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 2nsp_1_A DATA FIRST_RESID 25 DATA SEQUENCE ATTYNAVVSK SSSDGKTFKT IADAIASAPA GSTPFVILIK NGVYNERLTI DATA SEQUENCE TRNNLHLKGE SRNGAVIAAA TAAGTLKSDG SKWGTAGSST ITISAKDFSA DATA SEQUENCE QSLTIRNDFD FPANQAKSDS DSSKIKDTQA VALYVTKSGD RAYFKDVSLV DATA SEQUENCE GYQATLYVSG GRSFFSDcRI SGTVDFIFGD GTALFNNcDL VSRYRADVKS DATA SEQUENCE GNVSGYLTAP STNINQKYGL VITNSRVIRE SDSVPAKSYG LGRPWHPTTT DATA SEQUENCE FSDGRYADPN AIGQTVFLNT SMDNHIYGWD KMSGKDKNGN TIWFNPEDSR DATA SEQUENCE FFEYKSYGAG ATVSKDRRQL TDAQAAEYTQ SKVLGDWTPT LP 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.506 177.584 -0.129 0.000 1.274 25 A CA 0.000 51.983 52.037 -0.090 0.000 0.836 25 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 26 T N -0.642 113.804 114.554 -0.178 0.000 2.848 26 T HA 0.823 5.169 4.350 -0.005 0.000 0.285 26 T C -0.367 174.082 174.700 -0.418 0.000 0.995 26 T CA -0.419 61.510 62.100 -0.284 0.000 0.970 26 T CB 1.830 70.517 68.868 -0.302 0.000 0.976 26 T HN 1.397 nan 8.240 nan 0.000 0.441 27 T N 2.051 116.337 114.554 -0.446 0.000 2.900 27 T HA 0.623 4.969 4.350 -0.005 0.000 0.295 27 T C -1.684 172.727 174.700 -0.482 0.000 1.044 27 T CA -0.610 61.225 62.100 -0.441 0.000 0.995 27 T CB 0.784 69.525 68.868 -0.211 0.000 1.072 27 T HN 0.541 nan 8.240 nan 0.000 0.473 28 Y N 3.415 123.656 120.300 -0.098 0.000 2.341 28 Y HA 0.376 4.922 4.550 -0.007 0.000 0.337 28 Y C 1.395 177.186 175.900 -0.182 0.000 1.014 28 Y CA -0.994 57.023 58.100 -0.139 0.000 1.111 28 Y CB 1.131 39.533 38.460 -0.096 0.000 1.194 28 Y HN 0.681 nan 8.280 nan 0.000 0.462 29 N N 1.601 120.183 118.700 -0.198 0.000 2.354 29 N HA 0.196 4.932 4.740 -0.005 0.000 0.179 29 N C -0.206 175.176 175.510 -0.214 0.000 1.021 29 N CA 0.931 53.747 53.050 -0.390 0.000 0.887 29 N CB 0.331 38.135 38.487 -1.139 0.000 0.974 29 N HN 0.635 nan 8.380 nan 0.000 0.437 30 A N -0.458 122.282 122.820 -0.133 0.000 2.594 30 A HA 0.652 4.969 4.320 -0.005 0.000 0.295 30 A C -1.515 176.120 177.584 0.084 0.000 1.071 30 A CA -0.586 51.522 52.037 0.117 0.000 0.685 30 A CB 1.307 20.420 19.000 0.188 0.000 1.285 30 A HN -0.131 nan 8.150 nan 0.000 0.405 31 V N 1.188 121.207 119.914 0.174 0.000 2.604 31 V HA 0.603 4.719 4.120 -0.005 0.000 0.305 31 V C -0.481 175.706 176.094 0.157 0.000 1.043 31 V CA -0.620 61.717 62.300 0.062 0.000 0.888 31 V CB 1.694 33.527 31.823 0.017 0.000 0.995 31 V HN 0.738 nan 8.190 nan 0.000 0.429 32 V N 3.898 123.845 119.914 0.054 0.000 2.459 32 V HA 0.836 4.952 4.120 -0.005 0.000 0.295 32 V C 0.046 176.202 176.094 0.103 0.000 1.029 32 V CA -0.162 62.188 62.300 0.084 0.000 0.874 32 V CB 1.803 33.575 31.823 -0.085 0.000 0.985 32 V HN 1.083 nan 8.190 nan 0.000 0.438 33 S N 3.831 119.642 115.700 0.185 0.000 2.579 33 S HA 0.550 5.017 4.470 -0.005 0.000 0.272 33 S C 0.009 174.733 174.600 0.207 0.000 1.141 33 S CA -0.916 57.405 58.200 0.203 0.000 0.843 33 S CB 2.259 65.521 63.200 0.103 0.000 1.122 33 S HN 0.403 nan 8.310 nan 0.000 0.468 34 K N 0.853 121.334 120.400 0.134 0.000 2.305 34 K HA 0.256 4.573 4.320 -0.005 0.000 0.199 34 K C 0.266 176.885 176.600 0.030 0.000 1.047 34 K CA 0.426 56.735 56.287 0.037 0.000 0.976 34 K CB -0.183 32.280 32.500 -0.061 0.000 0.765 34 K HN 0.618 nan 8.250 nan 0.000 0.474 35 S N 0.840 116.562 115.700 0.038 0.000 2.554 35 S HA 0.099 4.565 4.470 -0.005 0.000 0.278 35 S C 1.083 175.697 174.600 0.023 0.000 1.242 35 S CA -0.493 57.721 58.200 0.023 0.000 1.051 35 S CB 1.702 64.913 63.200 0.018 0.000 0.986 35 S HN 0.276 nan 8.310 nan 0.000 0.502 36 S N 1.021 116.729 115.700 0.014 0.000 2.528 36 S HA -0.010 4.457 4.470 -0.005 0.000 0.219 36 S C 1.673 176.276 174.600 0.005 0.000 0.985 36 S CA 0.526 58.731 58.200 0.009 0.000 0.914 36 S CB -0.113 63.090 63.200 0.006 0.000 0.776 36 S HN 0.537 nan 8.310 nan 0.000 0.526 37 S N 1.444 117.148 115.700 0.007 0.000 2.481 37 S HA -0.044 4.423 4.470 -0.005 0.000 0.231 37 S C 1.205 175.809 174.600 0.006 0.000 0.996 37 S CA 0.948 59.151 58.200 0.005 0.000 0.942 37 S CB -0.577 62.626 63.200 0.006 0.000 0.768 37 S HN 0.536 nan 8.310 nan 0.000 0.520 38 D N 0.322 120.728 120.400 0.010 0.000 2.097 38 D HA 0.221 4.858 4.640 -0.005 0.000 0.197 38 D C 1.529 177.832 176.300 0.005 0.000 0.984 38 D CA 1.533 55.540 54.000 0.011 0.000 0.826 38 D CB -0.128 40.683 40.800 0.019 0.000 0.973 38 D HN 0.550 nan 8.370 nan 0.000 0.460 39 G N 0.018 108.817 108.800 -0.002 0.000 2.731 39 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.218 39 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.218 39 G C -0.817 174.065 174.900 -0.030 0.000 1.349 39 G CA -0.108 44.985 45.100 -0.012 0.000 1.225 39 G HN 0.291 nan 8.290 nan 0.000 0.526 40 K N 1.913 122.293 120.400 -0.033 0.000 2.737 40 K HA 0.451 4.768 4.320 -0.005 0.000 0.251 40 K C 0.095 176.645 176.600 -0.083 0.000 1.280 40 K CA 0.608 56.855 56.287 -0.067 0.000 1.219 40 K CB -0.276 32.195 32.500 -0.047 0.000 1.587 40 K HN 0.776 nan 8.250 nan 0.000 0.279 41 T N -2.054 112.448 114.554 -0.087 0.000 2.908 41 T HA 0.481 4.827 4.350 -0.005 0.000 0.290 41 T C -0.298 174.340 174.700 -0.103 0.000 1.034 41 T CA -0.892 61.185 62.100 -0.037 0.000 1.010 41 T CB 0.751 69.642 68.868 0.038 0.000 1.068 41 T HN 0.165 nan 8.240 nan 0.000 0.481 42 F N 1.229 121.203 119.950 0.039 0.000 2.418 42 F HA 0.416 4.941 4.527 -0.003 0.000 0.341 42 F C 1.909 177.749 175.800 0.067 0.000 1.120 42 F CA -0.509 57.520 58.000 0.049 0.000 1.232 42 F CB 1.100 40.128 39.000 0.046 0.000 1.175 42 F HN 0.618 nan 8.300 nan 0.000 0.569 43 K N -0.079 120.475 120.400 0.258 0.000 2.186 43 K HA 0.028 4.344 4.320 -0.005 0.000 0.202 43 K C 0.522 177.277 176.600 0.257 0.000 1.052 43 K CA 0.925 57.338 56.287 0.210 0.000 0.965 43 K CB 0.114 32.699 32.500 0.142 0.000 0.746 43 K HN 0.742 nan 8.250 nan 0.000 0.457 44 T N -2.646 112.049 114.554 0.235 0.000 2.887 44 T HA 0.382 4.729 4.350 -0.005 0.000 0.288 44 T C 1.094 175.829 174.700 0.059 0.000 1.021 44 T CA -0.810 61.397 62.100 0.179 0.000 1.000 44 T CB 1.543 70.496 68.868 0.142 0.000 1.034 44 T HN -0.101 nan 8.240 nan 0.000 0.467 45 I N 1.625 122.171 120.570 -0.040 0.000 2.226 45 I HA -0.050 4.116 4.170 -0.005 0.000 0.245 45 I C 3.013 179.075 176.117 -0.091 0.000 1.100 45 I CA 1.465 62.690 61.300 -0.125 0.000 1.374 45 I CB -0.709 37.187 38.000 -0.173 0.000 1.057 45 I HN 0.877 nan 8.210 nan 0.000 0.413 46 A N 0.791 123.588 122.820 -0.039 0.000 1.908 46 A HA -0.260 4.056 4.320 -0.005 0.000 0.218 46 A C 1.961 179.500 177.584 -0.075 0.000 1.181 46 A CA 2.256 54.270 52.037 -0.040 0.000 0.627 46 A CB -0.630 18.370 19.000 -0.000 0.000 0.818 46 A HN 0.353 nan 8.150 nan 0.000 0.445 47 D N -0.054 120.314 120.400 -0.054 0.000 2.117 47 D HA -0.032 4.605 4.640 -0.005 0.000 0.197 47 D C 2.248 178.292 176.300 -0.427 0.000 0.987 47 D CA 1.521 55.480 54.000 -0.068 0.000 0.829 47 D CB -0.481 40.418 40.800 0.166 0.000 0.961 47 D HN 0.431 nan 8.370 nan 0.000 0.460 48 A N 0.660 123.074 122.820 -0.677 0.000 1.902 48 A HA -0.129 4.188 4.320 -0.005 0.000 0.217 48 A C 2.376 179.698 177.584 -0.437 0.000 1.181 48 A CA 0.902 52.307 52.037 -1.053 0.000 0.623 48 A CB -0.708 17.920 19.000 -0.621 0.000 0.818 48 A HN 0.187 nan 8.150 nan 0.000 0.443 49 I N -0.225 120.199 120.570 -0.243 0.000 2.179 49 I HA -0.270 3.897 4.170 -0.005 0.000 0.242 49 I C 2.931 178.901 176.117 -0.244 0.000 1.088 49 I CA 1.086 62.288 61.300 -0.165 0.000 1.357 49 I CB -0.303 37.644 38.000 -0.088 0.000 1.051 49 I HN 0.345 nan 8.210 nan 0.000 0.409 50 A N 0.551 123.250 122.820 -0.202 0.000 1.972 50 A HA -0.210 4.107 4.320 -0.005 0.000 0.219 50 A C 2.439 179.912 177.584 -0.185 0.000 1.169 50 A CA 1.948 53.888 52.037 -0.162 0.000 0.635 50 A CB -0.771 18.175 19.000 -0.090 0.000 0.810 50 A HN 0.536 nan 8.150 nan 0.000 0.446 51 S N 0.060 115.626 115.700 -0.223 0.000 2.474 51 S HA 0.316 4.782 4.470 -0.005 0.000 0.235 51 S C 1.050 175.498 174.600 -0.253 0.000 0.997 51 S CA 0.471 58.596 58.200 -0.126 0.000 0.949 51 S CB -0.801 62.396 63.200 -0.004 0.000 0.766 51 S HN 0.996 nan 8.310 nan 0.000 0.517 52 A N 3.959 126.393 122.820 -0.643 0.000 2.520 52 A HA 0.453 4.769 4.320 -0.005 0.000 0.245 52 A C -1.735 175.561 177.584 -0.479 0.000 1.072 52 A CA -1.213 50.129 52.037 -1.159 0.000 0.761 52 A CB -0.389 17.659 19.000 -1.586 0.000 1.004 52 A HN 0.465 nan 8.150 nan 0.000 0.499 53 P HA 0.242 nan 4.420 nan 0.000 0.269 53 P C 0.031 177.261 177.300 -0.118 0.000 1.209 53 P CA 0.143 63.176 63.100 -0.111 0.000 0.776 53 P CB 0.545 32.239 31.700 -0.010 0.000 0.876 54 A N 2.139 124.912 122.820 -0.079 0.000 2.540 54 A HA 0.488 4.805 4.320 -0.005 0.000 0.239 54 A C 0.973 178.532 177.584 -0.042 0.000 1.061 54 A CA 1.148 53.146 52.037 -0.065 0.000 0.758 54 A CB -1.078 17.894 19.000 -0.046 0.000 0.991 54 A HN 0.949 nan 8.150 nan 0.000 0.502 55 G N 0.106 108.882 108.800 -0.040 0.000 2.293 55 G HA2 0.371 4.328 3.960 -0.005 0.000 0.282 55 G HA3 0.371 4.328 3.960 -0.005 0.000 0.282 55 G C 0.138 175.030 174.900 -0.012 0.000 1.299 55 G CA 0.431 45.520 45.100 -0.019 0.000 1.018 55 G HN 2.016 nan 8.290 nan 0.000 0.478 56 S N -1.295 114.410 115.700 0.008 0.000 2.960 56 S HA 0.425 4.892 4.470 -0.005 0.000 0.256 56 S C 0.710 175.339 174.600 0.048 0.000 1.017 56 S CA 1.025 59.236 58.200 0.019 0.000 1.144 56 S CB -0.058 63.145 63.200 0.006 0.000 1.109 56 S HN 1.954 nan 8.310 nan 0.000 0.638 57 T N 2.238 116.828 114.554 0.061 0.000 2.926 57 T HA 0.367 4.713 4.350 -0.005 0.000 0.307 57 T C -2.707 172.075 174.700 0.136 0.000 1.059 57 T CA -1.247 60.903 62.100 0.084 0.000 1.122 57 T CB -0.194 68.724 68.868 0.083 0.000 0.972 57 T HN 0.113 nan 8.240 nan 0.000 0.545 58 P HA 0.200 nan 4.420 nan 0.000 0.264 58 P C -1.179 176.271 177.300 0.251 0.000 1.193 58 P CA -0.176 63.047 63.100 0.204 0.000 0.763 58 P CB 0.078 31.837 31.700 0.097 0.000 0.810 59 F N 4.079 124.114 119.950 0.142 0.000 2.499 59 F HA 0.358 4.881 4.527 -0.007 0.000 0.333 59 F C -0.929 174.949 175.800 0.130 0.000 1.138 59 F CA -0.730 57.325 58.000 0.093 0.000 0.945 59 F CB 1.448 40.473 39.000 0.040 0.000 1.181 59 F HN 0.000 nan 8.300 nan 0.000 0.435 60 V N 7.340 127.125 119.914 -0.215 0.000 2.448 60 V HA 0.483 4.600 4.120 -0.005 0.000 0.295 60 V C -0.189 175.836 176.094 -0.114 0.000 1.025 60 V CA -0.734 61.539 62.300 -0.045 0.000 0.859 60 V CB 1.692 33.511 31.823 -0.007 0.000 0.988 60 V HN 0.560 nan 8.190 nan 0.000 0.431 61 I N 5.376 125.939 120.570 -0.011 0.000 2.389 61 I HA 0.399 4.565 4.170 -0.005 0.000 0.288 61 I C -0.628 175.412 176.117 -0.130 0.000 0.999 61 I CA -0.700 60.568 61.300 -0.054 0.000 1.129 61 I CB 1.864 39.864 38.000 0.001 0.000 1.288 61 I HN 0.449 nan 8.210 nan 0.000 0.444 62 L N 8.400 129.437 121.223 -0.310 0.000 2.305 62 L HA 0.514 4.851 4.340 -0.005 0.000 0.281 62 L C -0.660 176.049 176.870 -0.268 0.000 1.085 62 L CA 0.282 54.824 54.840 -0.498 0.000 0.813 62 L CB 0.629 42.040 42.059 -1.080 0.000 1.157 62 L HN 0.412 nan 8.230 nan 0.000 0.436 63 I N 6.020 126.464 120.570 -0.209 0.000 2.359 63 I HA 0.320 4.486 4.170 -0.005 0.000 0.284 63 I C -0.038 176.037 176.117 -0.069 0.000 1.018 63 I CA -0.831 60.365 61.300 -0.173 0.000 1.173 63 I CB 0.791 38.652 38.000 -0.231 0.000 1.326 63 I HN 0.496 nan 8.210 nan 0.000 0.462 64 K N 4.087 124.490 120.400 0.004 0.000 2.276 64 K HA 0.195 4.511 4.320 -0.005 0.000 0.259 64 K C -0.040 176.663 176.600 0.171 0.000 1.001 64 K CA -0.510 55.817 56.287 0.065 0.000 0.927 64 K CB 0.426 32.966 32.500 0.067 0.000 0.969 64 K HN 0.417 nan 8.250 nan 0.000 0.490 65 N N 0.651 119.417 118.700 0.111 0.000 2.293 65 N HA 0.083 4.820 4.740 -0.005 0.000 0.253 65 N C 0.472 176.043 175.510 0.101 0.000 1.248 65 N CA 0.954 54.069 53.050 0.108 0.000 0.845 65 N CB 0.383 38.901 38.487 0.051 0.000 1.073 65 N HN 0.730 nan 8.380 nan 0.000 0.464 66 G N -0.801 108.038 108.800 0.065 0.000 2.350 66 G HA2 0.153 4.110 3.960 -0.005 0.000 0.304 66 G HA3 0.153 4.110 3.960 -0.005 0.000 0.304 66 G C -1.679 173.107 174.900 -0.190 0.000 1.421 66 G CA -0.847 44.158 45.100 -0.158 0.000 0.934 66 G HN 0.330 nan 8.290 nan 0.000 0.632 67 V N 1.028 120.767 119.914 -0.292 0.000 2.350 67 V HA 0.477 4.593 4.120 -0.005 0.000 0.276 67 V C -0.908 175.013 176.094 -0.288 0.000 1.028 67 V CA -0.542 61.666 62.300 -0.153 0.000 0.860 67 V CB 0.628 32.410 31.823 -0.069 0.000 0.990 67 V HN 0.550 nan 8.190 nan 0.000 0.453 68 Y N 3.074 123.391 120.300 0.028 0.000 2.434 68 Y HA 0.292 4.840 4.550 -0.004 0.000 0.341 68 Y C 0.947 176.864 175.900 0.029 0.000 0.965 68 Y CA -0.477 57.641 58.100 0.031 0.000 1.205 68 Y CB 0.702 39.183 38.460 0.034 0.000 1.121 68 Y HN 0.626 nan 8.280 nan 0.000 0.507 69 N N 4.783 123.551 118.700 0.113 0.000 2.739 69 N HA 0.085 4.821 4.740 -0.005 0.000 0.266 69 N C -1.043 174.519 175.510 0.086 0.000 1.168 69 N CA 0.089 53.187 53.050 0.080 0.000 1.055 69 N CB 0.183 38.697 38.487 0.045 0.000 1.393 69 N HN 0.759 nan 8.380 nan 0.000 0.514 70 E N 1.849 122.103 120.200 0.089 0.000 2.383 70 E HA 0.377 4.724 4.350 -0.005 0.000 0.275 70 E C -1.025 175.596 176.600 0.035 0.000 0.918 70 E CA -0.829 55.612 56.400 0.068 0.000 0.764 70 E CB 2.229 31.981 29.700 0.088 0.000 1.252 70 E HN 0.363 nan 8.360 nan 0.000 0.449 71 R N 1.675 122.180 120.500 0.009 0.000 2.445 71 R HA 0.574 4.911 4.340 -0.005 0.000 0.308 71 R C -0.740 175.554 176.300 -0.010 0.000 0.961 71 R CA -0.617 55.472 56.100 -0.019 0.000 0.862 71 R CB 1.227 31.483 30.300 -0.073 0.000 1.144 71 R HN 0.314 nan 8.270 nan 0.000 0.447 72 L N 1.547 122.761 121.223 -0.014 0.000 2.362 72 L HA 0.556 4.893 4.340 -0.005 0.000 0.271 72 L C -0.369 176.474 176.870 -0.044 0.000 1.002 72 L CA -0.806 54.020 54.840 -0.023 0.000 0.818 72 L CB 2.530 44.578 42.059 -0.020 0.000 1.298 72 L HN 0.544 nan 8.230 nan 0.000 0.420 73 T N 3.548 118.071 114.554 -0.052 0.000 2.809 73 T HA 0.524 4.871 4.350 -0.005 0.000 0.284 73 T C -0.400 174.237 174.700 -0.106 0.000 0.992 73 T CA -0.379 61.675 62.100 -0.077 0.000 0.957 73 T CB 1.361 70.203 68.868 -0.044 0.000 0.942 73 T HN 0.148 nan 8.240 nan 0.000 0.439 74 I N 4.457 124.927 120.570 -0.167 0.000 2.312 74 I HA 0.289 4.456 4.170 -0.005 0.000 0.290 74 I C 1.537 177.561 176.117 -0.155 0.000 1.008 74 I CA -0.505 60.691 61.300 -0.175 0.000 1.226 74 I CB 0.677 38.494 38.000 -0.305 0.000 1.371 74 I HN 0.803 nan 8.210 nan 0.000 0.468 75 T N 2.317 116.804 114.554 -0.112 0.000 3.003 75 T HA 0.197 4.544 4.350 -0.005 0.000 0.261 75 T C 0.840 175.488 174.700 -0.085 0.000 1.003 75 T CA -0.267 61.773 62.100 -0.099 0.000 0.917 75 T CB 0.468 69.286 68.868 -0.082 0.000 1.084 75 T HN 0.439 nan 8.240 nan 0.000 0.522 76 R N 2.117 122.569 120.500 -0.080 0.000 2.254 76 R HA 0.338 4.675 4.340 -0.005 0.000 0.318 76 R C -0.766 175.503 176.300 -0.052 0.000 1.031 76 R CA -0.589 55.468 56.100 -0.071 0.000 0.905 76 R CB 0.415 30.659 30.300 -0.092 0.000 1.050 76 R HN 0.162 nan 8.270 nan 0.000 0.456 77 N N 2.764 121.435 118.700 -0.048 0.000 2.479 77 N HA -0.071 4.665 4.740 -0.005 0.000 0.257 77 N C 0.151 175.644 175.510 -0.029 0.000 1.232 77 N CA 0.369 53.394 53.050 -0.041 0.000 0.920 77 N CB 0.312 38.776 38.487 -0.037 0.000 1.105 77 N HN 0.666 nan 8.380 nan 0.000 0.444 78 N N -0.292 118.377 118.700 -0.052 0.000 2.754 78 N HA -0.199 4.537 4.740 -0.005 0.000 0.248 78 N C -1.251 174.151 175.510 -0.179 0.000 1.093 78 N CA 0.294 53.320 53.050 -0.041 0.000 0.699 78 N CB -1.160 37.388 38.487 0.102 0.000 1.016 78 N HN 0.554 nan 8.380 nan 0.000 0.552 79 L N 1.502 122.536 121.223 -0.315 0.000 2.325 79 L HA 0.520 4.857 4.340 -0.005 0.000 0.279 79 L C -0.348 176.097 176.870 -0.708 0.000 1.054 79 L CA -0.404 54.307 54.840 -0.216 0.000 0.804 79 L CB 1.004 43.099 42.059 0.060 0.000 1.200 79 L HN 0.179 nan 8.230 nan 0.000 0.436 80 H N 6.146 125.163 119.070 -0.089 0.000 2.782 80 H HA 0.432 4.984 4.556 -0.007 0.000 0.347 80 H C -1.233 173.979 175.328 -0.193 0.000 1.038 80 H CA -0.609 55.262 56.048 -0.295 0.000 1.255 80 H CB 1.603 31.247 29.762 -0.197 0.000 1.623 80 H HN 0.516 nan 8.280 nan 0.000 0.525 81 L N 2.492 123.595 121.223 -0.201 0.000 2.317 81 L HA 0.468 4.805 4.340 -0.005 0.000 0.281 81 L C 0.134 176.954 176.870 -0.083 0.000 1.024 81 L CA -0.587 54.206 54.840 -0.079 0.000 0.810 81 L CB 1.922 43.982 42.059 0.002 0.000 1.240 81 L HN 0.333 nan 8.230 nan 0.000 0.427 82 K N 1.924 122.289 120.400 -0.059 0.000 2.579 82 K HA 0.525 4.842 4.320 -0.005 0.000 0.250 82 K C -0.276 176.277 176.600 -0.080 0.000 0.952 82 K CA -0.447 55.809 56.287 -0.053 0.000 0.857 82 K CB 1.783 34.291 32.500 0.013 0.000 1.123 82 K HN 0.756 nan 8.250 nan 0.000 0.433 83 G N 1.898 110.671 108.800 -0.045 0.000 2.507 83 G HA2 0.015 3.972 3.960 -0.005 0.000 0.271 83 G HA3 0.015 3.972 3.960 -0.005 0.000 0.271 83 G C 0.412 175.295 174.900 -0.028 0.000 1.189 83 G CA -0.326 44.755 45.100 -0.033 0.000 0.859 83 G HN 0.898 nan 8.290 nan 0.000 0.542 84 E N -0.448 119.741 120.200 -0.019 0.000 2.110 84 E HA -0.058 4.288 4.350 -0.005 0.000 0.193 84 E C 0.870 177.476 176.600 0.010 0.000 0.988 84 E CA 1.262 57.657 56.400 -0.009 0.000 0.804 84 E CB 0.086 29.789 29.700 0.004 0.000 0.745 84 E HN 0.498 nan 8.360 nan 0.000 0.458 85 S N -2.003 113.709 115.700 0.020 0.000 2.543 85 S HA 0.294 4.760 4.470 -0.005 0.000 0.274 85 S C 0.018 174.637 174.600 0.032 0.000 1.149 85 S CA -0.911 57.303 58.200 0.024 0.000 0.866 85 S CB 1.610 64.824 63.200 0.023 0.000 1.111 85 S HN 0.175 nan 8.310 nan 0.000 0.457 86 R N 1.876 122.394 120.500 0.031 0.000 2.091 86 R HA -0.094 4.243 4.340 -0.005 0.000 0.238 86 R C 1.679 178.001 176.300 0.037 0.000 1.136 86 R CA 2.155 58.278 56.100 0.038 0.000 0.959 86 R CB -0.584 29.738 30.300 0.037 0.000 0.856 86 R HN 0.857 nan 8.270 nan 0.000 0.437 87 N N -1.570 117.147 118.700 0.029 0.000 2.166 87 N HA -0.110 4.627 4.740 -0.005 0.000 0.186 87 N C 1.438 176.965 175.510 0.028 0.000 1.019 87 N CA 1.026 54.090 53.050 0.023 0.000 0.856 87 N CB 0.002 38.498 38.487 0.016 0.000 0.993 87 N HN 0.338 nan 8.380 nan 0.000 0.426 88 G N -0.681 108.140 108.800 0.035 0.000 2.848 88 G HA2 0.351 4.307 3.960 -0.005 0.000 0.213 88 G HA3 0.351 4.307 3.960 -0.005 0.000 0.213 88 G C -0.006 174.936 174.900 0.069 0.000 1.101 88 G CA -0.085 45.039 45.100 0.040 0.000 0.778 88 G HN 0.247 nan 8.290 nan 0.000 0.536 89 A N 0.926 123.797 122.820 0.086 0.000 2.280 89 A HA 0.681 4.997 4.320 -0.005 0.000 0.320 89 A C -0.945 176.725 177.584 0.143 0.000 1.366 89 A CA -0.300 51.821 52.037 0.139 0.000 0.938 89 A CB 0.927 19.986 19.000 0.099 0.000 1.157 89 A HN 0.196 nan 8.150 nan 0.000 0.536 90 V N 4.333 124.365 119.914 0.196 0.000 2.540 90 V HA 0.434 4.550 4.120 -0.005 0.000 0.302 90 V C -0.356 175.872 176.094 0.224 0.000 1.035 90 V CA -0.300 62.094 62.300 0.158 0.000 0.873 90 V CB 1.650 33.532 31.823 0.097 0.000 0.992 90 V HN 0.743 nan 8.190 nan 0.000 0.428 91 I N 3.986 124.653 120.570 0.161 0.000 2.362 91 I HA 0.828 4.995 4.170 -0.005 0.000 0.289 91 I C 0.122 176.305 176.117 0.110 0.000 0.994 91 I CA -0.404 60.989 61.300 0.154 0.000 1.158 91 I CB 1.675 39.743 38.000 0.113 0.000 1.315 91 I HN 0.717 nan 8.210 nan 0.000 0.451 92 A N 5.136 128.018 122.820 0.102 0.000 2.488 92 A HA 0.976 5.293 4.320 -0.005 0.000 0.298 92 A C -1.146 176.474 177.584 0.059 0.000 1.044 92 A CA -0.466 51.615 52.037 0.073 0.000 0.693 92 A CB 1.881 20.920 19.000 0.065 0.000 1.272 92 A HN 0.856 nan 8.150 nan 0.000 0.402 93 A N 0.413 123.261 122.820 0.046 0.000 2.606 93 A HA 0.899 5.216 4.320 -0.005 0.000 0.293 93 A C -0.536 177.072 177.584 0.041 0.000 1.082 93 A CA 0.039 52.093 52.037 0.029 0.000 0.685 93 A CB 1.230 20.225 19.000 -0.009 0.000 1.284 93 A HN 2.477 nan 8.150 nan 0.000 0.408 94 A N 1.149 123.998 122.820 0.048 0.000 2.267 94 A HA 0.758 5.075 4.320 -0.005 0.000 0.315 94 A C -0.338 177.277 177.584 0.052 0.000 1.297 94 A CA -0.245 51.855 52.037 0.104 0.000 0.865 94 A CB 0.099 19.185 19.000 0.142 0.000 1.165 94 A HN 1.094 nan 8.150 nan 0.000 0.513 95 T N 1.523 116.084 114.554 0.012 0.000 3.109 95 T HA 0.617 4.964 4.350 -0.005 0.000 0.311 95 T C -0.178 174.414 174.700 -0.180 0.000 1.011 95 T CA -0.033 61.985 62.100 -0.136 0.000 1.026 95 T CB 1.446 70.097 68.868 -0.361 0.000 1.047 95 T HN 1.135 nan 8.240 nan 0.000 0.448 96 A N 1.838 124.464 122.820 -0.323 0.000 2.281 96 A HA 0.908 5.225 4.320 -0.005 0.000 0.329 96 A C 1.600 179.063 177.584 -0.201 0.000 1.122 96 A CA -0.204 51.520 52.037 -0.522 0.000 0.850 96 A CB 0.356 18.602 19.000 -1.257 0.000 1.207 96 A HN 1.056 nan 8.150 nan 0.000 0.495 97 A N 0.543 123.270 122.820 -0.155 0.000 1.948 97 A HA 0.034 4.351 4.320 -0.005 0.000 0.220 97 A C 1.902 179.498 177.584 0.020 0.000 1.177 97 A CA 2.314 54.341 52.037 -0.018 0.000 0.636 97 A CB -0.984 17.992 19.000 -0.040 0.000 0.815 97 A HN 1.517 nan 8.150 nan 0.000 0.449 98 G N -1.450 107.319 108.800 -0.052 0.000 2.985 98 G HA2 0.270 4.227 3.960 -0.005 0.000 0.209 98 G HA3 0.270 4.227 3.960 -0.005 0.000 0.209 98 G C 0.513 175.428 174.900 0.027 0.000 1.165 98 G CA 0.554 45.647 45.100 -0.012 0.000 0.776 98 G HN 0.367 nan 8.290 nan 0.000 0.541 99 T N 1.723 116.312 114.554 0.059 0.000 2.902 99 T HA 0.278 4.625 4.350 -0.005 0.000 0.301 99 T C 0.332 175.174 174.700 0.236 0.000 1.012 99 T CA 0.155 62.356 62.100 0.168 0.000 1.151 99 T CB 1.132 70.127 68.868 0.211 0.000 0.946 99 T HN -0.020 nan 8.240 nan 0.000 0.542 100 L N 3.629 124.935 121.223 0.138 0.000 2.312 100 L HA 0.406 4.743 4.340 -0.005 0.000 0.281 100 L C 0.932 177.787 176.870 -0.025 0.000 1.070 100 L CA -0.786 54.066 54.840 0.020 0.000 0.805 100 L CB 0.800 42.864 42.059 0.008 0.000 1.174 100 L HN 0.537 nan 8.230 nan 0.000 0.434 101 K N 0.968 121.206 120.400 -0.270 0.000 2.318 101 K HA 0.225 4.541 4.320 -0.005 0.000 0.243 101 K C 1.133 177.651 176.600 -0.137 0.000 1.047 101 K CA -0.555 55.535 56.287 -0.328 0.000 0.937 101 K CB 0.592 32.712 32.500 -0.635 0.000 1.225 101 K HN 0.498 nan 8.250 nan 0.000 0.506 102 S N 1.567 117.203 115.700 -0.106 0.000 2.382 102 S HA -0.154 4.313 4.470 -0.005 0.000 0.228 102 S C 1.201 175.763 174.600 -0.063 0.000 1.027 102 S CA 1.913 60.082 58.200 -0.052 0.000 0.991 102 S CB -0.405 62.776 63.200 -0.031 0.000 0.823 102 S HN 0.718 nan 8.310 nan 0.000 0.469 103 D N 0.295 120.637 120.400 -0.096 0.000 2.363 103 D HA 0.181 4.817 4.640 -0.005 0.000 0.226 103 D C 1.249 177.503 176.300 -0.075 0.000 1.020 103 D CA 0.786 54.737 54.000 -0.080 0.000 0.892 103 D CB -0.741 40.005 40.800 -0.090 0.000 0.900 103 D HN 0.429 nan 8.370 nan 0.000 0.531 104 G N -0.068 108.682 108.800 -0.083 0.000 2.176 104 G HA2 -0.272 3.684 3.960 -0.005 0.000 0.253 104 G HA3 -0.272 3.684 3.960 -0.005 0.000 0.253 104 G C 0.360 175.213 174.900 -0.078 0.000 0.979 104 G CA 0.397 45.459 45.100 -0.063 0.000 0.641 104 G HN 0.836 nan 8.290 nan 0.000 0.530 105 S N -0.338 115.290 115.700 -0.121 0.000 2.616 105 S HA 0.713 5.180 4.470 -0.005 0.000 0.277 105 S C 0.181 174.682 174.600 -0.166 0.000 1.234 105 S CA -0.478 57.648 58.200 -0.124 0.000 1.028 105 S CB 1.925 65.045 63.200 -0.133 0.000 0.988 105 S HN 0.430 nan 8.310 nan 0.000 0.522 106 K N 0.679 121.019 120.400 -0.101 0.000 2.237 106 K HA 0.125 4.441 4.320 -0.005 0.000 0.270 106 K C 0.149 176.707 176.600 -0.070 0.000 1.015 106 K CA -0.259 55.995 56.287 -0.055 0.000 0.949 106 K CB 0.452 32.956 32.500 0.007 0.000 0.976 106 K HN 0.780 nan 8.250 nan 0.000 0.472 107 W N 1.525 122.820 121.300 -0.008 0.000 2.363 107 W HA -0.103 4.553 4.660 -0.007 0.000 0.296 107 W C 1.111 177.635 176.519 0.009 0.000 1.212 107 W CA 1.648 58.995 57.345 0.003 0.000 1.260 107 W CB -0.173 29.285 29.460 -0.003 0.000 1.131 107 W HN 0.951 nan 8.180 nan 0.000 0.530 108 G N -0.600 108.331 108.800 0.219 0.000 2.795 108 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.664 108 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.664 108 G C 0.398 175.374 174.900 0.126 0.000 1.381 108 G CA -0.262 44.919 45.100 0.135 0.000 0.853 108 G HN 0.036 nan 8.290 nan 0.000 0.545 109 T N 1.053 115.655 114.554 0.081 0.000 2.643 109 T HA 0.059 4.406 4.350 -0.005 0.000 0.264 109 T C 2.976 177.739 174.700 0.106 0.000 1.045 109 T CA 3.198 65.328 62.100 0.051 0.000 1.155 109 T CB -0.667 68.188 68.868 -0.023 0.000 0.863 109 T HN 1.684 nan 8.240 nan 0.000 0.420 110 A N 