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 3kzu_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRRVVITGLG LVSPLASGVE ETWKRLLAGE SGARRVTEFE VDDLACQIAC DATA SEQUENCE RIPVGDGTNG TFNPDLHMDP KEQRKVDPFI VYAVGAADQA LDDAGWHPEN DATA SEQUENCE DEDQVRTGVL IGSGIGGIEG IVEAGYTLRD KGPRRISPFF IPGRLINLAS DATA SEQUENCE GHVSIKHKLR GPNHSVVTAC ATGTHAIGDA ARLIAFGDAD VMVAGGTESP DATA SEQUENCE VSRISLAGFA ACKALSTERN DDPTAASRPY DEDRDGFVMG EGAGIVVLEE DATA SEQUENCE LEHALARGAK IYAEVIGYGM SGDAFHITAP TESGEGAQRC MVAALKRAGI DATA SEQUENCE VPDEIDYINA HGTSTMADTI ELGAVERVVG EAAAKISMSS TKSSIGHLLG DATA SEQUENCE AAGAAEAVFS TLAIRDNIAP ATLNLDNPAA QTRIDLVPHK PRERKIDVAL DATA SEQUENCE SNSFGFGGTN ASLVLRRYTA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 R N 1.008 121.511 120.500 0.005 0.000 2.500 2 R HA 0.733 5.074 4.340 0.003 0.000 0.277 2 R C -0.096 176.203 176.300 -0.001 0.000 1.026 2 R CA -0.884 55.217 56.100 0.001 0.000 1.058 2 R CB 1.600 31.894 30.300 -0.009 0.000 1.078 2 R HN 0.527 nan 8.270 nan 0.000 0.509 3 R N 0.522 121.023 120.500 0.001 0.000 2.531 3 R HA 0.356 4.698 4.340 0.003 0.000 0.273 3 R C -0.653 175.628 176.300 -0.031 0.000 1.070 3 R CA -0.437 55.664 56.100 0.002 0.000 1.112 3 R CB 1.001 31.319 30.300 0.029 0.000 1.049 3 R HN 0.230 nan 8.270 nan 0.000 0.508 4 V N 3.087 122.979 119.914 -0.036 0.000 2.577 4 V HA 0.366 4.487 4.120 0.003 0.000 0.303 4 V C -0.308 175.741 176.094 -0.076 0.000 1.042 4 V CA -0.774 61.485 62.300 -0.068 0.000 0.872 4 V CB 1.705 33.488 31.823 -0.066 0.000 0.998 4 V HN 0.607 nan 8.190 nan 0.000 0.423 5 V N 2.522 122.368 119.914 -0.114 0.000 2.960 5 V HA 0.701 4.823 4.120 0.003 0.000 0.315 5 V C -0.443 175.594 176.094 -0.095 0.000 1.087 5 V CA -1.030 61.200 62.300 -0.116 0.000 0.982 5 V CB 2.255 33.946 31.823 -0.220 0.000 1.039 5 V HN 0.647 nan 8.190 nan 0.000 0.437 6 I N 2.645 123.187 120.570 -0.046 0.000 2.315 6 I HA 0.427 4.598 4.170 0.003 0.000 0.291 6 I C 1.096 177.271 176.117 0.096 0.000 1.006 6 I CA 0.162 61.453 61.300 -0.015 0.000 1.265 6 I CB 1.883 39.864 38.000 -0.030 0.000 1.387 6 I HN 0.992 nan 8.210 nan 0.000 0.475 7 T N 0.664 115.253 114.554 0.059 0.000 3.043 7 T HA 0.415 4.766 4.350 0.003 0.000 0.272 7 T C 0.396 175.205 174.700 0.182 0.000 0.990 7 T CA -0.283 61.870 62.100 0.089 0.000 0.897 7 T CB 0.503 69.339 68.868 -0.053 0.000 1.111 7 T HN 0.687 nan 8.240 nan 0.000 0.529 8 G N 0.784 109.668 108.800 0.140 0.000 2.732 8 G HA2 0.616 4.578 3.960 0.003 0.000 0.296 8 G HA3 0.616 4.578 3.960 0.003 0.000 0.296 8 G C -2.008 172.830 174.900 -0.103 0.000 1.448 8 G CA -0.906 44.255 45.100 0.101 0.000 0.911 8 G HN 0.328 nan 8.290 nan 0.000 0.528 9 L N 0.380 121.513 121.223 -0.150 0.000 2.388 9 L HA 0.901 5.243 4.340 0.003 0.000 0.264 9 L C 0.349 177.144 176.870 -0.126 0.000 0.998 9 L CA -0.915 53.779 54.840 -0.244 0.000 0.817 9 L CB 2.694 44.495 42.059 -0.430 0.000 1.338 9 L HN 0.834 nan 8.230 nan 0.000 0.414 10 G N 1.781 110.504 108.800 -0.128 0.000 2.667 10 G HA2 0.728 4.689 3.960 0.003 0.000 0.298 10 G HA3 0.728 4.689 3.960 0.003 0.000 0.298 10 G C -2.293 172.543 174.900 -0.106 0.000 1.377 10 G CA -0.391 44.661 45.100 -0.078 0.000 0.964 10 G HN 0.314 nan 8.290 nan 0.000 0.493 11 L N 1.456 122.632 121.223 -0.079 0.000 2.588 11 L HA 0.629 4.971 4.340 0.003 0.000 0.263 11 L C -1.294 175.517 176.870 -0.097 0.000 0.935 11 L CA -0.595 54.179 54.840 -0.108 0.000 0.891 11 L CB 2.266 44.264 42.059 -0.100 0.000 1.318 11 L HN 0.411 nan 8.230 nan 0.000 0.409 12 V N 4.028 123.834 119.914 -0.180 0.000 2.350 12 V HA 0.804 4.925 4.120 0.003 0.000 0.285 12 V C -0.058 175.850 176.094 -0.309 0.000 1.014 12 V CA -0.032 62.092 62.300 -0.293 0.000 0.831 12 V CB 1.378 32.874 31.823 -0.545 0.000 1.000 12 V HN 0.894 nan 8.190 nan 0.000 0.433 13 S N 5.044 120.623 115.700 -0.202 0.000 2.671 13 S HA 0.670 5.142 4.470 0.003 0.000 0.299 13 S C -2.504 172.029 174.600 -0.111 0.000 1.116 13 S CA -1.714 56.408 58.200 -0.130 0.000 0.912 13 S CB 2.457 65.663 63.200 0.009 0.000 1.130 13 S HN 0.334 nan 8.310 nan 0.000 0.501 14 P HA 0.151 nan 4.420 nan 0.000 0.234 14 P C 0.886 178.184 177.300 -0.004 0.000 1.167 14 P CA 0.637 63.713 63.100 -0.041 0.000 0.763 14 P CB -0.015 31.675 31.700 -0.016 0.000 0.835 15 L N -2.559 118.677 121.223 0.022 0.000 2.298 15 L HA 0.342 4.684 4.340 0.003 0.000 0.209 15 L C 0.926 177.819 176.870 0.038 0.000 1.084 15 L CA 0.122 54.982 54.840 0.033 0.000 0.816 15 L CB -0.051 42.038 42.059 0.049 0.000 0.967 15 L HN -0.118 nan 8.230 nan 0.000 0.460 16 A N -1.127 121.717 122.820 0.039 0.000 2.569 16 A HA 0.419 4.740 4.320 0.003 0.000 0.292 16 A C -1.047 176.564 177.584 0.045 0.000 1.032 16 A CA -0.418 51.654 52.037 0.057 0.000 0.669 16 A CB 0.986 20.032 19.000 0.078 0.000 1.290 16 A HN -0.173 nan 8.150 nan 0.000 0.422 17 S N 0.217 115.975 115.700 0.097 0.000 2.465 17 S HA 0.651 5.123 4.470 0.003 0.000 0.279 17 S C 0.226 174.906 174.600 0.134 0.000 1.201 17 S CA 0.924 59.202 58.200 0.131 0.000 1.053 17 S CB 0.187 63.596 63.200 0.348 0.000 0.953 17 S HN 2.597 nan 8.310 nan 0.000 0.488 18 G N 3.069 111.929 108.800 0.100 0.000 2.653 18 G HA2 -0.039 3.923 3.960 0.003 0.000 0.656 18 G HA3 -0.039 3.923 3.960 0.003 0.000 0.656 18 G C 0.065 175.020 174.900 0.093 0.000 1.419 18 G CA -0.398 44.762 45.100 0.101 0.000 0.862 18 G HN 0.701 nan 8.290 nan 0.000 0.639 19 V N 1.707 121.666 119.914 0.075 0.000 2.244 19 V HA -0.098 4.024 4.120 0.003 0.000 0.244 19 V C 2.632 178.817 176.094 0.151 0.000 1.042 19 V CA 2.532 64.875 62.300 0.072 0.000 1.006 19 V CB -0.379 31.440 31.823 -0.006 0.000 0.641 19 V HN 0.763 nan 8.190 nan 0.000 0.446 20 E N 0.129 120.414 120.200 0.143 0.000 2.106 20 E HA -0.204 4.148 4.350 0.003 0.000 0.192 20 E C 2.173 178.896 176.600 0.206 0.000 0.984 20 E CA 1.139 57.658 56.400 0.197 0.000 0.806 20 E CB -0.217 29.576 29.700 0.154 0.000 0.750 20 E HN 0.698 nan 8.360 nan 0.000 0.458 21 E N 0.154 120.446 120.200 0.153 0.000 2.077 21 E HA -0.100 4.252 4.350 0.003 0.000 0.193 21 E C 2.123 178.803 176.600 0.134 0.000 0.989 21 E CA 1.538 58.012 56.400 0.123 0.000 0.800 21 E CB -0.342 29.419 29.700 0.102 0.000 0.746 21 E HN 0.101 nan 8.360 nan 0.000 0.452 22 T N 0.187 114.846 114.554 0.175 0.000 2.746 22 T HA -0.168 4.183 4.350 0.003 0.000 0.267 22 T C 1.253 176.100 174.700 0.246 0.000 1.039 22 T CA 1.006 63.230 62.100 0.207 0.000 1.142 22 T CB -0.349 68.682 68.868 0.272 0.000 0.866 22 T HN 0.405 nan 8.240 nan 0.000 0.444 23 W N 2.229 123.569 121.300 0.066 0.000 2.379 23 W HA -0.112 4.550 4.660 0.003 0.000 0.307 23 W C 2.367 178.861 176.519 -0.042 0.000 1.200 23 W CA 1.237 58.583 57.345 0.002 0.000 1.297 23 W CB -0.148 29.340 29.460 0.047 0.000 1.140 23 W HN 0.195 nan 8.180 nan 0.000 0.507 24 K N 0.719 121.154 120.400 0.059 0.000 2.032 24 K HA -0.232 4.090 4.320 0.003 0.000 0.209 24 K C 2.181 178.708 176.600 -0.122 0.000 1.048 24 K CA 1.859 58.103 56.287 -0.072 0.000 0.927 24 K CB -0.270 32.240 32.500 0.017 0.000 0.712 24 K HN 0.098 nan 8.250 nan 0.000 0.441 25 R N 0.269 120.734 120.500 -0.059 0.000 2.090 25 R HA -0.098 4.244 4.340 0.003 0.000 0.228 25 R C 2.445 178.668 176.300 -0.128 0.000 1.110 25 R CA 1.060 57.120 56.100 -0.066 0.000 0.973 25 R CB -0.426 29.865 30.300 -0.014 0.000 0.869 25 R HN 0.172 nan 8.270 nan 0.000 0.440 26 L N 1.261 122.380 121.223 -0.174 0.000 1.990 26 L HA -0.188 4.153 4.340 0.003 0.000 0.213 26 L C 1.992 178.644 176.870 -0.363 0.000 1.072 26 L CA 1.766 56.432 54.840 -0.289 0.000 0.755 26 L CB -0.340 41.457 42.059 -0.436 0.000 0.889 26 L HN 0.140 nan 8.230 nan 0.000 0.432 27 L N -0.811 120.116 121.223 -0.493 0.000 2.201 27 L HA -0.109 4.233 4.340 0.003 0.000 0.212 27 L C 2.403 179.104 176.870 -0.281 0.000 1.105 27 L CA 0.829 55.380 54.840 -0.482 0.000 0.775 27 L CB -0.805 40.868 42.059 -0.644 0.000 0.913 27 L HN 0.373 nan 8.230 nan 0.000 0.440 28 A N -0.224 122.467 122.820 -0.214 0.000 2.235 28 A HA 0.227 4.548 4.320 0.003 0.000 0.208 28 A C 1.778 179.298 177.584 -0.107 0.000 1.172 28 A CA 0.807 52.763 52.037 -0.135 0.000 0.786 28 A CB -0.507 18.433 19.000 -0.100 0.000 0.804 28 A HN 0.527 nan 8.150 nan 0.000 0.479 29 G N -0.605 108.122 108.800 -0.123 0.000 2.136 29 G HA2 -0.228 3.734 3.960 0.003 0.000 0.242 29 G HA3 -0.228 3.734 3.960 0.003 0.000 0.242 29 G C -0.167 174.696 174.900 -0.061 0.000 0.989 29 G CA 0.282 45.331 45.100 -0.084 0.000 0.682 29 G HN 0.647 nan 8.290 nan 0.000 0.522 30 E N 0.320 120.480 120.200 -0.067 0.000 2.373 30 E HA 0.494 4.846 4.350 0.003 0.000 0.263 30 E C 0.207 176.786 176.600 -0.035 0.000 1.073 30 E CA 0.315 56.690 56.400 -0.042 0.000 0.894 30 E CB 1.295 30.973 29.700 -0.036 0.000 1.008 30 E HN 0.203 nan 8.360 nan 0.000 0.420 31 S N 0.444 116.133 115.700 -0.018 0.000 2.482 31 S HA 0.432 4.904 4.470 0.003 0.000 0.303 31 S C 0.665 175.264 174.600 -0.002 0.000 1.091 31 S CA -0.499 57.695 58.200 -0.009 0.000 1.057 31 S CB 1.409 64.607 63.200 -0.003 0.000 1.031 31 S HN 0.608 nan 8.310 nan 0.000 0.485 32 G N 2.237 111.040 108.800 0.005 0.000 2.920 32 G HA2 0.407 4.369 3.960 0.003 0.000 0.208 32 G HA3 0.407 4.369 3.960 0.003 0.000 0.208 32 G C 0.456 175.360 174.900 0.006 0.000 1.159 32 G CA 0.282 45.386 45.100 0.007 0.000 0.784 32 G HN 1.019 nan 8.290 nan 0.000 0.535 33 A N 0.850 123.675 122.820 0.007 0.000 2.366 33 A HA 0.760 5.082 4.320 0.003 0.000 0.272 33 A C 0.417 178.001 177.584 0.001 0.000 1.135 33 A CA -0.487 51.554 52.037 0.008 0.000 0.804 33 A CB 0.288 19.296 19.000 0.012 0.000 1.064 33 A HN 0.628 nan 8.150 nan 0.000 0.499 34 R N 1.365 121.862 120.500 -0.004 0.000 2.692 34 R HA 0.554 4.895 4.340 0.003 0.000 0.269 34 R C -0.508 175.777 176.300 -0.024 0.000 1.030 34 R CA -1.010 55.082 56.100 -0.013 0.000 0.882 34 R CB 0.963 31.254 30.300 -0.014 0.000 1.250 34 R HN 0.708 nan 8.270 nan 0.000 0.465 35 R N 1.628 122.111 120.500 -0.029 0.000 2.537 35 R HA 0.087 4.429 4.340 0.003 0.000 0.281 35 R C -0.627 175.625 176.300 -0.081 0.000 0.988 35 R CA -0.207 55.866 56.100 -0.045 0.000 1.077 35 R CB 0.595 30.873 30.300 -0.037 0.000 0.932 35 R HN 0.455 nan 8.270 nan 0.000 0.409 36 V N 5.015 124.855 119.914 -0.125 0.000 2.572 36 V HA 0.029 4.151 4.120 0.003 0.000 0.291 36 V C 1.316 177.256 176.094 -0.257 0.000 1.039 36 V CA 0.720 62.873 62.300 -0.245 0.000 1.055 36 V CB 1.239 32.823 31.823 -0.398 0.000 0.969 36 V HN 1.097 nan 8.190 nan 0.000 0.482 37 T N -0.201 114.205 114.554 -0.245 0.000 2.975 37 T HA 0.158 4.509 4.350 0.003 0.000 0.261 37 T C 1.029 175.631 174.700 -0.163 0.000 0.984 37 T CA -0.153 61.849 62.100 -0.163 0.000 0.911 37 T CB 0.206 69.025 68.868 -0.082 0.000 1.127 37 T HN 0.508 nan 8.240 nan 0.000 0.514 38 E N 1.180 121.228 120.200 -0.253 0.000 2.371 38 E HA 0.304 4.656 4.350 0.003 0.000 0.194 38 E C 0.020 176.656 176.600 0.059 0.000 1.012 38 E CA 0.427 56.783 56.400 -0.073 0.000 0.860 38 E CB -0.014 29.708 29.700 0.038 0.000 0.811 38 E HN 0.827 nan 8.360 nan 0.000 0.502 39 F N -2.123 117.854 119.950 0.046 0.000 2.745 39 F HA 0.556 5.084 4.527 0.003 0.000 0.316 39 F C -0.632 175.192 175.800 0.040 0.000 1.155 39 F CA -1.962 56.066 58.000 0.046 0.000 0.937 39 F CB 0.816 39.850 39.000 0.057 0.000 1.361 39 F HN -0.406 nan 8.300 nan 0.000 0.472 40 E N 0.483 120.875 120.200 0.320 0.000 2.324 40 E HA 0.429 4.780 4.350 0.003 0.000 0.271 40 E C 0.152 176.886 176.600 0.225 0.000 1.028 40 E CA 0.203 56.714 56.400 0.184 0.000 0.890 40 E CB 1.165 30.949 29.700 0.139 0.000 1.004 40 E HN 0.805 nan 8.360 nan 0.000 0.431 41 V N 0.575 120.552 119.914 0.105 0.000 3.451 41 V HA 0.215 4.337 4.120 0.003 0.000 0.288 41 V C 0.739 176.871 176.094 0.063 0.000 1.502 41 V CA 0.060 62.421 62.300 0.102 0.000 1.026 41 V CB 0.499 32.346 31.823 0.041 0.000 0.840 41 V HN 0.506 nan 8.190 nan 0.000 0.437 42 D N 2.886 123.313 120.400 0.045 0.000 2.264 42 D HA -0.132 4.510 4.640 0.003 0.000 0.208 42 D C 1.343 177.664 176.300 0.034 0.000 0.966 42 D CA 1.873 55.892 54.000 0.031 0.000 0.864 42 D CB -0.021 40.792 40.800 0.022 0.000 0.933 42 D HN 0.825 nan 8.370 nan 0.000 0.499 43 D N 0.057 120.484 120.400 0.045 0.000 2.328 43 D HA -0.022 4.620 4.640 0.003 0.000 0.221 43 D C 0.684 177.012 176.300 0.047 0.000 1.072 43 D CA -0.047 53.978 54.000 0.042 0.000 0.850 43 D CB -0.196 40.629 40.800 0.041 0.000 0.922 43 D HN 0.165 nan 8.370 nan 0.000 0.516 44 L N -0.032 121.224 121.223 0.056 0.000 2.344 44 L HA 0.565 4.907 4.340 0.003 0.000 0.272 44 L C 1.564 178.460 176.870 0.043 0.000 1.035 44 L CA -0.875 54.001 54.840 0.059 0.000 0.807 44 L CB 1.624 43.736 42.059 0.088 0.000 1.237 44 L HN -0.141 nan 8.230 nan 0.000 0.442 45 A N 0.851 123.694 122.820 0.038 0.000 1.930 45 A HA -0.102 4.219 4.320 0.003 0.000 0.217 45 A C 0.928 178.524 177.584 0.020 0.000 1.175 45 A CA 0.782 52.834 52.037 0.025 0.000 0.627 45 A CB -0.250 18.763 19.000 0.021 0.000 0.815 45 A HN 0.681 nan 8.150 nan 0.000 0.443 46 C N -0.012 119.303 119.300 0.025 0.000 2.322 46 C HA 0.643 5.104 4.460 0.003 0.000 0.324 46 C C 0.544 175.554 174.990 0.034 0.000 1.284 46 C CA -0.513 58.515 59.018 0.017 0.000 1.606 46 C CB 0.385 28.124 27.740 -0.003 0.000 2.251 46 C HN 0.614 nan 8.230 nan 0.000 0.502 47 Q N 4.792 124.604 119.800 0.020 0.000 2.159 47 Q HA 0.328 4.669 4.340 0.003 0.000 0.217 47 Q C -0.003 175.991 176.000 -0.010 0.000 0.818 47 Q CA 0.061 55.871 55.803 0.011 0.000 1.008 47 Q CB 0.438 29.179 28.738 0.004 0.000 1.148 47 Q HN 0.893 nan 8.270 nan 0.000 0.491 48 I N -3.471 117.100 120.570 0.001 0.000 3.002 48 I HA 0.988 5.159 4.170 0.003 0.000 0.310 48 I C -0.999 175.125 176.117 0.012 0.000 1.087 48 I CA -1.348 59.949 61.300 -0.005 0.000 1.017 48 I CB 2.153 40.153 38.000 -0.000 0.000 1.226 48 I HN -0.139 nan 8.210 nan 0.000 0.443 49 A N 2.357 125.183 122.820 0.011 0.000 2.586 49 A HA 0.658 4.980 4.320 0.003 0.000 0.290 49 A C -1.718 175.880 177.584 0.022 0.000 1.086 49 A CA -0.556 51.500 52.037 0.032 0.000 0.665 49 A CB 1.257 20.288 19.000 0.052 0.000 1.279 49 A HN 0.827 nan 8.150 nan 0.000 0.423 50 C N 1.697 121.014 119.300 0.028 0.000 2.239 50 C HA 0.666 5.127 4.460 0.003 0.000 0.323 50 C C 0.443 175.435 174.990 0.003 0.000 1.205 50 C CA -0.463 58.564 59.018 0.015 0.000 1.584 50 C CB -0.931 26.822 27.740 0.021 0.000 2.201 50 C HN 0.641 nan 8.230 nan 0.000 0.475 51 R N 2.453 122.952 120.500 -0.001 0.000 2.589 51 R HA 0.553 4.894 4.340 0.003 0.000 0.293 51 R C -0.604 175.677 176.300 -0.031 0.000 0.963 51 R CA -0.690 55.406 56.100 -0.006 0.000 0.905 51 R CB 1.736 32.047 30.300 0.018 0.000 1.144 51 R HN 0.627 nan 8.270 nan 0.000 0.459 52 I N 4.529 125.049 120.570 -0.083 0.000 2.668 52 I HA -0.012 4.160 4.170 0.003 0.000 0.285 52 I C -1.623 174.498 176.117 0.006 0.000 1.168 52 I CA -1.112 