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 2wov_1_C DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTCVNVGCV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY VKGEKMEKLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.647 174.600 0.078 0.000 1.055 -1 S CA 0.000 58.212 58.200 0.021 0.000 1.107 -1 S CB 0.000 63.253 63.200 0.089 0.000 0.593 0 H N 0.295 119.364 119.070 -0.002 0.000 2.768 0 H HA 0.723 5.279 4.556 -0.000 0.000 0.371 0 H C -0.359 174.968 175.328 -0.003 0.000 1.151 0 H CA -1.047 55.000 56.048 -0.002 0.000 1.165 0 H CB 0.530 30.293 29.762 0.002 0.000 1.722 0 H HN 0.142 nan 8.280 nan 0.000 0.543 1 M N 1.942 121.593 119.600 0.086 0.000 2.249 1 M HA 0.077 4.557 4.480 -0.000 0.000 0.340 1 M C 0.041 176.355 176.300 0.023 0.000 1.166 1 M CA 0.331 55.646 55.300 0.025 0.000 1.115 1 M CB 0.744 33.360 32.600 0.026 0.000 1.606 1 M HN 0.707 nan 8.290 nan 0.000 0.448 2 S N 2.603 118.297 115.700 -0.009 0.000 2.585 2 S HA 0.162 4.632 4.470 -0.000 0.000 0.273 2 S C 0.000 174.604 174.600 0.007 0.000 1.339 2 S CA -0.622 57.578 58.200 0.000 0.000 1.028 2 S CB 0.555 63.747 63.200 -0.013 0.000 0.906 2 S HN 0.400 nan 8.310 nan 0.000 0.528 3 K N 1.727 122.149 120.400 0.036 0.000 2.412 3 K HA 0.397 4.717 4.320 -0.000 0.000 0.281 3 K C -0.311 176.245 176.600 -0.073 0.000 1.027 3 K CA -0.085 56.200 56.287 -0.004 0.000 0.989 3 K CB 0.423 33.026 32.500 0.173 0.000 0.935 3 K HN 0.531 nan 8.250 nan 0.000 0.475 4 A N 3.747 126.361 122.820 -0.343 0.000 2.355 4 A HA 0.731 5.051 4.320 -0.000 0.000 0.317 4 A C -1.216 176.037 177.584 -0.553 0.000 1.094 4 A CA -0.714 51.178 52.037 -0.242 0.000 0.764 4 A CB 0.495 19.422 19.000 -0.122 0.000 1.230 4 A HN 0.574 nan 8.150 nan 0.000 0.448 5 F N 0.307 120.292 119.950 0.058 0.000 2.577 5 F HA 0.363 4.889 4.527 -0.000 0.000 0.318 5 F C 0.885 176.745 175.800 0.100 0.000 1.065 5 F CA -0.599 57.451 58.000 0.083 0.000 0.929 5 F CB 2.070 41.134 39.000 0.105 0.000 1.237 5 F HN 0.645 nan 8.300 nan 0.000 0.468 6 D N 0.625 121.204 120.400 0.298 0.000 2.183 6 D HA -0.011 4.629 4.640 -0.000 0.000 0.203 6 D C -0.100 176.487 176.300 0.478 0.000 0.969 6 D CA 1.533 55.715 54.000 0.303 0.000 0.842 6 D CB 0.445 41.295 40.800 0.084 0.000 0.957 6 D HN 0.121 nan 8.370 nan 0.000 0.484 7 L N 0.421 121.877 121.223 0.387 0.000 2.464 7 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 7 L C -1.420 175.582 176.870 0.219 0.000 0.965 7 L CA -0.731 54.335 54.840 0.377 0.000 0.833 7 L CB 2.392 44.662 42.059 0.351 0.000 1.296 7 L HN -0.364 nan 8.230 nan 0.000 0.405 8 V N 5.456 125.465 119.914 0.159 0.000 2.384 8 V HA 0.555 4.675 4.120 -0.000 0.000 0.287 8 V C -0.339 175.794 176.094 0.065 0.000 1.020 8 V CA -0.725 61.583 62.300 0.014 0.000 0.850 8 V CB 1.706 33.492 31.823 -0.061 0.000 0.987 8 V HN 0.517 nan 8.190 nan 0.000 0.436 9 V N 6.500 126.445 119.914 0.051 0.000 2.427 9 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 9 V C -0.068 176.041 176.094 0.025 0.000 1.034 9 V CA -0.391 61.955 62.300 0.077 0.000 0.893 9 V CB 1.681 33.572 31.823 0.113 0.000 0.982 9 V HN 0.681 nan 8.190 nan 0.000 0.452 10 I N 4.078 124.660 120.570 0.021 0.000 2.355 10 I HA 0.731 4.901 4.170 -0.000 0.000 0.288 10 I C 0.592 176.705 176.117 -0.007 0.000 0.999 10 I CA -0.234 61.055 61.300 -0.018 0.000 1.163 10 I CB 1.446 39.431 38.000 -0.026 0.000 1.316 10 I HN 0.870 nan 8.210 nan 0.000 0.454 11 G N 4.494 113.277 108.800 -0.027 0.000 3.445 11 G HA2 0.098 4.058 3.960 -0.000 0.000 0.686 11 G HA3 0.098 4.058 3.960 -0.000 0.000 0.686 11 G C -0.282 174.641 174.900 0.039 0.000 1.113 11 G CA -0.388 44.707 45.100 -0.008 0.000 0.974 11 G HN 0.971 nan 8.290 nan 0.000 0.492 12 A N 1.907 124.760 122.820 0.056 0.000 3.258 12 A HA 0.766 5.085 4.320 -0.000 0.000 0.275 12 A C 1.350 178.929 177.584 -0.008 0.000 1.452 12 A CA 1.160 53.246 52.037 0.082 0.000 1.120 12 A CB -0.270 18.836 19.000 0.176 0.000 1.107 12 A HN 2.019 nan 8.150 nan 0.000 0.651 13 G N -0.846 107.955 108.800 0.002 0.000 2.890 13 G HA2 0.386 4.346 3.960 -0.000 0.000 0.189 13 G HA3 0.386 4.346 3.960 -0.000 0.000 0.189 13 G C 1.083 175.973 174.900 -0.017 0.000 1.342 13 G CA 0.511 45.602 45.100 -0.015 0.000 1.026 13 G HN 0.225 nan 8.290 nan 0.000 0.579 14 S N -0.370 115.336 115.700 0.009 0.000 2.353 14 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 14 S C 2.393 177.013 174.600 0.033 0.000 1.035 14 S CA 1.905 60.117 58.200 0.019 0.000 1.025 14 S CB -0.627 62.594 63.200 0.035 0.000 0.902 14 S HN 0.749 nan 8.310 nan 0.000 0.440 15 G N 0.329 109.158 108.800 0.048 0.000 2.408 15 G HA2 0.100 4.060 3.960 -0.000 0.000 0.215 15 G HA3 0.100 4.060 3.960 -0.000 0.000 0.215 15 G C 1.356 176.301 174.900 0.076 0.000 1.156 15 G CA 0.757 45.895 45.100 0.064 0.000 0.793 15 G HN 0.558 nan 8.290 nan 0.000 0.535 16 G N 0.599 109.442 108.800 0.072 0.000 2.430 16 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 16 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 16 G C 1.731 176.696 174.900 0.109 0.000 1.146 16 G CA 0.263 45.419 45.100 0.093 0.000 0.793 16 G HN 0.388 nan 8.290 nan 0.000 0.537 17 L N -0.037 121.229 121.223 0.073 0.000 2.109 17 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 17 L C 2.727 179.672 176.870 0.124 0.000 1.086 17 L CA 1.282 56.164 54.840 0.069 0.000 0.760 17 L CB -0.213 41.802 42.059 -0.074 0.000 0.910 17 L HN 0.260 nan 8.230 nan 0.000 0.437 18 E N 0.698 120.961 120.200 0.106 0.000 2.051 18 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 18 E C 2.124 178.842 176.600 0.196 0.000 0.991 18 E CA 1.645 58.133 56.400 0.148 0.000 0.799 18 E CB -0.084 29.679 29.700 0.105 0.000 0.748 18 E HN 0.360 nan 8.360 nan 0.000 0.449 19 A N 0.373 123.288 122.820 0.159 0.000 1.865 19 A HA -0.087 4.232 4.320 -0.000 0.000 0.217 19 A C 2.505 180.195 177.584 0.177 0.000 1.191 19 A CA 2.039 54.175 52.037 0.164 0.000 0.623 19 A CB -1.567 17.518 19.000 0.142 0.000 0.826 19 A HN 0.447 nan 8.150 nan 0.000 0.444 20 G N -1.295 107.610 108.800 0.175 0.000 2.480 20 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 20 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 20 G C 1.542 176.525 174.900 0.139 0.000 1.200 20 G CA 1.010 46.207 45.100 0.161 0.000 0.782 20 G HN 0.685 nan 8.290 nan 0.000 0.554 21 W N 1.772 123.060 121.300 -0.019 0.000 2.317 21 W HA -0.197 4.463 4.660 -0.000 0.000 0.318 21 W C 2.208 178.720 176.519 -0.012 0.000 1.227 21 W CA 1.753 59.069 57.345 -0.048 0.000 1.269 21 W CB -0.389 29.042 29.460 -0.047 0.000 1.155 21 W HN 0.180 nan 8.180 nan 0.000 0.484 22 N N 0.821 119.580 118.700 0.099 0.000 2.069 22 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 22 N C 1.927 177.444 175.510 0.012 0.000 1.031 22 N CA 2.587 55.647 53.050 0.016 0.000 0.852 22 N CB -1.256 37.340 38.487 0.181 0.000 1.018 22 N HN 0.218 nan 8.380 nan 0.000 0.423 23 A N 0.603 123.481 122.820 0.096 0.000 1.908 23 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 23 A C 2.313 179.844 177.584 -0.088 0.000 1.181 23 A CA 2.095 54.169 52.037 0.062 0.000 0.627 23 A CB -0.843 18.140 19.000 -0.027 0.000 0.818 23 A HN 0.349 nan 8.150 nan 0.000 0.445 24 A N -0.659 122.068 122.820 -0.155 0.000 1.854 24 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 24 A C 2.458 179.852 177.584 -0.318 0.000 1.192 24 A CA 2.413 54.325 52.037 -0.209 0.000 0.611 24 A CB -1.142 17.737 19.000 -0.203 0.000 0.832 24 A HN 0.729 nan 8.150 nan 0.000 0.442 25 T N -2.556 111.675 114.554 -0.538 0.000 2.976 25 T HA 0.180 4.530 4.350 -0.000 0.000 0.257 25 T C 1.706 176.136 174.700 -0.450 0.000 1.051 25 T CA 1.078 62.796 62.100 -0.636 0.000 1.141 25 T CB -0.258 67.891 68.868 -1.198 0.000 0.881 25 T HN 0.216 nan 8.240 nan 0.000 0.461 26 L N -1.578 119.374 121.223 -0.452 0.000 2.416 26 L HA 0.311 4.650 4.340 -0.000 0.000 0.216 26 L C 1.417 177.863 176.870 -0.706 0.000 1.098 26 L CA 0.615 55.123 54.840 -0.553 0.000 0.840 26 L CB 0.025 41.703 42.059 -0.636 0.000 0.981 26 L HN 0.217 nan 8.230 nan 0.000 0.462 27 Y N -0.675 119.536 120.300 -0.147 0.000 2.500 27 Y HA 0.349 4.899 4.550 -0.000 0.000 0.246 27 Y C 1.663 177.468 175.900 -0.157 0.000 1.146 27 Y CA -0.069 57.955 58.100 -0.128 0.000 1.230 27 Y CB 0.455 38.847 38.460 -0.113 0.000 1.214 27 Y HN 0.124 nan 8.280 nan 0.000 0.526 28 G N 0.908 109.664 108.800 -0.072 0.000 2.203 28 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 28 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 28 G C 0.165 175.011 174.900 -0.091 0.000 1.012 28 G CA 0.036 45.085 45.100 -0.084 0.000 0.749 28 G HN 0.036 nan 8.290 nan 0.000 0.512 29 K N -0.434 119.879 120.400 -0.145 0.000 2.154 29 K HA 0.465 4.785 4.320 -0.000 0.000 0.264 29 K C 0.621 177.172 176.600 -0.082 0.000 1.008 29 K CA -0.792 55.374 56.287 -0.201 0.000 0.937 29 K CB 0.846 33.048 32.500 -0.498 0.000 1.002 29 K HN 0.305 nan 8.250 nan 0.000 0.469 30 R N 0.719 121.215 120.500 -0.007 0.000 2.265 30 R HA 0.381 4.721 4.340 -0.000 0.000 0.319 30 R C -1.020 175.480 176.300 0.333 0.000 1.006 30 R CA -0.335 55.838 56.100 0.122 0.000 0.880 30 R CB 0.694 31.014 30.300 0.034 0.000 1.077 30 R HN 0.282 nan 8.270 nan 0.000 0.454 31 V N 2.700 122.881 119.914 0.446 0.000 2.888 31 V HA 0.757 4.877 4.120 -0.000 0.000 0.309 31 V C -0.939 175.273 176.094 0.197 0.000 1.114 31 V CA -0.890 61.597 62.300 0.311 0.000 0.940 31 V CB 2.092 34.006 31.823 0.151 0.000 1.021 31 V HN 0.899 nan 8.190 nan 0.000 0.426 32 A N 3.636 126.335 122.820 -0.201 0.000 2.355 32 A HA 0.951 5.271 4.320 -0.000 0.000 0.317 32 A C -1.135 176.427 177.584 -0.037 0.000 1.094 32 A CA -0.587 51.253 52.037 -0.327 0.000 0.764 32 A CB 1.841 20.175 19.000 -1.111 0.000 1.230 32 A HN 0.796 nan 8.150 nan 0.000 0.448 33 V N 1.892 121.873 119.914 0.113 0.000 2.604 33 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 33 V C -0.440 175.606 176.094 -0.079 0.000 1.043 33 V CA -0.631 61.741 62.300 0.120 0.000 0.888 33 V CB 1.577 33.616 31.823 0.360 0.000 0.995 33 V HN 0.695 nan 8.190 nan 0.000 0.429 34 V N 2.761 122.603 119.914 -0.120 0.000 2.604 34 V HA 0.717 4.837 4.120 -0.000 0.000 0.305 34 V C -0.767 175.204 176.094 -0.205 0.000 1.043 34 V CA -0.357 61.770 62.300 -0.288 0.000 0.888 34 V CB 1.955 33.652 31.823 -0.209 0.000 0.995 34 V HN 0.989 nan 8.190 nan 0.000 0.429 35 D N 1.078 121.313 120.400 -0.275 0.000 2.623 35 D HA 0.267 4.907 4.640 -0.000 0.000 0.241 35 D C 0.366 176.526 176.300 -0.234 0.000 1.241 35 D CA -0.271 53.645 54.000 -0.140 0.000 0.788 35 D CB 2.937 43.812 40.800 0.125 0.000 1.413 35 D HN 0.433 nan 8.370 nan 0.000 0.429 36 V N -0.255 119.419 119.914 -0.400 0.000 3.306 36 V HA 0.259 4.379 4.120 -0.000 0.000 0.264 36 V C 0.457 176.483 176.094 -0.114 0.000 1.149 36 V CA 0.982 62.932 62.300 -0.583 0.000 1.143 36 V CB -0.107 30.890 31.823 -1.377 0.000 0.767 36 V HN 0.454 nan 8.190 nan 0.000 0.476 37 Q N -0.392 119.430 119.800 0.037 0.000 2.386 37 Q HA 0.331 4.671 4.340 -0.000 0.000 0.274 37 Q C 0.578 176.630 176.000 0.088 0.000 1.011 37 Q CA 0.390 56.261 55.803 0.113 0.000 0.867 37 Q CB 2.213 31.041 28.738 0.150 0.000 1.409 37 Q HN 0.436 nan 8.270 nan 0.000 0.395 38 T N -1.896 112.688 114.554 0.049 0.000 3.054 38 T HA 0.138 4.488 4.350 -0.000 0.000 0.259 38 T C 0.638 175.306 174.700 -0.054 0.000 1.092 38 T CA 0.855 62.920 62.100 -0.057 0.000 1.121 38 T CB 0.037 68.864 68.868 -0.069 0.000 0.912 38 T HN 0.456 nan 8.240 nan 0.000 0.489 39 S N 0.765 116.449 115.700 -0.027 0.000 2.618 39 S HA 0.540 5.010 4.470 -0.000 0.000 0.277 39 S C -0.572 173.994 174.600 -0.057 0.000 1.138 39 S CA -1.150 57.040 58.200 -0.016 0.000 0.844 39 S CB 1.039 64.213 63.200 -0.044 0.000 1.127 39 S HN 0.713 nan 8.310 nan 0.000 0.474 40 H N -0.258 118.829 119.070 0.029 0.000 2.757 40 H HA 0.699 5.255 4.556 -0.000 0.000 0.370 40 H C 0.772 176.098 175.328 -0.002 0.000 1.172 40 H CA 0.403 56.484 56.048 0.056 0.000 1.426 40 H CB -0.148 29.679 29.762 0.109 0.000 1.438 40 H HN 1.605 nan 8.280 nan 0.000 0.612 41 G N 0.413 109.192 108.800 -0.035 0.000 2.434 41 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.671 41 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.671 41 G C -3.035 171.395 174.900 -0.783 0.000 1.280 41 G CA -0.827 43.990 45.100 -0.471 0.000 0.975 41 G HN 0.761 nan 8.290 nan 0.000 0.510 42 P HA 0.208 nan 4.420 nan 0.000 0.267 42 P C -1.549 175.356 177.300 -0.658 0.000 1.200 42 P CA -0.669 61.829 63.100 -1.004 0.000 0.772 42 P CB 0.456 31.776 31.700 -0.632 0.000 0.855 43 P HA 0.047 nan 4.420 nan 0.000 0.230 43 P C 0.475 177.426 177.300 -0.582 0.000 1.168 43 P CA 1.233 63.882 63.100 -0.752 0.000 0.793 43 P CB 0.079 31.243 31.700 -0.893 0.000 0.851 44 F N -2.932 116.934 119.950 -0.141 0.000 2.678 44 F HA 0.240 4.767 4.527 -0.000 0.000 0.305 44 F C 1.236 177.216 175.800 0.301 0.000 1.090 44 F CA -0.687 57.413 58.000 0.168 0.000 1.272 44 F CB -0.627 38.450 39.000 0.129 0.000 1.060 44 F HN -0.259 nan 8.300 nan 0.000 0.576 45 Y N -1.187 119.262 120.300 0.248 0.000 2.729 45 Y HA -0.400 4.150 4.550 -0.000 0.000 0.483 45 Y C 1.581 177.610 175.900 0.214 0.000 1.111 45 Y CA 0.334 58.554 58.100 0.200 0.000 2.927 45 Y CB -1.876 36.727 38.460 0.239 0.000 0.984 45 Y HN 0.041 nan 8.280 nan 0.000 0.571 46 A N 1.267 124.336 122.820 0.415 0.000 2.287 46 A HA 0.852 5.172 4.320 -0.000 0.000 0.273 46 A C 0.460 178.152 177.584 0.180 0.000 1.091 46 A CA 0.627 52.824 52.037 0.268 0.000 0.817 46 A CB 0.801 19.966 19.000 0.275 0.000 1.069 46 A HN 1.418 nan 8.150 nan 0.000 0.492 47 A N -0.606 122.283 122.820 0.116 0.000 2.573 47 A HA 0.562 4.882 4.320 -0.000 0.000 0.310 47 A C -0.861 176.746 177.584 0.038 0.000 1.142 47 A CA -0.613 51.470 52.037 0.076 0.000 0.620 47 A CB -0.286 18.762 19.000 0.081 0.000 1.382 47 A HN 1.894 nan 8.150 nan 0.000 0.545 48 L N 1.141 122.363 121.223 -0.001 0.000 2.706 48 L HA 0.361 4.701 4.340 -0.000 0.000 0.282 48 L C 1.383 178.215 176.870 -0.064 0.000 1.219 48 L CA 2.767 57.551 54.840 -0.093 0.000 0.935 48 L CB -0.348 41.563 42.059 -0.246 0.000 1.204 48 L HN 2.231 nan 8.230 nan 0.000 0.491 49 G N 2.041 110.712 108.800 -0.215 0.000 2.232 49 G HA2 0.078 4.038 3.960 -0.000 0.000 0.226 49 G HA3 0.078 4.038 3.960 -0.000 0.000 0.226 49 G C 1.174 176.036 174.900 -0.064 0.000 0.996 49 G CA 0.237 45.201 45.100 -0.227 0.000 0.626 49 G HN 2.158 nan 8.290 nan 0.000 0.509 50 G N -1.499 107.294 108.800 -0.012 0.000 2.828 50 G HA2 0.104 4.064 3.960 -0.000 0.000 0.463 50 G HA3 0.104 4.064 3.960 -0.000 0.000 0.463 50 G C 0.831 175.767 174.900 0.059 0.000 1.394 50 G CA 0.659 45.778 45.100 0.032 0.000 0.862 50 G HN 1.298 nan 8.290 nan 0.000 0.540 51 T N -0.379 114.223 114.554 0.080 0.000 2.665 51 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 51 T C 2.607 177.327 174.700 0.034 0.000 1.035 51 T CA 2.885 65.034 62.100 0.082 0.000 1.151 51 T CB -0.757 68.174 68.868 0.105 0.000 0.862 51 T HN 1.321 nan 8.240 nan 0.000 0.438 52 C N 1.168 120.489 119.300 0.036 0.000 2.336 52 C HA -0.152 4.308 4.460 -0.000 0.000 0.275 52 C C 2.750 177.732 174.990 -0.014 0.000 1.175 52 C CA 1.285 60.314 59.018 0.019 0.000 1.771 52 C CB -1.283 26.475 27.740 0.030 0.000 2.030 52 C HN 0.415 nan 8.230 nan 0.000 0.442 53 V N 1.473 121.393 119.914 0.009 0.000 2.453 53 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 53 V C 2.329 178.389 176.094 -0.057 0.000 1.048 53 V CA 2.386 64.690 62.300 0.006 0.000 1.049 53 V CB -0.672 31.215 31.823 0.106 0.000 0.672 53 V HN 0.603 nan 8.190 nan 0.000 0.457 54 N N 0.032 118.709 118.700 -0.038 0.000 2.387 54 N HA 0.022 4.761 4.740 -0.000 0.000 0.176 54 N C 0.849 176.230 175.510 -0.214 0.000 1.022 54 N CA 1.632 54.662 53.050 -0.034 0.000 0.883 54 N CB 1.183 39.736 38.487 0.111 0.000 1.019 54 N HN 0.519 nan 8.380 nan 0.000 0.435 55 V N -3.249 116.495 119.914 -0.285 0.000 3.342 55 V HA 0.643 4.763 4.120 -0.000 0.000 0.494 55 V C 0.171 176.076 176.094 -0.315 0.000 1.598 55 V CA -0.384 61.534 62.300 -0.636 0.000 1.948 55 V CB 0.529 32.298 31.823 -0.089 0.000 1.274 55 V HN 0.166 nan 8.190 nan 0.000 0.650 56 G N -0.390 108.285 108.800 -0.209 0.000 3.255 56 G HA2 0.286 4.246 3.960 -0.000 0.000 0.161 56 G HA3 0.286 4.246 3.960 -0.000 0.000 0.161 56 G C 0.851 175.788 174.900 0.062 0.000 1.173 56 G CA 0.659 45.813 45.100 0.089 0.000 1.106 56 G HN 0.266 nan 8.290 nan 0.000 0.650 57 C N 0.094 119.419 119.300 0.041 0.000 2.284 57 C HA -0.142 4.318 4.460 -0.000 0.000 0.269 57 C C 2.869 177.814 174.990 -0.076 0.000 1.133 57 C CA 1.268 60.282 59.018 -0.006 0.000 1.794 57 C CB -1.566 26.174 27.740 -0.000 0.000 1.976 57 C HN 0.307 nan 8.230 nan 0.000 0.424 58 V N 2.753 122.617 119.914 -0.084 0.000 2.233 58 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 58 V C 0.116 176.134 176.094 -0.127 0.000 1.050 58 V CA 2.838 65.071 62.300 -0.112 0.000 1.010 58 V CB -1.961 29.803 31.823 -0.099 0.000 0.637 58 V HN 0.456 nan 8.190 nan 0.000 0.444 59 P HA -0.134 nan 4.420 nan 0.000 0.222 59 P C 1.383 178.705 177.300 0.036 0.000 1.153 59 P CA 1.428 64.457 63.100 -0.117 0.000 0.798 59 P CB -0.062 31.472 31.700 -0.276 0.000 0.796 60 K N 0.691 121.166 120.400 0.126 0.000 2.148 60 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 60 K C 2.118 178.627 176.600 -0.151 0.000 1.050 60 K CA 1.474 57.779 56.287 0.029 0.000 0.942 60 K CB -0.687 31.834 32.500 0.034 0.000 0.724 60 K HN -0.147 nan 8.250 nan 0.000 0.446 61 K N 1.201 121.486 120.400 -0.193 0.000 2.057 61 K HA 0.073 4.393 4.320 -0.000 