1.458 124.362 122.820 0.141 0.000 1.892 110 A HA 0.030 4.346 4.320 -0.005 0.000 0.218 110 A C 2.595 180.252 177.584 0.122 0.000 1.188 110 A CA 1.965 54.007 52.037 0.008 0.000 0.631 110 A CB -1.406 17.640 19.000 0.076 0.000 0.822 110 A HN 0.538 nan 8.150 nan 0.000 0.447 111 G N -0.548 108.378 108.800 0.209 0.000 2.559 111 G HA2 -0.038 3.919 3.960 -0.005 0.000 0.216 111 G HA3 -0.038 3.919 3.960 -0.005 0.000 0.216 111 G C 1.624 176.616 174.900 0.153 0.000 1.126 111 G CA 1.403 46.693 45.100 0.316 0.000 0.778 111 G HN 0.886 nan 8.290 nan 0.000 0.543 112 S N -0.711 115.026 115.700 0.062 0.000 2.558 112 S HA 0.221 4.688 4.470 -0.005 0.000 0.217 112 S C 1.196 175.737 174.600 -0.098 0.000 0.975 112 S CA 0.332 58.476 58.200 -0.093 0.000 0.912 112 S CB 0.042 63.216 63.200 -0.043 0.000 0.776 112 S HN 0.121 nan 8.310 nan 0.000 0.526 113 S N 1.333 117.031 115.700 -0.003 0.000 2.549 113 S HA 0.220 4.687 4.470 -0.005 0.000 0.283 113 S C 1.190 175.786 174.600 -0.007 0.000 1.320 113 S CA -0.153 58.078 58.200 0.051 0.000 1.058 113 S CB 0.534 63.840 63.200 0.176 0.000 0.882 113 S HN 0.498 nan 8.310 nan 0.000 0.498 114 T N 5.115 119.677 114.554 0.013 0.000 2.737 114 T HA 0.109 4.456 4.350 -0.005 0.000 0.265 114 T C 0.532 175.239 174.700 0.012 0.000 1.038 114 T CA 1.072 63.172 62.100 0.001 0.000 1.144 114 T CB -0.105 68.780 68.868 0.029 0.000 0.866 114 T HN 0.581 nan 8.240 nan 0.000 0.434 115 I N 1.179 121.771 120.570 0.037 0.000 2.436 115 I HA 0.292 4.459 4.170 -0.005 0.000 0.289 115 I C -0.770 175.354 176.117 0.012 0.000 1.010 115 I CA -0.552 60.756 61.300 0.013 0.000 1.098 115 I CB 2.370 40.386 38.000 0.027 0.000 1.266 115 I HN -0.068 nan 8.210 nan 0.000 0.434 116 T N 6.560 121.087 114.554 -0.045 0.000 2.786 116 T HA 0.501 4.848 4.350 -0.005 0.000 0.283 116 T C -0.205 174.355 174.700 -0.233 0.000 0.992 116 T CA -0.385 61.657 62.100 -0.096 0.000 0.954 116 T CB 1.141 69.983 68.868 -0.043 0.000 0.934 116 T HN 0.166 nan 8.240 nan 0.000 0.440 117 I N 3.258 123.645 120.570 -0.307 0.000 2.306 117 I HA 0.313 4.480 4.170 -0.005 0.000 0.288 117 I C 0.551 176.470 176.117 -0.329 0.000 1.036 117 I CA -0.362 60.717 61.300 -0.369 0.000 1.221 117 I CB 0.846 38.630 38.000 -0.360 0.000 1.385 117 I HN 0.561 nan 8.210 nan 0.000 0.472 118 S N 4.848 120.383 115.700 -0.275 0.000 2.592 118 S HA 0.667 5.133 4.470 -0.005 0.000 0.243 118 S C 0.293 174.790 174.600 -0.171 0.000 1.160 118 S CA -0.395 57.668 58.200 -0.229 0.000 1.145 118 S CB 0.686 63.767 63.200 -0.199 0.000 0.909 118 S HN 0.772 nan 8.310 nan 0.000 0.487 119 A N 1.259 123.980 122.820 -0.166 0.000 2.593 119 A HA 0.776 5.093 4.320 -0.005 0.000 0.290 119 A C -1.110 176.408 177.584 -0.110 0.000 1.126 119 A CA -0.906 51.059 52.037 -0.120 0.000 0.695 119 A CB 1.246 20.188 19.000 -0.097 0.000 1.290 119 A HN 0.288 nan 8.150 nan 0.000 0.414 120 K N 0.733 121.074 120.400 -0.097 0.000 2.098 120 K HA 0.467 4.784 4.320 -0.005 0.000 0.258 120 K C -0.998 175.547 176.600 -0.091 0.000 0.973 120 K CA -0.487 55.729 56.287 -0.119 0.000 0.898 120 K CB 0.568 32.995 32.500 -0.122 0.000 1.057 120 K HN 0.622 nan 8.250 nan 0.000 0.447 121 D N 1.089 121.411 120.400 -0.130 0.000 2.723 121 D HA -0.233 4.404 4.640 -0.005 0.000 0.236 121 D C -0.686 175.577 176.300 -0.062 0.000 1.138 121 D CA 0.908 54.874 54.000 -0.056 0.000 0.676 121 D CB -1.111 39.692 40.800 0.005 0.000 1.069 121 D HN 0.318 nan 8.370 nan 0.000 0.430 122 F N 1.668 121.484 119.950 -0.223 0.000 2.399 122 F HA 0.369 4.888 4.527 -0.012 0.000 0.342 122 F C 0.596 176.248 175.800 -0.247 0.000 1.106 122 F CA -0.258 57.558 58.000 -0.305 0.000 1.196 122 F CB 1.004 39.853 39.000 -0.252 0.000 1.163 122 F HN -0.036 nan 8.300 nan 0.000 0.547 123 S N 4.387 119.387 115.700 -1.166 0.000 2.549 123 S HA 0.913 5.380 4.470 -0.005 0.000 0.280 123 S C -1.194 172.661 174.600 -1.240 0.000 1.109 123 S CA -0.587 57.074 58.200 -0.898 0.000 0.905 123 S CB 1.486 64.558 63.200 -0.213 0.000 1.081 123 S HN 1.148 nan 8.310 nan 0.000 0.477 124 A N 1.617 123.969 122.820 -0.779 0.000 2.371 124 A HA 0.824 5.141 4.320 -0.005 0.000 0.311 124 A C -0.781 176.681 177.584 -0.203 0.000 1.068 124 A CA -0.670 51.177 52.037 -0.316 0.000 0.744 124 A CB 1.813 20.898 19.000 0.142 0.000 1.239 124 A HN 0.892 nan 8.150 nan 0.000 0.435 125 Q N 1.092 120.813 119.800 -0.132 0.000 2.359 125 Q HA 0.543 4.880 4.340 -0.005 0.000 0.274 125 Q C -0.767 175.213 176.000 -0.033 0.000 1.074 125 Q CA -0.316 55.422 55.803 -0.110 0.000 0.810 125 Q CB 1.696 30.346 28.738 -0.148 0.000 1.342 125 Q HN 1.111 nan 8.270 nan 0.000 0.427 126 S N 1.374 117.069 115.700 -0.008 0.000 3.697 126 S HA -0.195 4.272 4.470 -0.005 0.000 0.388 126 S C -0.768 173.851 174.600 0.030 0.000 0.941 126 S CA 1.215 59.423 58.200 0.013 0.000 1.247 126 S CB -1.941 61.260 63.200 0.002 0.000 0.904 126 S HN 0.556 nan 8.310 nan 0.000 0.518 127 L N -3.478 117.778 121.223 0.056 0.000 2.568 127 L HA 0.944 5.281 4.340 -0.005 0.000 0.257 127 L C -0.329 176.596 176.870 0.091 0.000 1.024 127 L CA -0.786 54.097 54.840 0.072 0.000 0.854 127 L CB 1.426 43.529 42.059 0.073 0.000 1.460 127 L HN -0.042 nan 8.230 nan 0.000 0.409 128 T N 1.906 116.513 114.554 0.087 0.000 2.824 128 T HA 0.790 5.136 4.350 -0.005 0.000 0.280 128 T C -0.342 174.414 174.700 0.093 0.000 0.995 128 T CA -0.025 62.123 62.100 0.081 0.000 1.009 128 T CB 0.949 69.852 68.868 0.059 0.000 0.955 128 T HN 0.519 nan 8.240 nan 0.000 0.452 129 I N 3.570 124.194 120.570 0.090 0.000 2.418 129 I HA 0.488 4.655 4.170 -0.005 0.000 0.287 129 I C 0.121 176.275 176.117 0.062 0.000 1.008 129 I CA -0.833 60.521 61.300 0.089 0.000 1.104 129 I CB 1.446 39.511 38.000 0.108 0.000 1.264 129 I HN 0.331 nan 8.210 nan 0.000 0.438 130 R N 3.869 124.404 120.500 0.059 0.000 2.670 130 R HA 0.423 4.759 4.340 -0.005 0.000 0.289 130 R C -0.762 175.572 176.300 0.058 0.000 0.965 130 R CA -1.010 55.117 56.100 0.045 0.000 0.899 130 R CB 2.086 32.409 30.300 0.039 0.000 1.173 130 R HN 0.457 nan 8.270 nan 0.000 0.456 131 N N 1.626 120.366 118.700 0.067 0.000 2.437 131 N HA 0.070 4.807 4.740 -0.005 0.000 0.259 131 N C -0.749 174.846 175.510 0.142 0.000 0.983 131 N CA -0.123 52.987 53.050 0.100 0.000 0.937 131 N CB 1.299 39.856 38.487 0.117 0.000 1.122 131 N HN 0.504 nan 8.380 nan 0.000 0.499 132 D N 2.190 122.675 120.400 0.141 0.000 2.325 132 D HA -0.002 4.635 4.640 -0.005 0.000 0.225 132 D C 0.041 176.459 176.300 0.196 0.000 1.096 132 D CA -0.106 53.980 54.000 0.144 0.000 0.844 132 D CB -0.347 40.509 40.800 0.094 0.000 0.925 132 D HN 0.457 nan 8.370 nan 0.000 0.513 133 F N 2.230 122.245 119.950 0.109 0.000 2.593 133 F HA -0.043 4.481 4.527 -0.005 0.000 0.393 133 F C 0.712 176.607 175.800 0.158 0.000 1.037 133 F CA -0.424 57.644 58.000 0.114 0.000 1.195 133 F CB 0.470 39.538 39.000 0.114 0.000 1.034 133 F HN -0.242 nan 8.300 nan 0.000 0.552 134 D N 7.188 127.243 120.400 -0.576 0.000 2.558 134 D HA -0.052 4.585 4.640 -0.005 0.000 0.221 134 D C 1.097 176.853 176.300 -0.906 0.000 1.143 134 D CA -0.045 53.655 54.000 -0.501 0.000 1.010 134 D CB -0.485 40.140 40.800 -0.291 0.000 1.068 134 D HN 0.594 nan 8.370 nan 0.000 0.511 135 F N 4.219 123.524 119.950 -1.076 0.000 2.065 135 F HA -0.101 4.424 4.527 -0.004 0.000 0.298 135 F C -1.074 174.340 175.800 -0.643 0.000 1.112 135 F CA 1.192 58.657 58.000 -0.891 0.000 1.212 135 F CB -0.836 37.741 39.000 -0.705 0.000 0.975 135 F HN 0.290 nan 8.300 nan 0.000 0.476 136 P HA -0.151 nan 4.420 nan 0.000 0.217 136 P C 1.521 178.582 177.300 -0.399 0.000 1.150 136 P CA 2.347 65.168 63.100 -0.465 0.000 0.832 136 P CB -0.360 31.194 31.700 -0.243 0.000 0.787 137 A N -0.391 122.216 122.820 -0.355 0.000 1.933 137 A HA -0.249 4.068 4.320 -0.005 0.000 0.218 137 A C 2.281 179.694 177.584 -0.285 0.000 1.175 137 A CA 2.155 54.035 52.037 -0.261 0.000 0.628 137 A CB -1.841 17.035 19.000 -0.208 0.000 0.814 137 A HN 0.176 nan 8.150 nan 0.000 0.444 138 N N -0.491 117.969 118.700 -0.401 0.000 2.069 138 N HA -0.194 4.543 4.740 -0.005 0.000 0.191 138 N C 1.867 177.194 175.510 -0.305 0.000 1.031 138 N CA 1.837 54.703 53.050 -0.307 0.000 0.852 138 N CB -0.181 38.131 38.487 -0.292 0.000 1.018 138 N HN 0.398 nan 8.380 nan 0.000 0.423 139 Q N -0.277 119.229 119.800 -0.490 0.000 2.224 139 Q HA 0.016 4.353 4.340 -0.005 0.000 0.203 139 Q C 1.875 177.727 176.000 -0.245 0.000 0.970 139 Q CA 1.228 56.782 55.803 -0.414 0.000 0.865 139 Q CB -0.437 27.944 28.738 -0.595 0.000 0.922 139 Q HN 0.547 nan 8.270 nan 0.000 0.445 140 A N 0.960 123.646 122.820 -0.223 0.000 2.119 140 A HA -0.054 4.262 4.320 -0.005 0.000 0.217 140 A C 0.864 178.385 177.584 -0.106 0.000 1.153 140 A CA 0.250 52.202 52.037 -0.142 0.000 0.692 140 A CB -0.081 18.844 19.000 -0.126 0.000 0.799 140 A HN 0.129 nan 8.150 nan 0.000 0.458 141 K N 1.212 121.545 120.400 -0.112 0.000 2.380 141 K HA 0.243 4.559 4.320 -0.005 0.000 0.267 141 K C 0.023 176.588 176.600 -0.059 0.000 0.990 141 K CA -0.169 56.073 56.287 -0.074 0.000 0.946 141 K CB 0.414 32.875 32.500 -0.065 0.000 0.937 141 K HN 0.235 nan 8.250 nan 0.000 0.491 142 S N 2.060 117.736 115.700 -0.041 0.000 2.568 142 S HA -0.038 4.428 4.470 -0.005 0.000 0.282 142 S C 0.595 175.178 174.600 -0.028 0.000 1.338 142 S CA -0.551 57.630 58.200 -0.032 0.000 1.045 142 S CB 0.570 63.756 63.200 -0.023 0.000 0.873 142 S HN 0.521 nan 8.310 nan 0.000 0.516 143 D N 1.851 122.237 120.400 -0.024 0.000 2.221 143 D HA -0.091 4.546 4.640 -0.005 0.000 0.204 143 D C 1.952 178.245 176.300 -0.011 0.000 0.982 143 D CA 1.450 55.439 54.000 -0.018 0.000 0.857 143 D CB -0.293 40.498 40.800 -0.015 0.000 0.934 143 D HN 0.604 nan 8.370 nan 0.000 0.475 144 S N -0.416 115.278 115.700 -0.010 0.000 2.562 144 S HA -0.071 4.396 4.470 -0.005 0.000 0.221 144 S C 0.689 175.286 174.600 -0.004 0.000 0.975 144 S CA -0.330 57.866 58.200 -0.006 0.000 0.918 144 S CB 0.146 63.343 63.200 -0.005 0.000 0.772 144 S HN -0.047 nan 8.310 nan 0.000 0.531 145 D N 3.115 123.511 120.400 -0.007 0.000 2.363 145 D HA 0.108 4.744 4.640 -0.005 0.000 0.263 145 D C 1.300 177.601 176.300 0.002 0.000 1.258 145 D CA 0.429 54.426 54.000 -0.004 0.000 0.907 145 D CB 1.265 42.059 40.800 -0.011 0.000 1.107 145 D HN 0.364 nan 8.370 nan 0.000 0.495 146 S N 1.740 117.444 115.700 0.006 0.000 2.474 146 S HA -0.178 4.289 4.470 -0.005 0.000 0.235 146 S C 1.713 176.325 174.600 0.019 0.000 0.997 146 S CA 0.969 59.176 58.200 0.011 0.000 0.949 146 S CB -0.226 62.980 63.200 0.011 0.000 0.766 146 S HN 0.407 nan 8.310 nan 0.000 0.517 147 S N 0.386 116.099 115.700 0.021 0.000 2.558 147 S HA 0.178 4.645 4.470 -0.005 0.000 0.217 147 S C 0.545 175.171 174.600 0.044 0.000 0.975 147 S CA -0.362 57.859 58.200 0.035 0.000 0.912 147 S CB -0.471 62.749 63.200 0.033 0.000 0.776 147 S HN 0.542 nan 8.310 nan 0.000 0.526 148 K N 1.660 122.077 120.400 0.027 0.000 2.383 148 K HA 0.287 4.604 4.320 -0.005 0.000 0.286 148 K C -0.788 175.840 176.600 0.045 0.000 1.051 148 K CA -0.294 56.009 56.287 0.026 0.000 0.974 148 K CB 0.201 32.699 32.500 -0.005 0.000 0.968 148 K HN 0.351 nan 8.250 nan 0.000 0.475 149 I N 5.362 125.984 120.570 0.087 0.000 2.395 149 I HA 0.040 4.206 4.170 -0.005 0.000 0.289 149 I C 1.083 177.242 176.117 0.070 0.000 1.023 149 I CA -0.150 61.199 61.300 0.083 0.000 1.350 149 I CB 1.447 39.508 38.000 0.102 0.000 1.409 149 I HN 0.695 nan 8.210 nan 0.000 0.507 150 K N 2.676 123.101 120.400 0.042 0.000 2.166 150 K HA 0.023 4.340 4.320 -0.005 0.000 0.201 150 K C -0.189 176.437 176.600 0.043 0.000 1.052 150 K CA 0.589 56.900 56.287 0.041 0.000 0.969 150 K CB 0.217 32.733 32.500 0.026 0.000 0.761 150 K HN 0.539 nan 8.250 nan 0.000 0.459 151 D N 1.679 122.087 120.400 0.013 0.000 2.483 151 D HA 0.002 4.639 4.640 -0.005 0.000 0.220 151 D C 0.441 176.710 176.300 -0.051 0.000 1.173 151 D CA 0.323 54.315 54.000 -0.014 0.000 0.964 151 D CB 1.100 41.887 40.800 -0.022 0.000 1.046 151 D HN 0.215 nan 8.370 nan 0.000 0.517 152 T N -1.774 112.796 114.554 0.025 0.000 3.107 152 T HA -0.071 4.276 4.350 -0.005 0.000 0.249 152 T C 0.894 175.617 174.700 0.038 0.000 1.096 152 T CA -0.534 61.636 62.100 0.117 0.000 