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 3l70_1_O DATA FIRST_RESID 18 DATA SEQUENCE CPGAEDLEIT KLPNGLIIAS LENFSPASRI GVFIKAGSRY ETTANLGTAH DATA SEQUENCE LLRLASPLTT KGASSFRITR GIEAVGGSLS VYSTREKMTY CVECLRDHVD DATA SEQUENCE TVMEYLLNVT TAPEFRPWEV TDLQPQLKVD KAVAFQSPQV GVLENLHAAA DATA SEQUENCE YKTALANPLY CPDYRIGKIT SEQLHHFVQN NFTSARMALV GIGVKHSDLK DATA SEQUENCE QVAEQFLNIR SGAGTSSAKA TYWGGEIREQ NGHSLVHAAV VTEGAAVGSA DATA SEQUENCE EANAFSVLQH VLGAGPLIKR GSSVTSKLYQ GVAKATTQPF DASAFNVNYS DATA SEQUENCE DSGLFGFYTI SQAAHAGEVI RAAMNQLKAA AQGGVTEEDV TKAKNQLKAT DATA SEQUENCE YLMSVETAQG LLNEIGSEAL LSGTHTAPSV VAQKIDSVTS ADVVNAAKKF DATA SEQUENCE VSGKKSMAAS GDLGSTPFLD EL 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 18 C HA 0.000 nan 4.460 nan 0.000 0.325 18 C C 0.000 174.855 174.990 -0.225 0.000 1.270 18 C CA 0.000 58.941 59.018 -0.128 0.000 1.963 18 C CB 0.000 27.684 27.740 -0.094 0.000 2.134 19 P HA 0.390 nan 4.420 nan 0.000 0.270 19 P C 0.248 177.197 177.300 -0.585 0.000 1.181 19 P CA 1.725 64.313 63.100 -0.854 0.000 0.767 19 P CB -0.026 30.829 31.700 -1.409 0.000 0.799 20 G N -0.746 107.743 108.800 -0.518 0.000 3.000 20 G HA2 0.582 4.542 3.960 0.000 0.000 0.170 20 G HA3 0.582 4.542 3.960 0.000 0.000 0.170 20 G C -1.476 173.430 174.900 0.010 0.000 1.160 20 G CA -0.103 44.890 45.100 -0.178 0.000 0.945 20 G HN 0.664 nan 8.290 nan 0.000 0.593 21 A N 0.037 122.883 122.820 0.042 0.000 2.302 21 A HA 0.686 5.006 4.320 0.000 0.000 0.295 21 A C -0.123 177.526 177.584 0.109 0.000 1.235 21 A CA 0.131 52.215 52.037 0.078 0.000 0.876 21 A CB 0.789 19.811 19.000 0.037 0.000 1.133 21 A HN 0.485 nan 8.150 nan 0.000 0.533 22 E N 1.415 121.697 120.200 0.136 0.000 2.259 22 E HA 0.524 4.874 4.350 0.000 0.000 0.257 22 E C -1.062 175.553 176.600 0.026 0.000 0.998 22 E CA -0.495 55.962 56.400 0.095 0.000 0.866 22 E CB 1.140 30.894 29.700 0.091 0.000 1.220 22 E HN 0.708 nan 8.360 nan 0.000 0.415 23 D N 1.945 122.340 120.400 -0.008 0.000 2.649 23 D HA 0.128 4.768 4.640 0.000 0.000 0.249 23 D C -0.538 175.715 176.300 -0.078 0.000 1.112 23 D CA -0.779 53.195 54.000 -0.043 0.000 0.850 23 D CB 1.129 41.906 40.800 -0.039 0.000 1.399 23 D HN 0.364 nan 8.370 nan 0.000 0.503 24 L N 1.991 123.145 121.223 -0.115 0.000 2.546 24 L HA 0.090 4.430 4.340 0.000 0.000 0.272 24 L C 0.149 176.932 176.870 -0.145 0.000 1.327 24 L CA 0.417 55.170 54.840 -0.145 0.000 1.199 24 L CB -1.309 40.588 42.059 -0.270 0.000 1.401 24 L HN 0.305 nan 8.230 nan 0.000 0.440 25 E N 3.922 124.018 120.200 -0.173 0.000 2.410 25 E HA 0.337 4.687 4.350 0.000 0.000 0.255 25 E C -0.062 176.356 176.600 -0.303 0.000 1.194 25 E CA -0.016 56.175 56.400 -0.350 0.000 0.955 25 E CB 1.169 30.459 29.700 -0.683 0.000 0.988 25 E HN 0.599 nan 8.360 nan 0.000 0.461 26 I N 1.087 121.470 120.570 -0.313 0.000 2.537 26 I HA 0.077 4.248 4.170 0.000 0.000 0.258 26 I C -0.901 175.230 176.117 0.023 0.000 1.317 26 I CA -0.086 61.209 61.300 -0.009 0.000 1.123 26 I CB 0.432 38.438 38.000 0.011 0.000 1.459 26 I HN 0.448 nan 8.210 nan 0.000 0.473 27 T N 4.590 119.237 114.554 0.154 0.000 2.729 27 T HA 0.281 4.631 4.350 0.000 0.000 0.298 27 T C -0.228 174.521 174.700 0.083 0.000 1.013 27 T CA -0.431 61.742 62.100 0.122 0.000 0.957 27 T CB 0.741 69.730 68.868 0.200 0.000 1.130 27 T HN 0.544 nan 8.240 nan 0.000 0.526 28 K N 1.013 121.446 120.400 0.055 0.000 2.690 28 K HA 0.300 4.620 4.320 0.000 0.000 0.264 28 K C -1.167 175.450 176.600 0.028 0.000 1.040 28 K CA -0.383 55.926 56.287 0.037 0.000 0.946 28 K CB 0.696 33.213 32.500 0.028 0.000 1.268 28 K HN 0.469 nan 8.250 nan 0.000 0.473 29 L N 4.825 126.063 121.223 0.025 0.000 2.476 29 L HA 0.162 4.502 4.340 0.000 0.000 0.264 29 L C -1.393 175.486 176.870 0.015 0.000 1.224 29 L CA -1.637 53.213 54.840 0.017 0.000 0.821 29 L CB 0.392 42.458 42.059 0.013 0.000 1.101 29 L HN 0.546 nan 8.230 nan 0.000 0.488 30 P HA -0.189 nan 4.420 nan 0.000 0.217 30 P C 0.621 177.928 177.300 0.012 0.000 1.151 30 P CA 1.590 64.696 63.100 0.010 0.000 0.849 30 P CB -0.150 31.554 31.700 0.007 0.000 0.787 31 N N -2.000 116.708 118.700 0.012 0.000 2.521 31 N HA 0.021 4.761 4.740 0.000 0.000 0.188 31 N C 1.094 176.614 175.510 0.017 0.000 1.146 31 N CA 0.650 53.709 53.050 0.014 0.000 0.893 31 N CB -0.438 38.057 38.487 0.014 0.000 0.975 31 N HN 0.115 nan 8.380 nan 0.000 0.451 32 G N 0.548 109.358 108.800 0.018 0.000 2.157 32 G HA2 -0.260 3.700 3.960 0.000 0.000 0.239 32 G HA3 -0.260 3.700 3.960 0.000 0.000 0.239 32 G C -0.190 174.724 174.900 0.022 0.000 0.982 32 G CA -0.006 45.106 45.100 0.020 0.000 0.650 32 G HN 0.354 nan 8.290 nan 0.000 0.527 33 L N 2.130 123.366 121.223 0.021 0.000 2.385 33 L HA 0.609 4.949 4.340 0.000 0.000 0.281 33 L C 0.602 177.486 176.870 0.024 0.000 1.106 33 L CA -0.461 54.393 54.840 0.022 0.000 0.856 33 L CB 0.149 42.220 42.059 0.020 0.000 1.186 33 L HN 0.196 nan 8.230 nan 0.000 0.453 34 I N 6.442 127.027 120.570 0.024 0.000 2.395 34 I HA 0.231 4.401 4.170 0.000 0.000 0.289 34 I C -0.161 175.971 176.117 0.025 0.000 1.023 34 I CA -0.111 61.205 61.300 0.026 0.000 1.350 34 I CB 0.812 38.823 38.000 0.019 0.000 1.409 34 I HN 0.514 nan 8.210 nan 0.000 0.507 35 I N 6.335 126.930 120.570 0.042 0.000 2.390 35 I HA 0.456 4.626 4.170 0.000 0.000 0.283 35 I C 0.146 176.329 176.117 0.110 0.000 1.016 35 I CA -0.357 60.958 61.300 0.025 0.000 1.151 35 I CB 1.456 39.433 38.000 -0.038 0.000 1.293 35 I HN 0.571 nan 8.210 nan 0.000 0.458 36 A N 4.535 127.390 122.820 0.059 0.000 2.282 36 A HA 0.868 5.188 4.320 0.000 0.000 0.319 36 A C -0.198 177.446 177.584 0.100 0.000 1.121 36 A CA -0.426 51.666 52.037 0.092 0.000 0.836 36 A CB 1.549 20.544 19.000 -0.009 0.000 1.146 36 A HN 0.617 nan 8.150 nan 0.000 0.494 37 S N 0.137 115.934 115.700 0.163 0.000 2.548 37 S HA 0.544 5.014 4.470 0.000 0.000 0.278 37 S C -2.095 172.545 174.600 0.066 0.000 1.150 37 S CA -0.440 57.847 58.200 0.144 0.000 0.907 37 S CB 1.112 64.501 63.200 0.315 0.000 1.108 37 S HN 1.886 nan 8.310 nan 0.000 0.459 38 L N 3.311 124.535 121.223 0.001 0.000 2.516 38 L HA 0.755 5.095 4.340 0.000 0.000 0.267 38 L C -1.111 175.712 176.870 -0.078 0.000 0.957 38 L CA -0.188 54.626 54.840 -0.043 0.000 0.860 38 L CB 1.894 43.921 42.059 -0.054 0.000 1.265 38 L HN 0.807 nan 8.230 nan 0.000 0.403 39 E N 2.920 123.042 120.200 -0.131 0.000 2.046 39 E HA 0.341 4.691 4.350 0.000 0.000 0.279 39 E C -0.190 176.261 176.600 -0.247 0.000 0.989 39 E CA -0.090 56.141 56.400 -0.281 0.000 0.798 39 E CB 0.516 29.946 29.700 -0.449 0.000 1.086 39 E HN 0.585 nan 8.360 nan 0.000 0.399 40 N N 4.370 122.986 118.700 -0.140 0.000 2.238 40 N HA 0.025 4.766 4.740 0.000 0.000 0.222 40 N C -0.388 175.220 175.510 0.164 0.000 1.133 40 N CA -0.515 52.560 53.050 0.043 0.000 0.854 40 N CB -0.654 37.855 38.487 0.037 0.000 1.041 40 N HN 0.501 nan 8.380 nan 0.000 0.510 41 F N -0.517 119.435 119.950 0.003 0.000 3.106 41 F HA -0.296 4.231 4.527 0.000 0.000 0.281 41 F C 0.887 176.688 175.800 0.003 0.000 0.869 41 F CA 0.713 58.714 58.000 0.002 0.000 1.014 41 F CB -2.283 36.717 39.000 0.000 0.000 1.131 41 F HN 0.164 nan 8.300 nan 0.000 0.546 42 S N 1.615 117.378 115.700 0.105 0.000 2.572 42 S HA 0.191 4.661 4.470 0.000 0.000 0.279 42 S C -0.230 174.406 174.600 0.061 0.000 1.341 42 S CA -0.753 57.492 58.200 0.075 0.000 1.043 42 S CB 1.007 64.233 63.200 0.044 0.000 0.887 42 S HN 0.085 nan 8.310 nan 0.000 0.516 43 P HA 0.066 nan 4.420 nan 0.000 0.225 43 P C -0.037 177.282 177.300 0.032 0.000 1.148 43 P CA 0.667 63.792 63.100 0.043 0.000 0.779 43 P CB -0.039 31.684 31.700 0.039 0.000 0.780 44 A N -0.752 122.088 122.820 0.033 0.000 2.380 44 A HA 0.634 4.954 4.320 0.000 0.000 0.315 44 A C -0.065 177.535 177.584 0.027 0.000 1.101 44 A CA -0.387 51.671 52.037 0.034 0.000 0.771 44 A CB 1.404 20.428 19.000 0.040 0.000 1.287 44 A HN -0.028 nan 8.150 nan 0.000 0.436 45 S N -0.231 115.487 115.700 0.031 0.000 2.718 45 S HA 0.831 5.301 4.470 0.000 0.000 0.300 45 S C -0.138 174.488 174.600 0.043 0.000 1.117 45 S CA -0.718 57.498 58.200 0.026 0.000 1.002 45 S CB 1.388 64.601 63.200 0.022 0.000 1.092 45 S HN 0.743 nan 8.310 nan 0.000 0.542 46 R N 1.262 121.790 120.500 0.047 0.000 2.912 46 R HA 0.406 4.746 4.340 0.000 0.000 0.278 46 R C -1.858 174.490 176.300 0.080 0.000 1.533 46 R CA -0.082 56.057 56.100 0.066 0.000 1.061 46 R CB 0.001 30.340 30.300 0.065 0.000 1.313 46 R HN 0.645 nan 8.270 nan 0.000 0.443 47 I N 2.492 123.113 120.570 0.085 0.000 2.488 47 I HA 0.698 4.868 4.170 0.000 0.000 0.299 47 I C 0.586 176.779 176.117 0.127 0.000 0.984 47 I CA -0.733 60.626 61.300 0.097 0.000 1.250 47 I CB 2.101 40.146 38.000 0.074 0.000 1.389 47 I HN 0.747 nan 8.210 nan 0.000 0.488 48 G N 3.499 112.406 108.800 0.178 0.000 2.718 48 G HA2 0.574 4.534 3.960 0.000 0.000 0.295 48 G HA3 0.574 4.534 3.960 0.000 0.000 0.295 48 G C -1.757 173.280 174.900 0.228 0.000 1.421 48 G CA -0.375 44.831 45.100 0.176 0.000 0.902 48 G HN 0.303 nan 8.290 nan 0.000 0.501 49 V N 1.643 121.623 119.914 0.109 0.000 2.313 49 V HA 0.445 4.565 4.120 0.000 0.000 0.278 49 V C -0.873 175.252 176.094 0.052 0.000 1.017 49 V CA -0.620 61.750 62.300 0.116 0.000 0.823 49 V CB 0.418 32.236 31.823 -0.007 0.000 1.010 49 V HN 0.502 nan 8.190 nan 0.000 0.443 50 F N 5.426 125.382 119.950 0.009 0.000 2.394 50 F HA 0.677 5.204 4.527 0.000 0.000 0.340 50 F C 0.315 176.084 175.800 -0.051 0.000 1.105 50 F CA -0.782 57.224 58.000 0.009 0.000 1.124 50 F CB 1.097 40.112 39.000 0.024 0.000 1.145 50 F HN 0.235 nan 8.300 nan 0.000 0.505 51 I N 2.304 122.909 120.570 0.057 0.000 2.722 51 I HA 0.268 4.438 4.170 0.000 0.000 0.295 51 I C -0.752 175.366 176.117 0.002 0.000 1.161 51 I CA -1.121 60.138 61.300 -0.068 0.000 1.032 51 I CB 2.463 40.227 38.000 -0.392 0.000 1.244 51 I HN 0.381 nan 8.210 nan 0.000 0.421 52 K N 4.830 125.233 120.400 0.005 0.000 2.171 52 K HA 0.679 4.999 4.320 0.000 0.000 0.274 52 K C -0.576 175.957 176.600 -0.113 0.000 1.110 52 K CA -0.112 56.202 56.287 0.044 0.000 0.952 52 K CB 0.724 33.274 32.500 0.085 0.000 1.309 52 K HN 0.690 nan 8.250 nan 0.000 0.414 53 A N 1.679 124.482 122.820 -0.029 0.000 2.597 53 A HA 0.841 5.161 4.320 0.000 0.000 0.292 53 A C -0.711 177.021 177.584 0.248 0.000 1.057 53 A CA -0.270 51.711 52.037 -0.094 0.000 0.674 53 A CB 1.864 21.001 19.000 0.228 0.000 1.278 53 A HN 0.661 nan 8.150 nan 0.000 0.416 54 G N -0.911 108.161 108.800 0.453 0.000 2.337 54 G HA2 0.551 4.511 3.960 0.000 0.000 0.298 54 G HA3 0.551 4.511 3.960 0.000 0.000 0.298 54 G C 0.605 175.739 174.900 0.391 0.000 1.335 54 G CA 0.624 45.939 45.100 0.358 0.000 0.875 54 G HN 2.029 nan 8.290 nan 0.000 0.579 55 S N -0.523 115.265 115.700 0.147 0.000 2.520 55 S HA -0.195 4.275 4.470 0.000 0.000 0.249 55 S C 1.957 176.630 174.600 0.122 0.000 0.983 55 S CA 1.659 59.912 58.200 0.089 0.000 0.958 55 S CB -0.205 62.979 63.200 -0.027 0.000 0.750 55 S HN 0.764 nan 8.310 nan 0.000 0.527 56 R N 0.206 120.800 120.500 0.157 0.000 2.092 56 R HA -0.060 4.280 4.340 0.000 0.000 0.231 56 R C 0.962 177.224 176.300 -0.064 0.000 1.119 56 R CA 1.314 57.397 56.100 -0.028 0.000 0.970 56 R CB -0.249 29.961 30.300 -0.150 0.000 0.864 56 R HN 0.585 nan 8.270 nan 0.000 0.440 57 Y N 0.812 121.187 120.300 0.124 0.000 2.490 57 Y HA 0.225 4.775 4.550 0.000 0.000 0.281 57 Y C 0.121 176.128 175.900 0.178 0.000 1.174 57 Y CA -0.141 58.029 58.100 0.116 0.000 1.295 57 Y CB -0.005 38.484 38.460 0.049 0.000 1.062 57 Y HN 0.007 nan 8.280 nan 0.000 0.522 58 E N 0.026 120.418 120.200 0.320 0.000 2.373 58 E HA 0.261 4.611 4.350 0.000 0.000 0.263 58 E C -0.187 176.493 176.600 0.135 0.000 1.073 58 E CA 0.017 56.560 56.400 0.238 0.000 0.894 58 E CB 0.883 30.671 29.700 0.146 0.000 1.008 58 E HN 0.009 nan 8.360 nan 0.000 0.420 59 T N 0.468 115.093 114.554 0.118 0.000 2.942 59 T HA 0.058 4.408 4.350 0.000 0.000 0.289 59 T C 1.150 175.895 174.700 0.075 0.000 1.044 59 T CA -0.605 61.544 62.100 0.082 0.000 1.023 59 T CB 1.617 70.534 68.868 0.081 0.000 1.123 59 T HN 0.539 nan 8.240 nan 0.000 0.512 60 T N 1.223 115.817 114.554 0.067 0.000 2.802 60 T HA -0.183 4.167 4.350 0.000 0.000 0.269 60 T C 1.956 176.714 174.700 0.096 0.000 1.062 60 T CA 1.934 64.084 62.100 0.083 0.000 1.133 60 T CB -0.463 68.442 68.868 0.062 0.000 0.852 60 T HN 0.629 nan 8.240 nan 0.000 0.485 61 A N 2.065 124.931 122.820 0.076 0.000 1.929 61 A HA -0.018 4.302 4.320 0.000 0.000 0.216 61 A C 1.806 179.425 177.584 0.059 0.000 1.176 61 A CA 1.598 53.678 52.037 0.070 0.000 0.628 61 A CB -0.282 18.756 19.000 0.062 0.000 0.816 61 A HN 0.749 nan 8.150 nan 0.000 0.444 62 N N -0.201 118.533 118.700 0.058 0.000 2.338 62 N HA 0.204 4.944 4.740 0.000 0.000 0.251 62 N C -0.372 175.132 175.510 -0.011 0.000 1.199 62 N CA -0.365 52.702 53.050 0.028 0.000 0.879 62 N CB -0.717 37.813 38.487 0.071 0.000 1.159 62 N HN 0.345 nan 8.380 nan 0.000 0.514 63 L N 0.336 121.554 121.223 -0.009 0.000 2.573 63 L HA 0.096 4.436 4.340 0.000 0.000 0.290 63 L C 1.639 178.438 176.870 -0.118 0.000 1.247 63 L CA 1.475 56.288 54.840 -0.045 0.000 0.876 63 L CB 0.022 42.057 42.059 -0.041 0.000 1.123 63 L HN 0.533 nan 8.230 nan 0.000 0.505 64 G N 0.911 109.645 108.800 -0.109 0.000 2.284 64 G HA2 -0.394 3.566 3.960 0.000 0.000 0.247 64 G HA3 -0.394 3.566 3.960 0.000 0.000 0.247 64 G C 1.006 175.792 174.900 -0.191 0.000 1.012 64 G CA 0.817 45.843 45.100 -0.124 0.000 0.618 64 G HN 0.711 nan 8.290 nan 0.000 0.521 65 T N 0.570 114.976 114.554 -0.246 0.000 2.737 65 T HA 0.073 4.423 4.350 0.000 0.000 0.269 65 T C 2.663 177.047 174.700 -0.526 0.000 1.040 65 T CA 3.009 64.889 62.100 -0.366 0.000 1.142 65 T CB -0.497 68.165 68.868 -0.342 0.000 0.861 65 T HN 1.441 nan 8.240 nan 0.000 0.456 66 A N 0.045 122.510 122.820 -0.591 0.000 1.902 66 A HA -0.092 4.228 4.320 0.000 0.000 0.217 66 A C 2.158 179.602 177.584 -0.233 0.000 1.181 66 A CA 2.078 53.765 52.037 -0.583 0.000 0.623 66 A CB -1.222 17.540 19.000 -0.396 0.000 0.818 66 A HN 0.871 nan 8.150 nan 0.000 0.443 67 H N -1.084 117.824 119.070 -0.270 0.000 2.290 67 H HA -0.150 4.406 4.556 0.000 0.000 0.298 67 H C 2.043 177.261 175.328 -0.184 0.000 1.087 67 H CA 1.531 57.460 56.048 -0.198 0.000 1.291 67 H CB -0.088 29.585 29.762 -0.148 0.000 1.369 67 H HN 0.351 nan 8.280 nan 0.000 0.492 68 L N 0.798 121.882 121.223 -0.232 0.000 2.079 68 L HA -0.144 4.197 4.340 0.000 0.000 0.210 68 L C 2.355 179.081 176.870 -0.240 0.000 1.081 68 L CA 1.212 55.868 54.840 -0.306 0.000 0.752 68 L CB -0.735 41.120 42.059 -0.339 0.000 0.896 68 L HN 0.372 nan 8.230 nan 0.000 0.433 69 L N -0.347 120.724 121.223 -0.253 0.000 2.083 69 L HA -0.200 4.140 4.340 0.000 0.000 0.209 69 L C 2.742 179.600 176.870 -0.020 0.000 1.083 69 L CA 1.850 56.582 54.840 -0.181 0.000 0.752 69 L CB -0.608 41.342 42.059 -0.182 0.000 0.899 69 L HN 0.327 nan 8.230 nan 0.000 0.433 70 R N -0.689 119.787 120.500 -0.039 0.000 2.083 70 R HA -0.148 4.192 