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 1upb_1_D DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXXNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.306 177.300 0.010 0.000 1.155 12 P CA 0.000 63.060 63.100 -0.067 0.000 0.800 12 P CB 0.000 31.638 31.700 -0.104 0.000 0.726 13 T N -2.260 112.318 114.554 0.039 0.000 2.889 13 T HA 0.723 5.073 4.350 0.000 0.000 0.278 13 T C 1.254 175.996 174.700 0.070 0.000 0.995 13 T CA -0.145 61.980 62.100 0.043 0.000 0.966 13 T CB 1.373 70.251 68.868 0.015 0.000 1.237 13 T HN 0.186 nan 8.240 nan 0.000 0.591 14 A N -0.008 122.844 122.820 0.052 0.000 2.076 14 A HA 0.207 4.527 4.320 0.000 0.000 0.220 14 A C 2.496 180.103 177.584 0.038 0.000 1.160 14 A CA 1.808 53.875 52.037 0.050 0.000 0.653 14 A CB -1.570 17.457 19.000 0.045 0.000 0.801 14 A HN 1.186 nan 8.150 nan 0.000 0.455 15 A N -0.685 122.148 122.820 0.021 0.000 1.877 15 A HA -0.173 4.147 4.320 0.000 0.000 0.216 15 A C 2.023 179.591 177.584 -0.026 0.000 1.186 15 A CA 2.046 54.063 52.037 -0.032 0.000 0.620 15 A CB -0.861 18.076 19.000 -0.104 0.000 0.822 15 A HN 0.758 nan 8.150 nan 0.000 0.443 16 H N -0.088 118.946 119.070 -0.060 0.000 2.321 16 H HA 0.058 4.614 4.556 0.000 0.000 0.300 16 H C 2.137 177.458 175.328 -0.012 0.000 1.087 16 H CA 1.955 57.977 56.048 -0.043 0.000 1.319 16 H CB -0.282 29.459 29.762 -0.035 0.000 1.379 16 H HN 0.376 nan 8.280 nan 0.000 0.501 17 A N 0.562 123.357 122.820 -0.042 0.000 1.933 17 A HA -0.107 4.213 4.320 0.000 0.000 0.218 17 A C 2.378 179.922 177.584 -0.068 0.000 1.175 17 A CA 1.576 53.571 52.037 -0.070 0.000 0.628 17 A CB -0.876 18.136 19.000 0.021 0.000 0.814 17 A HN 0.500 nan 8.150 nan 0.000 0.444 18 L N -0.198 121.012 121.223 -0.021 0.000 1.988 18 L HA -0.072 4.268 4.340 0.000 0.000 0.207 18 L C 2.263 179.147 176.870 0.024 0.000 1.071 18 L CA 1.804 56.662 54.840 0.031 0.000 0.744 18 L CB -0.697 41.417 42.059 0.092 0.000 0.893 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -0.762 120.452 121.223 -0.016 0.000 2.079 19 L HA -0.213 4.127 4.340 0.000 0.000 0.210 19 L C 2.750 179.583 176.870 -0.062 0.000 1.081 19 L CA 1.561 56.396 54.840 -0.009 0.000 0.752 19 L CB -0.817 41.222 42.059 -0.035 0.000 0.896 19 L HN 0.458 nan 8.230 nan 0.000 0.433 20 S N -0.339 115.252 115.700 -0.182 0.000 2.383 20 S HA -0.198 4.272 4.470 0.000 0.000 0.227 20 S C 2.170 176.714 174.600 -0.094 0.000 1.026 20 S CA 1.158 59.238 58.200 -0.200 0.000 0.981 20 S CB -0.069 62.899 63.200 -0.387 0.000 0.818 20 S HN 0.237 nan 8.310 nan 0.000 0.472 21 R N 1.077 121.545 120.500 -0.053 0.000 2.090 21 R HA 0.238 4.578 4.340 0.000 0.000 0.228 21 R C 2.157 178.504 176.300 0.078 0.000 1.110 21 R CA 1.181 57.279 56.100 -0.004 0.000 0.973 21 R CB -0.986 29.336 30.300 0.037 0.000 0.869 21 R HN 0.486 nan 8.270 nan 0.000 0.440 22 L N -0.271 121.012 121.223 0.099 0.000 2.042 22 L HA -0.197 4.143 4.340 0.000 0.000 0.210 22 L C 2.922 179.849 176.870 0.095 0.000 1.076 22 L CA 2.024 56.946 54.840 0.136 0.000 0.749 22 L CB -0.720 41.414 42.059 0.125 0.000 0.893 22 L HN 0.282 nan 8.230 nan 0.000 0.432 23 R N 0.069 120.591 120.500 0.036 0.000 2.096 23 R HA -0.196 4.144 4.340 0.000 0.000 0.235 23 R C 1.755 178.049 176.300 -0.011 0.000 1.127 23 R CA 2.015 58.122 56.100 0.012 0.000 0.968 23 R CB -1.523 28.772 30.300 -0.010 0.000 0.861 23 R HN 0.385 nan 8.270 nan 0.000 0.440 24 D N -0.004 120.360 120.400 -0.058 0.000 2.178 24 D HA -0.104 4.536 4.640 0.000 0.000 0.201 24 D C 1.120 177.315 176.300 -0.175 0.000 0.980 24 D CA 1.054 54.969 54.000 -0.141 0.000 0.842 24 D CB -0.218 40.439 40.800 -0.237 0.000 0.948 24 D HN 0.650 nan 8.370 nan 0.000 0.472 25 H N -0.876 118.196 119.070 0.002 0.000 2.536 25 H HA 0.274 4.830 4.556 0.000 0.000 0.276 25 H C 1.465 176.799 175.328 0.011 0.000 1.019 25 H CA 0.784 56.836 56.048 0.005 0.000 1.159 25 H CB 0.540 30.305 29.762 0.005 0.000 1.373 25 H HN 0.222 nan 8.280 nan 0.000 0.584 26 G N 0.586 109.438 108.800 0.088 0.000 2.176 26 G HA2 -0.282 3.678 3.960 0.000 0.000 0.232 26 G HA3 -0.282 3.678 3.960 0.000 0.000 0.232 26 G C 0.314 175.249 174.900 0.057 0.000 0.986 26 G CA 0.226 45.362 45.100 0.061 0.000 0.643 26 G HN 0.220 nan 8.290 nan 0.000 0.522 27 V N 1.099 121.056 119.914 0.071 0.000 2.521 27 V HA 0.521 4.641 4.120 0.000 0.000 0.286 27 V C 1.574 177.687 176.094 0.032 0.000 1.034 27 V CA 1.256 63.591 62.300 0.059 0.000 1.045 27 V CB 1.284 33.155 31.823 0.080 0.000 0.974 27 V HN 0.648 nan 8.190 nan 0.000 0.480 28 G N 4.591 113.396 108.800 0.009 0.000 2.944 28 G HA2 0.181 4.141 3.960 0.000 0.000 0.223 28 G HA3 0.181 4.141 3.960 0.000 0.000 0.223 28 G C 0.445 175.301 174.900 -0.074 0.000 1.071 28 G CA -0.118 44.971 45.100 -0.018 0.000 0.806 28 G HN 0.489 nan 8.290 nan 0.000 0.538 29 K N 0.513 120.842 120.400 -0.119 0.000 2.422 29 K HA 0.639 4.959 4.320 0.000 0.000 0.251 29 K C -1.533 174.886 176.600 -0.302 0.000 0.933 29 K CA -0.660 55.438 56.287 -0.316 0.000 0.798 29 K CB 2.967 35.127 32.500 -0.568 0.000 1.238 29 K HN -0.130 nan 8.250 nan 0.000 0.428 30 V N 3.473 123.132 119.914 -0.425 0.000 2.409 30 V HA 0.393 4.513 4.120 0.000 0.000 0.290 30 V C -0.797 174.827 176.094 -0.782 0.000 1.017 30 V CA -0.846 61.248 62.300 -0.343 0.000 0.841 30 V CB 0.575 32.344 31.823 -0.089 0.000 1.003 30 V HN 0.527 nan 8.190 nan 0.000 0.426 31 F N 3.057 122.767 119.950 -0.401 0.000 2.396 31 F HA 0.823 5.350 4.527 0.000 0.000 0.343 31 F C 1.048 176.599 175.800 -0.416 0.000 1.104 31 F CA 0.446 58.162 58.000 -0.473 0.000 1.161 31 F CB 1.665 40.520 39.000 -0.242 0.000 1.146 31 F HN 0.691 nan 8.300 nan 0.000 0.522 32 G N 0.836 109.453 108.800 -0.305 0.000 2.321 32 G HA2 0.457 4.417 3.960 0.000 0.000 0.296 32 G HA3 0.457 4.417 3.960 0.000 0.000 0.296 32 G C -2.378 172.729 174.900 0.344 0.000 1.287 32 G CA -0.814 44.368 45.100 0.137 0.000 0.846 32 G HN 0.472 nan 8.290 nan 0.000 0.508 33 V N 0.097 120.276 119.914 0.441 0.000 2.540 33 V HA 0.621 4.741 4.120 0.000 0.000 0.302 33 V C 0.053 176.375 176.094 0.380 0.000 1.035 33 V CA -0.746 61.764 62.300 0.349 0.000 0.873 33 V CB 