60.124 61.300 -0.107 0.000 1.424 52 I CB 0.232 38.052 38.000 -0.299 0.000 1.377 52 I HN 0.229 nan 8.210 nan 0.000 0.560 53 P HA 0.132 nan 4.420 nan 0.000 0.276 53 P C -0.582 176.797 177.300 0.132 0.000 1.264 53 P CA -0.061 63.081 63.100 0.070 0.000 0.769 53 P CB 0.782 32.516 31.700 0.057 0.000 0.840 54 V N 3.540 123.537 119.914 0.139 0.000 2.539 54 V HA 0.801 4.923 4.120 0.003 0.000 0.292 54 V C 1.035 177.192 176.094 0.105 0.000 1.045 54 V CA 0.432 62.837 62.300 0.176 0.000 0.945 54 V CB 1.139 33.072 31.823 0.184 0.000 0.993 54 V HN 0.959 nan 8.190 nan 0.000 0.464 55 G N 2.807 111.655 108.800 0.079 0.000 2.450 55 G HA2 0.287 4.248 3.960 0.003 0.000 0.273 55 G HA3 0.287 4.248 3.960 0.003 0.000 0.273 55 G C -0.402 174.500 174.900 0.002 0.000 1.221 55 G CA 0.264 45.387 45.100 0.039 0.000 0.900 55 G HN 0.600 nan 8.290 nan 0.000 0.483 56 D N -0.853 119.547 120.400 -0.001 0.000 2.340 56 D HA 0.348 4.990 4.640 0.003 0.000 0.220 56 D C 1.620 177.900 176.300 -0.032 0.000 1.039 56 D CA 1.237 55.223 54.000 -0.024 0.000 0.866 56 D CB 0.254 41.045 40.800 -0.015 0.000 0.913 56 D HN 1.915 nan 8.370 nan 0.000 0.523 57 G N -0.237 108.558 108.800 -0.009 0.000 2.213 57 G HA2 -0.233 3.729 3.960 0.003 0.000 0.226 57 G HA3 -0.233 3.729 3.960 0.003 0.000 0.226 57 G C 0.509 175.427 174.900 0.030 0.000 0.992 57 G CA 0.291 45.394 45.100 0.005 0.000 0.632 57 G HN 0.783 nan 8.290 nan 0.000 0.511 58 T N -1.670 112.898 114.554 0.025 0.000 2.881 58 T HA 0.520 4.872 4.350 0.003 0.000 0.278 58 T C 0.763 175.487 174.700 0.040 0.000 0.982 58 T CA 0.491 62.609 62.100 0.030 0.000 0.989 58 T CB 1.253 70.132 68.868 0.019 0.000 1.058 58 T HN 0.734 nan 8.240 nan 0.000 0.529 59 N N 0.109 118.833 118.700 0.040 0.000 2.725 59 N HA -0.196 4.546 4.740 0.003 0.000 0.249 59 N C 1.048 176.590 175.510 0.053 0.000 1.103 59 N CA 1.575 54.650 53.050 0.041 0.000 0.707 59 N CB -1.638 36.869 38.487 0.033 0.000 1.043 59 N HN 1.629 nan 8.380 nan 0.000 0.553 60 G N -1.765 107.075 108.800 0.067 0.000 2.155 60 G HA2 -0.355 3.607 3.960 0.003 0.000 0.257 60 G HA3 -0.355 3.607 3.960 0.003 0.000 0.257 60 G C 0.364 175.325 174.900 0.103 0.000 0.983 60 G CA 1.327 46.477 45.100 0.084 0.000 0.676 60 G HN 1.109 nan 8.290 nan 0.000 0.528 61 T N -1.888 112.726 114.554 0.100 0.000 2.868 61 T HA 0.571 4.922 4.350 0.003 0.000 0.292 61 T C 0.064 174.883 174.700 0.199 0.000 1.028 61 T CA -0.530 61.646 62.100 0.127 0.000 1.059 61 T CB 1.852 70.773 68.868 0.088 0.000 0.991 61 T HN 0.892 nan 8.240 nan 0.000 0.531 62 F N 2.843 122.826 119.950 0.054 0.000 2.411 62 F HA 0.455 4.984 4.527 0.003 0.000 0.355 62 F C 0.042 175.900 175.800 0.096 0.000 1.117 62 F CA -1.487 56.564 58.000 0.084 0.000 1.139 62 F CB 0.562 39.600 39.000 0.064 0.000 1.120 62 F HN 0.666 nan 8.300 nan 0.000 0.493 63 N N 8.751 127.201 118.700 -0.415 0.000 2.621 63 N HA 0.342 5.083 4.740 0.003 0.000 0.237 63 N C -2.030 173.090 175.510 -0.649 0.000 0.997 63 N CA -2.649 50.150 53.050 -0.417 0.000 0.918 63 N CB 1.301 39.662 38.487 -0.211 0.000 1.122 63 N HN 0.263 nan 8.380 nan 0.000 0.510 64 P HA -0.092 nan 4.420 nan 0.000 0.219 64 P C 0.222 177.399 177.300 -0.205 0.000 1.146 64 P CA 0.984 63.802 63.100 -0.470 0.000 0.808 64 P CB 0.541 32.143 31.700 -0.164 0.000 0.779 65 D N -0.041 120.237 120.400 -0.202 0.000 2.218 65 D HA -0.088 4.553 4.640 0.003 0.000 0.204 65 D C 1.996 178.180 176.300 -0.194 0.000 0.976 65 D CA 0.739 54.650 54.000 -0.148 0.000 0.853 65 D CB -0.736 39.992 40.800 -0.120 0.000 0.939 65 D HN 0.256 nan 8.370 nan 0.000 0.481 66 L N -0.054 120.972 121.223 -0.329 0.000 2.362 66 L HA -0.113 4.229 4.340 0.003 0.000 0.219 66 L C 1.773 178.312 176.870 -0.551 0.000 1.134 66 L CA 0.903 55.461 54.840 -0.470 0.000 0.807 66 L CB -0.156 41.530 42.059 -0.621 0.000 0.927 66 L HN 0.208 nan 8.230 nan 0.000 0.447 67 H N -2.418 116.622 119.070 -0.050 0.000 2.927 67 H HA 0.351 4.909 4.556 0.003 0.000 0.255 67 H C 0.329 175.657 175.328 0.000 0.000 0.974 67 H CA 0.136 56.190 56.048 0.010 0.000 1.199 67 H CB 1.298 31.099 29.762 0.065 0.000 1.447 67 H HN 0.176 nan 8.280 nan 0.000 0.467 68 M N 1.163 120.799 119.600 0.058 0.000 2.413 68 M HA 0.187 4.669 4.480 0.003 0.000 0.287 68 M C -1.619 174.667 176.300 -0.023 0.000 1.186 68 M CA -0.608 54.705 55.300 0.022 0.000 0.927 68 M CB 2.992 35.609 32.600 0.028 0.000 1.715 68 M HN -0.102 nan 8.290 nan 0.000 0.478 69 D N 4.466 124.848 120.400 -0.031 0.000 2.443 69 D HA 0.107 4.748 4.640 0.003 0.000 0.239 69 D C -1.966 174.306 176.300 -0.047 0.000 1.136 69 D CA -0.882 53.092 54.000 -0.043 0.000 0.879 69 D CB 1.600 42.374 40.800 -0.042 0.000 1.195 69 D HN 0.347 nan 8.370 nan 0.000 0.443 70 P HA -0.171 nan 4.420 nan 0.000 0.216 70 P C 1.082 178.352 177.300 -0.050 0.000 1.150 70 P CA 2.388 65.462 63.100 -0.043 0.000 0.843 70 P CB 0.105 31.784 31.700 -0.035 0.000 0.787 71 K N 0.205 120.572 120.400 -0.055 0.000 2.211 71 K HA -0.158 4.164 4.320 0.003 0.000 0.203 71 K C 1.895 178.426 176.600 -0.116 0.000 1.050 71 K CA 1.366 57.610 56.287 -0.072 0.000 0.945 71 K CB -1.157 31.306 32.500 -0.061 0.000 0.732 71 K HN 0.195 nan 8.250 nan 0.000 0.451 72 E N 0.383 120.521 120.200 -0.104 0.000 2.122 72 E HA -0.093 4.259 4.350 0.003 0.000 0.190 72 E C 2.234 178.760 176.600 -0.123 0.000 0.977 72 E CA 0.848 57.173 56.400 -0.124 0.000 0.820 72 E CB -0.043 29.618 29.700 -0.065 0.000 0.770 72 E HN 0.753 nan 8.360 nan 0.000 0.462 73 Q N 0.587 120.332 119.800 -0.091 0.000 2.135 73 Q HA -0.174 4.167 4.340 0.003 0.000 0.204 73 Q C 2.039 177.984 176.000 -0.092 0.000 0.981 73 Q CA 1.757 57.507 55.803 -0.089 0.000 0.856 73 Q CB -0.341 28.368 28.738 -0.049 0.000 0.902 73 Q HN 0.235 nan 8.270 nan 0.000 0.425 74 R N 0.327 120.778 120.500 -0.083 0.000 2.323 74 R HA 0.020 4.362 4.340 0.003 0.000 0.198 74 R C 1.118 177.373 176.300 -0.076 0.000 0.988 74 R CA 0.708 56.772 56.100 -0.060 0.000 1.041 74 R CB 0.073 30.351 30.300 -0.037 0.000 0.926 74 R HN 0.029 nan 8.270 nan 0.000 0.476 75 K N 0.992 121.304 120.400 -0.146 0.000 2.374 75 K HA 0.101 4.423 4.320 0.003 0.000 0.196 75 K C 0.217 176.776 176.600 -0.068 0.000 1.023 75 K CA 0.295 56.477 56.287 -0.175 0.000 1.103 75 K CB 1.120 33.323 32.500 -0.495 0.000 0.848 75 K HN 0.166 nan 8.250 nan 0.000 0.528 76 V N -2.267 117.583 119.914 -0.107 0.000 3.102 76 V HA 0.428 4.550 4.120 0.003 0.000 0.312 76 V C -0.906 175.105 176.094 -0.138 0.000 1.135 76 V CA -1.346 60.862 62.300 -0.153 0.000 1.022 76 V CB 1.990 33.604 31.823 -0.348 0.000 1.056 76 V HN -0.187 nan 8.190 nan 0.000 0.436 77 D N 2.290 122.614 120.400 -0.127 0.000 2.344 77 D HA 0.412 5.054 4.640 0.003 0.000 0.244 77 D C -1.814 174.348 176.300 -0.231 0.000 1.134 77 D CA -1.483 52.490 54.000 -0.045 0.000 0.930 77 D CB 1.563 42.506 40.800 0.238 0.000 1.175 77 D HN 0.429 nan 8.370 nan 0.000 0.437 78 P HA -0.091 nan 4.420 nan 0.000 0.219 78 P C 1.155 177.977 177.300 -0.797 0.000 1.146 78 P CA 0.832 63.620 63.100 -0.520 0.000 0.808 78 P CB -0.079 31.326 31.700 -0.492 0.000 0.779 79 F N -1.415 118.260 119.950 -0.458 0.000 2.202 79 F HA -0.131 4.398 4.527 0.003 0.000 0.301 79 F C 1.854 177.535 175.800 -0.198 0.000 1.082 79 F CA 1.084 58.925 58.000 -0.265 0.000 1.313 79 F CB -1.568 37.376 39.000 -0.094 0.000 1.024 79 F HN -0.173 nan 8.300 nan 0.000 0.495 80 I N 0.504 120.419 120.570 -1.092 0.000 2.252 80 I HA -0.212 3.960 4.170 0.003 0.000 0.245 80 I C 2.411 178.282 176.117 -0.409 0.000 1.102 80 I CA 0.969 61.788 61.300 -0.801 0.000 1.385 80 I CB -0.458 36.959 38.000 -0.971 0.000 1.064 80 I HN 0.089 nan 8.210 nan 0.000 0.414 81 V N 0.366 120.054 119.914 -0.375 0.000 2.295 81 V HA -0.307 3.815 4.120 0.003 0.000 0.246 81 V C 2.347 178.505 176.094 0.107 0.000 1.049 81 V CA 1.875 64.108 62.300 -0.110 0.000 1.024 81 V CB -0.927 30.869 31.823 -0.045 0.000 0.648 81 V HN 0.291 nan 8.190 nan 0.000 0.447 82 Y N 0.858 121.140 120.300 -0.030 0.000 2.181 82 Y HA -0.111 4.440 4.550 0.003 0.000 0.288 82 Y C 2.589 178.424 175.900 -0.107 0.000 1.146 82 Y CA 0.685 58.702 58.100 -0.137 0.000 1.164 82 Y CB -1.529 36.825 38.460 -0.177 0.000 0.982 82 Y HN 0.213 nan 8.280 nan 0.000 0.515 83 A N -0.249 122.617 122.820 0.077 0.000 1.902 83 A HA -0.110 4.212 4.320 0.003 0.000 0.217 83 A C 2.515 180.114 177.584 0.025 0.000 1.181 83 A CA 1.858 53.916 52.037 0.035 0.000 0.623 83 A CB -1.146 17.872 19.000 0.029 0.000 0.818 83 A HN 0.231 nan 8.150 nan 0.000 0.443 84 V N -0.007 119.922 119.914 0.026 0.000 2.295 84 V HA -0.187 3.935 4.120 0.003 0.000 0.246 84 V C 2.836 178.934 176.094 0.006 0.000 1.049 84 V CA 1.975 64.316 62.300 0.067 0.000 1.024 84 V CB -1.516 30.358 31.823 0.085 0.000 0.648 84 V HN 0.606 nan 8.190 nan 0.000 0.447 85 G N -0.338 108.393 108.800 -0.115 0.000 2.446 85 G HA2 -0.240 3.722 3.960 0.003 0.000 0.217 85 G HA3 -0.240 3.722 3.960 0.003 0.000 0.217 85 G C 1.757 176.502 174.900 -0.258 0.000 1.168 85 G CA 1.133 45.876 45.100 -0.594 0.000 0.771 85 G HN 0.620 nan 8.290 nan 0.000 0.551 86 A N 0.934 123.691 122.820 -0.105 0.000 1.930 86 A HA 0.350 4.671 4.320 0.003 0.000 0.217 86 A C 2.781 180.342 177.584 -0.038 0.000 1.175 86 A CA 2.108 54.105 52.037 -0.068 0.000 0.627 86 A CB -0.644 18.310 19.000 -0.077 0.000 0.815 86 A HN 0.755 nan 8.150 nan 0.000 0.443 87 A N 0.087 122.899 122.820 -0.014 0.000 1.898 87 A HA -0.136 4.185 4.320 0.003 0.000 0.216 87 A C 1.751 179.336 177.584 0.002 0.000 1.181 87 A CA 1.753 53.788 52.037 -0.004 0.000 0.620 87 A CB -0.574 18.447 19.000 0.036 0.000 0.819 87 A HN 0.423 nan 8.150 nan 0.000 0.442 88 D N -0.180 120.284 120.400 0.105 0.000 2.116 88 D HA -0.200 4.442 4.640 0.003 0.000 0.193 88 D C 2.174 178.562 176.300 0.147 0.000 0.998 88 D CA 1.737 55.863 54.000 0.209 0.000 0.836 88 D CB -0.413 40.609 40.800 0.370 0.000 0.951 88 D HN 0.634 nan 8.370 nan 0.000 0.449 89 Q N -0.030 119.832 119.800 0.104 0.000 2.050 89 Q HA -0.056 4.285 4.340 0.003 0.000 0.202 89 Q C 2.245 178.278 176.000 0.054 0.000 0.980 89 Q CA 1.421 57.283 55.803 0.097 0.000 0.840 89 Q CB -0.128 28.649 28.738 0.065 0.000 0.898 89 Q HN 0.247 nan 8.270 nan 0.000 0.424 90 A N 0.751 123.573 122.820 0.004 0.000 1.898 90 A HA -0.141 4.180 4.320 0.003 0.000 0.216 90 A C 2.057 179.626 177.584 -0.024 0.000 1.181 90 A CA 1.049 53.072 52.037 -0.023 0.000 0.620 90 A CB -0.622 18.342 19.000 -0.060 0.000 0.819 90 A HN 0.276 nan 8.150 nan 0.000 0.442 91 L N -0.616 120.565 121.223 -0.070 0.000 2.093 91 L HA -0.170 4.172 4.340 0.003 0.000 0.208 91 L C 2.067 178.861 176.870 -0.126 0.000 1.085 91 L CA 1.269 56.007 54.840 -0.169 0.000 0.755 91 L CB -0.618 41.205 42.059 -0.393 0.000 0.904 91 L HN 0.276 nan 8.230 nan 0.000 0.435 92 D N -0.063 120.392 120.400 0.092 0.000 2.117 92 D HA -0.224 4.418 4.640 0.003 0.000 0.197 92 D C 1.766 178.152 176.300 0.143 0.000 0.987 92 D CA 1.439 55.572 54.000 0.222 0.000 0.829 92 D CB -0.168 40.758 40.800 0.211 0.000 0.961 92 D HN 0.272 nan 8.370 nan 0.000 0.460 93 D N 0.019 120.482 120.400 0.104 0.000 2.117 93 D HA -0.064 4.577 4.640 0.003 0.000 0.197 93 D C 1.778 178.142 176.300 0.106 0.000 0.987 93 D CA 1.464 55.531 54.000 0.111 0.000 0.829 93 D CB -0.094 40.776 40.800 0.117 0.000 0.961 93 D HN 0.099 nan 8.370 nan 0.000 0.460 94 A N -0.542 122.326 122.820 0.080 0.000 2.119 94 A HA 0.332 4.654 4.320 0.003 0.000 0.216 94 A C 1.809 179.455 177.584 0.104 0.000 1.152 94 A CA 1.121 53.203 52.037 0.075 0.000 0.708 94 A CB -0.742 18.284 19.000 0.044 0.000 0.805 94 A HN 0.508 nan 8.150 nan 0.000 0.460 95 G N -2.084 106.780 108.800 0.106 0.000 2.295 95 G HA2 -0.267 3.695 3.960 0.003 0.000 0.287 95 G HA3 -0.267 3.695 3.960 0.003 0.000 0.287 95 G C -0.180 174.840 174.900 0.199 0.000 1.055 95 G CA 0.350 45.543 45.100 0.155 0.000 0.922 95 G HN 0.814 nan 8.290 nan 0.000 0.503 96 W N 0.606 121.745 121.300 -0.269 0.000 2.393 96 W HA 0.624 5.287 4.660 0.004 0.000 0.315 96 W C -0.912 175.296 176.519 -0.518 0.000 1.009 96 W CA -0.850 56.346 57.345 -0.247 0.000 1.313 96 W CB 1.087 30.449 29.460 -0.164 0.000 1.269 96 W HN 0.330 nan 8.180 nan 0.000 0.420 97 H N 4.759 123.568 119.070 -0.435 0.000 2.761 97 H HA 0.235 4.793 4.556 0.003 0.000 0.263 97 H C -2.201 172.829 175.328 -0.496 0.000 1.292 97 H CA -1.412 54.433 56.048 -0.338 0.000 1.540 97 H CB 0.983 30.680 29.762 -0.109 0.000 1.569 97 H HN 0.075 nan 8.280 nan 0.000 0.510 98 P HA 0.064 nan 4.420 nan 0.000 0.260 98 P C 0.832 178.001 177.300 -0.219 0.000 1.185 98 P CA 0.559 63.354 63.100 -0.507 0.000 0.763 98 P CB 0.841 32.362 31.700 -0.299 0.000 0.776 99 E N 2.466 122.551 120.200 -0.191 0.000 2.364 99 E HA 0.019 4.370 4.350 0.003 0.000 0.203 99 E C 0.700 177.263 176.600 -0.062 0.000 0.888 99 E CA 0.270 56.612 56.400 -0.097 0.000 0.989 99 E CB -0.559 29.093 29.700 -0.081 0.000 0.985 99 E HN 0.686 nan 8.360 nan 0.000 0.499 100 N N 0.032 118.696 118.700 -0.059 0.000 2.434 100 N HA 0.223 4.965 4.740 0.003 0.000 0.266 100 N C 0.383 175.890 175.510 -0.004 0.000 1.223 100 N CA 0.173 53.210 53.050 -0.021 0.000 0.972 100 N CB 1.132 39.615 38.487 -0.006 0.000 1.207 100 N HN 0.007 nan 8.380 nan 0.000 0.525 101 D N -0.755 119.651 120.400 0.009 0.000 2.104 101 D HA -0.218 4.424 4.640 0.003 0.000 0.194 101 D C 1.378 177.701 176.300 0.038 0.000 0.994 101 D CA 1.347 55.358 54.000 0.019 0.000 0.830 101 D CB 0.040 40.851 40.800 0.018 0.000 0.959 101 D HN 0.716 nan 8.370 nan 0.000 0.452 102 E N 0.429 120.659 120.200 0.051 0.000 2.051 102 E HA -0.167 4.185 4.350 0.003 0.000 0.192 102 E C 1.528 178.202 176.600 0.124 0.000 0.991 102 E CA 1.548 57.997 56.400 0.080 0.000 0.799 102 E CB -0.323 29.430 29.700 0.089 0.000 0.748 102 E HN 0.284 nan 8.360 nan 0.000 0.449 103 D N -0.069 120.413 120.400 0.137 0.000 2.144 103 D HA -0.148 4.494 4.640 0.003 0.000 0.199 103 D C 1.933 178.333 176.300 0.168 0.000 0.984 103 D CA 0.939 55.073 54.000 0.223 0.000 0.834 103 D CB -0.168 40.656 40.800 0.041 0.000 0.955 103 D HN 0.373 nan 8.370 nan 0.000 0.465 104 Q N 0.040 119.881 119.800 0.069 0.000 2.049 104 Q HA -0.075 4.267 4.340 0.003 0.000 0.198 104 Q C 2.409 178.456 176.000 0.078 0.000 0.971 104 Q CA 1.250 57.088 55.803 0.058 0.000 0.833 104 Q CB 0.043 28.796 28.738 0.024 0.000 0.896 104 Q HN 0.334 nan 8.270 nan 0.000 0.434 105 V N -1.391 118.564 119.914 0.069 0.000 2.970 105 V HA -0.021 4.100 4.120 0.003 0.000 0.260 105 V C 1.488 177.619 176.094 0.062 0.000 1.100 105 V CA 1.102 63.436 62.300 0.056 0.000 1.122 105 V CB -0.202 31.646 31.823 0.042 0.000 0.721 105 V HN 0.174 nan 8.190 nan 0.000 0.483 106 R N 0.619 121.173 120.500 0.089 0.000 2.334 106 R HA 0.288 4.630 4.340 0.003 0.000 0.216 106 R C 0.271 176.605 176.300 0.057 0.000 0.905 106 R CA 0.256 56.395 56.100 0.064 0.000 1.064 106 R CB -0.074 30.267 30.300 