4.340 0.000 0.000 0.237 70 R C 2.148 178.415 176.300 -0.054 0.000 1.137 70 R CA 1.895 57.958 56.100 -0.062 0.000 0.951 70 R CB -0.353 29.920 30.300 -0.046 0.000 0.851 70 R HN 0.434 nan 8.270 nan 0.000 0.434 71 L N -0.124 121.080 121.223 -0.032 0.000 2.465 71 L HA 0.051 4.391 4.340 0.000 0.000 0.224 71 L C 1.978 178.826 176.870 -0.036 0.000 1.145 71 L CA 0.544 55.360 54.840 -0.040 0.000 0.834 71 L CB -0.159 41.862 42.059 -0.064 0.000 0.944 71 L HN 0.278 nan 8.230 nan 0.000 0.451 72 A N -0.320 122.487 122.820 -0.021 0.000 2.251 72 A HA 0.011 4.332 4.320 0.000 0.000 0.209 72 A C 2.276 179.934 177.584 0.123 0.000 1.187 72 A CA 0.690 52.745 52.037 0.031 0.000 0.823 72 A CB -0.270 18.725 19.000 -0.009 0.000 0.846 72 A HN 0.431 nan 8.150 nan 0.000 0.486 73 S N 1.587 117.358 115.700 0.119 0.000 2.387 73 S HA -0.125 4.346 4.470 0.000 0.000 0.230 73 S C -0.247 174.419 174.600 0.109 0.000 1.035 73 S CA 1.535 59.839 58.200 0.174 0.000 1.014 73 S CB -1.464 61.809 63.200 0.122 0.000 0.836 73 S HN 0.614 nan 8.310 nan 0.000 0.466 74 P HA 0.263 nan 4.420 nan 0.000 0.249 74 P C 0.207 177.526 177.300 0.032 0.000 1.229 74 P CA 0.034 63.148 63.100 0.024 0.000 0.788 74 P CB -0.105 31.593 31.700 -0.004 0.000 1.072 75 L N 0.870 122.124 121.223 0.052 0.000 2.452 75 L HA 0.137 4.477 4.340 0.000 0.000 0.267 75 L C 1.290 178.173 176.870 0.022 0.000 1.188 75 L CA -0.364 54.500 54.840 0.041 0.000 0.821 75 L CB -0.070 42.030 42.059 0.068 0.000 1.102 75 L HN -0.020 nan 8.230 nan 0.000 0.470 76 T N -1.108 113.452 114.554 0.009 0.000 2.946 76 T HA 0.208 4.558 4.350 0.000 0.000 0.311 76 T C 0.166 174.842 174.700 -0.041 0.000 1.063 76 T CA -0.573 61.533 62.100 0.009 0.000 1.139 76 T CB 0.507 69.393 68.868 0.030 0.000 0.994 76 T HN 0.790 nan 8.240 nan 0.000 0.547 77 T N -0.225 114.315 114.554 -0.023 0.000 2.910 77 T HA 0.486 4.836 4.350 0.000 0.000 0.287 77 T C 0.941 175.618 174.700 -0.038 0.000 1.050 77 T CA -1.287 60.776 62.100 -0.062 0.000 1.011 77 T CB 1.678 70.521 68.868 -0.042 0.000 1.195 77 T HN 0.550 nan 8.240 nan 0.000 0.540 78 K N -0.024 120.343 120.400 -0.055 0.000 2.209 78 K HA 0.042 4.362 4.320 0.000 0.000 0.204 78 K C 2.080 178.665 176.600 -0.025 0.000 1.048 78 K CA 1.323 57.588 56.287 -0.036 0.000 0.940 78 K CB -0.353 32.120 32.500 -0.045 0.000 0.729 78 K HN 0.764 nan 8.250 nan 0.000 0.451 79 G N 0.048 108.827 108.800 -0.035 0.000 2.709 79 G HA2 0.275 4.235 3.960 0.000 0.000 0.208 79 G HA3 0.275 4.235 3.960 0.000 0.000 0.208 79 G C -0.002 174.895 174.900 -0.005 0.000 1.129 79 G CA 0.263 45.339 45.100 -0.041 0.000 0.793 79 G HN 0.291 nan 8.290 nan 0.000 0.524 80 A N 0.121 122.962 122.820 0.034 0.000 2.498 80 A HA 0.725 5.045 4.320 0.000 0.000 0.298 80 A C -0.077 177.570 177.584 0.104 0.000 1.075 80 A CA -0.067 52.036 52.037 0.111 0.000 0.714 80 A CB 1.399 20.544 19.000 0.241 0.000 1.299 80 A HN 0.724 nan 8.150 nan 0.000 0.407 81 S N 0.463 116.239 115.700 0.127 0.000 2.616 81 S HA 0.424 4.895 4.470 0.000 0.000 0.277 81 S C 1.214 175.882 174.600 0.114 0.000 1.234 81 S CA 0.322 58.596 58.200 0.124 0.000 1.028 81 S CB 1.446 64.743 63.200 0.161 0.000 0.988 81 S HN 1.433 nan 8.310 nan 0.000 0.522 82 S N 0.998 116.761 115.700 0.106 0.000 2.400 82 S HA -0.206 4.264 4.470 0.000 0.000 0.234 82 S C 1.371 176.026 174.600 0.091 0.000 1.049 82 S CA 1.926 60.176 58.200 0.083 0.000 1.039 82 S CB -0.906 62.351 63.200 0.096 0.000 0.856 82 S HN 0.753 nan 8.310 nan 0.000 0.465 83 F N 1.841 121.790 119.950 -0.001 0.000 2.113 83 F HA 0.132 4.659 4.527 0.000 0.000 0.297 83 F C 2.462 178.235 175.800 -0.044 0.000 1.103 83 F CA 1.733 59.724 58.000 -0.016 0.000 1.248 83 F CB -0.471 38.531 39.000 0.003 0.000 0.999 83 F HN 0.103 nan 8.300 nan 0.000 0.475 84 R N 0.377 120.856 120.500 -0.034 0.000 2.115 84 R HA -0.064 4.276 4.340 0.000 0.000 0.226 84 R C 2.304 178.384 176.300 -0.367 0.000 1.100 84 R CA 1.533 57.535 56.100 -0.163 0.000 0.980 84 R CB -0.358 30.008 30.300 0.109 0.000 0.875 84 R HN 0.396 nan 8.270 nan 0.000 0.445 85 I N -0.172 120.225 120.570 -0.290 0.000 2.163 85 I HA -0.308 3.862 4.170 0.000 0.000 0.243 85 I C 2.039 177.818 176.117 -0.563 0.000 1.085 85 I CA 1.680 62.672 61.300 -0.514 0.000 1.347 85 I CB -0.371 37.534 38.000 -0.158 0.000 1.044 85 I HN 0.218 nan 8.210 nan 0.000 0.408 86 T N 0.235 114.571 114.554 -0.363 0.000 2.732 86 T HA -0.073 4.277 4.350 0.000 0.000 0.261 86 T C 2.069 176.544 174.700 -0.375 0.000 1.040 86 T CA 0.870 62.782 62.100 -0.313 0.000 1.145 86 T CB -0.102 68.642 68.868 -0.208 0.000 0.866 86 T HN 0.151 nan 8.240 nan 0.000 0.427 87 R N 0.936 121.140 120.500 -0.493 0.000 2.091 87 R HA 0.007 4.347 4.340 0.000 0.000 0.238 87 R C 2.742 178.821 176.300 -0.368 0.000 1.136 87 R CA 1.485 57.302 56.100 -0.473 0.000 0.959 87 R CB -1.424 28.427 30.300 -0.749 0.000 0.856 87 R HN 0.502 nan 8.270 nan 0.000 0.437 88 G N 1.258 109.792 108.800 -0.443 0.000 2.459 88 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 88 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 88 G C 1.671 176.394 174.900 -0.296 0.000 1.183 88 G CA 0.684 45.574 45.100 -0.351 0.000 0.776 88 G HN 0.231 nan 8.290 nan 0.000 0.552 89 I N 0.560 120.859 120.570 -0.452 0.000 2.142 89 I HA -0.165 4.005 4.170 0.000 0.000 0.240 89 I C 2.800 178.821 176.117 -0.161 0.000 1.078 89 I CA 1.373 62.535 61.300 -0.230 0.000 1.343 89 I CB -0.297 37.567 38.000 -0.226 0.000 1.046 89 I HN 0.276 nan 8.210 nan 0.000 0.405 90 E N 0.778 120.868 120.200 -0.183 0.000 2.204 90 E HA -0.212 4.138 4.350 0.000 0.000 0.195 90 E C 2.229 178.752 176.600 -0.128 0.000 0.990 90 E CA 1.066 57.384 56.400 -0.137 0.000 0.821 90 E CB -0.154 29.463 29.700 -0.138 0.000 0.750 90 E HN 0.525 nan 8.360 nan 0.000 0.477 91 A N 1.225 123.957 122.820 -0.146 0.000 2.019 91 A HA -0.120 4.200 4.320 0.000 0.000 0.219 91 A C 2.150 179.634 177.584 -0.166 0.000 1.164 91 A CA 1.419 53.378 52.037 -0.130 0.000 0.644 91 A CB -0.239 18.692 19.000 -0.115 0.000 0.805 91 A HN 0.212 nan 8.150 nan 0.000 0.449 92 V N -4.332 115.451 119.914 -0.218 0.000 3.043 92 V HA 0.598 4.718 4.120 0.000 0.000 0.357 92 V C 0.971 176.942 176.094 -0.204 0.000 1.372 92 V CA 0.095 62.157 62.300 -0.397 0.000 1.214 92 V CB -0.899 30.509 31.823 -0.692 0.000 1.224 92 V HN 1.289 nan 8.190 nan 0.000 0.507 93 G N 0.178 108.912 108.800 -0.110 0.000 2.321 93 G HA2 -0.160 3.800 3.960 0.000 0.000 0.287 93 G HA3 -0.160 3.800 3.960 0.000 0.000 0.287 93 G C 0.561 175.450 174.900 -0.019 0.000 1.018 93 G CA 0.488 45.561 45.100 -0.045 0.000 0.855 93 G HN 1.368 nan 8.290 nan 0.000 0.507 94 G N -0.973 107.807 108.800 -0.033 0.000 2.537 94 G HA2 0.872 4.832 3.960 0.000 0.000 0.297 94 G HA3 0.872 4.832 3.960 0.000 0.000 0.297 94 G C 0.197 175.091 174.900 -0.009 0.000 1.310 94 G CA 0.512 45.612 45.100 0.001 0.000 1.027 94 G HN 1.665 nan 8.290 nan 0.000 0.505 95 S N -1.813 113.892 115.700 0.008 0.000 2.618 95 S HA 0.713 5.184 4.470 0.000 0.000 0.277 95 S C -1.529 173.076 174.600 0.008 0.000 1.138 95 S CA -0.775 57.425 58.200 -0.001 0.000 0.844 95 S CB 2.037 65.245 63.200 0.014 0.000 1.127 95 S HN 1.267 nan 8.310 nan 0.000 0.474 96 L N 1.494 122.708 121.223 -0.014 0.000 2.516 96 L HA 0.841 5.181 4.340 0.000 0.000 0.267 96 L C -1.005 175.829 176.870 -0.060 0.000 0.957 96 L CA 0.141 54.977 54.840 -0.007 0.000 0.860 96 L CB 1.634 43.693 42.059 -0.001 0.000 1.265 96 L HN 1.177 nan 8.230 nan 0.000 0.403 97 S N 2.999 118.641 115.700 -0.096 0.000 2.607 97 S HA 0.920 5.391 4.470 0.000 0.000 0.273 97 S C -1.333 173.034 174.600 -0.388 0.000 1.148 97 S CA -0.810 57.224 58.200 -0.276 0.000 0.833 97 S CB 1.940 64.896 63.200 -0.407 0.000 1.130 97 S HN 0.494 nan 8.310 nan 0.000 0.470 98 V N 2.204 121.778 119.914 -0.567 0.000 2.443 98 V HA 0.492 4.612 4.120 0.000 0.000 0.293 98 V C -1.703 174.046 176.094 -0.576 0.000 1.021 98 V CA -0.506 61.429 62.300 -0.609 0.000 0.848 98 V CB 0.624 32.010 31.823 -0.728 0.000 0.998 98 V HN 0.892 nan 8.190 nan 0.000 0.424 99 Y N 2.329 122.479 120.300 -0.249 0.000 2.446 99 Y HA 0.800 5.350 4.550 0.000 0.000 0.338 99 Y C 0.588 176.385 175.900 -0.171 0.000 1.055 99 Y CA -0.587 57.412 58.100 -0.170 0.000 1.101 99 Y CB 2.309 40.691 38.460 -0.129 0.000 1.221 99 Y HN 0.711 nan 8.280 nan 0.000 0.460 100 S N -0.469 115.245 115.700 0.024 0.000 2.565 100 S HA 0.742 5.212 4.470 0.000 0.000 0.269 100 S C -0.720 173.873 174.600 -0.011 0.000 1.153 100 S CA -0.673 57.522 58.200 -0.008 0.000 0.835 100 S CB 1.572 64.742 63.200 -0.051 0.000 1.122 100 S HN 0.818 nan 8.310 nan 0.000 0.462 101 T N -0.873 113.697 114.554 0.026 0.000 2.804 101 T HA 0.552 4.902 4.350 0.000 0.000 0.272 101 T C 0.808 175.522 174.700 0.023 0.000 0.986 101 T CA -1.118 61.007 62.100 0.040 0.000 0.999 101 T CB 0.932 69.878 68.868 0.130 0.000 1.307 101 T HN 0.638 nan 8.240 nan 0.000 0.586 102 R N 0.786 121.294 120.500 0.012 0.000 2.285 102 R HA 0.045 4.385 4.340 0.000 0.000 0.213 102 R C 1.352 177.679 176.300 0.046 0.000 1.068 102 R CA 1.344 57.414 56.100 -0.049 0.000 1.004 102 R CB -0.202 29.975 30.300 -0.205 0.000 0.873 102 R HN 0.895 nan 8.270 nan 0.000 0.467 103 E N 0.640 120.913 120.200 0.122 0.000 2.801 103 E HA 0.063 4.413 4.350 0.000 0.000 0.212 103 E C -0.770 175.972 176.600 0.236 0.000 0.963 103 E CA -0.432 56.107 56.400 0.231 0.000 1.247 103 E CB 0.426 30.232 29.700 0.177 0.000 1.076 103 E HN 0.029 nan 8.360 nan 0.000 0.504 104 K N 0.619 121.124 120.400 0.176 0.000 2.525 104 K HA 0.532 4.852 4.320 0.000 0.000 0.254 104 K C -1.345 175.313 176.600 0.097 0.000 0.934 104 K CA -0.560 55.815 56.287 0.147 0.000 0.802 104 K CB 1.908 34.508 32.500 0.167 0.000 1.295 104 K HN 0.025 nan 8.250 nan 0.000 0.433 105 M N 2.330 121.970 119.600 0.066 0.000 2.259 105 M HA 0.399 4.879 4.480 0.000 0.000 0.304 105 M C -1.123 175.152 176.300 -0.041 0.000 1.019 105 M CA -0.548 54.767 55.300 0.025 0.000 0.922 105 M CB 2.817 35.489 32.600 0.119 0.000 1.600 105 M HN 0.789 nan 8.290 nan 0.000 0.433 106 T N 2.472 116.945 114.554 -0.135 0.000 2.792 106 T HA 0.538 4.888 4.350 0.000 0.000 0.280 106 T C -1.347 173.255 174.700 -0.163 0.000 0.990 106 T CA -0.444 61.490 62.100 -0.277 0.000 0.960 106 T CB 0.632 69.164 68.868 -0.559 0.000 0.939 106 T HN 0.300 nan 8.240 nan 0.000 0.439 107 Y N 2.413 122.595 120.300 -0.197 0.000 2.356 107 Y HA 0.520 5.071 4.550 0.000 0.000 0.334 107 Y C 0.631 176.488 175.900 -0.071 0.000 0.958 107 Y CA -1.108 56.936 58.100 -0.093 0.000 1.196 107 Y CB 0.768 39.194 38.460 -0.057 0.000 1.137 107 Y HN 0.868 nan 8.280 nan 0.000 0.485 108 C N 1.865 121.221 119.300 0.092 0.000 2.889 108 C HA 0.984 5.444 4.460 0.000 0.000 0.307 108 C C -0.289 174.760 174.990 0.100 0.000 1.251 108 C CA -1.303 57.774 59.018 0.098 0.000 1.593 108 C CB 0.733 28.528 27.740 0.091 0.000 2.104 108 C HN 0.732 nan 8.230 nan 0.000 0.476 109 V N -1.310 118.662 119.914 0.097 0.000 2.876 109 V HA 0.805 4.925 4.120 0.000 0.000 0.312 109 V C -0.855 175.289 176.094 0.083 0.000 1.085 109 V CA -0.308 62.044 62.300 0.085 0.000 0.945 109 V CB 1.847 33.725 31.823 0.092 0.000 1.017 109 V HN 1.041 nan 8.190 nan 0.000 0.428 110 E N 1.600 121.844 120.200 0.073 0.000 2.336 110 E HA 0.840 5.190 4.350 0.000 0.000 0.267 110 E C -1.138 175.503 176.600 0.070 0.000 0.906 110 E CA -0.344 56.098 56.400 0.070 0.000 0.781 110 E CB 2.363 32.102 29.700 0.065 0.000 1.261 110 E HN 1.319 nan 8.360 nan 0.000 0.436 111 C N -1.105 118.241 119.300 0.076 0.000 3.034 111 C HA 0.341 4.801 4.460 0.000 0.000 0.336 111 C C -1.143 173.908 174.990 0.102 0.000 1.304 111 C CA -1.192 57.887 59.018 0.100 0.000 1.197 111 C CB -0.579 27.240 27.740 0.132 0.000 1.373 111 C HN 0.739 nan 8.230 nan 0.000 0.459 112 L N 1.947 123.254 121.223 0.141 0.000 2.461 112 L HA 0.340 4.680 4.340 0.000 0.000 0.272 112 L C 1.972 178.852 176.870 0.016 0.000 1.197 112 L CA -0.246 54.641 54.840 0.079 0.000 0.836 112 L CB 0.233 42.348 42.059 0.092 0.000 1.105 112 L HN 0.842 nan 8.230 nan 0.000 0.477 113 R N 0.823 121.313 120.500 -0.016 0.000 2.140 113 R HA -0.196 4.144 4.340 0.000 0.000 0.250 113 R C 1.021 177.270 176.300 -0.085 0.000 1.150 113 R CA 1.821 57.900 56.100 -0.035 0.000 0.966 113 R CB -0.337 29.947 30.300 -0.028 0.000 0.869 113 R HN 0.685 nan 8.270 nan 0.000 0.445 114 D N -0.444 119.834 120.400 -0.204 0.000 2.378 114 D HA -0.078 4.562 4.640 0.000 0.000 0.227 114 D C 0.980 177.053 176.300 -0.379 0.000 1.012 114 D CA 0.971 54.781 54.000 -0.317 0.000 0.905 114 D CB 0.048 40.591 40.800 -0.428 0.000 0.895 114 D HN 0.454 nan 8.370 nan 0.000 0.532 115 H N -0.847 118.239 119.070 0.027 0.000 2.893 115 H HA 0.162 4.718 4.556 0.000 0.000 0.270 115 H C 2.147 177.496 175.328 0.035 0.000 1.095 115 H CA -0.135 55.932 56.048 0.033 0.000 1.186 115 H CB 0.480 30.264 29.762 0.037 0.000 1.562 115 H HN -0.059 nan 8.280 nan 0.000 0.536 116 V N 2.404 122.380 119.914 0.103 0.000 2.250 116 V HA -0.348 3.772 4.120 0.000 0.000 0.250 116 V C 2.431 178.568 176.094 0.071 0.000 1.060 116 V CA 2.502 64.848 62.300 0.077 0.000 1.030 116 V CB -0.391 31.455 31.823 0.039 0.000 0.643 116 V HN 0.567 nan 8.190 nan 0.000 0.445 117 D N -0.562 119.874 120.400 0.059 0.000 2.190 117 D HA -0.213 4.427 4.640 0.000 0.000 0.200 117 D C 1.872 178.190 176.300 0.029 0.000 0.992 117 D CA 2.089 56.119 54.000 0.049 0.000 0.854 117 D CB -0.650 40.179 40.800 0.049 0.000 0.936 117 D HN 0.504 nan 8.370 nan 0.000 0.462 118 T N 0.845 115.437 114.554 0.064 0.000 2.732 118 T HA -0.035 4.315 4.350 0.000 0.000 0.261 118 T C 2.326 177.056 174.700 0.051 0.000 1.040 118 T CA 1.041 63.170 62.100 0.049 0.000 1.145 118 T CB -0.371 68.570 68.868 0.121 0.000 0.866 118 T HN 0.045 nan 8.240 nan 0.000 0.427 119 V N 1.487 121.478 119.914 0.129 0.000 2.759 119 V HA -0.112 4.008 4.120 0.000 0.000 0.256 119 V C 2.405 178.564 176.094 0.109 0.000 1.080 119 V CA 1.226 63.639 62.300 0.188 0.000 1.101 119 V CB -0.710 31.200 31.823 0.145 0.000 0.698 119 V HN 0.336 nan 8.190 nan 0.000 0.477 120 M N 0.634 120.251 119.600 0.027 0.000 2.175 120 M HA -0.148 4.332 4.480 0.000 0.000 0.264 120 M C 2.097 178.330 176.300 -0.110 0.000 1.063 120 M CA 1.920 57.215 55.300 -0.008 0.000 1.119 120 M CB -0.626 31.980 32.600 0.011 0.000 1.377 120 M HN 0.486 nan 8.290 nan 0.000 0.415 121 E N -1.062 118.983 120.200 -0.258 0.000 2.097 121 E HA -0.263 4.087 4.350 0.000 0.000 0.196 121 E C 1.796 178.153 176.600 -0.405 0.000 1.000 121 E CA 1.958 58.092 56.400 -0.443 0.000 0.804 121 E CB -0.411 28.905 29.700 -0.641 0.000 0.740 121 E HN 0.711 nan 8.360 nan 0.000 0.454 122 Y N -0.025 120.239 120.300 -0.060 0.000 2.220 122 Y HA -0.136 4.415 4.550 0.000 0.000 0.291 122 Y C 2.324 178.205 175.900 -0.031 0.000 1.129 122 Y CA 0.599 58.672 58.100 -0.045 0.000 1.161 122 Y CB -0.257 38.184 38.460 -0.031 0.000 0.997 122 Y HN 0.174 nan 8.280 nan 0.000 0.522 123 L N 0.474 121.759 121.223 0.103 0.000 2.046 123 L HA -0.186 4.154 4.340 0.000 0.000 0.208 123 L C 2.181 179.049 