1.508 33.447 31.823 0.194 0.000 0.992 33 V HN 0.725 nan 8.190 nan 0.000 0.428 34 V N 3.910 123.932 119.914 0.180 0.000 2.481 34 V HA 0.759 4.879 4.120 0.000 0.000 0.286 34 V C 0.880 177.057 176.094 0.138 0.000 1.042 34 V CA 0.295 62.669 62.300 0.122 0.000 0.928 34 V CB 1.230 32.924 31.823 -0.215 0.000 0.986 34 V HN 0.990 nan 8.190 nan 0.000 0.462 35 G N 3.522 112.443 108.800 0.201 0.000 2.890 35 G HA2 0.327 4.287 3.960 0.000 0.000 0.189 35 G HA3 0.327 4.287 3.960 0.000 0.000 0.189 35 G C 0.783 175.752 174.900 0.116 0.000 1.342 35 G CA -0.299 44.882 45.100 0.135 0.000 1.026 35 G HN 0.747 nan 8.290 nan 0.000 0.579 36 R N 0.013 120.572 120.500 0.099 0.000 2.285 36 R HA -0.012 4.328 4.340 0.000 0.000 0.213 36 R C 1.581 177.934 176.300 0.088 0.000 1.068 36 R CA 1.655 57.804 56.100 0.081 0.000 1.004 36 R CB -0.226 30.121 30.300 0.077 0.000 0.873 36 R HN 0.547 nan 8.270 nan 0.000 0.467 37 E N 1.595 121.874 120.200 0.132 0.000 2.463 37 E HA -0.142 4.208 4.350 0.000 0.000 0.201 37 E C 1.485 178.143 176.600 0.097 0.000 1.045 37 E CA 1.093 57.583 56.400 0.150 0.000 0.872 37 E CB -0.052 29.812 29.700 0.274 0.000 0.797 37 E HN 0.487 nan 8.360 nan 0.000 0.538 38 A N 1.787 124.646 122.820 0.065 0.000 1.978 38 A HA -0.029 4.291 4.320 0.000 0.000 0.220 38 A C 2.490 180.058 177.584 -0.028 0.000 1.170 38 A CA 1.874 53.906 52.037 -0.007 0.000 0.636 38 A CB -0.658 18.337 19.000 -0.009 0.000 0.810 38 A HN 0.436 nan 8.150 nan 0.000 0.448 39 A N -1.172 121.649 122.820 0.001 0.000 2.070 39 A HA 0.003 4.323 4.320 0.000 0.000 0.220 39 A C 2.222 179.796 177.584 -0.017 0.000 1.159 39 A CA 1.943 53.977 52.037 -0.004 0.000 0.656 39 A CB -0.372 18.637 19.000 0.015 0.000 0.800 39 A HN 0.432 nan 8.150 nan 0.000 0.453 40 S N -1.981 113.708 115.700 -0.019 0.000 2.506 40 S HA 0.391 4.861 4.470 0.000 0.000 0.219 40 S C 0.263 174.801 174.600 -0.102 0.000 1.031 40 S CA -0.007 58.174 58.200 -0.031 0.000 0.911 40 S CB 0.156 63.364 63.200 0.014 0.000 0.812 40 S HN 0.513 nan 8.310 nan 0.000 0.497 41 I N 0.950 121.408 120.570 -0.185 0.000 2.548 41 I HA 0.325 4.495 4.170 0.000 0.000 0.287 41 I C -0.082 175.757 176.117 -0.463 0.000 1.103 41 I CA -0.529 60.520 61.300 -0.419 0.000 1.049 41 I CB 1.259 38.848 38.000 -0.685 0.000 1.232 41 I HN 0.019 nan 8.210 nan 0.000 0.429 42 L N 6.934 127.937 121.223 -0.366 0.000 2.162 42 L HA 0.171 4.511 4.340 0.000 0.000 0.205 42 L C 0.401 177.202 176.870 -0.116 0.000 1.086 42 L CA 0.968 55.686 54.840 -0.204 0.000 0.778 42 L CB -0.058 41.931 42.059 -0.116 0.000 0.928 42 L HN 0.840 nan 8.230 nan 0.000 0.446 43 F N -0.505 119.316 119.950 -0.216 0.000 2.681 43 F HA -0.213 4.314 4.527 0.000 0.000 0.299 43 F C 0.644 176.394 175.800 -0.083 0.000 0.676 43 F CA 0.589 58.483 58.000 -0.178 0.000 1.496 43 F CB -1.868 36.980 39.000 -0.253 0.000 1.827 43 F HN 0.352 nan 8.300 nan 0.000 0.328 44 D N -0.746 119.669 120.400 0.025 0.000 2.462 44 D HA 0.176 4.816 4.640 0.000 0.000 0.221 44 D C 1.182 177.494 176.300 0.019 0.000 1.173 44 D CA 0.195 54.212 54.000 0.028 0.000 0.831 44 D CB -0.009 40.799 40.800 0.012 0.000 1.001 44 D HN 0.323 nan 8.370 nan 0.000 0.499 45 E N -0.297 119.909 120.200 0.009 0.000 2.274 45 E HA 0.072 4.422 4.350 0.000 0.000 0.194 45 E C -0.006 176.692 176.600 0.163 0.000 0.996 45 E CA 0.588 57.030 56.400 0.071 0.000 0.840 45 E CB 0.504 30.252 29.700 0.079 0.000 0.772 45 E HN 0.110 nan 8.360 nan 0.000 0.491 46 V N 1.103 121.074 119.914 0.094 0.000 2.482 46 V HA 0.373 4.493 4.120 0.000 0.000 0.295 46 V C -0.193 175.932 176.094 0.052 0.000 1.026 46 V CA -0.599 61.749 62.300 0.080 0.000 0.856 46 V CB 1.157 32.980 31.823 0.001 0.000 1.001 46 V HN 0.162 nan 8.190 nan 0.000 0.424 47 E N 2.153 122.383 120.200 0.049 0.000 2.384 47 E HA 0.464 4.814 4.350 0.000 0.000 0.266 47 E C 1.343 177.957 176.600 0.023 0.000 1.012 47 E CA 0.417 56.836 56.400 0.032 0.000 0.901 47 E CB 0.629 30.346 29.700 0.027 0.000 0.967 47 E HN 2.155 nan 8.360 nan 0.000 0.435 48 G N 0.908 109.718 108.800 0.017 0.000 2.179 48 G HA2 -0.163 3.797 3.960 0.000 0.000 0.220 48 G HA3 -0.163 3.797 3.960 0.000 0.000 0.220 48 G C 0.268 175.172 174.900 0.007 0.000 0.990 48 G CA 0.080 45.186 45.100 0.010 0.000 0.646 48 G HN 0.794 nan 8.290 nan 0.000 0.517 49 I N 2.105 122.685 120.570 0.017 0.000 2.439 49 I HA 0.315 4.485 4.170 0.000 0.000 0.285 49 I C -1.205 174.926 176.117 0.024 0.000 1.021 49 I CA -0.617 60.694 61.300 0.019 0.000 1.091 49 I CB 1.558 39.588 38.000 0.049 0.000 1.242 49 I HN -0.012 nan 8.210 nan 0.000 0.439 50 D N 6.293 126.676 120.400 -0.029 0.000 2.185 50 D HA 0.283 4.923 4.640 0.000 0.000 0.247 50 D C -0.585 175.657 176.300 -0.097 0.000 1.027 50 D CA -0.241 53.738 54.000 -0.036 0.000 0.861 50 D CB 2.522 43.277 40.800 -0.076 0.000 1.202 50 D HN 0.172 nan 8.370 nan 0.000 0.453 51 F N 1.364 121.188 119.950 -0.210 0.000 2.399 51 F HA 0.229 4.756 4.527 0.000 0.000 0.342 51 F C -0.143 175.475 175.800 -0.303 0.000 1.106 51 F CA -0.280 57.502 58.000 -0.363 0.000 1.196 51 F CB 0.885 39.581 39.000 -0.507 0.000 1.163 51 F HN -0.017 nan 8.300 nan 0.000 0.547 52 V N 7.705 127.093 119.914 -0.877 0.000 2.325 52 V HA 0.214 4.334 4.120 0.000 0.000 0.280 52 V C -0.639 175.181 176.094 -0.457 0.000 1.016 52 V CA -0.847 61.132 62.300 -0.536 0.000 0.818 52 V CB 1.004 32.427 31.823 -0.666 0.000 1.019 52 V HN 0.587 nan 8.190 nan 0.000 0.434 53 L N 6.305 127.476 121.223 -0.087 0.000 2.360 53 L HA 0.626 4.966 4.340 0.000 0.000 0.276 53 L C 0.733 177.636 176.870 0.055 0.000 1.121 53 L CA 0.948 55.848 54.840 0.100 0.000 0.845 53 L CB 1.273 43.447 42.059 0.192 0.000 1.143 53 L HN 0.862 nan 8.230 nan 0.000 0.452 54 T N 1.886 116.487 114.554 0.078 0.000 2.938 54 T HA 0.531 4.881 4.350 0.000 0.000 0.285 54 T C 0.960 175.710 174.700 0.085 0.000 1.028 54 T CA -0.786 61.358 62.100 0.073 0.000 1.005 54 T CB 1.307 70.217 68.868 0.070 0.000 1.157 54 T HN 0.508 nan 8.240 nan 0.000 0.550 55 R N -0.365 120.182 120.500 0.078 0.000 2.210 55 R HA 0.236 4.576 4.340 0.000 0.000 0.203 55 R C 0.370 176.725 176.300 0.092 0.000 1.010 55 R CA 0.567 56.710 56.100 