1.012 152 T CB 0.047 69.212 68.868 0.496 0.000 0.977 152 T HN 0.204 nan 8.240 nan 0.000 0.527 153 Q N 1.748 121.503 119.800 -0.074 0.000 2.330 153 Q HA 0.460 4.796 4.340 -0.005 0.000 0.279 153 Q C -0.585 175.355 176.000 -0.100 0.000 1.024 153 Q CA -0.098 55.636 55.803 -0.115 0.000 0.900 153 Q CB 0.440 29.051 28.738 -0.212 0.000 1.221 153 Q HN 0.370 nan 8.270 nan 0.000 0.396 154 A N 3.223 126.036 122.820 -0.011 0.000 2.768 154 A HA 0.437 4.754 4.320 -0.005 0.000 0.299 154 A C -0.698 176.936 177.584 0.084 0.000 1.171 154 A CA -0.763 51.288 52.037 0.023 0.000 0.759 154 A CB 0.841 19.921 19.000 0.134 0.000 1.267 154 A HN 0.460 nan 8.150 nan 0.000 0.421 155 V N 2.100 122.061 119.914 0.079 0.000 2.555 155 V HA 0.358 4.475 4.120 -0.005 0.000 0.286 155 V C 1.496 177.657 176.094 0.111 0.000 1.044 155 V CA 0.767 63.150 62.300 0.138 0.000 1.026 155 V CB 0.982 32.916 31.823 0.185 0.000 0.981 155 V HN 1.026 nan 8.190 nan 0.000 0.480 156 A N 4.900 127.789 122.820 0.115 0.000 1.878 156 A HA 0.314 4.631 4.320 -0.005 0.000 0.213 156 A C 0.540 178.181 177.584 0.095 0.000 1.192 156 A CA 0.881 52.971 52.037 0.088 0.000 0.619 156 A CB 0.026 19.067 19.000 0.068 0.000 0.837 156 A HN 0.638 nan 8.150 nan 0.000 0.446 157 L N -1.585 119.706 121.223 0.113 0.000 2.436 157 L HA 0.635 4.972 4.340 -0.005 0.000 0.268 157 L C -1.728 175.256 176.870 0.190 0.000 0.974 157 L CA -0.798 54.108 54.840 0.109 0.000 0.826 157 L CB 2.088 44.165 42.059 0.031 0.000 1.291 157 L HN 0.269 nan 8.230 nan 0.000 0.406 158 Y N 5.182 125.485 120.300 0.005 0.000 2.326 158 Y HA 0.677 5.225 4.550 -0.003 0.000 0.329 158 Y C -1.485 174.364 175.900 -0.084 0.000 0.973 158 Y CA -1.471 56.603 58.100 -0.044 0.000 1.162 158 Y CB 1.683 40.111 38.460 -0.054 0.000 1.147 158 Y HN 0.352 nan 8.280 nan 0.000 0.456 159 V N 6.913 126.807 119.914 -0.032 0.000 2.350 159 V HA 0.350 4.466 4.120 -0.005 0.000 0.276 159 V C 0.502 176.324 176.094 -0.453 0.000 1.028 159 V CA -0.295 61.890 62.300 -0.191 0.000 0.860 159 V CB 1.079 32.931 31.823 0.048 0.000 0.990 159 V HN 0.905 nan 8.190 nan 0.000 0.453 160 T N 2.146 116.298 114.554 -0.671 0.000 2.814 160 T HA 0.294 4.640 4.350 -0.005 0.000 0.284 160 T C 1.097 175.621 174.700 -0.294 0.000 0.998 160 T CA -0.591 61.090 62.100 -0.697 0.000 0.935 160 T CB 0.778 69.230 68.868 -0.692 0.000 1.167 160 T HN 0.538 nan 8.240 nan 0.000 0.545 161 K N 0.249 120.532 120.400 -0.194 0.000 2.280 161 K HA -0.048 4.269 4.320 -0.005 0.000 0.202 161 K C 2.319 178.852 176.600 -0.111 0.000 1.047 161 K CA 1.089 57.312 56.287 -0.105 0.000 0.942 161 K CB -0.311 32.150 32.500 -0.064 0.000 0.739 161 K HN 0.476 nan 8.250 nan 0.000 0.457 162 S N 0.440 116.052 115.700 -0.145 0.000 2.501 162 S HA 0.030 4.497 4.470 -0.005 0.000 0.220 162 S C 1.022 175.538 174.600 -0.141 0.000 0.997 162 S CA 0.088 58.210 58.200 -0.130 0.000 0.919 162 S CB 0.301 63.422 63.200 -0.131 0.000 0.778 162 S HN 0.407 nan 8.310 nan 0.000 0.523 163 G N 1.478 110.179 108.800 -0.165 0.000 2.380 163 G HA2 0.439 4.395 3.960 -0.005 0.000 0.262 163 G HA3 0.439 4.395 3.960 -0.005 0.000 0.262 163 G C -1.001 173.815 174.900 -0.140 0.000 1.243 163 G CA -0.039 44.969 45.100 -0.154 0.000 0.865 163 G HN 0.158 nan 8.290 nan 0.000 0.513 164 D N 0.209 120.502 120.400 -0.178 0.000 2.753 164 D HA 0.387 5.024 4.640 -0.005 0.000 0.224 164 D C 0.291 176.334 176.300 -0.429 0.000 1.213 164 D CA -0.666 53.182 54.000 -0.253 0.000 0.833 164 D CB 1.157 41.824 40.800 -0.222 0.000 1.607 164 D HN 0.471 nan 8.370 nan 0.000 0.463 165 R N 0.456 120.495 120.500 -0.769 0.000 3.261 165 R HA -0.071 4.265 4.340 -0.005 0.000 0.257 165 R C -0.997 174.854 176.300 -0.749 0.000 1.014 165 R CA 0.834 55.969 56.100 -1.608 0.000 0.681 165 R CB -2.044 27.310 30.300 -1.577 0.000 1.155 165 R HN 0.350 nan 8.270 nan 0.000 0.424 166 A N 1.397 124.022 122.820 -0.326 0.000 2.276 166 A HA 0.542 4.859 4.320 -0.005 0.000 0.316 166 A C -0.973 176.684 177.584 0.123 0.000 1.229 166 A CA -0.430 51.594 52.037 -0.022 0.000 0.851 166 A CB 0.684 19.754 19.000 0.118 0.000 1.165 166 A HN 0.325 nan 8.150 nan 0.000 0.513 167 Y N 2.685 122.833 120.300 -0.253 0.000 2.341 167 Y HA 0.673 5.222 4.550 -0.001 0.000 0.338 167 Y C -1.862 173.637 175.900 -0.668 0.000 0.965 167 Y CA -2.128 55.868 58.100 -0.173 0.000 1.108 167 Y CB 1.125 39.655 38.460 0.117 0.000 1.180 167 Y HN 0.522 nan 8.280 nan 0.000 0.458 168 F N 5.640 125.514 119.950 -0.127 0.000 2.445 168 F HA 0.466 4.985 4.527 -0.013 0.000 0.348 168 F C -0.207 175.428 175.800 -0.274 0.000 1.125 168 F CA -0.806 57.050 58.000 -0.240 0.000 0.983 168 F CB 1.672 40.559 39.000 -0.187 0.000 1.198 168 F HN 0.305 nan 8.300 nan 0.000 0.436 169 K N 2.281 122.523 120.400 -0.262 0.000 2.345 169 K HA 0.343 4.660 4.320 -0.005 0.000 0.255 169 K C -0.601 175.961 176.600 -0.062 0.000 0.934 169 K CA -0.503 55.659 56.287 -0.210 0.000 0.801 169 K CB 1.173 33.424 32.500 -0.415 0.000 1.137 169 K HN 0.595 nan 8.250 nan 0.000 0.424 170 D N 1.890 122.297 120.400 0.010 0.000 2.697 170 D HA -0.147 4.489 4.640 -0.005 0.000 0.238 170 D C -1.552 174.785 176.300 0.062 0.000 1.152 170 D CA 0.660 54.681 54.000 0.035 0.000 0.666 170 D CB -0.628 40.179 40.800 0.012 0.000 1.037 170 D HN 0.143 nan 8.370 nan 0.000 0.423 171 V N 0.546 120.528 119.914 0.113 0.000 2.715 171 V HA 0.677 4.794 4.120 -0.005 0.000 0.310 171 V C 0.367 176.539 176.094 0.129 0.000 1.054 171 V CA -0.367 62.022 62.300 0.148 0.000 0.928 171 V CB 2.009 33.984 31.823 0.254 0.000 1.007 171 V HN 0.275 nan 8.190 nan 0.000 0.437 172 S N 4.594 120.354 115.700 0.100 0.000 2.478 172 S HA 0.736 5.203 4.470 -0.005 0.000 0.312 172 S C -1.041 173.595 174.600 0.060 0.000 1.094 172 S CA -0.579 57.660 58.200 0.065 0.000 1.081 172 S CB 0.507 63.729 63.200 0.036 0.000 1.007 172 S HN 0.544 nan 8.310 nan 0.000 0.475 173 L N 4.966 126.212 121.223 0.039 0.000 2.305 173 L HA 0.658 4.995 4.340 -0.005 0.000 0.284 173 L C -0.953 175.899 176.870 -0.030 0.000 1.013 173 L CA -0.946 53.908 54.840 0.023 0.000 0.819 173 L CB 1.848 43.925 42.059 0.030 0.000 1.227 173 L HN 0.357 nan 8.230 nan 0.000 0.417 174 V N 2.353 122.244 119.914 -0.037 0.000 2.448 174 V HA 0.937 5.053 4.120 -0.005 0.000 0.295 174 V C 0.354 176.384 176.094 -0.107 0.000 1.025 174 V CA -0.231 62.005 62.300 -0.106 0.000 0.859 174 V CB 1.471 33.241 31.823 -0.087 0.000 0.988 174 V HN 0.979 nan 8.190 nan 0.000 0.431 175 G N 2.650 111.316 108.800 -0.222 0.000 2.489 175 G HA2 0.489 4.446 3.960 -0.005 0.000 0.305 175 G HA3 0.489 4.446 3.960 -0.005 0.000 0.305 175 G C -1.345 173.306 174.900 -0.414 0.000 1.311 175 G CA -0.212 44.783 45.100 -0.175 0.000 0.813 175 G HN 0.373 nan 8.290 nan 0.000 0.480 176 Y N -0.330 119.926 120.300 -0.073 0.000 3.026 176 Y HA 0.452 4.999 4.550 -0.005 0.000 0.160 176 Y C 1.412 177.190 175.900 -0.203 0.000 0.896 176 Y CA 0.166 58.147 58.100 -0.197 0.000 1.769 176 Y CB -0.080 38.214 38.460 -0.277 0.000 1.264 176 Y HN 0.462 nan 8.280 nan 0.000 0.400 177 Q N 0.975 120.731 119.800 -0.074 0.000 2.296 177 Q HA 0.417 4.754 4.340 -0.005 0.000 0.262 177 Q C -0.013 175.953 176.000 -0.056 0.000 0.981 177 Q CA 0.474 56.209 55.803 -0.114 0.000 0.905 177 Q CB 0.741 29.364 28.738 -0.192 0.000 1.186 177 Q HN 0.615 nan 8.270 nan 0.000 0.399 178 A N 3.192 125.962 122.820 -0.082 0.000 2.914 178 A HA -0.204 4.113 4.320 -0.005 0.000 0.280 178 A C 0.959 178.687 177.584 0.241 0.000 1.447 178 A CA 0.999 52.971 52.037 -0.109 0.000 0.759 178 A CB -2.357 16.353 19.000 -0.484 0.000 1.034 178 A HN 0.942 nan 8.150 nan 0.000 0.529 179 T N -1.241 113.453 114.554 0.233 0.000 2.635 179 T HA -0.009 4.338 4.350 -0.005 0.000 0.267 179 T C 0.847 175.676 174.700 0.214 0.000 1.040 179 T CA 1.866 64.079 62.100 0.189 0.000 1.156 179 T CB -0.100 68.847 68.868 0.131 0.000 0.863 179 T HN 1.222 nan 8.240 nan 0.000 0.430 180 L N 0.892 122.264 121.223 0.247 0.000 2.343 180 L HA 0.470 4.806 4.340 -0.005 0.000 0.278 180 L C -1.626 175.239 176.870 -0.009 0.000 0.996 180 L CA -1.228 53.690 54.840 0.129 0.000 0.831 180 L CB 1.195 43.275 42.059 0.035 0.000 1.232 180 L HN 0.091 nan 8.230 nan 0.000 0.413 181 Y N 6.172 126.306 120.300 -0.277 0.000 2.491 181 Y HA 0.538 5.086 4.550 -0.004 0.000 0.334 181 Y C -0.699 175.098 175.900 -0.172 0.000 0.969 181 Y CA -1.605 56.039 58.100 -0.759 0.000 1.241 181 Y CB 1.136 39.212 38.460 -0.641 0.000 1.105 181 Y HN 0.401 nan 8.280 nan 0.000 0.503 182 V N 3.051 123.045 119.914 0.133 0.000 2.311 182 V HA 0.670 4.787 4.120 -0.005 0.000 0.275 182 V C 0.072 176.288 176.094 0.203 0.000 1.022 182 V CA -0.429 61.989 62.300 0.197 0.000 0.830 182 V CB 0.637 32.611 31.823 0.251 0.000 1.012 182 V HN 0.646 nan 8.190 nan 0.000 0.452 183 S N 3.702 119.473 115.700 0.119 0.000 2.798 183 S HA 0.963 5.430 4.470 -0.005 0.000 0.312 183 S C 0.810 175.428 174.600 0.030 0.000 1.122 183 S CA 0.704 58.959 58.200 0.092 0.000 0.949 183 S CB 1.372 64.595 63.200 0.038 0.000 1.235 183 S HN 2.435 nan 8.310 nan 0.000 0.552 184 G N 0.698 109.504 108.800 0.010 0.000 2.556 184 G HA2 -0.151 3.805 3.960 -0.005 0.000 0.283 184 G HA3 -0.151 3.805 3.960 -0.005 0.000 0.283 184 G C 0.643 175.545 174.900 0.003 0.000 1.177 184 G CA 0.388 45.476 45.100 -0.021 0.000 0.978 184 G HN 1.404 nan 8.290 nan 0.000 0.554 185 G N -0.030 108.756 108.800 -0.023 0.000 3.137 185 G HA2 0.548 4.504 3.960 -0.005 0.000 0.163 185 G HA3 0.548 4.504 3.960 -0.005 0.000 0.163 185 G C 0.116 175.027 174.900 0.018 0.000 1.602 185 G CA 0.233 45.321 45.100 -0.020 0.000 1.067 185 G HN 0.866 nan 8.290 nan 0.000 0.568 186 R N -0.113 120.368 120.500 -0.031 0.000 2.346 186 R HA 0.555 4.892 4.340 -0.005 0.000 0.311 186 R C -0.460 175.874 176.300 0.058 0.000 0.983 186 R CA -0.205 55.929 56.100 0.057 0.000 0.880 186 R CB 1.727 32.093 30.300 0.109 0.000 1.100 186 R HN 0.574 nan 8.270 nan 0.000 0.453 187 S N 1.668 117.514 115.700 0.243 0.000 2.548 187 S HA 0.689 5.156 4.470 -0.005 0.000 0.286 187 S C -1.208 173.622 174.600 0.383 0.000 1.098 187 S CA -0.872 57.505 58.200 0.295 0.000 0.930 187 S CB 1.491 64.863 63.200 0.288 0.000 1.070 187 S HN 0.462 nan 8.310 nan 0.000 0.480 188 F N 2.018 122.038 119.950 0.116 0.000 2.539 188 F HA 0.755 5.278 4.527 -0.006 0.000 0.318 188 F C -2.219 173.533 175.800 -0.081 0.000 1.135 188 F CA -1.810 56.199 58.000 0.016 0.000 0.915 188 F CB 1.148 40.073 39.000 -0.125 0.000 1.176 188 F HN 0.628 nan 8.300 nan 0.000 0.440 189 F N 3.836 123.511 119.950 -0.459 0.000 2.467 189 F HA 0.574 5.096 4.527 -0.008 0.000 0.336 189 F C 0.019 175.496 175.800 -0.538 0.000 1.123 189 F CA -0.757 57.060 58.000 -0.305 0.000 0.964 189 F CB 2.046 40.956 39.000 -0.150 0.000 1.136 189 F HN 0.417 nan 8.300 nan 0.000 0.447 190 S N 2.216 117.783 115.700 -0.222 0.000 2.571 190 S HA 0.473 4.939 4.470 -0.005 0.000 0.284 190 S C -1.002 173.609 174.600 0.018 0.000 1.128 190 S CA -0.685 57.403 58.200 -0.186 0.000 0.970 190 S CB 0.670 63.735 63.200 -0.224 0.000 1.039 190 S HN 0.690 nan 8.310 nan 0.000 0.485 191 D N 1.372 121.809 120.400 0.063 0.000 2.699 191 D HA -0.136 4.501 4.640 -0.005 0.000 0.239 191 D C 0.205 176.556 176.300 0.086 0.000 1.136 191 D CA 1.265 55.310 54.000 0.074 0.000 0.668 191 D CB -2.333 38.502 40.800 0.059 0.000 1.060 191 D HN 0.746 nan 8.370 nan 0.000 0.429 192 c N -1.094 117.578 118.600 0.120 0.000 2.486 192 c HA 0.825 5.392 4.570 -0.005 0.000 0.348 192 c C 0.381 174.534 174.090 0.105 0.000 1.203 192 c CA -1.090 55.325 56.329 0.143 0.000 1.911 192 c CB 2.396 45.052 42.510 0.244 0.000 2.340 192 c HN 0.394 nan 8.230 nan 0.000 0.511 193 R N 1.686 122.236 120.500 0.083 0.000 2.534 193 R HA 0.817 5.153 4.340 -0.005 0.000 0.301 193 R C -1.567 174.751 176.300 0.030 0.000 0.961 193 R CA -0.603 55.521 56.100 0.040 0.000 0.871 193 R CB 1.042 31.348 30.300 0.010 0.000 1.170 193 R HN 0.919 nan 8.270 nan 0.000 0.446 194 I N 3.202 123.778 120.570 0.011 0.000 2.512 194 I HA 0.232 4.398 4.170 -0.005 0.000 0.287 194 I C -0.490 175.562 176.117 -0.107 0.000 1.069 194 I CA -0.661 60.641 61.300 0.004 0.000 1.056 194 I CB 2.229 40.270 38.000 0.070 0.000 1.229 194 I HN 0.665 nan 8.210 nan 0.000 0.429 