176.870 -0.004 0.000 1.077 123 L CA 1.436 56.318 54.840 0.069 0.000 0.747 123 L CB -0.986 41.115 42.059 0.069 0.000 0.896 123 L HN 0.369 nan 8.230 nan 0.000 0.432 124 L N -0.601 120.592 121.223 -0.051 0.000 1.989 124 L HA -0.255 4.086 4.340 0.000 0.000 0.211 124 L C 2.432 179.247 176.870 -0.092 0.000 1.071 124 L CA 1.842 56.629 54.840 -0.088 0.000 0.749 124 L CB -0.604 41.353 42.059 -0.170 0.000 0.890 124 L HN 0.419 nan 8.230 nan 0.000 0.431 125 N N -0.236 118.405 118.700 -0.099 0.000 2.043 125 N HA -0.195 4.546 4.740 0.000 0.000 0.193 125 N C 1.821 177.301 175.510 -0.050 0.000 1.037 125 N CA 1.984 54.988 53.050 -0.076 0.000 0.851 125 N CB -0.343 38.113 38.487 -0.051 0.000 1.027 125 N HN 0.256 nan 8.380 nan 0.000 0.422 126 V N 1.176 121.086 119.914 -0.008 0.000 2.287 126 V HA -0.238 3.882 4.120 0.000 0.000 0.248 126 V C 2.547 178.600 176.094 -0.068 0.000 1.053 126 V CA 2.339 64.641 62.300 0.004 0.000 1.027 126 V CB -1.151 30.729 31.823 0.095 0.000 0.646 126 V HN 0.573 nan 8.190 nan 0.000 0.447 127 T N -2.660 111.799 114.554 -0.157 0.000 3.043 127 T HA -0.088 4.262 4.350 0.000 0.000 0.263 127 T C 1.558 176.252 174.700 -0.010 0.000 1.094 127 T CA 1.454 63.422 62.100 -0.219 0.000 1.127 127 T CB -0.159 68.472 68.868 -0.394 0.000 0.905 127 T HN 0.614 nan 8.240 nan 0.000 0.490 128 T N -2.121 112.410 114.554 -0.039 0.000 2.975 128 T HA 0.629 4.979 4.350 0.000 0.000 0.257 128 T C 1.065 175.738 174.700 -0.045 0.000 1.003 128 T CA 0.154 62.247 62.100 -0.011 0.000 0.932 128 T CB 0.225 69.087 68.868 -0.011 0.000 1.087 128 T HN 0.420 nan 8.240 nan 0.000 0.512 129 A N 2.464 125.234 122.820 -0.083 0.000 2.663 129 A HA 0.559 4.879 4.320 0.000 0.000 0.273 129 A C -2.741 174.740 177.584 -0.171 0.000 0.932 129 A CA -1.122 50.853 52.037 -0.103 0.000 1.055 129 A CB 0.400 19.351 19.000 -0.082 0.000 1.206 129 A HN 0.422 nan 8.150 nan 0.000 0.485 130 P HA 0.119 nan 4.420 nan 0.000 0.270 130 P C 0.023 177.002 177.300 -0.536 0.000 1.223 130 P CA 0.364 63.133 63.100 -0.551 0.000 0.785 130 P CB 1.331 32.391 31.700 -1.067 0.000 0.923 131 E N 0.305 120.224 120.200 -0.468 0.000 2.434 131 E HA 0.146 4.496 4.350 0.000 0.000 0.207 131 E C 0.022 176.507 176.600 -0.192 0.000 0.929 131 E CA -0.247 56.028 56.400 -0.209 0.000 1.001 131 E CB -0.139 29.490 29.700 -0.119 0.000 1.016 131 E HN 0.412 nan 8.360 nan 0.000 0.502 132 F N 2.019 121.836 119.950 -0.221 0.000 2.970 132 F HA -0.289 4.238 4.527 0.000 0.000 0.251 132 F C 0.008 175.626 175.800 -0.302 0.000 0.993 132 F CA -0.225 57.586 58.000 -0.314 0.000 0.869 132 F CB -1.384 37.299 39.000 -0.529 0.000 0.762 132 F HN -0.026 nan 8.300 nan 0.000 0.817 133 R N 0.625 120.963 120.500 -0.270 0.000 2.537 133 R HA -0.062 4.278 4.340 0.000 0.000 0.281 133 R C -1.411 174.493 176.300 -0.659 0.000 0.988 133 R CA -0.889 54.800 56.100 -0.685 0.000 1.077 133 R CB -0.038 29.515 30.300 -1.245 0.000 0.932 133 R HN 0.011 nan 8.270 nan 0.000 0.409 134 P HA -0.236 nan 4.420 nan 0.000 0.215 134 P C 0.832 178.070 177.300 -0.103 0.000 1.163 134 P CA 1.584 64.582 63.100 -0.170 0.000 0.894 134 P CB -0.091 31.625 31.700 0.027 0.000 0.791 135 W N 0.532 121.842 121.300 0.017 0.000 2.354 135 W HA -0.070 4.590 4.660 0.000 0.000 0.315 135 W C 1.888 178.410 176.519 0.005 0.000 1.206 135 W CA 1.025 58.374 57.345 0.007 0.000 1.290 135 W CB -1.704 27.760 29.460 0.007 0.000 1.152 135 W HN -0.043 nan 8.180 nan 0.000 0.489 136 E N 0.894 120.899 120.200 -0.325 0.000 2.070 136 E HA -0.239 4.111 4.350 0.000 0.000 0.197 136 E C 2.228 178.770 176.600 -0.097 0.000 1.004 136 E CA 2.272 58.588 56.400 -0.139 0.000 0.805 136 E CB -0.498 29.064 29.700 -0.230 0.000 0.744 136 E HN 0.210 nan 8.360 nan 0.000 0.451 137 V N 1.100 120.921 119.914 -0.154 0.000 2.407 137 V HA -0.256 3.864 4.120 0.000 0.000 0.248 137 V C 2.298 178.336 176.094 -0.093 0.000 1.055 137 V CA 2.138 64.358 62.300 -0.133 0.000 1.049 137 V CB -0.694 31.029 31.823 -0.166 0.000 0.662 137 V HN 0.345 nan 8.190 nan 0.000 0.455 138 T N -0.502 114.024 114.554 -0.046 0.000 2.777 138 T HA -0.162 4.188 4.350 0.000 0.000 0.266 138 T C 1.592 176.286 174.700 -0.011 0.000 1.040 138 T CA 1.548 63.637 62.100 -0.017 0.000 1.141 138 T CB -0.327 68.562 68.868 0.035 0.000 0.868 138 T HN 0.496 nan 8.240 nan 0.000 0.444 139 D N 0.765 121.173 120.400 0.014 0.000 2.269 139 D HA 0.020 4.660 4.640 0.000 0.000 0.208 139 D C 1.950 178.239 176.300 -0.017 0.000 0.963 139 D CA 0.355 54.363 54.000 0.014 0.000 0.864 139 D CB -0.168 40.662 40.800 0.049 0.000 0.936 139 D HN 0.214 nan 8.370 nan 0.000 0.505 140 L N 1.039 122.239 121.223 -0.039 0.000 2.095 140 L HA -0.087 4.253 4.340 0.000 0.000 0.204 140 L C 2.160 178.975 176.870 -0.091 0.000 1.080 140 L CA 1.452 56.254 54.840 -0.063 0.000 0.759 140 L CB -0.452 41.560 42.059 -0.079 0.000 0.914 140 L HN -0.109 nan 8.230 nan 0.000 0.439 141 Q N 0.329 120.065 119.800 -0.107 0.000 2.133 141 Q HA -0.194 4.146 4.340 0.000 0.000 0.208 141 Q C -0.577 175.352 176.000 -0.118 0.000 0.991 141 Q CA 2.192 57.915 55.803 -0.133 0.000 0.867 141 Q CB -1.438 27.224 28.738 -0.127 0.000 0.911 141 Q HN 0.516 nan 8.270 nan 0.000 0.417 142 P HA -0.175 nan 4.420 nan 0.000 0.228 142 P C 0.973 178.227 177.300 -0.076 0.000 1.151 142 P CA 1.187 64.243 63.100 -0.073 0.000 0.770 142 P CB 0.117 31.787 31.700 -0.049 0.000 0.786 143 Q N 0.334 120.085 119.800 -0.082 0.000 2.224 143 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 143 Q C 2.182 178.130 176.000 -0.088 0.000 0.970 143 Q CA 1.018 56.778 55.803 -0.071 0.000 0.865 143 Q CB -1.133 27.565 28.738 -0.066 0.000 0.922 143 Q HN 0.205 nan 8.270 nan 0.000 0.445 144 L N 0.009 121.139 121.223 -0.155 0.000 2.131 144 L HA -0.187 4.153 4.340 0.000 0.000 0.210 144 L C 2.422 179.236 176.870 -0.092 0.000 1.092 144 L CA 1.489 56.199 54.840 -0.216 0.000 0.759 144 L CB -0.392 41.461 42.059 -0.343 0.000 0.903 144 L HN 0.207 nan 8.230 nan 0.000 0.435 145 K N -0.206 120.136 120.400 -0.096 0.000 2.097 145 K HA -0.129 4.191 4.320 0.000 0.000 0.205 145 K C 1.974 178.530 176.600 -0.073 0.000 1.050 145 K CA 1.072 57.306 56.287 -0.088 0.000 0.938 145 K CB 0.124 32.575 32.500 -0.081 0.000 0.718 145 K HN 0.059 nan 8.250 nan 0.000 0.442 146 V N 1.093 120.977 119.914 -0.051 0.000 2.255 146 V HA -0.226 3.894 4.120 0.000 0.000 0.243 146 V C 1.878 177.959 176.094 -0.022 0.000 1.038 146 V CA 2.211 64.489 62.300 -0.036 0.000 1.008 146 V CB -0.569 31.238 31.823 -0.027 0.000 0.645 146 V HN 0.434 nan 8.190 nan 0.000 0.449 147 D N 0.133 120.540 120.400 0.011 0.000 2.133 147 D HA -0.293 4.347 4.640 0.000 0.000 0.192 147 D C 2.186 178.495 176.300 0.015 0.000 1.001 147 D CA 2.062 56.099 54.000 0.062 0.000 0.844 147 D CB -0.162 40.747 40.800 0.181 0.000 0.944 147 D HN 0.392 nan 8.370 nan 0.000 0.447 148 K N -0.558 119.840 120.400 -0.002 0.000 2.148 148 K HA -0.051 4.269 4.320 0.000 0.000 0.204 148 K C 1.931 178.409 176.600 -0.204 0.000 1.050 148 K CA 1.083 57.257 56.287 -0.189 0.000 0.942 148 K CB -0.131 32.275 32.500 -0.156 0.000 0.724 148 K HN 0.162 nan 8.250 nan 0.000 0.446 149 A N 0.877 123.619 122.820 -0.131 0.000 1.898 149 A HA -0.106 4.214 4.320 0.000 0.000 0.216 149 A C 2.223 179.790 177.584 -0.028 0.000 1.181 149 A CA 1.659 53.642 52.037 -0.091 0.000 0.620 149 A CB -0.775 18.183 19.000 -0.071 0.000 0.819 149 A HN 0.298 nan 8.150 nan 0.000 0.442 150 V N -2.447 117.450 119.914 -0.028 0.000 2.453 150 V HA 0.035 4.155 4.120 0.000 0.000 0.247 150 V C 2.481 178.566 176.094 -0.014 0.000 1.048 150 V CA 1.743 64.036 62.300 -0.011 0.000 1.049 150 V CB -1.291 30.528 31.823 -0.007 0.000 0.672 150 V HN 0.498 nan 8.190 nan 0.000 0.457 151 A N 0.099 122.887 122.820 -0.054 0.000 1.908 151 A HA -0.098 4.222 4.320 0.000 0.000 0.218 151 A C 1.841 179.378 177.584 -0.078 0.000 1.181 151 A CA 2.058 54.028 52.037 -0.111 0.000 0.627 151 A CB -1.043 17.711 19.000 -0.410 0.000 0.818 151 A HN 0.599 nan 8.150 nan 0.000 0.445 152 F N 0.762 120.558 119.950 -0.257 0.000 2.805 152 F HA 0.017 4.544 4.527 0.000 0.000 0.301 152 F C 2.211 177.936 175.800 -0.126 0.000 1.196 152 F CA 0.543 58.431 58.000 -0.186 0.000 1.439 152 F CB -0.316 38.576 39.000 -0.180 0.000 1.117 152 F HN 0.384 nan 8.300 nan 0.000 0.581 153 Q N -0.853 118.963 119.800 0.027 0.000 2.378 153 Q HA 0.004 4.344 4.340 0.000 0.000 0.205 153 Q C 0.435 176.418 176.000 -0.028 0.000 0.954 153 Q CA 0.568 56.378 55.803 0.012 0.000 0.901 153 Q CB -0.015 28.731 28.738 0.014 0.000 0.981 153 Q HN 0.167 nan 8.270 nan 0.000 0.483 154 S N 2.146 117.801 115.700 -0.075 0.000 2.410 154 S HA 0.161 4.631 4.470 0.000 0.000 0.304 154 S C -2.013 172.469 174.600 -0.196 0.000 1.095 154 S CA -1.162 56.981 58.200 -0.096 0.000 1.089 154 S CB 1.260 64.414 63.200 -0.078 0.000 0.968 154 S HN 0.021 nan 8.310 nan 0.000 0.480 155 P HA -0.232 nan 4.420 nan 0.000 0.216 155 P C 1.745 178.836 177.300 -0.348 0.000 1.150 155 P CA 0.850 63.671 63.100 -0.464 0.000 0.843 155 P CB 0.115 31.286 31.700 -0.883 0.000 0.787 156 Q N -0.084 119.612 119.800 -0.174 0.000 2.142 156 Q HA -0.250 4.091 4.340 0.000 0.000 0.213 156 Q C 1.956 177.933 176.000 -0.039 0.000 1.004 156 Q CA 2.175 58.001 55.803 0.038 0.000 0.883 156 Q CB -0.856 27.879 28.738 -0.005 0.000 0.939 156 Q HN 0.141 nan 8.270 nan 0.000 0.413 157 V N 0.128 119.927 119.914 -0.192 0.000 2.453 157 V HA -0.080 4.040 4.120 0.000 0.000 0.247 157 V C 2.110 177.924 176.094 -0.466 0.000 1.048 157 V CA 2.092 64.210 62.300 -0.305 0.000 1.049 157 V CB -0.586 30.972 31.823 -0.440 0.000 0.672 157 V HN 0.583 nan 8.190 nan 0.000 0.457 158 G N 0.037 108.505 108.800 -0.554 0.000 2.421 158 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 158 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 158 G C 1.733 176.535 174.900 -0.164 0.000 1.171 158 G CA 1.598 46.443 45.100 -0.425 0.000 0.775 158 G HN 0.732 nan 8.290 nan 0.000 0.543 159 V N -0.639 119.202 119.914 -0.122 0.000 2.427 159 V HA 0.007 4.127 4.120 0.000 0.000 0.248 159 V C 2.661 178.734 176.094 -0.034 0.000 1.051 159 V CA 1.336 63.587 62.300 -0.080 0.000 1.048 159 V CB -0.573 31.184 31.823 -0.110 0.000 0.666 159 V HN 0.309 nan 8.190 nan 0.000 0.456 160 L N -0.336 120.897 121.223 0.016 0.000 2.131 160 L HA -0.076 4.264 4.340 0.000 0.000 0.210 160 L C 3.077 180.032 176.870 0.142 0.000 1.092 160 L CA 1.726 56.628 54.840 0.103 0.000 0.759 160 L CB -0.727 41.412 42.059 0.134 0.000 0.903 160 L HN 0.385 nan 8.230 nan 0.000 0.435 161 E N 0.358 120.584 120.200 0.044 0.000 2.031 161 E HA -0.172 4.178 4.350 0.000 0.000 0.193 161 E C 1.882 178.556 176.600 0.123 0.000 0.994 161 E CA 1.009 57.455 56.400 0.076 0.000 0.800 161 E CB -0.311 29.459 29.700 0.117 0.000 0.752 161 E HN 0.524 nan 8.360 nan 0.000 0.447 162 N N 0.981 119.730 118.700 0.082 0.000 2.309 162 N HA -0.133 4.607 4.740 0.000 0.000 0.182 162 N C 1.989 177.532 175.510 0.054 0.000 1.018 162 N CA 0.387 53.479 53.050 0.069 0.000 0.876 162 N CB -0.171 38.329 38.487 0.021 0.000 0.972 162 N HN 0.075 nan 8.380 nan 0.000 0.434 163 L N 1.170 122.425 121.223 0.053 0.000 1.976 163 L HA -0.130 4.210 4.340 0.000 0.000 0.209 163 L C 1.849 178.771 176.870 0.087 0.000 1.071 163 L CA 1.892 56.733 54.840 0.003 0.000 0.746 163 L CB -0.861 41.171 42.059 -0.045 0.000 0.890 163 L HN 0.102 nan 8.230 nan 0.000 0.432 164 H N -0.661 118.467 119.070 0.095 0.000 2.457 164 H HA -0.055 4.501 4.556 0.000 0.000 0.297 164 H C 2.047 177.482 175.328 0.178 0.000 1.092 164 H CA 1.310 57.453 56.048 0.158 0.000 1.309 164 H CB -0.358 29.441 29.762 0.062 0.000 1.382 164 H HN 0.515 nan 8.280 nan 0.000 0.535 165 A N -0.057 122.911 122.820 0.246 0.000 2.021 165 A HA 0.210 4.530 4.320 0.000 0.000 0.216 165 A C 2.348 180.111 177.584 0.299 0.000 1.163 165 A CA 1.015 53.200 52.037 0.246 0.000 0.676 165 A CB -0.362 18.759 19.000 0.201 0.000 0.818 165 A HN 0.436 nan 8.150 nan 0.000 0.453 166 A N -0.582 122.300 122.820 0.103 0.000 1.997 166 A HA 0.480 4.800 4.320 0.000 0.000 0.212 166 A C 2.275 179.682 177.584 -0.295 0.000 1.178 166 A CA 1.186 53.114 52.037 -0.182 0.000 0.698 166 A CB -0.576 18.249 19.000 -0.292 0.000 0.842 166 A HN 0.834 nan 8.150 nan 0.000 0.458 167 A N -1.608 121.100 122.820 -0.187 0.000 2.067 167 A HA 0.351 4.671 4.320 0.000 0.000 0.217 167 A C 0.596 177.729 177.584 -0.752 0.000 1.156 167 A CA 0.683 52.391 52.037 -0.547 0.000 0.683 167 A CB -0.235 18.577 19.000 -0.314 0.000 0.808 167 A HN 0.465 nan 8.150 nan 0.000 0.455 168 Y N -2.233 117.995 120.300 -0.120 0.000 2.633 168 Y HA 0.501 5.051 4.550 0.000 0.000 0.339 168 Y C 0.925 176.914 175.900 0.148 0.000 1.045 168 Y CA -1.027 57.064 58.100 -0.016 0.000 1.098 168 Y CB 1.557 40.008 38.460 -0.015 0.000 1.296 168 Y HN -0.137 nan 8.280 nan 0.000 0.494 169 K N -0.328 120.214 120.400 0.237 0.000 2.367 169 K HA 0.240 4.560 4.320 0.000 0.000 0.195 169 K C -0.312 176.321 176.600 0.054 0.000 1.060 169 K CA 0.693 57.016 56.287 0.059 0.000 1.022 169 K CB 0.791 33.278 32.500 -0.021 0.000 0.894 169 K HN 0.851 nan 8.250 nan 0.000 0.540 170 T N -4.046 110.575 114.554 0.112 0.000 2.626 170 T HA 0.583 4.933 4.350 0.000 0.000 0.299 170 T C 0.753 175.457 174.700 0.008 0.000 1.181 170 T CA -0.395 61.735 62.100 0.050 0.000 1.053 170 T CB 1.099 69.984 68.868 0.029 0.000 1.566 170 T HN -0.053 nan 8.240 nan 0.000 0.486 171 A N 0.559 123.353 122.820 -0.043 0.000 3.081 171 A HA -0.282 4.038 4.320 0.000 0.000 0.370 171 A C 1.906 179.376 177.584 -0.191 0.000 2.103 171 A CA 2.829 54.791 52.037 -0.124 0.000 0.973 171 A CB -2.292 16.613 19.000 -0.158 0.000 1.467 171 A HN 1.068 nan 8.150 nan 0.000 0.647 172 L N -0.701 120.317 121.223 -0.342 0.000 2.275 172 L HA -0.015 4.326 4.340 0.000 0.000 0.215 172 L C 2.965 179.653 176.870 -0.303 0.000 1.119 172 L CA 1.077 55.598 54.840 -0.533 0.000 0.790 172 L CB -0.576 40.785 42.059 -1.162 0.000 0.919 172 L HN 0.730 nan 8.230 nan 0.000 0.443 173 A N -0.483 122.256 122.820 -0.135 0.000 2.070 173 A HA -0.104 4.217 4.320 0.000 0.000 0.220 173 A C 0.896 178.510 177.584 0.050 0.000 1.159 173 A CA 0.658 52.735 52.037 0.067 0.000 0.656 173 A CB -0.576 18.515 19.000 0.151 0.000 0.800 173 A HN 0.363 nan 8.150 nan 0.000 0.453 174 N N 1.416 120.109 118.700 -0.011 0.000 2.468 174 N HA 0.189 4.929 4.740 0.000 0.000 0.265 174 N C -2.575 172.922 175.510 -0.021 0.000 1.199 174 N CA -1.401 51.648 53.050 -0.001 0.000 0.928 174 N CB 0.344 38.825 38.487 -0.010 0.000 1.059 174 N HN 0.319 nan 8.380 nan 0.000 0.467 175 P HA -0.077 nan 4.420 nan 0.000 0.268 175 P C 0.702 177.966 177.300 -0.060 0.000 1.208 175 P CA -0.338 62.771 63.100 0.014 0.000 0.777 175 P CB 0.913 32.665 31.700 0.087 0.000 0.875 176 L N 1.792 122.940 121.223 -0.125 0.000 2.446 176 L HA 0.195 4.536 4.340 0.000 0.000 0.219 176 L C 0.139 176.672 176.870 -0.561 0.000 1.116 176 L CA 0.614 55.251 54.840 -0.339 0.000 0.844 176 L CB -0.709 41.085 42.059 -0.442 0.000 0.970 176 L HN 0.246 nan 8.230 nan 0.000 0.457 177 Y N -1.446 