0.070 0.000 1.046 106 R HN 0.560 nan 8.270 nan 0.000 0.508 107 T N 0.442 115.070 114.554 0.124 0.000 2.770 107 T HA 0.609 4.960 4.350 0.003 0.000 0.283 107 T C 0.280 175.035 174.700 0.092 0.000 0.988 107 T CA -0.508 61.675 62.100 0.140 0.000 0.957 107 T CB 2.196 71.268 68.868 0.341 0.000 0.930 107 T HN 0.207 nan 8.240 nan 0.000 0.443 108 G N 1.298 110.129 108.800 0.052 0.000 3.016 108 G HA2 0.761 4.723 3.960 0.003 0.000 0.270 108 G HA3 0.761 4.723 3.960 0.003 0.000 0.270 108 G C -1.328 173.601 174.900 0.049 0.000 1.352 108 G CA -0.752 44.379 45.100 0.051 0.000 1.060 108 G HN 0.666 nan 8.290 nan 0.000 0.538 109 V N -0.121 119.826 119.914 0.055 0.000 2.808 109 V HA 0.578 4.699 4.120 0.003 0.000 0.308 109 V C -0.877 175.252 176.094 0.058 0.000 1.099 109 V CA -0.531 61.800 62.300 0.052 0.000 0.920 109 V CB 1.867 33.731 31.823 0.069 0.000 1.014 109 V HN 0.666 nan 8.190 nan 0.000 0.425 110 L N 5.867 127.108 121.223 0.030 0.000 2.529 110 L HA 0.629 4.971 4.340 0.003 0.000 0.258 110 L C -1.520 175.347 176.870 -0.006 0.000 1.032 110 L CA -0.045 54.805 54.840 0.016 0.000 0.899 110 L CB 0.801 42.847 42.059 -0.022 0.000 1.174 110 L HN 0.611 nan 8.230 nan 0.000 0.458 111 I N 3.364 123.947 120.570 0.021 0.000 2.406 111 I HA 0.551 4.722 4.170 0.003 0.000 0.290 111 I C 0.662 176.799 176.117 0.033 0.000 0.999 111 I CA -0.502 60.812 61.300 0.023 0.000 1.124 111 I CB 1.957 39.987 38.000 0.050 0.000 1.289 111 I HN 0.532 nan 8.210 nan 0.000 0.441 112 G N 3.012 111.820 108.800 0.014 0.000 2.491 112 G HA2 0.652 4.613 3.960 0.003 0.000 0.327 112 G HA3 0.652 4.613 3.960 0.003 0.000 0.327 112 G C -1.168 173.745 174.900 0.021 0.000 1.189 112 G CA -0.392 44.715 45.100 0.011 0.000 0.956 112 G HN 0.495 nan 8.290 nan 0.000 0.491 113 S N -1.888 113.803 115.700 -0.015 0.000 2.541 113 S HA 0.588 5.060 4.470 0.003 0.000 0.271 113 S C 0.963 175.508 174.600 -0.092 0.000 1.133 113 S CA 0.263 58.421 58.200 -0.070 0.000 0.876 113 S CB 1.464 64.552 63.200 -0.187 0.000 1.105 113 S HN 1.028 nan 8.310 nan 0.000 0.470 114 G N 1.908 110.652 108.800 -0.095 0.000 2.426 114 G HA2 0.118 4.079 3.960 0.003 0.000 0.214 114 G HA3 0.118 4.079 3.960 0.003 0.000 0.214 114 G C 1.078 175.932 174.900 -0.078 0.000 1.156 114 G CA 0.911 45.973 45.100 -0.064 0.000 0.802 114 G HN 0.945 nan 8.290 nan 0.000 0.534 115 I N -3.539 116.951 120.570 -0.133 0.000 4.456 115 I HA 0.452 4.624 4.170 0.003 0.000 0.329 115 I C 1.369 177.322 176.117 -0.272 0.000 1.313 115 I CA 0.654 61.876 61.300 -0.131 0.000 1.205 115 I CB 0.481 38.468 38.000 -0.020 0.000 1.179 115 I HN 0.317 nan 8.210 nan 0.000 0.419 116 G N 2.206 110.685 108.800 -0.534 0.000 2.591 116 G HA2 -0.353 3.609 3.960 0.003 0.000 0.298 116 G HA3 -0.353 3.609 3.960 0.003 0.000 0.298 116 G C 0.753 175.195 174.900 -0.763 0.000 1.195 116 G CA 0.189 44.620 45.100 -1.115 0.000 0.989 116 G HN 0.870 nan 8.290 nan 0.000 0.551 117 G N -0.052 108.538 108.800 -0.350 0.000 3.562 117 G HA2 0.457 4.419 3.960 0.003 0.000 0.279 117 G HA3 0.457 4.419 3.960 0.003 0.000 0.279 117 G C 1.336 176.247 174.900 0.019 0.000 1.314 117 G CA 0.764 45.882 45.100 0.031 0.000 1.189 117 G HN 1.008 nan 8.290 nan 0.000 0.562 118 I N -0.556 119.993 120.570 -0.036 0.000 2.248 118 I HA -0.210 3.961 4.170 0.003 0.000 0.248 118 I C 2.389 178.501 176.117 -0.008 0.000 1.107 118 I CA 1.892 63.182 61.300 -0.018 0.000 1.373 118 I CB 0.130 38.116 38.000 -0.023 0.000 1.055 118 I HN 0.472 nan 8.210 nan 0.000 0.418 119 E N 0.459 120.659 120.200 0.000 0.000 2.028 119 E HA -0.192 4.160 4.350 0.003 0.000 0.191 119 E C 2.155 178.757 176.600 0.003 0.000 0.988 119 E CA 1.367 57.758 56.400 -0.015 0.000 0.799 119 E CB -0.407 29.287 29.700 -0.010 0.000 0.755 119 E HN 0.589 nan 8.360 nan 0.000 0.447 120 G N 0.888 109.726 108.800 0.064 0.000 2.443 120 G HA2 -0.174 3.787 3.960 0.003 0.000 0.219 120 G HA3 -0.174 3.787 3.960 0.003 0.000 0.219 120 G C 1.565 176.555 174.900 0.149 0.000 1.131 120 G CA 0.530 45.694 45.100 0.107 0.000 0.775 120 G HN 0.247 nan 8.290 nan 0.000 0.547 121 I N 0.318 120.987 120.570 0.165 0.000 2.202 121 I HA -0.148 4.024 4.170 0.003 0.000 0.242 121 I C 2.746 178.835 176.117 -0.046 0.000 1.091 121 I CA 0.442 61.876 61.300 0.222 0.000 1.368 121 I CB -0.184 37.915 38.000 0.166 0.000 1.058 121 I HN 0.015 nan 8.210 nan 0.000 0.410 122 V N 0.752 120.584 119.914 -0.137 0.000 2.287 122 V HA -0.275 3.847 4.120 0.003 0.000 0.248 122 V C 2.517 178.236 176.094 -0.625 0.000 1.053 122 V CA 1.815 63.882 62.300 -0.388 0.000 1.027 122 V CB -0.647 30.980 31.823 -0.327 0.000 0.646 122 V HN 0.417 nan 8.190 nan 0.000 0.447 123 E N 0.323 120.334 120.200 -0.314 0.000 2.077 123 E HA -0.200 4.152 4.350 0.003 0.000 0.193 123 E C 2.365 178.859 176.600 -0.176 0.000 0.989 123 E CA 1.571 57.868 56.400 -0.170 0.000 0.800 123 E CB -0.574 29.123 29.700 -0.005 0.000 0.746 123 E HN 0.591 nan 8.360 nan 0.000 0.452 124 A N 1.236 123.911 122.820 -0.243 0.000 1.933 124 A HA -0.066 4.256 4.320 0.003 0.000 0.218 124 A C 2.502 179.860 177.584 -0.378 0.000 1.175 124 A CA 1.826 53.608 52.037 -0.426 0.000 0.628 124 A CB -1.065 17.299 19.000 -1.061 0.000 0.814 124 A HN 0.335 nan 8.150 nan 0.000 0.444 125 G N -1.132 107.455 108.800 -0.355 0.000 2.440 125 G HA2 -0.245 3.717 3.960 0.003 0.000 0.218 125 G HA3 -0.245 3.717 3.960 0.003 0.000 0.218 125 G C 1.418 176.251 174.900 -0.112 0.000 1.154 125 G CA 1.309 46.256 45.100 -0.255 0.000 0.767 125 G HN 0.519 nan 8.290 nan 0.000 0.552 126 Y N 1.292 121.546 120.300 -0.077 0.000 2.181 126 Y HA -0.064 4.488 4.550 0.003 0.000 0.288 126 Y C 3.269 179.132 175.900 -0.062 0.000 1.146 126 Y CA 1.081 59.148 58.100 -0.055 0.000 1.164 126 Y CB -1.291 37.146 38.460 -0.038 0.000 0.982 126 Y HN 0.106 nan 8.280 nan 0.000 0.515 127 T N 0.917 115.510 114.554 0.064 0.000 2.720 127 T HA -0.197 4.154 4.350 0.003 0.000 0.268 127 T C 2.059 176.744 174.700 -0.025 0.000 1.037 127 T CA 1.464 63.565 62.100 0.002 0.000 1.144 127 T CB -0.735 68.106 68.868 -0.046 0.000 0.864 127 T HN 0.204 nan 8.240 nan 0.000 0.444 128 L N 1.263 122.445 121.223 -0.068 0.000 1.989 128 L HA -0.054 4.287 4.340 0.003 0.000 0.211 128 L C 2.497 179.356 176.870 -0.019 0.000 1.071 128 L CA 1.933 56.735 54.840 -0.064 0.000 0.749 128 L CB -0.533 41.466 42.059 -0.100 0.000 0.890 128 L HN 0.065 nan 8.230 nan 0.000 0.431 129 R N -0.947 119.558 120.500 0.008 0.000 2.075 129 R HA -0.134 4.208 4.340 0.003 0.000 0.232 129 R C 1.804 178.115 176.300 0.018 0.000 1.126 129 R CA 1.796 57.910 56.100 0.023 0.000 0.963 129 R CB -0.175 30.157 30.300 0.054 0.000 0.858 129 R HN 0.480 nan 8.270 nan 0.000 0.435 130 D N -0.518 119.897 120.400 0.026 0.000 2.183 130 D HA -0.040 4.602 4.640 0.003 0.000 0.205 130 D C 1.768 178.071 176.300 0.006 0.000 0.962 130 D CA 1.693 55.700 54.000 0.013 0.000 0.849 130 D CB 0.115 40.923 40.800 0.012 0.000 0.978 130 D HN 0.322 nan 8.370 nan 0.000 0.488 131 K N 0.433 120.836 120.400 0.005 0.000 2.370 131 K HA 0.493 4.815 4.320 0.003 0.000 0.194 131 K C 1.023 177.621 176.600 -0.004 0.000 1.070 131 K CA 0.719 57.007 56.287 0.001 0.000 0.998 131 K CB 0.439 32.941 32.500 0.003 0.000 0.911 131 K HN 0.384 nan 8.250 nan 0.000 0.533 132 G N -0.019 108.776 108.800 -0.008 0.000 2.619 132 G HA2 -0.063 3.899 3.960 0.003 0.000 0.686 132 G HA3 -0.063 3.899 3.960 0.003 0.000 0.686 132 G C -2.202 172.686 174.900 -0.019 0.000 1.256 132 G CA -0.121 44.973 45.100 -0.011 0.000 0.826 132 G HN 0.063 nan 8.290 nan 0.000 0.619 133 P HA -0.070 nan 4.420 nan 0.000 0.222 133 P C 1.512 178.803 177.300 -0.014 0.000 1.147 133 P CA 0.952 64.040 63.100 -0.021 0.000 0.790 133 P CB 0.052 31.744 31.700 -0.012 0.000 0.780 134 R N -0.427 120.067 120.500 -0.009 0.000 2.235 134 R HA 0.064 4.406 4.340 0.003 0.000 0.213 134 R C 1.953 178.252 176.300 -0.003 0.000 1.059 134 R CA 0.520 56.617 56.100 -0.004 0.000 0.997 134 R CB -0.156 30.143 30.300 -0.002 0.000 0.884 134 R HN 0.094 nan 8.270 nan 0.000 0.462 135 R N 0.476 120.972 120.500 -0.007 0.000 2.359 135 R HA 0.171 4.513 4.340 0.003 0.000 0.231 135 R C 0.176 176.471 176.300 -0.008 0.000 0.913 135 R CA -0.017 56.082 56.100 -0.002 0.000 1.075 135 R CB 0.316 30.616 30.300 -0.001 0.000 1.087 135 R HN 0.070 nan 8.270 nan 0.000 0.515 136 I N 1.682 122.238 120.570 -0.022 0.000 2.556 136 I HA -0.043 4.129 4.170 0.003 0.000 0.284 136 I C 1.134 177.267 176.117 0.027 0.000 1.114 136 I CA 0.047 61.326 61.300 -0.035 0.000 1.418 136 I CB 0.753 38.715 38.000 -0.063 0.000 1.394 136 I HN -0.050 nan 8.210 nan 0.000 0.552 137 S N 8.169 123.913 115.700 0.073 0.000 2.562 137 S HA 0.155 4.626 4.470 0.003 0.000 0.281 137 S C -1.267 173.388 174.600 0.090 0.000 1.333 137 S CA -0.898 57.377 58.200 0.125 0.000 1.052 137 S CB 0.752 64.087 63.200 0.225 0.000 0.884 137 S HN 0.393 nan 8.310 nan 0.000 0.506 138 P HA -0.038 nan 4.420 nan 0.000 0.221 138 P C 0.310 177.415 177.300 -0.325 0.000 1.145 138 P CA 1.165 64.112 63.100 -0.254 0.000 0.795 138 P CB -0.001 31.413 31.700 -0.476 0.000 0.775 139 F N -3.069 116.937 119.950 0.092 0.000 2.797 139 F HA 0.136 4.664 4.527 0.003 0.000 0.302 139 F C 1.892 177.756 175.800 0.107 0.000 1.130 139 F CA -0.214 57.834 58.000 0.080 0.000 1.387 139 F CB -0.936 38.104 39.000 0.067 0.000 1.107 139 F HN -0.145 nan 8.300 nan 0.000 0.577 140 F N 1.268 121.289 119.950 0.118 0.000 2.046 140 F HA -0.251 4.278 4.527 0.003 0.000 0.297 140 F C 2.069 177.916 175.800 0.078 0.000 1.123 140 F CA 1.566 59.618 58.000 0.086 0.000 1.199 140 F CB -0.548 38.479 39.000 0.044 0.000 0.972 140 F HN -0.146 nan 8.300 nan 0.000 0.474 141 I N 1.977 122.316 120.570 -0.386 0.000 2.090 141 I HA -0.187 3.984 4.170 0.003 0.000 0.236 141 I C -0.175 175.822 176.117 -0.200 0.000 1.064 141 I CA 1.820 62.846 61.300 -0.457 0.000 1.324 141 I CB -3.021 34.833 38.000 -0.245 0.000 1.044 141 I HN 0.145 nan 8.210 nan 0.000 0.399 142 P HA -0.103 nan 4.420 nan 0.000 0.218 142 P C 1.526 178.872 177.300 0.077 0.000 1.149 142 P CA 1.681 64.806 63.100 0.041 0.000 0.817 142 P CB -0.280 31.483 31.700 0.105 0.000 0.785 143 G N -0.709 108.139 108.800 0.081 0.000 2.679 143 G HA2 -0.147 3.815 3.960 0.003 0.000 0.212 143 G HA3 -0.147 3.815 3.960 0.003 0.000 0.212 143 G C 1.598 176.525 174.900 0.045 0.000 1.137 143 G CA 0.193 45.324 45.100 0.052 0.000 0.787 143 G HN 0.164 nan 8.290 nan 0.000 0.534 144 R N -1.013 119.512 120.500 0.042 0.000 2.446 144 R HA 0.376 4.717 4.340 0.003 0.000 0.254 144 R C 0.576 176.966 176.300 0.151 0.000 0.918 144 R CA -0.368 55.801 56.100 0.114 0.000 1.069 144 R CB -0.048 30.204 30.300 -0.079 0.000 1.194 144 R HN 0.227 nan 8.270 nan 0.000 0.534 145 L N 0.914 122.206 121.223 0.115 0.000 2.416 145 L HA 0.176 4.518 4.340 0.003 0.000 0.272 145 L C 1.453 178.470 176.870 0.245 0.000 1.161 145 L CA -0.089 54.813 54.840 0.105 0.000 0.845 145 L CB 0.712 42.804 42.059 0.055 0.000 1.119 145 L HN 0.049 nan 8.230 nan 0.000 0.464 146 I N 2.454 123.104 120.570 0.133 0.000 2.208 146 I HA -0.307 3.864 4.170 0.003 0.000 0.245 146 I C 2.131 178.390 176.117 0.236 0.000 1.097 146 I CA 1.316 62.706 61.300 0.150 0.000 1.363 146 I CB -0.271 37.716 38.000 -0.022 0.000 1.051 146 I HN 0.854 nan 8.210 nan 0.000 0.413 147 N N 1.232 120.021 118.700 0.149 0.000 2.550 147 N HA -0.136 4.606 4.740 0.003 0.000 0.186 147 N C 1.520 177.115 175.510 0.141 0.000 1.110 147 N CA 0.760 53.890 53.050 0.133 0.000 0.912 147 N CB -0.223 38.324 38.487 0.101 0.000 0.968 147 N HN 0.327 nan 8.380 nan 0.000 0.448 148 L N 0.378 121.700 121.223 0.165 0.000 2.552 148 L HA 0.163 4.504 4.340 0.003 0.000 0.227 148 L C 2.296 179.262 176.870 0.159 0.000 1.146 148 L CA 0.564 55.504 54.840 0.167 0.000 0.858 148 L CB -1.045 41.118 42.059 0.173 0.000 0.969 148 L HN 0.205 nan 8.230 nan 0.000 0.451 149 A N -0.458 122.427 122.820 0.108 0.000 1.855 149 A HA -0.156 4.165 4.320 0.003 0.000 0.215 149 A C 2.522 180.167 177.584 0.103 0.000 1.191 149 A CA 1.790 53.854 52.037 0.046 0.000 0.613 149 A CB -0.455 18.605 19.000 0.101 0.000 0.829 149 A HN 0.374 nan 8.150 nan 0.000 0.442 150 S N -0.236 115.531 115.700 0.112 0.000 2.374 150 S HA -0.121 4.350 4.470 0.003 0.000 0.227 150 S C 2.058 176.719 174.600 0.102 0.000 1.037 150 S CA 1.308 59.569 58.200 0.102 0.000 1.024 150 S CB -0.761 62.498 63.200 0.098 0.000 0.861 150 S HN 0.791 nan 8.310 nan 0.000 0.456 151 G N 1.299 110.162 108.800 0.105 0.000 2.459 151 G HA2 -0.239 3.723 3.960 0.003 0.000 0.217 151 G HA3 -0.239 3.723 3.960 0.003 0.000 0.217 151 G C 1.201 176.126 174.900 0.041 0.000 1.183 151 G CA 0.787 45.925 45.100 0.064 0.000 0.776 151 G HN 0.535 nan 8.290 nan 0.000 0.552 152 H N -0.289 118.785 119.070 0.007 0.000 2.353 152 H HA -0.034 4.524 4.556 0.003 0.000 0.300 152 H C 2.859 178.203 175.328 0.027 0.000 1.090 152 H CA 1.321 57.367 56.048 -0.002 0.000 1.327 152 H CB -0.017 29.725 29.762 -0.034 0.000 1.383 152 H HN 0.199 nan 8.280 nan 0.000 0.508 153 V N 0.316 120.338 119.914 0.180 0.000 2.295 153 V HA -0.245 3.876 4.120 0.003 0.000 0.246 153 V C 2.757 178.956 176.094 0.175 0.000 1.049 153 V CA 1.852 64.265 62.300 0.190 0.000 1.024 153 V CB -0.563 31.355 31.823 0.158 0.000 0.648 153 V HN 0.391 nan 8.190 nan 0.000 0.447 154 S N -0.214 115.555 115.700 0.116 0.000 2.359 154 S HA -0.193 4.279 4.470 0.003 0.000 0.224 154 S C 1.924 176.559 174.600 0.058 0.000 1.035 154 S CA 1.978 60.232 58.200 0.090 0.000 1.018 154 S CB -0.399 62.838 63.200 0.061 0.000 0.876 154 S HN 0.515 nan 8.310 nan 0.000 0.448 155 I N 1.211 121.789 120.570 0.014 0.000 2.226 155 I HA -0.151 4.021 4.170 0.003 0.000 0.245 155 I C 2.671 178.762 176.117 -0.042 0.000 1.100 155 I CA 1.520 62.802 61.300 -0.030 0.000 1.374 155 I CB -0.339 37.607 38.000 -0.089 0.000 1.057 155 I HN 0.337 nan 8.210 nan 0.000 0.413 156 K N 0.135 120.502 120.400 -0.056 0.000 2.057 156 K HA -0.176 4.146 4.320 0.003 0.000 0.207 156 K C 1.644 178.069 176.600 -0.292 0.000 1.049 156 K CA 1.414 57.586 56.287 -0.191 0.000 0.931 156 K CB 0.028 32.377 32.500 -0.251 0.000 0.714 156 K HN 0.415 nan 8.250 nan 0.000 0.440 157 H N 0.231 119.328 119.070 0.045 0.000 2.542 157 H HA 0.166 4.724 4.556 0.003 0.000 0.283 157 H C -0.413 174.928 175.328 0.021 0.000 1.059 157 H CA 0.196 56.273 56.048 0.049 0.000 1.162 157 H CB 0.582 30.389 29.762 0.075 0.000 1.539 157 H HN 0.168 nan 8.280 nan 0.000 0.543 158 K N 0.857 121.305 120.400 0.080 0.000 3.096 158 K HA -0.159 4.163 4.320 0.003 0.000 0.266 158 K C -0.608 176.028 176.600 0.060 0.000 1.043 158 K CA 0.164 56.478 56.287 0.045 0.000 0.758 158 K CB -1.987 30.524 32.500 0.019 0.000 1.260 158 K HN 0.254 nan 8.250 nan 0.000 0.481 159 L N 0.905 122.178 121.223 0.085 0.000 2.261 159 L HA 0.268 4.610 4.340 0.003 0.000 0.289 159 L C 1.304 178.213 