979 198 G CA -0.216 44.884 45.100 -0.000 0.000 0.641 198 G HN 0.245 nan 8.290 nan 0.000 0.530 199 I N 1.723 122.328 120.570 0.059 0.000 2.395 199 I HA 0.373 4.543 4.170 0.000 0.000 0.289 199 I C 0.476 176.659 176.117 0.111 0.000 1.023 199 I CA -0.588 60.771 61.300 0.098 0.000 1.350 199 I CB 1.225 39.297 38.000 0.119 0.000 1.409 199 I HN 0.174 nan 8.210 nan 0.000 0.507 200 D N 4.649 125.131 120.400 0.137 0.000 2.414 200 D HA 0.252 4.892 4.640 0.000 0.000 0.242 200 D C -0.987 175.462 176.300 0.247 0.000 1.129 200 D CA 0.350 54.449 54.000 0.165 0.000 0.885 200 D CB 0.744 41.644 40.800 0.167 0.000 1.198 200 D HN 0.412 nan 8.370 nan 0.000 0.437 201 S N 1.861 117.705 115.700 0.240 0.000 2.575 201 S HA 0.464 4.934 4.470 0.000 0.000 0.278 201 S C -1.370 173.362 174.600 0.219 0.000 1.139 201 S CA -0.670 57.693 58.200 0.272 0.000 0.954 201 S CB 0.774 64.042 63.200 0.113 0.000 1.054 201 S HN 0.347 nan 8.310 nan 0.000 0.483 202 Y N 1.388 121.771 120.300 0.139 0.000 2.499 202 Y HA 0.703 5.253 4.550 0.000 0.000 0.347 202 Y C -0.268 175.562 175.900 -0.116 0.000 0.987 202 Y CA -1.233 56.851 58.100 -0.027 0.000 1.044 202 Y CB 1.442 39.932 38.460 0.050 0.000 1.245 202 Y HN 0.666 nan 8.280 nan 0.000 0.461 203 I N 2.914 123.369 120.570 -0.191 0.000 2.512 203 I HA 0.508 4.678 4.170 0.000 0.000 0.287 203 I C -1.936 173.984 176.117 -0.329 0.000 1.069 203 I CA -0.688 60.530 61.300 -0.137 0.000 1.056 203 I CB 0.824 38.762 38.000 -0.104 0.000 1.229 203 I HN 0.391 nan 8.210 nan 0.000 0.429 204 F N 6.731 126.591 119.950 -0.150 0.000 2.408 204 F HA 0.755 5.282 4.527 0.000 0.000 0.344 204 F C 0.551 176.264 175.800 -0.144 0.000 1.112 204 F CA -0.374 57.530 58.000 -0.159 0.000 1.096 204 F CB 1.725 40.606 39.000 -0.197 0.000 1.129 204 F HN 0.472 nan 8.300 nan 0.000 0.486 205 A N 3.857 126.680 122.820 0.005 0.000 2.414 205 A HA 0.659 4.979 4.320 0.000 0.000 0.306 205 A C 0.585 178.141 177.584 -0.046 0.000 1.054 205 A CA -0.830 51.179 52.037 -0.047 0.000 0.724 205 A CB 1.403 20.340 19.000 -0.105 0.000 1.267 205 A HN 0.877 nan 8.150 nan 0.000 0.418 206 R N 1.301 121.775 120.500 -0.042 0.000 2.119 206 R HA 0.072 4.412 4.340 0.000 0.000 0.222 206 R C 1.390 177.638 176.300 -0.086 0.000 1.088 206 R CA 1.248 57.340 56.100 -0.013 0.000 0.984 206 R CB 0.138 30.449 30.300 0.018 0.000 0.884 206 R HN 0.778 nan 8.270 nan 0.000 0.447 207 G N 0.467 109.150 108.800 -0.195 0.000 2.695 207 G HA2 -0.053 3.907 3.960 0.000 0.000 0.213 207 G HA3 -0.053 3.907 3.960 0.000 0.000 0.213 207 G C 0.386 174.804 174.900 -0.804 0.000 1.406 207 G CA -0.243 44.656 45.100 -0.336 0.000 1.049 207 G HN 0.236 nan 8.290 nan 0.000 0.573 208 N N -0.577 117.733 118.700 -0.650 0.000 2.395 208 N HA 0.003 4.744 4.740 0.000 0.000 0.175 208 N C 0.742 176.033 175.510 -0.364 0.000 1.029 208 N CA 0.345 52.977 53.050 -0.695 0.000 0.897 208 N CB 0.205 38.552 38.487 -0.232 0.000 0.991 208 N HN 0.710 nan 8.380 nan 0.000 0.441 209 R N 0.258 120.611 120.500 -0.245 0.000 2.680 209 R HA 0.437 4.777 4.340 0.000 0.000 0.269 209 R C 0.010 176.241 176.300 -0.115 0.000 1.026 209 R CA -0.953 55.056 56.100 -0.152 0.000 0.889 209 R CB 1.149 31.390 30.300 -0.097 0.000 1.241 209 R HN 0.057 nan 8.270 nan 0.000 0.463 210 I N -0.189 120.328 120.570 -0.087 0.000 3.246 210 I HA 0.122 4.292 4.170 0.000 0.000 0.280 210 I C 0.404 176.523 176.117 0.004 0.000 1.239 210 I CA -0.550 60.721 61.300 -0.048 0.000 1.336 210 I CB 0.181 38.152 38.000 -0.048 0.000 1.383 210 I HN 0.826 nan 8.210 nan 0.000 0.617 211 L N 1.384 122.643 121.223 0.061 0.000 3.660 211 L HA -0.224 4.116 4.340 0.000 0.000 0.440 211 L C 1.583 178.545 176.870 0.154 0.000 1.262 211 L CA 0.328 55.280 54.840 0.186 0.000 0.837 211 L CB -1.335 40.851 42.059 0.213 0.000 1.689 211 L HN 0.773 nan 8.230 nan 0.000 0.890 212 R N 0.205 120.734 120.500 0.050 0.000 2.261 212 R HA -0.164 4.176 4.340 0.000 0.000 0.236 212 R C 1.706 177.972 176.300 -0.057 0.000 1.141 212 R CA 1.392 57.486 56.100 -0.010 0.000 1.001 212 R CB -0.115 30.167 30.300 -0.030 0.000 0.866 212 R HN 0.548 nan 8.270 nan 0.000 0.468 213 K N -0.552 119.779 120.400 -0.116 0.000 2.379 213 K HA 0.075 4.395 4.320 0.000 0.000 0.194 213 K C -0.128 176.117 176.600 -0.590 0.000 1.031 213 K CA 0.339 56.403 56.287 -0.371 0.000 1.037 213 K CB 0.380 32.566 32.500 -0.523 0.000 0.824 213 K HN -0.021 nan 8.250 nan 0.000 0.516 214 F N 1.317 121.249 119.950 -0.030 0.000 2.483 214 F HA 0.139 4.666 4.527 0.000 0.000 0.329 214 F C 0.777 176.517 175.800 -0.101 0.000 1.064 214 F CA -1.534 56.429 58.000 -0.062 0.000 0.986 214 F CB 0.507 39.482 39.000 -0.043 0.000 1.218 214 F HN -0.111 nan 8.300 nan 0.000 0.484 215 D N 1.952 122.352 120.400 0.001 0.000 2.658 215 D HA -0.148 4.492 4.640 0.000 0.000 0.230 215 D C 0.994 177.281 176.300 -0.022 0.000 1.118 215 D CA 0.537 54.487 54.000 -0.084 0.000 0.848 215 D CB 0.712 41.353 40.800 -0.264 0.000 1.160 215 D HN 0.861 nan 8.370 nan 0.000 0.497 216 E N 2.149 122.332 120.200 -0.028 0.000 2.268 216 E HA -0.141 4.209 4.350 0.000 0.000 0.195 216 E C 1.284 177.841 176.600 -0.072 0.000 0.995 216 E CA 0.723 57.102 56.400 -0.036 0.000 0.836 216 E CB 0.268 29.949 29.700 -0.032 0.000 0.763 216 E HN 0.402 nan 8.360 nan 0.000 0.491 217 S N -0.200 115.448 115.700 -0.087 0.000 2.377 217 S HA -0.072 4.398 4.470 0.000 0.000 0.223 217 S C 1.989 176.389 174.600 -0.333 0.000 1.030 217 S CA 0.751 58.819 58.200 -0.220 0.000 0.970 217 S CB 0.034 63.120 63.200 -0.189 0.000 0.830 217 S HN 0.129 nan 8.310 nan 0.000 0.473 218 V N 2.428 122.267 119.914 -0.125 0.000 2.407 218 V HA -0.135 3.985 4.120 0.000 0.000 0.248 218 V C 2.011 178.063 176.094 -0.071 0.000 1.055 218 V CA 1.278 63.566 62.300 -0.020 0.000 1.049 218 V CB -0.594 31.290 31.823 0.102 0.000 0.662 218 V HN 0.405 nan 8.190 nan 0.000 0.455 219 I N 0.195 120.727 120.570 -0.063 0.000 2.500 219 I HA -0.053 4.117 4.170 0.000 0.000 0.252 219 I C 2.161 178.225 176.117 -0.089 0.000 1.142 219 I CA 0.806 62.072 61.300 -0.056 0.000 1.451 219 I CB -1.651 36.338 38.000 -0.018 0.000 1.093 219 I HN 0.319 nan 8.210 nan 0.000 0.430 220 N N 1.083 119.708 118.700 -0.125 0.000 2.149 220 N HA -0.133 4.607 4.740 0.000 0.000 0.188 220 N C 2.058 177.486 175.510 -0.137 0.000 1.019 220 N CA 1.125 54.096 53.050 -0.130 0.000 0.857 220 N CB -0.401 37.993 38.487 -0.156 0.000 0.997 220 N HN 0.191 nan 8.380 nan 0.000 0.426 221 V N 1.101 120.910 119.914 -0.175 0.000 2.358 221 V HA -0.143 3.977 4.120 0.000 0.000 0.246 221 V C 2.330 178.368 176.094 -0.092 0.000 1.047 221 V CA 0.855 63.067 62.300 -0.147 0.000 1.035 221 V CB -0.580 31.139 31.823 -0.172 0.000 0.658 221 V HN 0.181 nan 8.190 nan 0.000 0.452 222 L N 0.776 121.954 121.223 -0.076 0.000 1.956 222 L HA -0.222 4.118 4.340 0.000 0.000 0.216 222 L C 2.474 179.312 176.870 -0.053 0.000 1.073 222 L CA 2.122 56.932 54.840 -0.051 0.000 0.762 222 L CB -1.025 41.006 42.059 -0.046 0.000 0.889 222 L HN 0.398 nan 8.230 nan 0.000 0.433 223 E N -0.479 119.683 120.200 -0.063 0.000 2.085 223 E HA -0.265 4.085 4.350 0.000 0.000 0.194 223 E C 1.968 178.528 176.600 -0.067 0.000 0.994 223 E CA 1.658 58.018 56.400 -0.066 0.000 0.801 223 E CB -0.389 29.267 29.700 -0.072 0.000 0.743 223 E HN 0.681 nan 8.360 nan 0.000 0.453 224 N N 0.720 119.377 118.700 -0.071 0.000 2.094 224 N HA -0.190 4.550 4.740 0.000 0.000 0.191 224 N C 1.811 177.284 175.510 -0.063 0.000 1.023 224 N CA 1.093 54.102 53.050 -0.068 0.000 0.857 224 N CB -0.054 38.388 38.487 -0.076 0.000 1.013 224 N HN 0.188 nan 8.380 nan 0.000 0.426 225 D N 0.907 121.270 120.400 -0.062 0.000 2.103 225 D HA -0.085 4.555 4.640 0.000 0.000 0.199 225 D C 2.033 178.308 176.300 -0.042 0.000 0.978 225 D CA 0.835 54.801 54.000 -0.057 0.000 0.829 225 D CB 0.175 40.942 40.800 -0.055 0.000 0.981 225 D HN 0.217 nan 8.370 nan 0.000 0.464 226 M N 0.507 120.085 119.600 -0.037 0.000 2.082 226 M HA -0.199 4.281 4.480 0.000 0.000 0.258 226 M C 2.264 178.532 176.300 -0.053 0.000 1.069 226 M CA 1.667 56.945 55.300 -0.037 0.000 1.102 226 M CB -0.126 32.448 32.600 -0.044 0.000 1.336 226 M HN -0.104 nan 8.290 nan 0.000 0.404 227 K N -0.094 120.269 120.400 -0.062 0.000 2.217 227 K HA -0.142 4.178 4.320 0.000 0.000 0.202 227 K C 1.986 178.554 176.600 -0.052 0.000 1.051 227 K CA 0.927 57.173 56.287 -0.067 0.000 0.952 227 K CB -0.168 32.292 32.500 -0.065 0.000 0.736 227 K HN 0.295 nan 8.250 nan 0.000 0.453 228 K N 1.183 121.556 120.400 -0.045 0.000 2.097 228 K HA -0.086 4.234 4.320 0.000 0.000 0.205 228 K C 1.079 177.664 176.600 -0.026 0.000 1.050 228 K CA 1.162 57.427 56.287 -0.037 0.000 0.938 228 K CB 0.124 32.597 32.500 -0.044 0.000 0.718 228 K HN 0.045 nan 8.250 nan 0.000 0.442 229 N N 1.554 120.238 118.700 -0.026 0.000 2.322 229 N HA 0.014 4.754 4.740 0.000 0.000 0.216 229 N C -0.840 174.659 175.510 -0.017 0.000 1.144 229 N CA 0.352 53.395 53.050 -0.012 0.000 0.830 229 N CB 0.061 38.545 38.487 -0.005 0.000 1.034 229 N HN 0.298 nan 8.380 nan 0.000 0.484 230 N N -0.013 118.666 118.700 -0.036 0.000 2.776 230 N HA -0.164 4.576 4.740 0.000 0.000 0.250 230 N C -0.781 174.675 175.510 -0.090 0.000 1.112 230 N CA 0.230 53.248 53.050 -0.054 0.000 0.733 230 N CB -1.209 37.262 38.487 -0.026 0.000 1.097 230 N HN 0.336 nan 8.380 nan 0.000 0.558 231 I N 1.057 121.571 120.570 -0.094 0.000 2.416 231 I HA 0.086 4.256 4.170 0.000 0.000 0.288 231 I C 0.282 