0.000 0.206 61 K C 1.855 178.339 176.600 -0.195 0.000 1.050 61 K CA 1.266 57.372 56.287 -0.302 0.000 0.935 61 K CB -0.345 31.906 32.500 -0.415 0.000 0.715 61 K HN 0.279 nan 8.250 nan 0.000 0.439 62 L N -0.073 121.061 121.223 -0.148 0.000 2.042 62 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 62 L C 2.501 179.316 176.870 -0.091 0.000 1.076 62 L CA 1.522 56.299 54.840 -0.105 0.000 0.749 62 L CB -0.385 41.607 42.059 -0.112 0.000 0.893 62 L HN 0.249 nan 8.230 nan 0.000 0.432 63 M N -1.273 118.246 119.600 -0.135 0.000 2.156 63 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 63 M C 2.291 178.538 176.300 -0.089 0.000 1.067 63 M CA 1.146 56.347 55.300 -0.165 0.000 1.131 63 M CB -0.275 32.159 32.600 -0.278 0.000 1.368 63 M HN 0.023 nan 8.290 nan 0.000 0.416 64 V N 0.114 119.950 119.914 -0.130 0.000 2.407 64 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 64 V C 2.294 178.373 176.094 -0.026 0.000 1.055 64 V CA 2.210 64.463 62.300 -0.079 0.000 1.049 64 V CB -1.020 30.750 31.823 -0.087 0.000 0.662 64 V HN 0.505 nan 8.190 nan 0.000 0.455 65 T N 0.235 114.769 114.554 -0.034 0.000 2.788 65 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 65 T C 1.885 176.622 174.700 0.061 0.000 1.044 65 T CA 1.482 63.566 62.100 -0.027 0.000 1.139 65 T CB -0.544 68.318 68.868 -0.009 0.000 0.867 65 T HN 0.628 nan 8.240 nan 0.000 0.454 66 G N 0.971 109.884 108.800 0.188 0.000 2.408 66 G HA2 0.004 3.963 3.960 -0.000 0.000 0.217 66 G HA3 0.004 3.963 3.960 -0.000 0.000 0.217 66 G C 1.765 176.897 174.900 0.387 0.000 1.150 66 G CA 0.741 46.087 45.100 0.410 0.000 0.776 66 G HN 0.572 nan 8.290 nan 0.000 0.542 67 A N 0.104 123.088 122.820 0.274 0.000 2.067 67 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 67 A C 2.247 179.831 177.584 0.000 0.000 1.158 67 A CA 1.587 53.719 52.037 0.159 0.000 0.661 67 A CB -0.275 18.814 19.000 0.148 0.000 0.801 67 A HN 0.451 nan 8.150 nan 0.000 0.452 68 Q N -1.458 118.289 119.800 -0.087 0.000 2.124 68 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 68 Q C 1.508 177.293 176.000 -0.358 0.000 0.977 68 Q CA 1.613 57.241 55.803 -0.292 0.000 0.850 68 Q CB -0.338 28.169 28.738 -0.385 0.000 0.901 68 Q HN 0.848 nan 8.270 nan 0.000 0.429 69 Y N 0.201 120.486 120.300 -0.026 0.000 2.365 69 Y HA -0.274 4.275 4.550 -0.000 0.000 0.287 69 Y C 2.197 178.087 175.900 -0.018 0.000 1.162 69 Y CA 1.236 59.355 58.100 0.032 0.000 1.260 69 Y CB -0.401 38.073 38.460 0.023 0.000 0.976 69 Y HN 0.225 nan 8.280 nan 0.000 0.548 70 M N 0.035 119.661 119.600 0.044 0.000 2.086 70 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 70 M C 1.214 177.535 176.300 0.035 0.000 1.067 70 M CA 2.170 57.480 55.300 0.016 0.000 1.116 70 M CB -0.056 32.524 32.600 -0.034 0.000 1.348 70 M HN 0.099 nan 8.290 nan 0.000 0.407 71 D N -0.449 119.931 120.400 -0.034 0.000 2.084 71 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 71 D C 1.974 178.294 176.300 0.033 0.000 0.985 71 D CA 1.314 55.292 54.000 -0.036 0.000 0.826 71 D CB -0.591 40.120 40.800 -0.149 0.000 0.978 71 D HN 0.436 nan 8.370 nan 0.000 0.456 72 H N 0.364 119.453 119.070 0.032 0.000 2.319 72 H HA -0.069 4.487 4.556 -0.000 0.000 0.297 72 H C 2.411 177.801 175.328 0.104 0.000 1.097 72 H CA 0.751 56.818 56.048 0.033 0.000 1.285 72 H CB -0.709 29.037 29.762 -0.027 0.000 1.368 72 H HN 0.157 nan 8.280 nan 0.000 0.495 73 L N 0.154 121.539 121.223 0.270 0.000 2.013 73 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 73 L C 2.863 179.954 176.870 0.369 0.000 1.073 73 L CA 1.728 56.748 54.840 0.299 0.000 0.753 73 L CB -0.357 41.840 42.059 0.231 0.000 0.890 73 L HN 0.209 nan 8.230 nan 0.000 0.432 74 R N 0.405 121.052 120.500 0.245 0.000 2.092 74 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 74 R C 1.951 178.369 176.300 0.198 0.000 1.119 74 R CA 1.478 57.694 56.100 0.193 0.000 0.970 74 R CB -0.059 30.321 30.300 0.134 0.000 0.864 74 R HN 0.400 nan 8.270 nan 0.000 0.440 75 E N 0.177 120.512 120.200 0.225 0.000 2.358 75 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 75 E C 1.806 178.630 176.600 0.373 0.000 1.010 75 E CA 1.042 57.608 56.400 0.276 0.000 0.856 75 E CB 0.211 30.084 29.700 0.289 0.000 0.795 75 E HN 0.467 nan 8.360 nan 0.000 0.504 76 S N 0.709 116.615 115.700 0.344 0.000 2.447 76 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 76 S C 2.167 177.075 174.600 0.515 0.000 1.006 76 S CA 0.709 59.157 58.200 0.414 0.000 0.957 76 S CB -0.019 63.354 63.200 0.288 0.000 0.773 76 S HN 0.258 nan 8.310 nan 0.000 0.507 77 A N 2.011 125.021 122.820 0.317 0.000 1.902 77 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 77 A C 2.436 180.112 177.584 0.153 0.000 1.181 77 A CA 1.548 53.691 52.037 0.176 0.000 0.623 77 A CB -1.849 17.179 19.000 0.045 0.000 0.818 77 A HN 0.683 nan 8.150 nan 0.000 0.443 78 G N -1.400 107.487 108.800 0.146 0.000 2.475 78 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 78 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 78 G C 1.113 175.928 174.900 -0.142 0.000 1.125 78 G CA 1.110 46.184 45.100 -0.044 0.000 0.755 78 G HN 0.509 nan 8.290 nan 0.000 0.565 79 F N 0.089 120.132 119.950 0.155 0.000 2.727 79 F HA 0.391 4.918 4.527 -0.000 0.000 0.302 79 F C 1.862 177.696 175.800 0.056 0.000 1.097 79 F CA 0.413 58.504 58.000 0.150 0.000 1.330 79 F CB 0.866 40.016 39.000 0.250 0.000 1.084 79 F HN 0.259 nan 8.300 nan 0.000 0.578 80 G N -1.161 107.728 108.800 0.149 0.000 2.175 80 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.182 80 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.182 80 G C -0.316 174.474 174.900 -0.182 0.000 1.003 80 G CA -0.906 44.151 45.100 -0.072 0.000 0.666 80 G HN 0.190 nan 8.290 nan 0.000 0.506 81 W N 1.421 122.799 121.300 0.130 0.000 2.266 81 W HA 0.648 5.308 4.660 -0.000 0.000 0.317 81 W C 0.641 177.202 176.519 0.070 0.000 1.310 81 W CA -0.222 57.216 57.345 0.156 0.000 1.207 81 W CB 0.641 30.256 29.460 0.258 0.000 1.199 81 W HN 0.129 nan 8.180 nan 0.000 0.544 82 E N 3.019 123.392 120.200 0.288 0.000 2.248 82 E HA 0.669 5.019 4.350 -0.000 0.000 0.267 82 E C -1.038 175.724 176.600 0.270 0.000 0.877 82 E CA -0.963 55.489 56.400 0.087 0.000 0.759 82 E CB 1.901 31.620 29.700 0.032 0.000 1.182 82 E HN 0.305 nan 8.360 nan 0.000 0.418 83 F N -1.049 118.974 119.950 0.121 0.000 2.769 83 F HA 0.247 4.774 4.527 -0.000 0.000 0.313 83 F C -1.229 174.614 175.800 0.072 0.000 1.146 83 F CA -1.438 56.620 58.000 0.098 0.000 0.934 83 F CB 0.586 39.651 39.000 0.108 0.000 1.283 83 F HN 0.177 nan 8.300 nan 0.000 0.443 84 D N 1.604 122.176 120.400 0.288 0.000 2.346 84 D HA 0.238 4.878 4.640 -0.000 0.000 0.267 84 D C 1.320 177.769 176.300 0.248 0.000 1.320 84 D CA 0.894 55.000 54.000 0.176 0.000 0.951 84 D CB 1.297 42.184 40.800 0.144 0.000 1.079 84 D HN 0.877 nan 8.370 nan 0.000 0.509 85 G N 2.468 111.336 108.800 0.113 0.000 2.470 85 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.220 85 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.220 85 G C 1.418 176.393 174.900 0.125 0.000 1.121 85 G CA 0.924 46.102 45.100 0.131 0.000 0.766 85 G HN 0.548 nan 8.290 nan 0.000 0.553 86 S N 0.671 116.426 115.700 0.092 0.000 2.527 86 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 86 S C 2.218 176.863 174.600 0.076 0.000 0.985 86 S CA 1.184 59.426 58.200 0.070 0.000 0.921 86 S CB -0.204 63.026 63.200 0.050 0.000 0.772 86 S HN 0.442 nan 8.310 nan 0.000 0.529 87 S N 0.566 116.326 115.700 0.099 0.000 2.558 87 S HA 0.245 4.715 4.470 -0.000 0.000 0.217 87 S C 0.434 175.079 174.600 0.074 0.000 0.975 87 S CA -0.318 57.930 58.200 0.081 0.000 0.912 87 S CB -0.468 62.781 63.200 0.083 0.000 0.776 87 S HN 0.287 nan 8.310 nan 0.000 0.526 88 V N 2.787 122.759 119.914 0.096 0.000 2.508 88 V HA 0.421 4.540 4.120 -0.000 0.000 0.281 88 V C 0.110 176.234 176.094 0.051 0.000 1.041 88 V CA -0.011 62.335 62.300 0.077 0.000 1.016 88 V CB 0.784 32.685 31.823 0.129 0.000 0.984 88 V HN 0.420 nan 8.190 nan 0.000 0.478 89 K N 3.765 124.183 120.400 0.030 0.000 2.525 89 K HA 0.691 5.011 4.320 -0.000 0.000 0.254 89 K C -1.053 175.563 176.600 0.027 0.000 0.934 89 K CA -0.650 55.657 56.287 0.034 0.000 0.802 89 K CB 2.235 34.762 32.500 0.046 0.000 1.295 89 K HN 0.700 nan 8.250 nan 0.000 0.433 90 A N 3.594 126.432 122.820 0.029 0.000 2.279 90 A HA 0.251 4.570 4.320 -0.000 0.000 0.306 90 A C -0.420 177.304 177.584 0.232 0.000 1.300 90 A CA -0.551 51.504 52.037 0.031 0.000 0.925 90 A CB 0.067 18.962 19.000 -0.175 0.000 1.152 90 A HN 0.631 nan 8.150 nan 0.000 0.544 91 N N 3.351 122.214 118.700 0.270 0.000 2.558 91 N HA -0.004 4.736 4.740 -0.000 0.000 0.233 91 N C 0.836 176.568 175.510 0.371 0.000 1.038 91 N CA -0.601 52.617 53.050 0.280 0.000 0.934 91 N CB 0.208 38.786 38.487 0.150 0.000 1.175 91 N HN 0.883 nan 8.380 nan 0.000 0.512 92 W N 4.825 126.257 121.300 0.221 0.000 2.358 92 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 92 W C 0.790 177.296 176.519 -0.022 0.000 1.208 92 W CA 1.143 58.502 57.345 0.023 0.000 1.274 92 W CB 0.237 29.737 29.460 0.067 0.000 1.138 92 W HN 0.488 nan 8.180 nan 0.000 0.515 93 K N 0.204 120.712 120.400 0.180 0.000 2.063 93 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 93 K C 2.222 178.788 176.600 -0.056 0.000 1.048 93 K CA 1.386 57.705 56.287 0.054 0.000 0.928 93 K CB -0.336 32.239 32.500 0.124 0.000 0.713 93 K HN -0.125 nan 8.250 nan 0.000 0.442 94 K N 1.061 121.449 120.400 -0.019 0.000 2.057 94 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 94 K C 2.144 178.674 176.600 -0.117 0.000 1.050 94 K CA 0.833 57.096 56.287 -0.040 0.000 0.935 94 K CB -0.262 32.241 32.500 0.005 0.000 0.715 94 K HN 0.063 nan 8.250 nan 0.000 0.439 95 L N 1.435 122.547 121.223 -0.185 0.000 2.017 95 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 95 L C 2.061 178.688 176.870 -0.404 0.000 1.073 95 L CA 1.507 56.160 54.840 -0.311 0.000 0.745 95 L CB -0.428 41.316 42.059 -0.524 0.000 0.894 95 L HN 0.058 nan 8.230 nan 0.000 0.432 96 I N 0.113 120.362 120.570 -0.535 0.000 2.252 96 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 96 I C 2.677 178.640 176.117 -0.257 0.000 1.102 96 I CA 1.406 62.414 61.300 -0.487 0.000 1.385 96 I CB -1.906 35.764 38.000 -0.550 0.000 1.064 96 I HN 0.381 nan 8.210 nan 0.000 0.414 97 A N 0.789 123.505 122.820 -0.172 0.000 1.933 97 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 97 A C 2.554 180.081 177.584 -0.095 0.000 1.175 97 A CA 1.831 53.815 52.037 -0.089 0.000 0.628 97 A CB -0.602 18.369 19.000 -0.048 0.000 0.814 97 A HN 0.410 nan 8.150 nan 0.000 0.444 98 A N -0.148 122.597 122.820 -0.124 0.000 1.872 98 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 98 A C 2.166 179.669 177.584 -0.134 0.000 1.187 98 A CA 1.788 53.758 52.037 -0.111 0.000 0.614 98 A CB -0.436 18.500 19.000 -0.107 0.000 0.826 98 A HN 0.378 nan 8.150 nan 0.000 0.442 99 K N 0.231 120.522 120.400 -0.182 0.000 2.063 99 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 99 K C 1.545 178.007 176.600 -0.230 0.000 1.048 99 K CA 2.014 58.175 56.287 -0.210 0.000 0.928 99 K CB -0.474 31.871 32.500 -0.258 0.000 0.713 99 K HN 0.397 nan 8.250 nan 0.000 0.442 100 N N 1.370 119.950 118.700 -0.200 0.000 2.120 100 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 100 N C 1.744 177.206 175.510 -0.080 0.000 1.024 100 N CA 1.050 54.000 53.050 -0.167 0.000 0.852 100 N CB -0.225 38.277 38.487 0.026 0.000 1.003 100 N HN 0.375 nan 8.380 nan 0.000 0.424 101 E N 0.402 120.571 120.200 -0.052 0.000 2.038 101 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 101 E C 1.804 178.368 176.600 -0.060 0.000 1.000 101 E CA 1.237 57.618 56.400 -0.032 0.000 0.803 101 E CB -0.073 29.602 29.700 -0.042 0.000 0.750 101 E HN 0.348 nan 8.360 nan 0.000 0.448 102 A N 0.401 123.163 122.820 -0.097 0.000 1.908 102 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 102 A C 2.402 179.916 177.584 -0.116 0.000 1.181 102 A CA 1.588 53.562 52.037 -0.105 0.000 0.627 102 A CB -0.653 18.276 19.000 -0.118 0.000 0.818 102 A HN 0.208 nan 8.150 nan 0.000 0.445 103 V N -0.551 119.260 119.914 -0.171 0.000 2.323 103 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 103 V C 2.448 178.518 176.094 -0.040 0.000 1.041 103 V CA 1.759 63.949 62.300 -0.182 0.000 1.025 103 V CB -0.791 30.781 31.823 -0.419 0.000 0.656 103 V HN 0.548 nan 8.190 nan 0.000 0.451 104 L N 0.539 121.783 121.223 0.034 0.000 2.013 104 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 104 L C 2.109 179.000 176.870 0.034 0.000 1.073 104 L CA 2.213 57.131 54.840 0.130 0.000 0.753 104 L CB -0.911 41.234 42.059 0.143 0.000 0.890 104 L HN 0.312 nan 8.230 nan 0.000 0.432 105 D N -0.579 119.812 120.400 -0.014 0.000 2.133 105 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 105 D C 2.255 178.504 176.300 -0.084 0.000 0.997 105 D CA 1.848 55.819 54.000 -0.049 0.000 0.840 105 D CB -0.170 40.591 40.800 -0.066 0.000 0.947 105 D HN 0.444 nan 8.370 nan 0.000 0.452 106 I N 0.538 121.054 120.570 -0.090 0.000 2.202 106 I HA -0.249 3.920 4.170 -0.000 0.000 0.242 106 I C 1.860 177.919 176.117 -0.097 0.000 1.091 106 I CA 0.942 62.148 61.300 -0.157 0.000 1.368 106 I CB -0.330 37.599 38.000 -0.119 0.000 1.058 106 I HN 0.003 nan 8.210 nan 0.000 0.410 107 N N 1.018 119.742 118.700 0.041 0.000 2.037 107 N HA -0.243 4.497 4.740 -0.000 0.000 0.196 107 N C 1.750 177.283 175.510 0.037 0.000 1.034 107 N CA 1.490 54.600 53.050 0.100 0.000 0.861 107 N CB -0.165 38.379 38.487 0.096 0.000 1.039 107 N HN 0.324 nan 8.380 nan 0.000 0.427 108 K N 0.363 120.758 120.400 -0.008 0.000 2.097 108 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 108 K C 2.372 178.945 176.600 -0.045 0.000 1.049 108 K CA 1.515 57.788 56.287 -0.023 0.000 0.933 108 K CB -0.133 32.352 32.500 -0.025 0.000 0.717 108 K HN 0.268 nan 8.250 nan 0.000 0.442 109 S N 0.040 115.671 115.700 -0.116 0.000 2.428 109 S HA -0.123 4.346 4.470 -0.000 0.000 0.230 109 S C 1.842 176.344 174.600 -0.164 0.000 1.014 109 S CA 0.583 58.683 58.200 -0.167 0.000 0.957 109 S CB -0.424 62.627 63.200 -0.250 0.000 0.784 109 S HN 0.208 nan 8.310 nan 0.000 0.499 110 Y N 2.226 122.508 120.300 -0.029 0.000 2.200 110 Y HA 0.055 4.605 4.550 -0.000 0.000 0.290 110 Y C 2.620 178.582 175.900 0.102 0.000 1.137 110 Y CA 0.912 59.024 58.100 0.020 0.000 1.163 110 Y CB -0.733 37.747 38.460 0.033 0.000 0.988 110 Y HN 0.369 nan 8.280 nan 0.000 0.518 111 E N -0.498 119.793 120.200 0.152 0.000 2.038 111 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 111 E C 2.568 179.250 176.600 0.137 0.000 1.000 111 E CA 1.116 57.565 56.400 0.081 0.000 0.803 111 E CB -0.639 29.053 29.700 -0.013 0.000 0.750 111 E HN 0.546 nan 8.360 nan 0.000 0.448 112 G N 1.495 110.339 108.800 0.074 0.000 2.476 112 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 112 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 112 G C 1.518 176.467 174.900 0.082 0.000 1.164 112 G CA 1.136 46.271 45.100 0.057 0.000 0.768 112 G HN 0.188 nan 8.290 nan 0.000 0.560 113 M N -0.643 119.003 119.600 0.076 0.000 2.082 113 M HA -0.086 4.394 4.480 -0.000 0.000 0.258 113 M C 2.387 178.721 176.300 0.057 0.000 1.069 113 M CA 1.729 57.061 55.300 0.053 0.000 1.102 113 M CB -0.279 32.319 32.600 -0.004 0.000 1.336 113 M HN 0.238 nan 8.290 nan 0.000 0.404 114 F N 0.855 120.868 119.950 0.104 0.000 2.102 114 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 114 F C 2.018 177.860 175.800 0.071 0.000 1.105 114 F CA 2.250 60.308 58.000 0.096 0.000 1.239 114 F CB -0.844 38.194 39.000 0.062 0.000 0.991 114 F HN 0.358 nan 8.300 nan 0.000 0.474 115 N N -0.348 118.488 118.700 0.227 0.000 2.223 115 N HA -0.175 4.564 4.740 -0.000 0.000 0.185 115 N C 0.960 176.529 175.510 0.098 0.000 1.016 115 N CA 1.219 54.350 53.050 0.135 0.000 0.863 115 N CB -0.121 38.422 38.487 0.092 0.000 0.983 115 N HN 0.215 nan 8.380 nan 0.000 0.429 116 D N -0.259 120.196 120.400 0.092 0.000 2.271 116 D HA 0.011 4.651 4.640 -0.000 0.000 0.206 116 D C 0.075 176.414 176.300 0.065 0.000 0.967 116 D CA 0.789 54.830 54.000 0.069 0.000 0.867 116 D CB 0.080 40.918 40.800 0.065 0.000 0.960 116 D HN 0.063 nan 8.370 nan 0.000 0.509 117 T N 1.533 116.131 114.554 0.073 0.000 2.738 117 T HA 0.220 4.569 4.350 -0.000 0.000 0.298 117 T C 0.112 174.824 174.700 0.021 0.000 0.962 117 T CA -0.558 61.562 62.100 0.033 0.000 0.972 117 T CB 1.652 70.542 68.868 0.037 0.000 0.928 117 T HN -0.140 nan 8.240 nan 0.000 0.474 118 E N 2.255 122.454 120.200 -0.000 0.000 2.415 118 E HA 0.372 4.722 4.350 -0.000 0.000 0.263 118 E C 1.326 177.923 176.600 -0.005 0.000 0.995 118 E CA 1.123 57.526 56.400 0.005 0.000 0.915 118 E CB -0.194 29.500 29.700 -0.011 0.000 0.951 118 E HN 0.838 nan 8.360 nan 0.000 0.449 119 G N 3.191 112.014 108.800 0.038 0.000 2.176 119 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 119 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 119 G C -0.365 174.604 174.900 0.114 0.000 0.979 119 G CA 0.256 45.390 45.100 0.056 0.000 0.641 119 G HN 0.605 nan 8.290 nan 0.000 0.530 120 L N 1.168 122.468 121.223 0.128 0.000 2.404 120 L HA 0.819 5.159 4.340 -0.000 0.000 0.272 120 L C -1.527 175.555 176.870 0.353 0.000 0.980 120 L CA -1.001 53.948 54.840 0.182 0.000 0.836 120 L CB 1.783 43.850 42.059 0.013 0.000 1.238 120 L HN 0.026 nan 8.230 nan 0.000 0.408 121 D N 3.734 124.389 120.400 0.425 0.000 2.575 121 D HA 0.383 5.022 4.640 -0.000 0.000 0.236 121 D C -1.354 175.000 176.300 