176.870 0.065 0.000 1.059 159 L CA -0.304 54.590 54.840 0.090 0.000 0.816 159 L CB 0.802 42.928 42.059 0.111 0.000 1.191 159 L HN 0.176 nan 8.230 nan 0.000 0.431 160 R N 1.545 122.080 120.500 0.059 0.000 2.437 160 R HA 0.193 4.535 4.340 0.003 0.000 0.257 160 R C 1.063 177.386 176.300 0.039 0.000 0.927 160 R CA -0.169 55.956 56.100 0.041 0.000 1.078 160 R CB 0.979 31.299 30.300 0.033 0.000 1.161 160 R HN 0.788 nan 8.270 nan 0.000 0.529 161 G N 1.802 110.632 108.800 0.049 0.000 2.525 161 G HA2 0.150 4.112 3.960 0.003 0.000 0.276 161 G HA3 0.150 4.112 3.960 0.003 0.000 0.276 161 G C -2.223 172.697 174.900 0.033 0.000 1.388 161 G CA -0.975 44.148 45.100 0.038 0.000 1.050 161 G HN -0.107 nan 8.290 nan 0.000 0.520 162 P HA -0.002 nan 4.420 nan 0.000 0.260 162 P C -0.545 176.788 177.300 0.054 0.000 1.172 162 P CA 0.375 63.493 63.100 0.031 0.000 0.760 162 P CB 0.337 32.063 31.700 0.043 0.000 0.773 163 N N 3.204 121.932 118.700 0.046 0.000 2.476 163 N HA 0.231 4.972 4.740 0.003 0.000 0.257 163 N C -1.320 174.255 175.510 0.109 0.000 0.970 163 N CA -0.221 52.872 53.050 0.071 0.000 0.938 163 N CB 0.150 38.665 38.487 0.046 0.000 1.144 163 N HN 0.357 nan 8.380 nan 0.000 0.500 164 H N 0.951 120.034 119.070 0.022 0.000 2.977 164 H HA 0.701 5.258 4.556 0.002 0.000 0.350 164 H C -1.554 173.789 175.328 0.025 0.000 1.238 164 H CA -0.600 55.460 56.048 0.020 0.000 1.124 164 H CB 1.879 31.649 29.762 0.014 0.000 1.866 164 H HN 0.438 nan 8.280 nan 0.000 0.550 165 S N 1.299 117.144 115.700 0.242 0.000 2.535 165 S HA 0.614 5.086 4.470 0.003 0.000 0.272 165 S C -1.444 173.117 174.600 -0.065 0.000 1.149 165 S CA -0.124 58.098 58.200 0.036 0.000 0.888 165 S CB 0.441 63.698 63.200 0.094 0.000 1.110 165 S HN 0.697 nan 8.310 nan 0.000 0.463 166 V N 1.085 120.943 119.914 -0.093 0.000 3.074 166 V HA 1.007 5.128 4.120 0.003 0.000 0.314 166 V C -0.727 175.340 176.094 -0.045 0.000 1.117 166 V CA -0.734 61.508 62.300 -0.096 0.000 1.014 166 V CB 1.615 33.359 31.823 -0.132 0.000 1.057 166 V HN 0.948 nan 8.190 nan 0.000 0.438 167 V N 2.842 122.728 119.914 -0.047 0.000 2.555 167 V HA 0.647 4.769 4.120 0.003 0.000 0.283 167 V C 0.119 176.201 176.094 -0.020 0.000 1.020 167 V CA 0.799 63.083 62.300 -0.027 0.000 0.883 167 V CB 1.731 33.538 31.823 -0.027 0.000 1.030 167 V HN 1.410 nan 8.190 nan 0.000 0.448 168 T N 3.273 117.837 114.554 0.017 0.000 3.633 168 T HA 0.732 5.084 4.350 0.003 0.000 0.278 168 T C 0.747 175.511 174.700 0.107 0.000 0.991 168 T CA 0.796 62.931 62.100 0.059 0.000 1.036 168 T CB 0.683 69.599 68.868 0.081 0.000 1.148 168 T HN 2.208 nan 8.240 nan 0.000 0.501 169 A N 0.859 123.721 122.820 0.070 0.000 5.391 169 A HA -0.319 4.003 4.320 0.003 0.000 0.315 169 A C 1.966 179.577 177.584 0.046 0.000 1.874 169 A CA 1.387 53.460 52.037 0.060 0.000 0.714 169 A CB -1.985 17.094 19.000 0.132 0.000 1.335 169 A HN 1.205 nan 8.150 nan 0.000 0.382 170 C N 0.148 119.493 119.300 0.075 0.000 2.430 170 C HA 0.301 4.762 4.460 0.003 0.000 0.288 170 C C 2.838 177.891 174.990 0.105 0.000 1.448 170 C CA 1.244 60.349 59.018 0.146 0.000 1.784 170 C CB -2.024 25.914 27.740 0.330 0.000 1.776 170 C HN 1.392 nan 8.230 nan 0.000 0.547 171 A N 0.370 123.250 122.820 0.100 0.000 2.238 171 A HA 0.070 4.391 4.320 0.003 0.000 0.210 171 A C 2.045 179.702 177.584 0.122 0.000 1.179 171 A CA 1.131 53.212 52.037 0.073 0.000 0.827 171 A CB -0.664 18.422 19.000 0.142 0.000 0.856 171 A HN 0.477 nan 8.150 nan 0.000 0.488 172 T N 0.279 114.905 114.554 0.120 0.000 2.665 172 T HA -0.168 4.184 4.350 0.003 0.000 0.268 172 T C 1.981 176.714 174.700 0.055 0.000 1.035 172 T CA 1.905 64.068 62.100 0.105 0.000 1.151 172 T CB -0.550 68.338 68.868 0.034 0.000 0.862 172 T HN 0.570 nan 8.240 nan 0.000 0.438 173 G N 0.495 109.295 108.800 -0.001 0.000 2.432 173 G HA2 -0.183 3.779 3.960 0.003 0.000 0.219 173 G HA3 -0.183 3.779 3.960 0.003 0.000 0.219 173 G C 1.679 176.536 174.900 -0.073 0.000 1.135 173 G CA 1.390 46.462 45.100 -0.047 0.000 0.767 173 G HN 0.468 nan 8.290 nan 0.000 0.550 174 T N 0.031 114.539 114.554 -0.077 0.000 2.809 174 T HA -0.011 4.341 4.350 0.003 0.000 0.260 174 T C 2.008 176.637 174.700 -0.119 0.000 1.039 174 T CA 1.230 63.254 62.100 -0.126 0.000 1.141 174 T CB -0.355 68.418 68.868 -0.157 0.000 0.869 174 T HN 0.472 nan 8.240 nan 0.000 0.437 175 H N 1.059 120.139 119.070 0.016 0.000 2.387 175 H HA 0.027 4.584 4.556 0.002 0.000 0.299 175 H C 2.454 177.720 175.328 -0.104 0.000 1.099 175 H CA 1.319 57.404 56.048 0.063 0.000 1.315 175 H CB -0.165 29.648 29.762 0.085 0.000 1.380 175 H HN 0.370 nan 8.280 nan 0.000 0.513 176 A N 0.581 123.407 122.820 0.010 0.000 1.902 176 A HA -0.131 4.191 4.320 0.003 0.000 0.217 176 A C 2.343 179.841 177.584 -0.143 0.000 1.181 176 A CA 1.466 53.460 52.037 -0.071 0.000 0.623 176 A CB -0.558 18.406 19.000 -0.060 0.000 0.818 176 A HN 0.350 nan 8.150 nan 0.000 0.443 177 I N -0.460 120.000 120.570 -0.183 0.000 2.252 177 I HA -0.147 4.025 4.170 0.003 0.000 0.245 177 I C 2.725 178.626 176.117 -0.360 0.000 1.102 177 I CA 0.998 62.162 61.300 -0.228 0.000 1.385 177 I CB -0.649 37.230 38.000 -0.202 0.000 1.064 177 I HN 0.388 nan 8.210 nan 0.000 0.414 178 G N 0.630 109.040 108.800 -0.650 0.000 2.446 178 G HA2 -0.262 3.700 3.960 0.003 0.000 0.217 178 G HA3 -0.262 3.700 3.960 0.003 0.000 0.217 178 G C 1.250 175.704 174.900 -0.744 0.000 1.168 178 G CA 1.117 45.407 45.100 -1.351 0.000 0.771 178 G HN 0.276 nan 8.290 nan 0.000 0.551 179 D N 0.792 120.962 120.400 -0.382 0.000 2.144 179 D HA 0.036 4.678 4.640 0.003 0.000 0.200 179 D C 2.794 179.051 176.300 -0.072 0.000 0.978 179 D CA 1.105 55.067 54.000 -0.063 0.000 0.833 179 D CB -0.419 40.368 40.800 -0.022 0.000 0.961 179 D HN 0.304 nan 8.370 nan 0.000 0.470 180 A N 0.924 123.673 122.820 -0.119 0.000 1.930 180 A HA -0.004 4.317 4.320 0.003 0.000 0.217 180 A C 2.284 179.816 177.584 -0.088 0.000 1.175 180 A CA 1.950 53.937 52.037 -0.084 0.000 0.627 180 A CB -0.614 18.330 19.000 -0.094 0.000 0.815 180 A HN 0.222 nan 8.150 nan 0.000 0.443 181 A N -0.079 122.664 122.820 -0.128 0.000 1.933 181 A HA -0.149 4.173 4.320 0.003 0.000 0.218 181 A C 2.228 179.780 177.584 -0.054 0.000 1.175 181 A CA 1.479 53.454 52.037 -0.104 0.000 0.628 181 A CB -0.426 18.496 19.000 -0.131 0.000 0.814 181 A HN 0.553 nan 8.150 nan 0.000 0.444 182 R N -0.591 119.892 120.500 -0.028 0.000 2.092 182 R HA 0.020 4.362 4.340 0.003 0.000 0.231 182 R C 1.978 178.288 176.300 0.017 0.000 1.119 182 R CA 1.192 57.307 56.100 0.025 0.000 0.970 182 R CB -0.493 29.859 30.300 0.087 0.000 0.864 182 R HN 0.490 nan 8.270 nan 0.000 0.440 183 L N 0.459 121.688 121.223 0.010 0.000 2.079 183 L HA -0.217 4.125 4.340 0.003 0.000 0.210 183 L C 2.290 179.153 176.870 -0.012 0.000 1.081 183 L CA 1.377 56.224 54.840 0.012 0.000 0.752 183 L CB -0.347 41.724 42.059 0.019 0.000 0.896 183 L HN 0.201 nan 8.230 nan 0.000 0.433 184 I N -0.586 119.963 120.570 -0.035 0.000 2.233 184 I HA -0.225 3.947 4.170 0.003 0.000 0.243 184 I C 2.805 178.900 176.117 -0.037 0.000 1.093 184 I CA 0.998 62.264 61.300 -0.055 0.000 1.380 184 I CB -0.510 37.438 38.000 -0.087 0.000 1.067 184 I HN 0.166 nan 8.210 nan 0.000 0.413 185 A N 0.785 123.591 122.820 -0.023 0.000 1.917 185 A HA -0.257 4.065 4.320 0.003 0.000 0.219 185 A C 2.473 180.057 177.584 -0.000 0.000 1.182 185 A CA 2.419 54.451 52.037 -0.008 0.000 0.633 185 A CB -1.576 17.428 19.000 0.006 0.000 0.819 185 A HN 0.469 nan 8.150 nan 0.000 0.448 186 F N -1.658 118.295 119.950 0.005 0.000 2.789 186 F HA 0.415 4.943 4.527 0.003 0.000 0.300 186 F C 2.102 177.905 175.800 0.005 0.000 1.132 186 F CA 0.765 58.772 58.000 0.010 0.000 1.404 186 F CB -1.054 37.957 39.000 0.020 0.000 1.114 186 F HN 1.131 nan 8.300 nan 0.000 0.584 187 G N -0.290 108.507 108.800 -0.004 0.000 2.157 187 G HA2 -0.220 3.741 3.960 0.003 0.000 0.239 187 G HA3 -0.220 3.741 3.960 0.003 0.000 0.239 187 G C 0.543 175.440 174.900 -0.006 0.000 0.982 187 G CA 0.369 45.465 45.100 -0.007 0.000 0.650 187 G HN 0.460 nan 8.290 nan 0.000 0.527 188 D N 0.428 120.827 120.400 -0.003 0.000 2.312 188 D HA 0.361 5.003 4.640 0.003 0.000 0.211 188 D C 1.323 177.619 176.300 -0.007 0.000 0.964 188 D CA 1.604 55.604 54.000 0.001 0.000 0.877 188 D CB 0.359 41.165 40.800 0.010 0.000 0.924 188 D HN 1.045 nan 8.370 nan 0.000 0.515 189 A N 0.004 122.809 122.820 -0.025 0.000 2.612 189 A HA 0.369 4.691 4.320 0.003 0.000 0.293 189 A C -0.621 176.906 177.584 -0.096 0.000 1.075 189 A CA -0.639 51.371 52.037 -0.045 0.000 0.680 189 A CB 1.367 20.344 19.000 -0.039 0.000 1.279 189 A HN -0.253 nan 8.150 nan 0.000 0.411 190 D N -0.521 119.783 120.400 -0.160 0.000 2.388 190 D HA 0.270 4.912 4.640 0.003 0.000 0.208 190 D C -0.020 176.006 176.300 -0.457 0.000 1.035 190 D CA 1.056 54.871 54.000 -0.308 0.000 0.875 190 D CB 1.020 41.583 40.800 -0.396 0.000 0.984 190 D HN 0.248 nan 8.370 nan 0.000 0.508 191 V N 1.721 121.421 119.914 -0.357 0.000 2.760 191 V HA 0.427 4.549 4.120 0.003 0.000 0.309 191 V C -0.615 175.380 176.094 -0.165 0.000 1.077 191 V CA -0.652 61.432 62.300 -0.360 0.000 0.910 191 V CB 2.725 34.223 31.823 -0.542 0.000 1.008 191 V HN -0.075 nan 8.190 nan 0.000 0.424 192 M N 3.752 123.266 119.600 -0.144 0.000 2.327 192 M HA 0.520 5.002 4.480 0.003 0.000 0.298 192 M C -0.950 175.310 176.300 -0.066 0.000 1.065 192 M CA -0.604 54.652 55.300 -0.073 0.000 0.916 192 M CB 2.041 34.599 32.600 -0.070 0.000 1.630 192 M HN 0.363 nan 8.290 nan 0.000 0.442 193 V N 2.861 122.759 119.914 -0.026 0.000 2.385 193 V HA 0.771 4.892 4.120 0.003 0.000 0.269 193 V C 0.151 176.225 176.094 -0.034 0.000 1.043 193 V CA -0.402 61.880 62.300 -0.030 0.000 0.906 193 V CB 0.887 32.709 31.823 -0.003 0.000 0.995 193 V HN 0.943 nan 8.190 nan 0.000 0.467 194 A N 3.883 126.667 122.820 -0.059 0.000 2.475 194 A HA 1.044 5.366 4.320 0.003 0.000 0.301 194 A C 0.097 177.635 177.584 -0.077 0.000 1.059 194 A CA 0.110 52.107 52.037 -0.066 0.000 0.710 194 A CB 2.145 21.091 19.000 -0.090 0.000 1.288 194 A HN 1.424 nan 8.150 nan 0.000 0.408 195 G N -0.584 108.176 108.800 -0.067 0.000 2.455 195 G HA2 0.621 4.583 3.960 0.003 0.000 0.223 195 G HA3 0.621 4.583 3.960 0.003 0.000 0.223 195 G C -0.292 174.580 174.900 -0.047 0.000 1.226 195 G CA 0.400 45.455 45.100 -0.075 0.000 0.948 195 G HN 2.017 nan 8.290 nan 0.000 0.478 196 G N -1.352 107.421 108.800 -0.044 0.000 2.706 196 G HA2 0.732 4.693 3.960 0.003 0.000 0.297 196 G HA3 0.732 4.693 3.960 0.003 0.000 0.297 196 G C -1.297 173.605 174.900 0.002 0.000 1.403 196 G CA 0.632 45.720 45.100 -0.019 0.000 0.954 196 G HN 1.250 nan 8.290 nan 0.000 0.500 197 T N -0.482 114.103 114.554 0.051 0.000 2.916 197 T HA 0.676 5.028 4.350 0.003 0.000 0.305 197 T C -1.659 173.116 174.700 0.124 0.000 1.119 197 T CA -0.430 61.740 62.100 0.118 0.000 1.008 197 T CB 2.197 71.184 68.868 0.198 0.000 1.129 197 T HN 0.645 nan 8.240 nan 0.000 0.480 198 E N 1.075 121.371 120.200 0.161 0.000 2.335 198 E HA 0.537 4.889 4.350 0.003 0.000 0.280 198 E C -1.257 175.484 176.600 0.234 0.000 0.918 198 E CA -0.552 55.911 56.400 0.105 0.000 0.765 198 E CB 1.762 31.456 29.700 -0.010 0.000 1.218 198 E HN 0.531 nan 8.360 nan 0.000 0.425 199 S N 3.311 119.122 115.700 0.185 0.000 2.062 199 S HA 0.407 4.879 4.470 0.003 0.000 0.163 199 S C -2.203 172.470 174.600 0.121 0.000 1.612 199 S CA -0.972 57.367 58.200 0.232 0.000 1.251 199 S CB 1.003 64.301 63.200 0.164 0.000 1.174 199 S HN 0.441 nan 8.310 nan 0.000 0.428 200 P HA 0.239 nan 4.420 nan 0.000 0.266 200 P C -0.245 177.107 177.300 0.087 0.000 1.381 200 P CA -0.084 63.047 63.100 0.051 0.000 0.940 200 P CB 0.307 31.989 31.700 -0.030 0.000 1.435 201 V N 1.382 121.380 119.914 0.140 0.000 2.267 201 V HA 0.234 4.356 4.120 0.003 0.000 0.254 201 V C 0.636 176.877 176.094 0.246 0.000 1.144 201 V CA 0.222 62.666 62.300 0.238 0.000 0.992 201 V CB -0.493 31.483 31.823 0.254 0.000 1.199 201 V HN 0.284 nan 8.190 nan 0.000 0.493 202 S N 3.337 119.040 115.700 0.006 0.000 2.651 202 S HA 0.570 5.042 4.470 0.003 0.000 0.279 202 S C 0.585 174.799 174.600 -0.643 0.000 1.148 202 S CA -0.920 56.939 58.200 -0.569 0.000 0.837 202 S CB 2.244 65.274 63.200 -0.284 0.000 1.138 202 S HN 0.375 nan 8.310 nan 0.000 0.478 203 R N -0.462 119.464 120.500 -0.956 0.000 2.073 203 R HA -0.035 4.306 4.340 0.003 0.000 0.234 203 R C 2.063 178.304 176.300 -0.099 0.000 1.134 203 R CA 1.712 57.601 56.100 -0.353 0.000 0.952 203 R CB -0.569 29.592 30.300 -0.231 0.000 0.850 203 R HN 0.715 nan 8.270 nan 0.000 0.433 204 I N 0.224 120.732 120.570 -0.104 0.000 2.226 204 I HA -0.234 3.937 4.170 0.003 0.000 0.245 204 I C 2.201 178.331 176.117 0.021 0.000 1.100 204 I CA 1.689 62.974 61.300 -0.025 0.000 1.374 204 I CB -0.379 37.599 38.000 -0.036 0.000 1.057 204 I HN 0.137 nan 8.210 nan 0.000 0.413 205 S N -0.162 115.564 115.700 0.045 0.000 2.345 205 S HA -0.121 4.350 4.470 0.003 0.000 0.220 205 S C 2.043 176.807 174.600 0.275 0.000 1.031 205 S CA 1.416 59.726 58.200 0.183 0.000 0.996 205 S CB -0.497 62.814 63.200 0.186 0.000 0.882 205 S HN 0.381 nan 8.310 nan 0.000 0.445 206 L N 1.805 123.140 121.223 0.187 0.000 2.042 206 L HA 0.016 4.357 4.340 0.003 0.000 0.210 206 L C 2.798 179.763 176.870 0.158 0.000 1.076 206 L CA 1.809 56.765 54.840 0.193 0.000 0.749 206 L CB -1.046 41.141 42.059 0.213 0.000 0.893 206 L HN 0.419 nan 8.230 nan 0.000 0.432 207 A N -0.696 122.193 122.820 0.114 0.000 1.902 207 A HA -0.102 4.219 4.320 0.003 0.000 0.217 207 A C 2.416 180.036 177.584 0.060 0.000 1.181 207 A CA 1.681 53.765 52.037 0.079 0.000 0.623 207 A CB -1.352 17.682 19.000 0.057 0.000 0.818 207 A HN 0.442 nan 8.150 nan 0.000 0.443 208 G N -1.393 107.434 108.800 0.045 0.000 2.404 208 G HA2 -0.131 3.831 3.960 0.003 0.000 0.215 208 G HA3 -0.131 3.831 3.960 0.003 0.000 0.215 208 G C 1.349 176.199 174.900 -0.083 0.000 1.174 208 G CA 1.034 46.103 45.100 -0.052 0.000 0.780 208 G HN 0.434 nan 8.290 nan 0.000 0.537 209 F N 1.565 121.536 119.950 0.035 0.000 2.259 209 F HA 0.178 4.706 4.527 0.003 0.000 0.298 209 F C 2.947 178.735 175.800 -0.020 0.000 1.088 209 F CA 0.735 58.749 58.000 0.023 0.000 1.358 209 F CB -0.037 38.948 39.000 -0.024 0.000 1.040 209 F HN 0.229 nan 8.300 nan 0.000 0.505 210 A N -0.069 122.830 122.820 0.132 0.000 1.969 210 A HA -0.016 4.305 4.320 0.003 0.000 0.218 210 A C 2.371 179.985 177.584 0.049 0.000 1.169 210 A CA 1.462 53.537 52.037 0.063 0.000 0.635 210 A CB -1.095 17.936 19.000 0.053 0.000 0.810 210 A HN 0.281 nan 8.150 nan 0.000 0.445 211 A N -0.402 122.442 122.820 0.040 0.000 1.969 211 A HA -0.135 4.187 4.320 0.003 0.000 0.218 211 A C 2.060 179.659 177.584 0.026 0.000 1.169 211 A CA 1.519 53.569 52.037 0.022 0.000 0.635 211 A