118.809 120.300 -0.075 0.000 2.341 177 Y HA 0.299 4.849 4.550 0.000 0.000 0.338 177 Y C 0.461 176.423 175.900 0.103 0.000 0.965 177 Y CA -0.946 57.096 58.100 -0.098 0.000 1.108 177 Y CB 1.022 39.494 38.460 0.020 0.000 1.180 177 Y HN -0.195 nan 8.280 nan 0.000 0.458 178 C N 7.761 127.369 119.300 0.513 0.000 2.334 178 C HA 0.013 4.473 4.460 0.000 0.000 0.395 178 C C -1.755 173.248 174.990 0.022 0.000 1.507 178 C CA -1.182 57.931 59.018 0.158 0.000 1.494 178 C CB -0.696 27.043 27.740 -0.002 0.000 2.509 178 C HN 0.506 nan 8.230 nan 0.000 0.599 179 P HA 0.136 nan 4.420 nan 0.000 0.269 179 P C 0.401 177.580 177.300 -0.202 0.000 1.215 179 P CA 0.214 63.238 63.100 -0.127 0.000 0.780 179 P CB 0.604 32.207 31.700 -0.161 0.000 0.898 180 D N 1.265 121.596 120.400 -0.115 0.000 2.108 180 D HA -0.231 4.409 4.640 0.000 0.000 0.190 180 D C 1.835 178.084 176.300 -0.085 0.000 0.995 180 D CA 1.910 55.855 54.000 -0.092 0.000 0.834 180 D CB -1.476 39.300 40.800 -0.040 0.000 0.967 180 D HN 0.605 nan 8.370 nan 0.000 0.446 181 Y N 0.626 120.904 120.300 -0.037 0.000 2.348 181 Y HA -0.145 4.405 4.550 0.000 0.000 0.285 181 Y C 1.754 177.633 175.900 -0.035 0.000 1.173 181 Y CA 1.263 59.344 58.100 -0.032 0.000 1.263 181 Y CB -0.490 37.957 38.460 -0.022 0.000 0.974 181 Y HN -0.115 nan 8.280 nan 0.000 0.547 182 R N 0.479 120.613 120.500 -0.610 0.000 2.317 182 R HA 0.179 4.519 4.340 0.000 0.000 0.208 182 R C 0.019 176.176 176.300 -0.239 0.000 0.914 182 R CA -0.201 55.625 56.100 -0.456 0.000 1.060 182 R CB 0.189 30.103 30.300 -0.644 0.000 1.015 182 R HN 0.241 nan 8.270 nan 0.000 0.498 183 I N 1.168 121.623 120.570 -0.192 0.000 2.668 183 I HA -0.044 4.126 4.170 0.000 0.000 0.285 183 I C 1.476 177.525 176.117 -0.113 0.000 1.168 183 I CA 1.222 62.429 61.300 -0.154 0.000 1.424 183 I CB 0.154 38.078 38.000 -0.127 0.000 1.377 183 I HN 0.499 nan 8.210 nan 0.000 0.560 184 G N 5.989 114.719 108.800 -0.118 0.000 2.199 184 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 184 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 184 G C 1.027 175.882 174.900 -0.076 0.000 0.982 184 G CA 0.239 45.287 45.100 -0.087 0.000 0.632 184 G HN 0.618 nan 8.290 nan 0.000 0.529 185 K N -0.276 120.072 120.400 -0.086 0.000 2.353 185 K HA 0.406 4.726 4.320 0.000 0.000 0.195 185 K C 1.125 177.674 176.600 -0.085 0.000 1.031 185 K CA -0.275 55.974 56.287 -0.064 0.000 1.079 185 K CB 0.499 32.980 32.500 -0.031 0.000 0.857 185 K HN 0.477 nan 8.250 nan 0.000 0.535 186 I N 1.920 122.415 120.570 -0.126 0.000 2.779 186 I HA -0.045 4.125 4.170 0.000 0.000 0.285 186 I C 0.862 176.894 176.117 -0.142 0.000 1.134 186 I CA 0.148 61.358 61.300 -0.150 0.000 1.398 186 I CB 0.876 38.753 38.000 -0.205 0.000 1.404 186 I HN 0.090 nan 8.210 nan 0.000 0.587 187 T N -0.035 114.430 114.554 -0.149 0.000 2.930 187 T HA 0.280 4.630 4.350 0.000 0.000 0.290 187 T C 0.615 175.212 174.700 -0.172 0.000 1.052 187 T CA -0.759 61.261 62.100 -0.133 0.000 1.017 187 T CB 1.731 70.539 68.868 -0.100 0.000 1.137 187 T HN 0.455 nan 8.240 nan 0.000 0.511 188 S N 0.325 115.952 115.700 -0.123 0.000 2.423 188 S HA -0.058 4.412 4.470 0.000 0.000 0.231 188 S C 1.740 176.335 174.600 -0.008 0.000 1.014 188 S CA 1.141 59.287 58.200 -0.090 0.000 0.965 188 S CB -0.445 62.769 63.200 0.023 0.000 0.785 188 S HN 0.809 nan 8.310 nan 0.000 0.495 189 E N 1.712 121.867 120.200 -0.074 0.000 2.047 189 E HA -0.110 4.240 4.350 0.000 0.000 0.191 189 E C 2.271 178.641 176.600 -0.382 0.000 0.987 189 E CA 1.109 57.367 56.400 -0.237 0.000 0.799 189 E CB -0.260 29.254 29.700 -0.311 0.000 0.752 189 E HN 0.538 nan 8.360 nan 0.000 0.449 190 Q N -0.112 119.542 119.800 -0.245 0.000 2.124 190 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 190 Q C 2.283 178.239 176.000 -0.072 0.000 0.977 190 Q CA 0.992 56.715 55.803 -0.134 0.000 0.850 190 Q CB -0.155 28.517 28.738 -0.110 0.000 0.901 190 Q HN 0.287 nan 8.270 nan 0.000 0.429 191 L N -0.667 120.422 121.223 -0.222 0.000 2.027 191 L HA -0.209 4.131 4.340 0.000 0.000 0.206 191 L C 2.202 179.078 176.870 0.010 0.000 1.074 191 L CA 1.468 56.070 54.840 -0.397 0.000 0.745 191 L CB -0.482 40.855 42.059 -1.202 0.000 0.898 191 L HN 0.285 nan 8.230 nan 0.000 0.433 192 H N -1.632 117.574 119.070 0.227 0.000 2.321 192 H HA -0.176 4.380 4.556 0.000 0.000 0.300 192 H C 2.412 177.912 175.328 0.287 0.000 1.087 192 H CA 1.733 57.975 56.048 0.324 0.000 1.319 192 H CB 0.072 29.993 29.762 0.265 0.000 1.379 192 H HN 0.294 nan 8.280 nan 0.000 0.501 193 H N -0.861 118.332 119.070 0.205 0.000 2.352 193 H HA -0.144 4.413 4.556 0.000 0.000 0.299 193 H C 2.004 177.373 175.328 0.067 0.000 1.097 193 H CA 1.374 57.487 56.048 0.107 0.000 1.311 193 H CB -0.755 29.060 29.762 0.088 0.000 1.377 193 H HN 0.325 nan 8.280 nan 0.000 0.504 194 F N 0.559 120.558 119.950 0.081 0.000 2.134 194 F HA -0.191 4.336 4.527 0.000 0.000 0.299 194 F C 2.268 177.981 175.800 -0.146 0.000 1.097 194 F CA 0.928 58.910 58.000 -0.031 0.000 1.264 194 F CB -0.293 38.655 39.000 -0.086 0.000 1.001 194 F HN -0.080 nan 8.300 nan 0.000 0.479 195 V N 0.294 120.202 119.914 -0.010 0.000 2.358 195 V HA -0.297 3.823 4.120 0.000 0.000 0.246 195 V C 2.144 178.128 176.094 -0.184 0.000 1.047 195 V CA 2.162 64.244 62.300 -0.364 0.000 1.035 195 V CB -0.766 30.901 31.823 -0.261 0.000 0.658 195 V HN 0.394 nan 8.190 nan 0.000 0.452 196 Q N 0.152 119.933 119.800 -0.033 0.000 2.167 196 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 196 Q C 1.632 177.600 176.000 -0.053 0.000 0.970 196 Q CA 1.288 57.081 55.803 -0.017 0.000 0.855 196 Q CB -0.204 28.538 28.738 0.006 0.000 0.911 196 Q HN 0.621 nan 8.270 nan 0.000 0.438 197 N N -0.140 118.498 118.700 -0.103 0.000 2.336 197 N HA 0.050 4.790 4.740 0.000 0.000 0.189 197 N C 0.524 175.930 175.510 -0.174 0.000 1.113 197 N CA 0.376 53.351 53.050 -0.125 0.000 0.858 197 N CB 0.400 38.808 38.487 -0.132 0.000 0.970 197 N HN 0.306 nan 8.380 nan 0.000 0.471 198 N N -0.385 118.201 118.700 -0.189 0.000 2.372 198 N HA 0.075 4.815 4.740 0.000 0.000 0.242 198 N C -0.432 175.179 175.510 0.168 0.000 1.124 198 N CA -0.000 52.959 53.050 -0.152 0.000 0.824 198 N CB 0.239 38.454 38.487 -0.454 0.000 1.468 198 N HN -0.035 nan 8.380 nan 0.000 0.470 199 F N 3.441 123.327 119.950 -0.107 0.000 2.659 199 F HA 0.204 4.731 4.527 0.000 0.000 0.360 199 F C 0.890 176.665 175.800 -0.043 0.000 1.218 199 F CA -0.612 57.357 58.000 -0.052 0.000 1.317 199 F CB -1.091 37.893 39.000 -0.026 0.000 1.697 199 F HN -0.183 nan 8.300 nan 0.000 0.637 200 T N -3.445 111.177 114.554 0.113 0.000 2.855 200 T HA 0.282 4.632 4.350 0.000 0.000 0.281 200 T C 1.281 176.003 174.700 0.038 0.000 1.007 200 T CA -0.203 61.932 62.100 0.059 0.000 1.009 200 T CB 1.746 70.633 68.868 0.033 0.000 0.983 200 T HN 0.289 nan 8.240 nan 0.000 0.455 201 S N 2.127 117.846 115.700 0.032 0.000 2.421 201 S HA -0.242 4.228 4.470 0.000 0.000 0.239 201 S C 2.044 176.658 174.600 0.023 0.000 1.054 201 S CA 1.080 59.295 58.200 0.025 0.000 1.035 201 S CB -1.016 62.198 63.200 0.023 0.000 0.840 201 S HN 1.163 nan 8.310 nan 0.000 0.475 202 A N 0.841 123.675 122.820 0.024 0.000 2.251 202 A HA 0.320 4.640 4.320 0.000 0.000 0.209 202 A C 2.066 179.668 177.584 0.030 0.000 1.187 202 A CA 0.110 52.163 52.037 0.026 0.000 0.823 202 A CB -0.152 18.864 19.000 0.026 0.000 0.846 202 A HN 0.621 nan 8.150 nan 0.000 0.486 203 R N -1.617 118.898 120.500 0.025 0.000 2.476 203 R HA 0.398 4.738 4.340 0.000 0.000 0.276 203 R C -0.403 175.905 176.300 0.014 0.000 0.941 203 R CA 0.019 56.133 56.100 0.023 0.000 1.088 203 R CB 0.421 30.726 30.300 0.009 0.000 1.216 203 R HN 0.403 nan 8.270 nan 0.000 0.533 204 M N 0.345 119.952 119.600 0.011 0.000 2.528 204 M HA 0.549 5.029 4.480 0.000 0.000 0.321 204 M C -0.963 175.360 176.300 0.038 0.000 1.153 204 M CA -0.752 54.554 55.300 0.009 0.000 0.951 204 M CB 2.484 35.069 32.600 -0.026 0.000 1.705 204 M HN -0.054 nan 8.290 nan 0.000 0.451 205 A N 2.411 125.277 122.820 0.077 0.000 2.374 205 A HA 0.741 5.061 4.320 0.000 0.000 0.305 205 A C -1.521 176.134 177.584 0.119 0.000 1.053 205 A CA -0.612 51.465 52.037 0.068 0.000 0.726 205 A CB 1.187 20.198 19.000 0.019 0.000 1.229 205 A HN 0.781 nan 8.150 nan 0.000 0.431 206 L N 4.456 125.722 121.223 0.072 0.000 2.407 206 L HA 0.476 4.816 4.340 0.000 0.000 0.261 206 L C -0.410 176.499 176.870 0.065 0.000 1.108 206 L CA -0.052 54.839 54.840 0.085 0.000 0.995 206 L CB 0.105 42.187 42.059 0.038 0.000 1.349 206 L HN 0.455 nan 8.230 nan 0.000 0.423 207 V N 2.119 122.103 119.914 0.115 0.000 3.264 207 V HA 0.768 4.888 4.120 0.000 0.000 0.304 207 V C 0.925 177.072 176.094 0.088 0.000 1.086 207 V CA -0.009 62.321 62.300 0.050 0.000 1.090 207 V CB 1.133 32.926 31.823 -0.049 0.000 1.112 207 V HN 0.820 nan 8.190 nan 0.000 0.472 208 G N 1.864 110.694 108.800 0.051 0.000 2.287 208 G HA2 0.410 4.370 3.960 0.000 0.000 0.303 208 G HA3 0.410 4.370 3.960 0.000 0.000 0.303 208 G C -1.043 173.868 174.900 0.018 0.000 2.212 208 G CA -0.656 44.470 45.100 0.044 0.000 0.928 208 G HN 0.507 nan 8.290 nan 0.000 0.440 209 I N 1.106 121.693 120.570 0.029 0.000 2.720 209 I HA 0.421 4.591 4.170 0.000 0.000 0.287 209 I C 1.548 177.657 176.117 -0.013 0.000 1.090 209 I CA 0.971 62.274 61.300 0.005 0.000 1.384 209 I CB 1.337 39.348 38.000 0.019 0.000 1.420 209 I HN 0.966 nan 8.210 nan 0.000 0.575 210 G N 3.978 112.751 108.800 -0.046 0.000 2.160 210 G HA2 -0.149 3.811 3.960 0.000 0.000 0.251 210 G HA3 -0.149 3.811 3.960 0.000 0.000 0.251 210 G C -0.209 174.638 174.900 -0.089 0.000 1.008 210 G CA 0.235 45.294 45.100 -0.068 0.000 0.724 210 G HN 0.872 nan 8.290 nan 0.000 0.514 211 V N -4.335 115.520 119.914 -0.098 0.000 3.147 211 V HA 0.802 4.922 4.120 0.000 0.000 0.306 211 V C 0.037 176.072 176.094 -0.098 0.000 1.209 211 V CA -1.395 60.851 62.300 -0.091 0.000 1.023 211 V CB 1.902 33.694 31.823 -0.052 0.000 1.059 211 V HN 0.425 nan 8.190 nan 0.000 0.435 212 K N 0.611 120.960 120.400 -0.085 0.000 2.297 212 K HA 0.262 4.582 4.320 0.000 0.000 0.286 212 K C 0.953 177.546 176.600 -0.012 0.000 1.053 212 K CA -0.127 56.129 56.287 -0.051 0.000 0.940 212 K CB 0.500 32.974 32.500 -0.042 0.000 1.019 212 K HN 0.975 nan 8.250 nan 0.000 0.475 213 H N 2.243 121.279 119.070 -0.057 0.000 2.394 213 H HA -0.212 4.344 4.556 0.000 0.000 0.297 213 H C 1.888 177.197 175.328 -0.031 0.000 1.113 213 H CA 2.779 58.803 56.048 -0.041 0.000 1.277 213 H CB 0.303 30.041 29.762 -0.040 0.000 1.370 213 H HN 0.785 nan 8.280 nan 0.000 0.506 214 S N -0.398 115.340 115.700 0.064 0.000 2.368 214 S HA -0.185 4.285 4.470 0.000 0.000 0.225 214 S C 1.823 176.395 174.600 -0.046 0.000 1.030 214 S CA 1.392 59.603 58.200 0.019 0.000 0.999 214 S CB -0.128 63.085 63.200 0.022 0.000 0.844 214 S HN 0.473 nan 8.310 nan 0.000 0.459 215 D N 1.609 121.979 120.400 -0.050 0.000 2.084 215 D HA -0.043 4.597 4.640 0.000 0.000 0.194 215 D C 1.972 178.227 176.300 -0.074 0.000 0.990 215 D CA 1.114 55.082 54.000 -0.054 0.000 0.826 215 D CB -0.535 40.243 40.800 -0.037 0.000 0.971 215 D HN 0.374 nan 8.370 nan 0.000 0.453 216 L N 1.300 122.456 121.223 -0.112 0.000 2.191 216 L HA -0.128 4.212 4.340 0.000 0.000 0.212 216 L C 2.020 178.799 176.870 -0.152 0.000 1.103 216 L CA 1.635 56.400 54.840 -0.125 0.000 0.769 216 L CB -0.366 41.592 42.059 -0.170 0.000 0.908 216 L HN -0.116 nan 8.230 nan 0.000 0.438 217 K N -0.981 119.295 120.400 -0.206 0.000 2.076 217 K HA -0.200 4.120 4.320 0.000 0.000 0.204 217 K C 2.160 178.701 176.600 -0.098 0.000 1.051 217 K CA 1.238 57.429 56.287 -0.159 0.000 0.949 217 K CB -0.182 32.235 32.500 -0.139 0.000 0.726 217 K HN 0.508 nan 8.250 nan 0.000 0.443 218 Q N 0.614 120.354 119.800 -0.100 0.000 2.234 218 Q HA -0.134 4.206 4.340 0.000 0.000 0.206 218 Q C 1.707 177.597 176.000 -0.183 0.000 0.980 218 Q CA 1.370 57.095 55.803 -0.130 0.000 0.869 218 Q CB 0.142 28.804 28.738 -0.125 0.000 0.912 218 Q HN 0.199 nan 8.270 nan 0.000 0.436 219 V N 0.860 120.714 119.914 -0.100 0.000 2.239 219 V HA -0.230 3.890 4.120 0.000 0.000 0.242 219 V C 2.439 178.567 176.094 0.056 0.000 1.038 219 V CA 1.713 64.021 62.300 0.013 0.000 1.002 219 V CB -1.301 30.590 31.823 0.113 0.000 0.641 219 V HN 0.536 nan 8.190 nan 0.000 0.449 220 A N 0.813 123.647 122.820 0.023 0.000 1.940 220 A HA -0.332 3.988 4.320 0.000 0.000 0.221 220 A C 2.128 179.726 177.584 0.023 0.000 1.190 220 A CA 2.618 54.672 52.037 0.029 0.000 0.647 220 A CB -0.557 18.439 19.000 -0.007 0.000 0.821 220 A HN 0.842 nan 8.150 nan 0.000 0.457 221 E N -1.031 119.155 120.200 -0.024 0.000 2.021 221 E HA -0.158 4.192 4.350 0.000 0.000 0.191 221 E C 1.900 178.472 176.600 -0.046 0.000 0.971 221 E CA 0.635 57.016 56.400 -0.031 0.000 0.825 221 E CB -0.686 28.984 29.700 -0.051 0.000 0.788 221 E HN 0.566 nan 8.360 nan 0.000 0.460 222 Q N -0.528 119.180 119.800 -0.152 0.000 2.541 222 Q HA -0.043 4.298 4.340 0.000 0.000 0.216 222 Q C 0.099 175.964 176.000 -0.224 0.000 0.968 222 Q CA 0.650 56.309 55.803 -0.240 0.000 0.989 222 Q CB -0.137 28.360 28.738 -0.402 0.000 0.991 222 Q HN 0.461 nan 8.270 nan 0.000 0.549 223 F N -2.062 117.875 119.950 -0.022 0.000 2.360 223 F HA 0.164 4.691 4.527 0.000 0.000 0.295 223 F C 0.207 175.993 175.800 -0.023 0.000 0.844 223 F CA -0.779 57.205 58.000 -0.026 0.000 1.072 223 F CB 0.668 39.649 39.000 -0.032 0.000 1.005 223 F HN -0.119 nan 8.300 nan 0.000 0.727 224 L N 2.666 123.995 121.223 0.177 0.000 2.455 224 L HA 0.063 4.403 4.340 0.000 0.000 0.272 224 L C 0.332 177.240 176.870 0.063 0.000 1.174 224 L CA 0.173 55.065 54.840 0.087 0.000 0.869 224 L CB 0.286 42.381 42.059 0.059 0.000 1.130 224 L HN 0.325 nan 8.230 nan 0.000 0.474 225 N N 2.570 121.296 118.700 0.043 0.000 2.557 225 N HA 0.235 4.975 4.740 0.000 0.000 0.217 225 N C 0.505 176.029 175.510 0.024 0.000 1.062 225 N CA 0.001 53.070 53.050 0.032 0.000 0.863 225 N CB 0.604 39.107 38.487 0.026 0.000 1.390 225 N HN 0.410 nan 8.380 nan 0.000 0.445 226 I N 2.898 123.483 120.570 0.024 0.000 2.742 226 I HA -0.095 4.076 4.170 0.000 0.000 0.287 226 I C 0.696 176.833 176.117 0.033 0.000 1.186 226 I CA 0.841 62.158 61.300 0.028 0.000 1.417 226 I CB 0.235 38.262 38.000 0.045 0.000 1.377 226 I HN 0.059 nan 8.210 nan 0.000 0.556 227 R N 3.289 123.803 120.500 0.024 0.000 3.270 227 R HA 0.474 4.814 4.340 0.000 0.000 0.252 227 R C -0.463 175.847 176.300 0.018 0.000 1.331 227 R CA -0.526 55.588 56.100 0.023 0.000 1.028 227 R CB 0.950 31.262 30.300 0.019 0.000 1.450 227 R HN 0.746 nan 8.270 nan 0.000 0.471 228 S N -0.500 115.210 115.700 0.016 0.000 3.636 228 S HA -0.050 4.420 4.470 0.000 0.000 0.856 228 S C 0.446 175.053 174.600 0.013 0.000 1.279 228 S CA 0.351 58.559 58.200 0.013 0.000 0.705 228 S CB -1.277 61.928 63.200 0.009 0.000 0.548 228 S HN 1.522 nan 8.310 nan 0.000 0.300 229 G N 1.875 110.683 108.800 0.014 0.000 2.782 229 G HA2 0.375 4.335 3.960 0.000 0.000 0.228 229 G HA3 0.375 4.335 3.960 0.000 