0.072 0.000 1.008 55 R CB -0.632 29.703 30.300 0.057 0.000 0.923 55 R HN 0.747 nan 8.270 nan 0.000 0.469 56 H N -0.380 118.721 119.070 0.053 0.000 2.894 56 H HA 0.196 4.753 4.556 0.000 0.000 0.367 56 H C -0.050 175.337 175.328 0.098 0.000 1.144 56 H CA -0.340 55.755 56.048 0.078 0.000 1.180 56 H CB 1.903 31.717 29.762 0.088 0.000 1.758 56 H HN -0.219 nan 8.280 nan 0.000 0.541 57 E N 2.770 123.170 120.200 0.333 0.000 2.204 57 E HA -0.112 4.238 4.350 0.000 0.000 0.195 57 E C 1.523 178.312 176.600 0.315 0.000 0.990 57 E CA 0.964 57.537 56.400 0.288 0.000 0.821 57 E CB -0.046 29.781 29.700 0.211 0.000 0.750 57 E HN 0.467 nan 8.360 nan 0.000 0.477 58 F N 1.262 121.380 119.950 0.280 0.000 2.134 58 F HA -0.214 4.313 4.527 0.000 0.000 0.299 58 F C 1.992 177.788 175.800 -0.007 0.000 1.097 58 F CA 1.638 59.667 58.000 0.048 0.000 1.264 58 F CB -0.689 38.232 39.000 -0.132 0.000 1.001 58 F HN -0.099 nan 8.300 nan 0.000 0.479 59 T N 0.965 115.430 114.554 -0.148 0.000 2.720 59 T HA -0.219 4.131 4.350 0.000 0.000 0.268 59 T C 2.236 176.765 174.700 -0.286 0.000 1.037 59 T CA 1.596 63.517 62.100 -0.299 0.000 1.144 59 T CB -0.923 67.891 68.868 -0.089 0.000 0.864 59 T HN 0.413 nan 8.240 nan 0.000 0.444 60 A N 1.383 124.136 122.820 -0.112 0.000 1.877 60 A HA 0.087 4.408 4.320 0.000 0.000 0.216 60 A C 2.662 180.138 177.584 -0.181 0.000 1.186 60 A CA 1.932 53.924 52.037 -0.075 0.000 0.620 60 A CB -1.397 17.651 19.000 0.079 0.000 0.822 60 A HN 0.518 nan 8.150 nan 0.000 0.443 61 G N -0.829 107.893 108.800 -0.131 0.000 2.418 61 G HA2 -0.075 3.885 3.960 0.000 0.000 0.217 61 G HA3 -0.075 3.885 3.960 0.000 0.000 0.217 61 G C 1.485 176.239 174.900 -0.243 0.000 1.158 61 G CA 1.231 46.259 45.100 -0.121 0.000 0.771 61 G HN 0.329 nan 8.290 nan 0.000 0.545 62 V N 1.378 121.046 119.914 -0.410 0.000 2.453 62 V HA -0.048 4.072 4.120 0.000 0.000 0.247 62 V C 3.281 179.087 176.094 -0.480 0.000 1.048 62 V CA 1.794 63.827 62.300 -0.446 0.000 1.049 62 V CB -0.630 30.779 31.823 -0.688 0.000 0.672 62 V HN 0.461 nan 8.190 nan 0.000 0.457 63 A N 0.193 122.648 122.820 -0.608 0.000 1.902 63 A HA -0.124 4.196 4.320 0.000 0.000 0.217 63 A C 2.435 179.522 177.584 -0.829 0.000 1.181 63 A CA 2.076 53.635 52.037 -0.797 0.000 0.623 63 A CB -0.765 17.552 19.000 -1.137 0.000 0.818 63 A HN 0.553 nan 8.150 nan 0.000 0.443 64 A N 0.091 122.469 122.820 -0.737 0.000 1.902 64 A HA -0.238 4.082 4.320 0.000 0.000 0.217 64 A C 1.972 179.439 177.584 -0.196 0.000 1.181 64 A CA 1.925 53.763 52.037 -0.333 0.000 0.623 64 A CB -0.676 18.271 19.000 -0.089 0.000 0.818 64 A HN 0.675 nan 8.150 nan 0.000 0.443 65 D N -0.108 120.172 120.400 -0.200 0.000 2.104 65 D HA -0.135 4.505 4.640 0.000 0.000 0.194 65 D C 1.881 178.089 176.300 -0.153 0.000 0.994 65 D CA 1.967 55.888 54.000 -0.132 0.000 0.830 65 D CB -0.021 40.721 40.800 -0.095 0.000 0.959 65 D HN 0.227 nan 8.370 nan 0.000 0.452 66 V N 0.971 120.757 119.914 -0.213 0.000 2.407 66 V HA -0.175 3.945 4.120 0.000 0.000 0.245 66 V C 2.617 178.605 176.094 -0.177 0.000 1.041 66 V CA 0.943 63.117 62.300 -0.210 0.000 1.040 66 V CB -0.430 31.239 31.823 -0.255 0.000 0.671 66 V HN 0.205 nan 8.190 nan 0.000 0.455 67 L N 1.133 122.258 121.223 -0.164 0.000 2.042 67 L HA -0.135 4.205 4.340 0.000 0.000 0.210 67 L C 2.448 179.291 176.870 -0.044 0.000 1.076 67 L CA 2.458 57.255 54.840 -0.072 0.000 0.749 67 L CB -0.927 41.130 42.059 -0.005 0.000 0.893 67 L HN 0.238 nan 8.230 nan 0.000 0.432 68 A N -0.488 122.299 122.820 -0.055 0.000 1.933 68 A HA -0.252 4.068 4.320 0.000 0.000 0.218 68 A C 2.531 180.081 177.584 -0.056 0.000 1.175 68 A CA 1.785 53.802 52.037 -0.034 0.000 0.628 68 A CB -0.645 18.337 19.000 -0.031 0.000 0.814 68 A HN 0.538 nan 8.150 nan 0.000 0.444 69 R N -0.273 120.152 120.500 -0.126 0.000 2.075 69 R HA -0.048 4.292 4.340 0.000 0.000 0.232 69 R C 1.862 178.060 176.300 -0.169 0.000 1.126 69 R CA 1.810 57.779 56.100 -0.218 0.000 0.963 69 R CB -0.357 29.693 30.300 -0.415 0.000 0.858 69 R HN 0.532 nan 8.270 nan 0.000 0.435 70 I N 0.405 120.902 120.570 -0.123 0.000 2.277 70 I HA -0.187 3.983 4.170 0.000 0.000 0.243 70 I C 2.357 178.523 176.117 0.081 0.000 1.094 70 I CA 1.595 62.909 61.300 0.022 0.000 1.393 70 I CB -0.382 37.624 38.000 0.010 0.000 1.078 70 I HN 0.376 nan 8.210 nan 0.000 0.417 71 T N -1.532 113.047 114.554 0.042 0.000 2.995 71 T HA 0.050 4.400 4.350 0.000 0.000 0.269 71 T C 1.716 176.451 174.700 0.058 0.000 1.091 71 T CA 0.683 62.813 62.100 0.051 0.000 1.128 71 T CB -0.289 68.603 68.868 0.040 0.000 0.891 71 T HN 0.549 nan 8.240 nan 0.000 0.492 72 G N 1.651 110.484 108.800 0.056 0.000 2.168 72 G HA2 -0.275 3.685 3.960 0.000 0.000 0.257 72 G HA3 -0.275 3.685 3.960 0.000 0.000 0.257 72 G C 0.082 175.006 174.900 0.039 0.000 0.997 72 G CA 0.266 45.400 45.100 0.057 0.000 0.708 72 G HN 0.736 nan 8.290 nan 0.000 0.520 73 R N -0.241 120.279 120.500 0.034 0.000 2.803 73 R HA 0.497 4.837 4.340 0.000 0.000 0.276 73 R C -2.845 173.471 176.300 0.026 0.000 0.978 73 R CA -2.256 53.865 56.100 0.034 0.000 0.939 73 R CB 1.646 31.972 30.300 0.043 0.000 1.179 73 R HN -0.013 nan 8.270 nan 0.000 0.472 74 P HA -0.012 nan 4.420 nan 0.000 0.265 74 P C -0.788 176.536 177.300 0.040 0.000 1.193 74 P CA 0.160 63.267 63.100 0.012 0.000 0.765 74 P CB 0.697 32.382 31.700 -0.024 0.000 0.823 75 Q N 1.122 120.951 119.800 0.048 0.000 2.572 75 Q HA 0.848 5.188 4.340 0.000 0.000 0.284 75 Q C -0.817 175.247 176.000 0.106 0.000 1.091 75 Q CA -0.951 54.906 55.803 0.089 0.000 0.840 75 Q CB 2.292 31.089 28.738 0.098 0.000 1.433 75 Q HN 0.424 nan 8.270 nan 0.000 0.471 76 A N 0.141 123.058 122.820 0.161 0.000 2.449 76 A HA 0.792 5.112 4.320 0.000 0.000 0.302 76 A C -0.560 177.161 177.584 0.228 0.000 1.048 76 A CA -0.526 51.616 52.037 0.176 0.000 0.708 76 A CB 0.733 19.840 19.000 0.179 0.000 1.274 76 A HN 0.832 nan 8.150 nan 0.000 0.410 77 C N -0.315 119.116 119.300 0.219 0.000 3.044 77 C HA 0.979 5.440 4.460 0.000 0.000 0.315 77 C C -1.024 174.159 174.990 0.322 0.000 1.320 77 C CA -0.949 58.214 59.018 0.241 0.000 1.582 77 C CB 1.431 