CB -1.249 17.753 19.000 0.004 0.000 0.810 211 A HN 1.197 nan 8.150 nan 0.000 0.445 212 C N -2.277 117.048 119.300 0.042 0.000 2.559 212 C HA 0.455 4.917 4.460 0.003 0.000 0.300 212 C C 0.591 175.641 174.990 0.100 0.000 1.288 212 C CA -0.526 58.531 59.018 0.065 0.000 1.699 212 C CB -1.037 26.749 27.740 0.076 0.000 1.819 212 C HN 0.501 nan 8.230 nan 0.000 0.600 213 K N -0.198 120.247 120.400 0.076 0.000 3.129 213 K HA -0.232 4.090 4.320 0.003 0.000 0.273 213 K C 0.894 177.540 176.600 0.077 0.000 1.123 213 K CA 1.018 57.342 56.287 0.061 0.000 0.800 213 K CB -2.232 30.299 32.500 0.051 0.000 1.238 213 K HN 0.863 nan 8.250 nan 0.000 0.492 214 A N -0.093 122.782 122.820 0.091 0.000 2.081 214 A HA 0.201 4.523 4.320 0.003 0.000 0.214 214 A C 1.048 178.436 177.584 -0.327 0.000 1.158 214 A CA 0.325 52.394 52.037 0.054 0.000 0.724 214 A CB 0.254 19.428 19.000 0.290 0.000 0.826 214 A HN 0.247 nan 8.150 nan 0.000 0.463 215 L N -0.279 120.763 121.223 -0.302 0.000 2.360 215 L HA 0.366 4.707 4.340 0.003 0.000 0.271 215 L C 0.718 177.489 176.870 -0.164 0.000 1.057 215 L CA -0.642 53.965 54.840 -0.388 0.000 0.803 215 L CB 1.545 43.440 42.059 -0.273 0.000 1.207 215 L HN 0.140 nan 8.230 nan 0.000 0.445 216 S N -0.037 115.590 115.700 -0.122 0.000 2.549 216 S HA 0.084 4.556 4.470 0.003 0.000 0.286 216 S C 0.797 175.380 174.600 -0.030 0.000 1.314 216 S CA 0.231 58.405 58.200 -0.042 0.000 1.062 216 S CB 0.370 63.562 63.200 -0.014 0.000 0.865 216 S HN 0.833 nan 8.310 nan 0.000 0.498 217 T N 0.955 115.501 114.554 -0.012 0.000 2.986 217 T HA 0.340 4.692 4.350 0.003 0.000 0.264 217 T C 0.752 175.454 174.700 0.003 0.000 0.964 217 T CA -0.304 61.794 62.100 -0.004 0.000 0.895 217 T CB -0.133 68.735 68.868 0.000 0.000 1.163 217 T HN 0.620 nan 8.240 nan 0.000 0.517 218 E N 0.852 121.054 120.200 0.004 0.000 2.474 218 E HA 0.278 4.629 4.350 0.003 0.000 0.195 218 E C 1.095 177.699 176.600 0.007 0.000 1.039 218 E CA -0.067 56.337 56.400 0.007 0.000 0.881 218 E CB 0.398 30.104 29.700 0.009 0.000 0.970 218 E HN 0.293 nan 8.360 nan 0.000 0.486 219 R N 0.453 120.957 120.500 0.006 0.000 2.698 219 R HA 0.207 4.549 4.340 0.003 0.000 0.422 219 R C 0.532 176.834 176.300 0.004 0.000 1.073 219 R CA -0.133 55.971 56.100 0.006 0.000 1.054 219 R CB 0.313 30.618 30.300 0.009 0.000 1.373 219 R HN 0.006 nan 8.270 nan 0.000 0.593 220 N N 0.957 119.658 118.700 0.003 0.000 2.289 220 N HA -0.127 4.614 4.740 0.003 0.000 0.184 220 N C 0.417 175.927 175.510 -0.001 0.000 1.016 220 N CA 1.279 54.330 53.050 0.001 0.000 0.872 220 N CB 0.234 38.722 38.487 0.002 0.000 0.973 220 N HN 0.256 nan 8.380 nan 0.000 0.433 221 D N -0.266 120.134 120.400 0.001 0.000 2.339 221 D HA 0.015 4.657 4.640 0.003 0.000 0.217 221 D C -0.303 175.997 176.300 0.000 0.000 1.050 221 D CA 0.418 54.418 54.000 -0.000 0.000 0.856 221 D CB 0.309 41.110 40.800 0.001 0.000 0.922 221 D HN 0.075 nan 8.370 nan 0.000 0.518 222 D N -0.452 119.949 120.400 0.002 0.000 2.735 222 D HA 0.157 4.799 4.640 0.003 0.000 0.291 222 D C -2.000 174.303 176.300 0.004 0.000 1.205 222 D CA -1.710 52.291 54.000 0.003 0.000 0.777 222 D CB 1.237 42.040 40.800 0.005 0.000 1.234 222 D HN -0.176 nan 8.370 nan 0.000 0.520 223 P HA -0.108 nan 4.420 nan 0.000 0.217 223 P C 1.470 178.774 177.300 0.007 0.000 1.150 223 P CA 1.354 64.456 63.100 0.004 0.000 0.832 223 P CB 0.070 31.770 31.700 -0.001 0.000 0.787 224 T N -3.438 111.120 114.554 0.006 0.000 3.007 224 T HA 0.041 4.393 4.350 0.003 0.000 0.270 224 T C 1.643 176.351 174.700 0.012 0.000 1.107 224 T CA 1.021 63.125 62.100 0.007 0.000 1.118 224 T CB -0.818 68.052 68.868 0.004 0.000 0.889 224 T HN 0.018 nan 8.240 nan 0.000 0.506 225 A N 0.214 123.042 122.820 0.014 0.000 2.267 225 A HA 0.799 5.120 4.320 0.003 0.000 0.213 225 A C 2.464 180.060 177.584 0.019 0.000 1.192 225 A CA 0.615 52.663 52.037 0.019 0.000 0.851 225 A CB -0.593 18.418 19.000 0.019 0.000 0.881 225 A HN 0.616 nan 8.150 nan 0.000 0.494 226 A N -0.399 122.431 122.820 0.017 0.000 1.897 226 A HA 0.094 4.416 4.320 0.003 0.000 0.215 226 A C 1.616 179.212 177.584 0.020 0.000 1.181 226 A CA 1.248 53.295 52.037 0.017 0.000 0.620 226 A CB -0.598 18.410 19.000 0.015 0.000 0.821 226 A HN 0.441 nan 8.150 nan 0.000 0.443 227 S N 0.951 116.664 115.700 0.022 0.000 2.414 227 S HA 0.351 4.823 4.470 0.003 0.000 0.290 227 S C 0.299 174.901 174.600 0.004 0.000 1.160 227 S CA -0.554 57.657 58.200 0.018 0.000 1.069 227 S CB -0.273 62.941 63.200 0.023 0.000 1.012 227 S HN 0.482 nan 8.310 nan 0.000 0.510 228 R N 3.588 124.083 120.500 -0.009 0.000 2.655 228 R HA 0.336 4.678 4.340 0.003 0.000 0.261 228 R C -3.316 172.955 176.300 -0.048 0.000 1.624 228 R CA -1.755 54.340 56.100 -0.009 0.000 1.655 228 R CB 0.140 30.449 30.300 0.014 0.000 1.356 228 R HN 0.298 nan 8.270 nan 0.000 0.684 229 P HA -0.037 nan 4.420 nan 0.000 0.265 229 P C -0.660 176.489 177.300 -0.252 0.000 1.193 229 P CA 0.354 63.258 63.100 -0.326 0.000 0.765 229 P CB 0.042 31.491 31.700 -0.418 0.000 0.823 230 Y N -1.159 119.147 120.300 0.009 0.000 4.897 230 Y HA -0.292 4.259 4.550 0.003 0.000 0.263 230 Y C 0.667 176.571 175.900 0.006 0.000 0.945 230 Y CA 1.085 59.190 58.100 0.008 0.000 1.858 230 Y CB -2.639 35.820 38.460 -0.002 0.000 1.296 230 Y HN 0.345 nan 8.280 nan 0.000 0.490 231 D N 0.785 121.236 120.400 0.086 0.000 2.345 231 D HA 0.268 4.910 4.640 0.003 0.000 0.247 231 D C 1.250 177.582 176.300 0.054 0.000 1.108 231 D CA 0.326 54.366 54.000 0.068 0.000 0.894 231 D CB 1.029 41.857 40.800 0.047 0.000 1.203 231 D HN 0.181 nan 8.370 nan 0.000 0.430 232 E N 1.948 122.179 120.200 0.052 0.000 2.187 232 E HA -0.248 4.104 4.350 0.003 0.000 0.199 232 E C 0.596 177.217 176.600 0.035 0.000 1.004 232 E CA 1.575 58.000 56.400 0.043 0.000 0.813 232 E CB 0.005 29.727 29.700 0.038 0.000 0.736 232 E HN 0.531 nan 8.360 nan 0.000 0.468 233 D N -0.682 119.738 120.400 0.033 0.000 2.368 233 D HA 0.034 4.676 4.640 0.003 0.000 0.218 233 D C -0.347 175.967 176.300 0.023 0.000 1.112 233 D CA -0.151 53.865 54.000 0.027 0.000 0.834 233 D CB 0.031 40.847 40.800 0.027 0.000 0.953 233 D HN 0.202 nan 8.370 nan 0.000 0.505 234 R N 0.727 121.240 120.500 0.021 0.000 2.698 234 R HA 0.078 4.419 4.340 0.003 0.000 0.266 234 R C -0.225 176.088 176.300 0.020 0.000 1.026 234 R CA 0.448 56.558 56.100 0.015 0.000 1.102 234 R CB 0.375 30.675 30.300 0.001 0.000 0.978 234 R HN -0.020 nan 8.270 nan 0.000 0.436 235 D N 0.379 120.792 120.400 0.020 0.000 2.740 235 D HA 0.207 4.848 4.640 0.003 0.000 0.305 235 D C 0.112 176.423 176.300 0.017 0.000 1.583 235 D CA 0.156 54.168 54.000 0.020 0.000 0.790 235 D CB 0.330 41.139 40.800 0.015 0.000 1.187 235 D HN 0.918 nan 8.370 nan 0.000 0.447 236 G N 0.472 109.291 108.800 0.032 0.000 2.392 236 G HA2 0.239 4.200 3.960 0.003 0.000 0.677 236 G HA3 0.239 4.200 3.960 0.003 0.000 0.677 236 G C -0.606 174.325 174.900 0.050 0.000 1.334 236 G CA -0.661 44.456 45.100 0.028 0.000 0.961 236 G HN 0.330 nan 8.290 nan 0.000 0.616 237 F N -0.561 119.414 119.950 0.042 0.000 2.370 237 F HA 0.815 5.344 4.527 0.003 0.000 0.319 237 F C 0.240 176.042 175.800 0.003 0.000 1.129 237 F CA -1.488 56.520 58.000 0.015 0.000 1.109 237 F CB 1.221 40.246 39.000 0.042 0.000 1.262 237 F HN 0.411 nan 8.300 nan 0.000 0.534 238 V N 4.165 124.270 119.914 0.318 0.000 2.384 238 V HA 0.245 4.366 4.120 0.003 0.000 0.287 238 V C 0.147 176.408 176.094 0.278 0.000 1.020 238 V CA -0.801 61.610 62.300 0.184 0.000 0.850 238 V CB 1.211 33.091 31.823 0.096 0.000 0.987 238 V HN 0.969 nan 8.190 nan 0.000 0.436 239 M N 4.123 123.847 119.600 0.207 0.000 2.239 239 M HA 0.520 5.002 4.480 0.003 0.000 0.348 239 M C 0.543 176.882 176.300 0.064 0.000 1.239 239 M CA 0.631 56.014 55.300 0.139 0.000 1.114 239 M CB 0.511 33.144 32.600 0.055 0.000 1.641 239 M HN 0.811 nan 8.290 nan 0.000 0.453 240 G N 3.297 112.105 108.800 0.013 0.000 2.816 240 G HA2 0.718 4.680 3.960 0.003 0.000 0.288 240 G HA3 0.718 4.680 3.960 0.003 0.000 0.288 240 G C -1.858 173.029 174.900 -0.022 0.000 1.334 240 G CA -0.704 44.396 45.100 0.001 0.000 0.978 240 G HN 0.773 nan 8.290 nan 0.000 0.493 241 E N -1.696 118.480 120.200 -0.041 0.000 2.408 241 E HA 0.762 5.114 4.350 0.003 0.000 0.275 241 E C -0.138 176.346 176.600 -0.194 0.000 0.935 241 E CA -0.733 55.641 56.400 -0.043 0.000 0.775 241 E CB 2.299 32.022 29.700 0.039 0.000 1.277 241 E HN 1.615 nan 8.360 nan 0.000 0.455 242 G N -0.130 108.543 108.800 -0.212 0.000 2.320 242 G HA2 0.468 4.430 3.960 0.003 0.000 0.274 242 G HA3 0.468 4.430 3.960 0.003 0.000 0.274 242 G C -1.692 173.128 174.900 -0.133 0.000 1.324 242 G CA -0.315 44.544 45.100 -0.402 0.000 0.957 242 G HN 1.111 nan 8.290 nan 0.000 0.481 243 A N -1.327 121.392 122.820 -0.168 0.000 2.547 243 A HA 0.975 5.296 4.320 0.003 0.000 0.297 243 A C -0.114 177.390 177.584 -0.134 0.000 1.056 243 A CA 0.491 52.478 52.037 -0.082 0.000 0.688 243 A CB 1.637 20.631 19.000 -0.009 0.000 1.282 243 A HN 2.381 nan 8.150 nan 0.000 0.400 244 G N 0.929 109.650 108.800 -0.131 0.000 2.513 244 G HA2 0.627 4.588 3.960 0.003 0.000 0.317 244 G HA3 0.627 4.588 3.960 0.003 0.000 0.317 244 G C -1.049 173.770 174.900 -0.134 0.000 1.277 244 G CA -0.384 44.613 45.100 -0.171 0.000 0.955 244 G HN 0.522 nan 8.290 nan 0.000 0.484 245 I N 1.845 122.332 120.570 -0.137 0.000 2.619 245 I HA 0.415 4.586 4.170 0.003 0.000 0.292 245 I C -0.041 175.991 176.117 -0.141 0.000 1.100 245 I CA -0.956 60.276 61.300 -0.114 0.000 1.043 245 I CB 1.747 39.700 38.000 -0.079 0.000 1.239 245 I HN 0.425 nan 8.210 nan 0.000 0.420 246 V N 3.930 123.762 119.914 -0.137 0.000 2.628 246 V HA 0.685 4.807 4.120 0.003 0.000 0.306 246 V C -0.370 175.655 176.094 -0.116 0.000 1.045 246 V CA -0.747 61.464 62.300 -0.149 0.000 0.905 246 V CB 1.928 33.650 31.823 -0.167 0.000 0.997 246 V HN 0.348 nan 8.190 nan 0.000 0.436 247 V N 5.660 125.510 119.914 -0.105 0.000 2.406 247 V HA 0.398 4.520 4.120 0.003 0.000 0.272 247 V C 0.180 176.202 176.094 -0.119 0.000 1.043 247 V CA -0.170 62.069 62.300 -0.101 0.000 0.915 247 V CB 0.837 32.609 31.823 -0.084 0.000 0.988 247 V HN 0.755 nan 8.190 nan 0.000 0.466 248 L N 4.870 126.011 121.223 -0.137 0.000 2.322 248 L HA 0.721 5.062 4.340 0.003 0.000 0.279 248 L C -0.119 176.634 176.870 -0.194 0.000 1.036 248 L CA -0.327 54.425 54.840 -0.145 0.000 0.807 248 L CB 1.821 43.801 42.059 -0.131 0.000 1.226 248 L HN 0.656 nan 8.230 nan 0.000 0.433 249 E N 1.632 121.715 120.200 -0.194 0.000 2.321 249 E HA 0.140 4.492 4.350 0.003 0.000 0.278 249 E C -1.225 175.260 176.600 -0.193 0.000 0.902 249 E CA -0.679 55.568 56.400 -0.255 0.000 0.758 249 E CB 2.026 31.570 29.700 -0.261 0.000 1.213 249 E HN 0.470 nan 8.360 nan 0.000 0.426 250 E N 3.628 123.707 120.200 -0.200 0.000 2.413 250 E HA -0.051 4.301 4.350 0.003 0.000 0.263 250 E C 0.687 177.236 176.600 -0.085 0.000 1.015 250 E CA -0.042 56.287 56.400 -0.119 0.000 0.916 250 E CB 1.046 30.687 29.700 -0.098 0.000 0.947 250 E HN 0.620 nan 8.360 nan 0.000 0.440 251 L N 5.279 126.454 121.223 -0.081 0.000 2.012 251 L HA -0.194 4.148 4.340 0.003 0.000 0.210 251 L C 1.920 178.746 176.870 -0.073 0.000 1.073 251 L CA 1.881 56.655 54.840 -0.110 0.000 0.748 251 L CB -0.359 41.651 42.059 -0.082 0.000 0.891 251 L HN 0.537 nan 8.230 nan 0.000 0.431 252 E N -1.145 119.041 120.200 -0.023 0.000 2.150 252 E HA -0.241 4.111 4.350 0.003 0.000 0.193 252 E C 2.158 178.751 176.600 -0.012 0.000 0.985 252 E CA 1.110 57.504 56.400 -0.011 0.000 0.814 252 E CB -0.634 29.070 29.700 0.007 0.000 0.752 252 E HN 0.668 nan 8.360 nan 0.000 0.466 253 H N 0.891 119.902 119.070 -0.099 0.000 2.321 253 H HA -0.050 4.508 4.556 0.002 0.000 0.300 253 H C 1.844 177.079 175.328 -0.155 0.000 1.087 253 H CA 1.794 57.767 56.048 -0.124 0.000 1.319 253 H CB 0.187 29.848 29.762 -0.169 0.000 1.379 253 H HN 0.119 nan 8.280 nan 0.000 0.501 254 A N 1.318 124.118 122.820 -0.033 0.000 1.877 254 A HA -0.107 4.215 4.320 0.003 0.000 0.216 254 A C 2.937 180.447 177.584 -0.122 0.000 1.186 254 A CA 1.385 53.358 52.037 -0.106 0.000 0.620 254 A CB -0.938 17.974 19.000 -0.147 0.000 0.822 254 A HN 0.421 nan 8.150 nan 0.000 0.443 255 L N -0.799 120.358 121.223 -0.109 0.000 2.046 255 L HA -0.198 4.144 4.340 0.003 0.000 0.208 255 L C 3.087 179.915 176.870 -0.069 0.000 1.077 255 L CA 1.082 55.875 54.840 -0.079 0.000 0.747 255 L CB -0.585 41.446 42.059 -0.047 0.000 0.896 255 L HN 0.448 nan 8.230 nan 0.000 0.432 256 A N 0.922 123.690 122.820 -0.087 0.000 1.972 256 A HA -0.201 4.121 4.320 0.003 0.000 0.219 256 A C 2.270 179.802 177.584 -0.087 0.000 1.169 256 A CA 1.746 53.733 52.037 -0.083 0.000 0.635 256 A CB -0.495 18.445 19.000 -0.100 0.000 0.810 256 A HN 0.580 nan 8.150 nan 0.000 0.446 257 R N -1.485 118.943 120.500 -0.119 0.000 2.334 257 R HA 0.350 4.691 4.340 0.003 0.000 0.216 257 R C 0.985 177.265 176.300 -0.033 0.000 0.905 257 R CA 0.734 56.790 56.100 -0.073 0.000 1.064 257 R CB -0.476 29.772 30.300 -0.086 0.000 1.046 257 R HN 0.759 nan 8.270 nan 0.000 0.508 258 G N 0.718 109.492 108.800 -0.045 0.000 2.160 258 G HA2 -0.318 3.643 3.960 0.003 0.000 0.244 258 G HA3 -0.318 3.643 3.960 0.003 0.000 0.244 258 G C 0.275 175.154 174.900 -0.035 0.000 1.022 258 G CA 0.077 45.158 45.100 -0.031 0.000 0.741 258 G HN 0.698 nan 8.290 nan 0.000 0.508 259 A N 0.098 122.886 122.820 -0.054 0.000 2.498 259 A HA 0.546 4.868 4.320 0.003 0.000 0.239 259 A C 0.995 178.527 177.584 -0.086 0.000 1.068 259 A CA 0.772 52.774 52.037 -0.059 0.000 0.766 259 A CB 0.229 19.180 19.000 -0.082 0.000 1.003 259 A HN 1.424 nan 8.150 nan 0.000 0.497 260 K N 1.536 121.879 120.400 -0.096 0.000 2.436 260 K HA 0.388 4.710 4.320 0.003 0.000 0.275 260 K C -1.049 175.433 176.600 -0.196 0.000 0.999 260 K CA 0.356 56.541 56.287 -0.171 0.000 0.980 260 K CB 0.355 32.706 32.500 -0.248 0.000 0.919 260 K HN 0.454 nan 8.250 nan 0.000 0.484 261 I N 3.750 124.192 120.570 -0.213 0.000 2.439 261 I HA 0.121 4.292 4.170 0.003 0.000 0.285 261 I C -0.175 175.864 176.117 -0.131 0.000 1.021 261 I CA -0.832 60.370 61.300 -0.163 0.000 1.091 261 I CB 1.190 39.057 38.000 -0.223 0.000 1.242 261 I HN 0.696 nan 8.210 nan 0.000 0.439 262 Y N 4.884 125.152 120.300 -0.054 0.000 2.243 262 Y HA 0.338 4.889 4.550 0.002 0.000 0.293 262 Y C 1.259 177.154 175.900 -0.008 0.000 1.124 262 Y CA 0.866 58.943 58.100 -0.038 0.000 1.159 262 Y CB 0.240 38.658 38.460 -0.070 0.000 1.008 262 Y HN 0.662 nan 8.280 nan 0.000 0.527 263 A N -0.822 122.094 122.820 0.160 0.000 2.515 263 A HA 0.431 4.753 4.320 0.003 0.000 0.292 263 A C -1.578 176.054 177.584 0.079 0.000 1.065 263 A CA -0.842 51.267 52.037 0.121 0.000 0.641 263 A CB 0.702 19.754 19.000 0.087 0.000 1.306 263 A HN 0.039 nan 8.150 nan 0.000 