0.000 0.228 229 G C 0.343 175.254 174.900 0.018 0.000 1.372 229 G CA 0.751 45.859 45.100 0.014 0.000 0.862 229 G HN 2.383 nan 8.290 nan 0.000 0.547 230 A N -0.426 122.406 122.820 0.020 0.000 2.508 230 A HA 0.762 5.082 4.320 0.000 0.000 0.250 230 A C 2.220 179.817 177.584 0.020 0.000 1.208 230 A CA 1.513 53.566 52.037 0.027 0.000 0.960 230 A CB -0.344 18.681 19.000 0.042 0.000 1.099 230 A HN 2.960 nan 8.150 nan 0.000 0.542 231 G N 0.139 108.944 108.800 0.008 0.000 2.564 231 G HA2 -0.273 3.687 3.960 0.000 0.000 0.309 231 G HA3 -0.273 3.687 3.960 0.000 0.000 0.309 231 G C 0.382 175.291 174.900 0.015 0.000 1.320 231 G CA 0.173 45.270 45.100 -0.005 0.000 0.941 231 G HN 0.851 nan 8.290 nan 0.000 0.543 232 T N 0.956 115.512 114.554 0.002 0.000 2.830 232 T HA 0.344 4.695 4.350 0.000 0.000 0.282 232 T C 0.623 175.410 174.700 0.145 0.000 1.024 232 T CA 1.165 63.296 62.100 0.053 0.000 1.144 232 T CB 0.044 68.934 68.868 0.037 0.000 1.035 232 T HN 0.828 nan 8.240 nan 0.000 0.507 233 S N 2.543 118.316 115.700 0.121 0.000 2.475 233 S HA 0.443 4.913 4.470 0.000 0.000 0.298 233 S C 0.253 174.881 174.600 0.046 0.000 1.119 233 S CA -0.767 57.507 58.200 0.123 0.000 1.085 233 S CB 1.674 64.914 63.200 0.067 0.000 1.028 233 S HN 0.751 nan 8.310 nan 0.000 0.489 234 S N 2.441 118.081 115.700 -0.100 0.000 2.564 234 S HA 0.511 4.981 4.470 0.000 0.000 0.278 234 S C 0.468 174.981 174.600 -0.145 0.000 1.333 234 S CA -0.691 57.319 58.200 -0.316 0.000 1.048 234 S CB 0.239 62.977 63.200 -0.769 0.000 0.900 234 S HN 0.867 nan 8.310 nan 0.000 0.505 235 A N 5.384 128.140 122.820 -0.107 0.000 2.466 235 A HA 0.314 4.634 4.320 0.000 0.000 0.238 235 A C 0.551 178.111 177.584 -0.041 0.000 1.074 235 A CA -0.271 51.738 52.037 -0.046 0.000 0.774 235 A CB 0.111 19.096 19.000 -0.025 0.000 1.015 235 A HN 0.836 nan 8.150 nan 0.000 0.498 236 K N 0.384 120.783 120.400 -0.001 0.000 2.494 236 K HA 0.153 4.473 4.320 0.000 0.000 0.273 236 K C 0.425 177.059 176.600 0.056 0.000 0.970 236 K CA 0.689 56.993 56.287 0.029 0.000 0.963 236 K CB 0.393 32.921 32.500 0.046 0.000 0.913 236 K HN 0.749 nan 8.250 nan 0.000 0.502 237 A N 3.363 126.245 122.820 0.104 0.000 2.666 237 A HA 0.177 4.497 4.320 0.000 0.000 0.312 237 A C 0.069 177.813 177.584 0.267 0.000 1.471 237 A CA -0.269 51.895 52.037 0.211 0.000 1.134 237 A CB -0.358 18.812 19.000 0.283 0.000 1.129 237 A HN 0.547 nan 8.150 nan 0.000 0.539 238 T N 1.805 116.487 114.554 0.214 0.000 2.918 238 T HA 0.236 4.586 4.350 0.000 0.000 0.302 238 T C -0.373 174.428 174.700 0.167 0.000 1.045 238 T CA 0.651 62.853 62.100 0.170 0.000 1.114 238 T CB 0.267 69.205 68.868 0.117 0.000 0.965 238 T HN 0.477 nan 8.240 nan 0.000 0.540 239 Y N 1.991 122.289 120.300 -0.003 0.000 2.328 239 Y HA 0.351 4.901 4.550 0.000 0.000 0.337 239 Y C 0.027 175.954 175.900 0.046 0.000 1.008 239 Y CA -0.882 57.140 58.100 -0.130 0.000 1.129 239 Y CB 0.734 39.087 38.460 -0.178 0.000 1.185 239 Y HN 0.846 nan 8.280 nan 0.000 0.476 240 W N 5.130 126.177 121.300 -0.422 0.000 2.674 240 W HA 0.272 4.932 4.660 0.000 0.000 0.298 240 W C 0.995 177.476 176.519 -0.063 0.000 1.115 240 W CA 1.446 58.693 57.345 -0.163 0.000 1.532 240 W CB -0.416 28.949 29.460 -0.158 0.000 1.142 240 W HN 0.811 nan 8.180 nan 0.000 0.528 241 G N 1.217 109.732 108.800 -0.474 0.000 2.414 241 G HA2 0.070 4.031 3.960 0.000 0.000 0.256 241 G HA3 0.070 4.031 3.960 0.000 0.000 0.256 241 G C 0.178 174.636 174.900 -0.737 0.000 1.128 241 G CA 0.062 44.999 45.100 -0.271 0.000 0.944 241 G HN 0.705 nan 8.290 nan 0.000 0.500 242 G N -0.935 107.095 108.800 -1.283 0.000 2.557 242 G HA2 0.751 4.711 3.960 0.000 0.000 0.302 242 G HA3 0.751 4.711 3.960 0.000 0.000 0.302 242 G C -0.276 174.199 174.900 -0.708 0.000 1.311 242 G CA 0.104 44.310 45.100 -1.491 0.000 1.030 242 G HN 0.790 nan 8.290 nan 0.000 0.509 243 E N -0.466 119.433 120.200 -0.502 0.000 2.343 243 E HA 0.364 4.714 4.350 0.000 0.000 0.260 243 E C -1.237 175.263 176.600 -0.167 0.000 0.908 243 E CA -0.508 55.733 56.400 -0.265 0.000 0.814 243 E CB 1.052 30.658 29.700 -0.155 0.000 1.302 243 E HN 0.331 nan 8.360 nan 0.000 0.408 244 I N 4.591 125.073 120.570 -0.147 0.000 2.321 244 I HA 0.432 4.602 4.170 0.000 0.000 0.291 244 I C 0.087 176.150 176.117 -0.089 0.000 0.998 244 I CA -0.649 60.610 61.300 -0.068 0.000 1.227 244 I CB 1.252 39.239 38.000 -0.023 0.000 1.368 244 I HN 0.359 nan 8.210 nan 0.000 0.466 245 R N 4.711 125.165 120.500 -0.077 0.000 2.589 245 R HA 0.499 4.839 4.340 0.000 0.000 0.293 245 R C -0.621 175.643 176.300 -0.061 0.000 0.963 245 R CA -0.793 55.241 56.100 -0.109 0.000 0.905 245 R CB 2.191 32.389 30.300 -0.171 0.000 1.144 245 R HN 0.527 nan 8.270 nan 0.000 0.459 246 E N 2.451 122.612 120.200 -0.065 0.000 2.331 246 E HA 0.054 4.404 4.350 0.000 0.000 0.243 246 E C -1.256 175.325 176.600 -0.032 0.000 0.925 246 E CA -0.706 55.672 56.400 -0.035 0.000 0.760 246 E CB 1.197 30.880 29.700 -0.029 0.000 1.254 246 E HN 0.288 nan 8.360 nan 0.000 0.419 247 Q N 3.437 123.227 119.800 -0.017 0.000 2.307 247 Q HA 0.080 4.420 4.340 0.000 0.000 0.261 247 Q C -0.219 175.787 176.000 0.011 0.000 1.051 247 Q CA 0.699 56.499 55.803 -0.005 0.000 0.911 247 Q CB 0.197 28.937 28.738 0.004 0.000 1.227 247 Q HN 0.732 nan 8.270 nan 0.000 0.418 248 N N 2.413 121.126 118.700 0.022 0.000 2.116 248 N HA 0.194 4.934 4.740 0.000 0.000 0.230 248 N C 0.811 176.373 175.510 0.086 0.000 1.326 248 N CA 0.084 53.161 53.050 0.045 0.000 0.867 248 N CB 0.754 39.258 38.487 0.029 0.000 1.174 248 N HN 0.666 nan 8.380 nan 0.000 0.506 249 G N 1.285 110.129 108.800 0.073 0.000 2.363 249 G HA2 -0.338 3.622 3.960 0.000 0.000 0.238 249 G HA3 -0.338 3.622 3.960 0.000 0.000 0.238 249 G C 0.002 174.959 174.900 0.095 0.000 1.062 249 G CA 0.353 45.495 45.100 0.071 0.000 0.629 249 G HN 0.594 nan 8.290 nan 0.000 0.514 250 H N 1.804 120.877 119.070 0.006 0.000 3.212 250 H HA 0.224 4.780 4.556 0.000 0.000 0.292 250 H C 2.159 177.500 175.328 0.023 0.000 0.922 250 H CA 1.253 57.310 56.048 0.015 0.000 1.389 250 H CB 0.882 30.654 29.762 0.015 0.000 1.321 250 H HN 0.523 nan 8.280 nan 0.000 0.563 251 S N 3.444 119.145 115.700 0.001 0.000 2.440 251 S HA -0.079 4.391 4.470 0.000 0.000 0.238 251 S C 0.726 175.373 174.600 0.079 0.000 1.010 251 S CA 0.629 58.841 58.200 0.021 0.000 0.972 251 S CB 0.092 63.283 63.200 -0.015 0.000 0.774 251 S HN 0.403 nan 8.310 nan 0.000 0.501 252 L N 1.920 123.238 121.223 0.158 0.000 2.317 252 L HA 0.569 4.909 4.340 0.000 0.000 0.281 252 L C -0.855 176.161 176.870 0.244 0.000 1.024 252 L CA -0.883 54.079 54.840 0.204 0.000 0.810 252 L CB 1.909 44.127 42.059 0.266 0.000 1.240 252 L HN 0.015 nan 8.230 nan 0.000 0.427 253 V N 2.435 122.456 119.914 0.178 0.000 2.398 253 V HA 0.327 4.447 4.120 0.000 0.000 0.286 253 V C -0.219 175.975 176.094 0.166 0.000 1.026 253 V CA -0.550 61.834 62.300 0.140 0.000 0.868 253 V CB 1.349 33.203 31.823 0.052 0.000 0.982 253 V HN 0.608 nan 8.190 nan 0.000 0.443 254 H N 3.341 122.391 119.070 -0.033 0.000 2.476 254 H HA 0.733 5.290 4.556 0.000 0.000 0.328 254 H C -0.140 175.025 175.328 -0.272 0.000 1.073 254 H CA -0.339 55.661 56.048 -0.079 0.000 1.229 254 H CB 2.056 31.818 29.762 0.000 0.000 1.432 254 H HN 0.771 nan 8.280 nan 0.000 0.477 255 A N 2.408 125.034 122.820 -0.323 0.000 2.414 255 A HA 0.759 5.079 4.320 0.000 0.000 0.306 255 A C -1.185 176.034 177.584 -0.609 0.000 1.054 255 A CA -0.554 51.264 52.037 -0.364 0.000 0.724 255 A CB 1.607 20.506 19.000 -0.168 0.000 1.267 255 A HN 0.724 nan 8.150 nan 0.000 0.418 256 A N 1.336 123.811 122.820 -0.576 0.000 2.402 256 A HA 0.650 4.970 4.320 0.000 0.000 0.291 256 A C -1.285 175.981 177.584 -0.531 0.000 1.051 256 A CA -0.370 51.283 52.037 -0.639 0.000 0.716 256 A CB 1.246 19.806 19.000 -0.733 0.000 1.223 256 A HN 1.268 nan 8.150 nan 0.000 0.425 257 V N 3.796 123.284 119.914 -0.709 0.000 2.409 257 V HA 0.663 4.783 4.120 0.000 0.000 0.291 257 V C 0.203 176.102 176.094 -0.326 0.000 1.020 257 V CA -0.224 61.758 62.300 -0.531 0.000 0.848 257 V CB 1.150 32.636 31.823 -0.561 0.000 0.990 257 V HN 1.230 nan 8.190 nan 0.000 0.430 258 V N 2.424 122.271 119.914 -0.112 0.000 3.119 258 V HA 0.926 5.046 4.120 0.000 0.000 0.311 258 V C -0.413 175.707 176.094 0.044 0.000 1.259 258 V CA -0.509 61.861 62.300 0.117 0.000 1.067 258 V CB 2.394 34.288 31.823 0.119 0.000 1.123 258 V HN 0.692 nan 8.190 nan 0.000 0.463 259 T N -0.099 114.535 114.554 0.133 0.000 2.821 259 T HA 0.403 4.753 4.350 0.000 0.000 0.306 259 T C -1.039 173.707 174.700 0.077 0.000 1.313 259 T CA -0.464 61.637 62.100 0.002 0.000 1.012 259 T CB 1.862 70.621 68.868 -0.182 0.000 1.298 259 T HN 1.102 nan 8.240 nan 0.000 0.502 260 E N 0.724 120.858 120.200 -0.110 0.000 2.585 260 E HA 0.346 4.696 4.350 0.000 0.000 0.252 260 E C 0.710 177.293 176.600 -0.029 0.000 0.981 260 E CA 0.302 56.673 56.400 -0.049 0.000 0.943 260 E CB 0.042 29.570 29.700 -0.286 0.000 0.923 260 E HN 0.700 nan 8.360 nan 0.000 0.486 261 G N 3.002 111.781 108.800 -0.036 0.000 2.882 261 G HA2 0.627 4.587 3.960 0.000 0.000 0.164 261 G HA3 0.627 4.587 3.960 0.000 0.000 0.164 261 G C -0.696 174.125 174.900 -0.132 0.000 1.429 261 G CA -0.058 44.858 45.100 -0.306 0.000 1.059 261 G HN 0.713 nan 8.290 nan 0.000 0.581 262 A N -1.317 121.417 122.820 -0.143 0.000 2.311 262 A HA 0.826 5.146 4.320 0.000 0.000 0.334 262 A C 0.352 177.978 177.584 0.070 0.000 1.139 262 A CA 0.221 52.306 52.037 0.081 0.000 0.830 262 A CB 1.092 20.234 19.000 0.237 0.000 1.234 262 A HN 1.519 nan 8.150 nan 0.000 0.483 263 A N 0.373 123.252 122.820 0.097 0.000 2.246 263 A HA 0.620 4.940 4.320 0.000 0.000 0.291 263 A C 0.162 177.793 177.584 0.079 0.000 1.103 263 A CA -0.350 51.747 52.037 0.101 0.000 0.844 263 A CB 0.030 19.094 19.000 0.107 0.000 1.136 263 A HN 1.062 nan 8.150 nan 0.000 0.500 264 V N 0.004 119.965 119.914 0.079 0.000 2.834 264 V HA 0.492 4.612 4.120 0.000 0.000 0.301 264 V C 1.655 177.782 176.094 0.055 0.000 1.066 264 V CA 1.134 63.470 62.300 0.060 0.000 1.052 264 V CB 0.590 32.454 31.823 0.069 0.000 1.021 264 V HN 1.925 nan 8.190 nan 0.000 0.480 265 G N 3.039 111.862 108.800 0.038 0.000 2.220 265 G HA2 -0.294 3.666 3.960 0.000 0.000 0.269 265 G HA3 -0.294 3.666 3.960 0.000 0.000 0.269 265 G C 0.596 175.514 174.900 0.029 0.000 0.977 265 G CA 0.542 45.660 45.100 0.029 0.000 0.634 265 G HN 1.084 nan 8.290 nan 0.000 0.539 266 S N 0.295 116.020 115.700 0.042 0.000 2.565 266 S HA 0.669 5.139 4.470 0.000 0.000 0.276 266 S C 1.754 176.376 174.600 0.036 0.000 1.326 266 S CA 0.561 58.788 58.200 0.045 0.000 1.045 266 S CB 1.282 64.523 63.200 0.068 0.000 0.918 266 S HN 1.565 nan 8.310 nan 0.000 0.505 267 A N 3.484 126.318 122.820 0.024 0.000 1.930 267 A HA -0.034 4.286 4.320 0.000 0.000 0.217 267 A C 1.921 179.511 177.584 0.010 0.000 1.175 267 A CA 1.572 53.614 52.037 0.008 0.000 0.627 267 A CB -0.825 18.174 19.000 -0.002 0.000 0.815 267 A HN 0.983 nan 8.150 nan 0.000 0.443 268 E N -0.048 120.169 120.200 0.028 0.000 2.401 268 E HA -0.051 4.299 4.350 0.000 0.000 0.199 268 E C 1.866 178.529 176.600 0.106 0.000 1.023 268 E CA 0.583 57.002 56.400 0.031 0.000 0.859 268 E CB -0.207 29.537 29.700 0.074 0.000 0.780 268 E HN 0.601 nan 8.360 nan 0.000 0.523 269 A N 1.895 124.781 122.820 0.111 0.000 1.824 269 A HA -0.258 4.062 4.320 0.000 0.000 0.215 269 A C 1.876 179.529 177.584 0.115 0.000 1.209 269 A CA 1.634 53.755 52.037 0.141 0.000 0.614 269 A CB -0.838 18.209 19.000 0.078 0.000 0.852 269 A HN 0.344 nan 8.150 nan 0.000 0.447 270 N N 0.538 119.267 118.700 0.048 0.000 2.139 270 N HA -0.319 4.421 4.740 0.000 0.000 0.199 270 N C 1.901 177.418 175.510 0.013 0.000 1.003 270 N CA 1.922 54.986 53.050 0.023 0.000 0.892 270 N CB -0.574 37.906 38.487 -0.011 0.000 1.039 270 N HN 0.550 nan 8.380 nan 0.000 0.461 271 A N 0.943 123.737 122.820 -0.043 0.000 1.865 271 A HA -0.131 4.189 4.320 0.000 0.000 0.217 271 A C 2.160 179.642 177.584 -0.170 0.000 1.191 271 A CA 1.302 53.249 52.037 -0.150 0.000 0.623 271 A CB -1.059 17.772 19.000 -0.282 0.000 0.826 271 A HN 0.250 nan 8.150 nan 0.000 0.444 272 F N 0.643 120.526 119.950 -0.110 0.000 2.102 272 F HA -0.170 4.357 4.527 0.000 0.000 0.298 272 F C 2.898 178.714 175.800 0.027 0.000 1.105 272 F CA 1.495 59.385 58.000 -0.184 0.000 1.239 272 F CB -0.242 38.638 39.000 -0.199 0.000 0.991 272 F HN 0.156 nan 8.300 nan 0.000 0.474 273 S N -0.052 115.799 115.700 0.252 0.000 2.374 273 S HA -0.197 4.273 4.470 0.000 0.000 0.227 273 S C 2.147 176.871 174.600 0.207 0.000 1.037 273 S CA 1.460 59.779 58.200 0.198 0.000 1.024 273 S CB -0.640 62.648 63.200 0.147 0.000 0.861 273 S HN 0.137 nan 8.310 nan 0.000 0.456 274 V N 1.654 121.664 119.914 0.160 0.000 2.323 274 V HA -0.076 4.044 4.120 0.000 0.000 0.244 274 V C 2.190 178.371 176.094 0.145 0.000 1.041 274 V CA 1.440 63.832 62.300 0.154 0.000 1.025 274 V CB -0.671 31.191 31.823 0.065 0.000 0.656 274 V HN 0.418 nan 8.190 nan 0.000 0.451 275 L N 0.197 121.477 121.223 0.095 0.000 2.261 275 L HA -0.204 4.136 4.340 0.000 0.000 0.216 275 L C 2.318 179.340 176.870 0.253 0.000 1.114 275 L CA 2.036 56.943 54.840 0.111 0.000 0.777 275 L CB -0.788 41.262 42.059 -0.014 0.000 0.910 275 L HN 0.427 nan 8.230 nan 0.000 0.440 276 Q N -1.301 118.678 119.800 0.297 0.000 1.967 276 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 276 Q C 2.191 178.214 176.000 0.037 0.000 0.985 276 Q CA 1.847 57.772 55.803 0.203 0.000 0.839 276 Q CB -0.259 28.523 28.738 0.072 0.000 0.906 276 Q HN 0.645 nan 8.270 nan 0.000 0.423 277 H N -0.533 118.612 119.070 0.125 0.000 2.387 277 H HA -0.107 4.449 4.556 0.000 0.000 0.299 277 H C 2.286 177.660 175.328 0.078 0.000 1.099 277 H CA 1.523 57.622 56.048 0.085 0.000 1.315 277 H CB -0.109 29.691 29.762 0.064 0.000 1.380 277 H HN 0.164 nan 8.280 nan 0.000 0.513 278 V N 1.208 121.232 119.914 0.184 0.000 2.287 278 V HA -0.243 3.877 4.120 0.000 0.000 0.248 278 V C 2.777 178.936 176.094 0.107 0.000 1.053 278 V CA 1.500 63.873 62.300 0.122 0.000 1.027 278 V CB -0.597 31.282 31.823 0.093 0.000 0.646 278 V HN 0.245 nan 8.190 nan 0.000 0.447 279 L N -0.251 121.043 121.223 0.118 0.000 2.217 279 L HA 0.243 4.583 4.340 0.000 0.000 0.211 279 L C 1.065 177.994 176.870 0.098 0.000 1.107 279 L CA 0.987 55.888 54.840 0.100 0.000 0.783 279 L CB -0.430 41.700 42.059 0.118 0.000 0.919 279 L HN 0.589 nan 8.230 nan 0.000 0.442 280 G N -0.151 108.708 108.800 0.099 0.000 3.434 280 G HA2 0.161 4.122 3.960 0.000 0.000 0.686 280 G HA3 0.161 4.122 3.960 0.000 0.000 0.686 280 G C -0.605 174.335 174.900 0.066 0.000 1.099 280 G CA -0.524 44.639 45.100 0.105 0.000 0.931 280 G HN 0.332 nan 8.290 nan 0.000 0.520 281 A N 1.686 124.527 122.820 0.035 0.000 2.943 281 A HA 1.058 5.378 4.320 0.000 0.000 0.327 281 A C 0.947 178.548 177.584 0.028 0.000 1.141 281 A CA 0.833 52.860 52.037 -0.017 0.000 0.773 281 A CB 0.566 19.464 19.000 -0.170 0.000 1.143 281 A HN 2.925 nan 