29.266 27.740 0.159 0.000 2.039 77 C HN 1.074 nan 8.230 nan 0.000 0.466 78 W N 1.040 122.424 121.300 0.139 0.000 3.274 78 W HA 0.647 5.307 4.660 0.000 0.000 0.327 78 W C -1.063 175.581 176.519 0.208 0.000 1.172 78 W CA -0.010 57.461 57.345 0.210 0.000 1.217 78 W CB 2.186 31.833 29.460 0.312 0.000 1.376 78 W HN 1.316 nan 8.180 nan 0.000 0.507 79 A N 2.481 125.227 122.820 -0.124 0.000 2.594 79 A HA 0.614 4.934 4.320 0.000 0.000 0.291 79 A C -0.761 176.798 177.584 -0.042 0.000 1.105 79 A CA -0.426 51.658 52.037 0.077 0.000 0.694 79 A CB 1.814 20.860 19.000 0.076 0.000 1.291 79 A HN 0.450 nan 8.150 nan 0.000 0.410 80 T N 0.080 114.704 114.554 0.117 0.000 2.771 80 T HA 0.509 4.859 4.350 0.000 0.000 0.290 80 T C 0.640 175.357 174.700 0.029 0.000 1.005 80 T CA 0.002 62.164 62.100 0.102 0.000 0.944 80 T CB -0.107 68.838 68.868 0.128 0.000 1.147 80 T HN 1.145 nan 8.240 nan 0.000 0.534 81 L N 0.118 121.354 121.223 0.022 0.000 2.476 81 L HA 0.584 4.924 4.340 0.000 0.000 0.264 81 L C 1.311 178.173 176.870 -0.014 0.000 1.224 81 L CA -0.082 54.758 54.840 0.000 0.000 0.821 81 L CB -0.854 41.198 42.059 -0.011 0.000 1.101 81 L HN 0.931 nan 8.230 nan 0.000 0.488 82 G N 1.600 110.390 108.800 -0.018 0.000 2.620 82 G HA2 -0.325 3.635 3.960 0.000 0.000 0.315 82 G HA3 -0.325 3.635 3.960 0.000 0.000 0.315 82 G C -1.095 173.792 174.900 -0.020 0.000 1.179 82 G CA 0.384 45.465 45.100 -0.032 0.000 0.971 82 G HN 0.769 nan 8.290 nan 0.000 0.544 83 P HA 0.006 nan 4.420 nan 0.000 0.221 83 P C 1.997 179.298 177.300 0.002 0.000 1.150 83 P CA 2.381 65.474 63.100 -0.011 0.000 0.800 83 P CB -0.694 30.997 31.700 -0.016 0.000 0.787 84 G N 1.040 109.845 108.800 0.008 0.000 2.491 84 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 84 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 84 G C 1.564 176.489 174.900 0.041 0.000 1.180 84 G CA 1.237 46.356 45.100 0.032 0.000 0.774 84 G HN 0.175 nan 8.290 nan 0.000 0.562 85 M N 1.909 121.526 119.600 0.028 0.000 2.117 85 M HA -0.103 4.377 4.480 0.000 0.000 0.262 85 M C 2.723 179.014 176.300 -0.015 0.000 1.065 85 M CA 2.528 57.839 55.300 0.019 0.000 1.114 85 M CB -1.189 31.427 32.600 0.027 0.000 1.361 85 M HN 0.404 nan 8.290 nan 0.000 0.408 86 T N -1.069 113.479 114.554 -0.010 0.000 2.821 86 T HA -0.088 4.262 4.350 0.000 0.000 0.267 86 T C 1.586 176.308 174.700 0.038 0.000 1.046 86 T CA 1.513 63.607 62.100 -0.010 0.000 1.139 86 T CB -0.615 68.246 68.868 -0.011 0.000 0.871 86 T HN 0.325 nan 8.240 nan 0.000 0.454 87 N N 1.364 120.111 118.700 0.079 0.000 2.142 87 N HA 0.079 4.819 4.740 0.000 0.000 0.186 87 N C 1.877 177.513 175.510 0.211 0.000 1.023 87 N CA 0.738 53.901 53.050 0.189 0.000 0.852 87 N CB -0.681 37.920 38.487 0.189 0.000 0.998 87 N HN 0.317 nan 8.380 nan 0.000 0.424 88 L N 1.201 122.511 121.223 0.146 0.000 2.127 88 L HA -0.182 4.158 4.340 0.000 0.000 0.211 88 L C 2.044 178.977 176.870 0.103 0.000 1.089 88 L CA 1.416 56.338 54.840 0.137 0.000 0.757 88 L CB -0.461 41.657 42.059 0.100 0.000 0.899 88 L HN 0.284 nan 8.230 nan 0.000 0.434 89 S N -2.333 113.393 115.700 0.043 0.000 2.442 89 S HA -0.163 4.307 4.470 0.000 0.000 0.236 89 S C 1.702 176.327 174.600 0.041 0.000 1.007 89 S CA 1.483 59.677 58.200 -0.010 0.000 0.965 89 S CB -0.555 62.604 63.200 -0.069 0.000 0.773 89 S HN 0.406 nan 8.310 nan 0.000 0.504 90 T N 1.591 116.204 114.554 0.099 0.000 2.904 90 T HA 0.102 4.453 4.350 0.000 0.000 0.267 90 T C 1.959 176.840 174.700 0.303 0.000 1.059 90 T CA 1.176 63.357 62.100 0.135 0.000 1.137 90 T CB -0.852 68.026 68.868 0.017 0.000 0.879 90 T HN 0.644 nan 8.240 nan 0.000 0.467 91 G N 1.303 110.299 108.800 0.327 0.000 2.408 91 G HA2 -0.090 3.870 3.960 0.000 0.000 0.217 91 G HA3 -0.090 3.870 3.960 0.000 0.000 0.217 91 G C 1.497 176.453 174.900 0.093 0.000 1.150 91 G CA 0.302 45.511 45.100 0.181 0.000 0.776 91 G HN 0.478 nan 8.290 nan 0.000 0.542 92 I N 1.352 121.965 120.570 0.071 0.000 2.252 92 I HA -0.149 4.021 4.170 0.000 0.000 0.245 92 I C 3.266 179.400 176.117 0.028 0.000 1.102 92 I CA 0.908 62.228 61.300 0.034 0.000 1.385 92 I CB -0.173 37.820 38.000 -0.011 0.000 1.064 92 I HN 0.236 nan 8.210 nan 0.000 0.414 93 A N 0.248 123.089 122.820 0.034 0.000 1.933 93 A HA -0.204 4.117 4.320 0.000 0.000 0.218 93 A C 2.377 179.984 177.584 0.039 0.000 1.175 93 A CA 2.376 54.427 52.037 0.024 0.000 0.628 93 A CB -1.030 17.980 19.000 0.017 0.000 0.814 93 A HN 0.366 nan 8.150 nan 0.000 0.444 94 T N -0.631 113.972 114.554 0.082 0.000 2.708 94 T HA -0.147 4.203 4.350 0.000 0.000 0.266 94 T C 2.296 177.019 174.700 0.037 0.000 1.037 94 T CA 1.857 64.008 62.100 0.085 0.000 1.146 94 T CB -0.320 68.643 68.868 0.158 0.000 0.865 94 T HN 0.568 nan 8.240 nan 0.000 0.435 95 S N 0.081 115.798 115.700 0.029 0.000 2.399 95 S HA -0.066 4.404 4.470 0.000 0.000 0.231 95 S C 2.117 176.720 174.600 0.005 0.000 1.022 95 S CA 1.064 59.270 58.200 0.009 0.000 0.983 95 S CB -0.439 62.768 63.200 0.011 0.000 0.803 95 S HN 0.281 nan 8.310 nan 0.000 0.480 96 V N 0.689 120.608 119.914 0.008 0.000 2.591 96 V HA 0.153 4.273 4.120 0.000 0.000 0.249 96 V C 2.023 178.114 176.094 -0.005 0.000 1.053 96 V CA 1.428 63.730 62.300 0.004 0.000 1.068 96 V CB -0.190 31.636 31.823 0.005 0.000 0.689 96 V HN 0.542 nan 8.190 nan 0.000 0.462 97 L N -0.592 120.624 121.223 -0.011 0.000 2.249 97 L HA 0.066 4.406 4.340 0.000 0.000 0.207 97 L C 1.907 178.754 176.870 -0.038 0.000 1.090 97 L CA 1.007 55.831 54.840 -0.026 0.000 0.802 97 L CB -0.214 41.825 42.059 -0.033 0.000 0.947 97 L HN 0.294 nan 8.230 nan 0.000 0.453 98 D N -0.140 120.240 120.400 -0.033 0.000 2.333 98 D HA 0.028 4.668 4.640 0.000 0.000 0.208 98 D C -0.180 176.099 176.300 -0.036 0.000 0.984 98 D CA 0.191 54.164 54.000 -0.045 0.000 0.873 98 D CB 0.316 41.089 40.800 -0.045 0.000 0.935 98 D HN -0.048 nan 8.370 nan 0.000 0.521 99 R N 0.317 120.803 120.500 -0.024 0.000 2.318 99 R HA -0.078 4.262 4.340 0.000 0.000 0.352 99 R C -0.770 175.516 176.300 -0.023 0.000 1.046 99 R CA 0.124 56.214 56.100 -0.017 0.000 0.745 99 R CB -3.063 27.230 30.300 -0.012 0.000 2.292 99 