176.262 176.117 -0.228 0.000 1.051 231 I CA -0.297 60.923 61.300 -0.133 0.000 1.375 231 I CB 0.517 38.467 38.000 -0.083 0.000 1.407 231 I HN 0.126 nan 8.210 nan 0.000 0.516 232 N N 8.120 126.572 118.700 -0.413 0.000 2.422 232 N HA 0.396 5.136 4.740 0.000 0.000 0.264 232 N C -0.643 174.610 175.510 -0.429 0.000 1.063 232 N CA -0.140 52.590 53.050 -0.533 0.000 0.959 232 N CB 1.642 39.441 38.487 -1.146 0.000 1.087 232 N HN 0.413 nan 8.380 nan 0.000 0.483 233 I N 2.023 122.418 120.570 -0.292 0.000 2.362 233 I HA 0.253 4.423 4.170 0.000 0.000 0.289 233 I C -0.228 175.745 176.117 -0.240 0.000 0.994 233 I CA -0.851 60.294 61.300 -0.259 0.000 1.158 233 I CB 1.682 39.577 38.000 -0.174 0.000 1.315 233 I HN 0.004 nan 8.210 nan 0.000 0.451 234 V N 5.006 124.727 119.914 -0.323 0.000 2.384 234 V HA 0.460 4.580 4.120 0.000 0.000 0.287 234 V C 0.338 176.351 176.094 -0.135 0.000 1.020 234 V CA -0.502 61.655 62.300 -0.238 0.000 0.850 234 V CB 1.667 33.198 31.823 -0.487 0.000 0.987 234 V HN 0.855 nan 8.190 nan 0.000 0.436 235 T N 0.414 114.937 114.554 -0.052 0.000 2.945 235 T HA 0.693 5.043 4.350 0.000 0.000 0.286 235 T C -0.013 174.717 174.700 0.050 0.000 1.025 235 T CA -0.489 61.528 62.100 -0.139 0.000 1.039 235 T CB 0.852 69.541 68.868 -0.299 0.000 1.068 235 T HN 0.580 nan 8.240 nan 0.000 0.497 236 F N -1.105 118.870 119.950 0.041 0.000 3.074 236 F HA -0.107 4.421 4.527 0.000 0.000 0.287 236 F C 0.813 176.660 175.800 0.078 0.000 0.932 236 F CA 0.333 58.364 58.000 0.052 0.000 0.995 236 F CB -2.029 36.999 39.000 0.047 0.000 0.966 236 F HN 0.983 nan 8.300 nan 0.000 0.721 237 A N 0.649 123.581 122.820 0.186 0.000 2.274 237 A HA 0.575 4.895 4.320 0.000 0.000 0.309 237 A C -0.285 177.386 177.584 0.145 0.000 1.226 237 A CA -0.255 51.901 52.037 0.199 0.000 0.853 237 A CB 0.863 20.015 19.000 0.253 0.000 1.146 237 A HN 0.250 nan 8.150 nan 0.000 0.518 238 D N 2.778 123.260 120.400 0.137 0.000 2.454 238 D HA 0.365 5.005 4.640 0.000 0.000 0.247 238 D C -0.595 175.760 176.300 0.091 0.000 1.129 238 D CA -0.283 53.779 54.000 0.103 0.000 0.877 238 D CB 1.166 42.026 40.800 0.100 0.000 1.082 238 D HN 0.213 nan 8.370 nan 0.000 0.537 239 V N 3.946 123.897 119.914 0.062 0.000 2.450 239 V HA 0.068 4.188 4.120 0.000 0.000 0.281 239 V C 1.300 177.448 176.094 0.090 0.000 1.019 239 V CA -0.239 62.091 62.300 0.050 0.000 1.062 239 V CB 0.916 32.742 31.823 0.005 0.000 0.979 239 V HN 0.494 nan 8.190 nan 0.000 0.477 240 V N 3.167 123.135 119.914 0.091 0.000 3.528 240 V HA 0.331 4.451 4.120 0.000 0.000 0.294 240 V C 0.419 176.541 176.094 0.048 0.000 1.404 240 V CA 0.191 62.532 62.300 0.069 0.000 1.065 240 V CB -0.451 31.409 31.823 0.062 0.000 0.904 240 V HN 1.001 nan 8.190 nan 0.000 0.435 241 E N 0.380 120.621 120.200 0.068 0.000 2.381 241 E HA 0.521 4.871 4.350 0.000 0.000 0.286 241 E C -1.949 174.690 176.600 0.064 0.000 0.960 241 E CA -0.645 55.765 56.400 0.017 0.000 0.793 241 E CB 2.146 31.784 29.700 -0.102 0.000 1.225 241 E HN 0.224 nan 8.360 nan 0.000 0.420 242 I N 4.391 124.978 120.570 0.029 0.000 2.437 242 I HA 0.301 4.471 4.170 0.000 0.000 0.279 242 I C -0.196 175.938 176.117 0.028 0.000 1.028 242 I CA -0.447 60.886 61.300 0.055 0.000 1.142 242 I CB 1.202 39.232 38.000 0.051 0.000 1.266 242 I HN 0.263 nan 8.210 nan 0.000 0.461 243 K N 5.194 125.632 120.400 0.063 0.000 2.098 243 K HA 0.433 4.753 4.320 0.000 0.000 0.257 243 K C -0.085 176.540 176.600 0.040 0.000 0.999 243 K CA -0.887 55.417 56.287 0.029 0.000 0.924 243 K CB 1.429 33.954 32.500 0.042 0.000 1.028 243 K HN 0.353 nan 8.250 nan 0.000 0.466 244 K N 2.178 122.586 120.400 0.014 0.000 2.621 244 K HA 0.135 4.455 4.320 0.000 0.000 0.233 244 K C 0.268 176.869 176.600 0.001 0.000 0.972 244 K CA -0.318 55.975 56.287 0.009 0.000 0.988 244 K CB 0.979 33.478 32.500 -0.003 0.000 1.187 244 K HN 0.351 nan 8.250 nan 0.000 0.471 245 V N 1.740 121.655 119.914 0.001 0.000 2.295 245 V HA -0.191 3.929 4.120 0.000 0.000 0.246 245 V C 0.995 177.086 176.094 -0.004 0.000 1.049 245 V CA 1.961 64.257 62.300 -0.006 0.000 1.024 245 V CB -0.545 31.264 31.823 -0.023 0.000 0.648 245 V HN 0.926 nan 8.190 nan 0.000 0.447 246 S N -2.655 113.043 115.700 -0.002 0.000 3.287 246 S HA 0.320 4.790 4.470 0.000 0.000 0.324 246 S C -1.206 173.392 174.600 -0.004 0.000 1.205 246 S CA -0.706 57.494 58.200 -0.001 0.000 1.020 246 S CB 1.492 64.695 63.200 0.005 0.000 1.398 246 S HN 0.194 nan 8.310 nan 0.000 0.679 247 D N 2.059 122.456 120.400 -0.005 0.000 2.339 247 D HA 0.278 4.918 4.640 0.000 0.000 0.241 247 D C -0.536 175.755 176.300 -0.016 0.000 1.183 247 D CA 0.264 54.256 54.000 -0.014 0.000 0.859 247 D CB 0.291 41.084 40.800 -0.012 0.000 1.067 247 D HN 0.532 nan 8.370 nan 0.000 0.484 248 K N 2.337 122.717 120.400 -0.033 0.000 3.218 248 K HA -0.213 4.107 4.320 0.000 0.000 0.276 248 K C -0.285 176.325 176.600 0.018 0.000 1.173 248 K CA 0.249 56.513 56.287 -0.038 0.000 0.812 248 K CB -2.054 30.420 32.500 -0.043 0.000 1.275 248 K HN 0.605 nan 8.250 nan 0.000 0.504 249 N N 0.678 119.391 118.700 0.022 0.000 2.651 249 N HA 0.202 4.942 4.740 0.000 0.000 0.277 249 N C -0.619 174.892 175.510 0.001 0.000 1.787 249 N CA -0.243 52.822 53.050 0.025 0.000 0.818 249 N CB 0.482 38.983 38.487 0.023 0.000 1.316 249 N HN 0.054 nan 8.380 nan 0.000 0.503 250 L N 0.262 121.522 121.223 0.061 0.000 2.416 250 L HA 0.603 4.943 4.340 0.000 0.000 0.262 250 L C 0.172 177.136 176.870 0.156 0.000 1.093 250 L CA -0.508 54.393 54.840 0.101 0.000 0.801 250 L CB 1.599 43.736 42.059 0.130 0.000 1.191 250 L HN 0.071 nan 8.230 nan 0.000 0.459 251 S N 1.081 116.879 115.700 0.164 0.000 2.536 251 S HA 0.633 5.103 4.470 0.000 0.000 0.287 251 S C -0.617 174.116 174.600 0.222 0.000 1.101 251 S CA -0.518 57.794 58.200 0.187 0.000 0.950 251 S CB 1.805 65.085 63.200 0.133 0.000 1.056 251 S HN 0.353 nan 8.310 nan 0.000 0.481 252 I N 3.346 124.012 120.570 0.159 0.000 2.339 252 I HA 0.302 4.472 4.170 0.000 0.000 0.290 252 I C -0.405 175.712 176.117 0.000 0.000 0.994 252 I CA -0.414 60.894 61.300 0.013 0.000 1.191 252 I CB 0.837 38.648 38.000 -0.315 0.000 1.343 252 I HN 0.569 nan 8.210 nan 0.000 0.458 253 H N 7.338 126.418 119.070 0.016 0.000 2.476 253 H HA 0.495 5.051 4.556 0.000 0.000 0.328 253 H C -0.595 174.769 175.328 0.059 0.000 1.073 253 H CA -0.643 55.440 56.048 0.058 0.000 1.229 253 H CB 1.968 31.754 29.762 0.039 0.000 1.432 253 H HN 0.340 nan 8.280 nan 0.000 0.477 254 L N 1.325 122.653 121.223 0.176 0.000 2.358 254 L HA 0.169 4.509 4.340 0.000 0.000 0.268 254 L C 1.597 178.554 176.870 0.147 0.000 1.032 254 L CA -0.586 54.352 54.840 0.162 0.000 0.805 254 L CB 1.545 43.734 42.059 0.217 0.000 1.253 254 L HN 0.590 nan 8.230 nan 0.000 0.452 255 S N -1.204 114.571 115.700 0.126 0.000 2.555 255 S HA -0.113 4.357 4.470 0.000 0.000 0.230 255 S C 0.749 175.405 174.600 0.093 0.000 0.978 255 S CA 0.843 59.104 58.200 0.101 0.000 0.934 255 S CB -0.431 62.820 63.200 0.086 0.000 0.766 255 S HN 0.825 nan 8.310 nan 0.000 0.533 256 D N -1.158 119.307 120.400 0.108 0.000 2.395 256 D HA 0.378 5.018 4.640 0.000 0.000 0.213 256 D C 1.327 177.675 176.300 0.081 0.000 1.110 256 D CA 0.413 54.467 54.000 0.089 0.000 0.835 256 D CB -0.056 40.800 40.800 0.094 0.000 0.965 256 D HN 0.468 nan 8.370 nan 0.000 0.505 257 G N 0.342 109.194 108.800 0.088 0.000 2.307 257 G HA2 -0.265 3.695 3.960 0.000 0.000 0.210 257 G HA3 -0.265 3.695 3.960 0.000 0.000 0.210 257 G C 0.226 175.157 174.900 0.053 0.000 1.005 257 G CA -0.422 44.717 45.100 0.065 0.000 0.634 257 G HN 0.386 nan 8.290 nan 0.000 0.496 258 R N 0.797 121.353 120.500 0.094 0.000 2.489 258 R HA 0.619 4.959 4.340 0.000 0.000 0.287 258 R C 0.316 176.629 176.300 0.021 0.000 1.053 258 R CA 0.468 56.606 56.100 0.063 0.000 1.036 258 R CB 0.588 31.047 30.300 0.266 0.000 0.966 258 R HN 0.393 nan 8.270 nan 0.000 0.432 259 I N 2.450 122.897 120.570 -0.204 0.000 2.646 259 I HA 0.342 4.512 4.170 0.000 0.000 0.299 259 I C -0.873 174.982 176.117 -0.436 0.000 1.036 259 I CA -1.078 60.064 61.300 -0.264 0.000 1.074 259 I CB 1.723 39.532 38.000 -0.318 0.000 1.258 259 I HN 0.502 nan 8.210 nan 0.000 0.430 260 Y N 2.987 123.259 120.300 -0.047 0.000 2.333 260 Y HA 0.352 4.902 4.550 0.000 0.000 0.324 260 Y C -0.060 175.847 175.900 0.012 0.000 1.033 260 Y CA -0.605 57.538 58.100 0.072 0.000 1.224 260 Y CB 1.521 40.197 38.460 0.361 0.000 1.120 260 Y HN 0.508 nan 8.280 nan 0.000 0.457 261 E N 1.620 121.784 120.200 -0.060 0.000 2.302 261 E HA 0.339 4.689 4.350 0.000 0.000 0.255 261 E C -0.593 175.798 176.600 -0.350 0.000 1.099 261 E CA -0.844 55.436 56.400 -0.200 0.000 0.929 261 E CB 0.605 30.113 29.700 -0.319 0.000 1.203 261 E HN 0.615 nan 8.360 nan 0.000 0.459 262 H N -0.410 118.545 119.070 -0.193 0.000 2.750 262 H HA -0.171 4.385 4.556 0.000 0.000 0.327 262 H C -1.168 173.964 175.328 -0.326 0.000 1.199 262 H CA 0.527 56.446 56.048 -0.215 0.000 1.149 262 H CB -2.119 27.528 29.762 -0.192 0.000 1.543 262 H HN 0.311 nan 8.280 nan 0.000 0.427 263 F N 1.156 121.141 119.950 0.058 0.000 2.427 263 F HA 0.164 4.691 4.527 0.000 0.000 0.346 263 F C 1.704 177.533 175.800 0.047 0.000 1.120 263 F CA -0.701 57.341 58.000 0.069 0.000 1.033 263 F CB 1.050 40.083 39.000 0.055 0.000 1.126 263 F HN 0.058 nan 8.300 nan 0.000 0.462 264 D N 1.134 121.678 120.400 0.241 0.000 2.183 264 D HA -0.059 4.581 4.640 0.000 0.000 