0.089 0.000 1.075 121 D CA 0.029 54.203 54.000 0.291 0.000 0.860 121 D CB 2.284 43.157 40.800 0.122 0.000 1.475 121 D HN 0.304 nan 8.370 nan 0.000 0.474 122 F N 1.338 120.977 119.950 -0.518 0.000 2.425 122 F HA 0.613 5.140 4.527 -0.000 0.000 0.331 122 F C -1.301 173.966 175.800 -0.888 0.000 1.085 122 F CA -0.821 56.679 58.000 -0.833 0.000 1.028 122 F CB 0.770 39.029 39.000 -1.235 0.000 1.177 122 F HN 0.105 nan 8.300 nan 0.000 0.487 123 F N 6.229 125.459 119.950 -1.201 0.000 2.536 123 F HA 0.419 4.946 4.527 -0.000 0.000 0.322 123 F C -0.879 174.204 175.800 -1.195 0.000 1.144 123 F CA -0.994 56.476 58.000 -0.883 0.000 0.924 123 F CB 1.591 40.295 39.000 -0.493 0.000 1.181 123 F HN 0.303 nan 8.300 nan 0.000 0.438 124 L N 3.616 124.530 121.223 -0.515 0.000 2.331 124 L HA 0.857 5.196 4.340 -0.000 0.000 0.278 124 L C 0.223 177.001 176.870 -0.153 0.000 1.106 124 L CA 0.667 55.347 54.840 -0.266 0.000 0.824 124 L CB 0.288 42.363 42.059 0.026 0.000 1.142 124 L HN 0.810 nan 8.230 nan 0.000 0.443 125 G N 3.020 111.700 108.800 -0.200 0.000 2.278 125 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.265 125 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.265 125 G C -2.058 172.669 174.900 -0.288 0.000 1.329 125 G CA -0.559 44.465 45.100 -0.125 0.000 1.017 125 G HN 0.560 nan 8.290 nan 0.000 0.472 126 W N 1.162 122.370 121.300 -0.153 0.000 2.361 126 W HA 0.613 5.273 4.660 -0.000 0.000 0.314 126 W C 0.599 177.029 176.519 -0.148 0.000 1.041 126 W CA 0.163 57.403 57.345 -0.174 0.000 1.241 126 W CB 1.901 31.241 29.460 -0.200 0.000 1.279 126 W HN 0.908 nan 8.180 nan 0.000 0.436 127 G N 2.069 110.880 108.800 0.018 0.000 2.356 127 G HA2 0.570 4.530 3.960 -0.000 0.000 0.298 127 G HA3 0.570 4.530 3.960 -0.000 0.000 0.298 127 G C -0.459 174.442 174.900 0.003 0.000 1.145 127 G CA -0.395 44.684 45.100 -0.034 0.000 0.850 127 G HN 0.426 nan 8.290 nan 0.000 0.487 128 S N 0.717 116.406 115.700 -0.018 0.000 2.651 128 S HA 0.615 5.085 4.470 -0.000 0.000 0.279 128 S C -1.188 173.392 174.600 -0.033 0.000 1.148 128 S CA -0.921 57.269 58.200 -0.017 0.000 0.837 128 S CB 1.572 64.763 63.200 -0.014 0.000 1.138 128 S HN 0.313 nan 8.310 nan 0.000 0.478 129 L N 2.227 123.432 121.223 -0.030 0.000 2.312 129 L HA 0.484 4.824 4.340 -0.000 0.000 0.287 129 L C 1.461 178.309 176.870 -0.037 0.000 1.091 129 L CA 0.217 55.036 54.840 -0.035 0.000 0.846 129 L CB 0.058 42.096 42.059 -0.033 0.000 1.219 129 L HN 1.024 nan 8.230 nan 0.000 0.439 130 E N 1.611 121.787 120.200 -0.040 0.000 2.016 130 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 130 E C 0.327 176.905 176.600 -0.037 0.000 0.985 130 E CA 1.196 57.573 56.400 -0.039 0.000 0.802 130 E CB 0.451 30.127 29.700 -0.041 0.000 0.762 130 E HN 0.738 nan 8.360 nan 0.000 0.448 131 S N -1.863 113.814 115.700 -0.038 0.000 2.819 131 S HA 0.250 4.720 4.470 -0.000 0.000 0.299 131 S C 0.387 174.962 174.600 -0.041 0.000 1.192 131 S CA -0.763 57.414 58.200 -0.038 0.000 0.847 131 S CB 0.978 64.157 63.200 -0.035 0.000 1.224 131 S HN 0.123 nan 8.310 nan 0.000 0.537 132 K N 0.401 120.774 120.400 -0.044 0.000 2.218 132 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 132 K C 0.026 176.592 176.600 -0.057 0.000 1.046 132 K CA 1.902 58.156 56.287 -0.054 0.000 0.933 132 K CB -0.374 32.093 32.500 -0.055 0.000 0.728 132 K HN 0.613 nan 8.250 nan 0.000 0.454 133 N N -0.758 117.914 118.700 -0.046 0.000 2.387 133 N HA 0.126 4.866 4.740 -0.000 0.000 0.259 133 N C -1.946 173.550 175.510 -0.024 0.000 1.369 133 N CA -0.290 52.737 53.050 -0.039 0.000 0.867 133 N CB 2.048 40.508 38.487 -0.044 0.000 1.341 133 N HN -0.176 nan 8.380 nan 0.000 0.495 134 V N 1.202 121.099 119.914 -0.030 0.000 2.447 134 V HA 0.409 4.529 4.120 -0.000 0.000 0.292 134 V C -0.360 175.709 176.094 -0.042 0.000 1.021 134 V CA -0.819 61.462 62.300 -0.031 0.000 0.850 134 V CB 1.827 33.628 31.823 -0.035 0.000 1.005 134 V HN -0.170 nan 8.190 nan 0.000 0.426 135 V N 5.725 125.607 119.914 -0.052 0.000 2.439 135 V HA 0.539 4.659 4.120 -0.000 0.000 0.282 135 V C 0.079 176.115 176.094 -0.097 0.000 1.039 135 V CA -0.546 61.710 62.300 -0.073 0.000 0.913 135 V CB 1.958 33.724 31.823 -0.094 0.000 0.983 135 V HN 0.732 nan 8.190 nan 0.000 0.460 136 V N 3.381 123.244 119.914 -0.084 0.000 2.547 136 V HA 0.713 4.833 4.120 -0.000 0.000 0.299 136 V C -0.359 175.680 176.094 -0.091 0.000 1.040 136 V CA -0.673 61.573 62.300 -0.089 0.000 0.913 136 V CB 1.695 33.481 31.823 -0.061 0.000 0.992 136 V HN 0.463 nan 8.190 nan 0.000 0.449 137 V N 5.582 125.429 119.914 -0.113 0.000 2.311 137 V HA 0.507 4.627 4.120 -0.000 0.000 0.275 137 V C 0.462 176.541 176.094 -0.025 0.000 1.022 137 V CA -0.383 61.863 62.300 -0.090 0.000 0.830 137 V CB 0.699 32.422 31.823 -0.166 0.000 1.012 137 V HN 0.942 nan 8.190 nan 0.000 0.452 138 R N 2.361 122.880 120.500 0.032 0.000 2.536 138 R HA 0.332 4.672 4.340 -0.000 0.000 0.279 138 R C 0.948 177.315 176.300 0.112 0.000 1.001 138 R CA -0.660 55.467 56.100 0.044 0.000 1.027 138 R CB 1.648 31.954 30.300 0.011 0.000 1.096 138 R HN 0.676 nan 8.270 nan 0.000 0.502 139 E N 0.361 120.606 120.200 0.075 0.000 2.130 139 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 139 E C 0.460 177.159 176.600 0.166 0.000 0.998 139 E CA 1.785 58.251 56.400 0.110 0.000 0.806 139 E CB 0.289 30.025 29.700 0.061 0.000 0.738 139 E HN 0.687 nan 8.360 nan 0.000 0.459 140 T N -5.565 108.982 114.554 -0.012 0.000 2.804 140 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 140 T C 0.868 175.018 174.700 -0.916 0.000 1.099 140 T CA -0.377 61.478 62.100 -0.407 0.000 1.011 140 T CB 1.053 69.741 68.868 -0.300 0.000 1.291 140 T HN -0.103 nan 8.240 nan 0.000 0.523 141 A N 0.025 121.836 122.820 -1.682 0.000 2.067 141 A HA 0.114 4.433 4.320 -0.000 0.000 0.219 141 A C 1.060 178.298 177.584 -0.578 0.000 1.158 141 A CA 1.045 52.293 52.037 -1.316 0.000 0.661 141 A CB -1.042 16.970 19.000 -1.645 0.000 0.801 141 A HN 0.861 nan 8.150 nan 0.000 0.452 142 D N 0.387 120.521 120.400 -0.442 0.000 2.434 142 D HA 0.071 4.711 4.640 -0.000 0.000 0.252 142 D C -1.506 174.681 176.300 -0.189 0.000 1.185 142 D CA -1.797 52.052 54.000 -0.253 0.000 0.886 142 D CB 0.996 41.684 40.800 -0.188 0.000 1.148 142 D HN 0.156 nan 8.370 nan 0.000 0.483 143 P HA -0.078 nan 4.420 nan 0.000 0.239 143 P C 0.295 177.548 177.300 -0.077 0.000 1.184 143 P CA 0.707 63.746 63.100 -0.101 0.000 0.760 143 P CB 0.296 31.946 31.700 -0.084 0.000 0.884 144 K N -0.290 120.062 120.400 -0.080 0.000 2.374 144 K HA 0.128 4.447 4.320 -0.000 0.000 0.202 144 K C 0.964 177.532 176.600 -0.054 0.000 1.040 144 K CA 0.039 56.290 56.287 -0.059 0.000 1.085 144 K CB 0.507 32.975 32.500 -0.053 0.000 0.873 144 K HN 0.166 nan 8.250 nan 0.000 0.539 145 S N 1.001 116.661 115.700 -0.068 0.000 2.589 145 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 145 S C 0.493 175.075 174.600 -0.031 0.000 1.342 145 S CA -0.799 57.370 58.200 -0.052 0.000 1.005 145 S CB 1.009 64.168 63.200 -0.069 0.000 0.909 145 S HN 0.217 nan 8.310 nan 0.000 0.555 146 A N 1.645 124.456 122.820 -0.014 0.000 2.546 146 A HA 0.365 4.685 4.320 -0.000 0.000 0.243 146 A C 0.260 177.841 177.584 -0.004 0.000 1.063 146 A CA -0.563 51.471 52.037 -0.006 0.000 0.757 146 A CB -0.459 18.544 19.000 0.006 0.000 0.991 146 A HN 0.913 nan 8.150 nan 0.000 0.503 147 V N 5.003 124.910 119.914 -0.011 0.000 2.425 147 V HA -0.035 4.085 4.120 -0.000 0.000 0.276 147 V C 1.271 177.362 176.094 -0.006 0.000 1.017 147 V CA 0.648 62.939 62.300 -0.015 0.000 1.062 147 V CB 0.221 32.029 31.823 -0.025 0.000 0.997 147 V HN 1.060 nan 8.190 nan 0.000 0.476 148 K N 3.121 123.520 120.400 -0.003 0.000 2.076 148 K HA 0.109 4.429 4.320 -0.000 0.000 0.204 148 K C 0.412 177.009 176.600 -0.006 0.000 1.051 148 K CA 0.763 57.056 56.287 0.009 0.000 0.949 148 K CB 0.270 32.784 32.500 0.023 0.000 0.726 148 K HN 0.603 nan 8.250 nan 0.000 0.443 149 E N 0.400 120.567 120.200 -0.056 0.000 2.356 149 E HA 0.235 4.585 4.350 -0.000 0.000 0.275 149 E C -1.395 175.132 176.600 -0.122 0.000 0.904 149 E CA -0.623 55.716 56.400 -0.101 0.000 0.757 149 E CB 2.580 32.140 29.700 -0.234 0.000 1.232 149 E HN -0.004 nan 8.360 nan 0.000 0.442 150 R N 3.009 123.449 120.500 -0.100 0.000 2.337 150 R HA 0.461 4.801 4.340 -0.000 0.000 0.319 150 R C -1.037 175.212 176.300 -0.085 0.000 0.954 150 R CA -0.386 55.660 56.100 -0.090 0.000 0.840 150 R CB 0.453 30.715 30.300 -0.064 0.000 1.164 150 R HN 0.395 nan 8.270 nan 0.000 0.472 151 L N 5.011 126.174 121.223 -0.099 0.000 2.307 151 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 151 L C -0.027 176.861 176.870 0.030 0.000 1.023 151 L CA -0.977 53.846 54.840 -0.029 0.000 0.810 151 L CB 1.851 43.831 42.059 -0.132 0.000 1.231 151 L HN 0.640 nan 8.230 nan 0.000 0.423 152 Q N 2.586 122.435 119.800 0.082 0.000 2.267 152 Q HA 0.723 5.063 4.340 -0.000 0.000 0.255 152 Q C -0.937 175.145 176.000 0.135 0.000 0.923 152 Q CA -0.651 55.191 55.803 0.066 0.000 0.925 152 Q CB 1.957 30.711 28.738 0.027 0.000 1.195 152 Q HN 0.672 nan 8.270 nan 0.000 0.417 153 A N 3.336 126.209 122.820 0.089 0.000 2.343 153 A HA 0.349 4.669 4.320 -0.000 0.000 0.308 153 A C -0.576 177.039 177.584 0.051 0.000 1.092 153 A CA -0.798 51.312 52.037 0.122 0.000 0.751 153 A CB 1.371 20.425 19.000 0.089 0.000 1.203 153 A HN 0.863 nan 8.150 nan 0.000 0.452 154 D N 0.716 121.151 120.400 0.060 0.000 2.149 154 D HA 0.011 4.651 4.640 -0.000 0.000 0.201 154 D C 0.221 176.281 176.300 -0.399 0.000 0.972 154 D CA 1.741 55.648 54.000 -0.155 0.000 0.835 154 D CB 0.052 40.786 40.800 -0.111 0.000 0.966 154 D HN 0.679 nan 8.370 nan 0.000 0.476 155 H N -0.961 118.231 119.070 0.203 0.000 2.768 155 H HA 0.515 5.071 4.556 -0.000 0.000 0.371 155 H C -0.372 175.077 175.328 0.202 0.000 1.151 155 H CA -0.631 55.557 56.048 0.234 0.000 1.165 155 H CB 2.149 32.145 29.762 0.390 0.000 1.722 155 H HN -0.149 nan 8.280 nan 0.000 0.543 156 I N 3.125 123.836 120.570 0.234 0.000 2.466 156 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 156 I C -0.918 175.317 176.117 0.197 0.000 1.026 156 I CA -0.819 60.570 61.300 0.149 0.000 1.078 156 I CB 2.390 40.406 38.000 0.027 0.000 1.249 156 I HN 0.122 nan 8.210 nan 0.000 0.429 157 L N 7.749 129.099 121.223 0.210 0.000 2.305 157 L HA 0.524 4.864 4.340 -0.000 0.000 0.284 157 L C -0.896 176.049 176.870 0.125 0.000 1.013 157 L CA -0.276 54.696 54.840 0.220 0.000 0.819 157 L CB 1.276 43.470 42.059 0.225 0.000 1.227 157 L HN 0.433 nan 8.230 nan 0.000 0.417 158 L N 6.203 127.490 121.223 0.107 0.000 2.278 158 L HA 0.585 4.925 4.340 -0.000 0.000 0.287 158 L C 0.514 177.430 176.870 0.077 0.000 1.072 158 L CA -0.172 54.710 54.840 0.069 0.000 0.819 158 L CB 1.026 43.117 42.059 0.054 0.000 1.176 158 L HN 0.873 nan 8.230 nan 0.000 0.435 159 A N 1.116 123.973 122.820 0.063 0.000 2.676 159 A HA 0.186 4.506 4.320 -0.000 0.000 0.258 159 A C 0.988 178.602 177.584 0.051 0.000 0.898 159 A CA -0.090 51.986 52.037 0.066 0.000 1.087 159 A CB -0.077 18.969 19.000 0.076 0.000 1.214 159 A HN 0.709 nan 8.150 nan 0.000 0.474 160 T N -3.124 111.455 114.554 0.043 0.000 3.148 160 T HA 0.421 4.770 4.350 -0.000 0.000 0.253 160 T C 1.392 176.132 174.700 0.066 0.000 1.134 160 T CA 1.195 63.314 62.100 0.032 0.000 1.051 160 T CB -0.385 68.491 68.868 0.014 0.000 0.959 160 T HN 1.991 nan 8.240 nan 0.000 0.525 161 G N 1.782 110.630 108.800 0.081 0.000 2.566 161 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.280 161 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.280 161 G C 0.042 175.025 174.900 0.138 0.000 1.225 161 G CA 0.280 45.445 45.100 0.108 0.000 0.966 161 G HN 1.562 nan 8.290 nan 0.000 0.560 162 S N -1.544 114.267 115.700 0.185 0.000 2.811 162 S HA 0.816 5.286 4.470 -0.000 0.000 0.311 162 S C -0.854 173.983 174.600 0.395 0.000 1.152 162 S CA 0.068 58.405 58.200 0.228 0.000 0.864 162 S CB 2.709 66.005 63.200 0.159 0.000 1.226 162 S HN 1.616 nan 8.310 nan 0.000 0.541 163 W N 0.847 122.191 121.300 0.074 0.000 3.296 163 W HA 0.415 5.075 4.660 -0.000 0.000 0.314 163 W C -3.349 173.212 176.519 0.070 0.000 1.238 163 W CA -2.245 55.150 57.345 0.082 0.000 1.193 163 W CB 1.931 31.445 29.460 0.090 0.000 1.383 163 W HN 0.494 nan 8.180 nan 0.000 0.545 164 P HA 0.015 nan 4.420 nan 0.000 0.271 164 P C -0.731 176.543 177.300 -0.043 0.000 1.216 164 P CA 0.404 63.388 63.100 -0.193 0.000 0.771 164 P CB 0.704 32.204 31.700 -0.333 0.000 0.864 165 Q N 2.312 122.126 119.800 0.022 0.000 2.314 165 Q HA 0.360 4.700 4.340 -0.000 0.000 0.258 165 Q C -0.832 175.185 176.000 0.029 0.000 0.954 165 Q CA -0.099 55.739 55.803 0.058 0.000 0.890 165 Q CB 0.419 29.196 28.738 0.064 0.000 1.210 165 Q HN 0.346 nan 8.270 nan 0.000 0.410 166 M N 5.339 124.965 119.600 0.044 0.000 2.204 166 M HA 0.386 4.866 4.480 -0.000 0.000 0.293 166 M C -2.348 173.969 176.300 0.028 0.000 0.994 166 M CA -2.300 53.015 55.300 0.025 0.000 0.925 166 M CB 1.248 33.864 32.600 0.028 0.000 1.577 166 M HN 0.515 nan 8.290 nan 0.000 0.439 167 P HA 0.254 nan 4.420 nan 0.000 0.271 167 P C -0.392 176.912 177.300 0.007 0.000 1.216 167 P CA -0.333 62.775 63.100 0.014 0.000 0.776 167 P CB 0.543 32.246 31.700 0.005 0.000 0.881 168 A N 4.617 127.443 122.820 0.010 0.000 3.030 168 A HA 0.329 4.649 4.320 -0.000 0.000 0.273 168 A C 0.849 178.430 177.584 -0.005 0.000 1.841 168 A CA -0.475 51.565 52.037 0.004 0.000 1.479 168 A CB -1.677 17.327 19.000 0.008 0.000 1.048 168 A HN 0.585 nan 8.150 nan 0.000 0.612 169 I N -1.893 118.669 120.570 -0.013 0.000 2.750 169 I HA 0.643 4.813 4.170 -0.000 0.000 0.308 169 I C -2.639 173.465 176.117 -0.021 0.000 1.016 169 I CA -3.181 58.107 61.300 -0.020 0.000 1.098 169 I CB 1.485 39.465 38.000 -0.033 0.000 1.279 169 I HN 0.032 nan 8.210 nan 0.000 0.454 170 P HA 0.186 nan 4.420 nan 0.000 0.267 170 P C 0.587 177.882 177.300 -0.008 0.000 1.209 170 P CA 0.632 63.726 63.100 -0.010 0.000 0.763 170 P CB 0.613 32.314 31.700 0.002 0.000 0.816 171 G N 3.136 111.919 108.800 -0.029 0.000 2.130 171 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 171 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 171 G C 0.669 175.518 174.900 -0.085 0.000 0.999 171 G CA 0.013 45.093 45.100 -0.033 0.000 0.686 171 G HN 0.516 nan 8.290 nan 0.000 0.515 172 I N 1.843 122.362 120.570 -0.086 0.000 2.335 172 I HA -0.091 4.079 4.170 -0.000 0.000 0.251 172 I C 2.582 178.636 176.117 -0.105 0.000 1.129 172 I CA 2.276 63.534 61.300 -0.069 0.000 1.402 172 I CB -0.125 37.850 38.000 -0.042 0.000 1.069 172 I HN 0.504 nan 8.210 nan 0.000 0.424 173 E N -0.437 119.645 120.200 -0.197 0.000 2.401 173 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 173 E C 1.159 177.610 176.600 -0.248 0.000 1.023 173 E CA 1.356 57.623 56.400 -0.222 0.000 0.859 173 E CB -0.936 28.626 29.700 -0.230 0.000 0.780 173 E HN 0.608 nan 8.360 nan 0.000 0.523 174 H N -0.324 118.741 119.070 -0.008 0.000 2.539 174 H HA 0.204 4.760 4.556 -0.000 0.000 0.269 174 H C 0.565 175.877 175.328 -0.026 0.000 0.980 174 H CA -0.138 55.902 56.048 -0.014 0.000 1.152 174 H CB -0.159 29.593 29.762 -0.018 0.000 1.407 174 H HN 0.147 nan 8.280 nan 0.000 0.564 175 C N 1.231 120.555 119.300 0.040 0.000 2.345 175 C HA 0.588 5.048 4.460 -0.000 0.000 0.369 175 C C 1.160 176.142 174.990 -0.013 0.000 1.273 175 C CA -0.650 58.369 59.018 0.002 0.000 2.310 175 C CB 0.987 28.714 27.740 -0.020 0.000 2.219 175 C HN 0.440 nan 8.230 nan 0.000 0.587 176 I N -0.432 120.114 120.570 -0.039 0.000 3.239 176 I HA 0.825 4.995 4.170 -0.000 0.000 0.314 176 I C -0.097 175.957 176.117 -0.105 0.000 1.126 176 I CA -0.265 60.999 61.300 -0.060 0.000 0.973 176 I CB 1.908 39.879 38.000 -0.048 0.000 1.252 176 I HN 0.663 nan 8.210 nan 0.000 0.463 177 S N 0.305 115.909 115.700 -0.159 0.000 2.786 177 S HA 0.391 4.861 4.470 -0.000 0.000 0.307 177 S C 1.025 175.460 174.600 -0.275 0.000 1.121 177 S CA 0.054 58.124 58.200 -0.216 0.000 0.975 177 S CB 1.111 64.142 63.200 -0.281 0.000 1.220 177 S HN 0.957 nan 8.310 nan 0.000 0.550 178 S N 1.292 116.808 115.700 -0.307 0.000 2.402 178 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 178 S C 1.474 175.998 174.600 -0.126 0.000 1.030 178 S CA 1.436 59.399 58.200 -0.394 0.000 1.003 178 S CB -1.142 61.965 63.200 -0.155 0.000 0.813 178 S HN 0.686 nan 8.310 nan 0.000 0.477 179 N N 2.321 120.912 118.700 -0.180 0.000 2.036 179 N HA -0.123 4.617 4.740 -0.000 0.000 0.195 179 N C 1.631 177.096 175.510 -0.074 0.000 1.037 179 N CA 2.012 54.896 53.050 -0.277 0.000 0.855 179 N CB -0.626 37.277 38.487 -0.973 0.000 1.033 179 N HN 0.572 nan 8.380 nan 0.000 0.423 180 E N 0.271 120.395 120.200 -0.128 0.000 2.358 180 E HA 0.157 4.507 4.350 -0.000 0.000 0.195 180 E C 1.771 178.525 176.600 0.256 0.000 1.010 180 E CA 0.553 57.038 56.400 0.142 0.000 0.856 180 E CB -0.231 29.509 29.700 0.067 0.000 0.795 180 E HN 0.363 nan 8.360 nan 0.000 0.504 181 A N 0.167 123.032 122.820 0.076 0.000 1.933 181 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 181 A C 1.575 179.324 177.584 0.275 0.000 1.175 181 A CA 0.936 53.022 52.037 0.081 0.000 0.628 181 A CB -0.699 18.038 19.000 -0.438 0.000 0.814 181 A HN 0.246 nan 8.150 nan 0.000 0.444 182 F N -2.172 117.932 119.950 0.257 0.000 2.546 182 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 182 F C 1.182 176.772 175.800 -0.350 0.000 1.120 182 F CA 0.994 58.997 58.000 0.005 0.000 1.456 182 F CB -0.244 38.719 39.000 -0.062 0.000 1.088 182 F HN 0.338 