8.150 nan 0.000 0.463 282 G N 2.750 111.583 108.800 0.056 0.000 3.039 282 G HA2 0.053 4.013 3.960 0.000 0.000 0.686 282 G HA3 0.053 4.013 3.960 0.000 0.000 0.686 282 G C -2.346 172.589 174.900 0.059 0.000 1.066 282 G CA -0.461 44.670 45.100 0.052 0.000 0.774 282 G HN 0.753 nan 8.290 nan 0.000 0.591 283 P HA 0.406 nan 4.420 nan 0.000 0.275 283 P C 0.868 178.170 177.300 0.004 0.000 1.228 283 P CA -0.522 62.583 63.100 0.007 0.000 0.786 283 P CB 1.009 32.705 31.700 -0.007 0.000 0.927 284 L N 0.991 122.208 121.223 -0.010 0.000 2.731 284 L HA 0.366 4.706 4.340 0.000 0.000 0.240 284 L C 0.778 177.637 176.870 -0.018 0.000 1.120 284 L CA 0.158 54.994 54.840 -0.006 0.000 0.913 284 L CB 0.125 42.183 42.059 -0.001 0.000 1.213 284 L HN 0.281 nan 8.230 nan 0.000 0.515 285 I N 0.906 121.457 120.570 -0.032 0.000 2.439 285 I HA 0.183 4.353 4.170 0.000 0.000 0.285 285 I C 0.163 176.258 176.117 -0.036 0.000 1.021 285 I CA -0.591 60.688 61.300 -0.034 0.000 1.091 285 I CB 2.089 40.062 38.000 -0.045 0.000 1.242 285 I HN -0.020 nan 8.210 nan 0.000 0.439 286 K N 6.647 127.033 120.400 -0.025 0.000 2.504 286 K HA -0.012 4.308 4.320 0.000 0.000 0.278 286 K C 0.607 177.192 176.600 -0.026 0.000 1.025 286 K CA 0.580 56.855 56.287 -0.021 0.000 1.093 286 K CB 0.243 32.735 32.500 -0.014 0.000 0.873 286 K HN 0.592 nan 8.250 nan 0.000 0.483 287 R N 0.560 121.045 120.500 -0.026 0.000 4.023 287 R HA -0.205 4.135 4.340 0.000 0.000 0.368 287 R C 0.544 176.818 176.300 -0.043 0.000 1.187 287 R CA 0.932 57.016 56.100 -0.027 0.000 1.089 287 R CB -2.036 28.253 30.300 -0.018 0.000 1.574 287 R HN 0.841 nan 8.270 nan 0.000 0.564 288 G N 0.066 108.830 108.800 -0.060 0.000 2.504 288 G HA2 0.374 4.334 3.960 0.000 0.000 0.288 288 G HA3 0.374 4.334 3.960 0.000 0.000 0.288 288 G C -0.308 174.499 174.900 -0.155 0.000 1.182 288 G CA 0.007 45.056 45.100 -0.085 0.000 0.894 288 G HN 0.078 nan 8.290 nan 0.000 0.521 289 S N -0.930 114.662 115.700 -0.181 0.000 2.610 289 S HA 0.511 4.981 4.470 0.000 0.000 0.273 289 S C 0.284 174.665 174.600 -0.364 0.000 1.274 289 S CA -0.523 57.483 58.200 -0.322 0.000 1.023 289 S CB 0.844 63.926 63.200 -0.197 0.000 0.962 289 S HN 0.455 nan 8.310 nan 0.000 0.523 290 S N 3.111 118.444 115.700 -0.612 0.000 2.474 290 S HA 0.268 4.739 4.470 0.000 0.000 0.320 290 S C 1.015 175.482 174.600 -0.221 0.000 1.067 290 S CA -0.830 57.146 58.200 -0.372 0.000 1.127 290 S CB 1.151 64.129 63.200 -0.371 0.000 0.971 290 S HN 0.593 nan 8.310 nan 0.000 0.472 291 V N 2.758 122.602 119.914 -0.117 0.000 2.446 291 V HA -0.074 4.046 4.120 0.000 0.000 0.244 291 V C 2.159 178.245 176.094 -0.014 0.000 1.039 291 V CA 1.314 63.583 62.300 -0.052 0.000 1.045 291 V CB -1.002 30.797 31.823 -0.039 0.000 0.681 291 V HN 0.722 nan 8.190 nan 0.000 0.459 292 T N 0.029 114.576 114.554 -0.012 0.000 3.155 292 T HA -0.055 4.295 4.350 0.000 0.000 0.264 292 T C 0.970 175.695 174.700 0.043 0.000 1.160 292 T CA 1.032 63.142 62.100 0.016 0.000 1.075 292 T CB -0.216 68.662 68.868 0.016 0.000 0.921 292 T HN 0.365 nan 8.240 nan 0.000 0.533 293 S N 0.854 116.581 115.700 0.045 0.000 2.461 293 S HA 0.270 4.740 4.470 0.000 0.000 0.322 293 S C 1.233 175.899 174.600 0.110 0.000 1.063 293 S CA -0.888 57.370 58.200 0.096 0.000 1.120 293 S CB 0.425 63.711 63.200 0.144 0.000 0.968 293 S HN 0.209 nan 8.310 nan 0.000 0.467 294 K N 3.091 123.543 120.400 0.087 0.000 2.057 294 K HA -0.101 4.219 4.320 0.000 0.000 0.207 294 K C 1.739 178.384 176.600 0.075 0.000 1.049 294 K CA 0.975 57.303 56.287 0.068 0.000 0.931 294 K CB -0.317 32.211 32.500 0.048 0.000 0.714 294 K HN 0.532 nan 8.250 nan 0.000 0.440 295 L N 0.682 121.951 121.223 0.077 0.000 1.994 295 L HA -0.214 4.126 4.340 0.000 0.000 0.208 295 L C 2.290 179.228 176.870 0.114 0.000 1.071 295 L CA 1.716 56.582 54.840 0.044 0.000 0.745 295 L CB -0.858 41.219 42.059 0.030 0.000 0.892 295 L HN 0.121 nan 8.230 nan 0.000 0.431 296 Y N 0.136 120.481 120.300 0.075 0.000 2.070 296 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 296 Y C 2.723 178.718 175.900 0.158 0.000 1.148 296 Y CA 2.139 60.334 58.100 0.158 0.000 1.125 296 Y CB -0.526 37.993 38.460 0.098 0.000 0.975 296 Y HN 0.313 nan 8.280 nan 0.000 0.492 297 Q N -0.200 119.826 119.800 0.377 0.000 2.133 297 Q HA -0.189 4.151 4.340 0.000 0.000 0.208 297 Q C 2.519 178.598 176.000 0.133 0.000 0.991 297 Q CA 1.596 57.533 55.803 0.224 0.000 0.867 297 Q CB -1.282 27.524 28.738 0.114 0.000 0.911 297 Q HN 0.661 nan 8.270 nan 0.000 0.417 298 G N 0.157 109.002 108.800 0.075 0.000 2.459 298 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 298 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 298 G C 1.621 176.482 174.900 -0.065 0.000 1.183 298 G CA 1.237 46.334 45.100 -0.005 0.000 0.776 298 G HN 0.305 nan 8.290 nan 0.000 0.552 299 V N 1.743 121.592 119.914 -0.109 0.000 2.407 299 V HA -0.140 3.980 4.120 0.000 0.000 0.248 299 V C 3.326 179.169 176.094 -0.419 0.000 1.055 299 V CA 1.912 64.013 62.300 -0.330 0.000 1.049 299 V CB -1.006 30.531 31.823 -0.477 0.000 0.662 299 V HN 0.495 nan 8.190 nan 0.000 0.455 300 A N 0.220 122.988 122.820 -0.085 0.000 1.908 300 A HA -0.266 4.054 4.320 0.000 0.000 0.218 300 A C 2.285 179.855 177.584 -0.024 0.000 1.181 300 A CA 2.105 54.195 52.037 0.088 0.000 0.627 300 A CB -0.462 18.758 19.000 0.367 0.000 0.818 300 A HN 0.574 nan 8.150 nan 0.000 0.445 301 K N -0.431 119.954 120.400 -0.025 0.000 2.283 301 K HA 0.039 4.359 4.320 0.000 0.000 0.202 301 K C 2.130 178.678 176.600 -0.087 0.000 1.048 301 K CA 0.858 57.122 56.287 -0.037 0.000 0.948 301 K CB -0.211 32.275 32.500 -0.022 0.000 0.742 301 K HN 0.476 nan 8.250 nan 0.000 0.458 302 A N 0.900 123.631 122.820 -0.148 0.000 1.861 302 A HA -0.027 4.293 4.320 0.000 0.000 0.212 302 A C 1.579 179.037 177.584 -0.209 0.000 1.199 302 A CA 1.086 53.021 52.037 -0.170 0.000 0.613 302 A CB -0.157 18.726 19.000 -0.196 0.000 0.846 302 A HN 0.240 nan 8.150 nan 0.000 0.446 303 T N -2.509 111.859 114.554 -0.310 0.000 2.897 303 T HA 0.467 4.817 4.350 0.000 0.000 0.278 303 T C 0.862 175.415 174.700 -0.245 0.000 0.981 303 T CA 0.418 62.313 62.100 -0.342 0.000 0.973 303 T CB 1.400 70.003 68.868 -0.441 0.000 1.092 303 T HN 0.184 nan 8.240 nan 0.000 0.543 304 T N 0.981 115.380 114.554 -0.258 0.000 2.987 304 T HA 0.225 4.575 4.350 0.000 0.000 0.248 304 T C 0.430 175.112 174.700 -0.031 0.000 0.997 304 T CA -0.202 61.827 62.100 -0.118 0.000 1.013 304 T CB 0.294 69.088 68.868 -0.122 0.000 1.077 304 T HN 0.432 nan 8.240 nan 0.000 0.483 305 Q N 1.594 121.358 119.800 -0.061 0.000 2.318 305 Q HA 0.384 4.724 4.340 0.000 0.000 0.222 305 Q C -2.537 173.586 176.000 0.205 0.000 1.003 305 Q CA -2.335 53.519 55.803 0.084 0.000 0.936 305 Q CB -0.316 28.520 28.738 0.163 0.000 1.204 305 Q HN 0.124 nan 8.270 nan 0.000 0.524 306 P HA 0.053 nan 4.420 nan 0.000 0.267 306 P C -0.843 176.616 177.300 0.265 0.000 1.201 306 P CA 0.408 63.611 63.100 0.172 0.000 0.775 306 P CB 0.279 32.031 31.700 0.086 0.000 0.854 307 F N -1.097 118.839 119.950 -0.024 0.000 3.410 307 F HA 0.690 5.217 4.527 0.000 0.000 0.328 307 F C -2.183 173.533 175.800 -0.140 0.000 1.099 307 F CA -0.956 57.001 58.000 -0.073 0.000 0.841 307 F CB 1.002 39.944 39.000 -0.098 0.000 1.527 307 F HN 0.241 nan 8.300 nan 0.000 0.478 308 D N 0.377 120.601 120.400 -0.293 0.000 2.663 308 D HA 0.731 5.371 4.640 0.000 0.000 0.233 308 D C -1.838 174.426 176.300 -0.060 0.000 1.240 308 D CA 0.154 53.877 54.000 -0.461 0.000 0.774 308 D CB 2.403 43.048 40.800 -0.258 0.000 1.443 308 D HN 1.260 nan 8.370 nan 0.000 0.441 309 A N 1.075 123.813 122.820 -0.136 0.000 2.540 309 A HA 0.737 5.057 4.320 0.000 0.000 0.297 309 A C -1.221 176.395 177.584 0.052 0.000 1.056 309 A CA -0.497 51.565 52.037 0.042 0.000 0.700 309 A CB 1.620 20.655 19.000 0.059 0.000 1.280 309 A HN 0.369 nan 8.150 nan 0.000 0.398 310 S N -0.396 115.378 115.700 0.124 0.000 2.638 310 S HA 0.820 5.290 4.470 0.000 0.000 0.274 310 S C -0.296 174.375 174.600 0.118 0.000 1.157 310 S CA -0.022 58.241 58.200 0.104 0.000 0.826 310 S CB 1.864 65.101 63.200 0.062 0.000 1.139 310 S HN 1.919 nan 8.310 nan 0.000 0.474 311 A N 1.318 124.161 122.820 0.039 0.000 2.309 311 A HA 0.649 4.969 4.320 0.000 0.000 0.290 311 A C -0.844 176.680 177.584 -0.099 0.000 1.206 311 A CA -0.176 51.823 52.037 -0.063 0.000 0.850 311 A CB -0.431 18.527 19.000 -0.070 0.000 1.118 311 A HN 0.611 nan 8.150 nan 0.000 0.523 312 F N 3.309 123.066 119.950 -0.321 0.000 2.404 312 F HA 0.579 5.106 4.527 0.000 0.000 0.345 312 F C -0.028 175.526 175.800 -0.409 0.000 1.110 312 F CA -0.523 57.322 58.000 -0.259 0.000 1.130 312 F CB 1.144 40.056 39.000 -0.147 0.000 1.129 312 F HN 0.607 nan 8.300 nan 0.000 0.500 313 N N 4.724 122.855 118.700 -0.949 0.000 2.542 313 N HA 0.488 5.228 4.740 0.000 0.000 0.288 313 N C -2.312 172.818 175.510 -0.634 0.000 1.115 313 N CA -0.438 52.251 53.050 -0.603 0.000 0.924 313 N CB 1.628 40.019 38.487 -0.161 0.000 1.526 313 N HN 0.315 nan 8.380 nan 0.000 0.515 314 V N 2.810 122.393 119.914 -0.553 0.000 2.540 314 V HA 0.596 4.716 4.120 0.000 0.000 0.302 314 V C -0.792 175.063 176.094 -0.398 0.000 1.035 314 V CA -0.954 61.047 62.300 -0.498 0.000 0.873 314 V CB 1.878 33.392 31.823 -0.515 0.000 0.992 314 V HN 0.642 nan 8.190 nan 0.000 0.428 315 N N 3.633 122.100 118.700 -0.387 0.000 2.479 315 N HA 0.502 5.242 4.740 0.000 0.000 0.261 315 N C -1.187 174.188 175.510 -0.224 0.000 0.979 315 N CA -0.269 52.649 53.050 -0.220 0.000 0.930 315 N CB 1.556 39.994 38.487 -0.082 0.000 1.172 315 N HN 0.635 nan 8.380 nan 0.000 0.499 316 Y N -0.009 120.338 120.300 0.078 0.000 2.488 316 Y HA 0.120 4.670 4.550 0.000 0.000 0.325 316 Y C 2.115 178.062 175.900 0.078 0.000 1.204 316 Y CA -0.822 57.326 58.100 0.080 0.000 1.229 316 Y CB 1.179 39.688 38.460 0.081 0.000 1.274 316 Y HN 0.484 nan 8.280 nan 0.000 0.493 317 S N 0.251 116.117 115.700 0.276 0.000 2.380 317 S HA -0.286 4.184 4.470 0.000 0.000 0.229 317 S C 0.892 175.580 174.600 0.148 0.000 1.050 317 S CA 2.137 60.440 58.200 0.171 0.000 1.100 317 S CB -0.509 62.775 63.200 0.140 0.000 0.984 317 S HN 0.857 nan 8.310 nan 0.000 0.434 318 D N 0.166 120.657 120.400 0.153 0.000 2.559 318 D HA 0.531 5.171 4.640 0.000 0.000 0.234 318 D C 0.201 176.612 176.300 0.185 0.000 1.226 318 D CA 0.039 54.121 54.000 0.138 0.000 0.830 318 D CB 0.304 41.164 40.800 0.100 0.000 1.028 318 D HN 0.386 nan 8.370 nan 0.000 0.492 319 S N -1.988 113.856 115.700 0.241 0.000 2.655 319 S HA 0.656 5.126 4.470 0.000 0.000 0.263 319 S C -1.422 173.366 174.600 0.312 0.000 1.091 319 S CA -0.246 58.129 58.200 0.291 0.000 0.865 319 S CB 0.914 64.368 63.200 0.422 0.000 1.146 319 S HN 0.626 nan 8.310 nan 0.000 0.482 320 G N 0.171 109.150 108.800 0.299 0.000 2.576 320 G HA2 0.602 4.562 3.960 0.000 0.000 0.290 320 G HA3 0.602 4.562 3.960 0.000 0.000 0.290 320 G C -2.380 172.629 174.900 0.182 0.000 1.442 320 G CA -0.597 44.609 45.100 0.176 0.000 0.792 320 G HN 0.776 nan 8.290 nan 0.000 0.491 321 L N -0.023 121.258 121.223 0.097 0.000 2.381 321 L HA 0.785 5.125 4.340 0.000 0.000 0.268 321 L C -1.357 175.573 176.870 0.101 0.000 0.997 321 L CA -0.833 54.106 54.840 0.166 0.000 0.818 321 L CB 2.510 44.751 42.059 0.304 0.000 1.310 321 L HN 0.572 nan 8.230 nan 0.000 0.416 322 F N 0.967 120.924 119.950 0.012 0.000 2.591 322 F HA 0.834 5.361 4.527 0.000 0.000 0.309 322 F C 0.026 175.992 175.800 0.276 0.000 1.098 322 F CA 0.153 58.154 58.000 0.001 0.000 0.937 322 F CB 2.248 41.026 39.000 -0.371 0.000 1.250 322 F HN 0.543 nan 8.300 nan 0.000 0.447 323 G N 2.894 111.422 108.800 -0.453 0.000 2.455 323 G HA2 0.345 4.305 3.960 0.000 0.000 0.223 323 G HA3 0.345 4.305 3.960 0.000 0.000 0.223 323 G C -1.979 172.753 174.900 -0.280 0.000 1.226 323 G CA -0.154 44.842 45.100 -0.173 0.000 0.948 323 G HN 1.021 nan 8.290 nan 0.000 0.478 324 F N -1.226 118.659 119.950 -0.107 0.000 2.620 324 F HA 0.895 5.422 4.527 0.000 0.000 0.320 324 F C -1.072 174.743 175.800 0.025 0.000 1.069 324 F CA -1.916 56.051 58.000 -0.055 0.000 0.953 324 F CB 1.907 40.855 39.000 -0.086 0.000 1.322 324 F HN 0.653 nan 8.300 nan 0.000 0.479 325 Y N 0.978 121.367 120.300 0.148 0.000 2.406 325 Y HA 0.605 5.155 4.550 0.000 0.000 0.340 325 Y C -0.932 175.031 175.900 0.105 0.000 0.975 325 Y CA -0.624 57.490 58.100 0.023 0.000 1.056 325 Y CB 1.986 40.425 38.460 -0.034 0.000 1.210 325 Y HN 0.995 nan 8.280 nan 0.000 0.448 326 T N 4.986 119.685 114.554 0.241 0.000 2.886 326 T HA 0.663 5.013 4.350 0.000 0.000 0.292 326 T C -1.070 173.678 174.700 0.080 0.000 1.012 326 T CA -0.680 61.545 62.100 0.209 0.000 0.982 326 T CB 1.159 70.122 68.868 0.159 0.000 1.018 326 T HN 0.520 nan 8.240 nan 0.000 0.451 327 I N 3.292 123.886 120.570 0.041 0.000 2.406 327 I HA 0.664 4.834 4.170 0.000 0.000 0.290 327 I C 0.116 176.253 176.117 0.032 0.000 0.999 327 I CA -0.663 60.561 61.300 -0.127 0.000 1.124 327 I CB 1.864 39.682 38.000 -0.302 0.000 1.289 327 I HN 1.012 nan 8.210 nan 0.000 0.441 328 S N 3.905 119.640 115.700 0.058 0.000 2.588 328 S HA 0.410 4.880 4.470 0.000 0.000 0.269 328 S C -1.113 173.555 174.600 0.112 0.000 1.157 328 S CA -1.156 57.118 58.200 0.124 0.000 0.824 328 S CB 1.526 64.795 63.200 0.115 0.000 1.126 328 S HN 0.584 nan 8.310 nan 0.000 0.464 329 Q N 0.699 120.581 119.800 0.136 0.000 2.395 329 Q HA 0.387 4.727 4.340 0.000 0.000 0.271 329 Q C 1.636 177.654 176.000 0.029 0.000 1.026 329 Q CA 0.189 56.044 55.803 0.087 0.000 0.900 329 Q CB 0.618 29.420 28.738 0.106 0.000 1.266 329 Q HN 0.881 nan 8.270 nan 0.000 0.430 330 A N 2.923 125.743 122.820 -0.000 0.000 1.859 330 A HA -0.317 4.004 4.320 0.000 0.000 0.218 330 A C 2.139 179.677 177.584 -0.078 0.000 1.242 330 A CA 2.392 54.416 52.037 -0.022 0.000 0.661 330 A CB -1.454 17.534 19.000 -0.021 0.000 0.842 330 A HN 0.950 nan 8.150 nan 0.000 0.455 331 A N -1.829 120.886 122.820 -0.174 0.000 2.054 331 A HA -0.253 4.067 4.320 0.000 0.000 0.223 331 A C 1.718 179.150 177.584 -0.253 0.000 1.169 331 A CA 2.055 53.937 52.037 -0.259 0.000 0.655 331 A CB -0.888 17.875 19.000 -0.396 0.000 0.812 331 A HN 0.733 nan 8.150 nan 0.000 0.462 332 H N -1.612 117.456 119.070 -0.003 0.000 2.520 332 H HA 0.473 5.029 4.556 0.000 0.000 0.284 332 H C 2.001 177.308 175.328 -0.035 0.000 1.037 332 H CA 0.363 56.397 56.048 -0.023 0.000 1.168 332 H CB -0.362 29.381 29.762 -0.030 0.000 1.497 332 H HN 0.532 nan 8.280 nan 0.000 0.547 333 A N 0.830 123.684 122.820 0.056 0.000 1.930 333 A HA -0.049 4.271 4.320 0.000 0.000 0.217 333 A C 2.657 180.251 177.584 0.017 0.000 1.175 333 A CA 1.374 53.428 52.037 0.029 0.000 0.627 333 A CB -0.900 18.106 19.000 0.010 0.000 0.815 333 A HN 0.433 nan 8.150 nan 0.000 0.443 334 G N 0.829 109.642 108.800 0.023 0.000 2.587 334 G HA2 -0.315 3.646 3.960 0.000 0.000 0.217 334 G HA3 -0.315 3.646 3.960 0.000 0.000 0.217 334 G C 1.372 176.275 174.900 0.006 0.000 1.240 334 G CA 1.225 46.338 45.100 