0.205 264 D C 0.083 176.289 176.300 -0.158 0.000 0.962 264 D CA 1.026 55.049 54.000 0.039 0.000 0.849 264 D CB 0.106 40.946 40.800 0.066 0.000 0.978 264 D HN 0.501 nan 8.370 nan 0.000 0.488 265 H N 0.239 119.425 119.070 0.194 0.000 2.589 265 H HA 0.468 5.024 4.556 0.000 0.000 0.351 265 H C -0.856 174.538 175.328 0.110 0.000 1.074 265 H CA -0.707 55.430 56.048 0.149 0.000 1.203 265 H CB 2.760 32.602 29.762 0.133 0.000 1.558 265 H HN -0.188 nan 8.280 nan 0.000 0.522 266 V N 5.275 125.279 119.914 0.149 0.000 2.398 266 V HA 0.270 4.390 4.120 0.000 0.000 0.286 266 V C 0.271 176.442 176.094 0.128 0.000 1.026 266 V CA -0.468 61.839 62.300 0.012 0.000 0.868 266 V CB 1.465 33.243 31.823 -0.076 0.000 0.982 266 V HN 0.582 nan 8.190 nan 0.000 0.443 267 I N 4.901 125.516 120.570 0.075 0.000 2.404 267 I HA 0.390 4.560 4.170 0.000 0.000 0.293 267 I C -1.110 175.040 176.117 0.056 0.000 0.992 267 I CA -0.639 60.724 61.300 0.105 0.000 1.149 267 I CB 1.606 39.626 38.000 0.034 0.000 1.315 267 I HN 0.493 nan 8.210 nan 0.000 0.446 268 Y N 5.223 125.514 120.300 -0.015 0.000 2.353 268 Y HA 0.244 4.794 4.550 0.000 0.000 0.340 268 Y C 0.117 175.925 175.900 -0.154 0.000 0.972 268 Y CA -0.144 57.907 58.100 -0.082 0.000 1.157 268 Y CB 1.479 39.896 38.460 -0.073 0.000 1.157 268 Y HN 0.484 nan 8.280 nan 0.000 0.495 269 C N 6.295 125.530 119.300 -0.108 0.000 2.503 269 C HA 0.319 4.779 4.460 0.000 0.000 0.356 269 C C 1.359 176.306 174.990 -0.072 0.000 1.168 269 C CA -0.324 58.630 59.018 -0.107 0.000 1.655 269 C CB -1.638 26.018 27.740 -0.141 0.000 1.660 269 C HN 0.944 nan 8.230 nan 0.000 0.484 270 V N 2.662 122.562 119.914 -0.023 0.000 2.346 270 V HA 0.350 4.470 4.120 0.000 0.000 0.244 270 V C 1.538 177.635 176.094 0.006 0.000 1.037 270 V CA 2.161 64.475 62.300 0.023 0.000 1.029 270 V CB -0.033 31.827 31.823 0.062 0.000 0.663 270 V HN 0.940 nan 8.190 nan 0.000 0.454 271 G N -0.912 107.879 108.800 -0.015 0.000 2.343 271 G HA2 0.341 4.301 3.960 0.000 0.000 0.289 271 G HA3 0.341 4.301 3.960 0.000 0.000 0.289 271 G C -1.420 173.486 174.900 0.010 0.000 1.295 271 G CA -0.924 44.187 45.100 0.020 0.000 0.869 271 G HN 0.192 nan 8.290 nan 0.000 0.522 272 R N -0.853 119.678 120.500 0.052 0.000 2.795 272 R HA 0.774 5.114 4.340 0.000 0.000 0.275 272 R C -0.731 175.604 176.300 0.059 0.000 0.981 272 R CA -0.661 55.459 56.100 0.034 0.000 0.917 272 R CB 2.195 32.510 30.300 0.024 0.000 1.202 272 R HN 0.785 nan 8.270 nan 0.000 0.469 273 S N 1.789 117.496 115.700 0.011 0.000 2.500 273 S HA 0.553 5.023 4.470 0.000 0.000 0.301 273 S C -2.669 171.846 174.600 -0.142 0.000 1.092 273 S CA -1.835 56.342 58.200 -0.037 0.000 1.030 273 S CB 1.646 64.873 63.200 0.045 0.000 1.031 273 S HN 0.214 nan 8.310 nan 0.000 0.483 274 P HA 0.057 nan 4.420 nan 0.000 0.263 274 P C -0.772 176.460 177.300 -0.113 0.000 1.175 274 P CA 0.232 63.170 63.100 -0.270 0.000 0.761 274 P CB 0.190 31.662 31.700 -0.380 0.000 0.794 275 D N 2.250 122.607 120.400 -0.072 0.000 2.545 275 D HA 0.054 4.694 4.640 0.000 0.000 0.227 275 D C 0.384 176.674 176.300 -0.016 0.000 1.150 275 D CA 0.588 54.573 54.000 -0.025 0.000 1.046 275 D CB -0.614 40.181 40.800 -0.008 0.000 1.098 275 D HN 0.176 nan 8.370 nan 0.000 0.502 276 T N 0.815 115.359 114.554 -0.017 0.000 2.958 276 T HA -0.048 4.303 4.350 0.000 0.000 0.256 276 T C 1.678 176.382 174.700 0.008 0.000 0.983 276 T CA -0.233 61.864 62.100 -0.006 0.000 0.924 276 T CB 0.281 69.135 68.868 -0.023 0.000 1.136 276 T HN 0.405 nan 8.240 nan 0.000 0.506 277 E N 2.636 122.843 120.200 0.012 0.000 2.095 277 E HA -0.218 4.132 4.350 0.000 0.000 0.212 277 E C 0.931 177.544 176.600 0.020 0.000 1.044 277 E CA 1.210 57.620 56.400 0.018 0.000 0.857 277 E CB -0.253 29.459 29.700 0.021 0.000 0.764 277 E HN 0.242 nan 8.360 nan 0.000 0.462 278 N N 0.073 118.789 118.700 0.027 0.000 2.851 278 N HA 0.170 4.910 4.740 0.000 0.000 0.248 278 N C -0.495 175.046 175.510 0.051 0.000 1.221 278 N CA -0.097 52.973 53.050 0.033 0.000 0.847 278 N CB 0.992 39.498 38.487 0.031 0.000 1.150 278 N HN 0.139 nan 8.380 nan 0.000 0.507 279 L N 1.694 122.954 121.223 0.061 0.000 2.766 279 L HA 0.196 4.536 4.340 0.000 0.000 0.242 279 L C 0.473 177.429 176.870 0.143 0.000 1.136 279 L CA -0.128 54.783 54.840 0.118 0.000 0.933 279 L CB 0.126 42.257 42.059 0.120 0.000 1.241 279 L HN 0.348 nan 8.230 nan 0.000 0.522 280 K N 0.402 120.848 120.400 0.078 0.000 3.150 280 K HA -0.212 4.108 4.320 0.000 0.000 0.267 280 K C 0.364 176.983 176.600 0.031 0.000 1.028 280 K CA 0.463 56.790 56.287 0.066 0.000 0.753 280 K CB -1.575 30.983 32.500 0.097 0.000 1.288 280 K HN 0.343 nan 8.250 nan 0.000 0.473 281 L N -0.217 120.985 121.223 -0.035 0.000 2.221 281 L HA -0.003 4.337 4.340 0.000 0.000 0.202 281 L C 1.978 178.784 176.870 -0.106 0.000 1.074 281 L CA 0.806 55.560 54.840 -0.142 0.000 0.795 281 L CB -0.174 41.789 42.059 -0.161 0.000 0.960 281 L HN 0.396 nan 8.230 nan 0.000 0.458 282 E N 0.696 120.861 120.200 -0.058 0.000 2.065 282 E HA -0.316 4.034 4.350 0.000 0.000 0.201 282 E C 1.414 177.987 176.600 -0.044 0.000 1.016 282 E CA 1.304 57.677 56.400 -0.045 0.000 0.818 282 E CB -0.249 29.436 29.700 -0.024 0.000 0.749 282 E HN 0.211 nan 8.360 nan 0.000 0.453 283 K N 0.770 121.151 120.400 -0.031 0.000 3.414 283 K HA -0.018 4.302 4.320 0.000 0.000 0.297 283 K C 0.260 176.838 176.600 -0.037 0.000 0.885 283 K CA 0.216 56.489 56.287 -0.023 0.000 1.051 283 K CB -0.252 32.245 32.500 -0.004 0.000 1.158 283 K HN 0.159 nan 8.250 nan 0.000 0.365 284 L N -0.035 121.152 121.223 -0.061 0.000 3.888 284 L HA 0.032 4.372 4.340 0.000 0.000 0.369 284 L C -0.373 176.450 176.870 -0.079 0.000 1.200 284 L CA -0.288 54.503 54.840 -0.081 0.000 1.268 284 L CB 0.385 42.357 42.059 -0.145 0.000 1.573 284 L HN 0.335 nan 8.230 nan 0.000 0.632 285 N N 0.078 118.739 118.700 -0.064 0.000 2.693 285 N HA -0.158 4.582 4.740 0.000 0.000 0.249 285 N C 0.021 175.490 175.510 -0.069 0.000 1.119 285 N CA 0.516 53.533 53.050 -0.056 0.000 0.717 285 N CB -1.883 36.577 38.487 -0.044 0.000 1.071 285 N HN 0.099 nan 8.380 nan 0.000 0.555 286 V N 1.011 120.870 119.914 -0.093 0.000 2.530 286 V HA 0.034 4.154 4.120 0.000 0.000 0.282 286 V C 1.033 177.084 176.094 -0.071 0.000 1.048 286 V CA -0.217 62.022 62.300 -0.102 0.000 0.997 286 V CB 1.307 33.036 31.823 -0.156 0.000 0.987 286 V HN 0.097 nan 8.190 nan 0.000 0.477 287 E N 2.531 122.698 120.200 -0.055 0.000 2.392 287 E HA 0.336 4.686 4.350 0.000 0.000 0.259 287 E C -0.291 176.297 176.600 -0.020 0.000 1.108 287 E CA 0.015 56.394 56.400 -0.035 0.000 0.916 287 E CB 1.171 30.852 29.700 -0.030 0.000 0.989 287 E HN 0.614 nan 8.360 nan 0.000 0.432 288 T N 2.148 116.697 114.554 -0.007 0.000 3.143 288 T HA 0.113 4.463 4.350 0.000 0.000 0.312 288 T C 0.716 175.427 174.700 0.019 0.000 0.986 288 T CA -0.627 61.483 62.100 0.017 0.000 1.024 288 T CB 0.911 69.786 68.868 0.012 0.000 1.030 288 T HN 0.341 nan 8.240 nan 0.000 0.448 289 N N 3.252 121.971 118.700 0.032 0.000 2.131 289 N HA 0.059 4.799 4.740 0.000 0.000 0.190 289 N C 0.077 175.594 175.510 0.013 0.000 1.055 289 N CA 0.934 53.983 53.050 -0.002 0.000 0.853 289 N CB 0.343 38.800 38.487 -0.049 0.000 1.035 289 N HN 0.587 nan 8.380 nan 0.000 0.440 290 N N 1.040 119.773 118.700 0.055 0.000 2.703 290 N HA 0.159 4.899 4.740 0.000 0.000 0.283 290 N C -0.666 174.988 175.510 0.239 0.000 1.851 290 N CA -0.274 52.831 53.050 0.093 0.000 0.826 290 N CB 0.969 39.479 38.487 0.038 0.000 1.239 290 N HN 0.204 nan 8.380 nan 0.000 0.495 291 N N -0.041 118.764 118.700 0.174 0.000 2.921 291 N HA -0.195 4.545 4.740 0.000 0.000 0.205 291 N C -0.581 175.024 175.510 0.159 0.000 0.945 291 N CA 1.117 54.251 53.050 0.141 0.000 1.048 291 N CB -1.074 37.468 38.487 0.091 0.000 0.981 291 N HN 0.516 nan 8.380 nan 0.000 0.590 292 Y N 1.738 122.037 120.300 -0.001 0.000 2.442 292 Y HA 0.299 4.849 4.550 0.000 0.000 0.330 292 Y C 1.460 177.354 175.900 -0.009 0.000 1.129 292 Y CA -0.605 57.495 58.100 -0.000 0.000 1.365 292 Y CB 0.454 38.913 38.460 -0.001 0.000 1.233 292 Y HN -0.026 nan 8.280 nan 0.000 0.529 293 I N 4.354 124.990 120.570 0.110 0.000 2.436 293 I HA 0.048 4.218 4.170 0.000 0.000 0.289 293 I C -0.213 175.941 176.117 0.062 0.000 1.083 293 I CA -0.324 61.009 61.300 0.054 0.000 1.372 293 I CB 0.206 38.219 38.000 0.021 0.000 1.408 293 I HN 0.305 nan 8.210 nan 0.000 0.516 294 V N 7.769 127.704 119.914 0.034 0.000 2.686 294 V HA 0.368 4.488 4.120 0.000 0.000 0.295 294 V C 0.385 176.484 176.094 0.009 0.000 1.055 294 V CA -0.081 62.230 62.300 0.017 0.000 1.050 294 V CB 1.421 33.242 31.823 -0.004 0.000 0.984 294 V HN 0.654 nan 8.190 nan 0.000 0.482 295 V N 1.167 121.090 119.914 0.014 0.000 3.230 295 V HA 0.805 4.925 4.120 0.000 0.000 0.302 295 V C -1.376 174.735 176.094 0.029 0.000 1.421 295 V CA -0.996 61.318 62.300 0.023 0.000 1.065 295 V CB 2.170 34.027 31.823 0.057 0.000 1.097 295 V HN 0.782 nan 8.190 nan 0.000 0.460 296 D N -1.418 119.012 120.400 0.050 0.000 2.506 296 D HA 0.438 5.078 4.640 0.000 0.000 0.254 296 D C 0.702 177.061 176.300 0.099 0.000 1.089 296 D CA -0.279 53.756 54.000 0.059 0.000 1.050 296 D CB 0.880 41.709 40.800 0.048 0.000 1.221 296 D HN 0.684 nan 8.370 nan 0.000 0.589 297 E N -0.881 119.382 120.200 0.105 0.000 2.279 297 E HA -0.233 4.118 4.350 0.000 0.000 0.205 297 E C 0.833 177.515 176.600 0.136 0.000 1.028 297 E CA 