nan 8.300 nan 0.000 0.572 183 Y N -1.301 119.256 120.300 0.429 0.000 2.588 183 Y HA 0.313 4.863 4.550 -0.000 0.000 0.247 183 Y C 0.492 176.595 175.900 0.338 0.000 1.157 183 Y CA -0.857 57.450 58.100 0.346 0.000 1.215 183 Y CB -0.107 38.555 38.460 0.337 0.000 1.245 183 Y HN -0.278 nan 8.280 nan 0.000 0.534 184 L N 3.568 125.091 121.223 0.500 0.000 2.640 184 L HA -0.082 4.257 4.340 -0.000 0.000 0.280 184 L C -1.286 175.867 176.870 0.472 0.000 1.229 184 L CA -0.786 54.302 54.840 0.414 0.000 0.919 184 L CB 0.500 42.758 42.059 0.332 0.000 1.168 184 L HN 0.058 nan 8.230 nan 0.000 0.496 185 P HA -0.081 nan 4.420 nan 0.000 0.218 185 P C -0.141 177.339 177.300 0.299 0.000 1.149 185 P CA 1.269 64.533 63.100 0.274 0.000 0.817 185 P CB 0.321 32.124 31.700 0.171 0.000 0.785 186 E N -0.615 119.681 120.200 0.159 0.000 2.288 186 E HA 0.317 4.667 4.350 -0.000 0.000 0.268 186 E C -2.627 173.740 176.600 -0.389 0.000 0.885 186 E CA -2.717 53.686 56.400 0.004 0.000 0.767 186 E CB 1.375 31.061 29.700 -0.023 0.000 1.220 186 E HN 0.036 nan 8.360 nan 0.000 0.427 187 P HA 0.111 nan 4.420 nan 0.000 0.267 187 P C -2.416 174.596 177.300 -0.480 0.000 1.205 187 P CA -1.084 61.486 63.100 -0.883 0.000 0.765 187 P CB -0.363 31.059 31.700 -0.464 0.000 0.828 188 P HA 0.133 nan 4.420 nan 0.000 0.271 188 P C 0.892 178.027 177.300 -0.275 0.000 1.220 188 P CA -0.071 62.791 63.100 -0.397 0.000 0.768 188 P CB 0.979 32.340 31.700 -0.566 0.000 0.848 189 R N 3.779 124.172 120.500 -0.179 0.000 2.073 189 R HA -0.011 4.329 4.340 -0.000 0.000 0.229 189 R C 0.322 176.560 176.300 -0.103 0.000 1.120 189 R CA 0.968 57.001 56.100 -0.111 0.000 0.967 189 R CB 0.250 30.505 30.300 -0.075 0.000 0.862 189 R HN 0.442 nan 8.270 nan 0.000 0.436 190 R N 0.244 120.670 120.500 -0.122 0.000 2.476 190 R HA 0.405 4.745 4.340 -0.000 0.000 0.305 190 R C -1.771 174.437 176.300 -0.153 0.000 0.965 190 R CA -0.517 55.522 56.100 -0.101 0.000 0.867 190 R CB 2.705 32.967 30.300 -0.064 0.000 1.176 190 R HN 0.016 nan 8.270 nan 0.000 0.447 191 V N 4.961 124.785 119.914 -0.150 0.000 2.686 191 V HA 0.465 4.584 4.120 -0.000 0.000 0.306 191 V C -1.637 174.413 176.094 -0.073 0.000 1.065 191 V CA -0.974 61.209 62.300 -0.195 0.000 0.894 191 V CB 2.068 33.615 31.823 -0.460 0.000 1.004 191 V HN 0.624 nan 8.190 nan 0.000 0.424 192 L N 6.735 127.930 121.223 -0.047 0.000 2.265 192 L HA 0.713 5.053 4.340 -0.000 0.000 0.289 192 L C 0.393 177.286 176.870 0.039 0.000 1.033 192 L CA 0.411 55.266 54.840 0.024 0.000 0.814 192 L CB 1.647 43.736 42.059 0.050 0.000 1.203 192 L HN 0.882 nan 8.230 nan 0.000 0.423 193 T N 2.536 117.144 114.554 0.090 0.000 2.727 193 T HA 0.484 4.834 4.350 -0.000 0.000 0.298 193 T C -0.099 174.662 174.700 0.102 0.000 0.942 193 T CA -0.693 61.474 62.100 0.111 0.000 0.997 193 T CB 0.529 69.493 68.868 0.160 0.000 0.917 193 T HN 0.314 nan 8.240 nan 0.000 0.487 194 V N 3.985 123.948 119.914 0.082 0.000 2.368 194 V HA 0.756 4.876 4.120 -0.000 0.000 0.266 194 V C 0.985 177.148 176.094 0.115 0.000 1.045 194 V CA 0.399 62.759 62.300 0.100 0.000 0.899 194 V CB -0.044 31.816 31.823 0.063 0.000 1.006 194 V HN 1.448 nan 8.190 nan 0.000 0.470 195 G N 3.657 112.555 108.800 0.163 0.000 2.362 195 G HA2 0.359 4.319 3.960 -0.000 0.000 0.656 195 G HA3 0.359 4.319 3.960 -0.000 0.000 0.656 195 G C -0.053 174.931 174.900 0.140 0.000 1.376 195 G CA -0.389 44.827 45.100 0.193 0.000 0.971 195 G HN 1.060 nan 8.290 nan 0.000 0.636 196 G N -0.434 108.392 108.800 0.043 0.000 4.144 196 G HA2 0.699 4.659 3.960 -0.000 0.000 0.297 196 G HA3 0.699 4.659 3.960 -0.000 0.000 0.297 196 G C 0.590 175.355 174.900 -0.225 0.000 1.090 196 G CA 1.068 46.020 45.100 -0.247 0.000 0.870 196 G HN 1.353 nan 8.290 nan 0.000 0.532 197 G N -0.679 108.098 108.800 -0.039 0.000 2.795 197 G HA2 0.473 4.433 3.960 -0.000 0.000 0.267 197 G HA3 0.473 4.433 3.960 -0.000 0.000 0.267 197 G C 0.667 175.606 174.900 0.065 0.000 1.362 197 G CA -0.857 44.270 45.100 0.045 0.000 1.048 197 G HN -0.023 nan 8.290 nan 0.000 0.547 198 F N -0.513 119.460 119.950 0.038 0.000 2.063 198 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 198 F C 2.576 178.415 175.800 0.064 0.000 1.099 198 F CA 1.854 59.880 58.000 0.042 0.000 1.220 198 F CB -0.279 38.788 39.000 0.111 0.000 0.972 198 F HN 0.159 nan 8.300 nan 0.000 0.487 199 I N -1.930 118.825 120.570 0.308 0.000 2.400 199 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 199 I C 2.551 178.815 176.117 0.245 0.000 1.109 199 I CA 0.940 62.411 61.300 0.284 0.000 1.425 199 I CB -0.568 37.572 38.000 0.233 0.000 1.094 199 I HN 0.049 nan 8.210 nan 0.000 0.425 200 S N 0.599 116.395 115.700 0.159 0.000 2.359 200 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 200 S C 2.130 176.799 174.600 0.114 0.000 1.039 200 S CA 1.653 59.931 58.200 0.130 0.000 1.042 200 S CB -0.224 63.031 63.200 0.091 0.000 0.915 200 S HN 0.210 nan 8.310 nan 0.000 0.439 201 V N 1.534 121.478 119.914 0.051 0.000 2.261 201 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 201 V C 2.383 178.479 176.094 0.003 0.000 1.047 201 V CA 2.207 64.499 62.300 -0.012 0.000 1.015 201 V CB -0.738 31.015 31.823 -0.116 0.000 0.642 201 V HN 0.540 nan 8.190 nan 0.000 0.446 202 E N -0.818 119.399 120.200 0.028 0.000 2.072 202 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 202 E C 2.084 178.597 176.600 -0.146 0.000 0.985 202 E CA 1.324 57.702 56.400 -0.036 0.000 0.801 202 E CB -0.210 29.484 29.700 -0.010 0.000 0.750 202 E HN 0.561 nan 8.360 nan 0.000 0.452 203 F N 1.101 120.973 119.950 -0.129 0.000 2.186 203 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 203 F C 2.387 178.029 175.800 -0.264 0.000 1.090 203 F CA 1.031 58.841 58.000 -0.315 0.000 1.307 203 F CB -0.414 38.382 39.000 -0.341 0.000 1.019 203 F HN -0.003 nan 8.300 nan 0.000 0.489 204 A N 0.291 123.193 122.820 0.138 0.000 1.873 204 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 204 A C 2.573 180.215 177.584 0.096 0.000 1.193 204 A CA 2.101 54.238 52.037 0.167 0.000 0.629 204 A CB -1.696 17.374 19.000 0.116 0.000 0.826 204 A HN 0.420 nan 8.150 nan 0.000 0.447 205 G N -0.392 108.418 108.800 0.017 0.000 2.442 205 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 205 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 205 G C 1.528 176.435 174.900 0.013 0.000 1.141 205 G CA 1.170 46.273 45.100 0.004 0.000 0.763 205 G HN 0.498 nan 8.290 nan 0.000 0.554 206 I N -0.102 120.415 120.570 -0.088 0.000 2.113 206 I HA -0.110 4.060 4.170 -0.000 0.000 0.238 206 I C 2.449 178.680 176.117 0.190 0.000 1.070 206 I CA 0.884 62.159 61.300 -0.041 0.000 1.332 206 I CB -0.307 37.477 38.000 -0.360 0.000 1.044 206 I HN 0.042 nan 8.210 nan 0.000 0.402 207 F N 1.091 121.163 119.950 0.203 0.000 2.147 207 F HA -0.292 4.235 4.527 -0.000 0.000 0.301 207 F C 2.361 178.221 175.800 0.099 0.000 1.084 207 F CA 1.621 59.693 58.000 0.120 0.000 1.268 207 F CB -1.521 37.512 39.000 0.055 0.000 1.009 207 F HN 0.199 nan 8.300 nan 0.000 0.486 208 N N 0.322 119.175 118.700 0.255 0.000 2.149 208 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 208 N C 1.727 177.300 175.510 0.104 0.000 1.019 208 N CA 1.437 54.572 53.050 0.140 0.000 0.857 208 N CB -0.293 38.243 38.487 0.082 0.000 0.997 208 N HN 0.217 nan 8.380 nan 0.000 0.426 209 A N -1.628 121.265 122.820 0.123 0.000 2.021 209 A HA 0.058 4.377 4.320 -0.000 0.000 0.216 209 A C 1.341 178.858 177.584 -0.110 0.000 1.163 209 A CA 0.620 52.645 52.037 -0.021 0.000 0.676 209 A CB -0.449 18.501 19.000 -0.083 0.000 0.818 209 A HN 0.424 nan 8.150 nan 0.000 0.453 210 Y N 0.806 121.210 120.300 0.173 0.000 2.449 210 Y HA 0.125 4.675 4.550 -0.000 0.000 0.254 210 Y C 1.027 176.987 175.900 0.100 0.000 1.140 210 Y CA 0.001 58.224 58.100 0.205 0.000 1.272 210 Y CB 0.256 38.975 38.460 0.431 0.000 1.114 210 Y HN 0.281 nan 8.280 nan 0.000 0.525 211 K N 2.569 123.064 120.400 0.158 0.000 2.469 211 K HA 0.077 4.397 4.320 -0.000 0.000 0.274 211 K C -2.618 174.006 176.600 0.040 0.000 0.983 211 K CA -1.231 55.087 56.287 0.052 0.000 0.974 211 K CB -0.016 32.501 32.500 0.029 0.000 0.913 211 K HN -0.019 nan 8.250 nan 0.000 0.493 212 P HA 0.111 nan 4.420 nan 0.000 0.277 212 P C -1.901 175.404 177.300 0.009 0.000 1.271 212 P CA -1.242 61.867 63.100 0.016 0.000 0.795 212 P CB -0.163 31.536 31.700 -0.001 0.000 1.101 213 P HA -0.291 nan 4.420 nan 0.000 0.221 213 P C 1.681 178.983 177.300 0.003 0.000 1.107 213 P CA 2.626 65.732 63.100 0.010 0.000 0.986 213 P CB -1.112 30.595 31.700 0.011 0.000 0.774 214 G N -0.621 108.177 108.800 -0.003 0.000 2.470 214 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.220 214 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.220 214 G C 0.985 175.880 174.900 -0.009 0.000 1.121 214 G CA 0.676 45.772 45.100 -0.007 0.000 0.766 214 G HN 0.642 nan 8.290 nan 0.000 0.553 215 G N -0.513 108.281 108.800 -0.010 0.000 2.720 215 G HA2 0.349 4.309 3.960 -0.000 0.000 0.237 215 G HA3 0.349 4.309 3.960 -0.000 0.000 0.237 215 G C -0.266 174.627 174.900 -0.012 0.000 1.239 215 G CA 0.160 45.250 45.100 -0.016 0.000 0.847 215 G HN 0.513 nan 8.290 nan 0.000 0.593 216 K N -0.509 119.882 120.400 -0.016 0.000 2.561 216 K HA 0.453 4.773 4.320 -0.000 0.000 0.254 216 K C -1.419 175.177 176.600 -0.006 0.000 0.942 216 K CA -0.599 55.682 56.287 -0.009 0.000 0.818 216 K CB 2.047 34.540 32.500 -0.011 0.000 1.306 216 K HN 0.353 nan 8.250 nan 0.000 0.435 217 V N 3.813 123.736 119.914 0.014 0.000 2.370 217 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 217 V C -0.707 175.409 176.094 0.036 0.000 1.023 217 V CA -0.483 61.840 62.300 0.038 0.000 0.857 217 V CB 1.752 33.629 31.823 0.091 0.000 0.985 217 V HN 0.892 nan 8.190 nan 0.000 0.443 218 T N 6.541 121.119 114.554 0.040 0.000 2.786 218 T HA 0.540 4.890 4.350 -0.000 0.000 0.283 218 T C -0.483 174.260 174.700 0.071 0.000 0.992 218 T CA -0.259 61.868 62.100 0.045 0.000 0.954 218 T CB 1.336 70.231 68.868 0.044 0.000 0.934 218 T HN 0.501 nan 8.240 nan 0.000 0.440 219 L N 4.638 125.901 121.223 0.067 0.000 2.282 219 L HA 0.671 5.011 4.340 -0.000 0.000 0.288 219 L C -0.023 176.903 176.870 0.093 0.000 1.033 219 L CA -0.654 54.237 54.840 0.085 0.000 0.807 219 L CB 0.210 42.308 42.059 0.065 0.000 1.209 219 L HN 0.928 nan 8.230 nan 0.000 0.423 220 C N 3.153 122.535 119.300 0.137 0.000 2.376 220 C HA 0.621 5.081 4.460 -0.000 0.000 0.335 220 C C -0.579 174.546 174.990 0.225 0.000 1.229 220 C CA -1.033 58.080 59.018 0.159 0.000 1.867 220 C CB 0.568 28.448 27.740 0.233 0.000 2.319 220 C HN 0.789 nan 8.230 nan 0.000 0.515 221 Y N 3.206 123.530 120.300 0.041 0.000 2.409 221 Y HA 0.537 5.087 4.550 -0.000 0.000 0.343 221 Y C 1.396 177.321 175.900 0.041 0.000 0.973 221 Y CA -1.343 56.781 58.100 0.041 0.000 1.064 221 Y CB 1.382 39.856 38.460 0.023 0.000 1.207 221 Y HN 0.912 nan 8.280 nan 0.000 0.452 222 R N 1.837 122.029 120.500 -0.513 0.000 2.189 222 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 222 R C -0.572 175.361 176.300 -0.613 0.000 1.092 222 R CA 1.365 57.197 56.100 -0.446 0.000 0.989 222 R CB -0.232 29.927 30.300 -0.234 0.000 0.876 222 R HN 0.630 nan 8.270 nan 0.000 0.457 223 N N -0.025 117.935 118.700 -1.235 0.000 3.178 223 N HA 0.077 4.817 4.740 -0.000 0.000 0.352 223 N C -0.001 175.374 175.510 -0.226 0.000 1.423 223 N CA -0.388 52.320 53.050 -0.569 0.000 0.698 223 N CB 0.259 38.562 38.487 -0.306 0.000 1.400 223 N HN 0.083 nan 8.380 nan 0.000 0.586 224 N N 0.183 118.907 118.700 0.039 0.000 2.322 224 N HA 0.070 4.810 4.740 -0.000 0.000 0.181 224 N C -0.811 174.806 175.510 0.177 0.000 1.088 224 N CA 0.299 53.407 53.050 0.096 0.000 0.885 224 N CB 0.468 38.973 38.487 0.031 0.000 1.013 224 N HN 0.306 nan 8.380 nan 0.000 0.472 225 L N 2.400 123.788 121.223 0.275 0.000 2.441 225 L HA 0.490 4.830 4.340 -0.000 0.000 0.270 225 L C -0.103 176.799 176.870 0.053 0.000 0.973 225 L CA -1.126 53.806 54.840 0.153 0.000 0.842 225 L CB 1.482 43.589 42.059 0.080 0.000 1.239 225 L HN 0.152 nan 8.230 nan 0.000 0.406 226 I N 2.355 122.833 120.570 -0.154 0.000 3.112 226 I HA 0.207 4.376 4.170 -0.000 0.000 0.284 226 I C 0.452 176.363 176.117 -0.343 0.000 1.227 226 I CA -0.447 60.533 61.300 -0.533 0.000 1.369 226 I CB 0.212 37.996 38.000 -0.361 0.000 1.376 226 I HN 0.781 nan 8.210 nan 0.000 0.608 227 L N 0.251 121.255 121.223 -0.366 0.000 3.898 227 L HA -0.181 4.159 4.340 -0.000 0.000 0.407 227 L C 0.804 177.718 176.870 0.074 0.000 1.207 227 L CA 0.326 55.066 54.840 -0.167 0.000 0.931 227 L CB -1.411 40.444 42.059 -0.341 0.000 2.014 227 L HN 0.816 nan 8.230 nan 0.000 0.858 228 R N 0.852 121.359 120.500 0.012 0.000 2.478 228 R HA 0.119 4.459 4.340 -0.000 0.000 0.281 228 R C 1.486 177.854 176.300 0.112 0.000 0.939 228 R CA 1.728 57.877 56.100 0.080 0.000 1.120 228 R CB 0.050 30.413 30.300 0.104 0.000 0.885 228 R HN 0.504 nan 8.270 nan 0.000 0.415 229 G N 2.766 111.592 108.800 0.045 0.000 2.234 229 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.235 229 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.235 229 G C -0.131 174.636 174.900 -0.223 0.000 0.997 229 G CA -0.050 45.006 45.100 -0.073 0.000 0.623 229 G HN 0.500 nan 8.290 nan 0.000 0.514 230 F N 1.206 121.118 119.950 -0.063 0.000 2.457 230 F HA 0.577 5.104 4.527 -0.000 0.000 0.330 230 F C 0.772 176.492 175.800 -0.134 0.000 1.069 230 F CA -0.244 57.702 58.000 -0.092 0.000 1.009 230 F CB 0.881 39.801 39.000 -0.134 0.000 1.276 230 F HN 0.093 nan 8.300 nan 0.000 0.492 231 D N 0.848 121.247 120.400 -0.001 0.000 2.488 231 D HA -0.051 4.589 4.640 -0.000 0.000 0.238 231 D C 1.006 177.283 176.300 -0.039 0.000 1.138 231 D CA 0.415 54.319 54.000 -0.161 0.000 0.873 231 D CB 0.749 41.388 40.800 -0.268 0.000 1.183 231 D HN 0.677 nan 8.370 nan 0.000 0.458 232 E N 1.759 121.938 120.200 -0.035 0.000 2.072 232 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 232 E C 1.406 178.005 176.600 -0.000 0.000 0.985 232 E CA 1.285 57.684 56.400 -0.002 0.000 0.801 232 E CB 0.074 29.784 29.700 0.017 0.000 0.750 232 E HN 0.634 nan 8.360 nan 0.000 0.452 233 T N 1.266 115.826 114.554 0.010 0.000 2.665 233 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 233 T C 1.851 176.544 174.700 -0.012 0.000 1.035 233 T CA 1.713 63.822 62.100 0.015 0.000 1.151 233 T CB -0.268 68.626 68.868 0.043 0.000 0.862 233 T HN 0.189 nan 8.240 nan 0.000 0.438 234 I N 0.530 121.084 120.570 -0.027 0.000 2.226 234 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 234 I C 2.702 178.769 176.117 -0.083 0.000 1.100 234 I CA 1.290 62.554 61.300 -0.060 0.000 1.374 234 I CB -0.264 37.702 38.000 -0.056 0.000 1.057 234 I HN 0.120 nan 8.210 nan 0.000 0.413 235 R N 0.250 120.711 120.500 -0.065 0.000 2.105 235 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 235 R C 2.185 178.442 176.300 -0.071 0.000 1.135 235 R CA 1.556 57.604 56.100 -0.087 0.000 0.967 235 R CB -0.310 29.959 30.300 -0.052 0.000 0.861 235 R HN 0.335 nan 8.270 nan 0.000 0.442 236 E N 0.287 120.462 120.200 -0.043 0.000 2.046 236 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 236 E C 1.903 178.482 176.600 -0.036 0.000 0.982 236 E CA 0.872 57.253 56.400 -0.031 0.000 0.800 236 E CB 0.192 29.884 29.700 -0.013 0.000 0.756 236 E HN 0.143 nan 8.360 nan 0.000 0.449 237 E N 0.040 120.217 120.200 -0.038 0.000 2.150 237 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 237 E C 2.118 178.684 176.600 -0.056 0.000 0.985 237 E CA 0.492 56.870 56.400 -0.037 0.000 0.814 237 E CB -0.262 29.413 29.700 -0.040 0.000 0.752 237 E HN 0.150 nan 8.360 nan 0.000 0.466 238 V N 0.856 120.717 119.914 -0.090 0.000 2.453 238 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 238 V C 2.020 178.059 176.094 -0.092 0.000 1.048 238 V CA 2.122 64.356 62.300 -0.110 0.000 1.049 238 V CB -0.430 31.291 31.823 -0.171 0.000 0.672 238 V HN 0.282 nan 8.190 nan 0.000 0.457 239 T N 0.185 114.688 114.554 -0.084 0.000 2.635 239 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 239 T C 1.833 176.497 174.700 -0.061 0.000 1.040 239 T CA 2.070 64.129 62.100 -0.068 0.000 1.156 239 T CB -0.279 68.558 68.868 -0.052 0.000 0.863 239 T HN 0.516 nan 8.240 nan 0.000 0.430 240 K N 0.957 121.327 120.400 -0.050 0.000 2.044 240 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 240 K C 2.545 179.100 176.600 -0.075 0.000 1.049 240 K CA 1.489 57.746 56.287 -0.050 0.000 0.927 240 K CB -0.208 32.281 32.500 -0.020 0.000 0.713 240 K HN 0.471 nan 8.250 nan 0.000 0.443 241 Q N 0.369 120.140 119.800 -0.048 0.000 2.311 241 Q HA 0.014 4.353 4.340 -0.000 0.000 0.203 241 Q C 2.126 178.064 176.000 -0.103 0.000 0.954 241 Q CA 0.527 56.310 55.803 -0.034 0.000 0.885 241 Q CB 0.120 28.905 28.738 0.079 0.000 0.963 241 Q HN 0.317 nan 8.270 nan 0.000 0.471 242 L N -0.414 120.754 121.223 -0.092 0.000 2.049 242 L HA -0.120 4.220 4.340 -0.000 0.000 0.203 242 L C 2.370 179.172 176.870 -0.114 0.000 1.074 242 L CA 1.110 55.897 54.840 -0.089 0.000 0.749 242 L CB -0.733 41.284 42.059 -0.069 0.000 0.907 242 L HN 0.152 nan 8.230 nan 0.000 0.439 243 T N 0.359 114.849 114.554 -0.107 0.000 2.649 243 T HA -0.316 4.033 4.350 -0.000 0.000 0.268 243 T C 1.903 176.492 174.700 -0.185 0.000 1.036 243 T CA 1.858 63.889 62.100 -0.115 0.000 1.157 243 T CB -0.317 68.496 68.868 -0.092 0.000 0.861 243 T HN 0.478 nan 8.240 nan 0.000 0.445 244 A N 1.284 123.930 122.820 -0.290 0.000 1.972 244 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 244 A C 2.011 