R HN 0.327 nan 8.270 nan 0.000 0.475 100 S N 0.121 115.809 115.700 -0.021 0.000 2.541 100 S HA 0.755 5.225 4.470 0.000 0.000 0.271 100 S C -2.896 171.696 174.600 -0.013 0.000 1.133 100 S CA -1.577 56.606 58.200 -0.028 0.000 0.876 100 S CB 3.643 66.812 63.200 -0.050 0.000 1.105 100 S HN 0.158 nan 8.310 nan 0.000 0.470 101 P HA 0.338 nan 4.420 nan 0.000 0.256 101 P C -0.860 176.440 177.300 0.000 0.000 1.689 101 P CA -0.257 62.839 63.100 -0.007 0.000 1.124 101 P CB 0.347 32.039 31.700 -0.013 0.000 1.766 102 V N 5.425 125.348 119.914 0.014 0.000 2.435 102 V HA 0.293 4.413 4.120 0.000 0.000 0.290 102 V C 0.519 176.646 176.094 0.055 0.000 1.030 102 V CA -0.780 61.540 62.300 0.033 0.000 0.881 102 V CB 1.968 33.808 31.823 0.029 0.000 0.983 102 V HN 0.287 nan 8.190 nan 0.000 0.445 103 I N 4.404 125.014 120.570 0.066 0.000 2.301 103 I HA 0.492 4.662 4.170 0.000 0.000 0.292 103 I C 0.593 176.782 176.117 0.119 0.000 1.046 103 I CA -0.372 60.977 61.300 0.082 0.000 1.282 103 I CB 0.828 38.865 38.000 0.061 0.000 1.409 103 I HN 0.668 nan 8.210 nan 0.000 0.484 104 A N 8.313 131.222 122.820 0.149 0.000 2.260 104 A HA 0.798 5.118 4.320 0.000 0.000 0.314 104 A C -0.432 177.216 177.584 0.106 0.000 1.257 104 A CA -0.467 51.684 52.037 0.191 0.000 0.871 104 A CB 0.562 19.730 19.000 0.281 0.000 1.166 104 A HN 0.672 nan 8.150 nan 0.000 0.522 105 L N 2.122 123.334 121.223 -0.018 0.000 2.341 105 L HA 0.788 5.128 4.340 0.000 0.000 0.278 105 L C 0.209 176.761 176.870 -0.529 0.000 1.005 105 L CA -0.357 54.280 54.840 -0.337 0.000 0.818 105 L CB 2.068 43.955 42.059 -0.287 0.000 1.259 105 L HN 0.771 nan 8.230 nan 0.000 0.418 106 A N 2.148 124.641 122.820 -0.545 0.000 2.422 106 A HA 0.886 5.206 4.320 0.000 0.000 0.302 106 A C -0.356 177.005 177.584 -0.371 0.000 1.041 106 A CA -0.441 51.355 52.037 -0.400 0.000 0.708 106 A CB 1.567 20.619 19.000 0.087 0.000 1.257 106 A HN 0.767 nan 8.150 nan 0.000 0.414 107 A N 0.875 123.522 122.820 -0.288 0.000 2.366 107 A HA 0.612 4.932 4.320 0.000 0.000 0.250 107 A C 0.159 177.715 177.584 -0.046 0.000 1.099 107 A CA 0.246 52.224 52.037 -0.100 0.000 0.794 107 A CB 0.479 19.509 19.000 0.051 0.000 1.056 107 A HN 1.184 nan 8.150 nan 0.000 0.499 108 Q N -0.498 119.289 119.800 -0.021 0.000 2.462 108 Q HA 0.501 4.841 4.340 0.000 0.000 0.285 108 Q C -0.653 175.343 176.000 -0.006 0.000 1.035 108 Q CA -0.314 55.480 55.803 -0.015 0.000 0.799 108 Q CB 1.660 30.382 28.738 -0.027 0.000 1.452 108 Q HN 0.739 nan 8.270 nan 0.000 0.404 109 S N 1.777 117.467 115.700 -0.017 0.000 2.558 109 S HA 0.062 4.532 4.470 0.000 0.000 0.287 109 S C -0.559 174.029 174.600 -0.020 0.000 1.321 109 S CA -0.113 58.076 58.200 -0.018 0.000 1.048 109 S CB 0.063 63.240 63.200 -0.037 0.000 0.844 109 S HN 0.554 nan 8.310 nan 0.000 0.512 110 E N 1.829 122.031 120.200 0.003 0.000 2.829 110 E HA -0.070 4.280 4.350 0.000 0.000 0.264 110 E C 1.380 177.992 176.600 0.020 0.000 0.922 110 E CA 0.589 57.020 56.400 0.053 0.000 0.960 110 E CB 0.273 30.040 29.700 0.111 0.000 0.918 110 E HN 0.661 nan 8.360 nan 0.000 0.497 111 S N 3.504 119.263 115.700 0.098 0.000 2.372 111 S HA -0.316 4.154 4.470 0.000 0.000 0.227 111 S C 1.746 176.346 174.600 0.000 0.000 1.044 111 S CA 1.761 59.985 58.200 0.039 0.000 1.050 111 S CB -0.594 62.637 63.200 0.053 0.000 0.901 111 S HN 0.785 nan 8.310 nan 0.000 0.447 112 H N 0.311 119.332 119.070 -0.082 0.000 2.561 112 H HA 0.197 4.753 4.556 0.000 0.000 0.278 112 H C 0.463 175.708 175.328 -0.138 0.000 1.014 112 H CA 1.243 57.239 56.048 -0.086 0.000 1.211 112 H CB -0.554 29.198 29.762 -0.018 0.000 1.365 112 H HN 0.491 nan 8.280 nan 0.000 0.594 113 D N 0.426 120.499 120.400 -0.545 0.000 2.538 113 D HA 0.206 4.846 4.640 0.000 0.000 0.231 113 D C -0.217 175.820 176.300 -0.439 0.000 1.229 113 D CA -0.335 53.404 54.000 -0.436 0.000 0.828 113 D CB -0.280 40.304 40.800 -0.359 0.000 1.035 113 D HN 0.285 nan 8.370 nan 0.000 0.495 114 I N 1.532 121.739 120.570 -0.606 0.000 2.311 114 I HA 0.154 4.324 4.170 0.000 0.000 0.297 114 I C -0.600 175.111 176.117 -0.677 0.000 1.131 114 I CA -0.075 60.955 61.300 -0.450 0.000 1.289 114 I CB 0.003 37.837 38.000 -0.278 0.000 1.446 114 I HN -0.098 nan 8.210 nan 0.000 0.524 115 F N 7.202 127.139 119.950 -0.021 0.000 2.676 115 F HA 0.391 4.918 4.527 0.000 0.000 0.371 115 F C -2.274 173.521 175.800 -0.009 0.000 1.141 115 F CA -2.850 55.143 58.000 -0.013 0.000 1.133 115 F CB 0.780 39.772 39.000 -0.014 0.000 1.376 115 F HN 0.237 nan 8.300 nan 0.000 0.491 116 P HA 0.059 nan 4.420 nan 0.000 0.261 116 P C 0.059 177.403 177.300 0.074 0.000 1.183 116 P CA 0.746 63.885 63.100 0.066 0.000 0.761 116 P CB 0.374 32.097 31.700 0.039 0.000 0.785 117 N N 1.309 120.042 118.700 0.054 0.000 2.878 117 N HA -0.150 4.590 4.740 0.000 0.000 0.247 117 N C 0.119 175.660 175.510 0.052 0.000 1.021 117 N CA 1.209 54.284 53.050 0.043 0.000 0.873 117 N CB -1.468 37.037 38.487 0.031 0.000 1.128 117 N HN 0.503 nan 8.380 nan 0.000 0.571 118 D N -1.046 119.402 120.400 0.080 0.000 2.760 118 D HA 0.080 4.720 4.640 0.000 0.000 0.285 118 D C 0.181 176.539 176.300 0.096 0.000 1.178 118 D CA 0.662 54.704 54.000 0.070 0.000 1.031 118 D CB -0.032 40.796 40.800 0.046 0.000 1.544 118 D HN 0.029 nan 8.370 nan 0.000 0.468 119 T N 1.146 115.791 114.554 0.152 0.000 2.930 119 T HA 0.017 4.367 4.350 0.000 0.000 0.306 119 T C 0.180 174.959 174.700 0.132 0.000 1.045 119 T CA 0.013 62.207 62.100 0.156 0.000 1.134 119 T CB 0.561 69.531 68.868 0.169 0.000 0.961 119 T HN 0.081 nan 8.240 nan 0.000 0.545 120 H N 3.005 122.100 119.070 0.042 0.000 3.192 120 H HA -0.043 4.513 4.556 0.000 0.000 0.295 120 H C 1.050 176.396 175.328 0.030 0.000 0.943 120 H CA 1.069 57.135 56.048 0.030 0.000 1.416 120 H CB -0.189 29.588 29.762 0.026 0.000 1.434 120 H HN 0.775 nan 8.280 nan 0.000 0.565 121 Q N 1.134 120.745 119.800 -0.315 0.000 2.460 121 Q HA -0.262 4.078 4.340 0.000 0.000 0.248 121 Q C -0.383 175.549 176.000 -0.112 0.000 0.847 121 Q CA 1.000 56.639 55.803 -0.274 0.000 1.214 121 Q CB -1.972 26.523 28.738 -0.406 0.000 1.523 121 Q HN 0.585 nan 