1.357 57.839 56.400 0.136 0.000 0.830 297 E CB -0.175 29.588 29.700 0.105 0.000 0.736 297 E HN 0.363 nan 8.360 nan 0.000 0.478 298 N N -0.306 118.468 118.700 0.123 0.000 2.236 298 N HA -0.016 4.724 4.740 0.000 0.000 0.196 298 N C -0.321 175.303 175.510 0.190 0.000 1.114 298 N CA 0.217 53.347 53.050 0.135 0.000 0.859 298 N CB 0.889 39.453 38.487 0.129 0.000 0.982 298 N HN 0.071 nan 8.380 nan 0.000 0.493 299 Q N -0.444 119.467 119.800 0.185 0.000 2.493 299 Q HA -0.180 4.160 4.340 0.000 0.000 0.260 299 Q C 0.006 176.162 176.000 0.260 0.000 0.873 299 Q CA 0.623 56.554 55.803 0.212 0.000 1.150 299 Q CB -1.860 27.007 28.738 0.216 0.000 1.393 299 Q HN 0.524 nan 8.270 nan 0.000 0.607 300 R N 0.900 121.496 120.500 0.159 0.000 2.410 300 R HA 0.434 4.774 4.340 0.000 0.000 0.288 300 R C 0.101 176.324 176.300 -0.128 0.000 1.051 300 R CA 0.133 56.174 56.100 -0.098 0.000 1.021 300 R CB 0.872 31.113 30.300 -0.097 0.000 1.032 300 R HN -0.002 nan 8.270 nan 0.000 0.481 301 T N 1.024 115.440 114.554 -0.230 0.000 2.801 301 T HA -0.003 4.347 4.350 0.000 0.000 0.324 301 T C 1.476 176.103 174.700 -0.122 0.000 1.088 301 T CA 0.038 62.053 62.100 -0.142 0.000 0.975 301 T CB 0.661 69.437 68.868 -0.154 0.000 1.316 301 T HN 0.803 nan 8.240 nan 0.000 0.533 302 S N -0.672 114.969 115.700 -0.097 0.000 2.387 302 S HA 0.007 4.477 4.470 0.000 0.000 0.226 302 S C 0.837 175.380 174.600 -0.093 0.000 1.026 302 S CA 0.222 58.375 58.200 -0.079 0.000 0.972 302 S CB -0.262 62.898 63.200 -0.066 0.000 0.814 302 S HN 0.376 nan 8.310 nan 0.000 0.477 303 V N 3.545 123.389 119.914 -0.116 0.000 2.432 303 V HA 0.363 4.483 4.120 0.000 0.000 0.275 303 V C 0.347 176.338 176.094 -0.171 0.000 1.043 303 V CA -0.820 61.410 62.300 -0.117 0.000 0.925 303 V CB 0.944 32.700 31.823 -0.111 0.000 0.985 303 V HN 0.330 nan 8.190 nan 0.000 0.466 304 N N 4.044 122.654 118.700 -0.150 0.000 2.364 304 N HA 0.176 4.916 4.740 0.000 0.000 0.264 304 N C 1.188 176.592 175.510 -0.177 0.000 1.263 304 N CA 0.757 53.679 53.050 -0.213 0.000 0.959 304 N CB 0.325 38.743 38.487 -0.116 0.000 1.204 304 N HN 0.919 nan 8.380 nan 0.000 0.550 305 N N -0.956 117.650 118.700 -0.157 0.000 2.319 305 N HA -0.259 4.481 4.740 0.000 0.000 0.215 305 N C -1.006 174.522 175.510 0.030 0.000 1.091 305 N CA 1.025 54.098 53.050 0.038 0.000 2.762 305 N CB -1.333 37.184 38.487 0.050 0.000 0.823 305 N HN 0.469 nan 8.380 nan 0.000 0.453 306 I N 2.043 122.500 120.570 -0.188 0.000 2.315 306 I HA 0.366 4.536 4.170 0.000 0.000 0.291 306 I C -0.515 175.434 176.117 -0.279 0.000 1.006 306 I CA -0.609 60.645 61.300 -0.076 0.000 1.265 306 I CB 0.681 38.656 38.000 -0.042 0.000 1.387 306 I HN 0.110 nan 8.210 nan 0.000 0.475 307 Y N 4.334 124.672 120.300 0.063 0.000 2.630 307 Y HA 0.815 5.365 4.550 0.000 0.000 0.337 307 Y C 0.107 176.042 175.900 0.058 0.000 1.051 307 Y CA -1.246 56.884 58.100 0.050 0.000 1.121 307 Y CB 1.792 40.280 38.460 0.046 0.000 1.299 307 Y HN 0.518 nan 8.280 nan 0.000 0.498 308 A N 0.951 123.909 122.820 0.231 0.000 2.456 308 A HA 0.724 5.044 4.320 0.000 0.000 0.288 308 A C -1.329 176.338 177.584 0.138 0.000 1.042 308 A CA -0.511 51.615 52.037 0.148 0.000 0.738 308 A CB 0.468 19.525 19.000 0.094 0.000 1.266 308 A HN 0.911 nan 8.150 nan 0.000 0.407 309 V N -0.302 119.683 119.914 0.119 0.000 3.164 309 V HA 1.048 5.168 4.120 0.000 0.000 0.313 309 V C 0.497 176.645 176.094 0.089 0.000 1.188 309 V CA -0.397 61.973 62.300 0.116 0.000 1.058 309 V CB 0.891 32.778 31.823 0.107 0.000 1.110 309 V HN 2.870 nan 8.190 nan 0.000 0.453 310 G N 1.447 110.303 108.800 0.093 0.000 2.690 310 G HA2 -0.064 3.896 3.960 0.000 0.000 0.686 310 G HA3 -0.064 3.896 3.960 0.000 0.000 0.686 310 G C -0.252 174.691 174.900 0.071 0.000 1.277 310 G CA 0.281 45.423 45.100 0.069 0.000 0.799 310 G HN 1.875 nan 8.290 nan 0.000 0.613 311 D N -1.107 119.330 120.400 0.062 0.000 2.389 311 D HA -0.111 4.529 4.640 0.000 0.000 0.221 311 D C 2.344 178.630 176.300 -0.024 0.000 0.974 311 D CA 1.738 55.776 54.000 0.063 0.000 0.923 311 D CB -0.594 40.254 40.800 0.080 0.000 0.892 311 D HN 1.263 nan 8.370 nan 0.000 0.518 312 C N 0.123 119.389 119.300 -0.057 0.000 2.449 312 C HA 0.162 4.623 4.460 0.000 0.000 0.283 312 C C 1.391 176.324 174.990 -0.095 0.000 1.453 312 C CA -0.404 58.531 59.018 -0.139 0.000 1.779 312 C CB -1.834 25.868 27.740 -0.063 0.000 1.779 312 C HN 0.580 nan 8.230 nan 0.000 0.546 313 C N -0.713 118.602 119.300 0.025 0.000 2.564 313 C HA 0.815 5.275 4.460 0.000 0.000 0.381 313 C C -0.437 174.666 174.990 0.189 0.000 1.297 313 C CA -0.885 58.192 59.018 0.099 0.000 1.846 313 C CB 1.049 28.840 27.740 0.084 0.000 2.198 313 C HN 0.637 nan 8.230 nan 0.000 0.507 314 M N 1.925 121.612 119.600 0.146 0.000 2.267 314 M HA 0.550 5.030 4.480 0.000 0.000 0.289 314 M C -1.483 174.817 176.300 -0.001 0.000 1.043 314 M CA -0.284 55.069 55.300 0.087 0.000 0.928 314 M CB 1.827 34.468 32.600 0.069 0.000 1.613 314 M HN 0.747 nan 8.290 nan 0.000 0.450 315 V N 3.759 123.623 119.914 -0.083 0.000 2.465 315 V HA 0.962 5.082 4.120 0.000 0.000 0.279 315 V C 0.215 176.272 176.094 -0.062 0.000 1.045 315 V CA -0.161 62.070 62.300 -0.116 0.000 0.938 315 V CB 0.684 32.265 31.823 -0.404 0.000 0.986 315 V HN 0.960 nan 8.190 nan 0.000 0.467 348 Y N 2.233 122.421 120.300 -0.186 0.000 2.376 348 Y HA 0.517 5.067 4.550 0.000 0.000 0.325 348 Y C 1.141 176.940 175.900 -0.169 0.000 1.199 348 Y CA 0.473 58.463 58.100 -0.184 0.000 1.206 348 Y CB 2.048 40.326 38.460 -0.304 0.000 1.229 348 Y HN 0.878 nan 8.280 nan 0.000 0.480 349 N N -0.376 118.384 118.700 0.100 0.000 2.660 349 N HA 0.135 4.875 4.740 0.000 0.000 0.231 349 N C -1.042 174.559 175.510 0.152 0.000 1.022 349 N CA 0.396 53.523 53.050 0.128 0.000 1.178 349 N CB 0.429 39.019 38.487 0.171 0.000 1.536 349 N HN 0.326 nan 8.380 nan 0.000 0.582 350 V N 2.083 122.096 119.914 0.165 0.000 4.394 350 V HA -0.172 3.948 4.120 0.000 0.000 0.413 350 V C -1.262 174.924 176.094 0.153 0.000 0.674 350 V CA 0.412 62.812 62.300 0.166 0.000 1.706 350 V CB -1.634 30.313 31.823 0.207 0.000 2.080 350 V HN 0.513 nan 8.190 nan 0.000 0.482 351 Q N 4.167 124.051 119.800 0.139 0.000 2.566 351 Q HA 0.714 5.054 4.340 0.000 0.000 0.221 351 Q C -0.341 175.724 176.000 0.108 0.000 1.195 351 Q CA 0.050 55.931 55.803 0.130 0.000 0.967 351 Q CB 1.165 29.991 28.738 0.147 0.000 1.337 351 Q HN 0.717 nan 8.270 nan 0.000 0.553 352 L N 0.378 121.652 121.223 0.085 0.000 2.445 352 L HA 0.306 4.646 4.340 0.000 0.000 0.262 352 L C 0.961 177.862 176.870 0.051 0.000 0.974 352 L CA -0.471 54.404 54.840 0.058 0.000 0.822 352 L CB 2.303 44.378 42.059 0.026 0.000 1.339 352 L HN 0.394 nan 8.230 nan 0.000 0.409 353 T N 1.486 116.068 114.554 0.047 0.000 2.684 353 T HA -0.067 4.283 4.350 0.000 0.000 0.267 353 T C -1.170 173.543 174.700 0.022 0.000 1.036 353 T CA 1.750 63.871 62.100 0.035 0.000 1.148 353 T CB -0.451 68.438 68.868 0.035 0.000 0.863 353 T HN 0.469 nan 8.240 nan 0.000 0.436 354 P HA 0.054 nan 4.420 nan 0.000 0.221 354 P C 1.545 178.834 177.300 -0.018 0.000 1.150 354 P CA 0.394 63.493 63.100 -0.001 0.000 0.800 354 P CB -0.112 31.585 31.700 -0.005 0.000 0.787 355 V N 0.493 120.400 119.914 -0.011 0.000 2.283 355 V HA -0.197 3.923 4.120 0.000 0.000 0.243 355 V C 2.486 178.577 176.094 -0.005 0.000 1.039 355 V CA 2.233 64.513 62.300 -0.034 0.000 1.016 355 V CB -1.580 30.244 31.823 0.001 0.000 0.650 355 V HN 0.079 nan 8.190 nan 0.000 0.449 356 A N -0.490 122.352 122.820 0.037 0.000 2.024 356 A HA -0.188 4.132 4.320 0.000 0.000 0.220 356 A C 2.138 179.734 177.584 0.021 0.000 1.164 356 A CA 1.805 53.869 52.037 0.045 0.000 0.643 356 A CB -0.565 18.464 19.000 0.049 0.000 0.806 356 A HN 0.544 nan 8.150 nan 0.000 0.451 357 I N -0.272 120.303 120.570 0.008 0.000 2.202 357 I HA -0.242 3.928 4.170 0.000 0.000 0.242 357 I C 2.572 178.686 176.117 -0.006 0.000 1.091 357 I CA 1.298 62.599 61.300 0.003 0.000 1.368 357 I CB -0.417 37.584 38.000 0.003 0.000 1.058 357 I HN 0.465 nan 8.210 nan 0.000 0.410 358 N N 1.783 120.467 118.700 -0.027 0.000 1.997 358 N HA -0.253 4.487 4.740 0.000 0.000 0.198 358 N C 1.933 177.424 175.510 -0.032 0.000 1.063 358 N CA 2.352 55.374 53.050 -0.047 0.000 0.860 358 N CB -0.421 38.005 38.487 -0.102 0.000 1.063 358 N HN 0.303 nan 8.380 nan 0.000 0.424 359 A N 0.141 122.940 122.820 -0.035 0.000 1.887 359 A HA -0.249 4.071 4.320 0.000 0.000 0.225 359 A C 2.431 180.032 177.584 0.028 0.000 1.464 359 A CA 3.213 55.259 52.037 0.013 0.000 0.717 359 A CB -1.835 17.210 19.000 0.075 0.000 0.848 359 A HN 0.607 nan 8.150 nan 0.000 0.477 360 G N -1.617 107.203 108.800 0.033 0.000 2.440 360 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 360 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 360 G C 1.744 176.664 174.900 0.034 0.000 1.154 360 G CA 1.401 46.522 45.100 0.034 0.000 0.767 360 G HN 0.572 nan 8.290 nan 0.000 0.552 361 R N -1.047 119.469 120.500 0.028 0.000 2.073 361 R HA 0.124 4.464 4.340 0.000 0.000 0.229 361 R C 2.437 178.769 176.300 0.053 0.000 1.120 361 R CA 0.574 56.697 56.100 0.039 0.000 0.967 361 R CB -0.382 29.931 30.300 0.022 0.000 0.862 361 R HN 0.296 nan 8.270 nan 0.000 0.436 362 L N -0.025 121.215 121.223 0.027 0.000 2.109 362 L HA -0.070 4.270 4.340 0.000 0.000 0.207 362 L C 1.809 178.687 176.870 0.013 0.000 1.086 362 L CA 1.265 56.117 54.840 0.020 0.000 0.760 362 