0.022 0.000 0.794 334 G HN 0.757 nan 8.290 nan 0.000 0.580 335 E N 0.171 120.374 120.200 0.005 0.000 2.130 335 E HA -0.134 4.216 4.350 0.000 0.000 0.196 335 E C 2.474 179.017 176.600 -0.095 0.000 0.998 335 E CA 1.405 57.782 56.400 -0.039 0.000 0.806 335 E CB -0.546 29.128 29.700 -0.043 0.000 0.738 335 E HN 0.309 nan 8.360 nan 0.000 0.459 336 V N 1.620 121.473 119.914 -0.102 0.000 2.358 336 V HA -0.222 3.898 4.120 0.000 0.000 0.246 336 V C 2.354 178.361 176.094 -0.144 0.000 1.047 336 V CA 1.582 63.776 62.300 -0.177 0.000 1.035 336 V CB -0.438 31.292 31.823 -0.155 0.000 0.658 336 V HN 0.286 nan 8.190 nan 0.000 0.452 337 I N -0.813 119.722 120.570 -0.057 0.000 2.286 337 I HA -0.134 4.036 4.170 0.000 0.000 0.245 337 I C 2.787 178.862 176.117 -0.069 0.000 1.104 337 I CA 0.968 62.264 61.300 -0.007 0.000 1.397 337 I CB -0.479 37.583 38.000 0.103 0.000 1.072 337 I HN 0.209 nan 8.210 nan 0.000 0.417 338 R N 1.361 121.835 120.500 -0.043 0.000 2.097 338 R HA -0.183 4.158 4.340 0.000 0.000 0.236 338 R C 2.423 178.659 176.300 -0.107 0.000 1.135 338 R CA 1.773 57.849 56.100 -0.040 0.000 0.934 338 R CB -1.200 29.084 30.300 -0.027 0.000 0.846 338 R HN 0.378 nan 8.270 nan 0.000 0.431 339 A N 1.634 124.369 122.820 -0.142 0.000 1.884 339 A HA -0.220 4.100 4.320 0.000 0.000 0.219 339 A C 2.497 179.935 177.584 -0.243 0.000 1.197 339 A CA 2.578 54.512 52.037 -0.173 0.000 0.637 339 A CB -0.901 17.977 19.000 -0.203 0.000 0.827 339 A HN 0.445 nan 8.150 nan 0.000 0.450 340 A N -1.484 121.104 122.820 -0.387 0.000 1.978 340 A HA -0.152 4.168 4.320 0.000 0.000 0.220 340 A C 2.235 179.410 177.584 -0.682 0.000 1.170 340 A CA 2.031 53.665 52.037 -0.672 0.000 0.636 340 A CB -0.464 17.812 19.000 -1.206 0.000 0.810 340 A HN 0.499 nan 8.150 nan 0.000 0.448 341 M N -0.260 119.075 119.600 -0.441 0.000 2.081 341 M HA -0.101 4.379 4.480 0.000 0.000 0.261 341 M C 1.821 178.096 176.300 -0.041 0.000 1.075 341 M CA 1.293 56.529 55.300 -0.106 0.000 1.133 341 M CB -1.406 31.240 32.600 0.078 0.000 1.330 341 M HN 0.425 nan 8.290 nan 0.000 0.414 342 N N 0.519 119.188 118.700 -0.052 0.000 2.132 342 N HA -0.202 4.538 4.740 0.000 0.000 0.191 342 N C 1.612 177.103 175.510 -0.031 0.000 1.015 342 N CA 1.190 54.225 53.050 -0.024 0.000 0.864 342 N CB -0.463 38.002 38.487 -0.036 0.000 1.006 342 N HN 0.407 nan 8.380 nan 0.000 0.430 343 Q N 0.277 120.030 119.800 -0.077 0.000 2.364 343 Q HA 0.054 4.394 4.340 0.000 0.000 0.207 343 Q C 2.144 178.121 176.000 -0.040 0.000 0.970 343 Q CA 0.364 56.130 55.803 -0.062 0.000 0.888 343 Q CB 0.009 28.692 28.738 -0.091 0.000 0.951 343 Q HN 0.468 nan 8.270 nan 0.000 0.469 344 L N -0.272 120.926 121.223 -0.041 0.000 2.168 344 L HA -0.092 4.249 4.340 0.000 0.000 0.203 344 L C 2.223 179.136 176.870 0.072 0.000 1.078 344 L CA 0.733 55.573 54.840 -0.001 0.000 0.780 344 L CB -0.030 41.998 42.059 -0.051 0.000 0.939 344 L HN 0.081 nan 8.230 nan 0.000 0.451 345 K N 0.102 120.555 120.400 0.089 0.000 2.001 345 K HA -0.123 4.197 4.320 0.000 0.000 0.208 345 K C 2.120 178.753 176.600 0.055 0.000 1.048 345 K CA 1.351 57.694 56.287 0.095 0.000 0.932 345 K CB -0.326 32.225 32.500 0.086 0.000 0.715 345 K HN 0.237 nan 8.250 nan 0.000 0.437 346 A N 1.441 124.280 122.820 0.033 0.000 2.032 346 A HA -0.198 4.122 4.320 0.000 0.000 0.221 346 A C 2.254 179.851 177.584 0.021 0.000 1.165 346 A CA 2.063 54.112 52.037 0.020 0.000 0.645 346 A CB -0.600 18.404 19.000 0.008 0.000 0.807 346 A HN 0.389 nan 8.150 nan 0.000 0.453 347 A N -0.917 121.919 122.820 0.027 0.000 1.984 347 A HA 0.449 4.770 4.320 0.000 0.000 0.214 347 A C 2.307 179.905 177.584 0.024 0.000 1.173 347 A CA 1.243 53.295 52.037 0.025 0.000 0.673 347 A CB -0.623 18.395 19.000 0.030 0.000 0.830 347 A HN 0.987 nan 8.150 nan 0.000 0.453 348 A N -0.469 122.376 122.820 0.041 0.000 2.119 348 A HA -0.025 4.295 4.320 0.000 0.000 0.217 348 A C 1.448 179.047 177.584 0.025 0.000 1.153 348 A CA 0.795 52.856 52.037 0.040 0.000 0.692 348 A CB -0.284 18.764 19.000 0.079 0.000 0.799 348 A HN 0.602 nan 8.150 nan 0.000 0.458 349 Q N -0.674 119.141 119.800 0.024 0.000 2.526 349 Q HA 0.380 4.720 4.340 0.000 0.000 0.353 349 Q C 0.704 176.709 176.000 0.008 0.000 0.977 349 Q CA 0.038 55.851 55.803 0.016 0.000 1.027 349 Q CB -0.031 28.718 28.738 0.019 0.000 1.272 349 Q HN 0.664 nan 8.270 nan 0.000 0.420 350 G N 0.554 109.356 108.800 0.003 0.000 2.203 350 G HA2 -0.306 3.654 3.960 0.000 0.000 0.263 350 G HA3 -0.306 3.654 3.960 0.000 0.000 0.263 350 G C 0.529 175.430 174.900 0.002 0.000 1.012 350 G CA 0.100 45.199 45.100 -0.001 0.000 0.749 350 G HN 0.603 nan 8.290 nan 0.000 0.512 351 G N -0.724 108.079 108.800 0.006 0.000 3.414 351 G HA2 0.466 4.427 3.960 0.000 0.000 0.258 351 G HA3 0.466 4.427 3.960 0.000 0.000 0.258 351 G C 0.022 174.927 174.900 0.008 0.000 1.348 351 G CA 0.440 45.545 45.100 0.007 0.000 1.319 351 G HN 0.960 nan 8.290 nan 0.000 0.555 352 V N 0.737 120.653 119.914 0.004 0.000 2.409 352 V HA 0.259 4.379 4.120 0.000 0.000 0.290 352 V C 0.390 176.485 176.094 0.002 0.000 1.017 352 V CA -0.736 61.567 62.300 0.005 0.000 0.841 352 V CB 1.321 33.144 31.823 0.000 0.000 1.003 352 V HN 0.212 nan 8.190 nan 0.000 0.426 353 T N 2.870 117.427 114.554 0.005 0.000 2.856 353 T HA 0.038 4.389 4.350 0.000 0.000 0.306 353 T C 1.232 175.932 174.700 0.000 0.000 1.062 353 T CA 0.134 62.236 62.100 0.002 0.000 1.083 353 T CB 1.049 69.920 68.868 0.004 0.000 0.984 353 T HN 0.869 nan 8.240 nan 0.000 0.542 354 E N 0.930 121.128 120.200 -0.002 0.000 2.268 354 E HA -0.108 4.242 4.350 0.000 0.000 0.195 354 E C 1.947 178.545 176.600 -0.003 0.000 0.995 354 E CA 1.164 57.561 56.400 -0.005 0.000 0.836 354 E CB 0.037 29.734 29.700 -0.006 0.000 0.763 354 E HN 0.758 nan 8.360 nan 0.000 0.491 355 E N -0.123 120.077 120.200 -0.000 0.000 2.076 355 E HA -0.157 4.193 4.350 0.000 0.000 0.190 355 E C 1.059 177.662 176.600 0.005 0.000 0.979 355 E CA 1.067 57.467 56.400 0.001 0.000 0.807 355 E CB 0.005 29.705 29.700 0.001 0.000 0.761 355 E HN 0.233 nan 8.360 nan 0.000 0.454 356 D N 0.621 121.027 120.400 0.009 0.000 2.133 356 D HA -0.169 4.472 4.640 0.000 0.000 0.195 356 D C 2.067 178.379 176.300 0.020 0.000 0.997 356 D CA 1.171 55.182 54.000 0.018 0.000 0.840 356 D CB -0.269 40.544 40.800 0.022 0.000 0.947 356 D HN 0.132 nan 8.370 nan 0.000 0.452 357 V N 1.035 120.956 119.914 0.012 0.000 2.594 357 V HA -0.201 3.920 4.120 0.000 0.000 0.253 357 V C 2.409 178.505 176.094 0.004 0.000 1.069 357 V CA 1.791 64.096 62.300 0.009 0.000 1.082 357 V CB -0.696 31.126 31.823 -0.003 0.000 0.680 357 V HN 0.238 nan 8.190 nan 0.000 0.469 358 T N -0.528 114.026 114.554 0.000 0.000 2.809 358 T HA -0.116 4.234 4.350 0.000 0.000 0.260 358 T C 1.930 176.625 174.700 -0.008 0.000 1.039 358 T CA 1.125 63.222 62.100 -0.005 0.000 1.141 358 T CB -0.125 68.739 68.868 -0.006 0.000 0.869 358 T HN 0.450 nan 8.240 nan 0.000 0.437 359 K N 1.452 121.851 120.400 -0.002 0.000 2.001 359 K HA -0.080 4.240 4.320 0.000 0.000 0.214 359 K C 2.721 179.312 176.600 -0.015 0.000 1.050 359 K CA 1.357 57.641 56.287 -0.006 0.000 0.934 359 K CB -0.534 31.970 32.500 0.006 0.000 0.718 359 K HN 0.271 nan 8.250 nan 0.000 0.443 360 A N 2.212 125.039 122.820 0.010 0.000 1.870 360 A HA -0.306 4.014 4.320 0.000 0.000 0.219 360 A C 1.977 179.529 177.584 -0.053 0.000 1.224 360 A CA 2.380 54.430 52.037 0.023 0.000 0.650 360 A CB -0.759 18.297 19.000 0.094 0.000 0.836 360 A HN 0.305 nan 8.150 nan 0.000 0.454 361 K N -0.508 119.879 120.400 -0.021 0.000 2.207 361 K HA -0.235 4.085 4.320 0.000 0.000 0.208 361 K C 1.733 178.294 176.600 -0.064 0.000 1.046 361 K CA 1.702 57.968 56.287 -0.035 0.000 0.929 361 K CB -0.349 32.139 32.500 -0.021 0.000 0.720 361 K HN 0.581 nan 8.250 nan 0.000 0.463 362 N N 0.803 119.463 118.700 -0.067 0.000 2.148 362 N HA -0.111 4.629 4.740 0.000 0.000 0.186 362 N C 1.792 177.236 175.510 -0.111 0.000 1.031 362 N CA 1.054 54.066 53.050 -0.064 0.000 0.848 362 N CB -0.296 38.165 38.487 -0.043 0.000 1.005 362 N HN 0.311 nan 8.380 nan 0.000 0.427 363 Q N 0.494 120.193 119.800 -0.168 0.000 2.152 363 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 363 Q C 1.965 177.709 176.000 -0.427 0.000 0.985 363 Q CA 1.027 56.675 55.803 -0.259 0.000 0.863 363 Q CB -0.203 28.369 28.738 -0.277 0.000 0.904 363 Q HN 0.184 nan 8.270 nan 0.000 0.422 364 L N 1.235 122.129 121.223 -0.548 0.000 2.027 364 L HA -0.147 4.193 4.340 0.000 0.000 0.206 364 L C 1.827 178.666 176.870 -0.051 0.000 1.074 364 L CA 1.853 56.476 54.840 -0.363 0.000 0.745 364 L CB -0.295 41.678 42.059 -0.143 0.000 0.898 364 L HN -0.003 nan 8.230 nan 0.000 0.433 365 K N -0.630 119.748 120.400 -0.035 0.000 2.097 365 K HA -0.067 4.254 4.320 0.000 0.000 0.205 365 K C 2.049 178.709 176.600 0.100 0.000 1.050 365 K CA 1.198 57.519 56.287 0.057 0.000 0.938 365 K CB -0.328 32.184 32.500 0.021 0.000 0.718 365 K HN 0.448 nan 8.250 nan 0.000 0.442 366 A N 1.087 123.918 122.820 0.018 0.000 1.841 366 A HA -0.151 4.169 4.320 0.000 0.000 0.214 366 A C 2.303 179.899 177.584 0.021 0.000 1.195 366 A CA 1.999 54.043 52.037 0.012 0.000 0.611 366 A CB -1.147 17.841 19.000 -0.020 0.000 0.835 366 A HN 0.204 nan 8.150 nan 0.000 0.443 367 T N -1.257 113.305 114.554 0.014 0.000 2.653 367 T HA -0.248 4.103 4.350 0.000 0.000 0.268 367 T C 1.760 176.499 174.700 0.064 0.000 1.035 367 T CA 2.084 64.212 62.100 0.046 0.000 1.154 367 T CB -0.517 68.407 68.868 0.093 0.000 0.862 367 T HN 0.575 nan 8.240 nan 0.000 0.441 368 Y N 1.533 121.837 120.300 0.007 0.000 2.097 368 Y HA -0.127 4.423 4.550 0.000 0.000 0.282 368 Y C 2.082 177.986 175.900 0.008 0.000 1.152 368 Y CA 1.284 59.391 58.100 0.012 0.000 1.136 368 Y CB -0.665 37.800 38.460 0.007 0.000 0.975 368 Y HN 0.150 nan 8.280 nan 0.000 0.498 369 L N -0.409 120.725 121.223 -0.149 0.000 2.131 369 L HA -0.273 4.067 4.340 0.000 0.000 0.210 369 L C 2.491 179.257 176.870 -0.173 0.000 1.092 369 L CA 1.673 56.389 54.840 -0.207 0.000 0.759 369 L CB -0.424 41.632 42.059 -0.006 0.000 0.903 369 L HN 0.403 nan 8.230 nan 0.000 0.435 370 M N -1.426 118.111 119.600 -0.105 0.000 2.200 370 M HA -0.091 4.389 4.480 0.000 0.000 0.265 370 M C 1.550 177.793 176.300 -0.095 0.000 1.066 370 M CA 0.989 56.244 55.300 -0.074 0.000 1.127 370 M CB -0.147 32.432 32.600 -0.036 0.000 1.379 370 M HN 0.017 nan 8.290 nan 0.000 0.420 371 S N 0.675 116.303 115.700 -0.120 0.000 3.120 371 S HA 0.126 4.596 4.470 0.000 0.000 0.259 371 S C 0.754 175.257 174.600 -0.161 0.000 1.191 371 S CA 0.107 58.239 58.200 -0.113 0.000 1.257 371 S CB -0.461 62.690 63.200 -0.081 0.000 0.964 371 S HN 0.263 nan 8.310 nan 0.000 0.473 372 V N -0.762 119.059 119.914 -0.154 0.000 3.777 372 V HA 0.095 4.215 4.120 0.000 0.000 0.285 372 V C 1.158 177.203 176.094 -0.082 0.000 1.668 372 V CA -0.294 61.923 62.300 -0.139 0.000 1.178 372 V CB 0.028 31.716 31.823 -0.224 0.000 0.962 372 V HN 0.350 nan 8.190 nan 0.000 0.411 373 E N 0.750 120.910 120.200 -0.067 0.000 2.216 373 E HA -0.004 4.346 4.350 0.000 0.000 0.192 373 E C 0.579 177.164 176.600 -0.025 0.000 0.988 373 E CA 0.838 57.215 56.400 -0.039 0.000 0.834 373 E CB 0.082 29.763 29.700 -0.033 0.000 0.772 373 E HN 0.490 nan 8.360 nan 0.000 0.479 374 T N 1.111 115.646 114.554 -0.030 0.000 2.870 374 T HA 0.193 4.543 4.350 0.000 0.000 0.300 374 T C 1.156 175.848 174.700 -0.014 0.000 0.989 374 T CA 0.117 62.205 62.100 -0.021 0.000 1.139 374 T CB 1.493 70.344 68.868 -0.030 0.000 0.920 374 T HN 0.138 nan 8.240 nan 0.000 0.537 375 A N 2.948 125.767 122.820 -0.002 0.000 1.917 375 A HA -0.194 4.126 4.320 0.000 0.000 0.219 375 A C 2.271 179.859 177.584 0.008 0.000 1.182 375 A CA 1.764 53.807 52.037 0.009 0.000 0.633 375 A CB -0.679 18.332 19.000 0.020 0.000 0.819 375 A HN 0.898 nan 8.150 nan 0.000 0.448 376 Q N -0.706 119.088 119.800 -0.010 0.000 2.020 376 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 376 Q C 2.165 178.141 176.000 -0.039 0.000 0.982 376 Q CA 1.856 57.635 55.803 -0.041 0.000 0.838 376 Q CB -0.611 28.073 28.738 -0.091 0.000 0.899 376 Q HN 0.567 nan 8.270 nan 0.000 0.423 377 G N 1.497 110.272 108.800 -0.043 0.000 2.469 377 G HA2 -0.292 3.668 3.960 0.000 0.000 0.219 377 G HA3 -0.292 3.668 3.960 0.000 0.000 0.219 377 G C 1.376 176.263 174.900 -0.021 0.000 1.150 377 G CA 1.052 46.128 45.100 -0.041 0.000 0.763 377 G HN 0.391 nan 8.290 nan 0.000 0.561 378 L N 0.038 121.253 121.223 -0.013 0.000 2.005 378 L HA 0.120 4.460 4.340 0.000 0.000 0.207 378 L C 2.592 179.482 176.870 0.033 0.000 1.072 378 L CA 1.722 56.562 54.840 0.001 0.000 0.744 378 L CB -0.683 41.376 42.059 0.001 0.000 0.895 378 L HN 0.192 nan 8.230 nan 0.000 0.433 379 L N 0.206 121.463 121.223 0.057 0.000 2.043 379 L HA -0.270 4.070 4.340 0.000 0.000 0.212 379 L C 2.290 179.266 176.870 0.176 0.000 1.075 379 L CA 2.289 57.199 54.840 0.116 0.000 0.752 379 L CB -0.926 41.235 42.059 0.170 0.000 0.891 379 L HN 0.589 nan 8.230 nan 0.000 0.432 380 N N -0.588 118.222 118.700 0.183 0.000 2.043 380 N HA -0.276 4.464 4.740 0.000 0.000 0.193 380 N C 1.880 177.457 175.510 0.112 0.000 1.037 380 N CA 1.632 54.826 53.050 0.241 0.000 0.851 380 N CB -0.262 38.289 38.487 0.107 0.000 1.027 380 N HN 0.439 nan 8.380 nan 0.000 0.422 381 E N 0.549 120.785 120.200 0.060 0.000 2.033 381 E HA -0.166 4.184 4.350 0.000 0.000 0.199 381 E C 1.984 178.597 176.600 0.021 0.000 1.011 381 E CA 1.686 58.118 56.400 0.054 0.000 0.815 381 E CB -0.615 29.118 29.700 0.056 0.000 0.755 381 E HN 0.545 nan 8.360 nan 0.000 0.451 382 I N 0.014 120.593 120.570 0.015 0.000 2.069 382 I HA -0.286 3.884 4.170 0.000 0.000 0.237 382 I C 2.451 178.457 176.117 -0.186 0.000 1.053 382 I CA 1.575 62.871 61.300 -0.006 0.000 1.311 382 I CB -0.974 37.018 38.000 -0.013 0.000 1.030 382 I HN 0.333 nan 8.210 nan 0.000 0.398 383 G N -0.015 108.501 108.800 -0.473 0.000 2.469 383 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 383 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 383 G C 1.742 176.212 174.900 -0.717 0.000 1.136 383 G CA 1.145 45.571 45.100 -1.123 0.000 0.759 383 G HN 0.391 nan 8.290 nan 0.000 0.562 384 S N 0.445 115.950 115.700 -0.325 0.000 2.370 384 S HA -0.107 4.363 4.470 0.000 0.000 0.226 384 S C 2.171 176.742 174.600 -0.049 0.000 1.033 384 S CA 1.531 59.696 58.200 -0.058 0.000 1.011 384 S CB -0.199 63.028 63.200 0.045 0.000 0.852 384 S HN 0.628 nan 8.310 nan 0.000 0.457 385 E N 1.343 121.505 120.200 -0.063 0.000 2.016 385 E HA -0.012 4.338 4.350 0.000 0.000 0.190 385 E C 2.356 178.933 176.600 -0.038 0.000 0.985 385 E CA 0.884 57.264 56.400 -0.033 0.000 0.802 385 E CB -0.312 29.372 29.700 -0.027 0.000 0.762 385 E HN 0.477 nan 8.360 nan 0.000 0.448 386 A N 0.818 123.597 122.820 -0.068 0.000 2.194 386 A HA -0.171 4.149 4.320 0.000 0.000 0.220 386 A C 1.987 179.544 177.584 -0.044 0.000 1.162 386 A CA 1.055 53.058 52.037 -0.056 0.000 0.674 386 A CB -0.291 18.657 19.000 -0.087 0.000 0.789 386 