8.270 nan 0.000 0.602 122 C N 1.535 120.806 119.300 -0.049 0.000 2.239 122 C HA 0.650 5.110 4.460 0.000 0.000 0.325 122 C C 0.222 175.210 174.990 -0.003 0.000 1.231 122 C CA -0.494 58.514 59.018 -0.016 0.000 1.652 122 C CB -0.466 27.282 27.740 0.013 0.000 2.284 122 C HN 0.340 nan 8.230 nan 0.000 0.499 123 L N 4.269 125.487 121.223 -0.008 0.000 2.319 123 L HA 0.460 4.800 4.340 0.000 0.000 0.267 123 L C 0.092 176.962 176.870 -0.001 0.000 1.011 123 L CA -0.519 54.318 54.840 -0.005 0.000 0.818 123 L CB 1.130 43.180 42.059 -0.014 0.000 1.316 123 L HN 0.461 nan 8.230 nan 0.000 0.432 124 D N 0.317 120.715 120.400 -0.002 0.000 2.551 124 D HA 0.078 4.718 4.640 0.000 0.000 0.223 124 D C 0.879 177.176 176.300 -0.004 0.000 1.144 124 D CA 0.186 54.186 54.000 -0.001 0.000 1.025 124 D CB 0.656 41.454 40.800 -0.003 0.000 1.085 124 D HN 0.453 nan 8.370 nan 0.000 0.506 125 S N 0.920 116.635 115.700 0.025 0.000 2.359 125 S HA -0.145 4.325 4.470 0.000 0.000 0.224 125 S C 2.171 176.779 174.600 0.014 0.000 1.035 125 S CA 0.735 58.954 58.200 0.032 0.000 1.018 125 S CB 0.018 63.341 63.200 0.204 0.000 0.876 125 S HN 0.434 nan 8.310 nan 0.000 0.448 126 V N 1.922 121.903 119.914 0.112 0.000 2.407 126 V HA -0.202 3.918 4.120 0.000 0.000 0.248 126 V C 2.605 178.693 176.094 -0.011 0.000 1.055 126 V CA 1.703 64.062 62.300 0.098 0.000 1.049 126 V CB -1.163 30.701 31.823 0.069 0.000 0.662 126 V HN 0.559 nan 8.190 nan 0.000 0.455 127 A N -0.369 122.437 122.820 -0.022 0.000 1.968 127 A HA -0.084 4.236 4.320 0.000 0.000 0.217 127 A C 2.140 179.688 177.584 -0.060 0.000 1.169 127 A CA 1.491 53.506 52.037 -0.036 0.000 0.638 127 A CB -0.440 18.546 19.000 -0.023 0.000 0.812 127 A HN 0.515 nan 8.150 nan 0.000 0.446 128 I N -0.701 119.819 120.570 -0.084 0.000 2.353 128 I HA -0.147 4.023 4.170 0.000 0.000 0.248 128 I C 1.967 177.990 176.117 -0.156 0.000 1.119 128 I CA 0.910 62.145 61.300 -0.109 0.000 1.417 128 I CB 0.022 37.955 38.000 -0.111 0.000 1.078 128 I HN 0.134 nan 8.210 nan 0.000 0.421 129 V N 0.361 120.132 119.914 -0.238 0.000 3.174 129 V HA 0.064 4.184 4.120 0.000 0.000 0.254 129 V C 2.513 178.508 176.094 -0.165 0.000 1.120 129 V CA 1.057 63.171 62.300 -0.309 0.000 1.114 129 V CB -0.244 31.128 31.823 -0.751 0.000 0.756 129 V HN 0.382 nan 8.190 nan 0.000 0.467 130 A N 1.384 124.142 122.820 -0.103 0.000 1.892 130 A HA -0.150 4.170 4.320 0.000 0.000 0.218 130 A C 0.444 178.005 177.584 -0.039 0.000 1.188 130 A CA 2.229 54.236 52.037 -0.051 0.000 0.631 130 A CB -1.851 17.125 19.000 -0.040 0.000 0.822 130 A HN 0.551 nan 8.150 nan 0.000 0.447 131 P HA -0.056 nan 4.420 nan 0.000 0.226 131 P C 0.994 178.277 177.300 -0.030 0.000 1.153 131 P CA 1.220 64.300 63.100 -0.032 0.000 0.777 131 P CB -0.135 31.544 31.700 -0.035 0.000 0.794 132 M N -2.860 116.714 119.600 -0.042 0.000 2.685 132 M HA 0.392 4.872 4.480 0.000 0.000 0.355 132 M C -0.341 175.947 176.300 -0.019 0.000 1.197 132 M CA -0.400 54.880 55.300 -0.034 0.000 0.947 132 M CB 0.454 33.025 32.600 -0.048 0.000 1.346 132 M HN -0.261 nan 8.290 nan 0.000 0.516 133 S N -1.368 114.331 115.700 -0.002 0.000 2.607 133 S HA 0.576 5.046 4.470 0.000 0.000 0.273 133 S C 0.232 174.867 174.600 0.059 0.000 1.148 133 S CA -0.980 57.240 58.200 0.034 0.000 0.833 133 S CB 1.674 64.904 63.200 0.049 0.000 1.130 133 S HN 0.166 nan 8.310 nan 0.000 0.470 134 K N -0.280 120.176 120.400 0.093 0.000 2.365 134 K HA 0.208 4.528 4.320 0.000 0.000 0.197 134 K C -0.552 176.164 176.600 0.194 0.000 1.042 134 K CA 0.901 57.253 56.287 0.109 0.000 0.987 134 K CB -0.401 32.152 32.500 0.089 0.000 0.779 134 K HN 0.732 nan 8.250 nan 0.000 0.484 135 Y N -0.834 119.489 120.300 0.038 0.000 2.393 135 Y HA 0.398 4.948 4.550 0.000 0.000 0.320 135 Y C -2.145 173.809 175.900 0.089 0.000 1.241 135 Y CA -1.104 57.022 58.100 0.044 0.000 1.122 135 Y CB 1.150 39.626 38.460 0.026 0.000 1.322 135 Y HN -0.061 nan 8.280 nan 0.000 0.441 136 A N 5.115 127.711 122.820 -0.373 0.000 2.437 136 A HA 0.812 5.132 4.320 0.000 0.000 0.293 136 A C -2.177 175.196 177.584 -0.351 0.000 1.038 136 A CA -0.418 51.519 52.037 -0.167 0.000 0.708 136 A CB 1.528 20.555 19.000 0.045 0.000 1.251 136 A HN 1.243 nan 8.150 nan 0.000 0.409 137 V N 1.456 121.191 119.914 -0.299 0.000 3.120 137 V HA 0.657 4.777 4.120 0.000 0.000 0.303 137 V C -1.145 174.845 176.094 -0.174 0.000 1.238 137 V CA -0.485 61.655 62.300 -0.267 0.000 1.008 137 V CB 2.122 33.729 31.823 -0.360 0.000 1.064 137 V HN 1.030 nan 8.190 nan 0.000 0.434 138 E N 3.380 123.509 120.200 -0.118 0.000 2.158 138 E HA 0.488 4.838 4.350 0.000 0.000 0.271 138 E C -1.155 175.395 176.600 -0.082 0.000 0.911 138 E CA -0.848 55.490 56.400 -0.104 0.000 0.767 138 E CB 1.830 31.493 29.700 -0.062 0.000 1.120 138 E HN 0.666 nan 8.360 nan 0.000 0.405 139 L N 4.111 125.283 121.223 -0.085 0.000 2.453 139 L HA 0.021 4.361 4.340 0.000 0.000 0.272 139 L C 0.372 177.223 176.870 -0.031 0.000 1.182 139 L CA 1.152 55.961 54.840 -0.052 0.000 0.858 139 L CB 0.623 42.654 42.059 -0.046 0.000 1.120 139 L HN 0.775 nan 8.230 nan 0.000 0.474 140 Q N 3.501 123.291 119.800 -0.017 0.000 2.404 140 Q HA 0.303 4.643 4.340 0.000 0.000 0.262 140 Q C -0.169 175.841 176.000 0.017 0.000 0.846 140 Q CA 0.018 55.819 55.803 -0.003 0.000 0.978 140 Q CB 0.996 29.732 28.738 -0.004 0.000 1.156 140 Q HN 0.578 nan 8.270 nan 0.000 0.548 141 R N 0.675 121.190 120.500 0.026 0.000 2.483 141 R HA 0.234 4.574 4.340 0.000 0.000 0.303 141 R C -2.224 174.125 176.300 0.083 0.000 0.987 141 R CA -1.794 54.351 56.100 0.074 0.000 0.881 141 R CB 1.576 31.949 30.300 0.121 0.000 1.177 141 R HN -0.121 nan 8.270 nan 0.000 0.451 142 P HA -0.291 nan 4.420 nan 0.000 0.217 142 P C 1.010 178.363 177.300 0.088 0.000 1.158 142 P CA 1.464 64.611 63.100 0.078 0.000 0.887 142 P CB 0.026 31.773 31.700 0.078 0.000 0.792 143 H N -0.095 118.984 119.070 0.015 0.000 2.521 143 H HA 0.001 4.557 4.556 0.000 0.000 0.286 143 H C 1.126 176.466 175.328 0.020 0.000 1.034 143 H CA 1.154 57.213 56.048 0.018 0.000 1.278 143 H CB -0.771 29.001 29.762 0.015 0.000 1.386 143 H HN 0.240 nan 