L CB -0.662 41.396 42.059 -0.003 0.000 0.910 362 L HN 0.178 nan 8.230 nan 0.000 0.437 363 L N -0.198 121.026 121.223 0.001 0.000 1.970 363 L HA -0.202 4.138 4.340 0.000 0.000 0.212 363 L C 2.611 179.447 176.870 -0.057 0.000 1.071 363 L CA 2.151 56.957 54.840 -0.056 0.000 0.751 363 L CB -1.187 40.824 42.059 -0.080 0.000 0.889 363 L HN 0.281 nan 8.230 nan 0.000 0.432 364 A N -0.844 122.003 122.820 0.045 0.000 2.001 364 A HA -0.364 3.956 4.320 0.000 0.000 0.224 364 A C 1.980 179.696 177.584 0.220 0.000 1.203 364 A CA 2.408 54.578 52.037 0.221 0.000 0.667 364 A CB -1.040 18.132 19.000 0.286 0.000 0.823 364 A HN 0.595 nan 8.150 nan 0.000 0.473 365 D N -1.185 119.275 120.400 0.099 0.000 2.077 365 D HA -0.147 4.493 4.640 0.000 0.000 0.196 365 D C 2.086 178.323 176.300 -0.104 0.000 0.986 365 D CA 1.572 55.561 54.000 -0.018 0.000 0.829 365 D CB -0.431 40.373 40.800 0.007 0.000 0.983 365 D HN 0.614 nan 8.370 nan 0.000 0.453 366 R N 0.436 120.873 120.500 -0.106 0.000 2.139 366 R HA -0.085 4.255 4.340 0.000 0.000 0.243 366 R C 2.232 178.387 176.300 -0.242 0.000 1.145 366 R CA 0.882 56.901 56.100 -0.136 0.000 0.976 366 R CB -0.313 29.921 30.300 -0.109 0.000 0.866 366 R HN 0.202 nan 8.270 nan 0.000 0.449 367 L N -0.819 120.179 121.223 -0.375 0.000 2.179 367 L HA -0.009 4.331 4.340 0.000 0.000 0.208 367 L C 1.187 177.434 176.870 -1.039 0.000 1.096 367 L CA 1.045 55.409 54.840 -0.793 0.000 0.779 367 L CB 0.062 41.486 42.059 -1.057 0.000 0.922 367 L HN 0.243 nan 8.230 nan 0.000 0.443 368 F N -2.561 117.326 119.950 -0.104 0.000 2.640 368 F HA 0.163 4.690 4.527 0.000 0.000 0.285 368 F C 1.332 177.008 175.800 -0.207 0.000 1.031 368 F CA -0.283 57.644 58.000 -0.121 0.000 1.240 368 F CB 0.387 39.366 39.000 -0.034 0.000 1.011 368 F HN -0.231 nan 8.300 nan 0.000 0.656 369 L N -0.619 120.493 121.223 -0.186 0.000 2.638 369 L HA 0.408 4.748 4.340 0.000 0.000 0.205 369 L C 0.016 176.817 176.870 -0.114 0.000 1.696 369 L CA -0.716 54.021 54.840 -0.172 0.000 3.037 369 L CB -0.043 41.860 42.059 -0.261 0.000 2.844 369 L HN -0.296 nan 8.230 nan 0.000 0.836 370 K N 0.660 121.002 120.400 -0.096 0.000 2.259 370 K HA 0.183 4.503 4.320 0.000 0.000 0.249 370 K C 0.618 177.185 176.600 -0.055 0.000 0.942 370 K CA -0.543 55.705 56.287 -0.066 0.000 0.816 370 K CB 2.159 34.634 32.500 -0.043 0.000 1.155 370 K HN 0.287 nan 8.250 nan 0.000 0.428 371 K N 0.741 121.112 120.400 -0.048 0.000 2.107 371 K HA -0.268 4.052 4.320 0.000 0.000 0.211 371 K C 1.465 178.054 176.600 -0.018 0.000 1.049 371 K CA 2.448 58.715 56.287 -0.034 0.000 0.927 371 K CB -0.844 31.642 32.500 -0.023 0.000 0.714 371 K HN 0.792 nan 8.250 nan 0.000 0.452 372 T N 1.485 116.029 114.554 -0.015 0.000 2.481 372 T HA -0.290 4.060 4.350 0.000 0.000 0.229 372 T C 0.568 175.265 174.700 -0.005 0.000 1.382 372 T CA 2.493 64.588 62.100 -0.008 0.000 1.082 372 T CB -0.539 68.324 68.868 -0.009 0.000 0.821 372 T HN 0.650 nan 8.240 nan 0.000 0.457 373 R N 2.782 123.277 120.500 -0.007 0.000 2.404 373 R HA 0.358 4.698 4.340 0.000 0.000 0.315 373 R C 0.051 176.348 176.300 -0.005 0.000 1.032 373 R CA -0.061 56.035 56.100 -0.007 0.000 0.992 373 R CB 0.137 30.434 30.300 -0.006 0.000 0.959 373 R HN 0.630 nan 8.270 nan 0.000 0.428 374 K N 0.332 120.729 120.400 -0.005 0.000 2.259 374 K HA 0.341 4.661 4.320 0.000 0.000 0.249 374 K C -0.714 175.866 176.600 -0.032 0.000 0.942 374 K CA -0.883 55.405 56.287 0.001 0.000 0.816 374 K CB 1.657 34.174 32.500 0.028 0.000 1.155 374 K HN 0.110 nan 8.250 nan 0.000 0.428 375 T N 2.099 116.619 114.554 -0.056 0.000 2.817 375 T HA -0.001 4.349 4.350 0.000 0.000 0.295 375 T C -0.340 174.202 174.700 -0.264 0.000 0.958 375 T CA 0.081 62.060 62.100 -0.202 0.000 1.157 375 T CB -0.350 68.327 68.868 -0.318 0.000 0.898 375 T HN 0.645 nan 8.240 nan 0.000 0.536 376 N N 2.759 121.295 118.700 -0.273 0.000 2.437 376 N HA 0.163 4.904 4.740 0.000 0.000 0.243 376 N C 0.164 175.446 175.510 -0.380 0.000 1.041 376 N CA -0.473 52.443 53.050 -0.223 0.000 0.940 376 N CB 0.364 38.778 38.487 -0.122 0.000 1.133 376 N HN 0.587 nan 8.380 nan 0.000 0.506 377 Y N 2.015 122.127 120.300 -0.314 0.000 2.529 377 Y HA 0.116 4.666 4.550 0.000 0.000 0.290 377 Y C 0.280 175.899 175.900 -0.470 0.000 1.177 377 Y CA 0.168 57.938 58.100 -0.550 0.000 1.305 377 Y CB 0.265 38.012 38.460 -1.189 0.000 1.047 377 Y HN 0.320 nan 8.280 nan 0.000 0.522 378 K N 0.978 121.296 120.400 -0.137 0.000 2.201 378 K HA 0.368 4.688 4.320 0.000 0.000 0.278 378 K C -0.934 175.660 176.600 -0.010 0.000 1.027 378 K CA -0.678 55.605 56.287 -0.006 0.000 0.909 378 K CB 1.082 33.621 32.500 0.066 0.000 1.062 378 K HN -0.025 nan 8.250 nan 0.000 0.465 379 L N 3.910 125.145 121.223 0.021 0.000 2.586 379 L HA -0.155 4.186 4.340 0.000 0.000 0.690 379 L C -1.644 175.222 176.870 -0.006 0.000 1.053 379 L CA 0.697 55.545 54.840 0.014 0.000 1.383 379 L CB -0.681 41.381 42.059 0.005 0.000 2.057 379 L HN 0.729 nan 8.230 nan 0.000 0.951 380 I N 5.693 126.270 120.570 0.011 0.000 2.390 380 I HA 0.364 4.534 4.170 0.000 0.000 0.283 380 I C -1.838 174.285 176.117 0.010 0.000 1.016 380 I CA -1.665 59.635 61.300 -0.001 0.000 1.151 380 I CB 1.575 39.581 38.000 0.010 0.000 1.293 380 I HN 0.349 nan 8.210 nan 0.000 0.458 381 P HA 0.256 nan 4.420 nan 0.000 0.275 381 P C -0.772 176.518 177.300 -0.017 0.000 1.227 381 P CA -0.006 63.089 63.100 -0.008 0.000 0.781 381 P CB 0.793 32.482 31.700 -0.019 0.000 0.906 382 T N 0.394 114.935 114.554 -0.022 0.000 2.906 382 T HA 0.536 4.886 4.350 0.000 0.000 0.295 382 T C -0.809 173.806 174.700 -0.141 0.000 1.061 382 T CA -0.612 61.447 62.100 -0.068 0.000 1.000 382 T CB 1.460 70.315 68.868 -0.022 0.000 1.103 382 T HN 0.037 nan 8.240 nan 0.000 0.486 383 V N 2.552 122.331 119.914 -0.225 0.000 2.447 383 V HA 0.400 4.520 4.120 0.000 0.000 0.292 383 V C -0.435 175.418 176.094 -0.401 0.000 1.021 383 V CA -0.796 61.278 62.300 -0.376 0.000 0.850 383 V CB 1.328 32.822 31.823 -0.549 0.000 1.005 383 V HN 0.797 nan 8.190 nan 0.000 0.426 384 I N 5.337 125.682 120.570 -0.375 0.000 2.363 384 I HA 0.228 4.398 4.170 0.000 0.000 0.292 384 I C -0.044 175.907 176.117 -0.277 0.000 1.075 384 I CA 0.003 61.158 61.300 -0.241 0.000 1.333 384 I CB 0.389 38.216 38.000 -0.289 0.000 1.415 384 I HN 0.494 nan 8.210 nan 0.000 0.502 385 F N 5.361 125.198 119.950 -0.187 0.000 2.668 385 F HA 0.045 4.572 4.527 0.000 0.000 0.365 385 F C 1.476 177.163 175.800 -0.188 0.000 1.165 385 F CA -0.184 57.580 58.000 -0.394 0.000 1.344 385 F CB -0.416 38.215 39.000 -0.616 0.000 1.658 385 F HN 0.477 nan 8.300 nan 0.000 0.620 386 S N -1.138 114.565 115.700 0.005 0.000 2.671 386 S HA 0.385 4.855 4.470 0.000 0.000 0.272 386 S C -0.537 174.095 174.600 0.053 0.000 1.174 386 S CA -0.639 57.587 58.200 0.042 0.000 1.004 386 S CB 0.708 63.910 63.200 0.002 0.000 1.077 386 S HN 0.459 nan 8.310 nan 0.000 0.553 387 H N 0.866 120.034 119.070 0.163 0.000 2.762 387 H HA 0.483 5.039 4.556 0.000 0.000 0.310 387 H C -2.609 172.747 175.328 0.048 0.000 1.004 387 H CA -1.611 54.511 56.048 0.123 0.000 1.267 387 H CB 1.335 31.133 29.762 0.059 0.000 1.437 387 H HN 0.467 nan 8.280 nan 0.000 0.498 388 P HA 0.107 nan 4.420 nan 0.000 0.274 388 P C -2.603 174.762 177.300 0.108 0.000 1.256 388 P CA -1.495 61.715 63.100 0.184 0.000 0.795 388 P CB 0.529 32.292 31.700 0.105 0.000 1.038 389 P HA 0.314 nan 4.420 nan 0.000 0.276 389 P C -0.659 176.595 177.300 -0.078 0.000 1.252 389 P CA 0.185 63.263 63.100 -0.036 0.000 0.802 389 P CB 0.500 32.158 31.700 -0.070 0.000 1.035 390 I N 0.273 120.740 120.570 -0.171 0.000 2.499 390 I HA 0.459 4.629 4.170 0.000 0.000 0.288 390 I C 0.286 176.299 176.117 -0.173 0.000 1.048 390 I CA -0.566 60.653 61.300 -0.136 0.000 1.062 390 I CB 2.209 40.095 38.000 -0.189 0.000 1.238 390 I HN 0.315 nan 8.210 nan 0.000 0.426 391 G N 2.717 111.472 108.800 -0.074 0.000 2.368 391 G HA2 0.571 4.531 3.960 0.000 0.000 0.320 391 G HA3 0.571 4.531 3.960 0.000 0.000 0.320 391 G C -0.826 174.078 174.900 0.006 0.000 1.158 391 G CA -0.306 44.756 45.100 -0.064 0.000 0.912 391 G HN 0.455 nan 8.290 nan 0.000 0.456 392 T N 2.015 116.572 114.554 0.004 0.000 3.109 392 T HA 0.590 4.940 4.350 0.000 0.000 0.311 392 T C -0.855 173.871 174.700 0.043 0.000 1.011 392 T CA -0.441 61.727 62.100 0.112 0.000 1.026 392 T CB 0.517 69.614 68.868 0.381 0.000 1.047 392 T HN 0.408 nan 8.240 nan 0.000 0.448 393 I N 3.929 124.432 120.570 -0.112 0.000 2.608 393 I HA 0.751 4.921 4.170 0.000 0.000 0.295 393 I C 1.002 177.072 176.117 -0.079 0.000 1.049 393 I CA -0.462 60.799 61.300 -0.066 0.000 1.063 393 I CB 1.882 39.834 38.000 -0.080 0.000 1.248 393 I HN 1.029 nan 8.210 nan 0.000 0.424 394 G N 4.785 113.605 108.800 0.033 0.000 2.645 394 G HA2 -0.155 3.805 3.960 0.000 0.000 0.239 394 G HA3 -0.155 3.805 3.960 0.000 0.000 0.239 394 G C -0.584 174.418 174.900 0.171 0.000 1.331 394 G CA -0.963 44.180 45.100 0.070 0.000 0.890 394 G HN 0.470 nan 8.290 nan 0.000 0.572 395 L N 1.126 122.454 121.223 0.175 0.000 2.397 395 L HA 0.457 4.797 4.340 0.000 0.000 0.271 395 L C 1.785 178.833 176.870 0.296 0.000 1.148 395 L CA 0.652 55.614 54.840 0.203 0.000 0.825 395 L CB 0.790 42.959 42.059 0.184 0.000 1.117 395 L HN 1.185 nan 8.230 nan 0.000 0.456 396 S N 1.438 117.232 115.700 0.157 0.000 2.608 396 S HA 0.037 4.507 4.470 0.000 0.000 0.261 396 S C 1.053 175.700 174.600 0.079 