0.441 264 E N 0.212 120.467 120.200 0.092 0.000 2.183 264 E HA 0.583 4.934 4.350 0.003 0.000 0.271 264 E C -1.318 175.301 176.600 0.032 0.000 0.919 264 E CA -0.654 55.784 56.400 0.064 0.000 0.781 264 E CB 1.783 31.566 29.700 0.138 0.000 1.140 264 E HN 0.484 nan 8.360 nan 0.000 0.402 265 V N 7.039 126.952 119.914 -0.001 0.000 2.405 265 V HA 0.081 4.203 4.120 0.003 0.000 0.264 265 V C 1.008 177.107 176.094 0.009 0.000 1.048 265 V CA 0.271 62.563 62.300 -0.014 0.000 0.966 265 V CB 0.234 32.025 31.823 -0.054 0.000 1.015 265 V HN 0.675 nan 8.190 nan 0.000 0.477 266 I N 2.032 122.616 120.570 0.024 0.000 4.139 266 I HA 0.651 4.823 4.170 0.003 0.000 0.320 266 I C 0.850 176.995 176.117 0.047 0.000 1.290 266 I CA 0.229 61.551 61.300 0.037 0.000 1.253 266 I CB 0.719 38.743 38.000 0.040 0.000 1.122 266 I HN 0.565 nan 8.210 nan 0.000 0.421 267 G N 0.266 109.099 108.800 0.055 0.000 2.660 267 G HA2 0.568 4.530 3.960 0.003 0.000 0.294 267 G HA3 0.568 4.530 3.960 0.003 0.000 0.294 267 G C -2.461 172.530 174.900 0.152 0.000 1.369 267 G CA -0.403 44.747 45.100 0.084 0.000 0.912 267 G HN 0.090 nan 8.290 nan 0.000 0.479 268 Y N 0.174 120.468 120.300 -0.011 0.000 2.390 268 Y HA 0.658 5.209 4.550 0.002 0.000 0.324 268 Y C -0.278 175.616 175.900 -0.009 0.000 1.151 268 Y CA -1.035 57.054 58.100 -0.020 0.000 1.053 268 Y CB 1.743 40.195 38.460 -0.014 0.000 1.277 268 Y HN 0.979 nan 8.280 nan 0.000 0.432 269 G N 4.948 113.684 108.800 -0.105 0.000 2.563 269 G HA2 0.730 4.691 3.960 0.003 0.000 0.302 269 G HA3 0.730 4.691 3.960 0.003 0.000 0.302 269 G C -1.761 172.976 174.900 -0.271 0.000 1.301 269 G CA -1.087 43.890 45.100 -0.205 0.000 0.965 269 G HN 0.545 nan 8.290 nan 0.000 0.480 270 M N 0.727 120.200 119.600 -0.211 0.000 2.531 270 M HA 0.650 5.131 4.480 0.003 0.000 0.286 270 M C -0.214 176.073 176.300 -0.021 0.000 1.232 270 M CA -0.653 54.586 55.300 -0.102 0.000 0.877 270 M CB 2.946 35.485 32.600 -0.102 0.000 1.726 270 M HN 0.848 nan 8.290 nan 0.000 0.463 271 S N 0.168 115.892 115.700 0.039 0.000 2.672 271 S HA 0.954 5.425 4.470 0.003 0.000 0.271 271 S C -1.039 173.598 174.600 0.061 0.000 1.171 271 S CA -0.661 57.559 58.200 0.033 0.000 0.817 271 S CB 1.775 64.983 63.200 0.013 0.000 1.150 271 S HN 1.011 nan 8.310 nan 0.000 0.478 272 G N -0.328 108.497 108.800 0.042 0.000 2.617 272 G HA2 0.556 4.518 3.960 0.003 0.000 0.306 272 G HA3 0.556 4.518 3.960 0.003 0.000 0.306 272 G C -0.592 174.333 174.900 0.042 0.000 1.360 272 G CA -0.647 44.485 45.100 0.054 0.000 0.983 272 G HN 0.541 nan 8.290 nan 0.000 0.496 273 D N 1.669 122.105 120.400 0.059 0.000 2.162 273 D HA 0.078 4.720 4.640 0.003 0.000 0.203 273 D C 2.151 178.515 176.300 0.106 0.000 0.967 273 D CA 1.526 55.566 54.000 0.067 0.000 0.840 273 D CB 0.054 40.919 40.800 0.109 0.000 0.972 273 D HN 0.964 nan 8.370 nan 0.000 0.482 274 A N -0.709 122.175 122.820 0.106 0.000 2.822 274 A HA -0.266 4.056 4.320 0.003 0.000 0.287 274 A C 0.842 178.530 177.584 0.172 0.000 1.479 274 A CA 1.095 53.191 52.037 0.099 0.000 0.779 274 A CB -2.272 16.768 19.000 0.067 0.000 1.022 274 A HN 0.359 nan 8.150 nan 0.000 0.532 275 F N -0.819 119.145 119.950 0.023 0.000 2.536 275 F HA 0.412 4.941 4.527 0.003 0.000 0.278 275 F C 0.825 176.684 175.800 0.097 0.000 0.945 275 F CA 1.475 59.503 58.000 0.047 0.000 1.244 275 F CB 0.417 39.443 39.000 0.042 0.000 1.118 275 F HN 0.588 nan 8.300 nan 0.000 0.725 276 H N 0.341 119.244 119.070 -0.279 0.000 3.064 276 H HA 0.274 4.832 4.556 0.003 0.000 0.352 276 H C 0.936 176.147 175.328 -0.195 0.000 1.260 276 H CA 0.182 55.972 56.048 -0.431 0.000 1.160 276 H CB 1.810 31.133 29.762 -0.732 0.000 1.879 276 H HN 0.227 nan 8.280 nan 0.000 0.544 277 I N 0.492 120.709 120.570 -0.588 0.000 2.361 277 I HA -0.113 4.058 4.170 0.003 0.000 0.251 277 I C 1.243 177.209 176.117 -0.252 0.000 1.133 277 I CA 2.133 63.234 61.300 -0.332 0.000 1.413 277 I CB -0.243 37.541 38.000 -0.360 0.000 1.073 277 I HN 0.526 nan 8.210 nan 0.000 0.424 278 T N -2.243 112.229 114.554 -0.137 0.000 3.048 278 T HA 0.515 4.867 4.350 0.003 0.000 0.254 278 T C 0.881 175.512 174.700 -0.116 0.000 0.942 278 T CA 0.260 62.067 62.100 -0.488 0.000 0.931 278 T CB -0.324 68.100 68.868 -0.739 0.000 1.220 278 T HN 0.354 nan 8.240 nan 0.000 0.503 279 A N 3.985 126.896 122.820 0.151 0.000 2.371 279 A HA 0.658 4.979 4.320 0.003 0.000 0.257 279 A C -2.282 175.438 177.584 0.226 0.000 1.089 279 A CA -1.373 50.679 52.037 0.024 0.000 0.794 279 A CB -0.108 18.676 19.000 -0.360 0.000 1.029 279 A HN 0.389 nan 8.150 nan 0.000 0.488 280 P HA 0.226 nan 4.420 nan 0.000 0.277 280 P C 0.129 177.487 177.300 0.097 0.000 1.240 280 P CA -0.099 63.099 63.100 0.163 0.000 0.798 280 P CB 0.487 32.247 31.700 0.099 0.000 0.979 281 T N -2.474 112.018 114.554 -0.105 0.000 2.932 281 T HA 0.205 4.556 4.350 0.003 0.000 0.312 281 T C 1.575 176.046 174.700 -0.381 0.000 1.071 281 T CA 0.311 62.070 62.100 -0.568 0.000 1.128 281 T CB -0.108 68.513 68.868 -0.411 0.000 0.984 281 T HN 0.510 nan 8.240 nan 0.000 0.549 282 E N 1.667 121.594 120.200 -0.455 0.000 2.150 282 E HA -0.097 4.254 4.350 0.003 0.000 0.193 282 E C 2.377 178.868 176.600 -0.180 0.000 0.985 282 E CA 1.556 57.816 56.400 -0.234 0.000 0.814 282 E CB -0.938 28.645 29.700 -0.196 0.000 0.752 282 E HN 0.958 nan 8.360 nan 0.000 0.466 283 S N -1.760 113.812 115.700 -0.215 0.000 2.496 283 S HA 0.347 4.819 4.470 0.003 0.000 0.224 283 S C 2.183 176.699 174.600 -0.139 0.000 0.996 283 S CA 1.058 59.167 58.200 -0.153 0.000 0.927 283 S CB 0.010 63.120 63.200 -0.150 0.000 0.774 283 S HN 1.654 nan 8.310 nan 0.000 0.524 284 G N 2.104 110.803 108.800 -0.168 0.000 2.187 284 G HA2 -0.397 3.564 3.960 0.003 0.000 0.261 284 G HA3 -0.397 3.564 3.960 0.003 0.000 0.261 284 G C 0.617 175.407 174.900 -0.183 0.000 1.000 284 G CA 0.894 45.884 45.100 -0.183 0.000 0.718 284 G HN 0.822 nan 8.290 nan 0.000 0.519 285 E N -0.310 119.797 120.200 -0.155 0.000 2.150 285 E HA 0.143 4.495 4.350 0.003 0.000 0.193 285 E C 2.436 178.963 176.600 -0.121 0.000 0.985 285 E CA 1.781 58.109 56.400 -0.120 0.000 0.814 285 E CB -0.964 28.677 29.700 -0.098 0.000 0.752 285 E HN 0.643 nan 8.360 nan 0.000 0.466 286 G N 0.715 109.432 108.800 -0.139 0.000 2.402 286 G HA2 -0.167 3.794 3.960 0.003 0.000 0.216 286 G HA3 -0.167 3.794 3.960 0.003 0.000 0.216 286 G C 1.779 176.572 174.900 -0.178 0.000 1.162 286 G CA 0.963 45.991 45.100 -0.119 0.000 0.777 286 G HN 0.483 nan 8.290 nan 0.000 0.539 287 A N 0.455 123.058 122.820 -0.362 0.000 1.908 287 A HA -0.143 4.179 4.320 0.003 0.000 0.218 287 A C 2.284 179.740 177.584 -0.213 0.000 1.181 287 A CA 2.151 53.833 52.037 -0.592 0.000 0.627 287 A CB -0.606 17.746 19.000 -1.079 0.000 0.818 287 A HN 0.475 nan 8.150 nan 0.000 0.445 288 Q N -0.452 119.254 119.800 -0.158 0.000 2.030 288 Q HA -0.229 4.113 4.340 0.003 0.000 0.204 288 Q C 2.300 178.277 176.000 -0.038 0.000 0.986 288 Q CA 1.909 57.669 55.803 -0.071 0.000 0.843 288 Q CB -0.164 28.532 28.738 -0.069 0.000 0.904 288 Q HN 0.668 nan 8.270 nan 0.000 0.420 289 R N -0.340 120.132 120.500 -0.047 0.000 2.096 289 R HA -0.151 4.191 4.340 0.003 0.000 0.235 289 R C 2.668 178.963 176.300 -0.009 0.000 1.127 289 R CA 1.216 57.300 56.100 -0.026 0.000 0.968 289 R CB -0.750 29.532 30.300 -0.030 0.000 0.861 289 R HN 0.437 nan 8.270 nan 0.000 0.440 290 C N 0.786 120.090 119.300 0.007 0.000 2.432 290 C HA -0.065 4.396 4.460 0.003 0.000 0.277 290 C C 2.590 177.612 174.990 0.053 0.000 1.249 290 C CA 0.828 59.872 59.018 0.044 0.000 1.725 290 C CB -0.676 27.144 27.740 0.133 0.000 2.028 290 C HN 0.452 nan 8.230 nan 0.000 0.477 291 M N 0.090 119.737 119.600 0.079 0.000 2.117 291 M HA -0.120 4.361 4.480 0.003 0.000 0.262 291 M C 2.118 178.436 176.300 0.030 0.000 1.065 291 M CA 1.648 56.989 55.300 0.067 0.000 1.114 291 M CB -0.527 32.122 32.600 0.081 0.000 1.361 291 M HN 0.307 nan 8.290 nan 0.000 0.408 292 V N 0.540 120.463 119.914 0.016 0.000 2.332 292 V HA -0.279 3.842 4.120 0.003 0.000 0.248 292 V C 2.638 178.733 176.094 0.002 0.000 1.055 292 V CA 2.073 64.376 62.300 0.005 0.000 1.038 292 V CB -1.196 30.625 31.823 -0.003 0.000 0.651 292 V HN 0.530 nan 8.190 nan 0.000 0.450 293 A N -0.142 122.676 122.820 -0.004 0.000 1.902 293 A HA -0.095 4.227 4.320 0.003 0.000 0.217 293 A C 2.439 180.018 177.584 -0.009 0.000 1.181 293 A CA 2.015 54.043 52.037 -0.015 0.000 0.623 293 A CB -0.777 18.203 19.000 -0.034 0.000 0.818 293 A HN 0.569 nan 8.150 nan 0.000 0.443 294 A N -0.105 122.715 122.820 0.001 0.000 1.883 294 A HA -0.081 4.241 4.320 0.003 0.000 0.217 294 A C 2.171 179.772 177.584 0.027 0.000 1.186 294 A CA 1.596 53.646 52.037 0.023 0.000 0.624 294 A CB -0.658 18.365 19.000 0.037 0.000 0.822 294 A HN 0.481 nan 8.150 nan 0.000 0.444 295 L N -0.778 120.458 121.223 0.021 0.000 2.093 295 L HA -0.177 4.165 4.340 0.003 0.000 0.208 295 L C 2.625 179.504 176.870 0.016 0.000 1.085 295 L CA 1.811 56.663 54.840 0.019 0.000 0.755 295 L CB -0.453 41.615 42.059 0.015 0.000 0.904 295 L HN 0.454 nan 8.230 nan 0.000 0.435 296 K N 0.494 120.901 120.400 0.011 0.000 2.026 296 K HA -0.257 4.065 4.320 0.003 0.000 0.208 296 K C 2.365 178.974 176.600 0.014 0.000 1.048 296 K CA 1.488 57.780 56.287 0.009 0.000 0.929 296 K CB 0.022 32.523 32.500 0.003 0.000 0.713 296 K HN -0.018 nan 8.250 nan 0.000 0.439 297 R N 0.715 121.225 120.500 0.017 0.000 2.091 297 R HA -0.062 4.280 4.340 0.003 0.000 0.238 297 R C 1.846 178.165 176.300 0.033 0.000 1.136 297 R CA 1.847 57.963 56.100 0.027 0.000 0.959 297 R CB -0.741 29.583 30.300 0.040 0.000 0.856 297 R HN 0.290 nan 8.270 nan 0.000 0.437 298 A N -0.798 122.042 122.820 0.033 0.000 2.121 298 A HA 0.180 4.502 4.320 0.003 0.000 0.218 298 A C 1.526 179.125 177.584 0.025 0.000 1.154 298 A CA 1.011 53.067 52.037 0.033 0.000 0.679 298 A CB -0.757 18.262 19.000 0.033 0.000 0.795 298 A HN 0.637 nan 8.150 nan 0.000 0.458 299 G N -0.507 108.305 108.800 0.020 0.000 2.198 299 G HA2 -0.236 3.726 3.960 0.003 0.000 0.257 299 G HA3 -0.236 3.726 3.960 0.003 0.000 0.257 299 G C 0.128 175.036 174.900 0.014 0.000 1.042 299 G CA 0.563 45.673 45.100 0.016 0.000 0.791 299 G HN 1.464 nan 8.290 nan 0.000 0.502 300 I N -2.668 117.911 120.570 0.015 0.000 2.846 300 I HA 0.899 5.071 4.170 0.003 0.000 0.307 300 I C 0.492 176.615 176.117 0.011 0.000 1.053 300 I CA -1.587 59.721 61.300 0.013 0.000 1.050 300 I CB 2.225 40.235 38.000 0.017 0.000 1.239 300 I HN 0.307 nan 8.210 nan 0.000 0.439 301 V N 0.383 120.303 119.914 0.009 0.000 2.966 301 V HA 0.544 4.666 4.120 0.003 0.000 0.317 301 V C -2.116 173.983 176.094 0.008 0.000 1.070 301 V CA -1.560 60.745 62.300 0.007 0.000 1.008 301 V CB 0.757 32.583 31.823 0.005 0.000 1.070 301 V HN 0.701 nan 8.190 nan 0.000 0.457 302 P HA -0.110 nan 4.420 nan 0.000 0.218 302 P C 1.168 178.473 177.300 0.008 0.000 1.148 302 P CA 1.738 64.842 63.100 0.007 0.000 0.822 302 P CB 0.079 31.781 31.700 0.003 0.000 0.784 303 D N -0.207 120.197 120.400 0.007 0.000 2.271 303 D HA -0.186 4.455 4.640 0.003 0.000 0.207 303 D C 1.471 177.779 176.300 0.013 0.000 0.983 303 D CA 1.003 55.008 54.000 0.009 0.000 0.878 303 D CB -0.211 40.593 40.800 0.006 0.000 0.920 303 D HN 0.252 nan 8.370 nan 0.000 0.479 304 E N -0.720 119.488 120.200 0.014 0.000 2.478 304 E HA 0.090 4.441 4.350 0.003 0.000 0.194 304 E C 0.231 176.845 176.600 0.025 0.000 1.045 304 E CA -0.148 56.263 56.400 0.018 0.000 0.868 304 E CB 0.480 30.190 29.700 0.016 0.000 0.885 304 E HN 0.418 nan 8.360 nan 0.000 0.505 305 I N 1.950 122.534 120.570 0.023 0.000 2.496 305 I HA -0.042 4.129 4.170 0.003 0.000 0.285 305 I C 0.830 176.972 176.117 0.042 0.000 1.080 305 I CA 0.043 61.360 61.300 0.028 0.000 1.404 305 I CB 0.818 38.826 38.000 0.014 0.000 1.403 305 I HN -0.066 nan 8.210 nan 0.000 0.539 306 D N 3.974 124.416 120.400 0.070 0.000 2.525 306 D HA 0.003 4.645 4.640 0.003 0.000 0.248 306 D C -0.419 175.979 176.300 0.164 0.000 1.000 306 D CA 0.981 55.040 54.000 0.099 0.000 0.923 306 D CB 0.502 41.365 40.800 0.104 0.000 1.101 306 D HN 0.391 nan 8.370 nan 0.000 0.493 307 Y N 0.899 121.217 120.300 0.030 0.000 2.442 307 Y HA 0.500 5.052 4.550 0.003 0.000 0.344 307 Y C -1.485 174.437 175.900 0.036 0.000 0.976 307 Y CA -1.110 57.011 58.100 0.036 0.000 1.040 307 Y CB 1.207 39.698 38.460 0.053 0.000 1.228 307 Y HN -0.267 nan 8.280 nan 0.000 0.451 308 I N 6.233 126.367 120.570 -0.728 0.000 2.389 308 I HA 0.255 4.426 4.170 0.003 0.000 0.288 308 I C -0.516 175.021 176.117 -0.967 0.000 0.999 308 I CA -0.798 60.124 61.300 -0.630 0.000 1.129 308 I CB 1.456 39.301 38.000 -0.259 0.000 1.288 308 I HN 0.609 nan 8.210 nan 0.000 0.444 309 N N 6.027 124.313 118.700 -0.690 0.000 2.437 309 N HA 0.355 5.097 4.740 0.003 0.000 0.243 309 N C -0.335 175.094 175.510 -0.136 0.000 1.041 309 N CA -0.141 52.725 53.050 -0.307 0.000 0.940 309 N CB 1.390 39.880 38.487 0.006 0.000 1.133 309 N HN 0.740 nan 8.380 nan 0.000 0.506 310 A N 2.767 125.556 122.820 -0.051 0.000 2.366 310 A HA 0.048 4.370 4.320 0.003 0.000 0.249 310 A C 1.224 178.799 177.584 -0.015 0.000 1.084 310 A CA -0.088 51.965 52.037 0.028 0.000 0.794 310 A CB 0.216 19.334 19.000 0.195 0.000 1.034 310 A HN 0.932 nan 8.150 nan 0.000 0.491 311 H N 1.074 120.069 119.070 -0.126 0.000 2.299 311 H HA 0.098 4.656 4.556 0.003 0.000 0.302 311 H C 1.480 176.715 175.328 -0.154 0.000 1.078 311 H CA 1.930 57.859 56.048 -0.198 0.000 1.323 311 H CB -0.552 29.073 29.762 -0.228 0.000 1.381 311 H HN 1.250 nan 8.280 nan 0.000 0.498 312 G N 0.527 109.236 108.800 -0.153 0.000 2.306 312 G HA2 -0.312 3.650 3.960 0.003 0.000 0.274 312 G HA3 -0.312 3.650 3.960 0.003 0.000 0.274 312 G C 0.913 175.562 174.900 -0.418 0.000 0.890 312 G CA 0.960 45.874 45.100 -0.311 0.000 1.298 312 G HN 0.831 nan 8.290 nan 0.000 0.445 313 T N -2.444 111.842 114.554 -0.446 0.000 3.129 313 T HA 0.420 4.772 4.350 0.003 0.000 0.251 313 T C 1.269 175.898 174.700 -0.118 0.000 1.117 313 T CA 1.056 62.922 62.100 -0.390 0.000 1.034 313 T CB 0.322 68.934 68.868 -0.426 0.000 0.968 313 T HN 1.860 nan 8.240 nan 0.000 0.526 314 S N 0.796 116.407 115.700 -0.149 0.000 3.909 314 S HA -0.125 4.346 4.470 0.003 0.000 0.326 314 S C 0.258 174.866 174.600 0.013 0.000 1.083 314 S CA 0.608 58.761 58.200 -0.078 0.000 0.939 314 S CB -1.984 61.198 63.200 -0.031 0.000 0.886 314 S HN 1.242 nan 8.310 nan 0.000 0.496 315 T N -1.436 113.133 114.554 0.025 0.000 2.858 315 T HA 0.718 5.070 4.350 0.003 0.000 0.285 315 T C 1.523 176.261 174.700 0.063 0.000 1.052 315 T CA -0.623 61.532 62.100 0.091 0.000 1.009 315 T CB 0.725 69.708 68.868 0.191 0.000 1.241 315 T HN -0.011 nan 8.240 nan 0.000 0.542 316 M N 0.682 120.331 119.600 0.081 0.000 2.149 316 M HA -0.005 4.477 4.480 0.003 