179.285 177.584 -0.517 0.000 1.169 244 A CA 1.576 53.306 52.037 -0.512 0.000 0.635 244 A CB -0.541 17.878 19.000 -0.968 0.000 0.810 244 A HN 0.438 nan 8.150 nan 0.000 0.446 245 N N -0.965 117.514 118.700 -0.368 0.000 2.362 245 N HA 0.232 4.972 4.740 -0.000 0.000 0.204 245 N C 0.897 176.342 175.510 -0.110 0.000 1.166 245 N CA 1.018 53.946 53.050 -0.204 0.000 0.831 245 N CB 0.044 38.469 38.487 -0.104 0.000 1.008 245 N HN 0.564 nan 8.380 nan 0.000 0.472 246 G N -0.226 108.506 108.800 -0.113 0.000 2.175 246 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 246 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 246 G C 0.052 174.928 174.900 -0.041 0.000 0.982 246 G CA -0.096 44.965 45.100 -0.065 0.000 0.641 246 G HN 0.302 nan 8.290 nan 0.000 0.527 247 I N 1.273 121.818 120.570 -0.042 0.000 2.395 247 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 247 I C 0.565 176.666 176.117 -0.027 0.000 1.023 247 I CA -0.627 60.662 61.300 -0.018 0.000 1.350 247 I CB 1.338 39.333 38.000 -0.009 0.000 1.409 247 I HN 0.219 nan 8.210 nan 0.000 0.507 248 E N 7.714 127.905 120.200 -0.015 0.000 2.229 248 E HA 0.367 4.717 4.350 -0.000 0.000 0.283 248 E C -1.049 175.543 176.600 -0.013 0.000 1.030 248 E CA -0.135 56.253 56.400 -0.021 0.000 0.836 248 E CB 0.740 30.427 29.700 -0.021 0.000 1.068 248 E HN 0.422 nan 8.360 nan 0.000 0.401 249 I N 5.891 126.448 120.570 -0.021 0.000 2.359 249 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 249 I C -0.043 176.065 176.117 -0.016 0.000 1.018 249 I CA -0.538 60.757 61.300 -0.007 0.000 1.173 249 I CB 0.846 38.842 38.000 -0.007 0.000 1.326 249 I HN 0.480 nan 8.210 nan 0.000 0.462 250 M N 6.282 125.869 119.600 -0.023 0.000 2.156 250 M HA 0.186 4.666 4.480 -0.000 0.000 0.345 250 M C 0.491 176.782 176.300 -0.015 0.000 1.398 250 M CA -0.091 55.169 55.300 -0.066 0.000 1.148 250 M CB 0.575 33.083 32.600 -0.153 0.000 1.663 250 M HN 0.568 nan 8.290 nan 0.000 0.464 251 T N -0.677 113.867 114.554 -0.017 0.000 2.912 251 T HA 0.326 4.676 4.350 -0.000 0.000 0.280 251 T C 0.738 175.405 174.700 -0.054 0.000 0.989 251 T CA -0.894 61.214 62.100 0.014 0.000 0.995 251 T CB 0.827 69.725 68.868 0.049 0.000 1.077 251 T HN 0.770 nan 8.240 nan 0.000 0.531 252 N N 0.941 119.588 118.700 -0.088 0.000 2.710 252 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 252 N C -0.707 174.748 175.510 -0.092 0.000 1.059 252 N CA 0.933 53.916 53.050 -0.111 0.000 0.720 252 N CB -0.656 37.784 38.487 -0.078 0.000 0.983 252 N HN 0.707 nan 8.380 nan 0.000 0.544 253 E N 0.523 120.675 120.200 -0.079 0.000 2.343 253 E HA 0.569 4.919 4.350 -0.000 0.000 0.270 253 E C -0.540 176.139 176.600 0.131 0.000 0.895 253 E CA -0.640 55.744 56.400 -0.026 0.000 0.767 253 E CB 2.210 31.750 29.700 -0.267 0.000 1.248 253 E HN 0.244 nan 8.360 nan 0.000 0.440 254 N N 1.249 120.150 118.700 0.336 0.000 2.554 254 N HA 0.292 5.031 4.740 -0.000 0.000 0.271 254 N C -3.092 172.522 175.510 0.174 0.000 1.081 254 N CA -1.209 51.980 53.050 0.233 0.000 0.994 254 N CB 1.863 40.395 38.487 0.076 0.000 1.641 254 N HN 0.003 nan 8.380 nan 0.000 0.511 255 P HA 0.200 nan 4.420 nan 0.000 0.268 255 P C -0.427 176.778 177.300 -0.158 0.000 1.204 255 P CA -0.010 62.886 63.100 -0.340 0.000 0.768 255 P CB 1.118 32.598 31.700 -0.366 0.000 0.842 256 A N 4.118 126.839 122.820 -0.165 0.000 2.035 256 A HA 0.146 4.466 4.320 -0.000 0.000 0.208 256 A C 0.581 178.116 177.584 -0.082 0.000 1.206 256 A CA 1.095 53.085 52.037 -0.078 0.000 0.773 256 A CB -0.165 18.812 19.000 -0.037 0.000 0.878 256 A HN 0.585 nan 8.150 nan 0.000 0.469 257 K N -1.689 118.637 120.400 -0.124 0.000 2.625 257 K HA 0.571 4.891 4.320 -0.000 0.000 0.284 257 K C -2.072 174.465 176.600 -0.106 0.000 0.984 257 K CA -0.704 55.534 56.287 -0.081 0.000 0.865 257 K CB 1.414 33.894 32.500 -0.033 0.000 1.468 257 K HN -0.008 nan 8.250 nan 0.000 0.407 258 V N 1.200 121.092 119.914 -0.035 0.000 2.709 258 V HA 0.600 4.719 4.120 -0.000 0.000 0.308 258 V C -0.722 175.433 176.094 0.102 0.000 1.062 258 V CA -0.583 61.714 62.300 -0.005 0.000 0.901 258 V CB 1.725 33.553 31.823 0.009 0.000 1.003 258 V HN 1.000 nan 8.190 nan 0.000 0.425 259 S N 3.602 119.342 115.700 0.068 0.000 2.634 259 S HA 0.782 5.251 4.470 -0.000 0.000 0.296 259 S C -0.963 173.549 174.600 -0.148 0.000 1.104 259 S CA -0.886 57.331 58.200 0.029 0.000 0.920 259 S CB 1.895 65.129 63.200 0.057 0.000 1.111 259 S HN 0.562 nan 8.310 nan 0.000 0.493 260 L N 2.577 123.608 121.223 -0.320 0.000 2.260 260 L HA 0.363 4.702 4.340 -0.000 0.000 0.289 260 L C -0.044 176.738 176.870 -0.146 0.000 1.057 260 L CA -0.701 53.941 54.840 -0.330 0.000 0.811 260 L CB 0.549 42.346 42.059 -0.437 0.000 1.184 260 L HN 0.704 nan 8.230 nan 0.000 0.429 261 N N 1.163 119.804 118.700 -0.098 0.000 2.371 261 N HA -0.003 4.737 4.740 -0.000 0.000 0.243 261 N C 1.287 176.755 175.510 -0.070 0.000 1.287 261 N CA 0.280 53.284 53.050 -0.076 0.000 0.911 261 N CB 0.912 39.367 38.487 -0.053 0.000 1.142 261 N HN 0.596 nan 8.380 nan 0.000 0.451 262 T N -2.415 112.104 114.554 -0.059 0.000 2.881 262 T HA -0.191 4.158 4.350 -0.000 0.000 0.270 262 T C 0.904 175.581 174.700 -0.039 0.000 1.068 262 T CA 1.244 63.316 62.100 -0.046 0.000 1.131 262 T CB -0.193 68.653 68.868 -0.038 0.000 0.871 262 T HN 0.621 nan 8.240 nan 0.000 0.479 263 D N 1.085 121.462 120.400 -0.038 0.000 2.336 263 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 263 D C 1.665 177.944 176.300 -0.034 0.000 1.061 263 D CA 0.626 54.608 54.000 -0.031 0.000 0.875 263 D CB -0.696 40.088 40.800 -0.027 0.000 0.904 263 D HN 0.616 nan 8.370 nan 0.000 0.525 264 G N 0.201 108.973 108.800 -0.047 0.000 2.241 264 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 264 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 264 G C 0.517 175.380 174.900 -0.061 0.000 0.998 264 G CA 0.446 45.515 45.100 -0.052 0.000 0.621 264 G HN 0.858 nan 8.290 nan 0.000 0.519 265 S N -0.197 115.472 115.700 -0.052 0.000 2.587 265 S HA 0.606 5.076 4.470 -0.000 0.000 0.260 265 S C 0.010 174.576 174.600 -0.057 0.000 1.353 265 S CA 0.416 58.587 58.200 -0.048 0.000 0.995 265 S CB 1.479 64.662 63.200 -0.029 0.000 0.912 265 S HN 0.337 nan 8.310 nan 0.000 0.568 266 K N 0.991 121.365 120.400 -0.043 0.000 2.265 266 K HA 0.373 4.693 4.320 -0.000 0.000 0.267 266 K C -0.983 175.624 176.600 0.011 0.000 0.994 266 K CA -0.361 55.899 56.287 -0.045 0.000 0.860 266 K CB 0.863 33.334 32.500 -0.049 0.000 1.099 266 K HN 0.755 nan 8.250 nan 0.000 0.448 267 H N 1.772 120.795 119.070 -0.079 0.000 2.668 267 H HA 0.398 4.954 4.556 -0.000 0.000 0.303 267 H C -0.951 174.337 175.328 -0.067 0.000 1.074 267 H CA -0.336 55.679 56.048 -0.054 0.000 1.406 267 H CB 0.484 30.218 29.762 -0.046 0.000 1.442 267 H HN 0.205 nan 8.280 nan 0.000 0.482 268 V N 5.738 125.370 119.914 -0.469 0.000 2.417 268 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 268 V C -0.010 175.771 176.094 -0.522 0.000 1.024 268 V CA -0.676 61.357 62.300 -0.446 0.000 0.861 268 V CB 1.753 33.309 31.823 -0.446 0.000 0.985 268 V HN 0.883 nan 8.190 nan 0.000 0.436 269 T N 5.841 120.146 114.554 -0.415 0.000 2.771 269 T HA 0.617 4.967 4.350 -0.000 0.000 0.281 269 T C -0.393 174.129 174.700 -0.297 0.000 0.982 269 T CA -0.077 61.884 62.100 -0.232 0.000 0.978 269 T CB 0.514 69.325 68.868 -0.095 0.000 0.930 269 T HN 0.271 nan 8.240 nan 0.000 0.447 270 F N 1.065 120.976 119.950 -0.064 0.000 2.370 270 F HA 0.293 4.820 4.527 -0.000 0.000 0.324 270 F C 1.977 177.759 175.800 -0.030 0.000 1.116 270 F CA -0.744 57.230 58.000 -0.043 0.000 1.123 270 F CB 0.658 39.633 39.000 -0.042 0.000 1.238 270 F HN 0.638 nan 8.300 nan 0.000 0.536 271 E N 0.227 120.517 120.200 0.149 0.000 2.187 271 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 271 E C 1.992 178.635 176.600 0.071 0.000 1.004 271 E CA 1.752 58.199 56.400 0.078 0.000 0.813 271 E CB -0.131 29.603 29.700 0.056 0.000 0.736 271 E HN 0.635 nan 8.360 nan 0.000 0.468 272 S N -1.437 114.319 115.700 0.093 0.000 2.522 272 S HA 0.113 4.583 4.470 -0.000 0.000 0.227 272 S C 1.633 176.263 174.600 0.050 0.000 0.986 272 S CA 0.555 58.785 58.200 0.049 0.000 0.929 272 S CB 0.657 63.866 63.200 0.016 0.000 0.769 272 S HN 0.410 nan 8.310 nan 0.000 0.529 273 G N 0.873 109.723 108.800 0.083 0.000 2.238 273 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 273 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 273 G C 0.050 175.002 174.900 0.088 0.000 0.996 273 G CA -0.182 44.961 45.100 0.071 0.000 0.632 273 G HN 0.498 nan 8.290 nan 0.000 0.503 274 K N 1.615 122.073 120.400 0.097 0.000 2.440 274 K HA 0.423 4.742 4.320 -0.000 0.000 0.270 274 K C 0.720 177.465 176.600 0.241 0.000 0.980 274 K CA 1.171 57.516 56.287 0.097 0.000 0.953 274 K CB 0.626 33.098 32.500 -0.047 0.000 0.925 274 K HN 0.556 nan 8.250 nan 0.000 0.497 275 T N -0.931 113.722 114.554 0.164 0.000 2.916 275 T HA 0.688 5.038 4.350 -0.000 0.000 0.292 275 T C -1.115 173.668 174.700 0.137 0.000 1.064 275 T CA -1.015 61.145 62.100 0.100 0.000 1.011 275 T CB 1.358 70.220 68.868 -0.011 0.000 1.152 275 T HN 0.303 nan 8.240 nan 0.000 0.510 276 L N 1.297 122.543 121.223 0.037 0.000 2.565 276 L HA 0.571 4.910 4.340 -0.000 0.000 0.261 276 L C -2.061 174.803 176.870 -0.010 0.000 0.932 276 L CA -0.330 54.561 54.840 0.086 0.000 0.878 276 L CB 2.248 44.465 42.059 0.265 0.000 1.333 276 L HN 0.801 nan 8.230 nan 0.000 0.409 277 D N 3.214 123.644 120.400 0.050 0.000 2.198 277 D HA 0.705 5.345 4.640 -0.000 0.000 0.245 277 D C -0.463 175.847 176.300 0.016 0.000 1.079 277 D CA 0.221 54.255 54.000 0.057 0.000 0.854 277 D CB 1.878 42.736 40.800 0.096 0.000 1.148 277 D HN 0.437 nan 8.370 nan 0.000 0.456 278 V N -0.776 119.132 119.914 -0.010 0.000 3.130 278 V HA 0.486 4.606 4.120 -0.000 0.000 0.310 278 V C 0.174 176.234 176.094 -0.056 0.000 1.158 278 V CA -0.773 61.504 62.300 -0.038 0.000 1.029 278 V CB 2.389 34.183 31.823 -0.049 0.000 1.057 278 V HN 0.266 nan 8.190 nan 0.000 0.436 279 D N 0.321 120.670 120.400 -0.086 0.000 2.183 279 D HA 0.149 4.789 4.640 -0.000 0.000 0.205 279 D C 0.313 176.544 176.300 -0.114 0.000 0.962 279 D CA 1.427 55.369 54.000 -0.098 0.000 0.849 279 D CB 1.036 41.765 40.800 -0.119 0.000 0.978 279 D HN 0.364 nan 8.370 nan 0.000 0.488 280 V N 1.247 121.070 119.914 -0.152 0.000 2.686 280 V HA 0.245 4.365 4.120 -0.000 0.000 0.306 280 V C -0.423 175.589 176.094 -0.135 0.000 1.065 280 V CA -0.751 61.452 62.300 -0.162 0.000 0.894 280 V CB 2.968 34.629 31.823 -0.270 0.000 1.004 280 V HN -0.265 nan 8.190 nan 0.000 0.424 281 V N 5.792 125.652 119.914 -0.089 0.000 2.334 281 V HA 0.441 4.561 4.120 -0.000 0.000 0.281 281 V C 0.003 176.059 176.094 -0.063 0.000 1.016 281 V CA -0.280 61.979 62.300 -0.069 0.000 0.832 281 V CB 1.473 33.263 31.823 -0.056 0.000 0.999 281 V HN 0.878 nan 8.190 nan 0.000 0.439 282 M N 6.251 125.818 119.600 -0.055 0.000 2.061 282 M HA 0.465 4.945 4.480 -0.000 0.000 0.346 282 M C -0.540 175.738 176.300 -0.037 0.000 1.112 282 M CA -0.503 54.764 55.300 -0.056 0.000 1.021 282 M CB 0.829 33.403 32.600 -0.043 0.000 1.530 282 M HN 0.456 nan 8.290 nan 0.000 0.437 283 M N 4.038 123.607 119.600 -0.051 0.000 2.194 283 M HA 0.212 4.692 4.480 -0.000 0.000 0.347 283 M C 0.133 176.413 176.300 -0.034 0.000 1.439 283 M CA 0.178 55.460 55.300 -0.030 0.000 1.131 283 M CB 0.308 32.888 32.600 -0.034 0.000 1.733 283 M HN 0.759 nan 8.290 nan 0.000 0.467 284 A N 5.010 127.835 122.820 0.008 0.000 2.956 284 A HA 0.390 4.710 4.320 -0.000 0.000 0.294 284 A C 0.877 178.501 177.584 0.066 0.000 0.993 284 A CA -0.443 51.611 52.037 0.027 0.000 1.032 284 A CB -0.527 18.504 19.000 0.052 0.000 1.129 284 A HN 0.927 nan 8.150 nan 0.000 0.505 285 I N -3.761 116.843 120.570 0.056 0.000 3.812 285 I HA 0.572 4.742 4.170 -0.000 0.000 0.320 285 I C 0.618 176.788 176.117 0.088 0.000 1.276 285 I CA 0.366 61.716 61.300 0.083 0.000 1.164 285 I CB 0.110 38.154 38.000 0.073 0.000 1.009 285 I HN 0.367 nan 8.210 nan 0.000 0.431 286 G N 1.137 109.983 108.800 0.077 0.000 2.359 286 G HA2 0.221 4.181 3.960 -0.000 0.000 0.314 286 G HA3 0.221 4.181 3.960 -0.000 0.000 0.314 286 G C -1.492 173.446 174.900 0.064 0.000 1.364 286 G CA -1.144 44.006 45.100 0.084 0.000 0.978 286 G HN 0.220 nan 8.290 nan 0.000 0.615 287 R N -0.288 120.256 120.500 0.073 0.000 2.532 287 R HA 0.621 4.961 4.340 -0.000 0.000 0.297 287 R C 0.107 176.467 176.300 0.100 0.000 0.984 287 R CA -0.791 55.355 56.100 0.078 0.000 0.884 287 R CB 1.752 32.094 30.300 0.070 0.000 1.182 287 R HN 0.747 nan 8.270 nan 0.000 0.442 288 I N -0.390 120.259 120.570 0.133 0.000 2.607 288 I HA 0.646 4.816 4.170 -0.000 0.000 0.305 288 I C -2.483 173.724 176.117 0.151 0.000 0.995 288 I CA -3.199 58.178 61.300 0.129 0.000 1.148 288 I CB 1.779 39.855 38.000 0.125 0.000 1.323 288 I HN 0.260 nan 8.210 nan 0.000 0.461 289 P HA 0.093 nan 4.420 nan 0.000 0.266 289 P C -0.905 176.460 177.300 0.108 0.000 1.195 289 P CA -0.155 63.008 63.100 0.104 0.000 0.768 289 P CB 0.413 32.157 31.700 0.073 0.000 0.838 290 R N 1.909 122.471 120.500 0.103 0.000 3.235 290 R HA 0.147 4.487 4.340 -0.000 0.000 0.232 290 R C 0.742 177.062 176.300 0.033 0.000 1.475 290 R CA 0.175 56.316 56.100 0.069 0.000 1.405 290 R CB -0.426 29.918 30.300 0.073 0.000 1.266 290 R HN 0.575 nan 8.270 nan 0.000 0.650 291 T N -2.181 112.388 114.554 0.025 0.000 2.990 291 T HA -0.039 4.311 4.350 -0.000 0.000 0.249 291 T C 1.180 175.878 174.700 -0.003 0.000 1.039 291 T CA 0.208 62.317 62.100 0.015 0.000 1.036 291 T CB 0.014 68.894 68.868 0.019 0.000 0.994 291 T HN 0.471 nan 8.240 nan 0.000 0.489 292 N N 2.884 121.575 118.700 -0.015 0.000 2.091 292 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 292 N C 1.145 176.625 175.510 -0.050 0.000 1.021 292 N CA 1.872 54.901 53.050 -0.036 0.000 0.862 292 N CB -0.461 37.994 38.487 -0.053 0.000 1.018 292 N HN 0.379 nan 8.380 nan 0.000 0.429 293 D N -0.033 120.340 120.400 -0.045 0.000 2.348 293 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 293 D C 1.576 177.870 176.300 -0.010 0.000 0.998 293 D CA 0.301 54.275 54.000 -0.042 0.000 0.873 293 D CB 0.118 40.923 40.800 0.008 0.000 0.925 293 D HN 0.355 nan 8.370 nan 0.000 0.524 294 L N 0.514 121.734 121.223 -0.004 0.000 2.478 294 L HA -0.037 4.303 4.340 -0.000 0.000 0.223 294 L C 0.258 177.118 176.870 -0.017 0.000 1.140 294 L CA 0.253 55.091 54.840 -0.003 0.000 0.842 294 L CB -0.261 41.798 42.059 0.000 0.000 0.953 294 L HN -0.134 nan 8.230 nan 0.000 0.452 295 Q N -0.151 119.634 119.800 -0.025 0.000 2.451 295 Q HA -0.225 4.115 4.340 -0.000 0.000 0.305 295 Q C 1.077 177.062 176.000 -0.025 0.000 1.345 295 Q CA 0.610 56.396 55.803 -0.029 0.000 0.854 295 Q CB -2.149 26.568 28.738 -0.034 0.000 1.162 295 Q HN 0.543 nan 8.270 nan 0.000 0.440 296 L N -1.332 119.879 121.223 -0.020 0.000 2.191 296 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 296 L C 2.344 179.202 176.870 -0.021 0.000 1.103 296 L CA 1.488 56.316 54.840 -0.019 0.000 0.769 296 L CB -0.538 41.514 42.059 -0.013 0.000 0.908 296 L HN 0.554 nan 8.230 nan 0.000 0.438 297 G N 0.548 109.336 108.800 -0.020 0.000 2.505 297 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 297 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 297 G C 1.304 176.191 174.900 -0.023 0.000 1.145 297 G CA 1.071 46.159 45.100 -0.020 0.000 0.761 297 G HN 0.389 nan 8.290 nan 0.000 0.571 298 N N 0.197 118.881 118.700 -0.026 0.000 2.258 298 N HA -0.117 4.623 4.740 -0.000 0.000 0.187 298 N C 2.054 177.547 175.510 -0.029 0.000 1.012 298 N CA 1.726 54.759 53.050 -0.028 0.000 0.870 298 N CB -0.136 38.333 38.487 -0.030 0.000 0.977 298 N HN 0.519 nan 8.380 nan 0.000 0.434 299 V N -5.832 114.064 119.914 -0.030 0.000 3.432 299 V HA 0.574 4.694 4.120 -0.000 0.000 0.298 299 V C 1.014 177.089 176.094 -0.031 0.000 1.464 299 V CA 0.185 62.466 62.300 -0.033 0.000 1.046 299 V CB 0.166 31.965 31.823 -0.040 0.000 0.887 299 V HN 0.155 nan 8.190 nan 0.000 0.441 300 G N 0.925 109.709 108.800 -0.026 0.000 2.165 300 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.226 300 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.226 300 G C -0.072 174.815 174.900 -0.021 0.000 1.035 300 G CA -0.003 45.084 45.100 -0.021 0.000 0.744 300 G HN 0.806 nan 8.290 nan 0.000 0.501 301 V N 0.432 120.333 119.914 -0.022 0.000 2.508 301 V HA 0.292 4.412 4.120 -0.000 0.000 0.281 301 V C 1.055 177.143 176.094 -0.010 0.000 1.041 301 V CA 0.105 62.393 62.300 -0.020 0.000 1.016 301 V CB 1.371 33.181 31.823 -0.022 0.000 0.984 301 V HN 0.427 nan 8.190 nan 0.000 0.478 302 K N 4.589 124.985 120.400 -0.006 0.000 2.249 302 K HA 0.498 4.818 4.320 -0.000 0.000 0.280 302 K C -0.673 175.930 176.600 0.005 0.000 1.033 302 K CA -0.311 55.976 56.287 -0.000 0.000 0.946 302 K CB 0.603 33.105 32.500 0.002 0.000 1.005 302 K HN 0.550 nan 8.250 nan 0.000 0.469 303 L N 2.863 124.090 121.223 0.006 0.000 2.360 303 L HA 0.339 4.679 4.340 -0.000 0.000 0.271 303 L C 0.802 177.678 176.870 0.011 0.000 1.057 303 L CA -0.927 53.920 54.840 0.011 0.000 0.803 303 L CB 1.539 43.605 42.059 0.012 0.000 1.207 303 L HN 0.798 nan 8.230 nan 0.000 0.445 304 T N -1.726 112.836 114.554 0.013 0.000 2.748 304 T HA 0.163 4.513 4.350 -0.000 0.000 0.304 304 T C -1.800 172.908 174.700 0.013 0.000 1.041 304 T CA -1.155 60.952 62.100 0.012 0.000 1.033 304 T CB 0.619 69.493 68.868 0.011 0.000 0.995 304 T HN 0.402 nan 8.240 nan 0.000 0.536 305 P HA 0.047 nan 4.420 