0.000 1.314 396 S CA -0.080 58.140 58.200 0.033 0.000 0.992 396 S CB 0.867 64.036 63.200 -0.051 0.000 0.935 396 S HN 0.720 nan 8.310 nan 0.000 0.564 397 E N 0.490 120.721 120.200 0.051 0.000 2.150 397 E HA -0.240 4.110 4.350 0.000 0.000 0.193 397 E C 1.857 178.488 176.600 0.052 0.000 0.985 397 E CA 1.491 57.929 56.400 0.065 0.000 0.814 397 E CB -0.246 29.487 29.700 0.054 0.000 0.752 397 E HN 0.907 nan 8.360 nan 0.000 0.466 398 E N 0.215 120.432 120.200 0.028 0.000 2.086 398 E HA -0.079 4.271 4.350 0.000 0.000 0.190 398 E C 2.093 178.708 176.600 0.025 0.000 0.975 398 E CA 0.773 57.185 56.400 0.020 0.000 0.813 398 E CB -0.279 29.423 29.700 0.002 0.000 0.768 398 E HN 0.245 nan 8.360 nan 0.000 0.457 399 A N 1.905 124.738 122.820 0.023 0.000 1.940 399 A HA -0.123 4.197 4.320 0.000 0.000 0.219 399 A C 2.519 180.137 177.584 0.057 0.000 1.176 399 A CA 2.051 54.101 52.037 0.021 0.000 0.631 399 A CB -0.900 18.112 19.000 0.020 0.000 0.814 399 A HN 0.466 nan 8.150 nan 0.000 0.446 400 A N 0.414 123.309 122.820 0.124 0.000 1.865 400 A HA -0.145 4.175 4.320 0.000 0.000 0.217 400 A C 2.012 179.733 177.584 0.229 0.000 1.191 400 A CA 1.652 53.841 52.037 0.252 0.000 0.623 400 A CB -0.731 18.398 19.000 0.215 0.000 0.826 400 A HN 0.568 nan 8.150 nan 0.000 0.444 401 I N -0.730 119.915 120.570 0.126 0.000 2.916 401 I HA -0.197 3.973 4.170 0.000 0.000 0.267 401 I C 2.259 178.396 176.117 0.033 0.000 1.263 401 I CA 0.816 62.167 61.300 0.084 0.000 1.471 401 I CB -0.489 37.543 38.000 0.052 0.000 1.089 401 I HN 0.394 nan 8.210 nan 0.000 0.468 402 Q N 0.476 120.278 119.800 0.002 0.000 2.398 402 Q HA 0.105 4.445 4.340 0.000 0.000 0.204 402 Q C 2.179 178.125 176.000 -0.089 0.000 0.932 402 Q CA 0.942 56.724 55.803 -0.035 0.000 0.916 402 Q CB 0.670 29.385 28.738 -0.038 0.000 1.024 402 Q HN 0.592 nan 8.270 nan 0.000 0.504 403 I N -1.474 119.003 120.570 -0.155 0.000 2.685 403 I HA -0.148 4.022 4.170 0.000 0.000 0.251 403 I C 0.979 176.859 176.117 -0.394 0.000 1.102 403 I CA 0.633 61.703 61.300 -0.383 0.000 1.442 403 I CB 0.177 37.750 38.000 -0.712 0.000 1.194 403 I HN 0.052 nan 8.210 nan 0.000 0.448 404 Y N 1.002 121.305 120.300 0.004 0.000 2.449 404 Y HA 0.518 5.068 4.550 0.000 0.000 0.254 404 Y C 1.067 176.968 175.900 0.001 0.000 1.140 404 Y CA -0.089 58.014 58.100 0.004 0.000 1.272 404 Y CB -0.133 38.330 38.460 0.006 0.000 1.114 404 Y HN 0.116 nan 8.280 nan 0.000 0.525 405 G N 1.764 110.638 108.800 0.124 0.000 2.862 405 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 405 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 405 G C 0.596 175.540 174.900 0.073 0.000 1.134 405 G CA -0.258 44.886 45.100 0.074 0.000 0.791 405 G HN 0.385 nan 8.290 nan 0.000 0.592 406 K N 0.791 121.218 120.400 0.045 0.000 2.218 406 K HA -0.146 4.174 4.320 0.000 0.000 0.205 406 K C 1.624 178.236 176.600 0.020 0.000 1.046 406 K CA 1.913 58.218 56.287 0.030 0.000 0.933 406 K CB 0.091 32.602 32.500 0.018 0.000 0.728 406 K HN 0.695 nan 8.250 nan 0.000 0.454 407 E N 0.870 121.083 120.200 0.022 0.000 2.338 407 E HA -0.103 4.247 4.350 0.000 0.000 0.197 407 E C 0.671 177.277 176.600 0.011 0.000 1.007 407 E CA 0.969 57.377 56.400 0.013 0.000 0.849 407 E CB -0.115 29.593 29.700 0.014 0.000 0.774 407 E HN 0.530 nan 8.360 nan 0.000 0.506 408 N N -0.482 118.232 118.700 0.024 0.000 2.205 408 N HA 0.046 4.786 4.740 0.000 0.000 0.201 408 N C -0.830 174.671 175.510 -0.015 0.000 1.128 408 N CA 0.028 53.084 53.050 0.010 0.000 0.867 408 N CB 1.343 39.852 38.487 0.036 0.000 0.996 408 N HN -0.165 nan 8.380 nan 0.000 0.503 409 V N 1.292 121.205 119.914 -0.002 0.000 2.347 409 V HA 0.326 4.446 4.120 0.000 0.000 0.280 409 V C -0.093 175.977 176.094 -0.040 0.000 1.021 409 V CA -0.742 61.549 62.300 -0.016 0.000 0.847 409 V CB 1.213 33.049 31.823 0.022 0.000 0.990 409 V HN 0.006 nan 8.190 nan 0.000 0.444 410 K N 4.727 125.088 120.400 -0.066 0.000 2.156 410 K HA 0.758 5.078 4.320 0.000 0.000 0.254 410 K C -1.344 175.174 176.600 -0.138 0.000 0.950 410 K CA -0.387 55.823 56.287 -0.128 0.000 0.849 410 K CB 1.571 33.972 32.500 -0.166 0.000 1.100 410 K HN 0.471 nan 8.250 nan 0.000 0.434 411 I N 3.452 123.895 120.570 -0.211 0.000 2.646 411 I HA 0.393 4.563 4.170 0.000 0.000 0.299 411 I C -1.345 174.594 176.117 -0.296 0.000 1.036 411 I CA -0.454 60.766 61.300 -0.134 0.000 1.074 411 I CB 1.608 39.582 38.000 -0.043 0.000 1.258 411 I HN 0.563 nan 8.210 nan 0.000 0.430 412 Y N 3.869 124.169 120.300 -0.001 0.000 2.391 412 Y HA 0.611 5.161 4.550 0.000 0.000 0.341 412 Y C -0.290 175.597 175.900 -0.022 0.000 0.965 412 Y CA -0.724 57.371 58.100 -0.009 0.000 1.067 412 Y CB 1.830 40.278 38.460 -0.019 0.000 1.199 412 Y HN 0.536 nan 8.280 nan 0.000 0.450 413 E N 0.525 120.786 120.200 0.102 0.000 2.429 413 E HA 0.811 5.161 4.350 0.000 0.000 0.276 413 E C -1.596 174.965 176.600 -0.064 0.000 0.953 413 E CA -1.162 55.203 56.400 -0.058 0.000 0.787 413 E CB 2.527 32.227 29.700 0.000 0.000 1.307 413 E HN 0.357 nan 8.360 nan 0.000 0.458 414 S N -0.078 115.491 115.700 -0.219 0.000 2.564 414 S HA 0.533 5.003 4.470 0.000 0.000 0.274 414 S C -1.719 172.885 174.600 0.007 0.000 1.124 414 S CA -0.881 57.301 58.200 -0.029 0.000 0.869 414 S CB 1.477 64.704 63.200 0.045 0.000 1.105 414 S HN 0.530 nan 8.310 nan 0.000 0.472 415 K N 2.867 123.359 120.400 0.154 0.000 2.471 415 K HA 0.679 4.999 4.320 0.000 0.000 0.252 415 K C -1.343 175.364 176.600 0.179 0.000 0.938 415 K CA -0.627 55.734 56.287 0.123 0.000 0.796 415 K CB 0.730 33.327 32.500 0.161 0.000 1.161 415 K HN 0.558 nan 8.250 nan 0.000 0.425 416 F N -1.137 118.833 119.950 0.034 0.000 2.831 416 F HA 0.529 5.056 4.527 0.000 0.000 0.318 416 F C -1.351 174.479 175.800 0.050 0.000 1.174 416 F CA -1.022 56.997 58.000 0.032 0.000 0.918 416 F CB 1.357 40.369 39.000 0.021 0.000 1.364 416 F HN 0.169 nan 8.300 nan 0.000 0.475 417 T N 2.020 116.758 114.554 0.308 0.000 2.770 417 T HA 0.262 4.612 4.350 0.000 0.000 0.283 417 T C -0.460 174.496 174.700 0.427 0.000 0.988 417 T CA -0.619 61.626 62.100 0.242 0.000 0.957 417 T CB 0.702 69.681 68.868 0.185 0.000 0.930 417 T HN 0.725 nan 8.240 nan 0.000 0.443 418 N N 2.137 121.102 118.700 0.441 0.000 2.395 418 N HA -0.024 4.717 4.740 0.000 0.000 0.246 418 N C 1.036 176.715 175.510 0.282 0.000 1.246 418 N CA -0.278 53.018 53.050 0.409 0.000 0.879 418 N CB 0.657 39.340 38.487 0.326 0.000 1.098 418 N HN 0.452 nan 8.380 nan 0.000 0.444 419 L N 4.227 125.566 121.223 0.192 0.000 2.191 419 L HA -0.063 4.277 4.340 0.000 0.000 0.212 419 L C 1.868 178.769 176.870 0.052 0.000 1.103 419 L CA 1.280 56.190 54.840 0.115 0.000 0.769 419 L CB -0.862 41.245 42.059 0.080 0.000 0.908 419 L HN 0.655 nan 8.230 nan 0.000 0.438 420 F N -0.640 119.198 119.950 -0.187 0.000 2.236 420 F HA -0.274 4.253 4.527 0.000 0.000 0.302 420 F C 1.532 177.046 175.800 -0.476 0.000 1.073 420 F CA 1.593 59.388 58.000 -0.341 0.000 1.336 420 F CB -0.212 38.370 39.000 -0.697 0.000 1.040 420 F HN 0.121 nan 8.300 nan 0.000 0.507 421 F N -0.852 119.102 119.950 0.007 0.000 2.693 421 F HA 0.070 4.597 4.527 0.000 0.000 0.303 421 F C 2.353 178.071 175.800 -0.137 0.000 1.097 421 F CA 0.320 58.130 58.000 -0.316 0.000 1.330 421 F CB -0.689 38.092 39.000 -0.365 0.000 1.067 421 F HN -0.028 nan 8.300 nan 0.000 0.565 422 S N 0.426 116.139 115.700 0.021 0.000 2.370 422 S HA -0.183 4.287 4.470 0.000 0.000 0.226 422 S C 1.970 176.557 174.600 -0.022 0.000 1.033 422 S CA 1.573 59.783 58.200 0.016 0.000 1.011 422 S CB -1.130 62.071 63.200 0.003 0.000 0.852 422 S HN 0.301 nan 8.310 nan 0.000 0.457 423 V N -3.359 116.497 119.914 -0.097 0.000 3.406 423 V HA 0.310 4.430 4.120 0.000 0.000 0.263 423 V C 0.565 176.595 176.094 -0.107 0.000 1.172 423 V CA -0.613 61.594 62.300 -0.154 0.000 1.140 423 V CB -1.740 29.860 31.823 -0.372 0.000 0.784 423 V HN 0.346 nan 8.190 nan 0.000 0.467 424 Y N 2.343 122.468 120.300 -0.291 0.000 2.881 424 Y HA 0.133 4.683 4.550 0.000 0.000 0.335 424 Y C 1.039 176.593 175.900 -0.577 0.000 1.263 424 Y CA 0.304 58.092 58.100 -0.521 0.000 1.572 424 Y CB -0.306 38.077 38.460 -0.129 0.000 1.237 424 Y HN 0.249 nan 8.280 nan 0.000 0.568 425 D N 4.681 124.573 120.400 -0.847 0.000 2.934 425 D HA 0.178 4.818 4.640 0.000 0.000 0.237 425 D C -0.562 175.633 176.300 -0.175 0.000 1.158 425 D CA 0.255 54.060 54.000 -0.326 0.000 0.971 425 D CB -0.717 39.977 40.800 -0.177 0.000 1.123 425 D HN 0.472 nan 8.370 nan 0.000 0.467 426 I N -0.034 120.469 120.570 -0.112 0.000 2.969 426 I HA 0.222 4.392 4.170 0.000 0.000 0.307 426 I C -0.295 175.811 176.117 -0.018 0.000 1.149 426 I CA -1.151 60.125 61.300 -0.041 0.000 1.008 426 I CB 2.275 40.270 38.000 -0.009 0.000 1.232 426 I HN -0.067 nan 8.210 nan 0.000 0.435 427 E N 6.384 126.578 120.200 -0.009 0.000 2.480 427 E HA 0.016 4.366 4.350 0.000 0.000 0.258 427 E C -1.859 174.738 176.600 -0.005 0.000 0.984 427 E CA -1.018 55.379 56.400 -0.006 0.000 0.930 427 E CB 1.008 30.706 29.700 -0.004 0.000 0.936 427 E HN 0.274 nan 8.360 nan 0.000 0.466 428 P HA -0.254 nan 4.420 nan 0.000 0.219 428 P C 0.478 177.774 177.300 -0.007 0.000 1.161 428 P CA 1.335 64.438 63.100 0.005 0.000 0.909 428 P CB 0.181 31.890 31.700 0.014 0.000 0.793 429 E N -1.581 118.615 120.200 -0.008 0.000 2.463 429 E HA -0.081 4.270 4.350 0.000 0.000 0.201 429 E C 1.234 177.815 176.600 -0.032 0.000 1.045 429 E CA 0.654 