8.280 nan 0.000 0.567 144 E N 0.161 120.071 120.200 -0.484 0.000 2.482 144 E HA -0.028 4.322 4.350 0.000 0.000 0.196 144 E C 1.750 178.258 176.600 -0.153 0.000 1.047 144 E CA 0.155 56.316 56.400 -0.397 0.000 0.869 144 E CB -0.003 29.530 29.700 -0.278 0.000 0.836 144 E HN 0.298 nan 8.360 nan 0.000 0.520 145 I N 1.097 121.617 120.570 -0.084 0.000 2.454 145 I HA -0.235 3.935 4.170 0.000 0.000 0.254 145 I C 1.891 178.001 176.117 -0.012 0.000 1.156 145 I CA 1.525 62.809 61.300 -0.027 0.000 1.433 145 I CB -0.249 37.752 38.000 0.002 0.000 1.082 145 I HN -0.033 nan 8.210 nan 0.000 0.432 146 T N 0.664 115.201 114.554 -0.027 0.000 2.737 146 T HA -0.177 4.173 4.350 0.000 0.000 0.265 146 T C 1.401 176.100 174.700 -0.001 0.000 1.038 146 T CA 1.765 63.861 62.100 -0.007 0.000 1.144 146 T CB -0.481 68.379 68.868 -0.012 0.000 0.866 146 T HN 0.674 nan 8.240 nan 0.000 0.434 147 D N 0.976 121.357 120.400 -0.032 0.000 2.269 147 D HA -0.012 4.628 4.640 0.000 0.000 0.208 147 D C 1.938 178.235 176.300 -0.005 0.000 0.963 147 D CA 0.573 54.562 54.000 -0.019 0.000 0.864 147 D CB -0.587 40.192 40.800 -0.034 0.000 0.936 147 D HN 0.333 nan 8.370 nan 0.000 0.505 148 L N 0.176 121.404 121.223 0.009 0.000 2.131 148 L HA -0.047 4.293 4.340 0.000 0.000 0.206 148 L C 2.458 179.342 176.870 0.024 0.000 1.087 148 L CA 0.426 55.304 54.840 0.064 0.000 0.767 148 L CB -0.303 41.801 42.059 0.074 0.000 0.917 148 L HN 0.045 nan 8.230 nan 0.000 0.441 149 V N 0.118 120.043 119.914 0.018 0.000 2.332 149 V HA -0.299 3.821 4.120 0.000 0.000 0.248 149 V C 2.112 178.172 176.094 -0.057 0.000 1.055 149 V CA 1.954 64.259 62.300 0.008 0.000 1.038 149 V CB -0.512 31.354 31.823 0.072 0.000 0.651 149 V HN 0.427 nan 8.190 nan 0.000 0.450 150 D N -0.048 120.355 120.400 0.004 0.000 2.097 150 D HA -0.114 4.526 4.640 0.000 0.000 0.195 150 D C 2.447 178.650 176.300 -0.161 0.000 0.989 150 D CA 1.676 55.676 54.000 0.000 0.000 0.827 150 D CB -0.338 40.502 40.800 0.067 0.000 0.966 150 D HN 0.358 nan 8.370 nan 0.000 0.456 151 S N 0.273 115.840 115.700 -0.222 0.000 2.402 151 S HA -0.089 4.381 4.470 0.000 0.000 0.229 151 S C 2.036 176.151 174.600 -0.809 0.000 1.021 151 S CA 0.928 58.869 58.200 -0.432 0.000 0.974 151 S CB -0.130 62.846 63.200 -0.373 0.000 0.800 151 S HN 0.359 nan 8.310 nan 0.000 0.484 152 A N 1.098 123.488 122.820 -0.717 0.000 1.873 152 A HA -0.026 4.294 4.320 0.000 0.000 0.215 152 A C 2.319 179.717 177.584 -0.310 0.000 1.186 152 A CA 1.375 53.093 52.037 -0.533 0.000 0.616 152 A CB -0.878 18.044 19.000 -0.129 0.000 0.823 152 A HN 0.336 nan 8.150 nan 0.000 0.442 153 V N 1.047 120.778 119.914 -0.306 0.000 2.343 153 V HA -0.266 3.854 4.120 0.000 0.000 0.247 153 V C 2.332 178.296 176.094 -0.217 0.000 1.051 153 V CA 2.160 64.278 62.300 -0.304 0.000 1.036 153 V CB -1.002 30.472 31.823 -0.583 0.000 0.654 153 V HN 0.545 nan 8.190 nan 0.000 0.451 154 N N 0.642 119.213 118.700 -0.215 0.000 2.069 154 N HA -0.143 4.597 4.740 0.000 0.000 0.191 154 N C 1.837 177.273 175.510 -0.123 0.000 1.031 154 N CA 1.829 54.793 53.050 -0.145 0.000 0.852 154 N CB -0.521 37.884 38.487 -0.137 0.000 1.018 154 N HN 0.505 nan 8.380 nan 0.000 0.423 155 A N 0.557 123.278 122.820 -0.166 0.000 1.929 155 A HA 0.185 4.505 4.320 0.000 0.000 0.216 155 A C 2.302 179.862 177.584 -0.040 0.000 1.176 155 A CA 1.538 53.527 52.037 -0.081 0.000 0.628 155 A CB -0.647 18.320 19.000 -0.055 0.000 0.816 155 A HN 0.299 nan 8.150 nan 0.000 0.444 156 A N -1.046 121.738 122.820 -0.059 0.000 1.933 156 A HA -0.024 4.296 4.320 0.000 0.000 0.218 156 A C 1.855 179.422 177.584 -0.029 0.000 1.175 156 A CA 1.613 53.633 52.037 -0.029 0.000 0.628 156 A CB -0.329 18.649 19.000 -0.037 0.000 0.814 156 A HN 0.389 nan 8.150 nan 0.000 0.444 157 M N 0.728 120.300 119.600 -0.046 0.000 2.493 157 M HA 0.119 4.600 4.480 0.000 0.000 0.244 157 M C -0.388 175.898 176.300 -0.023 0.000 1.182 157 M CA 0.499 55.780 55.300 -0.031 0.000 0.981 157 M CB -0.681 31.897 32.600 -0.037 0.000 1.551 157 M HN 0.134 nan 8.290 nan 0.000 0.476 158 T N 1.238 115.780 114.554 -0.021 0.000 2.829 158 T HA 0.275 4.625 4.350 0.000 0.000 0.282 158 T C 0.366 175.061 174.700 -0.009 0.000 0.990 158 T CA -0.617 61.474 62.100 -0.015 0.000 1.028 158 T CB 1.867 70.726 68.868 -0.014 0.000 0.951 158 T HN 0.110 nan 8.240 nan 0.000 0.460 159 E N 3.822 124.016 120.200 -0.010 0.000 2.360 159 E HA 0.186 4.536 4.350 0.000 0.000 0.269 159 E C -2.168 174.429 176.600 -0.005 0.000 1.022 159 E CA -1.873 54.522 56.400 -0.008 0.000 0.887 159 E CB 0.513 30.203 29.700 -0.016 0.000 0.990 159 E HN 0.355 nan 8.360 nan 0.000 0.426 160 P HA 0.032 nan 4.420 nan 0.000 0.282 160 P C 0.062 177.363 177.300 0.002 0.000 1.262 160 P CA -0.387 62.713 63.100 -0.000 0.000 0.773 160 P CB 0.639 32.341 31.700 0.002 0.000 0.879 161 V N 1.378 121.292 119.914 0.000 0.000 3.139 161 V HA 0.740 4.861 4.120 0.000 0.000 0.307 161 V C 0.601 176.696 176.094 0.003 0.000 1.095 161 V CA 0.470 62.770 62.300 0.000 0.000 1.160 161 V CB -0.047 31.776 31.823 -0.000 0.000 1.003 161 V HN 0.919 nan 8.190 nan 0.000 0.489 162 G N 2.548 111.352 108.800 0.006 0.000 2.340 162 G HA2 0.577 4.537 3.960 0.000 0.000 0.299 162 G HA3 0.577 4.537 3.960 0.000 0.000 0.299 162 G C -3.518 171.398 174.900 0.026 0.000 1.291 162 G CA -0.482 44.626 45.100 0.014 0.000 0.841 162 G HN 0.749 nan 8.290 nan 0.000 0.500 163 P HA 0.506 nan 4.420 nan 0.000 0.288 163 P C -0.673 176.693 177.300 0.109 0.000 1.267 163 P CA -0.214 62.925 63.100 0.067 0.000 0.815 163 P CB 1.869 33.608 31.700 0.065 0.000 0.989 164 S N 1.839 117.623 115.700 0.141 0.000 2.503 164 S HA 0.629 5.099 4.470 0.000 0.000 0.301 164 S C -0.965 173.810 174.600 0.292 0.000 1.087 164 S CA -0.325 58.020 58.200 0.243 0.000 1.042 164 S CB 0.615 63.938 63.200 0.205 0.000 1.043 164 S HN 0.433 nan 8.310 nan 0.000 0.489 165 F N 2.946 122.970 119.950 0.124 0.000 2.507 165 F HA 0.706 5.233 4.527 0.000 0.000 0.325 165 F C -1.306 174.506 175.800 0.021 0.000 1.116 165 F CA -1.033 56.989 58.000 0.037 0.000 0.930 165 F CB 0.680 39.671 39.000 -0.016 0.000 1.146 165 F HN 0.432 