nan 0.000 0.221 305 P C 1.175 178.485 177.300 0.018 0.000 1.150 305 P CA 0.845 63.953 63.100 0.013 0.000 0.800 305 P CB 0.068 31.775 31.700 0.012 0.000 0.787 306 K N -1.517 118.895 120.400 0.019 0.000 2.486 306 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 306 K C 1.257 177.876 176.600 0.031 0.000 1.033 306 K CA 0.983 57.285 56.287 0.026 0.000 1.004 306 K CB -0.366 32.149 32.500 0.026 0.000 0.798 306 K HN 0.209 nan 8.250 nan 0.000 0.495 307 G N 1.085 109.901 108.800 0.028 0.000 2.179 307 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 307 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 307 G C 0.390 175.310 174.900 0.033 0.000 0.990 307 G CA -0.285 44.833 45.100 0.031 0.000 0.646 307 G HN 0.497 nan 8.290 nan 0.000 0.517 308 G N -0.629 108.190 108.800 0.030 0.000 2.572 308 G HA2 0.566 4.526 3.960 -0.000 0.000 0.261 308 G HA3 0.566 4.526 3.960 -0.000 0.000 0.261 308 G C 0.362 175.278 174.900 0.027 0.000 1.197 308 G CA 0.132 45.250 45.100 0.031 0.000 0.870 308 G HN 0.888 nan 8.290 nan 0.000 0.548 309 V N 1.092 121.025 119.914 0.031 0.000 2.521 309 V HA 0.072 4.192 4.120 -0.000 0.000 0.286 309 V C 0.764 176.875 176.094 0.028 0.000 1.034 309 V CA -0.026 62.291 62.300 0.028 0.000 1.045 309 V CB 1.074 32.917 31.823 0.033 0.000 0.974 309 V HN 0.835 nan 8.190 nan 0.000 0.480 310 Q N 4.717 124.531 119.800 0.023 0.000 2.313 310 Q HA 0.481 4.821 4.340 -0.000 0.000 0.266 310 Q C -0.753 175.267 176.000 0.033 0.000 0.989 310 Q CA -0.319 55.497 55.803 0.022 0.000 0.890 310 Q CB 1.246 29.994 28.738 0.017 0.000 1.200 310 Q HN 0.724 nan 8.270 nan 0.000 0.396 311 V N 0.759 120.696 119.914 0.038 0.000 3.007 311 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 311 V C -0.605 175.525 176.094 0.060 0.000 1.120 311 V CA -1.144 61.193 62.300 0.062 0.000 0.980 311 V CB 1.696 33.566 31.823 0.078 0.000 1.033 311 V HN 0.974 nan 8.190 nan 0.000 0.429 312 D N 1.245 121.700 120.400 0.091 0.000 2.398 312 D HA 0.132 4.772 4.640 -0.000 0.000 0.264 312 D C 0.995 177.338 176.300 0.071 0.000 1.263 312 D CA 0.229 54.287 54.000 0.096 0.000 1.037 312 D CB 0.355 41.248 40.800 0.155 0.000 1.101 312 D HN 0.807 nan 8.370 nan 0.000 0.551 313 E N -1.073 119.137 120.200 0.017 0.000 2.338 313 E HA -0.106 4.243 4.350 -0.000 0.000 0.197 313 E C 1.075 177.502 176.600 -0.289 0.000 1.007 313 E CA 0.662 56.968 56.400 -0.157 0.000 0.849 313 E CB -0.569 28.967 29.700 -0.274 0.000 0.774 313 E HN 0.399 nan 8.360 nan 0.000 0.506 314 F N 0.976 120.956 119.950 0.050 0.000 2.732 314 F HA 0.234 4.761 4.527 -0.000 0.000 0.303 314 F C 0.568 176.393 175.800 0.042 0.000 1.110 314 F CA 0.048 58.066 58.000 0.030 0.000 1.355 314 F CB 0.405 39.409 39.000 0.006 0.000 1.081 314 F HN -0.178 nan 8.300 nan 0.000 0.565 315 S N -0.303 115.507 115.700 0.184 0.000 3.361 315 S HA -0.215 4.255 4.470 -0.000 0.000 0.288 315 S C 0.400 175.149 174.600 0.247 0.000 1.269 315 S CA 0.158 58.461 58.200 0.172 0.000 0.976 315 S CB -1.415 61.869 63.200 0.140 0.000 1.162 315 S HN 0.449 nan 8.310 nan 0.000 0.643 316 R N 2.414 123.079 120.500 0.274 0.000 2.298 316 R HA 0.369 4.709 4.340 -0.000 0.000 0.310 316 R C 1.132 177.522 176.300 0.150 0.000 1.068 316 R CA 0.405 56.688 56.100 0.306 0.000 0.957 316 R CB 0.511 30.974 30.300 0.271 0.000 1.003 316 R HN 0.515 nan 8.270 nan 0.000 0.454 317 T N -0.959 113.638 114.554 0.073 0.000 2.729 317 T HA -0.026 4.324 4.350 -0.000 0.000 0.298 317 T C 1.183 175.884 174.700 0.001 0.000 1.013 317 T CA -0.271 61.841 62.100 0.019 0.000 0.957 317 T CB 0.478 69.333 68.868 -0.022 0.000 1.130 317 T HN 0.761 nan 8.240 nan 0.000 0.526 318 N N -0.859 117.837 118.700 -0.006 0.000 2.550 318 N HA 0.042 4.782 4.740 -0.000 0.000 0.186 318 N C -0.141 175.352 175.510 -0.028 0.000 1.110 318 N CA -0.070 52.976 53.050 -0.008 0.000 0.912 318 N CB -0.072 38.412 38.487 -0.004 0.000 0.968 318 N HN 0.316 nan 8.380 nan 0.000 0.448 319 V N 1.387 121.268 119.914 -0.056 0.000 2.398 319 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 319 V C -2.191 173.834 176.094 -0.115 0.000 1.026 319 V CA -2.143 60.111 62.300 -0.076 0.000 0.868 319 V CB 1.385 33.158 31.823 -0.083 0.000 0.982 319 V HN 0.036 nan 8.190 nan 0.000 0.443 320 P HA 0.130 nan 4.420 nan 0.000 0.265 320 P C 0.458 177.654 177.300 -0.174 0.000 1.193 320 P CA 0.548 63.593 63.100 -0.092 0.000 0.765 320 P CB 0.156 31.828 31.700 -0.047 0.000 0.823 321 N N 1.072 119.619 118.700 -0.255 0.000 2.925 321 N HA -0.169 4.571 4.740 -0.000 0.000 0.244 321 N C -1.031 174.094 175.510 -0.641 0.000 1.000 321 N CA 1.200 54.069 53.050 -0.301 0.000 0.895 321 N CB -2.329 36.089 38.487 -0.115 0.000 1.119 321 N HN 0.336 nan 8.380 nan 0.000 0.569 322 I N 0.531 120.617 120.570 -0.808 0.000 2.433 322 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 322 I C -0.482 175.118 176.117 -0.861 0.000 1.001 322 I CA -0.860 60.055 61.300 -0.641 0.000 1.119 322 I CB 0.959 38.797 38.000 -0.270 0.000 1.289 322 I HN 0.008 nan 8.210 nan 0.000 0.438 323 Y N 3.603 123.932 120.300 0.048 0.000 2.605 323 Y HA 0.829 5.379 4.550 -0.000 0.000 0.343 323 Y C -0.002 175.928 175.900 0.049 0.000 1.036 323 Y CA -1.197 56.931 58.100 0.047 0.000 1.065 323 Y CB 1.825 40.312 38.460 0.045 0.000 1.288 323 Y HN 0.609 nan 8.280 nan 0.000 0.481 324 A N 1.497 124.446 122.820 0.215 0.000 2.455 324 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 324 A C -1.278 176.386 177.584 0.133 0.000 1.040 324 A CA -0.613 51.508 52.037 0.140 0.000 0.697 324 A CB 0.988 20.044 19.000 0.093 0.000 1.265 324 A HN 0.812 nan 8.150 nan 0.000 0.407 325 I N -1.293 119.346 120.570 0.114 0.000 3.279 325 I HA 0.968 5.138 4.170 -0.000 0.000 0.315 325 I C 0.574 176.745 176.117 0.091 0.000 1.187 325 I CA -0.131 61.231 61.300 0.104 0.000 0.953 325 I CB 1.646 39.706 38.000 0.101 0.000 1.279 325 I HN 2.030 nan 8.210 nan 0.000 0.465 326 G N 1.823 110.678 108.800 0.091 0.000 2.601 326 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 326 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 326 G C 0.064 175.010 174.900 0.077 0.000 1.294 326 G CA 0.636 45.785 45.100 0.082 0.000 0.912 326 G HN 0.878 nan 8.290 nan 0.000 0.574 327 D N -0.381 120.063 120.400 0.073 0.000 2.221 327 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 327 D C 2.341 178.683 176.300 0.070 0.000 0.982 327 D CA 1.093 55.135 54.000 0.070 0.000 0.857 327 D CB -0.125 40.722 40.800 0.078 0.000 0.934 327 D HN 0.477 nan 8.370 nan 0.000 0.475 328 I N 0.908 121.522 120.570 0.073 0.000 2.315 328 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 328 I C 1.982 178.132 176.117 0.056 0.000 1.125 328 I CA 1.589 62.929 61.300 0.067 0.000 1.392 328 I CB -0.011 38.028 38.000 0.064 0.000 1.065 328 I HN 0.112 nan 8.210 nan 0.000 0.424 329 T N -3.338 111.249 114.554 0.055 0.000 3.067 329 T HA -0.067 4.283 4.350 -0.000 0.000 0.257 329 T C 1.116 175.829 174.700 0.023 0.000 1.105 329 T CA 0.634 62.759 62.100 0.041 0.000 1.104 329 T CB -0.077 68.818 68.868 0.046 0.000 0.925 329 T HN 0.439 nan 8.240 nan 0.000 0.498 330 D N 0.688 121.106 120.400 0.031 0.000 2.870 330 D HA -0.168 4.472 4.640 -0.000 0.000 0.228 330 D C 0.780 177.074 176.300 -0.010 0.000 1.147 330 D CA 0.664 54.677 54.000 0.021 0.000 0.757 330 D CB -1.195 39.620 40.800 0.025 0.000 1.091 330 D HN 0.550 nan 8.370 nan 0.000 0.429 331 R N -0.378 120.103 120.500 -0.032 0.000 2.040 331 R HA 0.405 4.745 4.340 -0.000 0.000 0.219 331 R C 0.815 177.089 176.300 -0.043 0.000 1.216 331 R CA 0.621 56.651 56.100 -0.117 0.000 0.952 331 R CB 0.169 30.275 30.300 -0.323 0.000 0.833 331 R HN 0.227 nan 8.270 nan 0.000 0.456 332 L N 1.398 122.646 121.223 0.043 0.000 2.343 332 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 332 L C -0.814 176.092 176.870 0.058 0.000 0.996 332 L CA -0.286 54.599 54.840 0.076 0.000 0.831 332 L CB 1.728 43.880 42.059 0.155 0.000 1.232 332 L HN 0.284 nan 8.230 nan 0.000 0.413 333 M N 6.623 126.233 119.600 0.015 0.000 3.213 333 M HA 0.334 4.814 4.480 -0.000 0.000 0.275 333 M C -1.155 175.117 176.300 -0.046 0.000 1.424 333 M CA 0.247 55.544 55.300 -0.004 0.000 1.561 333 M CB -0.302 32.290 32.600 -0.014 0.000 1.109 333 M HN 0.378 nan 8.290 nan 0.000 0.552 334 L N -0.660 120.561 121.223 -0.004 0.000 2.409 334 L HA 0.428 4.768 4.340 -0.000 0.000 0.262 334 L C 1.181 178.069 176.870 0.029 0.000 0.992 334 L CA -0.573 54.266 54.840 -0.002 0.000 0.817 334 L CB 2.120 44.188 42.059 0.015 0.000 1.350 334 L HN 0.198 nan 8.230 nan 0.000 0.411 335 T N 0.835 115.411 114.554 0.036 0.000 2.674 335 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 335 T C -1.129 173.597 174.700 0.043 0.000 1.039 335 T CA 1.822 63.947 62.100 0.043 0.000 1.150 335 T CB -0.466 68.428 68.868 0.044 0.000 0.864 335 T HN 0.463 nan 8.240 nan 0.000 0.427 336 P HA 0.069 nan 4.420 nan 0.000 0.230 336 P C 1.286 178.602 177.300 0.028 0.000 1.158 336 P CA 0.383 63.506 63.100 0.037 0.000 0.769 336 P CB -0.086 31.639 31.700 0.041 0.000 0.807 337 V N -0.134 119.799 119.914 0.032 0.000 2.488 337 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 337 V C 2.379 178.497 176.094 0.039 0.000 1.046 337 V CA 2.002 64.317 62.300 0.025 0.000 1.053 337 V CB -1.423 30.432 31.823 0.053 0.000 0.679 337 V HN 0.102 nan 8.190 nan 0.000 0.458 338 A N 0.004 122.855 122.820 0.051 0.000 1.897 338 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 338 A C 2.155 179.772 177.584 0.054 0.000 1.181 338 A CA 1.440 53.513 52.037 0.059 0.000 0.620 338 A CB -0.427 18.608 19.000 0.059 0.000 0.821 338 A HN 0.461 nan 8.150 nan 0.000 0.443 339 I N 0.113 120.711 120.570 0.046 0.000 2.099 339 I HA -0.319 3.851 4.170 -0.000 0.000 0.239 339 I C 2.575 178.719 176.117 0.045 0.000 1.066 339 I CA 1.715 63.043 61.300 0.048 0.000 1.324 339 I CB -0.481 37.543 38.000 0.040 0.000 1.037 339 I HN 0.475 nan 8.210 nan 0.000 0.401 340 N N 0.907 119.622 118.700 0.026 0.000 2.137 340 N HA -0.238 4.501 4.740 -0.000 0.000 0.190 340 N C 1.745 177.261 175.510 0.010 0.000 1.017 340 N CA 1.761 54.816 53.050 0.008 0.000 0.859 340 N CB 0.007 38.478 38.487 -0.028 0.000 1.002 340 N HN 0.460 nan 8.380 nan 0.000 0.428 341 E N -0.495 119.716 120.200 0.018 0.000 2.072 341 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 341 E C 2.023 178.655 176.600 0.054 0.000 0.985 341 E CA 0.917 57.339 56.400 0.037 0.000 0.801 341 E CB -0.306 29.436 29.700 0.069 0.000 0.750 341 E HN 0.452 nan 8.360 nan 0.000 0.452 342 G N 1.362 110.201 108.800 0.065 0.000 2.421 342 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 342 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 342 G C 1.702 176.652 174.900 0.084 0.000 1.171 342 G CA 0.980 46.128 45.100 0.079 0.000 0.775 342 G HN 0.349 nan 8.290 nan 0.000 0.543 343 A N 1.173 124.046 122.820 0.087 0.000 1.877 343 A HA 0.269 4.589 4.320 -0.000 0.000 0.216 343 A C 2.834 180.473 177.584 0.092 0.000 1.186 343 A CA 2.378 54.479 52.037 0.106 0.000 0.620 343 A CB -0.882 18.177 19.000 0.097 0.000 0.822 343 A HN 0.841 nan 8.150 nan 0.000 0.443 344 A N -0.545 122.312 122.820 0.062 0.000 1.933 344 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 344 A C 2.165 179.771 177.584 0.037 0.000 1.175 344 A CA 1.691 53.760 52.037 0.053 0.000 0.628 344 A CB -0.599 18.421 19.000 0.032 0.000 0.814 344 A HN 0.789 nan 8.150 nan 0.000 0.444 345 L N -0.547 120.685 121.223 0.015 0.000 2.093 345 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 345 L C 2.264 179.048 176.870 -0.143 0.000 1.085 345 L CA 1.640 56.439 54.840 -0.067 0.000 0.755 345 L CB -0.272 41.742 42.059 -0.076 0.000 0.904 345 L HN 0.109 nan 8.230 nan 0.000 0.435 346 V N -0.090 119.805 119.914 -0.032 0.000 2.453 346 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 346 V C 2.164 178.222 176.094 -0.061 0.000 1.048 346 V CA 1.782 64.091 62.300 0.014 0.000 1.049 346 V CB -0.660 31.279 31.823 0.193 0.000 0.672 346 V HN 0.476 nan 8.190 nan 0.000 0.457 347 D N -0.117 120.298 120.400 0.026 0.000 2.123 347 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 347 D C 2.247 178.470 176.300 -0.128 0.000 0.992 347 D CA 1.916 55.919 54.000 0.005 0.000 0.833 347 D CB -0.357 40.508 40.800 0.108 0.000 0.954 347 D HN 0.385 nan 8.370 nan 0.000 0.455 348 T N 0.433 114.909 114.554 -0.129 0.000 2.708 348 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 348 T C 2.228 176.720 174.700 -0.348 0.000 1.037 348 T CA 0.809 62.800 62.100 -0.182 0.000 1.146 348 T CB -0.182 68.622 68.868 -0.107 0.000 0.865 348 T HN -0.013 nan 8.240 nan 0.000 0.435 349 V N -0.204 119.391 119.914 -0.532 0.000 2.488 349 V HA 0.059 4.179 4.120 -0.000 0.000 0.246 349 V C 1.680 177.202 176.094 -0.952 0.000 1.046 349 V CA 1.432 63.222 62.300 -0.850 0.000 1.053 349 V CB -0.438 30.612 31.823 -1.287 0.000 0.679 349 V HN 0.395 nan 8.190 nan 0.000 0.458 350 F N -0.280 119.372 119.950 -0.497 0.000 2.747 350 F HA 0.500 5.027 4.527 -0.000 0.000 0.305 350 F C 1.667 176.957 175.800 -0.850 0.000 1.065 350 F CA -0.136 57.497 58.000 -0.611 0.000 1.230 350 F CB -0.697 37.905 39.000 -0.663 0.000 1.027 350 F HN 0.107 nan 8.300 nan 0.000 0.607 351 G N 0.155 108.486 108.800 -0.782 0.000 2.611 351 G HA2 0.119 4.079 3.960 -0.000 0.000 0.273 351 G HA3 0.119 4.079 3.960 -0.000 0.000 0.273 351 G C 0.238 175.047 174.900 -0.152 0.000 1.305 351 G CA -0.396 44.432 45.100 -0.453 0.000 1.010 351 G HN 0.143 nan 8.290 nan 0.000 0.509 352 N N 0.140 118.838 118.700 -0.003 0.000 2.535 352 N HA 0.160 4.900 4.740 -0.000 0.000 0.294 352 N C -0.329 175.176 175.510 -0.008 0.000 1.408 352 N CA 0.019 53.063 53.050 -0.011 0.000 0.927 352 N CB 1.152 39.659 38.487 0.033 0.000 1.276 352 N HN 0.374 nan 8.380 nan 0.000 0.505 353 K N 1.456 121.842 120.400 -0.024 0.000 3.088 353 K HA 0.234 4.553 4.320 -0.000 0.000 0.193 353 K C -3.000 173.602 176.600 0.004 0.000 1.176 353 K CA -1.169 55.125 56.287 0.011 0.000 0.907 353 K CB 1.412 33.947 32.500 0.059 0.000 1.139 353 K HN -0.095 nan 8.250 nan 0.000 0.597 354 P HA 0.024 nan 4.420 nan 0.000 0.264 354 P C -0.955 176.459 177.300 0.191 0.000 1.183 354 P CA 0.315 63.407 63.100 -0.013 0.000 0.763 354 P CB 0.498 32.105 31.700 -0.155 0.000 0.807 355 R N 1.566 122.284 120.500 0.364 0.000 2.579 355 R HA 0.359 4.699 4.340 -0.000 0.000 0.260 355 R C -1.206 175.206 176.300 0.186 0.000 1.103 355 R CA -0.836 55.416 56.100 0.253 0.000 0.942 355 R CB 1.399 31.773 30.300 0.123 0.000 1.251 355 R HN 0.488 nan 8.270 nan 0.000 0.450 356 K N 1.436 121.806 120.400 -0.049 0.000 2.385 356 K HA 0.481 4.801 4.320 -0.000 0.000 0.248 356 K C -1.098 175.412 176.600 -0.150 0.000 0.955 356 K CA -0.769 55.371 56.287 -0.245 0.000 0.816 356 K CB 2.246 34.348 32.500 -0.663 0.000 1.250 356 K HN 0.313 nan 8.250 nan 0.000 0.434 357 T N 1.862 116.324 114.554 -0.153 0.000 2.851 357 T HA 0.015 4.365 4.350 -0.000 0.000 0.298 357 T C -0.788 173.727 174.700 -0.307 0.000 0.977 357 T CA 0.110 62.068 62.100 -0.238 0.000 1.126 357 T CB 0.596 69.271 68.868 -0.322 0.000 0.916 357 T HN 0.561 nan 8.240 nan 0.000 0.529 358 D N 1.359 121.611 120.400 -0.248 0.000 2.313 358 D HA 0.081 4.720 4.640 -0.000 0.000 0.239 358 D C 0.821 176.996 176.300 -0.209 0.000 1.142 358 D CA -0.287 53.622 54.000 -0.151 0.000 0.847 358 D CB 0.464 41.222 40.800 -0.070 0.000 1.082 358 D HN 0.579 nan 8.370 nan 0.000 0.480 359 H N 1.979 121.041 119.070 -0.015 0.000 2.551 359 H HA 0.089 4.645 4.556 -0.000 0.000 0.271 359 H C 0.577 175.906 175.328 0.002 0.000 0.984 359 H CA 0.196 56.241 56.048 -0.004 0.000 1.164 359 H CB 0.374 30.132 29.762 -0.007 0.000 1.437 359 H HN 0.413 nan 8.280 nan 0.000 0.550 360 T N -1.251 113.363 114.554 0.099 0.000 2.899 360 T HA 0.281 4.630 4.350 -0.000 0.000 0.284 360 T C 0.671 175.397 174.700 0.043 0.000 1.004 360 T CA -0.693 61.447 62.100 0.068 0.000 1.043 360 T CB 1.683 70.586 68.868 0.059 0.000 1.013 360 T HN 0.357 nan 8.240 nan 0.000 0.518 361 R N -0.676 119.847 120.500 0.038 0.000 3.776 361 R HA -0.097 4.243 4.340 -0.000 0.000 0.312 361 R C -0.585 175.727 176.300 0.020 0.000 1.181 361 R CA 0.392 56.507 56.100 0.025 0.000 0.836 361 R CB -2.510 27.805 30.300 0.026 0.000 1.324 361 R HN 0.567 nan 8.270 nan 0.000 0.501 362 V N 1.334 121.263 119.914 0.026 0.000 2.408 362 V HA 0.431 4.550 4.120 -0.000 0.000 0.267 362 V C 1.091 177.205 176.094 0.033 0.000 1.047 362 V CA 0.089 62.406 62.300 0.028 0.000 0.937 362 V CB 1.324 33.170 31.823 0.038 0.000 0.999 362 V HN 0.360 nan 8.190 nan 0.000 0.472 363 A N 5.163 128.003 122.820 0.033 0.000 2.440 363 A HA 0.688 5.008 4.320 -0.000 0.000 0.251 363 A C 0.503 178.127 177.584 0.066 0.000 1.089 363 A CA 0.265 52.325 52.037 0.039 0.000 0.779 363 A CB 0.353 19.375 19.000 0.036 0.000 1.022 363 A HN 1.161 nan 8.150 nan 0.000 0.492 364 S N 0.524 116.275 115.700 0.084 0.000 2.671 364 S HA 0.887 5.357 4.470 -0.000 0.000 0.277 364 S C -0.582 174.082 174.600 0.108 0.000 1.165 364 S CA -0.141 58.139 58.200 0.132 0.000 0.822 364 S CB 1.481 64.805 63.200 0.206 0.000 1.150 364 S HN 2.211 nan 8.310 nan 0.000 0.479 365 A N 0.067 122.936 122.820 0.083 0.000 2.469 365 A HA 0.890 5.210 4.320 -0.000 0.000 0.299 365 A C -0.968 176.534 177.584 -0.136 0.000 1.098 365 A CA -0.657 51.264 52.037 -0.195 0.000 0.737 365 A CB 1.741 20.352 19.000 -0.648 0.000 1.312 365 A HN 1.943 nan 8.150 nan 0.000 0.414 366 V N 1.393 121.097 119.914 -0.350 0.000 2.443 366 V HA 0.647 4.767 4.120 -0.000 0.000 0.293 366 V C -1.437 174.428 176.094 -0.381 0.000 1.021 366 V CA -0.538 