195 S N 3.988 119.519 115.700 -0.281 0.000 2.568 195 S HA 1.024 5.490 4.470 -0.005 0.000 0.302 195 S C -0.335 173.713 174.600 -0.921 0.000 1.082 195 S CA -0.459 57.384 58.200 -0.594 0.000 1.009 195 S CB 2.598 65.547 63.200 -0.417 0.000 1.069 195 S HN 1.064 nan 8.310 nan 0.000 0.500 196 G N 0.295 108.294 108.800 -1.334 0.000 2.321 196 G HA2 0.476 4.433 3.960 -0.005 0.000 0.296 196 G HA3 0.476 4.433 3.960 -0.005 0.000 0.296 196 G C -0.139 174.398 174.900 -0.604 0.000 1.287 196 G CA 0.148 44.652 45.100 -0.994 0.000 0.846 196 G HN 1.319 nan 8.290 nan 0.000 0.508 197 T N -3.547 110.982 114.554 -0.043 0.000 3.426 197 T HA 0.455 4.802 4.350 -0.005 0.000 0.195 197 T C 0.326 175.216 174.700 0.318 0.000 0.963 197 T CA 0.663 62.890 62.100 0.211 0.000 1.154 197 T CB -0.053 68.809 68.868 -0.009 0.000 1.377 197 T HN 0.950 nan 8.240 nan 0.000 0.342 198 V N 3.499 123.476 119.914 0.105 0.000 2.385 198 V HA 0.349 4.465 4.120 -0.005 0.000 0.269 198 V C -0.680 175.474 176.094 0.101 0.000 1.043 198 V CA -0.266 62.108 62.300 0.123 0.000 0.906 198 V CB 0.436 32.275 31.823 0.027 0.000 0.995 198 V HN 0.746 nan 8.190 nan 0.000 0.467 199 D N 3.677 124.165 120.400 0.145 0.000 2.689 199 D HA -0.260 4.376 4.640 -0.005 0.000 0.237 199 D C 0.569 176.862 176.300 -0.013 0.000 1.148 199 D CA 1.244 55.216 54.000 -0.046 0.000 0.656 199 D CB -0.961 39.649 40.800 -0.317 0.000 1.050 199 D HN 0.743 nan 8.370 nan 0.000 0.426 200 F N -1.254 118.714 119.950 0.030 0.000 2.780 200 F HA 0.263 4.787 4.527 -0.004 0.000 0.299 200 F C 0.621 176.478 175.800 0.095 0.000 1.146 200 F CA -0.277 57.748 58.000 0.042 0.000 1.428 200 F CB 0.165 39.160 39.000 -0.008 0.000 1.115 200 F HN 0.017 nan 8.300 nan 0.000 0.583 201 I N 2.390 122.890 120.570 -0.116 0.000 2.439 201 I HA 0.369 4.536 4.170 -0.005 0.000 0.283 201 I C -1.122 175.074 176.117 0.132 0.000 1.023 201 I CA -0.940 60.340 61.300 -0.033 0.000 1.100 201 I CB 1.488 39.308 38.000 -0.299 0.000 1.238 201 I HN 0.086 nan 8.210 nan 0.000 0.445 202 F N 4.028 123.969 119.950 -0.015 0.000 2.662 202 F HA 1.000 5.528 4.527 0.002 0.000 0.312 202 F C -0.047 175.883 175.800 0.217 0.000 1.113 202 F CA -0.837 57.170 58.000 0.012 0.000 0.951 202 F CB 1.563 40.409 39.000 -0.256 0.000 1.344 202 F HN 0.681 nan 8.300 nan 0.000 0.462 203 G N 1.421 110.474 108.800 0.422 0.000 2.353 203 G HA2 0.145 4.102 3.960 -0.005 0.000 0.615 203 G HA3 0.145 4.102 3.960 -0.005 0.000 0.615 203 G C -1.091 174.019 174.900 0.351 0.000 1.280 203 G CA -0.164 45.229 45.100 0.488 0.000 1.000 203 G HN 1.291 nan 8.290 nan 0.000 0.516 204 D N -0.146 120.419 120.400 0.274 0.000 2.395 204 D HA 0.305 4.942 4.640 -0.005 0.000 0.213 204 D C 1.163 177.551 176.300 0.146 0.000 1.110 204 D CA 0.731 54.827 54.000 0.160 0.000 0.835 204 D CB 0.188 41.036 40.800 0.081 0.000 0.965 204 D HN 0.897 nan 8.370 nan 0.000 0.505 205 G N 0.150 109.055 108.800 0.174 0.000 2.634 205 G HA2 0.315 4.271 3.960 -0.005 0.000 0.255 205 G HA3 0.315 4.271 3.960 -0.005 0.000 0.255 205 G C -0.238 174.775 174.900 0.188 0.000 1.205 205 G CA -0.273 44.922 45.100 0.158 0.000 0.884 205 G HN 0.048 nan 8.290 nan 0.000 0.549 206 T N 0.827 115.489 114.554 0.181 0.000 2.747 206 T HA 0.540 4.887 4.350 -0.005 0.000 0.301 206 T C 0.179 175.017 174.700 0.230 0.000 0.952 206 T CA 0.109 62.340 62.100 0.219 0.000 0.983 206 T CB 0.846 69.840 68.868 0.208 0.000 0.930 206 T HN 0.803 nan 8.240 nan 0.000 0.494 207 A N 4.041 127.014 122.820 0.255 0.000 2.332 207 A HA 0.719 5.036 4.320 -0.005 0.000 0.300 207 A C -0.823 176.844 177.584 0.138 0.000 1.153 207 A CA -0.733 51.431 52.037 0.211 0.000 0.764 207 A CB 0.740 19.895 19.000 0.259 0.000 1.174 207 A HN 0.691 nan 8.150 nan 0.000 0.467 208 L N 2.880 124.167 121.223 0.107 0.000 2.307 208 L HA 0.847 5.184 4.340 -0.005 0.000 0.284 208 L C -1.624 175.293 176.870 0.078 0.000 1.023 208 L CA -0.402 54.566 54.840 0.214 0.000 0.810 208 L CB 0.582 42.828 42.059 0.312 0.000 1.231 208 L HN 0.510 nan 8.230 nan 0.000 0.423 209 F N 4.535 124.665 119.950 0.301 0.000 2.467 209 F HA 0.501 5.029 4.527 0.002 0.000 0.336 209 F C 0.229 176.141 175.800 0.186 0.000 1.123 209 F CA -0.536 57.589 58.000 0.208 0.000 0.964 209 F CB 1.473 40.529 39.000 0.093 0.000 1.136 209 F HN 0.525 nan 8.300 nan 0.000 0.447 210 N N 2.417 121.277 118.700 0.268 0.000 2.295 210 N HA 0.188 4.924 4.740 -0.005 0.000 0.293 210 N C -0.555 175.061 175.510 0.177 0.000 1.040 210 N CA -0.355 52.843 53.050 0.247 0.000 0.840 210 N CB 1.274 39.956 38.487 0.326 0.000 1.468 210 N HN 0.744 nan 8.380 nan 0.000 0.478 211 N N 1.686 120.491 118.700 0.175 0.000 2.727 211 N HA -0.176 4.561 4.740 -0.005 0.000 0.249 211 N C -1.552 174.034 175.510 0.127 0.000 1.048 211 N CA 0.511 53.645 53.050 0.140 0.000 0.714 211 N CB -1.615 36.945 38.487 0.122 0.000 0.959 211 N HN 0.435 nan 8.380 nan 0.000 0.544 212 c N 0.176 118.864 118.600 0.146 0.000 2.397 212 c HA 0.501 5.067 4.570 -0.005 0.000 0.343 212 c C 0.071 174.213 174.090 0.087 0.000 1.188 212 c CA -0.859 55.549 56.329 0.132 0.000 1.992 212 c CB 1.318 43.942 42.510 0.190 0.000 2.358 212 c HN 0.400 nan 8.230 nan 0.000 0.518 213 D N 2.267 122.704 120.400 0.061 0.000 2.329 213 D HA 0.440 5.077 4.640 -0.005 0.000 0.232 213 D C -0.586 175.728 176.300 0.023 0.000 1.088 213 D CA 0.133 54.150 54.000 0.028 0.000 0.835 213 D CB 0.817 41.621 40.800 0.006 0.000 1.078 213 D HN 0.340 nan 8.370 nan 0.000 0.495 214 L N 2.439 123.680 121.223 0.030 0.000 2.262 214 L HA 0.406 4.743 4.340 -0.005 0.000 0.288 214 L C -0.393 176.505 176.870 0.045 0.000 1.035 214 L CA -0.946 53.948 54.840 0.089 0.000 0.820 214 L CB 1.234 43.353 42.059 0.100 0.000 1.204 214 L HN -0.015 nan 8.230 nan 0.000 0.424 215 V N 2.214 122.084 119.914 -0.074 0.000 2.328 215 V HA 0.221 4.338 4.120 -0.005 0.000 0.278 215 V C 0.415 176.259 176.094 -0.416 0.000 1.021 215 V CA -0.345 61.818 62.300 -0.229 0.000 0.838 215 V CB 1.349 33.032 31.823 -0.234 0.000 0.999 215 V HN 0.740 nan 8.190 nan 0.000 0.447 216 S N 5.940 121.380 115.700 -0.433 0.000 2.474 216 S HA 0.447 4.914 4.470 -0.005 0.000 0.276 216 S C 0.258 174.553 174.600 -0.508 0.000 1.227 216 S CA -0.534 57.239 58.200 -0.713 0.000 1.050 216 S CB 0.376 62.808 63.200 -1.280 0.000 0.939 216 S HN 0.637 nan 8.310 nan 0.000 0.490 217 R N 1.435 121.774 120.500 -0.268 0.000 2.536 217 R HA 0.283 4.620 4.340 -0.005 0.000 0.279 217 R C -0.576 175.825 176.300 0.168 0.000 1.001 217 R CA -0.754 55.313 56.100 -0.054 0.000 1.027 217 R CB 0.752 31.002 30.300 -0.084 0.000 1.096 217 R HN 0.626 nan 8.270 nan 0.000 0.502 218 Y N 2.024 122.362 120.300 0.064 0.000 2.511 218 Y HA 0.009 4.556 4.550 -0.006 0.000 0.332 218 Y C -0.238 175.751 175.900 0.148 0.000 1.177 218 Y CA 0.168 58.328 58.100 0.099 0.000 1.422 218 Y CB 0.614 39.105 38.460 0.051 0.000 1.271 218 Y HN 0.236 nan 8.280 nan 0.000 0.550 219 R N 5.791 125.932 120.500 -0.600 0.000 2.272 219 R HA 0.377 4.714 4.340 -0.005 0.000 0.323 219 R C 0.474 176.302 176.300 -0.787 0.000 1.002 219 R CA 0.187 56.017 56.100 -0.449 0.000 0.900 219 R CB 1.169 31.354 30.300 -0.193 0.000 1.151 219 R HN 0.917 nan 8.270 nan 0.000 0.507 220 A N 2.360 124.837 122.820 -0.571 0.000 2.121 220 A HA -0.142 4.174 4.320 -0.005 0.000 0.218 220 A C 1.185 178.675 177.584 -0.156 0.000 1.154 220 A CA 1.385 53.252 52.037 -0.283 0.000 0.679 220 A CB -0.022 18.991 19.000 0.022 0.000 0.795 220 A HN 0.668 nan 8.150 nan 0.000 0.458 221 D N -0.915 119.396 120.400 -0.148 0.000 2.349 221 D HA 0.116 4.752 4.640 -0.005 0.000 0.214 221 D C -0.101 176.157 176.300 -0.071 0.000 1.063 221 D CA 0.055 53.997 54.000 -0.097 0.000 0.847 221 D CB -0.069 40.662 40.800 -0.114 0.000 0.933 221 D HN 0.117 nan 8.370 nan 0.000 0.513 222 V N 1.285 121.141 119.914 -0.097 0.000 2.398 222 V HA 0.163 4.280 4.120 -0.005 0.000 0.286 222 V C 0.466 176.524 176.094 -0.060 0.000 1.026 222 V CA -0.996 61.260 62.300 -0.074 0.000 0.868 222 V CB 1.707 33.473 31.823 -0.096 0.000 0.982 222 V HN -0.058 nan 8.190 nan 0.000 0.443 223 K N 2.293 122.671 120.400 -0.037 0.000 2.414 223 K HA 0.156 4.473 4.320 -0.005 0.000 0.272 223 K C 0.601 177.189 176.600 -0.020 0.000 0.993 223 K CA 0.038 56.312 56.287 -0.022 0.000 0.964 223 K CB 0.487 32.977 32.500 -0.017 0.000 0.925 223 K HN 0.657 nan 8.250 nan 0.000 0.487 224 S N 0.978 116.675 115.700 -0.006 0.000 2.575 224 S HA 0.141 4.608 4.470 -0.005 0.000 0.295 224 S C 1.176 175.769 174.600 -0.012 0.000 1.267 224 S CA 1.165 59.365 58.200 0.001 0.000 1.074 224 S CB -0.340 62.867 63.200 0.011 0.000 0.829 224 S HN 0.838 nan 8.310 nan 0.000 0.497 225 G N 4.366 113.155 108.800 -0.018 0.000 2.213 225 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.236 225 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.236 225 G C 0.032 174.900 174.900 -0.054 0.000 0.991 225 G CA -0.061 45.019 45.100 -0.034 0.000 0.629 225 G HN 0.656 nan 8.290 nan 0.000 0.517 226 N N -0.354 118.316 118.700 -0.050 0.000 2.485 226 N HA 0.606 5.343 4.740 -0.005 0.000 0.280 226 N C 0.253 175.711 175.510 -0.087 0.000 1.205 226 N CA -0.393 52.620 53.050 -0.061 0.000 0.959 226 N CB 1.589 40.052 38.487 -0.040 0.000 1.206 226 N HN 0.103 nan 8.380 nan 0.000 0.545 227 V N 1.051 120.905 119.914 -0.100 0.000 2.530 227 V HA 0.081 4.198 4.120 -0.005 0.000 0.282 227 V C 1.194 177.129 176.094 -0.265 0.000 1.048 227 V CA 0.182 62.383 62.300 -0.165 0.000 0.997 227 V CB 1.165 32.911 31.823 -0.129 0.000 0.987 227 V HN 0.692 nan 8.190 nan 0.000 0.477 228 S N 2.568 118.020 115.700 -0.414 0.000 2.439 228 S HA 0.345 4.811 4.470 -0.005 0.000 0.224 228 S C 0.682 174.791 174.600 -0.818 0.000 1.029 228 S CA 0.827 58.719 58.200 -0.513 0.000 0.946 228 S CB 0.346 63.311 63.200 -0.392 0.000 0.797 228 S HN 1.113 nan 8.310 nan 0.000 0.504 229 G N -0.624 107.367 108.800 -1.349 0.000 2.340 229 G HA2 0.535 4.491 3.960 -0.005 0.000 0.299 229 G HA3 0.535 4.491 3.960 -0.005 0.000 0.299 229 G C -2.400 171.787 174.900 -1.189 0.000 1.291 229 G CA -0.813 43.598 45.100 -1.148 0.000 0.841 229 G HN 0.155 nan 8.290 nan 0.000 0.500 230 Y N -0.562 119.755 120.300 0.029 0.000 2.396 230 Y HA 0.474 5.021 4.550 -0.006 0.000 0.332 230 Y C 0.790 176.681 175.900 -0.016 0.000 1.034 230 Y CA -0.865 57.250 58.100 0.025 0.000 1.057 230 Y CB 1.977 40.431 38.460 -0.010 0.000 1.220 230 Y HN 0.365 nan 8.280 nan 0.000 0.440 231 L N 1.371 122.579 121.223 -0.026 0.000 2.046 231 L HA -0.040 4.297 4.340 -0.005 0.000 0.208 231 L C 1.168 177.701 176.870 -0.562 0.000 1.077 231 L CA 1.727 56.253 54.840 -0.523 0.000 0.747 231 L CB -0.419 41.443 42.059 -0.328 0.000 0.896 231 L HN 0.820 nan 8.230 nan 0.000 0.432 232 T N -3.443 110.997 114.554 -0.191 0.000 2.907 232 T HA 0.786 5.132 4.350 -0.005 0.000 0.292 232 T C -0.547 174.175 174.700 0.037 0.000 1.043 232 T CA -0.343 61.699 62.100 -0.097 0.000 1.003 232 T CB 2.279 71.115 68.868 -0.054 0.000 1.084 232 T HN 0.072 nan 8.240 nan 0.000 0.483 233 A N 3.421 126.307 122.820 0.110 0.000 3.082 233 A HA 0.639 4.956 4.320 -0.005 0.000 0.328 233 A C -2.921 174.879 177.584 0.359 0.000 1.089 233 A CA -1.488 50.665 52.037 0.194 0.000 0.802 233 A CB 0.520 19.534 19.000 0.023 0.000 1.138 233 A HN 0.685 nan 8.150 nan 0.000 0.474 234 P HA 0.197 nan 4.420 nan 0.000 0.275 234 P C 0.383 177.857 177.300 0.290 0.000 1.227 234 P CA 0.026 63.324 63.100 0.330 0.000 0.781 234 P CB 1.545 33.425 31.700 0.300 0.000 0.906 235 S N -0.688 115.146 115.700 0.223 0.000 2.754 235 S HA 0.114 4.581 4.470 -0.005 0.000 0.247 235 S C 0.226 174.781 174.600 -0.076 0.000 1.031 235 S CA -0.401 57.780 58.200 -0.032 0.000 1.014 235 S CB -1.076 62.017 63.200 -0.178 0.000 0.918 235 S HN 0.364 nan 8.310 nan 0.000 0.519 236 T N 4.024 118.585 114.554 0.012 0.000 2.866 236 T HA 0.001 4.348 4.350 -0.005 0.000 0.293 236 T C 0.288 174.958 174.700 -0.050 0.000 1.005 236 T CA 0.048 62.160 62.100 0.019 0.000 1.162 236 T CB -0.080 68.831 68.868 0.072 0.000 0.968 236 T HN 0.529 nan 8.240 nan 0.000 0.530 237 N N 1.872 120.548 118.700 -0.040 0.000 2.407 237 N HA -0.052 4.685 4.740 -0.005 0.000 0.250 237 N C 1.247 176.732 175.510 -0.040 0.000 1.236 237 N CA -0.454 52.565 53.050 -0.052 0.000 0.879 237 N CB 0.409 38.878 38.487 -0.030 0.000 1.088 237 N HN 0.534 nan 8.380 nan 0.000 0.450 238 I N 3.661 124.203 120.570 -0.047 0.000 2.423 238 I HA -0.237 3.930 4.170 -0.005 0.000 0.254 238 I C 1.437 177.536 176.117 -0.030 0.000 1.151 238 I CA 1.365 62.643 61.300 -0.036 0.000 1.421 238 I CB -0.315 37.668 38.000 -0.028 0.000 1.079 238 I HN 0.569 nan 8.210 nan 0.000 0.431 239 N N 0.319 119.003 118.700 -0.027 0.000 2.412 239 N HA -0.057 4.680 4.740 -0.005 0.000 0.184 239 N C 0.595 176.085 175.510 -0.034 0.000 1.101 239 N CA 0.169 53.202 53.050 -0.028 0.000 0.881 239 N CB -0.041 38.434 38.487 -0.019 0.000 0.969 239 N HN 0.562 nan 8.380 nan 0.000 0.459 240 Q N 1.122 120.905 119.800 -0.027 0.000 2.274 240 Q HA 0.093 4.429 4.340 -0.005 0.000 0.256 240 Q C 0.881 176.845 176.000 -0.061 0.000 0.927 240 Q CA -0.329 55.462 55.803 -0.020 0.000 0.939 240 Q CB 1.393 30.141 28.738 0.016 0.000 1.201 240 Q HN -0.178 nan 8.270 nan 0.000 0.426 241 K N 3.238 123.557 120.400 -0.135 0.000 2.057 241 K HA -0.077 4.240 4.320 -0.005 0.000 0.206 241 K C -0.668 175.628 176.600 -0.506 0.000 1.050 241 K CA 1.570 57.623 56.287 -0.391 0.000 0.935 241 K CB 0.219 32.379 32.500 -0.567 0.000 0.715 241 K HN 0.552 nan 8.250 nan 0.000 0.439 242 Y N -1.351 118.994 120.300 0.075 0.000 2.409 242 Y HA 0.514 5.046 4.550 -0.030 0.000 0.343 242 Y C 0.847 176.838 175.900 0.151 0.000 0.973 242 Y CA -0.702 57.480 58.100 0.136 0.000 1.064 242 Y CB 2.282 40.819 38.460 0.129 0.000 1.207 242 Y HN 0.030 nan 8.280 nan 0.000 0.452 243 G N 1.712 110.722 108.800 0.351 0.000 3.157 243 G HA2 0.393 4.350 3.960 -0.005 0.000 0.206 243 G HA3 0.393 4.350 3.960 -0.005 0.000 0.206 243 G C -0.786 174.295 174.900 0.301 0.000 1.903 243 G CA -0.742 44.524 45.100 0.276 0.000 0.771 243 G HN 0.433 nan 8.290 nan 0.000 0.750 244 L N 1.609 122.999 121.223 0.277 0.000 2.257 244 L HA 0.536 4.873 4.340 -0.005 0.000 0.290 244 L C -0.932 176.070 176.870 0.220 0.000 1.044 244 L CA -0.583 54.426 54.840 0.282 0.000 0.810 244 L CB 1.594 43.771 42.059 0.196 0.000 1.193 244 L HN -0.044 nan 8.230 nan 0.000 0.425 245 V N 5.288 125.378 119.914 0.293 0.000 2.407 245 V HA 0.434 4.551 4.120 -0.005 0.000 0.291 245 V C -0.161 176.084 176.094 0.252 0.000 1.018 245 V CA -0.329 62.100 62.300 0.214 0.000 0.842 245 V CB 1.997 33.984 31.823 0.274 0.000 0.996 245 V HN 0.486 nan 8.190 nan 0.000 0.426 246 I N 4.825 125.420 120.570 0.042 0.000 2.355 246 I HA 0.583 4.750 4.170 -0.005 0.000 0.288 246 I C 0.330 176.547 176.117 0.167 0.000 0.999 246 I CA 0.084 61.434 61.300 0.083 0.000 1.163 246 I CB 2.147 40.002 38.000 -0.242 0.000 1.316 246 I HN 0.765 nan 8.210 nan 0.000 0.454 247 T N 0.920 115.617 114.554 0.238 0.000 2.876 247 T HA 0.465 4.812 4.350 -0.005 0.000 0.289 247 T C 0.038 174.876 174.700 0.229 0.000 1.014 247 T CA -0.874 61.366 62.100 0.234 0.000 0.986 247 T CB 1.033 70.035 68.868 0.224 0.000 1.021 247 T HN 0.666 nan 8.240 nan 0.000 0.458 248 N N 0.677 119.512 118.700 0.226 0.000 2.721 248 N HA -0.163 4.574 4.740 -0.005 0.000 0.249 248 N C -0.258 175.365 175.510 0.189 0.000 1.072 248 N CA 0.791 53.967 53.050 0.210 0.000 0.710 248 N CB -1.076 37.521 38.487 0.183 0.000 0.993 248 N HN 0.620 nan 8.380 nan 0.000 0.547 249 S N -0.440 115.368 115.700 0.179 0.000 2.798 249 S HA 0.671 5.138 4.470 -0.005 0.000 0.312 249 S C 0.107 174.749 174.600 0.070 0.000 1.122 249 S CA -0.822 57.460 58.200 0.136 0.000 0.949 249 S CB 1.812 65.104 63.200 0.153 0.000 1.235 249 S HN 0.203 nan 8.310 nan 0.000 0.552 250 R N 0.660 121.181 120.500 0.037 0.000 2.502 250 R HA 0.529 4.866 4.340 -0.005 0.000 0.300 250 R C -1.742 174.539 176.300 -0.031 0.000 0.984 250 R CA -0.435 55.648 56.100 -0.028 0.000 0.882 250 R CB 1.711 32.004 30.300 -0.013 0.000 1.180 250 R HN 0.287 nan 8.270 nan 0.000 0.444 251 V N 6.013 125.879 119.914 -0.080 0.000 2.334 251 V HA 0.380 4.497 4.120 -0.005 0.000 0.267 251 V C 0.171 176.281 176.094 0.026 0.000 1.040 251 V CA -0.387 61.880 62.300 -0.056 0.000 0.866 251 V CB 0.475 32.181 31.823 -0.194 0.000 1.019 251 V HN 0.611 nan 8.190 nan 0.000 0.468 252 I N 3.000 123.571 120.570 0.001 0.000 2.785 252 I HA 0.789 4.955 4.170 -0.005 0.000 0.302 252 I C -0.067 175.814 176.117 -0.393 0.000 1.069 252 I CA -1.344 59.894 61.300 -0.103 0.000 1.045 252 I CB 2.185 40.122 38.000 -0.105 0.000 1.236 252 I HN 0.586 nan 8.210 nan 0.000 0.429 253 R N 2.400 122.562 120.500 -0.563 0.000 2.410 253 R HA 0.288 4.625 4.340 -0.005 0.000 0.288 253 R C 0.507 176.610 176.300 -0.328 0.000 1.051 253 R CA -0.572 55.141 56.100 -0.645 0.000 1.021 253 R CB 1.566 31.525 30.300 -0.568 0.000 1.032 253 R HN 0.874 nan 8.270 nan 0.000 0.481 254 E N 1.599 121.632 120.200 -0.279 0.000 2.110 254 E HA -0.140 4.207 4.350 -0.005 0.000 0.193 254 E C -0.273 176.250 176.600 -0.128 0.000 0.988 254 E CA 1.282 57.577 56.400 -0.176 0.000 0.804 254 E CB 0.290 29.909 29.700 -0.135 0.000 0.745 254 E HN 0.743 nan 8.360 nan 0.000 0.458 255 S N -1.423 114.205 115.700 -0.121 0.000 2.615 255 S HA 0.170 4.636 4.470 -0.005 0.000 0.269 255 S C -0.288 174.254 174.600 -0.096 0.000 1.161 255 S CA -0.729 57.407 58.200 -0.106 0.000 0.817 255 S CB 1.181 64.309 63.200 -0.120 0.000 1.131 255 S HN -0.022 nan 8.310 nan 0.000 0.467 256 D N 1.290 121.637 120.400 -0.088 0.000 2.378 256 D HA 0.075 4.712 4.640 -0.005 0.000 0.222 256 D C 1.292 177.562 176.300 -0.049 0.000 0.980 256 D CA 0.840 54.802 54.000 -0.063 0.000 0.907 256 D CB -0.175 40.591 40.800 -0.055 0.000 0.899 256 D HN 0.466 nan 8.370 nan 0.000 0.527 257 S N -0.280 115.368 115.700 -0.087 0.000 2.527 257 S HA 0.017 4.484 4.470 -0.005 0.000 0.222 257 S C 0.978 175.669 174.600 0.151 0.000 0.985 257 S CA -0.102 58.051 58.200 -0.078 0.000 0.921 257 S CB 0.592 63.534 63.200 -0.430 0.000 0.772 257 S HN 0.027 nan 8.310 nan 0.000 0.529 258 V N 4.786 124.787 119.914 0.145 0.000 2.421 258 V HA 0.148 4.264 4.120 -0.005 0.000 0.271 258 V C -2.228 173.955 176.094 0.147 0.000 1.031 258 V CA -1.636 60.785 62.300 0.201 0.000 1.032 258 V CB -0.078 31.785 31.823 0.066 0.000 1.009 258 V HN 0.154 nan 8.190 nan 0.000 0.477 259 P HA 0.227 nan 4.420 nan 0.000 0.272 259 P C -0.151 177.236 177.300 0.145 0.000 1.230 259 P CA -0.186 62.992 63.100 0.130 0.000 0.788 259 P CB 0.535 32.301 31.700 0.110 0.000 0.949 260 A N 2.262 125.145 122.820 0.105 0.000 2.531 260 A HA 0.070 4.387 4.320 -0.005 0.000 0.236 260 A C 0.409 178.063 177.584 0.117 0.000 1.062 260 A CA 0.052 52.151 52.037 0.104 0.000 0.760 260 A CB -0.799 18.238 19.000 0.062 0.000 0.995 260 A HN 0.660 nan 8.150 nan 0.000 0.501 261 K N 0.351 120.834 120.400 0.137 0.000 3.150 261 K HA -0.182 4.135 4.320 -0.005 0.000 0.267 261 K C 0.788 177.553 176.600 0.275 0.000 1.028 261 K CA 0.870 57.278 56.287 0.202 0.000 0.753 261 K CB -1.942 30.627 32.500 0.115 0.000 1.288 261 K HN 1.000 nan 8.250 nan 0.000 0.473 262 S N -1.708 114.169 115.700 0.295 0.000 2.526 262 S HA 0.114 4.581 4.470 -0.005 0.000 0.220 262 S C 0.109 174.785 174.600 0.127 0.000 1.017 262 S CA -0.291 58.033 58.200 0.207 0.000 0.930 262 S CB 0.225 63.538 63.200 0.189 0.000 0.856 262 S HN 0.318 nan 8.310 nan 0.000 0.497 263 Y N 1.456 121.790 120.300 0.058 0.000 2.391 263 Y HA 0.685 5.231 4.550 -0.006 0.000 0.341 263 Y C 0.666 176.081 175.900 -0.809 0.000 0.965 263 Y CA -0.726 57.238 58.100 -0.227 0.000 1.067 263 Y CB 1.787 40.183 38.460 -0.108 0.000 1.199 263 Y HN 0.234 nan 8.280 nan 0.000 0.450 264 G N 2.823 111.237 108.800 -0.643 0.000 2.400 264 G HA2 0.370 4.327 3.960 -0.005 0.000 0.301 264 G HA3 0.370 4.327 3.960 -0.005 0.000 0.301 264 G C 0.511 175.154 174.900 -0.428 0.000 1.154 264 G CA -0.548 44.112 45.100 -0.734 0.000 0.852 264 G HN 0.843 nan 8.290 nan 0.000 0.511 265 L N 0.968 121.788 121.223 -0.672 0.000 2.141 265 L HA 0.208 4.545 4.340 -0.005 0.000 0.209 265 L C 1.493 178.182 176.870 -0.301 0.000 1.094 265 L CA 1.273 55.676 54.840 -0.727 0.000 0.763 265 L CB -0.343 40.764 42.059 -1.588 0.000 0.908 265 L HN 0.698 nan 8.230 nan 0.000 0.437 266 G N -0.382 108.346 108.800 -0.120 0.000 2.519 266 G HA2 0.509 4.466 3.960 -0.005 0.000 0.292 266 G HA3 0.509 4.466 3.960 -0.005 0.000 0.292 266 G C -1.669 173.283 174.900 0.087 0.000 1.507 266 G CA -0.851 44.260 45.100 0.018 0.000 0.806 266 G HN 0.114 nan 8.290 nan 0.000 0.523 267 R N -0.094 120.493 120.500 0.146 0.000 2.740 267 R HA 0.753 5.090 4.340 -0.005 0.000 0.273 267 R C -3.130 173.461 176.300 0.486 0.000 0.998 267 R CA -1.978 54.313 56.100 0.318 0.000 0.900 267 R CB 2.699 33.002 30.300 0.005 0.000 1.223 267 R HN 0.328 nan 8.270 nan 0.000 0.466 268 P HA 0.064 nan 4.420 nan 0.000 0.286 268 P C -1.333 176.215 177.300 0.414 0.000 1.321 268 P CA -0.231 63.136 63.100 0.446 0.000 0.790 268 P CB 0.240 32.136 31.700 0.326 0.000 0.897 269 W N 6.235 127.597 121.300 0.103 0.000 2.358 269 W HA 0.188 4.844 4.660 -0.008 0.000 0.307 269 W C -0.475 175.974 176.519 -0.115 0.000 1.203 269 W CA -0.212 57.155 57.345 0.036 0.000 1.279 269 W CB -0.076 29.408 29.460 0.041 0.000 1.264 269 W HN 0.447 nan 8.180 nan 0.000 0.474 270 H N 7.820 126.652 119.070 -0.397 0.000 2.700 270 H HA 0.225 4.780 4.556 -0.001 0.000 0.269 270 H C -2.030 172.924 175.328 -0.623 0.000 1.222 270 H CA -1.686 53.978 56.048 -0.639 0.000 1.254 270 H CB 0.624 29.764 29.762 -1.037 0.000 1.413 270 H HN 0.049 nan 8.280 nan 0.000 0.507 271 P HA -0.039 nan 4.420 nan 0.000 0.268 271 P C 0.087 177.236 177.300 -0.253 0.000 1.205 271 P CA -0.022 62.590 63.100 -0.814 0.000 0.771 271 P CB 0.594 31.643 31.700 -1.084 0.000 0.858 272 T N 3.181 117.708 114.554 -0.044 0.000 2.831 272 T HA 0.203 4.550 4.350 -0.005 0.000 0.291 272 T C 0.207 174.834 174.700 -0.122 0.000 0.981 272 T CA 0.623 62.717 62.100 -0.009 0.000 1.174 272 T CB -0.602 68.304 68.868 0.063 0.000 0.929 272 T HN 0.345 nan 8.240 nan 0.000 0.532 273 T N 2.967 117.380 114.554 -0.236 0.000 2.912 273 T HA 0.346 4.692 4.350 -0.005 0.000 0.299 273 T C -0.002 174.278 174.700 -0.699 0.000 1.052 273 T CA -0.735 61.066 62.100 -0.498 0.000 0.996 273 T CB 1.640 70.093 68.868 -0.692 0.000 1.070 273 T HN 0.441 nan 8.240 nan 0.000 0.465 274 T N 3.698 117.898 114.554 -0.589 0.000 2.737 274 T HA 0.509 4.856 4.350 -0.005 0.000 0.296 274 T C -0.579 173.733 174.700 -0.647 0.000 0.922 274 T CA 0.021 61.853 62.100 -0.448 0.000 1.079 274 T CB -0.340 68.395 68.868 -0.221 0.000 0.892 274 T HN 0.275 nan 8.240 nan 0.000 0.514 275 F N 0.746 120.589 119.950 -0.179 0.000 2.572 275 F HA 0.352 4.874 4.527 -0.008 0.000 0.342 275 F C 1.956 177.747 175.800 -0.015 0.000 1.064 275 F CA -1.159 56.775 58.000 -0.111 0.000 1.008 275 F CB 0.912 39.819 39.000 -0.155 0.000 1.303 275 F HN 0.537 nan 8.300 nan 0.000 0.492 276 S N -0.578 115.262 115.700 0.234 0.000 2.400 276 S HA -0.199 4.267 4.470 -0.005 0.000 0.232 276 S C 0.869 175.564 174.600 0.158 0.000 1.025 276 S CA 1.579 59.867 58.200 0.146 0.000 0.993 276 S CB -0.611 62.658 63.200 0.114 0.000 0.808 276 S HN 0.737 nan 8.310 nan 0.000 0.478 277 D N 0.592 121.132 120.400 0.234 0.000 2.427 277 D HA 0.449 5.085 4.640 -0.005 0.000 0.224 277 D C 0.843 177.335 176.300 0.320 0.000 1.157 277 D CA 0.301 54.433 54.000 0.220 0.000 0.828 277 D CB -0.077 40.822 40.800 0.165 0.000 0.974 277 D HN 0.635 nan 8.370 nan 0.000 0.498 278 G N 0.252 109.246 108.800 0.323 0.000 2.353 278 G HA2 -0.037 3.920 3.960 -0.005 0.000 0.615 278 G HA3 -0.037 3.920 3.960 -0.005 0.000 0.615 278 G C -1.518 173.552 174.900 0.284 0.000 1.280 278 G CA -1.063 44.222 45.100 0.308 0.000 1.000 278 G HN 0.360 nan 8.290 nan 0.000 0.516 279 R N 0.456 121.099 120.500 0.238 0.000 2.310 279 R HA 0.725 5.062 4.340 -0.005 0.000 0.324 279 R C -0.444 175.993 176.300 0.229 0.000 0.955 279 R CA -0.755 55.395 56.100 0.084 0.000 0.830 279 R CB 0.575 30.896 30.300 0.034 0.000 1.154 279 R HN 1.080 nan 8.270 nan 0.000 0.458 280 Y N 0.438 120.847 120.300 0.181 0.000 2.750 280 Y HA 0.579 5.127 4.550 -0.003 0.000 0.335 280 Y C -1.207 174.826 175.900 0.222 0.000 1.252 280 Y CA -1.509 56.696 58.100 0.175 0.000 1.064 280 Y CB 0.464 39.018 38.460 0.156 0.000 1.321 280 Y HN 0.509 nan 8.280 nan 