0.000 0.261 316 M C 2.659 179.002 176.300 0.073 0.000 1.064 316 M CA 1.977 57.317 55.300 0.066 0.000 1.102 316 M CB -2.171 30.466 32.600 0.063 0.000 1.369 316 M HN 0.944 nan 8.290 nan 0.000 0.408 317 A N 0.321 123.202 122.820 0.102 0.000 2.084 317 A HA -0.201 4.121 4.320 0.003 0.000 0.221 317 A C 1.738 179.390 177.584 0.113 0.000 1.161 317 A CA 1.900 54.007 52.037 0.116 0.000 0.653 317 A CB -0.796 18.314 19.000 0.183 0.000 0.802 317 A HN 0.433 nan 8.150 nan 0.000 0.457 318 D N -0.025 120.415 120.400 0.067 0.000 2.133 318 D HA -0.166 4.476 4.640 0.003 0.000 0.195 318 D C 2.265 178.684 176.300 0.198 0.000 0.997 318 D CA 2.219 56.237 54.000 0.029 0.000 0.840 318 D CB -0.779 39.880 40.800 -0.235 0.000 0.947 318 D HN 0.661 nan 8.370 nan 0.000 0.452 319 T N -1.401 113.246 114.554 0.154 0.000 2.951 319 T HA -0.005 4.347 4.350 0.003 0.000 0.268 319 T C 2.254 177.014 174.700 0.099 0.000 1.073 319 T CA 0.368 62.559 62.100 0.152 0.000 1.134 319 T CB -0.379 68.550 68.868 0.102 0.000 0.884 319 T HN 0.152 nan 8.240 nan 0.000 0.479 320 I N 1.490 122.105 120.570 0.075 0.000 2.233 320 I HA -0.076 4.096 4.170 0.003 0.000 0.243 320 I C 2.905 179.038 176.117 0.025 0.000 1.093 320 I CA 1.601 62.916 61.300 0.024 0.000 1.380 320 I CB -0.396 37.600 38.000 -0.007 0.000 1.067 320 I HN 0.333 nan 8.210 nan 0.000 0.413 321 E N 1.291 121.545 120.200 0.089 0.000 2.085 321 E HA -0.284 4.068 4.350 0.003 0.000 0.194 321 E C 2.260 178.938 176.600 0.131 0.000 0.994 321 E CA 1.375 57.851 56.400 0.127 0.000 0.801 321 E CB -0.067 29.821 29.700 0.313 0.000 0.743 321 E HN 0.304 nan 8.360 nan 0.000 0.453 322 L N 0.840 122.163 121.223 0.167 0.000 2.012 322 L HA -0.083 4.258 4.340 0.003 0.000 0.210 322 L C 2.267 179.152 176.870 0.025 0.000 1.073 322 L CA 2.577 57.465 54.840 0.079 0.000 0.748 322 L CB -1.101 40.993 42.059 0.058 0.000 0.891 322 L HN 0.230 nan 8.230 nan 0.000 0.431 323 G N -1.165 107.649 108.800 0.024 0.000 2.440 323 G HA2 -0.266 3.696 3.960 0.003 0.000 0.218 323 G HA3 -0.266 3.696 3.960 0.003 0.000 0.218 323 G C 1.609 176.500 174.900 -0.016 0.000 1.154 323 G CA 0.965 46.063 45.100 -0.003 0.000 0.767 323 G HN 0.682 nan 8.290 nan 0.000 0.552 324 A N 0.077 122.883 122.820 -0.023 0.000 1.902 324 A HA 0.052 4.374 4.320 0.003 0.000 0.217 324 A C 2.619 180.195 177.584 -0.013 0.000 1.181 324 A CA 1.909 53.921 52.037 -0.041 0.000 0.623 324 A CB -0.667 18.277 19.000 -0.093 0.000 0.818 324 A HN 0.273 nan 8.150 nan 0.000 0.443 325 V N 0.123 120.045 119.914 0.013 0.000 2.343 325 V HA -0.283 3.839 4.120 0.003 0.000 0.247 325 V C 2.395 178.487 176.094 -0.004 0.000 1.051 325 V CA 2.322 64.632 62.300 0.017 0.000 1.036 325 V CB -0.912 30.925 31.823 0.024 0.000 0.654 325 V HN 0.653 nan 8.190 nan 0.000 0.451 326 E N -0.157 120.036 120.200 -0.012 0.000 2.085 326 E HA -0.232 4.119 4.350 0.003 0.000 0.194 326 E C 2.472 179.063 176.600 -0.015 0.000 0.994 326 E CA 1.264 57.654 56.400 -0.017 0.000 0.801 326 E CB -0.197 29.491 29.700 -0.020 0.000 0.743 326 E HN 0.537 nan 8.360 nan 0.000 0.453 327 R N 0.298 120.788 120.500 -0.016 0.000 2.092 327 R HA -0.066 4.276 4.340 0.003 0.000 0.231 327 R C 2.428 178.720 176.300 -0.014 0.000 1.119 327 R CA 0.851 56.940 56.100 -0.018 0.000 0.970 327 R CB -0.211 30.075 30.300 -0.025 0.000 0.864 327 R HN 0.064 nan 8.270 nan 0.000 0.440 328 V N 0.974 120.882 119.914 -0.011 0.000 2.358 328 V HA -0.182 3.939 4.120 0.003 0.000 0.246 328 V C 2.300 178.391 176.094 -0.004 0.000 1.047 328 V CA 1.916 64.213 62.300 -0.005 0.000 1.035 328 V CB -0.182 31.643 31.823 0.004 0.000 0.658 328 V HN 0.298 nan 8.190 nan 0.000 0.452 329 V N -2.026 117.885 119.914 -0.005 0.000 3.354 329 V HA 0.475 4.597 4.120 0.003 0.000 0.258 329 V C 1.469 177.560 176.094 -0.005 0.000 1.159 329 V CA 0.769 63.066 62.300 -0.004 0.000 1.125 329 V CB -0.741 31.079 31.823 -0.005 0.000 0.774 329 V HN 0.626 nan 8.190 nan 0.000 0.464 330 G N 1.097 109.893 108.800 -0.008 0.000 2.672 330 G HA2 -0.474 3.488 3.960 0.003 0.000 0.324 330 G HA3 -0.474 3.488 3.960 0.003 0.000 0.324 330 G C 1.073 175.969 174.900 -0.007 0.000 1.286 330 G CA 2.025 47.120 45.100 -0.008 0.000 1.004 330 G HN 1.291 nan 8.290 nan 0.000 0.548 331 E N -0.079 120.118 120.200 -0.006 0.000 2.333 331 E HA 0.265 4.617 4.350 0.003 0.000 0.198 331 E C 2.812 179.410 176.600 -0.004 0.000 1.007 331 E CA 2.209 58.606 56.400 -0.005 0.000 0.845 331 E CB -0.625 29.073 29.700 -0.004 0.000 0.766 331 E HN 1.981 nan 8.360 nan 0.000 0.507 332 A N 0.263 123.081 122.820 -0.002 0.000 2.209 332 A HA 0.405 4.727 4.320 0.003 0.000 0.212 332 A C 2.683 180.265 177.584 -0.002 0.000 1.158 332 A CA 1.402 53.439 52.037 -0.000 0.000 0.742 332 A CB -0.467 18.535 19.000 0.002 0.000 0.790 332 A HN 0.885 nan 8.150 nan 0.000 0.472 333 A N 0.297 123.112 122.820 -0.007 0.000 1.917 333 A HA 0.029 4.351 4.320 0.003 0.000 0.219 333 A C 2.391 179.968 177.584 -0.011 0.000 1.182 333 A CA 2.030 54.059 52.037 -0.013 0.000 0.633 333 A CB -0.910 18.079 19.000 -0.018 0.000 0.819 333 A HN 1.136 nan 8.150 nan 0.000 0.448 334 A N -1.027 121.789 122.820 -0.008 0.000 2.172 334 A HA -0.048 4.274 4.320 0.003 0.000 0.216 334 A C 1.972 179.556 177.584 -0.000 0.000 1.154 334 A CA 1.501 53.534 52.037 -0.006 0.000 0.701 334 A CB -0.260 18.737 19.000 -0.005 0.000 0.789 334 A HN 0.577 nan 8.150 nan 0.000 0.465 335 K N -0.996 119.406 120.400 0.004 0.000 2.334 335 K HA 0.297 4.619 4.320 0.003 0.000 0.195 335 K C -0.150 176.462 176.600 0.020 0.000 1.045 335 K CA 0.081 56.375 56.287 0.011 0.000 1.004 335 K CB 0.351 32.858 32.500 0.012 0.000 0.837 335 K HN 0.417 nan 8.250 nan 0.000 0.510 336 I N 1.394 121.974 120.570 0.016 0.000 2.440 336 I HA 0.047 4.219 4.170 0.003 0.000 0.294 336 I C -0.152 175.986 176.117 0.036 0.000 0.995 336 I CA -0.271 61.045 61.300 0.028 0.000 1.306 336 I CB 1.783 39.787 38.000 0.008 0.000 1.407 336 I HN -0.116 nan 8.210 nan 0.000 0.501 337 S N 7.096 122.850 115.700 0.090 0.000 2.462 337 S HA 0.605 5.077 4.470 0.003 0.000 0.294 337 S C -0.508 174.169 174.600 0.128 0.000 1.144 337 S CA -0.622 57.654 58.200 0.126 0.000 1.088 337 S CB 1.308 64.624 63.200 0.195 0.000 1.009 337 S HN 0.544 nan 8.310 nan 0.000 0.484 338 M N 3.760 123.387 119.600 0.045 0.000 2.263 338 M HA 0.529 5.011 4.480 0.003 0.000 0.295 338 M C -0.995 175.331 176.300 0.044 0.000 1.028 338 M CA -0.213 55.061 55.300 -0.044 0.000 0.921 338 M CB 1.400 33.936 32.600 -0.107 0.000 1.601 338 M HN 0.726 nan 8.290 nan 0.000 0.440 339 S N 2.355 118.134 115.700 0.132 0.000 2.595 339 S HA 0.684 5.156 4.470 0.003 0.000 0.281 339 S C -1.044 173.676 174.600 0.199 0.000 1.117 339 S CA -0.816 57.504 58.200 0.201 0.000 0.873 339 S CB 1.994 65.339 63.200 0.242 0.000 1.108 339 S HN 0.690 nan 8.310 nan 0.000 0.477 340 S N 0.938 116.758 115.700 0.201 0.000 2.438 340 S HA 0.432 4.904 4.470 0.003 0.000 0.316 340 S C 1.044 175.687 174.600 0.072 0.000 1.084 340 S CA -0.119 58.146 58.200 0.109 0.000 1.107 340 S CB 0.350 63.563 63.200 0.023 0.000 0.981 340 S HN 0.958 nan 8.310 nan 0.000 0.466 341 T N 2.648 117.260 114.554 0.098 0.000 3.118 341 T HA 0.087 4.439 4.350 0.003 0.000 0.260 341 T C 1.279 176.017 174.700 0.064 0.000 1.139 341 T CA 0.376 62.524 62.100 0.080 0.000 1.085 341 T CB -0.234 68.734 68.868 0.167 0.000 0.934 341 T HN 0.659 nan 8.240 nan 0.000 0.518 342 K N 1.918 122.322 120.400 0.008 0.000 2.360 342 K HA -0.058 4.263 4.320 0.003 0.000 0.201 342 K C 2.626 179.214 176.600 -0.020 0.000 1.046 342 K CA 1.273 57.538 56.287 -0.037 0.000 0.945 342 K CB -0.241 32.162 32.500 -0.162 0.000 0.750 342 K HN 0.621 nan 8.250 nan 0.000 0.464 343 S N 0.021 115.710 115.700 -0.018 0.000 2.442 343 S HA -0.083 4.388 4.470 0.003 0.000 0.236 343 S C 1.878 176.476 174.600 -0.003 0.000 1.007 343 S CA 1.376 59.570 58.200 -0.010 0.000 0.965 343 S CB 0.050 63.247 63.200 -0.006 0.000 0.773 343 S HN 0.082 nan 8.310 nan 0.000 0.504 344 S N 1.477 117.175 115.700 -0.004 0.000 2.566 344 S HA 0.370 4.842 4.470 0.003 0.000 0.234 344 S C 1.582 176.192 174.600 0.016 0.000 1.075 344 S CA 0.408 58.602 58.200 -0.010 0.000 0.926 344 S CB -0.128 63.042 63.200 -0.051 0.000 0.811 344 S HN 0.780 nan 8.310 nan 0.000 0.518 345 I N -1.051 119.546 120.570 0.046 0.000 4.081 345 I HA 0.562 4.734 4.170 0.003 0.000 0.333 345 I C 0.856 177.002 176.117 0.048 0.000 1.413 345 I CA -0.165 61.172 61.300 0.062 0.000 1.110 345 I CB -0.150 37.926 38.000 0.127 0.000 1.082 345 I HN 0.280 nan 8.210 nan 0.000 0.402 346 G N 2.367 111.192 108.800 0.041 0.000 2.645 346 G HA2 -0.332 3.629 3.960 0.003 0.000 0.246 346 G HA3 -0.332 3.629 3.960 0.003 0.000 0.246 346 G C -0.713 174.214 174.900 0.045 0.000 1.322 346 G CA 0.282 45.414 45.100 0.053 0.000 0.898 346 G HN 0.707 nan 8.290 nan 0.000 0.573 347 H N 0.398 119.405 119.070 -0.105 0.000 2.623 347 H HA 0.579 5.136 4.556 0.003 0.000 0.299 347 H C 0.957 176.139 175.328 -0.244 0.000 1.052 347 H CA -1.114 54.769 56.048 -0.275 0.000 1.231 347 H CB 0.718 30.105 29.762 -0.626 0.000 1.389 347 H HN 0.332 nan 8.280 nan 0.000 0.469 348 L N 6.658 127.919 121.223 0.062 0.000 2.645 348 L HA 0.044 4.386 4.340 0.003 0.000 0.235 348 L C 1.383 178.155 176.870 -0.162 0.000 1.150 348 L CA 0.540 55.341 54.840 -0.066 0.000 0.911 348 L CB -1.099 40.931 42.059 -0.049 0.000 1.077 348 L HN 0.750 nan 8.230 nan 0.000 0.438 349 L N -1.337 119.647 121.223 -0.398 0.000 5.531 349 L HA -0.412 3.929 4.340 0.003 0.000 0.053 349 L C 1.851 178.638 176.870 -0.138 0.000 2.831 349 L CA 1.344 55.884 54.840 -0.500 0.000 1.552 349 L CB -1.802 39.962 42.059 -0.491 0.000 2.889 349 L HN 0.284 nan 8.230 nan 0.000 0.964 350 G N -1.206 107.526 108.800 -0.115 0.000 2.509 350 G HA2 0.107 4.069 3.960 0.003 0.000 0.218 350 G HA3 0.107 4.069 3.960 0.003 0.000 0.218 350 G C 1.255 176.131 174.900 -0.039 0.000 1.124 350 G CA 1.130 46.200 45.100 -0.051 0.000 0.776 350 G HN 0.836 nan 8.290 nan 0.000 0.547 351 A N 0.466 123.256 122.820 -0.049 0.000 2.178 351 A HA 0.611 4.932 4.320 0.003 0.000 0.211 351 A C 2.604 180.142 177.584 -0.077 0.000 1.157 351 A CA 1.314 53.317 52.037 -0.057 0.000 0.780 351 A CB -0.271 18.698 19.000 -0.053 0.000 0.828 351 A HN 0.515 nan 8.150 nan 0.000 0.476 352 A N 0.158 122.951 122.820 -0.045 0.000 1.892 352 A HA -0.006 4.316 4.320 0.003 0.000 0.218 352 A C 2.352 179.883 177.584 -0.089 0.000 1.188 352 A CA 2.059 54.070 52.037 -0.043 0.000 0.631 352 A CB -1.366 17.652 19.000 0.031 0.000 0.822 352 A HN 0.738 nan 8.150 nan 0.000 0.447 353 G N -1.084 107.670 108.800 -0.076 0.000 2.422 353 G HA2 0.071 4.033 3.960 0.003 0.000 0.218 353 G HA3 0.071 4.033 3.960 0.003 0.000 0.218 353 G C 1.654 176.474 174.900 -0.134 0.000 1.140 353 G CA 1.400 46.439 45.100 -0.101 0.000 0.775 353 G HN 0.811 nan 8.290 nan 0.000 0.545 354 A N 1.226 123.963 122.820 -0.139 0.000 1.872 354 A HA 0.391 4.713 4.320 0.003 0.000 0.214 354 A C 2.828 180.259 177.584 -0.255 0.000 1.187 354 A CA 1.978 53.913 52.037 -0.170 0.000 0.614 354 A CB -0.868 18.050 19.000 -0.137 0.000 0.826 354 A HN 0.713 nan 8.150 nan 0.000 0.442 355 A N 0.035 122.674 122.820 -0.300 0.000 1.908 355 A HA -0.217 4.105 4.320 0.003 0.000 0.218 355 A C 1.885 179.034 177.584 -0.726 0.000 1.181 355 A CA 1.884 53.595 52.037 -0.543 0.000 0.627 355 A CB -0.578 18.134 19.000 -0.480 0.000 0.818 355 A HN 0.641 nan 8.150 nan 0.000 0.445 356 E N -0.426 119.557 120.200 -0.361 0.000 2.208 356 E HA 0.039 4.390 4.350 0.003 0.000 0.193 356 E C 2.215 178.763 176.600 -0.087 0.000 0.988 356 E CA 0.692 57.012 56.400 -0.135 0.000 0.828 356 E CB -0.237 29.452 29.700 -0.018 0.000 0.763 356 E HN 0.631 nan 8.360 nan 0.000 0.478 357 A N 0.832 123.559 122.820 -0.155 0.000 1.898 357 A HA -0.136 4.186 4.320 0.003 0.000 0.216 357 A C 2.452 179.933 177.584 -0.173 0.000 1.181 357 A CA 1.030 52.987 52.037 -0.134 0.000 0.620 357 A CB -0.579 18.329 19.000 -0.153 0.000 0.819 357 A HN 0.118 nan 8.150 nan 0.000 0.442 358 V N -0.786 118.959 119.914 -0.281 0.000 2.295 358 V HA -0.238 3.884 4.120 0.003 0.000 0.246 358 V C 2.347 178.301 176.094 -0.234 0.000 1.049 358 V CA 2.011 64.114 62.300 -0.328 0.000 1.024 358 V CB -1.037 30.542 31.823 -0.406 0.000 0.648 358 V HN 0.539 nan 8.190 nan 0.000 0.447 359 F N 0.901 120.764 119.950 -0.144 0.000 2.171 359 F HA -0.120 4.408 4.527 0.003 0.000 0.300 359 F C 2.711 178.455 175.800 -0.093 0.000 1.090 359 F CA 1.331 59.266 58.000 -0.109 0.000 1.293 359 F CB -1.446 37.661 39.000 0.179 0.000 1.013 359 F HN 0.075 nan 8.300 nan 0.000 0.486 360 S N -0.589 115.231 115.700 0.200 0.000 2.382 360 S HA -0.167 4.305 4.470 0.003 0.000 0.228 360 S C 2.126 176.760 174.600 0.057 0.000 1.027 360 S CA 1.738 60.062 58.200 0.208 0.000 0.991 360 S CB -0.654 62.640 63.200 0.157 0.000 0.823 360 S HN 0.396 nan 8.310 nan 0.000 0.469 361 T N 2.916 117.432 114.554 -0.063 0.000 2.708 361 T HA 0.013 4.365 4.350 0.003 0.000 0.266 361 T C 1.708 176.309 174.700 -0.164 0.000 1.037 361 T CA 1.051 63.084 62.100 -0.113 0.000 1.146 361 T CB -0.415 68.324 68.868 -0.214 0.000 0.865 361 T HN 0.280 nan 8.240 nan 0.000 0.435 362 L N 0.642 121.630 121.223 -0.391 0.000 2.217 362 L HA 0.054 4.396 4.340 0.003 0.000 0.211 362 L C 2.990 179.677 176.870 -0.304 0.000 1.107 362 L CA 0.710 55.167 54.840 -0.638 0.000 0.783 362 L CB -0.645 40.403 42.059 -1.684 0.000 0.919 362 L HN 0.226 nan 8.230 nan 0.000 0.442 363 A N 0.640 123.389 122.820 -0.118 0.000 1.902 363 A HA -0.170 4.152 4.320 0.003 0.000 0.217 363 A C 2.221 179.843 177.584 0.063 0.000 1.181 363 A CA 1.464 53.559 52.037 0.095 0.000 0.623 363 A CB -0.543 18.429 19.000 -0.047 0.000 0.818 363 A HN 0.329 nan 8.150 nan 0.000 0.443 364 I N -1.129 119.471 120.570 0.050 0.000 2.142 364 I HA -0.246 3.926 4.170 0.003 0.000 0.240 364 I C 2.721 178.875 176.117 0.061 0.000 1.078 364 I CA 1.662 62.999 61.300 0.062 0.000 1.343 364 I CB -0.337 37.703 38.000 0.067 0.000 1.046 364 I HN 0.354 nan 8.210 nan 0.000 0.405 365 R N 0.804 121.335 120.500 0.052 0.000 2.083 365 R HA -0.207 4.134 4.340 0.003 0.000 0.237 365 R C 1.052 177.404 176.300 0.087 0.000 1.137 365 R CA 2.085 58.226 56.100 0.069 0.000 0.951 365 R CB -0.086 30.262 30.300 0.079 0.000 0.851 365 R HN 0.300 nan 8.270 nan 0.000 0.434 366 D N -0.011 120.467 120.400 0.130 0.000 2.369 366 D HA 0.058 4.700 4.640 0.003 0.000 0.211 366 D C -0.378 175.995 176.300 0.123 0.000 1.077 366 D CA 0.069 54.173 54.000 0.174 0.000 0.842 366 D CB 0.081 41.093 40.800 0.353 0.000 0.947 366 D HN 0.182 nan 8.370 nan 0.000 0.509 367 N N 0.851 119.605 118.700 0.091 0.000 2.705 367 N HA -0.227 4.514 4.740 0.003 0.000 0.255 367 N C -0.443 175.086 175.510 0.031 0.000 1.008 367 N CA 0.549 53.630 53.050 0.052 0.000 0.742 367 N CB -0.889 37.622 38.487 0.040 0.000 0.906 