61.593 62.300 -0.280 0.000 0.848 366 V CB 0.799 32.322 31.823 -0.500 0.000 0.998 366 V HN 0.720 nan 8.190 nan 0.000 0.424 367 F N 5.596 125.552 119.950 0.010 0.000 2.833 367 F HA 0.338 4.865 4.527 -0.000 0.000 0.327 367 F C 1.469 177.227 175.800 -0.070 0.000 1.184 367 F CA 0.025 58.009 58.000 -0.026 0.000 1.328 367 F CB -0.323 38.671 39.000 -0.010 0.000 1.440 367 F HN 0.669 nan 8.300 nan 0.000 0.569 368 S N -0.299 115.384 115.700 -0.027 0.000 2.655 368 S HA 0.600 5.070 4.470 -0.000 0.000 0.265 368 S C -0.226 174.348 174.600 -0.044 0.000 1.240 368 S CA -0.719 57.444 58.200 -0.060 0.000 0.986 368 S CB 1.534 64.650 63.200 -0.140 0.000 0.985 368 S HN 0.265 nan 8.310 nan 0.000 0.562 369 I N 2.631 123.174 120.570 -0.046 0.000 2.405 369 I HA 0.340 4.510 4.170 -0.000 0.000 0.280 369 I C -2.112 173.986 176.117 -0.032 0.000 1.027 369 I CA -2.133 59.145 61.300 -0.037 0.000 1.161 369 I CB 1.685 39.665 38.000 -0.034 0.000 1.300 369 I HN 0.549 nan 8.210 nan 0.000 0.463 370 P HA 0.415 nan 4.420 nan 0.000 0.278 370 P C -2.826 174.419 177.300 -0.092 0.000 1.266 370 P CA -1.846 61.223 63.100 -0.052 0.000 0.807 370 P CB 0.505 32.174 31.700 -0.051 0.000 1.094 371 P HA 0.417 nan 4.420 nan 0.000 0.282 371 P C -0.426 176.748 177.300 -0.208 0.000 1.259 371 P CA -0.320 62.689 63.100 -0.152 0.000 0.826 371 P CB 1.025 32.658 31.700 -0.111 0.000 1.064 372 I N 0.200 120.611 120.570 -0.265 0.000 2.562 372 I HA 0.611 4.781 4.170 -0.000 0.000 0.301 372 I C 0.616 176.624 176.117 -0.182 0.000 1.003 372 I CA -0.518 60.646 61.300 -0.227 0.000 1.127 372 I CB 2.130 39.967 38.000 -0.272 0.000 1.304 372 I HN 0.376 nan 8.210 nan 0.000 0.446 373 G N 2.219 110.962 108.800 -0.095 0.000 2.723 373 G HA2 0.558 4.518 3.960 -0.000 0.000 0.295 373 G HA3 0.558 4.518 3.960 -0.000 0.000 0.295 373 G C -1.159 173.750 174.900 0.014 0.000 1.464 373 G CA -0.284 44.790 45.100 -0.043 0.000 1.012 373 G HN 0.477 nan 8.290 nan 0.000 0.522 374 T N -0.235 114.348 114.554 0.049 0.000 2.906 374 T HA 0.617 4.967 4.350 -0.000 0.000 0.295 374 T C -1.240 173.443 174.700 -0.028 0.000 1.061 374 T CA -0.589 61.523 62.100 0.020 0.000 1.000 374 T CB 1.699 70.668 68.868 0.167 0.000 1.103 374 T HN 1.101 nan 8.240 nan 0.000 0.486 375 C N 3.373 122.594 119.300 -0.132 0.000 2.716 375 C HA 0.844 5.304 4.460 -0.000 0.000 0.366 375 C C 0.621 175.527 174.990 -0.141 0.000 1.073 375 C CA 1.055 60.021 59.018 -0.086 0.000 1.260 375 C CB -0.205 27.510 27.740 -0.042 0.000 1.755 375 C HN 1.652 nan 8.230 nan 0.000 0.475 376 G N 4.667 113.434 108.800 -0.055 0.000 2.482 376 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 376 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 376 G C -1.138 173.792 174.900 0.050 0.000 1.271 376 G CA -0.313 44.778 45.100 -0.016 0.000 0.944 376 G HN 1.071 nan 8.290 nan 0.000 0.568 377 L N 1.347 122.624 121.223 0.090 0.000 2.350 377 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 377 L C 1.353 178.360 176.870 0.229 0.000 1.099 377 L CA -0.831 54.088 54.840 0.132 0.000 0.808 377 L CB 1.139 43.261 42.059 0.106 0.000 1.149 377 L HN 0.689 nan 8.230 nan 0.000 0.442 378 I N -0.695 119.926 120.570 0.085 0.000 2.532 378 I HA 0.152 4.322 4.170 -0.000 0.000 0.292 378 I C 1.314 177.393 176.117 -0.064 0.000 1.014 378 I CA -0.599 60.645 61.300 -0.094 0.000 1.340 378 I CB 1.080 38.970 38.000 -0.183 0.000 1.422 378 I HN 0.859 nan 8.210 nan 0.000 0.528 379 E N 4.174 124.317 120.200 -0.095 0.000 2.114 379 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 379 E C 1.261 177.678 176.600 -0.304 0.000 1.008 379 E CA 1.908 58.223 56.400 -0.141 0.000 0.810 379 E CB -0.375 29.305 29.700 -0.035 0.000 0.739 379 E HN 0.850 nan 8.360 nan 0.000 0.456 380 E N 1.422 121.483 120.200 -0.232 0.000 2.153 380 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 380 E C 2.350 178.864 176.600 -0.144 0.000 0.988 380 E CA 1.344 57.605 56.400 -0.232 0.000 0.811 380 E CB -0.497 29.141 29.700 -0.104 0.000 0.746 380 E HN 0.342 nan 8.360 nan 0.000 0.466 381 V N 1.824 121.689 119.914 -0.082 0.000 2.488 381 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 381 V C 2.666 178.770 176.094 0.017 0.000 1.046 381 V CA 1.436 63.720 62.300 -0.027 0.000 1.053 381 V CB -0.695 31.125 31.823 -0.004 0.000 0.679 381 V HN 0.384 nan 8.190 nan 0.000 0.458 382 A N 0.483 123.320 122.820 0.028 0.000 1.877 382 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 382 A C 2.378 180.070 177.584 0.180 0.000 1.186 382 A CA 2.025 54.155 52.037 0.155 0.000 0.620 382 A CB -0.781 18.267 19.000 0.080 0.000 0.822 382 A HN 0.567 nan 8.150 nan 0.000 0.443 383 A N -0.573 122.233 122.820 -0.023 0.000 2.121 383 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 383 A C 2.020 179.624 177.584 0.033 0.000 1.154 383 A CA 1.573 53.602 52.037 -0.013 0.000 0.679 383 A CB -0.340 18.501 19.000 -0.265 0.000 0.795 383 A HN 0.570 nan 8.150 nan 0.000 0.458 384 K N -0.675 119.727 120.400 0.004 0.000 2.167 384 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 384 K C 1.271 177.847 176.600 -0.041 0.000 1.052 384 K CA 1.331 57.614 56.287 -0.007 0.000 0.956 384 K CB 0.013 32.502 32.500 -0.019 0.000 0.735 384 K HN 0.391 nan 8.250 nan 0.000 0.451 385 E N -0.736 119.424 120.200 -0.066 0.000 2.479 385 E HA 0.125 4.475 4.350 -0.000 0.000 0.193 385 E C -0.859 175.379 176.600 -0.604 0.000 1.049 385 E CA 0.200 56.400 56.400 -0.333 0.000 0.870 385 E CB 0.331 29.762 29.700 -0.448 0.000 0.944 385 E HN 0.015 nan 8.360 nan 0.000 0.492 386 F N -0.991 118.978 119.950 0.031 0.000 2.581 386 F HA 0.259 4.786 4.527 -0.000 0.000 0.311 386 F C 1.086 176.926 175.800 0.067 0.000 1.113 386 F CA -0.924 57.106 58.000 0.050 0.000 0.935 386 F CB 1.911 40.947 39.000 0.061 0.000 1.232 386 F HN -0.239 nan 8.300 nan 0.000 0.445 387 E N 1.324 121.674 120.200 0.250 0.000 2.106 387 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 387 E C -0.353 176.367 176.600 0.200 0.000 0.984 387 E CA 1.290 57.793 56.400 0.172 0.000 0.806 387 E CB 0.313 30.088 29.700 0.125 0.000 0.750 387 E HN 0.407 nan 8.360 nan 0.000 0.458 388 K N 0.112 120.659 120.400 0.245 0.000 2.507 388 K HA 0.390 4.710 4.320 -0.000 0.000 0.252 388 K C -1.580 175.184 176.600 0.274 0.000 0.943 388 K CA -0.550 55.888 56.287 0.252 0.000 0.808 388 K CB 2.939 35.583 32.500 0.239 0.000 1.142 388 K HN -0.192 nan 8.250 nan 0.000 0.426 389 V N 1.945 122.034 119.914 0.291 0.000 2.459 389 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 389 V C -0.390 175.839 176.094 0.226 0.000 1.029 389 V CA -0.824 61.614 62.300 0.231 0.000 0.874 389 V CB 1.611 33.567 31.823 0.222 0.000 0.985 389 V HN 0.908 nan 8.190 nan 0.000 0.438 390 A N 4.397 127.280 122.820 0.105 0.000 2.324 390 A HA 0.873 5.193 4.320 -0.000 0.000 0.330 390 A C -0.790 176.631 177.584 -0.271 0.000 1.165 390 A CA -0.549 51.356 52.037 -0.221 0.000 0.813 390 A CB 1.524 20.372 19.000 -0.252 0.000 1.197 390 A HN 0.663 nan 8.150 nan 0.000 0.484 391 V N 2.266 121.804 119.914 -0.626 0.000 2.417 391 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 391 V C -1.292 174.355 176.094 -0.746 0.000 1.024 391 V CA -0.302 61.638 62.300 -0.601 0.000 0.861 391 V CB 0.932 32.229 31.823 -0.877 0.000 0.985 391 V HN 0.766 nan 8.190 nan 0.000 0.436 392 Y N 4.774 124.883 120.300 -0.318 0.000 2.334 392 Y HA 0.679 5.229 4.550 -0.000 0.000 0.336 392 Y C 0.138 175.951 175.900 -0.145 0.000 0.960 392 Y CA -0.393 57.574 58.100 -0.223 0.000 1.164 392 Y CB 1.761 40.126 38.460 -0.160 0.000 1.155 392 Y HN 0.546 nan 8.280 nan 0.000 0.478 393 M N 3.273 122.866 119.600 -0.012 0.000 2.326 393 M HA 0.561 5.041 4.480 -0.000 0.000 0.306 393 M C -1.306 175.050 176.300 0.092 0.000 1.054 393 M CA -0.406 54.920 55.300 0.044 0.000 0.922 393 M CB 1.654 34.276 32.600 0.035 0.000 1.632 393 M HN 0.560 nan 8.290 nan 0.000 0.436 394 S N 2.678 118.467 115.700 0.149 0.000 2.594 394 S HA 0.726 5.196 4.470 -0.000 0.000 0.296 394 S C -1.503 173.278 174.600 0.300 0.000 1.124 394 S CA -0.433 57.896 58.200 0.216 0.000 1.011 394 S CB 1.566 64.918 63.200 0.254 0.000 1.016 394 S HN 0.754 nan 8.310 nan 0.000 0.485 395 S N 4.840 120.752 115.700 0.353 0.000 2.689 395 S HA 0.808 5.278 4.470 -0.000 0.000 0.274 395 S C -1.307 173.587 174.600 0.490 0.000 1.176 395 S CA -0.633 57.772 58.200 0.341 0.000 1.014 395 S CB 0.215 63.527 63.200 0.187 0.000 1.071 395 S HN 1.257 nan 8.310 nan 0.000 0.478 396 F N -0.258 119.772 119.950 0.132 0.000 2.793 396 F HA 0.528 5.055 4.527 -0.000 0.000 0.316 396 F C -0.929 174.949 175.800 0.131 0.000 1.147 396 F CA -0.932 57.133 58.000 0.108 0.000 0.930 396 F CB 0.411 39.464 39.000 0.088 0.000 1.277 396 F HN 0.262 nan 8.300 nan 0.000 0.443 397 T N 3.702 118.292 114.554 0.060 0.000 2.799 397 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 397 T C -2.457 172.166 174.700 -0.129 0.000 0.947 397 T CA -0.532 61.549 62.100 -0.032 0.000 1.141 397 T CB 0.476 69.377 68.868 0.056 0.000 0.891 397 T HN 0.372 nan 8.240 nan 0.000 0.533 398 P HA 0.116 nan 4.420 nan 0.000 0.270 398 P C 0.956 178.237 177.300 -0.032 0.000 1.223 398 P CA -0.623 62.360 63.100 -0.195 0.000 0.785 398 P CB 0.518 32.103 31.700 -0.191 0.000 0.923 399 L N 3.134 124.357 121.223 -0.000 0.000 2.017 399 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 399 L C 2.128 179.001 176.870 0.005 0.000 1.073 399 L CA 1.911 56.770 54.840 0.032 0.000 0.745 399 L CB -1.354 40.732 42.059 0.044 0.000 0.894 399 L HN 0.454 nan 8.230 nan 0.000 0.432 400 M N -2.302 117.276 119.600 -0.038 0.000 2.331 400 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 400 M C 1.407 177.697 176.300 -0.016 0.000 1.072 400 M CA 1.880 57.186 55.300 0.010 0.000 1.065 400 M CB -0.817 31.745 32.600 -0.063 0.000 1.392 400 M HN 0.224 nan 8.290 nan 0.000 0.427 401 H N 0.312 119.408 119.070 0.042 0.000 2.563 401 H HA 0.229 4.785 4.556 -0.000 0.000 0.264 401 H C 0.670 175.980 175.328 -0.030 0.000 0.957 401 H CA 0.355 56.399 56.048 -0.007 0.000 1.173 401 H CB -0.072 29.645 29.762 -0.075 0.000 1.420 401 H HN 0.537 nan 8.280 nan 0.000 0.551 402 N N 0.448 119.197 118.700 0.082 0.000 2.421 402 N HA 0.034 4.774 4.740 -0.000 0.000 0.201 402 N C 0.814 176.306 175.510 -0.030 0.000 1.198 402 N CA 0.296 53.364 53.050 0.029 0.000 0.838 402 N CB 0.643 39.148 38.487 0.030 0.000 1.011 402 N HN 0.346 nan 8.380 nan 0.000 0.463 403 I N -1.192 119.338 120.570 -0.068 0.000 4.578 403 I HA -0.055 4.115 4.170 -0.000 0.000 0.312 403 I C 1.917 177.913 176.117 -0.202 0.000 1.224 403 I CA 0.342 61.499 61.300 -0.239 0.000 1.318 403 I CB 0.126 37.799 38.000 -0.545 0.000 1.388 403 I HN -0.024 nan 8.210 nan 0.000 0.461 404 S N 0.504 116.213 115.700 0.016 0.000 2.428 404 S HA 0.109 4.578 4.470 -0.000 0.000 0.230 404 S C 1.906 176.588 174.600 0.138 0.000 1.014 404 S CA 1.034 59.372 58.200 0.229 0.000 0.957 404 S CB -0.122 63.375 63.200 0.495 0.000 0.784 404 S HN 0.632 nan 8.310 nan 0.000 0.499 405 G N 0.303 109.148 108.800 0.075 0.000 2.213 405 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.236 405 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.236 405 G C 0.419 175.318 174.900 -0.002 0.000 0.991 405 G CA 0.156 45.281 45.100 0.042 0.000 0.629 405 G HN 0.676 nan 8.290 nan 0.000 0.517 406 S N 1.405 117.043 115.700 -0.104 0.000 4.183 406 S HA 0.270 4.739 4.470 -0.000 0.000 0.195 406 S C 1.595 175.828 174.600 -0.610 0.000 1.421 406 S CA 0.316 58.211 58.200 -0.509 0.000 0.920 406 S CB 0.457 63.166 63.200 -0.818 0.000 1.525 406 S HN 0.535 nan 8.310 nan 0.000 0.447 407 K N 0.693 120.951 120.400 -0.236 0.000 2.209 407 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 407 K C 1.549 178.089 176.600 -0.100 0.000 1.048 407 K CA 1.314 57.546 56.287 -0.092 0.000 0.940 407 K CB -0.214 32.302 32.500 0.026 0.000 0.729 407 K HN 0.806 nan 8.250 nan 0.000 0.451 408 Y N 0.376 120.651 120.300 -0.042 0.000 2.497 408 Y HA 0.025 4.575 4.550 -0.000 0.000 0.292 408 Y C 0.343 176.205 175.900 -0.063 0.000 1.137 408 Y CA 0.221 58.295 58.100 -0.044 0.000 1.285 408 Y CB -0.463 37.966 38.460 -0.051 0.000 0.991 408 Y HN -0.255 nan 8.280 nan 0.000 0.556 409 K N 2.874 122.950 120.400 -0.540 0.000 2.408 409 K HA 0.052 4.371 4.320 -0.000 0.000 0.231 409 K C -0.318 176.227 176.600 -0.092 0.000 1.261 409 K CA 0.123 56.209 56.287 -0.334 0.000 1.193 409 K CB -0.133 31.999 32.500 -0.612 0.000 1.431 409 K HN 0.322 nan 8.250 nan 0.000 0.243 410 K N 1.488 121.876 120.400 -0.019 0.000 2.447 410 K HA -0.005 4.315 4.320 -0.000 0.000 0.281 410 K C -0.186 176.418 176.600 0.007 0.000 1.031 410 K CA 0.039 56.334 56.287 0.013 0.000 1.019 410 K CB 0.303 32.828 32.500 0.043 0.000 0.918 410 K HN 0.209 nan 8.250 nan 0.000 0.476 411 F N 4.150 124.017 119.950 -0.138 0.000 2.445 411 F HA 0.102 4.629 4.527 -0.000 0.000 0.359 411 F C -0.182 175.586 175.800 -0.053 0.000 1.101 411 F CA -0.603 57.325 58.000 -0.119 0.000 1.177 411 F CB 0.645 39.527 39.000 -0.197 0.000 1.110 411 F HN 0.098 nan 8.300 nan 0.000 0.522 412 V N 6.046 125.784 119.914 -0.293 0.000 2.439 412 V HA 0.719 4.839 4.120 -0.000 0.000 0.282 412 V C -0.070 175.991 176.094 -0.054 0.000 1.039 412 V CA -0.610 61.643 62.300 -0.078 0.000 0.913 412 V CB 1.034 32.797 31.823 -0.100 0.000 0.983 412 V HN 0.902 nan 8.190 nan 0.000 0.460 413 A N 5.272 128.205 122.820 0.189 0.000 2.359 413 A HA 0.819 5.139 4.320 -0.000 0.000 0.303 413 A C -0.595 177.072 177.584 0.138 0.000 1.066 413 A CA -0.767 51.392 52.037 0.204 0.000 0.730 413 A CB 1.215 20.424 19.000 0.348 0.000 1.211 413 A HN 0.767 nan 8.150 nan 0.000 0.439 414 K N 2.176 122.638 120.400 0.103 0.000 2.443 414 K HA 0.634 4.954 4.320 -0.000 0.000 0.252 414 K C -1.467 175.169 176.600 0.061 0.000 0.933 414 K CA -0.286 56.058 56.287 0.095 0.000 0.792 414 K CB 2.233 34.808 32.500 0.124 0.000 1.185 414 K HN 0.677 nan 8.250 nan 0.000 0.425 415 I N 3.163 123.749 120.570 0.026 0.000 2.406 415 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 415 I C -0.575 175.571 176.117 0.048 0.000 0.999 415 I CA -1.206 60.060 61.300 -0.057 0.000 1.124 415 I CB 1.929 39.791 38.000 -0.230 0.000 1.289 415 I HN 0.174 nan 8.210 nan 0.000 0.441 416 V N 5.225 125.159 119.914 0.034 0.000 2.347 416 V HA 0.378 4.498 4.120 -0.000 0.000 0.280 416 V C 0.397 176.503 176.094 0.019 0.000 1.021 416 V CA -0.374 61.957 62.300 0.051 0.000 0.847 416 V CB 1.546 33.421 31.823 0.087 0.000 0.990 416 V HN 0.877 nan 8.190 nan 0.000 0.444 417 T N 1.047 115.636 114.554 0.058 0.000 2.950 417 T HA 0.431 4.781 4.350 -0.000 0.000 0.288 417 T C -0.153 174.520 174.700 -0.045 0.000 1.035 417 T CA -0.858 61.257 62.100 0.024 0.000 1.028 417 T CB 1.627 70.571 68.868 0.126 0.000 1.109 417 T HN 0.452 nan 8.240 nan 0.000 0.514 418 N N 0.230 118.828 118.700 -0.170 0.000 2.402 418 N HA 0.089 4.829 4.740 -0.000 0.000 0.252 418 N C 0.580 176.088 175.510 -0.003 0.000 1.118 418 N CA -0.119 52.780 53.050 -0.252 0.000 0.945 418 N CB 0.319 38.509 38.487 -0.495 0.000 1.147 418 N HN 0.857 nan 8.380 nan 0.000 0.495 419 H N 2.224 121.311 119.070 0.028 0.000 2.491 419 H HA 0.045 4.601 4.556 -0.000 0.000 0.290 419 H C 1.284 176.659 175.328 0.080 0.000 1.050 419 H CA 1.633 57.744 56.048 0.104 0.000 1.309 419 H CB 0.445 30.329 29.762 0.204 0.000 1.392 419 H HN 0.537 nan 8.280 nan 0.000 0.554 420 S N -0.189 115.517 115.700 0.010 0.000 2.400 420 S HA -0.145 4.325 4.470 -0.000 0.000 0.232 420 S C 1.286 175.848 174.600 -0.064 0.000 1.025 420 S CA 1.538 59.721 58.200 -0.028 0.000 0.993 420 S CB -0.030 63.200 63.200 0.051 0.000 0.808 420 S HN 0.852 nan 8.310 nan 0.000 0.478 421 D N -2.240 118.128 120.400 -0.053 0.000 2.486 421 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 421 D C 1.136 177.414 176.300 -0.036 0.000 1.146 421 D CA 0.840 54.815 54.000 -0.040 0.000 0.821 421 D CB -0.217 40.578 40.800 -0.009 0.000 1.201 421 D HN 0.380 nan 8.370 nan 0.000 0.525 422 G N 0.312 109.093 108.800 -0.031 0.000 2.194 422 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 422 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 422 G C 0.416 175.318 174.900 0.002 0.000 0.987 422 G CA 0.211 45.315 45.100 0.006 0.000 0.635 422 G HN 0.420 nan 8.290 nan 0.000 0.520 423 T N 1.614 116.154 114.554 -0.023 0.000 2.908 423 T HA 0.370 4.720 4.350 -0.000 0.000 0.301 423 T C 0.775 175.450 174.700 -0.042 0.000 1.019 423 T CA 0.237 62.322 62.100 -0.025 0.000 1.152 423 T CB 1.975 70.816 68.868 -0.044 0.000 0.966 423 T HN 0.503 nan 8.240 nan 0.000 0.540 424 V N 5.794 125.706 119.914 -0.002 0.000 2.455 424 V HA 0.111 4.231 4.120 -0.000 0.000 0.273 424 V C 1.244 177.319 176.094 -0.033 0.000 1.045 424 V CA 0.059 62.346 62.300 -0.022 0.000 0.976 424 V CB 0.691 32.526 31.823 0.021 0.000 0.993 424 V HN 0.814 nan 8.190 nan 0.000 0.475 425 L N 4.164 125.351 121.223 -0.059 0.000 2.354 425 L HA 0.462 4.802 4.340 -0.000 0.000 0.212 425 L C 1.048 177.910 176.870 -0.014 0.000 1.091 425 L CA 0.721 55.536 54.840 -0.042 0.000 0.828 425 L CB 0.106 42.121 42.059 -0.073 0.000 0.973 425 L HN 0.781 nan 8.230 nan 0.000 0.461 426 G N -0.402 108.372 108.800 -0.043 0.000 2.752 426 G HA2 0.518 4.478 3.960 -0.000 0.000 0.298 426 G HA3 0.518 4.478 3.960 -0.000 0.000 0.298 426 G C -1.863 172.880 174.900 -0.262 0.000 1.434 426 G CA -0.301 44.733 45.100 -0.111 0.000 1.004 426 G HN -0.275 nan 8.290 nan 0.000 0.560 427 V N 3.318 122.920 119.914 -0.520 0.000 2.588 427 V HA 0.652 4.772 4.120 -0.000 0.000 0.304 427 V C -0.892 174.789 176.094 -0.689 0.000 1.042 427 