0.000 0.451 281 A N 1.657 124.722 122.820 0.408 0.000 2.524 281 A HA 0.166 4.483 4.320 -0.005 0.000 0.250 281 A C -0.184 177.596 177.584 0.328 0.000 1.078 281 A CA 0.374 52.589 52.037 0.298 0.000 0.761 281 A CB -0.411 18.824 19.000 0.392 0.000 1.012 281 A HN 0.628 nan 8.150 nan 0.000 0.500 282 D N 3.753 124.254 120.400 0.167 0.000 2.363 282 D HA 0.164 4.801 4.640 -0.005 0.000 0.263 282 D C -1.514 174.894 176.300 0.180 0.000 1.258 282 D CA -1.688 52.447 54.000 0.225 0.000 0.907 282 D CB 0.967 41.814 40.800 0.077 0.000 1.107 282 D HN 0.191 nan 8.370 nan 0.000 0.495 283 P HA -0.048 nan 4.420 nan 0.000 0.221 283 P C 0.489 177.873 177.300 0.139 0.000 1.150 283 P CA 0.687 63.904 63.100 0.195 0.000 0.800 283 P CB 0.321 32.085 31.700 0.107 0.000 0.787 284 N N -0.626 118.102 118.700 0.046 0.000 2.336 284 N HA 0.096 4.833 4.740 -0.005 0.000 0.189 284 N C 0.471 175.918 175.510 -0.104 0.000 1.113 284 N CA 0.089 53.133 53.050 -0.009 0.000 0.858 284 N CB 0.015 38.503 38.487 0.001 0.000 0.970 284 N HN 0.020 nan 8.380 nan 0.000 0.471 285 A N 1.295 123.974 122.820 -0.234 0.000 2.915 285 A HA 0.320 4.636 4.320 -0.005 0.000 0.292 285 A C 0.210 177.374 177.584 -0.700 0.000 1.632 285 A CA -0.237 51.541 52.037 -0.432 0.000 1.337 285 A CB -1.023 17.660 19.000 -0.528 0.000 1.111 285 A HN 0.154 nan 8.150 nan 0.000 0.569 286 I N 2.811 123.174 120.570 -0.344 0.000 2.313 286 I HA 0.232 4.399 4.170 -0.005 0.000 0.286 286 I C 1.195 177.201 176.117 -0.186 0.000 1.091 286 I CA -0.291 60.856 61.300 -0.255 0.000 1.216 286 I CB 1.047 38.988 38.000 -0.099 0.000 1.434 286 I HN 0.583 nan 8.210 nan 0.000 0.487 287 G N 4.484 113.173 108.800 -0.186 0.000 2.544 287 G HA2 0.136 4.093 3.960 -0.005 0.000 0.242 287 G HA3 0.136 4.093 3.960 -0.005 0.000 0.242 287 G C -0.547 174.382 174.900 0.048 0.000 1.247 287 G CA -0.214 44.881 45.100 -0.008 0.000 0.840 287 G HN 0.606 nan 8.290 nan 0.000 0.578 288 Q N 0.075 119.974 119.800 0.164 0.000 2.331 288 Q HA 0.489 4.825 4.340 -0.005 0.000 0.267 288 Q C -1.159 175.020 176.000 0.297 0.000 1.006 288 Q CA -0.486 55.456 55.803 0.233 0.000 0.818 288 Q CB 1.474 30.353 28.738 0.235 0.000 1.276 288 Q HN 0.424 nan 8.270 nan 0.000 0.450 289 T N 2.966 117.721 114.554 0.336 0.000 2.881 289 T HA 0.469 4.816 4.350 -0.005 0.000 0.291 289 T C -1.116 173.703 174.700 0.199 0.000 0.990 289 T CA -0.423 61.793 62.100 0.194 0.000 0.976 289 T CB 1.375 70.345 68.868 0.171 0.000 0.970 289 T HN 0.369 nan 8.240 nan 0.000 0.438 290 V N 4.097 124.043 119.914 0.054 0.000 2.531 290 V HA 0.555 4.671 4.120 -0.005 0.000 0.301 290 V C -1.041 174.991 176.094 -0.103 0.000 1.034 290 V CA -0.924 61.412 62.300 0.059 0.000 0.865 290 V CB 1.329 33.045 31.823 -0.178 0.000 0.995 290 V HN 0.816 nan 8.190 nan 0.000 0.424 291 F N 5.301 125.364 119.950 0.188 0.000 2.415 291 F HA 0.737 5.265 4.527 0.001 0.000 0.348 291 F C -0.214 175.679 175.800 0.156 0.000 1.119 291 F CA -0.565 57.516 58.000 0.134 0.000 1.069 291 F CB 1.561 40.608 39.000 0.078 0.000 1.124 291 F HN 0.218 nan 8.300 nan 0.000 0.472 292 L N 2.953 124.367 121.223 0.318 0.000 2.385 292 L HA 0.414 4.751 4.340 -0.005 0.000 0.273 292 L C -0.170 176.892 176.870 0.321 0.000 0.990 292 L CA -0.882 54.162 54.840 0.340 0.000 0.821 292 L CB 1.696 43.926 42.059 0.285 0.000 1.279 292 L HN 0.608 nan 8.230 nan 0.000 0.412 293 N N 0.162 119.053 118.700 0.318 0.000 2.714 293 N HA -0.184 4.553 4.740 -0.005 0.000 0.252 293 N C -0.752 174.970 175.510 0.352 0.000 1.014 293 N CA 0.970 54.201 53.050 0.302 0.000 0.735 293 N CB -0.865 37.778 38.487 0.260 0.000 0.924 293 N HN 0.677 nan 8.380 nan 0.000 0.540 294 T N -0.174 114.533 114.554 0.255 0.000 2.829 294 T HA 0.497 4.844 4.350 -0.005 0.000 0.280 294 T C 0.325 174.835 174.700 -0.317 0.000 0.999 294 T CA -0.712 61.437 62.100 0.083 0.000 0.983 294 T CB 1.349 70.323 68.868 0.177 0.000 0.968 294 T HN 0.275 nan 8.240 nan 0.000 0.446 295 S N 3.650 118.978 115.700 -0.620 0.000 2.584 295 S HA 0.701 5.168 4.470 -0.005 0.000 0.273 295 S C -0.327 173.989 174.600 -0.474 0.000 1.311 295 S CA -0.771 56.845 58.200 -0.974 0.000 1.034 295 S CB 0.261 62.925 63.200 -0.893 0.000 0.939 295 S HN 0.655 nan 8.310 nan 0.000 0.513 296 M N 2.454 121.802 119.600 -0.419 0.000 2.271 296 M HA 0.348 4.825 4.480 -0.005 0.000 0.285 296 M C -0.989 175.184 176.300 -0.213 0.000 1.059 296 M CA -0.658 54.450 55.300 -0.320 0.000 0.940 296 M CB 2.133 34.488 32.600 -0.408 0.000 1.636 296 M HN 0.700 nan 8.290 nan 0.000 0.460 297 D N 1.400 121.749 120.400 -0.085 0.000 2.398 297 D HA 0.105 4.741 4.640 -0.005 0.000 0.247 297 D C 0.777 177.069 176.300 -0.013 0.000 1.227 297 D CA 0.234 54.247 54.000 0.022 0.000 0.980 297 D CB 0.865 41.751 40.800 0.143 0.000 1.106 297 D HN 0.710 nan 8.370 nan 0.000 0.493 298 N N 0.583 119.306 118.700 0.039 0.000 2.515 298 N HA -0.172 4.565 4.740 -0.005 0.000 0.191 298 N C 1.281 176.813 175.510 0.038 0.000 1.182 298 N CA 0.683 53.732 53.050 -0.002 0.000 0.879 298 N CB -0.540 37.954 38.487 0.011 0.000 0.984 298 N HN 0.477 nan 8.380 nan 0.000 0.453 299 H N -0.514 118.531 119.070 -0.042 0.000 2.491 299 H HA 0.059 4.612 4.556 -0.006 0.000 0.290 299 H C 0.172 175.506 175.328 0.010 0.000 1.050 299 H CA -0.007 56.049 56.048 0.014 0.000 1.309 299 H CB -0.146 29.620 29.762 0.006 0.000 1.392 299 H HN 0.086 nan 8.280 nan 0.000 0.554 300 I N 3.034 123.281 120.570 -0.538 0.000 2.471 300 I HA -0.091 4.076 4.170 -0.005 0.000 0.286 300 I C 0.972 176.916 176.117 -0.289 0.000 1.079 300 I CA -0.313 60.661 61.300 -0.544 0.000 1.398 300 I CB 0.248 37.848 38.000 -0.668 0.000 1.403 300 I HN 0.276 nan 8.210 nan 0.000 0.530 301 Y N 4.283 124.465 120.300 -0.196 0.000 2.481 301 Y HA 0.604 5.151 4.550 -0.004 0.000 0.258 301 Y C 0.942 176.751 175.900 -0.151 0.000 1.103 301 Y CA 0.004 58.024 58.100 -0.134 0.000 1.287 301 Y CB -0.100 38.316 38.460 -0.073 0.000 1.108 301 Y HN 0.655 nan 8.280 nan 0.000 0.529 302 G N -0.609 107.929 108.800 -0.436 0.000 2.236 302 G HA2 -0.053 3.904 3.960 -0.005 0.000 0.231 302 G HA3 -0.053 3.904 3.960 -0.005 0.000 0.231 302 G C -1.530 173.064 174.900 -0.509 0.000 1.334 302 G CA -0.896 43.973 45.100 -0.385 0.000 1.137 302 G HN 0.213 nan 8.290 nan 0.000 0.482 303 W N 0.439 121.750 121.300 0.018 0.000 2.390 303 W HA 0.734 5.390 4.660 -0.006 0.000 0.362 303 W C 0.097 176.762 176.519 0.244 0.000 1.206 303 W CA 0.045 57.420 57.345 0.050 0.000 1.355 303 W CB 1.221 30.756 29.460 0.126 0.000 1.278 303 W HN 0.598 nan 8.180 nan 0.000 0.653 304 D N -0.443 120.279 120.400 0.537 0.000 2.579 304 D HA 0.245 4.882 4.640 -0.005 0.000 0.257 304 D C -1.011 175.527 176.300 0.397 0.000 1.176 304 D CA -0.703 53.571 54.000 0.456 0.000 0.914 304 D CB 1.909 43.024 40.800 0.524 0.000 1.431 304 D HN 0.382 nan 8.370 nan 0.000 0.454 305 K N -0.026 120.565 120.400 0.318 0.000 2.109 305 K HA 0.698 5.015 4.320 -0.005 0.000 0.243 305 K C -0.492 176.346 176.600 0.395 0.000 1.006 305 K CA -0.738 55.763 56.287 0.356 0.000 0.917 305 K CB 1.978 34.658 32.500 0.300 0.000 1.081 305 K HN 0.413 nan 8.250 nan 0.000 0.468 306 M N 1.336 121.227 119.600 0.485 0.000 2.421 306 M HA 0.191 4.667 4.480 -0.005 0.000 0.287 306 M C -1.490 174.936 176.300 0.211 0.000 1.183 306 M CA -0.420 55.082 55.300 0.338 0.000 0.916 306 M CB 2.587 35.340 32.600 0.255 0.000 1.701 306 M HN 0.992 nan 8.290 nan 0.000 0.470 307 S N 2.093 117.629 115.700 -0.275 0.000 2.608 307 S HA 1.006 5.473 4.470 -0.005 0.000 0.291 307 S C -0.314 174.176 174.600 -0.184 0.000 1.146 307 S CA -0.194 57.582 58.200 -0.707 0.000 1.043 307 S CB 1.910 64.139 63.200 -1.618 0.000 1.037 307 S HN 0.953 nan 8.310 nan 0.000 0.520 308 G N 0.895 109.617 108.800 -0.130 0.000 2.870 308 G HA2 0.629 4.586 3.960 -0.005 0.000 0.299 308 G HA3 0.629 4.586 3.960 -0.005 0.000 0.299 308 G C -1.703 173.183 174.900 -0.022 0.000 1.324 308 G CA -0.899 44.246 45.100 0.077 0.000 0.808 308 G HN 0.587 nan 8.290 nan 0.000 0.535 309 K N 1.254 121.699 120.400 0.075 0.000 2.244 309 K HA 0.398 4.715 4.320 -0.005 0.000 0.260 309 K C -0.626 176.045 176.600 0.119 0.000 0.951 309 K CA -0.586 55.731 56.287 0.049 0.000 0.826 309 K CB 2.039 34.577 32.500 0.062 0.000 1.108 309 K HN 0.789 nan 8.250 nan 0.000 0.433 310 D N 0.567 120.984 120.400 0.029 0.000 2.478 310 D HA 0.042 4.679 4.640 -0.005 0.000 0.269 310 D C 0.833 177.064 176.300 -0.115 0.000 1.232 310 D CA -0.350 53.641 54.000 -0.014 0.000 1.059 310 D CB 0.592 41.332 40.800 -0.100 0.000 1.104 310 D HN 0.420 nan 8.370 nan 0.000 0.566 311 K N -0.843 119.272 120.400 -0.476 0.000 2.360 311 K HA -0.088 4.229 4.320 -0.005 0.000 0.201 311 K C 0.482 176.936 176.600 -0.244 0.000 1.046 311 K CA 0.902 56.771 56.287 -0.696 0.000 0.945 311 K CB -0.344 31.532 32.500 -1.040 0.000 0.750 311 K HN 0.191 nan 8.250 nan 0.000 0.464 312 N N 0.279 118.883 118.700 -0.160 0.000 2.236 312 N HA 0.055 4.792 4.740 -0.005 0.000 0.196 312 N C 0.826 176.312 175.510 -0.041 0.000 1.114 312 N CA 0.876 53.875 53.050 -0.084 0.000 0.859 312 N CB 1.229 39.667 38.487 -0.082 0.000 0.982 312 N HN 0.529 nan 8.380 nan 0.000 0.493 313 G N 0.891 109.675 108.800 -0.027 0.000 2.175 313 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.244 313 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.244 313 G C -0.164 174.727 174.900 -0.015 0.000 0.982 313 G CA -0.253 44.847 45.100 -0.001 0.000 0.641 313 G HN 0.372 nan 8.290 nan 0.000 0.527 314 N N 0.770 119.449 118.700 -0.036 0.000 2.515 314 N HA 0.515 5.252 4.740 -0.005 0.000 0.279 314 N C 0.389 175.857 175.510 -0.070 0.000 1.164 314 N CA 0.243 53.266 53.050 -0.045 0.000 0.982 314 N CB 0.638 39.096 38.487 -0.048 0.000 1.170 314 N HN 0.114 nan 8.380 nan 0.000 0.474 315 T N 1.473 115.977 114.554 -0.083 0.000 2.902 315 T HA 0.147 4.494 4.350 -0.005 0.000 0.301 315 T C 0.067 174.638 174.700 -0.215 0.000 1.012 315 T CA 0.287 62.286 62.100 -0.168 0.000 1.151 315 T CB -0.123 68.654 68.868 -0.152 0.000 0.946 315 T HN 0.319 nan 8.240 nan 0.000 0.542 316 I N 2.557 122.910 120.570 -0.361 0.000 2.545 316 I HA 0.536 4.702 4.170 -0.005 0.000 0.292 316 I C -1.565 174.112 176.117 -0.733 0.000 1.040 316 I CA -1.261 59.764 61.300 -0.458 0.000 1.068 316 I CB 1.504 39.217 38.000 -0.479 0.000 1.251 316 I HN 0.655 nan 8.210 nan 0.000 0.424 317 W N 6.647 127.648 121.300 -0.499 0.000 2.433 317 W HA 0.501 5.158 4.660 -0.006 0.000 0.315 317 W C -1.125 175.040 176.519 -0.589 0.000 1.087 317 W CA -0.336 56.770 57.345 -0.397 0.000 1.205 317 W CB 1.357 30.713 29.460 -0.173 0.000 1.288 317 W HN 0.180 nan 8.180 nan 0.000 0.504 318 F N 3.699 123.740 119.950 0.151 0.000 2.427 318 F HA 0.354 4.880 4.527 -0.001 0.000 0.346 318 F C 0.415 176.302 175.800 0.145 0.000 1.120 318 F CA -0.967 57.052 58.000 0.032 0.000 1.033 318 F CB 0.650 39.560 39.000 -0.150 0.000 1.126 318 F HN 0.201 nan 8.300 nan 0.000 0.462 319 N N 4.880 123.722 118.700 0.236 0.000 2.456 319 N HA 0.290 5.027 4.740 -0.005 0.000 0.296 319 N C -1.865 173.706 175.510 0.102 0.000 1.102 319 N CA -1.746 51.405 53.050 0.169 0.000 0.924 319 N CB 1.663 40.206 38.487 0.093 0.000 1.186 319 N HN 0.210 nan 8.380 nan 0.000 0.492 320 P HA -0.152 nan 4.420 nan 0.000 0.218 320 P C 0.931 178.134 177.300 -0.162 0.000 1.149 320 P CA 1.305 64.456 63.100 0.085 0.000 0.817 320 P CB 0.344 32.295 31.700 0.418 0.000 0.785 321 E N 0.248 120.416 120.200 -0.054 0.000 2.268 321 E HA -0.166 4.180 4.350 -0.005 0.000 0.195 321 E C 0.617 177.143 176.600 -0.123 0.000 0.995 321 E CA 1.034 57.383 56.400 -0.085 0.000 0.836 321 E CB -0.842 28.853 29.700 -0.009 0.000 0.763 321 E HN 0.253 nan 8.360 nan 0.000 0.491 322 D N 0.654 120.984 120.400 -0.117 0.000 2.349 322 D HA 0.133 4.770 4.640 -0.005 0.000 0.214 322 D C 0.045 176.234 176.300 -0.185 0.000 1.063 322 D CA 0.135 54.080 54.000 -0.092 0.000 0.847 322 D CB 0.605 41.403 40.800 -0.004 0.000 0.933 322 D HN 0.010 nan 8.370 nan 0.000 0.513 323 S N -0.228 115.220 115.700 -0.420 0.000 2.747 323 S HA 0.442 4.909 4.470 -0.005 0.000 0.300 323 S C 0.497 174.641 174.600 -0.760 0.000 1.121 323 S CA -0.788 56.996 58.200 -0.693 0.000 0.995 323 S CB 1.883 64.288 63.200 -1.325 0.000 1.113 323 