367 N HN 0.410 nan 8.380 nan 0.000 0.541 368 I N -0.782 119.807 120.570 0.031 0.000 2.644 368 I HA 0.484 4.655 4.170 0.003 0.000 0.291 368 I C -0.860 175.172 176.117 -0.141 0.000 1.180 368 I CA -0.721 60.557 61.300 -0.037 0.000 1.040 368 I CB 1.753 39.730 38.000 -0.037 0.000 1.255 368 I HN 0.122 nan 8.210 nan 0.000 0.422 369 A N 8.517 131.202 122.820 -0.226 0.000 2.276 369 A HA 0.733 5.054 4.320 0.003 0.000 0.300 369 A C -2.647 174.762 177.584 -0.291 0.000 1.235 369 A CA -1.540 50.243 52.037 -0.425 0.000 0.867 369 A CB 0.004 18.843 19.000 -0.270 0.000 1.137 369 A HN 0.428 nan 8.150 nan 0.000 0.527 370 P HA 0.206 nan 4.420 nan 0.000 0.268 370 P C 0.105 177.341 177.300 -0.106 0.000 1.208 370 P CA 0.235 63.191 63.100 -0.240 0.000 0.777 370 P CB 0.624 32.209 31.700 -0.193 0.000 0.875 371 A N 2.138 124.888 122.820 -0.116 0.000 2.332 371 A HA 0.387 4.708 4.320 0.003 0.000 0.258 371 A C 0.056 177.628 177.584 -0.019 0.000 1.087 371 A CA 0.079 52.081 52.037 -0.059 0.000 0.802 371 A CB -0.291 18.670 19.000 -0.065 0.000 1.042 371 A HN 0.483 nan 8.150 nan 0.000 0.489 372 T N 3.142 117.694 114.554 -0.003 0.000 2.811 372 T HA 0.407 4.758 4.350 0.003 0.000 0.309 372 T C 0.264 174.944 174.700 -0.033 0.000 1.005 372 T CA -0.033 62.076 62.100 0.015 0.000 0.955 372 T CB -0.434 68.480 68.868 0.077 0.000 0.970 372 T HN 0.411 nan 8.240 nan 0.000 0.496 373 L N 3.501 124.716 121.223 -0.013 0.000 2.483 373 L HA 0.154 4.496 4.340 0.003 0.000 0.275 373 L C 0.980 177.863 176.870 0.021 0.000 1.220 373 L CA -0.346 54.501 54.840 0.013 0.000 0.833 373 L CB 0.051 42.119 42.059 0.014 0.000 1.102 373 L HN 0.707 nan 8.230 nan 0.000 0.490 374 N N -0.012 118.740 118.700 0.087 0.000 2.878 374 N HA -0.190 4.552 4.740 0.003 0.000 0.247 374 N C -0.238 175.312 175.510 0.066 0.000 1.021 374 N CA 0.543 53.651 53.050 0.098 0.000 0.873 374 N CB -0.956 37.564 38.487 0.054 0.000 1.128 374 N HN 0.357 nan 8.380 nan 0.000 0.571 375 L N 2.413 123.602 121.223 -0.057 0.000 2.391 375 L HA 0.168 4.510 4.340 0.003 0.000 0.249 375 L C 1.006 177.851 176.870 -0.041 0.000 1.308 375 L CA 0.532 55.321 54.840 -0.085 0.000 1.209 375 L CB -0.116 41.852 42.059 -0.152 0.000 1.401 375 L HN -0.010 nan 8.230 nan 0.000 0.416 376 D N 1.168 121.639 120.400 0.118 0.000 2.120 376 D HA -0.004 4.637 4.640 0.003 0.000 0.202 376 D C 0.144 176.510 176.300 0.109 0.000 0.972 376 D CA 1.168 55.278 54.000 0.183 0.000 0.837 376 D CB 0.344 41.224 40.800 0.133 0.000 0.989 376 D HN 0.451 nan 8.370 nan 0.000 0.469 377 N N 0.931 119.674 118.700 0.071 0.000 2.577 377 N HA 0.239 4.981 4.740 0.003 0.000 0.275 377 N C -2.821 172.719 175.510 0.050 0.000 1.091 377 N CA -1.049 52.034 53.050 0.054 0.000 0.843 377 N CB 2.686 41.201 38.487 0.047 0.000 1.295 377 N HN -0.146 nan 8.380 nan 0.000 0.530 378 P HA 0.028 nan 4.420 nan 0.000 0.265 378 P C 0.440 177.774 177.300 0.056 0.000 1.193 378 P CA 0.049 63.182 63.100 0.055 0.000 0.765 378 P CB 0.833 32.548 31.700 0.024 0.000 0.823 379 A N 2.860 125.728 122.820 0.080 0.000 2.119 379 A HA 0.309 4.631 4.320 0.003 0.000 0.217 379 A C 0.970 178.586 177.584 0.053 0.000 1.153 379 A CA 1.544 53.621 52.037 0.067 0.000 0.692 379 A CB -0.486 18.564 19.000 0.082 0.000 0.799 379 A HN 0.613 nan 8.150 nan 0.000 0.458 380 A N -2.565 120.284 122.820 0.048 0.000 2.556 380 A HA 0.700 5.022 4.320 0.003 0.000 0.294 380 A C -0.346 177.243 177.584 0.008 0.000 1.091 380 A CA 0.169 52.222 52.037 0.027 0.000 0.704 380 A CB 0.492 19.510 19.000 0.029 0.000 1.300 380 A HN 0.899 nan 8.150 nan 0.000 0.406 381 Q N -0.246 119.554 119.800 0.001 0.000 2.274 381 Q HA 0.658 5.000 4.340 0.003 0.000 0.256 381 Q C -0.121 175.868 176.000 -0.018 0.000 0.927 381 Q CA 0.059 55.857 55.803 -0.008 0.000 0.939 381 Q CB 1.129 29.864 28.738 -0.004 0.000 1.201 381 Q HN 1.645 nan 8.270 nan 0.000 0.426 382 T N 0.514 115.049 114.554 -0.031 0.000 2.900 382 T HA 0.471 4.823 4.350 0.003 0.000 0.303 382 T C 0.382 175.058 174.700 -0.039 0.000 1.142 382 T CA -0.462 61.613 62.100 -0.041 0.000 1.007 382 T CB 1.230 70.057 68.868 -0.068 0.000 1.156 382 T HN 0.720 nan 8.240 nan 0.000 0.490 383 R N 1.889 122.369 120.500 -0.034 0.000 2.236 383 R HA 0.245 4.586 4.340 0.003 0.000 0.208 383 R C 0.642 176.921 176.300 -0.034 0.000 1.036 383 R CA 0.368 56.451 56.100 -0.028 0.000 1.001 383 R CB -0.199 30.090 30.300 -0.020 0.000 0.896 383 R HN 0.561 nan 8.270 nan 0.000 0.464 384 I N 2.288 122.827 120.570 -0.051 0.000 2.648 384 I HA -0.100 4.072 4.170 0.003 0.000 0.284 384 I C 0.308 176.385 176.117 -0.066 0.000 1.153 384 I CA -0.048 61.216 61.300 -0.060 0.000 1.426 384 I CB 0.290 38.235 38.000 -0.091 0.000 1.381 384 I HN -0.045 nan 8.210 nan 0.000 0.571 385 D N 7.024 127.399 120.400 -0.042 0.000 2.352 385 D HA 0.140 4.781 4.640 0.003 0.000 0.245 385 D C 0.485 176.758 176.300 -0.046 0.000 1.224 385 D CA 0.005 53.986 54.000 -0.033 0.000 0.879 385 D CB 0.664 41.462 40.800 -0.003 0.000 1.057 385 D HN 0.387 nan 8.370 nan 0.000 0.491 386 L N 3.346 124.521 121.223 -0.081 0.000 2.612 386 L HA 0.082 4.423 4.340 0.003 0.000 0.230 386 L C 0.494 177.341 176.870 -0.038 0.000 1.140 386 L CA -0.385 54.393 54.840 -0.103 0.000 0.896 386 L CB -0.090 41.852 42.059 -0.195 0.000 1.065 386 L HN 0.330 nan 8.230 nan 0.000 0.447 387 V N -0.573 119.326 119.914 -0.025 0.000 5.820 387 V HA -0.175 3.946 4.120 0.003 0.000 0.300 387 V C -2.083 173.976 176.094 -0.059 0.000 0.585 387 V CA -0.307 61.981 62.300 -0.019 0.000 0.629 387 V CB -2.044 29.788 31.823 0.016 0.000 0.291 387 V HN 0.339 nan 8.190 nan 0.000 0.887 388 P HA 0.189 nan 4.420 nan 0.000 0.271 388 P C 1.049 178.212 177.300 -0.228 0.000 1.216 388 P CA 0.965 63.886 63.100 -0.298 0.000 0.776 388 P CB 0.748 32.195 31.700 -0.422 0.000 0.881 389 H N -1.218 117.850 119.070 -0.004 0.000 4.919 389 H HA -0.221 4.336 4.556 0.003 0.000 0.068 389 H C 0.652 175.957 175.328 -0.039 0.000 0.578 389 H CA 2.573 58.610 56.048 -0.019 0.000 1.013 389 H CB -1.951 27.802 29.762 -0.016 0.000 0.454 389 H HN 0.706 nan 8.280 nan 0.000 0.774 390 K N 2.150 122.592 120.400 0.070 0.000 2.464 390 K HA 0.643 4.964 4.320 0.003 0.000 0.253 390 K C -2.980 173.592 176.600 -0.046 0.000 0.933 390 K CA -1.282 55.004 56.287 -0.003 0.000 0.801 390 K CB 2.009 34.511 32.500 0.003 0.000 1.271 390 K HN 0.008 nan 8.250 nan 0.000 0.430 391 P HA 0.319 nan 4.420 nan 0.000 0.271 391 P C -0.803 176.443 177.300 -0.091 0.000 1.233 391 P CA -0.415 62.610 63.100 -0.125 0.000 0.789 391 P CB 0.533 32.108 31.700 -0.208 0.000 0.951 392 R N 0.891 121.338 120.500 -0.087 0.000 2.476 392 R HA 0.237 4.578 4.340 0.003 0.000 0.305 392 R C -0.568 175.696 176.300 -0.060 0.000 0.965 392 R CA -0.432 55.634 56.100 -0.057 0.000 0.867 392 R CB 0.906 31.187 30.300 -0.032 0.000 1.176 392 R HN 0.424 nan 8.270 nan 0.000 0.447 393 E N 4.302 124.474 120.200 -0.047 0.000 2.384 393 E HA 0.133 4.485 4.350 0.003 0.000 0.266 393 E C -0.507 176.083 176.600 -0.016 0.000 1.012 393 E CA 0.202 56.584 56.400 -0.031 0.000 0.901 393 E CB 0.861 30.547 29.700 -0.023 0.000 0.967 393 E HN 0.591 nan 8.360 nan 0.000 0.435 394 R N 1.017 121.513 120.500 -0.007 0.000 2.753 394 R HA 0.218 4.560 4.340 0.003 0.000 0.272 394 R C -1.258 175.052 176.300 0.016 0.000 1.034 394 R CA -1.097 55.007 56.100 0.006 0.000 0.869 394 R CB 0.565 30.870 30.300 0.010 0.000 1.264 394 R HN 0.245 nan 8.270 nan 0.000 0.481 395 K N 2.086 122.499 120.400 0.021 0.000 2.466 395 K HA 0.088 4.410 4.320 0.003 0.000 0.278 395 K C -0.845 175.780 176.600 0.042 0.000 1.048 395 K CA 0.363 56.667 56.287 0.028 0.000 1.088 395 K CB 0.231 32.746 32.500 0.025 0.000 0.884 395 K HN 0.525 nan 8.250 nan 0.000 0.478 396 I N 5.162 125.761 120.570 0.048 0.000 2.476 396 I HA 0.096 4.268 4.170 0.003 0.000 0.281 396 I C -0.360 175.798 176.117 0.068 0.000 1.040 396 I CA -0.588 60.755 61.300 0.072 0.000 1.094 396 I CB 1.718 39.764 38.000 0.075 0.000 1.219 396 I HN 0.709 nan 8.210 nan 0.000 0.450 397 D N 3.850 124.290 120.400 0.065 0.000 2.422 397 D HA 0.174 4.816 4.640 0.003 0.000 0.218 397 D C 0.263 176.600 176.300 0.061 0.000 1.047 397 D CA 0.927 54.959 54.000 0.053 0.000 0.885 397 D CB 1.390 42.211 40.800 0.036 0.000 1.035 397 D HN 0.135 nan 8.370 nan 0.000 0.502 398 V N 1.053 121.010 119.914 0.071 0.000 2.531 398 V HA 0.710 4.831 4.120 0.003 0.000 0.301 398 V C -0.597 175.555 176.094 0.097 0.000 1.034 398 V CA -0.983 61.359 62.300 0.069 0.000 0.865 398 V CB 1.805 33.658 31.823 0.049 0.000 0.995 398 V HN 0.100 nan 8.190 nan 0.000 0.424 399 A N 4.766 127.644 122.820 0.096 0.000 2.342 399 A HA 0.909 5.230 4.320 0.003 0.000 0.323 399 A C -1.233 176.368 177.584 0.027 0.000 1.125 399 A CA -0.554 51.548 52.037 0.108 0.000 0.785 399 A CB 1.461 20.579 19.000 0.196 0.000 1.221 399 A HN 0.857 nan 8.150 nan 0.000 0.463 400 L N 2.192 123.392 121.223 -0.039 0.000 2.313 400 L HA 0.737 5.079 4.340 0.003 0.000 0.283 400 L C -0.079 176.731 176.870 -0.101 0.000 1.013 400 L CA 0.123 54.931 54.840 -0.053 0.000 0.816 400 L CB 1.811 43.842 42.059 -0.047 0.000 1.236 400 L HN 0.557 nan 8.230 nan 0.000 0.419 401 S N 4.378 120.031 115.700 -0.078 0.000 2.498 401 S HA 0.641 5.113 4.470 0.003 0.000 0.317 401 S C -0.788 173.724 174.600 -0.147 0.000 1.090 401 S CA -0.735 57.402 58.200 -0.105 0.000 1.089 401 S CB 0.343 63.498 63.200 -0.075 0.000 0.997 401 S HN 0.756 nan 8.310 nan 0.000 0.470 402 N N 2.191 120.761 118.700 -0.216 0.000 2.417 402 N HA 0.581 5.323 4.740 0.003 0.000 0.300 402 N C -1.394 173.765 175.510 -0.585 0.000 1.102 402 N CA -0.455 52.324 53.050 -0.451 0.000 0.886 402 N CB 1.927 40.111 38.487 -0.506 0.000 1.203 402 N HN 0.491 nan 8.380 nan 0.000 0.496 403 S N 1.203 116.397 115.700 -0.844 0.000 2.668 403 S HA 0.547 5.019 4.470 0.003 0.000 0.277 403 S C -1.437 172.707 174.600 -0.760 0.000 1.170 403 S CA -0.581 57.261 58.200 -0.595 0.000 0.994 403 S CB 0.508 63.557 63.200 -0.251 0.000 1.051 403 S HN 0.311 nan 8.310 nan 0.000 0.484 404 F N 1.652 121.230 119.950 -0.620 0.000 2.646 404 F HA 0.589 5.117 4.527 0.002 0.000 0.364 404 F C 0.748 176.305 175.800 -0.405 0.000 1.137 404 F CA -0.851 56.861 58.000 -0.480 0.000 1.085 404 F CB 1.246 39.983 39.000 -0.440 0.000 1.331 404 F HN 0.660 nan 8.300 nan 0.000 0.472 405 G N 0.972 109.826 108.800 0.089 0.000 2.488 405 G HA2 0.487 4.449 3.960 0.003 0.000 0.318 405 G HA3 0.487 4.449 3.960 0.003 0.000 0.318 405 G C -0.724 174.402 174.900 0.376 0.000 1.188 405 G CA -0.542 44.689 45.100 0.217 0.000 0.944 405 G HN 0.173 nan 8.290 nan 0.000 0.495 406 F N 0.380 120.437 119.950 0.178 0.000 2.635 406 F HA 0.313 4.842 4.527 0.002 0.000 0.379 406 F C 1.700 177.570 175.800 0.118 0.000 1.094 406 F CA 1.206 59.307 58.000 0.168 0.000 1.300 406 F CB 0.781 39.890 39.000 0.182 0.000 1.035 406 F HN 0.917 nan 8.300 nan 0.000 0.581 407 G N 1.296 110.210 108.800 0.189 0.000 2.175 407 G HA2 0.006 3.968 3.960 0.003 0.000 0.244 407 G HA3 0.006 3.968 3.960 0.003 0.000 0.244 407 G C 0.940 175.905 174.900 0.108 0.000 0.982 407 G CA 0.381 45.544 45.100 0.105 0.000 0.641 407 G HN 1.966 nan 8.290 nan 0.000 0.527 408 G N -1.188 107.703 108.800 0.151 0.000 2.160 408 G HA2 0.083 4.045 3.960 0.003 0.000 0.244 408 G HA3 0.083 4.045 3.960 0.003 0.000 0.244 408 G C 0.403 175.385 174.900 0.137 0.000 1.022 408 G CA 1.371 46.556 45.100 0.141 0.000 0.741 408 G HN 2.029 nan 8.290 nan 0.000 0.508 409 T N 0.637 115.291 114.554 0.168 0.000 2.728 409 T HA 0.551 4.902 4.350 0.003 0.000 0.296 409 T C -0.022 174.816 174.700 0.229 0.000 0.940 409 T CA -0.441 61.774 62.100 0.192 0.000 1.013 409 T CB 0.190 69.175 68.868 0.196 0.000 0.912 409 T HN 0.288 nan 8.240 nan 0.000 0.484 410 N N 3.246 122.080 118.700 0.224 0.000 2.321 410 N HA 0.733 5.475 4.740 0.003 0.000 0.299 410 N C -1.165 174.393 175.510 0.080 0.000 1.048 410 N CA -0.563 52.635 53.050 0.248 0.000 0.836 410 N CB 2.035 40.693 38.487 0.285 0.000 1.269 410 N HN 0.782 nan 8.380 nan 0.000 0.486 411 A N 0.623 123.400 122.820 -0.073 0.000 2.520 411 A HA 0.778 5.100 4.320 0.003 0.000 0.298 411 A C -0.952 176.543 177.584 -0.149 0.000 1.051 411 A CA -0.540 51.359 52.037 -0.229 0.000 0.690 411 A CB 1.246 19.833 19.000 -0.687 0.000 1.281 411 A HN 0.441 nan 8.150 nan 0.000 0.402 412 S N 0.431 116.106 115.700 -0.040 0.000 2.548 412 S HA 0.781 5.253 4.470 0.003 0.000 0.286 412 S C -1.043 173.601 174.600 0.073 0.000 1.098 412 S CA -0.433 57.755 58.200 -0.020 0.000 0.930 412 S CB 1.368 64.580 63.200 0.019 0.000 1.070 412 S HN 0.609 nan 8.310 nan 0.000 0.480 413 L N 2.063 123.296 121.223 0.017 0.000 2.362 413 L HA 0.707 5.048 4.340 0.003 0.000 0.271 413 L C -1.207 175.670 176.870 0.012 0.000 1.002 413 L CA -0.884 53.972 54.840 0.028 0.000 0.818 413 L CB 2.006 44.037 42.059 -0.047 0.000 1.298 413 L HN 0.356 nan 8.230 nan 0.000 0.420 414 V N 4.301 124.231 119.914 0.027 0.000 2.409 414 V HA 0.482 4.604 4.120 0.003 0.000 0.291 414 V C -0.165 175.940 176.094 0.019 0.000 1.020 414 V CA -0.458 61.855 62.300 0.022 0.000 0.848 414 V CB 1.769 33.611 31.823 0.032 0.000 0.990 414 V HN 0.489 nan 8.190 nan 0.000 0.430 415 L N 5.008 126.243 121.223 0.022 0.000 2.334 415 L HA 0.766 5.107 4.340 0.003 0.000 0.273 415 L C -0.168 176.729 176.870 0.045 0.000 1.013 415 L CA -0.684 54.172 54.840 0.027 0.000 0.816 415 L CB 2.053 44.124 42.059 0.020 0.000 1.278 415 L HN 0.603 nan 8.230 nan 0.000 0.431 416 R N 1.662 122.194 120.500 0.053 0.000 2.673 416 R HA 0.390 4.731 4.340 0.003 0.000 0.281 416 R C -0.615 175.732 176.300 0.077 0.000 0.991 416 R CA -0.878 55.257 56.100 0.060 0.000 0.896 416 R CB 2.095 32.425 30.300 0.050 0.000 1.201 416 R HN 0.633 nan 8.270 nan 0.000 0.457 417 R N 2.566 123.107 120.500 0.069 0.000 2.587 417 R HA -0.161 4.181 4.340 0.003 0.000 0.268 417 R C -1.138 175.218 176.300 0.093 0.000 0.978 417 R CA 0.470 56.616 56.100 0.076 0.000 1.097 417 R CB 0.290 30.614 30.300 0.041 0.000 0.917 417 R HN 0.566 nan 8.270 nan 0.000 0.414 418 Y N 4.188 124.493 120.300 0.009 0.000 2.383 418 Y HA 0.162 4.713 4.550 0.002 0.000 0.344 418 Y C 0.211 176.109 175.900 -0.003 0.000 0.986 418 Y CA 0.227 58.327 58.100 0.001 0.000 1.175 418 Y CB 1.502 39.959 38.460 -0.005 0.000 1.152 418 Y HN 0.693 nan 8.280 nan 0.000 0.511 419 T N 4.317 118.459 114.554 -0.688 0.000 3.082 419 T HA 0.616 4.968 4.350 0.003 0.000 0.235 419 T C -0.023 174.199 174.700 -0.798 0.000 0.991 419 T CA 0.721 62.495 62.100 -0.543 0.000 1.220 419 T CB -0.003 68.698 68.868 -0.279 0.000 0.909 419 T HN 0.670 nan 8.240 nan 0.000 0.424 420 A N 0.000 122.334 122.820 -0.810 0.000 2.254 420 A HA 0.000 4.322 4.320 0.003 0.000 0.244 420 A CA 0.000 51.753 52.037 -0.474 0.000 0.836 420 A CB 0.000 18.879 19.000 -0.201 0.000 0.831 420 A HN 0.000 nan 8.150 nan 0.000 0.486