57.044 56.400 -0.016 0.000 0.872 429 E CB -0.453 29.241 29.700 -0.010 0.000 0.797 429 E HN 0.230 nan 8.360 nan 0.000 0.538 430 L N -0.105 121.098 121.223 -0.034 0.000 2.693 430 L HA 0.148 4.488 4.340 0.000 0.000 0.235 430 L C 0.385 177.210 176.870 -0.075 0.000 1.127 430 L CA 0.307 55.122 54.840 -0.042 0.000 0.914 430 L CB -0.021 42.026 42.059 -0.020 0.000 1.193 430 L HN -0.176 nan 8.230 nan 0.000 0.502 431 K N 1.114 121.455 120.400 -0.098 0.000 2.218 431 K HA 0.113 4.433 4.320 0.000 0.000 0.276 431 K C 0.391 176.803 176.600 -0.313 0.000 1.022 431 K CA -0.367 55.797 56.287 -0.205 0.000 0.946 431 K CB 1.000 33.407 32.500 -0.155 0.000 1.000 431 K HN 0.028 nan 8.250 nan 0.000 0.468 432 E N 2.680 122.552 120.200 -0.547 0.000 2.708 432 E HA -0.169 4.181 4.350 0.000 0.000 0.260 432 E C -0.763 175.593 176.600 -0.407 0.000 0.937 432 E CA 0.749 56.818 56.400 -0.552 0.000 0.953 432 E CB 0.532 29.683 29.700 -0.915 0.000 0.915 432 E HN 0.258 nan 8.360 nan 0.000 0.487 433 K N 1.842 122.098 120.400 -0.240 0.000 2.210 433 K HA 0.445 4.765 4.320 0.000 0.000 0.236 433 K C -1.096 175.385 176.600 -0.199 0.000 1.016 433 K CA -0.567 55.607 56.287 -0.189 0.000 0.913 433 K CB 1.917 34.333 32.500 -0.140 0.000 1.141 433 K HN 0.454 nan 8.250 nan 0.000 0.462 434 T N 0.993 115.341 114.554 -0.343 0.000 2.928 434 T HA 0.308 4.658 4.350 0.000 0.000 0.296 434 T C -1.839 172.575 174.700 -0.476 0.000 1.000 434 T CA -0.622 61.188 62.100 -0.483 0.000 0.989 434 T CB 0.582 68.912 68.868 -0.895 0.000 1.005 434 T HN 0.457 nan 8.240 nan 0.000 0.442 435 Y N 4.749 124.844 120.300 -0.342 0.000 2.406 435 Y HA 0.733 5.283 4.550 0.000 0.000 0.340 435 Y C -1.655 174.167 175.900 -0.130 0.000 0.975 435 Y CA -1.256 56.720 58.100 -0.207 0.000 1.056 435 Y CB 0.975 39.363 38.460 -0.121 0.000 1.210 435 Y HN 0.687 nan 8.280 nan 0.000 0.448 436 L N 3.225 123.909 121.223 -0.897 0.000 2.350 436 L HA 0.771 5.111 4.340 0.000 0.000 0.260 436 L C -1.592 174.834 176.870 -0.741 0.000 1.015 436 L CA -1.323 53.105 54.840 -0.686 0.000 0.821 436 L CB 2.483 44.150 42.059 -0.652 0.000 1.370 436 L HN 0.656 nan 8.230 nan 0.000 0.416 437 K N 1.716 121.992 120.400 -0.208 0.000 2.535 437 K HA 0.618 4.938 4.320 0.000 0.000 0.250 437 K C -1.941 174.771 176.600 0.186 0.000 0.948 437 K CA -0.457 55.838 56.287 0.013 0.000 0.796 437 K CB 2.306 34.912 32.500 0.176 0.000 1.216 437 K HN 0.694 nan 8.250 nan 0.000 0.432 438 L N 4.678 126.005 121.223 0.173 0.000 2.287 438 L HA 0.484 4.824 4.340 0.000 0.000 0.287 438 L C -0.844 176.109 176.870 0.137 0.000 1.022 438 L CA -1.151 53.766 54.840 0.129 0.000 0.814 438 L CB 1.854 43.961 42.059 0.079 0.000 1.217 438 L HN 0.370 nan 8.230 nan 0.000 0.420 439 V N 2.926 122.892 119.914 0.086 0.000 2.347 439 V HA 0.325 4.446 4.120 0.000 0.000 0.280 439 V C -0.359 175.743 176.094 0.014 0.000 1.021 439 V CA -0.475 61.870 62.300 0.074 0.000 0.847 439 V CB 1.425 33.319 31.823 0.118 0.000 0.990 439 V HN 0.801 nan 8.190 nan 0.000 0.444 440 C N 5.051 124.353 119.300 0.004 0.000 2.369 440 C HA 0.688 5.148 4.460 0.000 0.000 0.322 440 C C 0.108 175.042 174.990 -0.093 0.000 1.258 440 C CA -0.885 58.111 59.018 -0.037 0.000 1.487 440 C CB 1.212 28.974 27.740 0.037 0.000 2.165 440 C HN 0.601 nan 8.230 nan 0.000 0.483 441 V N 4.170 123.976 119.914 -0.180 0.000 2.334 441 V HA 0.870 4.990 4.120 0.000 0.000 0.281 441 V C 0.740 176.699 176.094 -0.226 0.000 1.016 441 V CA 1.287 63.410 62.300 -0.294 0.000 0.832 441 V CB 0.586 31.985 31.823 -0.707 0.000 0.999 441 V HN 1.375 nan 8.190 nan 0.000 0.439 442 G N 5.194 113.911 108.800 -0.139 0.000 2.254 442 G HA2 -0.093 3.867 3.960 0.000 0.000 0.193 442 G HA3 -0.093 3.867 3.960 0.000 0.000 0.193 442 G C 0.165 175.038 174.900 -0.045 0.000 1.233 442 G CA 0.308 45.355 45.100 -0.087 0.000 1.290 442 G HN 0.648 nan 8.290 nan 0.000 0.517 443 K N -0.589 119.791 120.400 -0.033 0.000 2.485 443 K HA 0.285 4.605 4.320 0.000 0.000 0.200 443 K C 0.641 177.236 176.600 -0.009 0.000 1.352 443 K CA 1.151 57.428 56.287 -0.016 0.000 0.953 443 K CB 0.598 33.093 32.500 -0.009 0.000 1.387 443 K HN 0.312 nan 8.250 nan 0.000 0.512 444 D N 1.477 121.869 120.400 -0.013 0.000 2.388 444 D HA 0.081 4.721 4.640 0.000 0.000 0.221 444 D C -1.140 175.151 176.300 -0.015 0.000 1.133 444 D CA -0.070 53.925 54.000 -0.007 0.000 0.831 444 D CB 0.607 41.405 40.800 -0.005 0.000 0.962 444 D HN 0.153 nan 8.370 nan 0.000 0.502 445 E N 0.834 121.020 120.200 -0.023 0.000 2.484 445 E HA -0.170 4.180 4.350 0.000 0.000 0.181 445 E C -0.547 176.013 176.600 -0.067 0.000 1.458 445 E CA -0.067 56.315 56.400 -0.031 0.000 0.667 445 E CB -1.044 28.667 29.700 0.018 0.000 1.125 445 E HN 0.477 nan 8.360 nan 0.000 0.384 446 L N 2.432 123.606 121.223 -0.082 0.000 2.456 446 L HA 0.121 4.461 4.340 0.000 0.000 0.272 446 L C 0.817 177.615 176.870 -0.120 0.000 1.189 446 L CA -0.311 54.474 54.840 -0.093 0.000 0.846 446 L CB 0.316 42.317 42.059 -0.096 0.000 1.111 446 L HN 0.295 nan 8.230 nan 0.000 0.475 447 I N 4.498 124.989 120.570 -0.131 0.000 2.308 447 I HA 0.104 4.274 4.170 0.000 0.000 0.293 447 I C 0.971 177.034 176.117 -0.089 0.000 1.078 447 I CA 0.061 61.270 61.300 -0.152 0.000 1.292 447 I CB 0.645 38.495 38.000 -0.249 0.000 1.423 447 I HN 0.524 nan 8.210 nan 0.000 0.493 448 K N 3.772 124.129 120.400 -0.072 0.000 2.379 448 K HA 0.285 4.605 4.320 0.000 0.000 0.194 448 K C 0.768 177.385 176.600 0.029 0.000 1.031 448 K CA 0.128 56.406 56.287 -0.015 0.000 1.037 448 K CB 0.935 33.424 32.500 -0.017 0.000 0.824 448 K HN 0.734 nan 8.250 nan 0.000 0.516 449 G N 0.461 109.266 108.800 0.007 0.000 2.706 449 G HA2 0.606 4.566 3.960 0.000 0.000 0.297 449 G HA3 0.606 4.566 3.960 0.000 0.000 0.297 449 G C -1.911 172.879 174.900 -0.185 0.000 1.403 449 G CA -0.512 44.590 45.100 0.004 0.000 0.954 449 G HN 0.067 nan 8.290 nan 0.000 0.500 450 L N 1.801 122.668 121.223 -0.594 0.000 2.516 450 L HA 0.655 4.995 4.340 0.000 0.000 0.267 450 L C -1.360 175.034 176.870 -0.794 0.000 0.957 450 L CA -0.726 53.808 54.840 -0.509 0.000 0.860 450 L CB 1.708 43.545 42.059 -0.370 0.000 1.265 450 L HN 0.701 nan 8.230 nan 0.000 0.403 451 H N 5.573 124.704 119.070 0.101 0.000 2.961 451 H HA 0.660 5.216 4.556 0.000 0.000 0.371 451 H C -1.324 174.103 175.328 0.165 0.000 1.190 451 H CA -0.671 55.451 56.048 0.123 0.000 1.138 451 H CB 3.148 32.989 29.762 0.132 0.000 1.816 451 H HN 0.679 nan 8.280 nan 0.000 0.551 452 I N 1.725 122.438 120.570 0.238 0.000 2.882 452 I HA 0.446 4.616 4.170 0.000 0.000 0.298 452 I C -1.809 174.369 176.117 0.101 0.000 1.462 452 I CA -0.961 60.428 61.300 0.149 0.000 1.000 452 I CB 2.915 41.008 38.000 0.154 0.000 1.340 452 I HN 0.637 nan 8.210 nan 0.000 0.462 453 I N 6.195 126.809 120.570 0.073 0.000 2.499 453 I HA 0.942 5.112 4.170 0.000 0.000 0.288 453 I C -0.528 175.594 176.117 0.009 0.000 1.048 453 I CA 0.210 61.534 61.300 0.040 0.000 1.062 453 I CB 1.585 39.618 38.000 0.054 0.000 1.238 453 I HN 0.887 nan 8.210 nan 0.000 0.426 454 G N 5.385 114.198 108.800 0.022 0.000 2.324 454 G HA2 0.229 4.189 3.960 0.000 0.000 0.293 454 G HA3 0.229 4.189 3.960 0.000 0.000 0.293 454 G C -1.826 173.129 174.900 0.091 0.000 1.297 454 G CA -1.106 44.015 45.100 0.035 0.000 0.853 454 G HN 0.736 nan 8.290 nan 0.000 0.535 455 L N 1.282 122.579 121.223 0.122 0.000 2.660 455 L HA 0.267 4.607 4.340 0.000 0.000 0.272 455 L C 1.102 178.031 176.870 0.097 0.000 1.194 455 L CA 1.789 56.700 54.840 0.119 0.000 0.945 455 L CB -1.361 40.763 42.059 0.109 0.000 1.212 455 L HN 0.833 nan 8.230 nan 0.000 0.490 456 N N 1.514 120.279 118.700 0.108 0.000 2.850 456 N HA -0.247 4.493 4.740 0.000 0.000 0.249 456 N C 1.075 176.635 175.510 0.083 0.000 1.060 456 N CA 0.606 53.716 53.050 0.099 0.000 0.825 456 N CB -1.043 37.494 38.487 0.082 0.000 1.132 456 N HN 0.783 nan 8.380 nan 0.000 0.564 457 A N 1.121 123.980 122.820 0.065 0.000 2.019 457 A HA -0.215 4.105 4.320 0.000 0.000 0.219 457 A C 1.966 179.537 177.584 -0.020 0.000 1.164 457 A CA 1.861 53.926 52.037 0.046 0.000 0.644 457 A CB -0.288 18.729 19.000 0.029 0.000 0.805 457 A HN 0.626 nan 8.150 nan 0.000 0.449 458 D N -0.297 120.044 120.400 -0.099 0.000 2.218 458 D HA -0.177 4.463 4.640 0.000 0.000 0.204 458 D C 1.078 177.337 176.300 -0.068 0.000 0.976 458 D CA 1.228 55.096 54.000 -0.222 0.000 0.853 458 D CB -0.307 40.265 40.800 -0.380 0.000 0.939 458 D HN 0.444 nan 8.370 nan 0.000 0.481 459 E N -0.246 119.964 120.200 0.017 0.000 2.460 459 E HA 0.187 4.537 4.350 0.000 0.000 0.200 459 E C 2.211 178.849 176.600 0.062 0.000 1.011 459 E CA -0.143 56.282 56.400 0.042 0.000 0.912 459 E CB 0.514 30.248 29.700 0.058 0.000 0.953 459 E HN 0.433 nan 8.360 nan 0.000 0.494 460 I N 0.849 121.483 120.570 0.106 0.000 2.852 460 I HA -0.137 4.033 4.170 0.000 0.000 0.264 460 I C 2.274 178.546 176.117 0.258 0.000 1.179 460 I CA 0.340 61.760 61.300 0.200 0.000 1.480 460 I CB 0.087 38.259 38.000 0.286 0.000 1.111 460 I HN -0.064 nan 8.210 nan 0.000 0.441 461 V N -1.784 118.229 119.914 0.164 0.000 2.407 461 V HA -0.196 3.924 4.120 0.000 0.000 0.245 461 V C 2.405 178.555 176.094 0.093 0.000 1.041 461 V CA 1.128 63.526 62.300 0.162 0.000 1.040 461 V CB -1.057 30.799 31.823 0.054 0.000 0.671 461 V HN 0.272 nan 8.190 nan 0.000 0.455 462 Q N 2.127 121.941 119.800 0.023 0.000 2.165 462 Q HA -0.224 4.116 4.340 0.000 0.000 0.215 462 Q C 2.113 178.088 