A HN 0.186 nan 8.150 nan 0.000 0.470 387 L N -2.033 119.164 121.223 -0.044 0.000 2.347 387 L HA 0.356 4.696 4.340 0.000 0.000 0.196 387 L C 1.343 178.234 176.870 0.035 0.000 1.072 387 L CA 0.930 55.775 54.840 0.009 0.000 0.817 387 L CB 0.090 42.176 42.059 0.044 0.000 1.029 387 L HN 0.247 nan 8.230 nan 0.000 0.478 388 L N -0.803 120.442 121.223 0.038 0.000 2.851 388 L HA 0.243 4.583 4.340 0.000 0.000 0.237 388 L C 0.849 177.740 176.870 0.034 0.000 1.257 388 L CA 0.479 55.349 54.840 0.051 0.000 1.061 388 L CB -0.085 42.014 42.059 0.066 0.000 1.372 388 L HN 0.391 nan 8.230 nan 0.000 0.493 389 S N -1.185 114.529 115.700 0.023 0.000 6.311 389 S HA 0.264 4.734 4.470 0.000 0.000 0.100 389 S C 0.872 175.481 174.600 0.015 0.000 1.196 389 S CA 0.702 58.912 58.200 0.016 0.000 1.375 389 S CB 0.100 63.304 63.200 0.007 0.000 1.972 389 S HN 0.286 nan 8.310 nan 0.000 0.578 390 G N 1.085 109.891 108.800 0.011 0.000 2.164 390 G HA2 0.019 3.980 3.960 0.000 0.000 0.154 390 G HA3 0.019 3.980 3.960 0.000 0.000 0.154 390 G C 0.174 175.085 174.900 0.019 0.000 1.014 390 G CA 0.745 45.854 45.100 0.014 0.000 0.683 390 G HN 1.667 nan 8.290 nan 0.000 0.500 391 T N -2.792 111.775 114.554 0.021 0.000 2.841 391 T HA 0.664 5.014 4.350 0.000 0.000 0.296 391 T C -1.089 173.649 174.700 0.064 0.000 1.166 391 T CA -0.508 61.614 62.100 0.038 0.000 1.007 391 T CB 2.467 71.348 68.868 0.022 0.000 1.253 391 T HN 0.584 nan 8.240 nan 0.000 0.511 392 H N 1.055 120.118 119.070 -0.011 0.000 2.725 392 H HA 0.338 4.894 4.556 0.000 0.000 0.283 392 H C -0.710 174.619 175.328 0.002 0.000 1.110 392 H CA -0.338 55.707 56.048 -0.005 0.000 1.289 392 H CB 0.444 30.203 29.762 -0.006 0.000 1.400 392 H HN 0.733 nan 8.280 nan 0.000 0.493 393 T N 4.246 118.602 114.554 -0.331 0.000 2.765 393 T HA 0.169 4.519 4.350 0.000 0.000 0.284 393 T C 0.760 175.255 174.700 -0.342 0.000 0.946 393 T CA 0.144 62.099 62.100 -0.243 0.000 1.185 393 T CB -0.102 68.652 68.868 -0.190 0.000 0.887 393 T HN 0.668 nan 8.240 nan 0.000 0.532 394 A N 7.368 130.137 122.820 -0.085 0.000 2.547 394 A HA 0.237 4.557 4.320 0.000 0.000 0.233 394 A C -0.199 177.387 177.584 0.002 0.000 1.067 394 A CA -1.104 50.962 52.037 0.048 0.000 0.763 394 A CB 0.022 19.072 19.000 0.082 0.000 1.007 394 A HN 0.563 nan 8.150 nan 0.000 0.506 395 P HA -0.199 nan 4.420 nan 0.000 0.218 395 P C 1.443 178.762 177.300 0.031 0.000 1.148 395 P CA 2.021 65.184 63.100 0.104 0.000 0.822 395 P CB -0.136 31.681 31.700 0.194 0.000 0.784 396 S N -0.554 115.165 115.700 0.031 0.000 2.402 396 S HA -0.079 4.391 4.470 0.000 0.000 0.229 396 S C 2.090 176.677 174.600 -0.021 0.000 1.021 396 S CA 1.206 59.412 58.200 0.009 0.000 0.974 396 S CB -1.716 61.494 63.200 0.017 0.000 0.800 396 S HN -0.005 nan 8.310 nan 0.000 0.484 397 V N 1.580 121.475 119.914 -0.031 0.000 2.307 397 V HA -0.078 4.042 4.120 0.000 0.000 0.245 397 V C 2.609 178.651 176.094 -0.086 0.000 1.045 397 V CA 1.480 63.750 62.300 -0.050 0.000 1.024 397 V CB -0.917 30.876 31.823 -0.050 0.000 0.651 397 V HN 0.508 nan 8.190 nan 0.000 0.449 398 V N 0.327 120.161 119.914 -0.134 0.000 2.490 398 V HA -0.205 3.915 4.120 0.000 0.000 0.250 398 V C 2.490 178.469 176.094 -0.192 0.000 1.061 398 V CA 2.169 64.340 62.300 -0.215 0.000 1.064 398 V CB -0.348 31.233 31.823 -0.404 0.000 0.670 398 V HN 0.489 nan 8.190 nan 0.000 0.461 399 A N -0.709 122.030 122.820 -0.136 0.000 1.854 399 A HA -0.252 4.068 4.320 0.000 0.000 0.214 399 A C 2.241 179.785 177.584 -0.065 0.000 1.192 399 A CA 1.845 53.829 52.037 -0.089 0.000 0.611 399 A CB -0.775 18.201 19.000 -0.040 0.000 0.832 399 A HN 0.677 nan 8.150 nan 0.000 0.442 400 Q N -0.461 119.306 119.800 -0.054 0.000 2.112 400 Q HA -0.250 4.090 4.340 0.000 0.000 0.206 400 Q C 1.675 177.648 176.000 -0.046 0.000 0.987 400 Q CA 1.870 57.648 55.803 -0.041 0.000 0.858 400 Q CB -0.079 28.639 28.738 -0.034 0.000 0.905 400 Q HN 0.441 nan 8.270 nan 0.000 0.420 401 K N 0.533 120.896 120.400 -0.061 0.000 2.103 401 K HA -0.089 4.231 4.320 0.000 0.000 0.204 401 K C 2.100 178.666 176.600 -0.056 0.000 1.052 401 K CA 0.582 56.834 56.287 -0.059 0.000 0.945 401 K CB -0.437 32.021 32.500 -0.071 0.000 0.722 401 K HN 0.354 nan 8.250 nan 0.000 0.443 402 I N 3.048 123.578 120.570 -0.068 0.000 2.110 402 I HA -0.261 3.910 4.170 0.000 0.000 0.236 402 I C 1.120 177.215 176.117 -0.037 0.000 1.068 402 I CA 2.027 63.295 61.300 -0.055 0.000 1.333 402 I CB -0.840 37.118 38.000 -0.070 0.000 1.054 402 I HN 0.154 nan 8.210 nan 0.000 0.402 403 D N 0.512 120.891 120.400 -0.036 0.000 2.263 403 D HA -0.150 4.490 4.640 0.000 0.000 0.208 403 D C 1.611 177.895 176.300 -0.027 0.000 0.971 403 D CA 1.000 54.984 54.000 -0.028 0.000 0.867 403 D CB -0.874 39.911 40.800 -0.025 0.000 0.929 403 D HN 0.399 nan 8.370 nan 0.000 0.492 404 S N -0.040 115.642 115.700 -0.030 0.000 3.120 404 S HA 0.234 4.704 4.470 0.000 0.000 0.259 404 S C 0.084 174.665 174.600 -0.032 0.000 1.191 404 S CA -0.752 57.431 58.200 -0.029 0.000 1.257 404 S CB -0.733 62.450 63.200 -0.029 0.000 0.964 404 S HN 0.064 nan 8.310 nan 0.000 0.473 405 V N 2.690 122.584 119.914 -0.032 0.000 2.376 405 V HA 0.391 4.511 4.120 0.000 0.000 0.287 405 V C 0.819 176.890 176.094 -0.038 0.000 1.015 405 V CA -0.578 61.699 62.300 -0.039 0.000 0.834 405 V CB 1.149 32.948 31.823 -0.039 0.000 1.001 405 V HN 0.738 nan 8.190 nan 0.000 0.428 406 T N 1.506 116.035 114.554 -0.041 0.000 2.795 406 T HA 0.027 4.377 4.350 0.000 0.000 0.314 406 T C 1.499 176.174 174.700 -0.042 0.000 1.069 406 T CA 0.655 62.733 62.100 -0.038 0.000 1.071 406 T CB 1.169 70.014 68.868 -0.038 0.000 0.988 406 T HN 0.650 nan 8.240 nan 0.000 0.543 407 S N 0.706 116.386 115.700 -0.034 0.000 2.447 407 S HA 0.011 4.481 4.470 0.000 0.000 0.233 407 S C 2.191 176.766 174.600 -0.042 0.000 1.006 407 S CA 0.919 59.100 58.200 -0.032 0.000 0.957 407 S CB -1.069 62.118 63.200 -0.022 0.000 0.773 407 S HN 0.905 nan 8.310 nan 0.000 0.507 408 A N 1.638 124.431 122.820 -0.045 0.000 1.872 408 A HA -0.023 4.297 4.320 0.000 0.000 0.214 408 A C 1.939 179.477 177.584 -0.077 0.000 1.187 408 A CA 1.456 53.462 52.037 -0.051 0.000 0.614 408 A CB -0.888 18.086 19.000 -0.043 0.000 0.826 408 A HN 0.534 nan 8.150 nan 0.000 0.442 409 D N 0.041 120.389 120.400 -0.087 0.000 2.133 409 D HA -0.166 4.474 4.640 0.000 0.000 0.192 409 D C 2.086 178.279 176.300 -0.179 0.000 1.001 409 D CA 1.840 55.764 54.000 -0.128 0.000 0.844 409 D CB -0.414 40.316 40.800 -0.116 0.000 0.944 409 D HN 0.206 nan 8.370 nan 0.000 0.447 410 V N 0.951 120.780 119.914 -0.141 0.000 2.295 410 V HA -0.218 3.902 4.120 0.000 0.000 0.246 410 V C 2.703 178.713 176.094 -0.140 0.000 1.049 410 V CA 1.181 63.392 62.300 -0.149 0.000 1.024 410 V CB -0.477 31.300 31.823 -0.077 0.000 0.648 410 V HN 0.062 nan 8.190 nan 0.000 0.447 411 V N 0.584 120.443 119.914 -0.092 0.000 2.626 411 V HA -0.194 3.926 4.120 0.000 0.000 0.252 411 V C 2.237 178.283 176.094 -0.080 0.000 1.067 411 V CA 1.763 64.024 62.300 -0.065 0.000 1.081 411 V CB -0.912 30.887 31.823 -0.040 0.000 0.686 411 V HN 0.564 nan 8.190 nan 0.000 0.468 412 N N 0.865 119.494 118.700 -0.118 0.000 2.135 412 N HA -0.064 4.676 4.740 0.000 0.000 0.186 412 N C 2.050 177.447 175.510 -0.188 0.000 1.027 412 N CA 1.627 54.602 53.050 -0.125 0.000 0.849 412 N CB -0.526 37.882 38.487 -0.132 0.000 1.002 412 N HN 0.455 nan 8.380 nan 0.000 0.425 413 A N 1.490 124.090 122.820 -0.366 0.000 1.884 413 A HA -0.158 4.162 4.320 0.000 0.000 0.219 413 A C 2.406 179.831 177.584 -0.264 0.000 1.197 413 A CA 2.532 54.153 52.037 -0.692 0.000 0.637 413 A CB -1.115 17.189 19.000 -1.159 0.000 0.827 413 A HN 0.345 nan 8.150 nan 0.000 0.450 414 A N -0.622 122.110 122.820 -0.146 0.000 1.908 414 A HA -0.222 4.098 4.320 0.000 0.000 0.218 414 A C 2.120 179.787 177.584 0.137 0.000 1.181 414 A CA 2.053 54.116 52.037 0.044 0.000 0.627 414 A CB -0.490 18.526 19.000 0.027 0.000 0.818 414 A HN 0.596 nan 8.150 nan 0.000 0.445 415 K N -0.522 119.911 120.400 0.056 0.000 2.009 415 K HA -0.189 4.132 4.320 0.000 0.000 0.210 415 K C 2.212 178.875 176.600 0.106 0.000 1.049 415 K CA 1.712 58.041 56.287 0.071 0.000 0.929 415 K CB -0.217 32.293 32.500 0.017 0.000 0.714 415 K HN 0.490 nan 8.250 nan 0.000 0.440 416 K N 0.304 120.755 120.400 0.086 0.000 2.173 416 K HA -0.230 4.090 4.320 0.000 0.000 0.207 416 K C 1.959 178.663 176.600 0.173 0.000 1.046 416 K CA 1.555 57.911 56.287 0.115 0.000 0.929 416 K CB -0.169 32.423 32.500 0.153 0.000 0.720 416 K HN 0.104 nan 8.250 nan 0.000 0.453 417 F N 0.451 120.485 119.950 0.141 0.000 2.098 417 F HA -0.137 4.390 4.527 0.000 0.000 0.294 417 F C 1.713 177.588 175.800 0.126 0.000 1.107 417 F CA 1.147 59.256 58.000 0.181 0.000 1.234 417 F CB -0.141 39.040 39.000 0.301 0.000 1.002 417 F HN -0.208 nan 8.300 nan 0.000 0.472 418 V N 0.431 120.546 119.914 0.335 0.000 2.594 418 V HA -0.259 3.861 4.120 0.000 0.000 0.253 418 V C 2.360 178.468 176.094 0.023 0.000 1.069 418 V CA 1.830 64.248 62.300 0.198 0.000 1.082 418 V CB -1.442 30.509 31.823 0.213 0.000 0.680 418 V HN 0.572 nan 8.190 nan 0.000 0.469 419 S N 0.369 116.072 115.700 0.004 0.000 2.427 419 S HA 0.200 4.670 4.470 0.000 0.000 0.224 419 S C 1.499 176.047 174.600 -0.086 0.000 1.047 419 S CA 0.423 58.605 58.200 -0.029 0.000 0.953 419 S CB -0.667 62.528 63.200 -0.008 0.000 0.824 419 S HN 0.596 nan 8.310 nan 0.000 0.502 420 G N 1.735 110.463 108.800 -0.120 0.000 2.771 420 G HA2 0.191 4.151 3.960 0.000 0.000 0.242 420 G HA3 0.191 4.151 3.960 0.000 0.000 0.242 420 G C -0.470 174.296 174.900 -0.224 0.000 1.233 420 G CA -0.492 44.499 45.100 -0.183 0.000 0.858 420 G HN 0.532 nan 8.290 nan 0.000 0.591 421 K N 0.514 120.765 120.400 -0.247 0.000 2.312 421 K HA 0.211 4.531 4.320 0.000 0.000 0.287 421 K C -0.017 176.475 176.600 -0.181 0.000 1.062 421 K CA -0.226 55.950 56.287 -0.185 0.000 0.934 421 K CB 0.306 32.723 32.500 -0.138 0.000 1.027 421 K HN 0.307 nan 8.250 nan 0.000 0.478 422 K N 1.376 121.683 120.400 -0.156 0.000 2.098 422 K HA 0.223 4.543 4.320 0.000 0.000 0.261 422 K C -0.730 175.817 176.600 -0.088 0.000 0.987 422 K CA -0.534 55.663 56.287 -0.149 0.000 0.916 422 K CB 1.647 34.013 32.500 -0.224 0.000 1.039 422 K HN 0.640 nan 8.250 nan 0.000 0.455 423 S N 1.618 117.259 115.700 -0.098 0.000 2.521 423 S HA 0.637 5.107 4.470 0.000 0.000 0.295 423 S C -0.776 173.699 174.600 -0.208 0.000 1.098 423 S CA -1.006 57.071 58.200 -0.204 0.000 0.999 423 S CB 1.158 64.188 63.200 -0.284 0.000 1.034 423 S HN 0.631 nan 8.310 nan 0.000 0.483 424 M N 2.663 122.125 119.600 -0.230 0.000 2.464 424 M HA 0.749 5.229 4.480 0.000 0.000 0.308 424 M C -1.868 174.297 176.300 -0.225 0.000 1.127 424 M CA -0.730 54.434 55.300 -0.226 0.000 0.913 424 M CB 2.102 34.590 32.600 -0.187 0.000 1.689 424 M HN 1.006 nan 8.290 nan 0.000 0.445 425 A N 3.329 126.005 122.820 -0.241 0.000 2.357 425 A HA 0.903 5.223 4.320 0.000 0.000 0.295 425 A C -1.421 176.024 177.584 -0.232 0.000 1.121 425 A CA -0.415 51.498 52.037 -0.207 0.000 0.742 425 A CB 1.121 20.014 19.000 -0.179 0.000 1.181 425 A HN 1.023 nan 8.150 nan 0.000 0.454 426 A N 1.632 124.338 122.820 -0.190 0.000 2.454 426 A HA 0.971 5.292 4.320 0.000 0.000 0.302 426 A C -0.284 177.224 177.584 -0.127 0.000 1.079 426 A CA -0.038 51.895 52.037 -0.174 0.000 0.731 426 A CB 1.520 20.415 19.000 -0.176 0.000 1.299 426 A HN 2.194 nan 8.150 nan 0.000 0.413 427 S N -0.101 115.542 115.700 -0.096 0.000 2.566 427 S HA 0.891 5.361 4.470 0.000 0.000 0.273 427 S C -0.172 174.399 174.600 -0.049 0.000 1.157 427 S CA 0.118 58.268 58.200 -0.083 0.000 0.938 427 S CB 1.038 64.170 63.200 -0.113 0.000 1.087 427 S HN 2.753 nan 8.310 nan 0.000 0.474 428 G N 1.440 110.225 108.800 -0.024 0.000 2.334 428 G HA2 0.156 4.116 3.960 0.000 0.000 0.249 428 G HA3 0.156 4.116 3.960 0.000 0.000 0.249 428 G C -1.876 173.047 174.900 0.038 0.000 1.327 428 G CA -0.345 44.781 45.100 0.043 0.000 0.979 428 G HN 0.767 nan 8.290 nan 0.000 0.471 429 D N 1.683 122.114 120.400 0.053 0.000 2.558 429 D HA 0.259 4.899 4.640 0.000 0.000 0.221 429 D C 1.735 178.036 176.300 0.002 0.000 1.143 429 D CA -0.297 53.719 54.000 0.026 0.000 1.010 429 D CB -0.176 40.639 40.800 0.025 0.000 1.068 429 D HN 0.364 nan 8.370 nan 0.000 0.511 430 L N 1.646 122.858 121.223 -0.019 0.000 2.700 430 L HA 0.031 4.371 4.340 0.000 0.000 0.240 430 L C 2.422 179.270 176.870 -0.037 0.000 1.162 430 L CA 0.189 54.998 54.840 -0.051 0.000 0.874 430 L CB -0.409 41.588 42.059 -0.103 0.000 1.001 430 L HN 0.302 nan 8.230 nan 0.000 0.447 431 G N -0.189 108.605 108.800 -0.010 0.000 2.517 431 G HA2 -0.247 3.714 3.960 0.000 0.000 0.222 431 G HA3 -0.247 3.714 3.960 0.000 0.000 0.222 431 G C 1.363 176.272 174.900 0.015 0.000 1.109 431 G CA 1.071 46.176 45.100 0.009 0.000 0.746 431 G HN 0.457 nan 8.290 nan 0.000 0.576 432 S N -0.475 115.225 115.700 -0.001 0.000 2.846 432 S HA 0.224 4.694 4.470 0.000 0.000 0.249 432 S C 0.153 174.755 174.600 0.004 0.000 1.028 432 S CA -0.387 57.818 58.200 0.008 0.000 1.043 432 S CB 0.976 64.170 63.200 -0.009 0.000 0.990 432 S HN 0.208 nan 8.310 nan 0.000 0.564 433 T N 5.439 119.979 114.554 -0.024 0.000 2.806 433 T HA 0.364 4.715 4.350 0.000 0.000 0.290 433 T C -2.365 172.298 174.700 -0.063 0.000 0.966 433 T CA -1.211 60.856 62.100 -0.054 0.000 1.060 433 T CB 1.169 69.973 68.868 -0.105 0.000 0.927 433 T HN 0.127 nan 8.240 nan 0.000 0.485 434 P HA 0.314 nan 4.420 nan 0.000 0.274 434 P C -0.850 176.455 177.300 0.007 0.000 1.237 434 P CA -0.533 62.612 63.100 0.076 0.000 0.793 434 P CB 0.598 32.349 31.700 0.084 0.000 0.977 435 F N 0.647 120.594 119.950 -0.006 0.000 2.377 435 F HA 0.115 4.642 4.527 0.000 0.000 0.328 435 F C 1.918 177.707 175.800 -0.019 0.000 1.094 435 F CA -0.518 57.471 58.000 -0.018 0.000 1.093 435 F CB 0.134 39.124 39.000 -0.017 0.000 1.214 435 F HN 0.118 nan 8.300 nan 0.000 0.518 436 L N 2.050 123.349 121.223 0.126 0.000 2.103 436 L HA -0.265 4.075 4.340 0.000 0.000 0.215 436 L C 1.933 178.843 176.870 0.066 0.000 1.080 436 L CA 2.065 56.936 54.840 0.051 0.000 0.764 436 L CB -0.978 41.073 42.059 -0.012 0.000 0.890 436 L HN 0.754 nan 8.230 nan 0.000 0.435 437 D N -1.835 118.620 120.400 0.092 0.000 2.363 437 D HA -0.129 4.511 4.640 0.000 0.000 0.226 437 D C 1.234 177.566 176.300 0.055 0.000 1.020 437 D CA 0.705 54.736 54.000 0.051 0.000 0.892 437 D CB -0.351 40.463 40.800 0.024 0.000 0.900 437 D HN 0.570 nan 8.370 nan 0.000 0.531 438 E N -0.168 120.086 120.200 0.091 0.000 2.501 438 E HA 0.226 4.576 4.350 0.000 0.000 0.201 438 E C 0.433 177.078 176.600 0.075 0.000 1.016 438 E CA -0.208 56.240 56.400 0.080 0.000 0.920 438 E CB 0.811 30.579 29.700 0.114 0.000 1.023 438 E HN 0.335 nan 8.360 nan 0.000 0.474 439 L N 0.000 121.270 121.223 0.079 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.894 54.840 0.089 0.000 0.813 439 L CB 0.000 42.134 42.059 0.125 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502