S HN -0.041 nan 8.310 nan 0.000 0.547 324 R N 0.971 121.099 120.500 -0.620 0.000 3.956 324 R HA 0.274 4.610 4.340 -0.005 0.000 0.237 324 R C -1.385 174.690 176.300 -0.374 0.000 1.552 324 R CA -0.014 55.899 56.100 -0.312 0.000 1.529 324 R CB -0.320 30.032 30.300 0.086 0.000 1.376 324 R HN 0.274 nan 8.270 nan 0.000 0.733 325 F N 1.815 121.103 119.950 -1.104 0.000 2.375 325 F HA 0.443 4.965 4.527 -0.009 0.000 0.361 325 F C -0.132 174.879 175.800 -1.315 0.000 1.117 325 F CA -1.570 55.597 58.000 -1.390 0.000 1.037 325 F CB 0.407 38.099 39.000 -2.180 0.000 1.192 325 F HN 0.072 nan 8.300 nan 0.000 0.452 326 F N 0.576 120.583 119.950 0.094 0.000 2.613 326 F HA 0.584 5.106 4.527 -0.009 0.000 0.314 326 F C -0.205 175.859 175.800 0.439 0.000 1.075 326 F CA -1.009 57.139 58.000 0.246 0.000 0.945 326 F CB 2.044 41.116 39.000 0.120 0.000 1.310 326 F HN 0.260 nan 8.300 nan 0.000 0.467 327 E N 0.147 120.701 120.200 0.591 0.000 2.369 327 E HA 0.451 4.798 4.350 -0.005 0.000 0.270 327 E C -2.087 174.760 176.600 0.412 0.000 0.909 327 E CA -1.090 55.592 56.400 0.469 0.000 0.775 327 E CB 3.284 33.196 29.700 0.353 0.000 1.270 327 E HN 0.545 nan 8.360 nan 0.000 0.445 328 Y N 1.408 121.831 120.300 0.205 0.000 2.332 328 Y HA 0.201 4.750 4.550 -0.003 0.000 0.325 328 Y C -0.915 175.078 175.900 0.154 0.000 1.054 328 Y CA -0.861 57.332 58.100 0.156 0.000 1.119 328 Y CB 0.831 39.365 38.460 0.123 0.000 1.168 328 Y HN 0.539 nan 8.280 nan 0.000 0.439 329 K N 2.757 122.968 120.400 -0.316 0.000 3.077 329 K HA -0.161 4.156 4.320 -0.005 0.000 0.264 329 K C -0.285 176.341 176.600 0.043 0.000 1.008 329 K CA 1.028 57.168 56.287 -0.244 0.000 0.740 329 K CB -1.478 30.741 32.500 -0.469 0.000 1.273 329 K HN 0.625 nan 8.250 nan 0.000 0.477 330 S N 0.202 115.943 115.700 0.069 0.000 2.573 330 S HA 0.313 4.780 4.470 -0.005 0.000 0.277 330 S C -0.005 174.682 174.600 0.146 0.000 1.346 330 S CA -0.183 58.059 58.200 0.070 0.000 1.034 330 S CB 0.212 63.382 63.200 -0.049 0.000 0.879 330 S HN 0.380 nan 8.310 nan 0.000 0.528 331 Y N -1.646 118.622 120.300 -0.054 0.000 2.715 331 Y HA 0.810 5.356 4.550 -0.006 0.000 0.331 331 Y C 0.020 175.889 175.900 -0.053 0.000 1.197 331 Y CA -0.804 57.268 58.100 -0.047 0.000 1.079 331 Y CB 0.429 38.870 38.460 -0.031 0.000 1.298 331 Y HN 1.087 nan 8.280 nan 0.000 0.477 332 G N -0.348 108.471 108.800 0.033 0.000 2.746 332 G HA2 0.262 4.219 3.960 -0.005 0.000 0.685 332 G HA3 0.262 4.219 3.960 -0.005 0.000 0.685 332 G C 0.529 175.394 174.900 -0.058 0.000 1.350 332 G CA -0.032 45.032 45.100 -0.059 0.000 0.837 332 G HN 1.760 nan 8.290 nan 0.000 0.564 333 A N -0.322 122.469 122.820 -0.048 0.000 2.024 333 A HA 0.277 4.594 4.320 -0.005 0.000 0.220 333 A C 2.633 180.175 177.584 -0.070 0.000 1.164 333 A CA 2.522 54.536 52.037 -0.039 0.000 0.643 333 A CB -0.555 18.433 19.000 -0.020 0.000 0.806 333 A HN 2.369 nan 8.150 nan 0.000 0.451 334 G N -1.354 107.371 108.800 -0.124 0.000 2.920 334 G HA2 0.338 4.294 3.960 -0.005 0.000 0.208 334 G HA3 0.338 4.294 3.960 -0.005 0.000 0.208 334 G C 0.668 175.447 174.900 -0.201 0.000 1.159 334 G CA 0.575 45.562 45.100 -0.187 0.000 0.784 334 G HN 0.778 nan 8.290 nan 0.000 0.535 335 A N 1.614 124.345 122.820 -0.147 0.000 3.168 335 A HA 0.534 4.851 4.320 -0.005 0.000 0.260 335 A C 0.989 178.536 177.584 -0.062 0.000 1.598 335 A CA -0.131 51.833 52.037 -0.121 0.000 1.285 335 A CB -0.862 18.087 19.000 -0.086 0.000 1.149 335 A HN 0.287 nan 8.150 nan 0.000 0.630 336 T N -1.575 112.941 114.554 -0.063 0.000 2.910 336 T HA 0.517 4.864 4.350 -0.005 0.000 0.293 336 T C -0.186 174.518 174.700 0.006 0.000 1.015 336 T CA -0.519 61.569 62.100 -0.020 0.000 1.094 336 T CB 1.450 70.309 68.868 -0.014 0.000 0.968 336 T HN 0.173 nan 8.240 nan 0.000 0.521 337 V N 3.552 123.483 119.914 0.029 0.000 2.378 337 V HA 0.678 4.794 4.120 -0.005 0.000 0.288 337 V C 0.220 176.353 176.094 0.064 0.000 1.016 337 V CA -0.467 61.867 62.300 0.057 0.000 0.840 337 V CB 0.710 32.567 31.823 0.056 0.000 0.994 337 V HN 1.312 nan 8.190 nan 0.000 0.431 338 S N 4.169 119.921 115.700 0.086 0.000 2.705 338 S HA 0.483 4.949 4.470 -0.005 0.000 0.280 338 S C 0.702 175.366 174.600 0.107 0.000 1.174 338 S CA -0.711 57.540 58.200 0.085 0.000 0.823 338 S CB 1.868 65.114 63.200 0.076 0.000 1.162 338 S HN 0.597 nan 8.310 nan 0.000 0.487 339 K N 0.367 120.823 120.400 0.094 0.000 2.211 339 K HA -0.140 4.177 4.320 -0.005 0.000 0.204 339 K C 0.121 176.791 176.600 0.117 0.000 1.047 339 K CA 2.042 58.387 56.287 0.098 0.000 0.935 339 K CB -0.898 31.648 32.500 0.076 0.000 0.728 339 K HN 0.674 nan 8.250 nan 0.000 0.452 340 D N 0.497 120.977 120.400 0.133 0.000 2.349 340 D HA 0.031 4.668 4.640 -0.005 0.000 0.224 340 D C 0.049 176.512 176.300 0.272 0.000 1.029 340 D CA 0.361 54.465 54.000 0.175 0.000 0.879 340 D CB 0.206 41.106 40.800 0.167 0.000 0.906 340 D HN 0.132 nan 8.370 nan 0.000 0.528 341 R N 0.828 121.479 120.500 0.252 0.000 2.513 341 R HA 0.350 4.687 4.340 -0.005 0.000 0.283 341 R C -0.685 175.791 176.300 0.294 0.000 1.535 341 R CA -0.697 55.613 56.100 0.350 0.000 1.315 341 R CB 1.017 31.470 30.300 0.254 0.000 1.163 341 R HN -0.092 nan 8.270 nan 0.000 0.573 342 R N 1.362 122.027 120.500 0.274 0.000 2.623 342 R HA 0.044 4.381 4.340 -0.005 0.000 0.271 342 R C 0.120 176.663 176.300 0.406 0.000 1.043 342 R CA 0.367 56.647 56.100 0.299 0.000 1.083 342 R CB 0.499 30.967 30.300 0.281 0.000 0.974 342 R HN 0.231 nan 8.270 nan 0.000 0.436 343 Q N 2.363 122.372 119.800 0.349 0.000 2.342 343 Q HA 0.348 4.685 4.340 -0.005 0.000 0.267 343 Q C -0.467 175.706 176.000 0.288 0.000 1.038 343 Q CA -0.741 55.254 55.803 0.320 0.000 0.832 343 Q CB 2.174 31.048 28.738 0.226 0.000 1.323 343 Q HN 0.447 nan 8.270 nan 0.000 0.448 344 L N 1.539 122.941 121.223 0.299 0.000 2.395 344 L HA 0.304 4.641 4.340 -0.005 0.000 0.269 344 L C 1.118 178.142 176.870 0.257 0.000 1.133 344 L CA -0.456 54.495 54.840 0.185 0.000 0.812 344 L CB 0.695 42.819 42.059 0.108 0.000 1.125 344 L HN 0.712 nan 8.230 nan 0.000 0.452 345 T N -2.790 111.846 114.554 0.136 0.000 2.788 345 T HA 0.057 4.403 4.350 -0.005 0.000 0.287 345 T C 0.777 175.546 174.700 0.115 0.000 1.007 345 T CA -0.763 61.425 62.100 0.148 0.000 1.005 345 T CB 0.934 69.850 68.868 0.079 0.000 1.012 345 T HN 0.514 nan 8.240 nan 0.000 0.530 346 D N 0.975 121.470 120.400 0.159 0.000 2.123 346 D HA -0.114 4.522 4.640 -0.005 0.000 0.196 346 D C 2.366 178.644 176.300 -0.037 0.000 0.992 346 D CA 1.796 55.843 54.000 0.079 0.000 0.833 346 D CB -0.841 40.040 40.800 0.135 0.000 0.954 346 D HN 0.750 nan 8.370 nan 0.000 0.455 347 A N 0.791 123.611 122.820 -0.001 0.000 1.902 347 A HA -0.234 4.083 4.320 -0.005 0.000 0.217 347 A C 2.164 179.729 177.584 -0.032 0.000 1.181 347 A CA 1.514 53.542 52.037 -0.014 0.000 0.623 347 A CB -0.620 18.379 19.000 -0.000 0.000 0.818 347 A HN 0.226 nan 8.150 nan 0.000 0.443 348 Q N -0.788 118.995 119.800 -0.029 0.000 2.079 348 Q HA -0.058 4.278 4.340 -0.005 0.000 0.200 348 Q C 2.413 178.438 176.000 0.042 0.000 0.974 348 Q CA 1.222 57.021 55.803 -0.007 0.000 0.840 348 Q CB -0.374 28.353 28.738 -0.019 0.000 0.898 348 Q HN 0.684 nan 8.270 nan 0.000 0.430 349 A N 1.138 123.876 122.820 -0.137 0.000 1.978 349 A HA -0.139 4.178 4.320 -0.005 0.000 0.220 349 A C 2.245 179.792 177.584 -0.062 0.000 1.170 349 A CA 1.531 53.401 52.037 -0.277 0.000 0.636 349 A CB -0.706 17.566 19.000 -1.214 0.000 0.810 349 A HN 0.399 nan 8.150 nan 0.000 0.448 350 A N -0.535 122.240 122.820 -0.076 0.000 2.178 350 A HA -0.071 4.246 4.320 -0.005 0.000 0.218 350 A C 1.632 179.198 177.584 -0.029 0.000 1.157 350 A CA 1.357 53.372 52.037 -0.037 0.000 0.689 350 A CB -0.276 18.703 19.000 -0.036 0.000 0.787 350 A HN 0.447 nan 8.150 nan 0.000 0.465 351 E N -1.276 118.898 120.200 -0.043 0.000 2.502 351 E HA -0.031 4.316 4.350 -0.005 0.000 0.194 351 E C -0.263 176.159 176.600 -0.296 0.000 1.062 351 E CA 0.527 56.827 56.400 -0.166 0.000 0.867 351 E CB -0.152 29.388 29.700 -0.266 0.000 0.888 351 E HN 0.851 nan 8.360 nan 0.000 0.510 352 Y N 0.620 120.924 120.300 0.007 0.000 2.720 352 Y HA 0.081 4.629 4.550 -0.004 0.000 0.277 352 Y C 0.840 176.693 175.900 -0.079 0.000 1.144 352 Y CA -0.532 57.548 58.100 -0.033 0.000 1.221 352 Y CB 0.130 38.614 38.460 0.040 0.000 1.163 352 Y HN -0.162 nan 8.280 nan 0.000 0.537 353 T N -3.284 111.261 114.554 -0.014 0.000 2.860 353 T HA -0.033 4.314 4.350 -0.005 0.000 0.299 353 T C 1.334 175.965 174.700 -0.116 0.000 1.045 353 T CA -0.415 61.660 62.100 -0.041 0.000 1.071 353 T CB 1.362 70.197 68.868 -0.055 0.000 0.985 353 T HN 0.482 nan 8.240 nan 0.000 0.537 354 Q N 0.682 120.408 119.800 -0.124 0.000 2.112 354 Q HA -0.183 4.154 4.340 -0.005 0.000 0.206 354 Q C 2.398 178.247 176.000 -0.252 0.000 0.987 354 Q CA 1.971 57.638 55.803 -0.227 0.000 0.858 354 Q CB -0.518 28.037 28.738 -0.305 0.000 0.905 354 Q HN 0.856 nan 8.270 nan 0.000 0.420 355 S N -0.191 115.392 115.700 -0.195 0.000 2.370 355 S HA -0.164 4.303 4.470 -0.005 0.000 0.226 355 S C 1.762 176.275 174.600 -0.145 0.000 1.033 355 S CA 1.473 59.575 58.200 -0.164 0.000 1.011 355 S CB -0.044 63.084 63.200 -0.119 0.000 0.852 355 S HN 0.358 nan 8.310 nan 0.000 0.457 356 K N 0.180 120.483 120.400 -0.162 0.000 2.076 356 K HA 0.039 4.356 4.320 -0.005 0.000 0.204 356 K C 2.105 178.511 176.600 -0.323 0.000 1.051 356 K CA 1.239 57.430 56.287 -0.160 0.000 0.949 356 K CB -0.332 32.090 32.500 -0.131 0.000 0.726 356 K HN 0.290 nan 8.250 nan 0.000 0.443 357 V N 1.801 121.395 119.914 -0.532 0.000 2.379 357 V HA -0.163 3.954 4.120 -0.005 0.000 0.245 357 V C 2.055 178.004 176.094 -0.242 0.000 1.044 357 V CA 1.454 63.315 62.300 -0.731 0.000 1.036 357 V CB -0.288 31.219 31.823 -0.527 0.000 0.664 357 V HN 0.248 nan 8.190 nan 0.000 0.453 358 L N -0.688 120.440 121.223 -0.157 0.000 2.567 358 L HA 0.378 4.714 4.340 -0.005 0.000 0.225 358 L C 1.659 178.559 176.870 0.050 0.000 1.119 358 L CA 0.624 55.461 54.840 -0.006 0.000 0.871 358 L CB -0.668 41.320 42.059 -0.118 0.000 1.036 358 L HN 0.525 nan 8.230 nan 0.000 0.459 359 G N 2.307 111.100 108.800 -0.011 0.000 2.591 359 G HA2 -0.442 3.515 3.960 -0.005 0.000 0.298 359 G HA3 -0.442 3.515 3.960 -0.005 0.000 0.298 359 G C 0.424 175.332 174.900 0.015 0.000 1.195 359 G CA 0.559 45.670 45.100 0.018 0.000 0.989 359 G HN 0.530 nan 8.290 nan 0.000 0.551 360 D N -0.254 120.176 120.400 0.050 0.000 2.352 360 D HA 0.164 4.801 4.640 -0.005 0.000 0.232 360 D C 0.625 176.987 176.300 0.105 0.000 1.055 360 D CA 0.585 54.613 54.000 0.046 0.000 0.891 360 D CB -0.131 40.692 40.800 0.038 0.000 0.897 360 D HN 0.487 nan 8.370 nan 0.000 0.529 361 W N 1.764 123.004 121.300 -0.100 0.000 2.316 361 W HA 0.481 5.148 4.660 0.012 0.000 0.308 361 W C -0.908 175.504 176.519 -0.178 0.000 1.106 361 W CA -1.053 56.220 57.345 -0.120 0.000 1.262 361 W CB 1.057 30.451 29.460 -0.111 0.000 1.233 361 W HN -0.317 nan 8.180 nan 0.000 0.447 362 T N 9.229 123.520 114.554 -0.439 0.000 2.781 362 T HA 0.266 4.613 4.350 -0.005 0.000 0.305 362 T C -2.441 171.690 174.700 -0.949 0.000 1.001 362 T CA -1.264 60.438 62.100 -0.663 0.000 0.950 362 T CB 0.826 69.493 68.868 -0.335 0.000 0.955 362 T HN 0.140 nan 8.240 nan 0.000 0.471 363 P HA 0.188 nan 4.420 nan 0.000 0.266 363 P C -0.154 176.787 177.300 -0.599 0.000 1.215 363 P CA -0.061 62.269 63.100 -1.283 0.000 0.763 363 P CB 0.238 30.804 31.700 -1.890 0.000 0.806 364 T N 1.148 115.644 114.554 -0.096 0.000 2.900 364 T HA 0.669 5.016 4.350 -0.005 0.000 0.295 364 T C -0.534 174.304 174.700 0.231 0.000 1.044 364 T CA -0.940 61.213 62.100 0.088 0.000 0.995 364 T CB 0.830 69.699 68.868 0.001 0.000 1.072 364 T HN 0.035 nan 8.240 nan 0.000 0.473 365 L N 2.150 123.459 121.223 0.145 0.000 2.344 365 L HA 0.586 4.922 4.340 -0.005 0.000 0.272 365 L C -1.638 175.156 176.870 -0.126 0.000 1.035 365 L CA -2.126 52.703 54.840 -0.019 0.000 0.807 365 L CB 0.651 42.677 42.059 -0.056 0.000 1.237 365 L HN 0.601 nan 8.230 nan 0.000 0.442 366 P HA 0.000 nan 4.420 nan 0.000 0.216 366 P CA 0.000 62.943 63.100 -0.261 0.000 0.800 366 P CB 0.000 31.486 31.700 -0.356 0.000 0.726