V CA -0.866 61.175 62.300 -0.433 0.000 0.877 427 V CB 1.907 33.593 31.823 -0.228 0.000 0.996 427 V HN 0.810 nan 8.190 nan 0.000 0.425 428 H N 5.344 124.406 119.070 -0.013 0.000 2.782 428 H HA 0.659 5.215 4.556 -0.000 0.000 0.347 428 H C -1.260 174.051 175.328 -0.028 0.000 1.038 428 H CA -0.507 55.539 56.048 -0.004 0.000 1.255 428 H CB 2.389 32.156 29.762 0.008 0.000 1.623 428 H HN 0.404 nan 8.280 nan 0.000 0.525 429 L N 3.234 124.473 121.223 0.026 0.000 2.388 429 L HA 0.467 4.807 4.340 -0.000 0.000 0.264 429 L C -1.029 175.687 176.870 -0.256 0.000 0.998 429 L CA -1.090 53.679 54.840 -0.118 0.000 0.817 429 L CB 2.887 44.923 42.059 -0.038 0.000 1.338 429 L HN 0.273 nan 8.230 nan 0.000 0.414 430 L N 1.789 122.684 121.223 -0.547 0.000 2.438 430 L HA 0.986 5.326 4.340 -0.000 0.000 0.270 430 L C -0.400 175.943 176.870 -0.878 0.000 0.972 430 L CA 0.308 54.840 54.840 -0.513 0.000 0.831 430 L CB 1.921 43.781 42.059 -0.332 0.000 1.273 430 L HN 0.736 nan 8.230 nan 0.000 0.405 431 G N 2.572 111.092 108.800 -0.466 0.000 2.317 431 G HA2 0.070 4.030 3.960 -0.000 0.000 0.445 431 G HA3 0.070 4.030 3.960 -0.000 0.000 0.445 431 G C -1.729 173.230 174.900 0.098 0.000 1.486 431 G CA -0.927 44.070 45.100 -0.173 0.000 0.991 431 G HN 0.656 nan 8.290 nan 0.000 0.660 432 D N 0.218 120.720 120.400 0.171 0.000 2.583 432 D HA 0.385 5.025 4.640 -0.000 0.000 0.232 432 D C 1.583 178.002 176.300 0.198 0.000 1.128 432 D CA 2.403 56.491 54.000 0.147 0.000 0.859 432 D CB 0.789 41.669 40.800 0.133 0.000 1.169 432 D HN 1.950 nan 8.370 nan 0.000 0.481 433 G N 1.838 110.722 108.800 0.140 0.000 2.225 433 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 433 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 433 G C 1.275 176.268 174.900 0.155 0.000 0.988 433 G CA 0.876 46.056 45.100 0.133 0.000 0.625 433 G HN 0.737 nan 8.290 nan 0.000 0.527 434 A N 1.403 124.322 122.820 0.165 0.000 1.903 434 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 434 A C 0.745 178.353 177.584 0.040 0.000 1.191 434 A CA 2.755 54.853 52.037 0.102 0.000 0.638 434 A CB -1.239 17.729 19.000 -0.053 0.000 0.823 434 A HN 0.482 nan 8.150 nan 0.000 0.451 435 P HA -0.142 nan 4.420 nan 0.000 0.218 435 P C 1.058 178.397 177.300 0.065 0.000 1.148 435 P CA 1.213 64.301 63.100 -0.019 0.000 0.822 435 P CB -0.061 31.625 31.700 -0.023 0.000 0.784 436 E N -0.463 119.789 120.200 0.086 0.000 2.086 436 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 436 E C 2.289 178.933 176.600 0.073 0.000 0.975 436 E CA 0.597 57.047 56.400 0.083 0.000 0.813 436 E CB -0.546 29.202 29.700 0.079 0.000 0.768 436 E HN 0.311 nan 8.360 nan 0.000 0.457 437 I N 0.988 121.609 120.570 0.085 0.000 2.163 437 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 437 I C 2.534 178.703 176.117 0.086 0.000 1.085 437 I CA 0.914 62.268 61.300 0.090 0.000 1.347 437 I CB -0.329 37.751 38.000 0.133 0.000 1.044 437 I HN 0.037 nan 8.210 nan 0.000 0.408 438 I N 0.930 121.546 120.570 0.076 0.000 2.493 438 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 438 I C 2.449 178.600 176.117 0.058 0.000 1.160 438 I CA 1.352 62.690 61.300 0.062 0.000 1.445 438 I CB -0.416 37.606 38.000 0.038 0.000 1.086 438 I HN 0.201 nan 8.210 nan 0.000 0.433 439 Q N 1.182 121.016 119.800 0.057 0.000 2.014 439 Q HA -0.214 4.126 4.340 -0.000 0.000 0.207 439 Q C 2.215 178.240 176.000 0.042 0.000 0.993 439 Q CA 2.738 58.571 55.803 0.050 0.000 0.850 439 Q CB -0.676 28.092 28.738 0.050 0.000 0.916 439 Q HN 0.537 nan 8.270 nan 0.000 0.417 440 A N -0.707 122.137 122.820 0.040 0.000 2.067 440 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 440 A C 2.239 179.845 177.584 0.037 0.000 1.158 440 A CA 1.308 53.360 52.037 0.026 0.000 0.661 440 A CB -0.544 18.464 19.000 0.013 0.000 0.801 440 A HN 0.289 nan 8.150 nan 0.000 0.452 441 V N -0.139 119.820 119.914 0.075 0.000 2.427 441 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 441 V C 2.829 178.974 176.094 0.085 0.000 1.051 441 V CA 1.780 64.156 62.300 0.127 0.000 1.048 441 V CB -1.359 30.556 31.823 0.152 0.000 0.666 441 V HN 0.602 nan 8.190 nan 0.000 0.456 442 G N 0.102 108.934 108.800 0.052 0.000 2.505 442 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 442 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 442 G C 1.631 176.548 174.900 0.029 0.000 1.145 442 G CA 1.532 46.653 45.100 0.035 0.000 0.761 442 G HN 0.422 nan 8.290 nan 0.000 0.571 443 V N 0.303 120.229 119.914 0.021 0.000 2.453 443 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 443 V C 3.047 179.140 176.094 -0.002 0.000 1.048 443 V CA 1.566 63.869 62.300 0.005 0.000 1.049 443 V CB -0.690 31.129 31.823 -0.006 0.000 0.672 443 V HN 0.518 nan 8.190 nan 0.000 0.457 444 C N -0.235 119.063 119.300 -0.003 0.000 2.398 444 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 444 C C 2.631 177.640 174.990 0.033 0.000 1.222 444 C CA 0.982 59.987 59.018 -0.022 0.000 1.746 444 C CB -1.134 26.588 27.740 -0.031 0.000 2.039 444 C HN 0.475 nan 8.230 nan 0.000 0.470 445 L N 0.616 121.878 121.223 0.065 0.000 1.994 445 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 445 L C 2.688 179.578 176.870 0.035 0.000 1.071 445 L CA 1.724 56.599 54.840 0.060 0.000 0.745 445 L CB -0.929 41.161 42.059 0.051 0.000 0.892 445 L HN 0.288 nan 8.230 nan 0.000 0.431 446 R N -0.440 120.074 120.500 0.024 0.000 2.154 446 R HA -0.193 4.147 4.340 -0.000 0.000 0.248 446 R C 1.843 178.150 176.300 0.012 0.000 1.155 446 R CA 1.475 57.584 56.100 0.016 0.000 0.979 446 R CB -0.274 30.032 30.300 0.009 0.000 0.869 446 R HN 0.337 nan 8.270 nan 0.000 0.452 447 L N 0.659 121.886 121.223 0.006 0.000 2.592 447 L HA 0.102 4.442 4.340 -0.000 0.000 0.227 447 L C -0.066 176.807 176.870 0.004 0.000 1.127 447 L CA 0.002 54.841 54.840 -0.002 0.000 0.884 447 L CB 0.085 42.132 42.059 -0.020 0.000 1.065 447 L HN 0.319 nan 8.230 nan 0.000 0.457 448 N N 0.049 118.759 118.700 0.018 0.000 2.776 448 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 448 N C 0.376 175.902 175.510 0.027 0.000 1.111 448 N CA 0.720 53.785 53.050 0.024 0.000 0.711 448 N CB -1.023 37.476 38.487 0.020 0.000 1.065 448 N HN 0.342 nan 8.380 nan 0.000 0.556 449 A N 0.592 123.433 122.820 0.036 0.000 2.587 449 A HA 0.100 4.420 4.320 -0.000 0.000 0.235 449 A C 0.734 178.381 177.584 0.105 0.000 1.044 449 A CA 0.760 52.830 52.037 0.056 0.000 0.754 449 A CB 0.352 19.407 19.000 0.093 0.000 0.968 449 A HN 0.293 nan 8.150 nan 0.000 0.509 450 K N 1.562 122.018 120.400 0.092 0.000 2.166 450 K HA 0.389 4.709 4.320 -0.000 0.000 0.245 450 K C 1.038 177.724 176.600 0.143 0.000 0.967 450 K CA -0.847 55.491 56.287 0.084 0.000 0.863 450 K CB 1.363 33.889 32.500 0.043 0.000 1.107 450 K HN 0.548 nan 8.250 nan 0.000 0.436 451 I N 1.855 122.458 120.570 0.054 0.000 2.248 451 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 451 I C 1.998 178.163 176.117 0.080 0.000 1.107 451 I CA 1.966 63.246 61.300 -0.034 0.000 1.373 451 I CB -0.372 37.436 38.000 -0.320 0.000 1.055 451 I HN 0.773 nan 8.210 nan 0.000 0.418 452 S N -0.439 115.307 115.700 0.078 0.000 2.399 452 S HA -0.198 4.272 4.470 -0.000 0.000 0.231 452 S C 1.787 176.466 174.600 0.130 0.000 1.022 452 S CA 1.351 59.624 58.200 0.122 0.000 0.983 452 S CB -0.773 62.477 63.200 0.083 0.000 0.803 452 S HN 0.542 nan 8.310 nan 0.000 0.480 453 D N 0.831 121.285 120.400 0.091 0.000 2.117 453 D HA 0.009 4.649 4.640 -0.000 0.000 0.198 453 D C 1.591 177.871 176.300 -0.033 0.000 0.982 453 D CA 0.958 54.956 54.000 -0.003 0.000 0.828 453 D CB -0.444 40.310 40.800 -0.077 0.000 0.967 453 D HN 0.436 nan 8.370 nan 0.000 0.464 454 F N 0.418 120.361 119.950 -0.012 0.000 2.095 454 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 454 F C 2.432 178.235 175.800 0.005 0.000 1.104 454 F CA 1.126 59.117 58.000 -0.014 0.000 1.232 454 F CB -0.580 38.401 39.000 -0.033 0.000 0.987 454 F HN -0.007 nan 8.300 nan 0.000 0.475 455 Y N 1.079 121.450 120.300 0.119 0.000 2.200 455 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 455 Y C 2.236 178.151 175.900 0.025 0.000 1.137 455 Y CA 1.543 59.671 58.100 0.047 0.000 1.163 455 Y CB -0.705 37.760 38.460 0.009 0.000 0.988 455 Y HN -0.062 nan 8.280 nan 0.000 0.518 456 N N -0.348 118.332 118.700 -0.034 0.000 2.166 456 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 456 N C 0.398 175.825 175.510 -0.138 0.000 1.019 456 N CA 1.341 54.328 53.050 -0.104 0.000 0.856 456 N CB -0.851 37.625 38.487 -0.018 0.000 0.993 456 N HN 0.190 nan 8.380 nan 0.000 0.426 457 T N 2.050 116.537 114.554 -0.111 0.000 2.908 457 T HA 0.080 4.430 4.350 -0.000 0.000 0.301 457 T C 0.809 175.439 174.700 -0.117 0.000 1.019 457 T CA 0.047 62.082 62.100 -0.108 0.000 1.152 457 T CB 0.482 69.282 68.868 -0.113 0.000 0.966 457 T HN 0.034 nan 8.240 nan 0.000 0.540 458 I N 2.799 123.311 120.570 -0.097 0.000 2.416 458 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 458 I C 1.455 177.538 176.117 -0.057 0.000 1.051 458 I CA -0.515 60.730 61.300 -0.090 0.000 1.375 458 I CB 0.608 38.563 38.000 -0.075 0.000 1.407 458 I HN 0.666 nan 8.210 nan 0.000 0.516 459 G N 5.762 114.530 108.800 -0.053 0.000 2.414 459 G HA2 0.269 4.229 3.960 -0.000 0.000 0.236 459 G HA3 0.269 4.229 3.960 -0.000 0.000 0.236 459 G C -0.172 174.736 174.900 0.014 0.000 1.293 459 G CA -0.385 44.708 45.100 -0.012 0.000 0.869 459 G HN 0.406 nan 8.290 nan 0.000 0.556 460 V N 3.048 122.981 119.914 0.031 0.000 2.461 460 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 460 V C 0.029 176.181 176.094 0.096 0.000 1.047 460 V CA -0.405 61.921 62.300 0.043 0.000 0.955 460 V CB 0.892 32.724 31.823 0.014 0.000 0.988 460 V HN 0.851 nan 8.190 nan 0.000 0.471 461 H N 5.869 124.927 119.070 -0.021 0.000 2.538 461 H HA 0.727 5.283 4.556 -0.000 0.000 0.353 461 H C -2.500 172.817 175.328 -0.017 0.000 1.109 461 H CA -1.863 54.175 56.048 -0.017 0.000 1.192 461 H CB 1.972 31.727 29.762 -0.011 0.000 1.555 461 H HN 0.538 nan 8.280 nan 0.000 0.518 462 P HA 0.354 nan 4.420 nan 0.000 0.296 462 P C -1.317 175.882 177.300 -0.170 0.000 1.306 462 P CA -0.650 62.160 63.100 -0.484 0.000 0.818 462 P CB 1.514 32.867 31.700 -0.578 0.000 0.969 463 T N -2.416 112.091 114.554 -0.078 0.000 2.853 463 T HA 0.320 4.670 4.350 -0.000 0.000 0.311 463 T C 0.810 175.404 174.700 -0.176 0.000 1.307 463 T CA -0.576 61.456 62.100 -0.114 0.000 1.019 463 T CB 1.019 69.842 68.868 -0.076 0.000 1.264 463 T HN 0.006 nan 8.240 nan 0.000 0.497 464 S N 0.727 116.225 115.700 -0.337 0.000 2.368 464 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 464 S C 2.533 176.868 174.600 -0.442 0.000 1.030 464 S CA 1.320 59.105 58.200 -0.692 0.000 0.999 464 S CB -0.935 61.478 63.200 -1.311 0.000 0.844 464 S HN 0.982 nan 8.310 nan 0.000 0.459 465 A N 2.341 125.034 122.820 -0.211 0.000 1.917 465 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 465 A C 2.061 179.656 177.584 0.018 0.000 1.182 465 A CA 1.930 53.942 52.037 -0.042 0.000 0.633 465 A CB -0.811 18.191 19.000 0.004 0.000 0.819 465 A HN 0.791 nan 8.150 nan 0.000 0.448 466 E N -0.809 119.398 120.200 0.012 0.000 2.265 466 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 466 E C 1.529 178.175 176.600 0.077 0.000 0.996 466 E CA 1.150 57.581 56.400 0.052 0.000 0.832 466 E CB -0.247 29.489 29.700 0.060 0.000 0.756 466 E HN 0.444 nan 8.360 nan 0.000 0.491 467 E N 1.314 121.558 120.200 0.074 0.000 2.187 467 E HA -0.159 4.190 4.350 -0.000 0.000 0.199 467 E C 1.855 178.534 176.600 0.131 0.000 1.004 467 E CA 1.031 57.510 56.400 0.132 0.000 0.813 467 E CB -0.269 29.530 29.700 0.166 0.000 0.736 467 E HN 0.463 nan 8.360 nan 0.000 0.468 468 L N -1.210 120.086 121.223 0.122 0.000 2.551 468 L HA -0.086 4.254 4.340 -0.000 0.000 0.228 468 L C 1.280 178.250 176.870 0.167 0.000 1.153 468 L CA 0.331 55.233 54.840 0.104 0.000 0.851 468 L CB 0.088 42.224 42.059 0.128 0.000 0.959 468 L HN 0.144 nan 8.230 nan 0.000 0.451 469 C N -1.746 117.650 119.300 0.160 0.000 3.115 469 C HA 0.219 4.679 4.460 -0.000 0.000 0.277 469 C C 1.774 176.815 174.990 0.086 0.000 1.460 469 C CA -0.300 58.802 59.018 0.141 0.000 1.789 469 C CB -0.475 27.311 27.740 0.077 0.000 2.674 469 C HN 0.346 nan 8.230 nan 0.000 0.582 470 S N 0.189 115.982 115.700 0.155 0.000 2.603 470 S HA 0.318 4.788 4.470 -0.000 0.000 0.232 470 S C 0.228 175.019 174.600 0.318 0.000 1.016 470 S CA -0.036 58.285 58.200 0.201 0.000 0.976 470 S CB 0.061 63.330 63.200 0.115 0.000 0.921 470 S HN 0.530 nan 8.310 nan 0.000 0.516 471 M N 2.284 122.053 119.600 0.282 0.000 2.149 471 M HA 0.423 4.902 4.480 -0.000 0.000 0.342 471 M C 0.838 177.158 176.300 0.033 0.000 1.068 471 M CA -0.281 55.123 55.300 0.172 0.000 0.991 471 M CB 1.565 34.250 32.600 0.143 0.000 1.596 471 M HN 0.165 nan 8.290 nan 0.000 0.439 472 R N -0.263 120.173 120.500 -0.106 0.000 2.492 472 R HA 0.295 4.635 4.340 -0.000 0.000 0.219 472 R C -0.195 176.141 176.300 0.060 0.000 0.886 472 R CA -0.137 55.726 56.100 -0.396 0.000 1.003 472 R CB 0.415 30.120 30.300 -0.991 0.000 1.345 472 R HN 0.405 nan 8.270 nan 0.000 0.631 473 T N 3.908 118.520 114.554 0.097 0.000 2.772 473 T HA 0.392 4.742 4.350 -0.000 0.000 0.288 473 T C -2.691 171.882 174.700 -0.211 0.000 0.994 473 T CA -1.695 60.406 62.100 0.002 0.000 0.951 473 T CB 2.048 70.894 68.868 -0.038 0.000 0.933 473 T HN -0.065 nan 8.240 nan 0.000 0.447 474 P HA 0.136 nan 4.420 nan 0.000 0.264 474 P C 0.493 177.391 177.300 -0.671 0.000 1.183 474 P CA 0.103 62.480 63.100 -1.205 0.000 0.763 474 P CB 0.534 31.384 31.700 -1.418 0.000 0.807 475 S N 1.738 117.084 115.700 -0.591 0.000 2.406 475 S HA -0.003 4.467 4.470 -0.000 0.000 0.228 475 S C 0.338 174.826 174.600 -0.186 0.000 1.020 475 S CA 1.072 59.102 58.200 -0.282 0.000 0.965 475 S CB -0.640 62.475 63.200 -0.141 0.000 0.798 475 S HN 0.708 nan 8.310 nan 0.000 0.488 476 Y N -3.043 116.942 120.300 -0.525 0.000 2.891 476 Y HA 0.626 5.176 4.550 -0.000 0.000 0.361 476 Y C -1.590 173.889 175.900 -0.701 0.000 1.255 476 Y CA -2.150 55.666 58.100 -0.475 0.000 1.103 476 Y CB 0.424 38.731 38.460 -0.254 0.000 1.454 476 Y HN -0.091 nan 8.280 nan 0.000 0.449 477 Y N -0.798 119.509 120.300 0.012 0.000 2.665 477 Y HA 0.716 5.266 4.550 -0.000 0.000 0.336 477 Y C -1.426 174.453 175.900 -0.034 0.000 1.085 477 Y CA -1.546 56.529 58.100 -0.041 0.000 1.096 477 Y CB 2.123 40.525 38.460 -0.098 0.000 1.301 477 Y HN 0.591 nan 8.280 nan 0.000 0.493 478 Y N 0.132 120.585 120.300 0.256 0.000 2.361 478 Y HA 0.629 5.179 4.550 -0.000 0.000 0.337 478 Y C -0.965 175.028 175.900 0.155 0.000 0.965 478 Y CA -1.121 57.089 58.100 0.183 0.000 1.091 478 Y CB 1.991 40.543 38.460 0.153 0.000 1.182 478 Y HN 0.164 nan 8.280 nan 0.000 0.450 479 V N 3.982 124.030 119.914 0.224 0.000 2.376 479 V HA 0.262 4.381 4.120 -0.000 0.000 0.287 479 V C -0.295 175.879 176.094 0.134 0.000 1.015 479 V CA -1.726 60.661 62.300 0.145 0.000 0.834 479 V CB 1.271 33.130 31.823 0.059 0.000 1.001 479 V HN 0.779 nan 8.190 nan 0.000 0.428 480 K N 4.098 124.578 120.400 0.134 0.000 3.311 480 K HA -0.263 4.056 4.320 -0.000 0.000 0.270 480 K C 1.251 177.923 176.600 0.119 0.000 0.927 480 K CA 0.767 57.119 56.287 0.108 0.000 0.706 480 K CB -1.300 31.244 32.500 0.072 0.000 1.418 480 K HN 1.513 nan 8.250 nan 0.000 0.459 481 G N -0.178 108.724 108.800 0.169 0.000 2.304 481 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.252 481 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.252 481 G C -0.057 175.001 174.900 0.264 0.000 1.014 481 G CA 0.485 45.696 45.100 0.185 0.000 0.619 481 G HN 0.530 nan 8.290 nan 0.000 0.525 482 E N 1.192 121.509 120.200 0.195 0.000 2.194 482 E HA 0.404 4.754 4.350 -0.000 0.000 0.284 482 E C 0.529 177.164 176.600 0.058 0.000 1.035 482 E CA -0.626 55.848 56.400 0.123 0.000 0.836 482 E CB 0.370 30.104 29.700 0.056 0.000 1.070 482 E HN 0.348 nan 8.360 nan 0.000 0.401 483 K N 5.554 125.884 120.400 -0.116 0.000 2.382 483 K HA 0.138 4.458 4.320 -0.000 0.000 0.275 483 K C -0.340 176.109 176.600 -0.252 0.000 1.009 483 K CA 0.169 56.132 56.287 -0.540 0.000 0.970 483 K CB 0.411 32.520 32.500 -0.652 0.000 0.934 483 K HN 0.594 nan 8.250 nan 0.000 0.479 484 M N 1.699 121.186 119.600 -0.189 0.000 2.490 484 M HA 0.145 4.625 4.480 -0.000 0.000 0.286 484 M C -0.050 176.272 176.300 0.037 0.000 1.185 484 M CA -0.789 54.467 55.300 -0.073 0.000 0.912 484 M CB 1.740 34.320 32.600 -0.034 0.000 1.744 484 M HN 0.735 nan 8.290 nan 0.000 0.494 485 E N 2.014 122.225 120.200 0.018 0.000 2.072 485 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 485 E C -0.326 176.384 176.600 0.183 0.000 0.985 485 E CA 1.429 57.879 56.400 0.084 0.000 0.801 485 E CB 0.503 30.213 29.700 0.017 0.000 0.750 485 E HN 0.665 nan 8.360 nan 0.000 0.452 486 K N 0.067 120.530 120.400 0.105 0.000 2.267 486 K HA 0.418 4.738 4.320 -0.000 0.000 0.246 486 K C -0.853 175.684 176.600 -0.104 0.000 0.954 486 K CA -0.540 55.781 56.287 0.056 0.000 0.824 486 K CB 2.045 34.553 32.500 0.013 0.000 1.167 486 K HN -0.040 nan 8.250 nan 0.000 0.431 487 L N 4.065 125.105 121.223 -0.305 0.000 2.397 487 L HA 0.330 4.670 4.340 -0.000 0.000 0.271 487 L C -1.329 175.441 176.870 -0.167 0.000 1.148 487 L CA -1.513 53.107 54.840 -0.367 0.000 0.825 487 L CB 0.191 41.940 42.059 -0.516 0.000 1.117 487 L HN 0.636 nan 8.230 nan 0.000 0.456 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.058 63.100 -0.070 0.000 0.800 488 P CB 0.000 31.669 31.700 -0.051 0.000 0.726