176.000 -0.042 0.000 1.010 462 Q CA 2.955 58.750 55.803 -0.014 0.000 0.896 462 Q CB -1.402 27.322 28.738 -0.024 0.000 0.956 462 Q HN 0.702 nan 8.270 nan 0.000 0.413 463 G N -1.773 106.969 108.800 -0.097 0.000 2.402 463 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 463 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 463 G C 1.137 175.865 174.900 -0.286 0.000 1.162 463 G CA 0.631 45.592 45.100 -0.230 0.000 0.777 463 G HN 0.426 nan 8.290 nan 0.000 0.539 464 F N 1.601 121.455 119.950 -0.159 0.000 2.365 464 F HA 0.100 4.627 4.527 0.000 0.000 0.300 464 F C 2.905 178.637 175.800 -0.114 0.000 1.090 464 F CA 0.601 58.483 58.000 -0.197 0.000 1.408 464 F CB 0.134 38.978 39.000 -0.259 0.000 1.060 464 F HN 0.236 nan 8.300 nan 0.000 0.534 465 A N -0.233 122.621 122.820 0.056 0.000 1.968 465 A HA -0.076 4.244 4.320 0.000 0.000 0.217 465 A C 2.235 179.817 177.584 -0.004 0.000 1.169 465 A CA 1.375 53.426 52.037 0.022 0.000 0.638 465 A CB -1.016 17.984 19.000 0.000 0.000 0.812 465 A HN 0.170 nan 8.150 nan 0.000 0.446 466 V N -0.269 119.621 119.914 -0.040 0.000 2.490 466 V HA -0.218 3.902 4.120 0.000 0.000 0.250 466 V C 2.862 178.936 176.094 -0.032 0.000 1.061 466 V CA 1.819 64.090 62.300 -0.049 0.000 1.064 466 V CB -1.089 30.687 31.823 -0.079 0.000 0.670 466 V HN 0.591 nan 8.190 nan 0.000 0.461 467 A N -0.481 122.324 122.820 -0.025 0.000 1.975 467 A HA 0.069 4.389 4.320 0.000 0.000 0.215 467 A C 2.156 179.795 177.584 0.092 0.000 1.170 467 A CA 0.822 52.871 52.037 0.022 0.000 0.656 467 A CB -0.257 18.739 19.000 -0.007 0.000 0.821 467 A HN 0.422 nan 8.150 nan 0.000 0.449 468 L N -0.057 121.225 121.223 0.098 0.000 2.056 468 L HA -0.174 4.166 4.340 0.000 0.000 0.207 468 L C 2.590 179.484 176.870 0.039 0.000 1.078 468 L CA 2.061 56.946 54.840 0.075 0.000 0.749 468 L CB -0.718 41.371 42.059 0.050 0.000 0.901 468 L HN 0.575 nan 8.230 nan 0.000 0.433 469 K N 0.701 121.114 120.400 0.023 0.000 2.211 469 K HA -0.159 4.161 4.320 0.000 0.000 0.204 469 K C 1.591 178.199 176.600 0.013 0.000 1.047 469 K CA 1.235 57.528 56.287 0.011 0.000 0.935 469 K CB -0.007 32.491 32.500 -0.003 0.000 0.728 469 K HN 0.263 nan 8.250 nan 0.000 0.452 470 M N 1.870 121.481 119.600 0.018 0.000 2.631 470 M HA 0.080 4.560 4.480 0.000 0.000 0.241 470 M C -0.616 175.701 176.300 0.028 0.000 1.255 470 M CA -0.088 55.222 55.300 0.017 0.000 0.983 470 M CB 0.241 32.847 32.600 0.010 0.000 1.580 470 M HN 0.123 nan 8.290 nan 0.000 0.464 471 N N 0.308 119.026 118.700 0.030 0.000 2.710 471 N HA -0.169 4.571 4.740 0.000 0.000 0.249 471 N C 0.011 175.543 175.510 0.037 0.000 1.059 471 N CA 0.828 53.893 53.050 0.026 0.000 0.720 471 N CB -1.448 37.049 38.487 0.016 0.000 0.983 471 N HN 0.553 nan 8.380 nan 0.000 0.544 472 A N 0.218 123.084 122.820 0.076 0.000 2.475 472 A HA 0.447 4.767 4.320 0.000 0.000 0.239 472 A C 1.138 178.761 177.584 0.064 0.000 1.087 472 A CA 0.865 52.976 52.037 0.124 0.000 0.779 472 A CB 0.313 19.478 19.000 0.275 0.000 1.036 472 A HN 0.494 nan 8.150 nan 0.000 0.506 473 T N -1.928 112.662 114.554 0.060 0.000 2.907 473 T HA 0.506 4.856 4.350 0.000 0.000 0.290 473 T C 0.802 175.431 174.700 -0.119 0.000 1.066 473 T CA -0.446 61.626 62.100 -0.048 0.000 1.012 473 T CB 1.379 70.234 68.868 -0.023 0.000 1.184 473 T HN 0.549 nan 8.240 nan 0.000 0.522 474 K N 1.026 121.295 120.400 -0.218 0.000 2.032 474 K HA -0.171 4.149 4.320 0.000 0.000 0.218 474 K C 1.986 178.528 176.600 -0.097 0.000 1.054 474 K CA 1.982 58.097 56.287 -0.288 0.000 0.941 474 K CB -0.707 31.642 32.500 -0.251 0.000 0.720 474 K HN 0.662 nan 8.250 nan 0.000 0.449 475 K N -0.052 120.327 120.400 -0.035 0.000 2.286 475 K HA -0.163 4.157 4.320 0.000 0.000 0.203 475 K C 1.329 177.975 176.600 0.075 0.000 1.045 475 K CA 1.557 57.854 56.287 0.016 0.000 0.935 475 K CB -0.109 32.398 32.500 0.012 0.000 0.737 475 K HN 0.308 nan 8.250 nan 0.000 0.460 476 D N -0.420 120.066 120.400 0.144 0.000 2.162 476 D HA -0.079 4.561 4.640 0.000 0.000 0.203 476 D C 1.602 178.033 176.300 0.219 0.000 0.967 476 D CA 0.859 54.963 54.000 0.173 0.000 0.840 476 D CB -0.045 40.896 40.800 0.234 0.000 0.972 476 D HN 0.064 nan 8.370 nan 0.000 0.482 477 F N 1.398 121.345 119.950 -0.006 0.000 2.163 477 F HA -0.060 4.467 4.527 0.000 0.000 0.297 477 F C 2.116 177.918 175.800 0.003 0.000 1.094 477 F CA 0.728 58.740 58.000 0.020 0.000 1.290 477 F CB -0.650 38.355 39.000 0.009 0.000 1.017 477 F HN -0.142 nan 8.300 nan 0.000 0.483 478 D N -0.036 120.467 120.400 0.171 0.000 2.178 478 D HA -0.132 4.509 4.640 0.000 0.000 0.201 478 D C 1.720 178.052 176.300 0.053 0.000 0.980 478 D CA 1.115 55.159 54.000 0.074 0.000 0.842 478 D CB -0.285 40.528 40.800 0.021 0.000 0.948 478 D HN 0.373 nan 8.370 nan 0.000 0.472 479 E N -0.542 119.690 120.200 0.053 0.000 2.502 479 E HA 0.043 4.394 4.350 0.000 0.000 0.194 479 E C -0.096 176.513 176.600 0.017 0.000 1.062 479 E CA 0.288 56.705 56.400 0.027 0.000 0.867 479 E CB 0.284 29.997 29.700 0.021 0.000 0.888 479 E HN 0.023 nan 8.360 nan 0.000 0.510 480 T N 1.877 116.445 114.554 0.023 0.000 2.728 480 T HA 0.248 4.598 4.350 0.000 0.000 0.296 480 T C 0.398 175.099 174.700 0.002 0.000 0.940 480 T CA -0.384 61.712 62.100 -0.007 0.000 1.013 480 T CB 0.685 69.525 68.868 -0.046 0.000 0.912 480 T HN 0.054 nan 8.240 nan 0.000 0.484 481 I N 6.219 126.785 120.570 -0.007 0.000 2.618 481 I HA 0.133 4.303 4.170 0.000 0.000 0.284 481 I C -1.670 174.447 176.117 0.001 0.000 1.146 481 I CA -1.736 59.562 61.300 -0.003 0.000 1.425 481 I CB 0.768 38.764 38.000 -0.007 0.000 1.383 481 I HN 0.377 nan 8.210 nan 0.000 0.562 482 P HA 0.354 nan 4.420 nan 0.000 0.279 482 P C -0.614 176.710 177.300 0.040 0.000 1.252 482 P CA -0.423 62.696 63.100 0.031 0.000 0.811 482 P CB 0.837 32.558 31.700 0.035 0.000 1.035 483 I N 1.601 122.203 120.570 0.053 0.000 2.396 483 I HA 0.283 4.453 4.170 0.000 0.000 0.292 483 I C 0.233 176.422 176.117 0.120 0.000 0.999 483 I CA -0.382 60.955 61.300 0.062 0.000 1.310 483 I CB 0.592 38.612 38.000 0.033 0.000 1.404 483 I HN 0.456 nan 8.210 nan 0.000 0.496 484 H N 7.110 126.178 119.070 -0.004 0.000 2.600 484 H HA 0.604 5.160 4.556 0.000 0.000 0.357 484 H C -2.601 172.728 175.328 0.002 0.000 1.106 484 H CA -1.673 54.372 56.048 -0.006 0.000 1.193 484 H CB 1.809 31.564 29.762 -0.013 0.000 1.594 484 H HN 0.324 nan 8.280 nan 0.000 0.526 485 P HA 0.358 nan 4.420 nan 0.000 0.303 485 P C -1.326 175.890 177.300 -0.140 0.000 1.350 485 P CA -0.676 62.057 63.100 -0.611 0.000 0.880 485 P CB 1.668 32.903 31.700 -0.774 0.000 1.018 486 T N -2.136 112.418 114.554 0.001 0.000 2.883 486 T HA 0.624 4.974 4.350 0.000 0.000 0.301 486 T C 0.842 175.585 174.700 0.071 0.000 1.158 486 T CA -0.241 61.884 62.100 0.043 0.000 1.007 486 T CB 1.555 70.460 68.868 0.060 0.000 1.186 486 T HN 0.163 nan 8.240 nan 0.000 0.499 487 A N 1.303 124.206 122.820 0.138 0.000 1.902 487 A HA 0.275 4.595 4.320 0.000 0.000 0.217 487 A C 2.537 180.238 177.584 0.195 0.000 1.181 487 A CA 2.015 54.196 52.037 0.239 0.000 0.623 487 A CB -1.446 17.734 19.000 0.300 0.000 0.818 487 A HN 1.458 nan 8.150 nan 0.000 0.443 488 A N 0.793 123.739 122.820 0.210 0.000 1.972 488 A HA -0.154 4.166 4.320 0.000 0.000 0.219 488 A C 1.897 179.661 177.584 0.300 0.000 1.169 488 A CA 1.617 53.845 52.037 0.319 0.000 0.635 488 A CB -0.685 18.526 19.000 0.352 0.000 0.810 488 A HN 0.810 nan 8.150 nan 0.000 0.446 489 E N -0.204 120.094 120.200 0.163 0.000 2.209 489 E HA -0.248 4.102 4.350 0.000 0.000 0.196 489 E C 1.251 177.886 176.600 0.058 0.000 0.993 489 E CA 1.213 57.685 56.400 0.121 0.000 0.819 489 E CB -0.359 29.385 29.700 0.073 0.000 0.745 489 E HN 0.513 nan 8.360 nan 0.000 0.477 490 E N 0.449 120.608 120.200 -0.069 0.000 2.219 490 E HA -0.165 4.185 4.350 0.000 0.000 0.198 490 E C 1.614 178.161 176.600 -0.089 0.000 0.998 490 E CA 0.830 57.120 56.400 -0.182 0.000 0.818 490 E CB -0.362 29.134 29.700 -0.339 0.000 0.741 490 E HN 0.483 nan 8.360 nan 0.000 0.477 491 F N 0.180 120.157 119.950 0.045 0.000 2.333 491 F HA -0.114 4.413 4.527 0.000 0.000 0.300 491 F C 2.072 177.943 175.800 0.118 0.000 1.083 491 F CA 0.539 58.567 58.000 0.046 0.000 1.395 491 F CB 0.164 39.137 39.000 -0.045 0.000 1.056 491 F HN -0.005 nan 8.300 nan 0.000 0.529 492 L N -1.761 119.619 121.223 0.262 0.000 2.585 492 L HA 0.062 4.402 4.340 0.000 0.000 0.226 492 L C 1.269 178.187 176.870 0.080 0.000 1.113 492 L CA 0.580 55.533 54.840 0.188 0.000 0.876 492 L CB -0.249 41.898 42.059 0.147 0.000 1.072 492 L HN -0.094 nan 8.230 nan 0.000 0.468 493 T N 0.425 115.000 114.554 0.035 0.000 3.085 493 T HA 0.270 4.620 4.350 0.000 0.000 0.264 493 T C 0.826 175.517 174.700 -0.015 0.000 1.019 493 T CA -0.278 61.819 62.100 -0.006 0.000 0.910 493 T CB 0.052 68.899 68.868 -0.034 0.000 1.059 493 T HN 0.056 nan 8.240 nan 0.000 0.542 494 L N 2.663 123.874 121.223 -0.021 0.000 2.583 494 L HA 0.116 4.456 4.340 0.000 0.000 0.280 494 L C 0.759 177.615 176.870 -0.023 0.000 1.261 494 L CA 0.229 55.061 54.840 -0.012 0.000 1.164 494 L CB -0.509 41.532 42.059 -0.029 0.000 1.402 494 L HN 0.095 nan 8.230 nan 0.000 0.443 495 Q N 0.000 119.822 119.800 0.037 0.000 2.315 495 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 495 Q CA 0.000 55.844 55.803 0.068 0.000 1.022 495 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 495 Q HN 0.000 nan 8.270 nan 0.000 0.481