nan 8.300 nan 0.000 0.447 166 I N 4.632 124.728 120.570 -0.790 0.000 2.466 166 I HA 0.280 4.450 4.170 0.000 0.000 0.289 166 I C -0.487 174.984 176.117 -1.077 0.000 1.026 166 I CA -0.758 60.122 61.300 -0.699 0.000 1.078 166 I CB 1.949 39.784 38.000 -0.276 0.000 1.249 166 I HN 0.518 nan 8.210 nan 0.000 0.429 167 S N 6.832 122.038 115.700 -0.824 0.000 2.508 167 S HA 0.689 5.159 4.470 0.000 0.000 0.284 167 S C -0.604 173.835 174.600 -0.268 0.000 1.192 167 S CA -0.445 57.451 58.200 -0.508 0.000 1.070 167 S CB 0.518 63.603 63.200 -0.191 0.000 1.004 167 S HN 0.483 nan 8.310 nan 0.000 0.493 168 L N 6.242 127.343 121.223 -0.204 0.000 2.454 168 L HA 0.384 4.724 4.340 0.000 0.000 0.258 168 L C -2.500 174.343 176.870 -0.045 0.000 1.025 168 L CA -1.977 52.794 54.840 -0.114 0.000 0.901 168 L CB 1.752 43.742 42.059 -0.116 0.000 1.210 168 L HN 0.450 nan 8.230 nan 0.000 0.457 169 P HA -0.074 nan 4.420 nan 0.000 0.264 169 P C 1.066 178.383 177.300 0.029 0.000 1.193 169 P CA 0.045 63.145 63.100 -0.000 0.000 0.763 169 P CB 1.056 32.756 31.700 0.000 0.000 0.810 170 V N 2.259 122.199 119.914 0.045 0.000 2.626 170 V HA -0.201 3.919 4.120 0.000 0.000 0.252 170 V C 1.478 177.606 176.094 0.055 0.000 1.067 170 V CA 2.160 64.498 62.300 0.062 0.000 1.081 170 V CB -1.121 30.745 31.823 0.072 0.000 0.686 170 V HN 0.488 nan 8.190 nan 0.000 0.468 171 D N 0.980 121.416 120.400 0.059 0.000 2.117 171 D HA -0.219 4.421 4.640 0.000 0.000 0.197 171 D C 2.084 178.404 176.300 0.033 0.000 0.987 171 D CA 2.015 56.045 54.000 0.049 0.000 0.829 171 D CB -0.671 40.167 40.800 0.063 0.000 0.961 171 D HN 0.535 nan 8.370 nan 0.000 0.460 172 L N -0.483 120.761 121.223 0.034 0.000 2.109 172 L HA -0.052 4.288 4.340 0.000 0.000 0.207 172 L C 2.626 179.515 176.870 0.032 0.000 1.086 172 L CA 0.273 55.130 54.840 0.028 0.000 0.760 172 L CB -0.445 41.627 42.059 0.022 0.000 0.910 172 L HN 0.038 nan 8.230 nan 0.000 0.437 173 L N 0.679 121.925 121.223 0.039 0.000 2.079 173 L HA -0.110 4.230 4.340 0.000 0.000 0.210 173 L C 2.040 178.929 176.870 0.031 0.000 1.081 173 L CA 2.039 56.909 54.840 0.050 0.000 0.752 173 L CB -0.889 41.221 42.059 0.086 0.000 0.896 173 L HN 0.149 nan 8.230 nan 0.000 0.433 174 G N -1.823 106.992 108.800 0.024 0.000 3.189 174 G HA2 0.077 4.037 3.960 0.000 0.000 0.225 174 G HA3 0.077 4.037 3.960 0.000 0.000 0.225 174 G C 0.454 175.358 174.900 0.008 0.000 1.159 174 G CA 0.510 45.615 45.100 0.009 0.000 0.763 174 G HN 0.387 nan 8.290 nan 0.000 0.549 175 S N -0.066 115.643 115.700 0.016 0.000 2.578 175 S HA 0.444 4.915 4.470 0.000 0.000 0.283 175 S C 1.313 175.925 174.600 0.020 0.000 1.195 175 S CA 0.212 58.420 58.200 0.013 0.000 1.050 175 S CB 1.527 64.736 63.200 0.015 0.000 1.012 175 S HN 0.267 nan 8.310 nan 0.000 0.511 176 S N 2.056 117.764 115.700 0.014 0.000 2.554 176 S HA 0.254 4.724 4.470 0.000 0.000 0.226 176 S C 0.276 174.886 174.600 0.017 0.000 0.980 176 S CA -0.444 57.767 58.200 0.018 0.000 0.939 176 S CB -0.288 62.915 63.200 0.005 0.000 0.832 176 S HN 0.829 nan 8.310 nan 0.000 0.486 177 E N 1.541 121.749 120.200 0.014 0.000 2.491 177 E HA 0.299 4.650 4.350 0.000 0.000 0.250 177 E C 1.099 177.701 176.600 0.004 0.000 1.061 177 E CA 0.826 57.228 56.400 0.003 0.000 0.942 177 E CB -0.436 29.266 29.700 0.003 0.000 0.957 177 E HN 0.646 nan 8.360 nan 0.000 0.480 178 G N 4.198 112.977 108.800 -0.035 0.000 2.176 178 G HA2 -0.277 3.683 3.960 0.000 0.000 0.253 178 G HA3 -0.277 3.683 3.960 0.000 0.000 0.253 178 G C 0.219 175.095 174.900 -0.041 0.000 0.979 178 G CA 0.035 45.070 45.100 -0.108 0.000 0.641 178 G HN 0.569 nan 8.290 nan 0.000 0.530 179 I N 2.111 122.699 120.570 0.030 0.000 2.304 179 I HA 0.570 4.740 4.170 0.000 0.000 0.291 179 I C 0.685 176.822 176.117 0.034 0.000 1.018 179 I CA 0.477 61.817 61.300 0.066 0.000 1.260 179 I CB 0.914 38.963 38.000 0.082 0.000 1.390 179 I HN 0.309 nan 8.210 nan 0.000 0.475 180 D N 3.804 124.225 120.400 0.035 0.000 2.506 180 D HA 0.954 5.594 4.640 0.000 0.000 0.254 180 D C -0.059 176.260 176.300 0.032 0.000 1.089 180 D CA 0.343 54.356 54.000 0.021 0.000 1.050 180 D CB 1.830 42.636 40.800 0.009 0.000 1.221 180 D HN 0.768 nan 8.370 nan 0.000 0.589 186 P HA 0.524 nan 4.420 nan 0.000 0.272 186 P C -2.498 174.782 177.300 -0.034 0.000 1.223 186 P CA -0.797 62.294 63.100 -0.014 0.000 0.784 186 P CB -0.187 31.509 31.700 -0.006 0.000 0.923 187 P HA 0.083 nan 4.420 nan 0.000 0.267 187 P C 0.294 177.553 177.300 -0.070 0.000 1.200 187 P CA -0.098 62.975 63.100 -0.045 0.000 0.772 187 P CB 0.470 32.155 31.700 -0.024 0.000 0.855 188 A N 2.422 125.167 122.820 -0.126 0.000 1.898 188 A HA 0.070 4.390 4.320 0.000 0.000 0.214 188 A C 1.446 179.009 177.584 -0.034 0.000 1.183 188 A CA 1.558 53.462 52.037 -0.222 0.000 0.622 188 A CB -1.861 16.844 19.000 -0.491 0.000 0.824 188 A HN 0.809 nan 8.150 nan 0.000 0.444 189 N N -0.432 118.263 118.700 -0.010 0.000 2.740 189 N HA -0.159 4.581 4.740 0.000 0.000 0.248 189 N C 0.300 175.860 175.510 0.083 0.000 1.062 189 N CA 1.044 54.114 53.050 0.034 0.000 0.704 189 N CB -2.688 35.817 38.487 0.029 0.000 0.968 189 N HN 0.634 nan 8.380 nan 0.000 0.547 190 T N 1.630 116.257 114.554 0.122 0.000 2.829 190 T HA 0.390 4.740 4.350 0.000 0.000 0.293 190 T C -1.676 173.070 174.700 0.077 0.000 0.970 190 T CA -0.028 62.172 62.100 0.167 0.000 1.168 190 T CB 0.683 69.682 68.868 0.219 0.000 0.911 190 T HN 0.581 nan 8.240 nan 0.000 0.535 191 P HA 0.241 nan 4.420 nan 0.000 0.268 191 P C 0.388 177.706 177.300 0.031 0.000 1.204 191 P CA -0.294 62.824 63.100 0.029 0.000 0.768 191 P CB 0.522 32.229 31.700 0.012 0.000 0.842 192 A N 3.708 126.545 122.820 0.029 0.000 1.970 192 A HA -0.025 4.295 4.320 0.000 0.000 0.216 192 A C 0.897 178.498 177.584 0.028 0.000 1.170 192 A CA 1.255 53.309 52.037 0.030 0.000 0.645 192 A CB -0.422 18.594 19.000 0.027 0.000 0.816 192 A HN 0.652 nan 8.150 nan 0.000 0.447 193 K N -0.884 119.530 120.400 0.022 0.000 2.480 193 K HA 0.595 4.915 4.320 0.000 0.000 0.258 193 K C -3.383 173.224 176.600 0.012 0.000 0.990 193 K CA -2.146 54.153 56.287 0.021 0.000 0.857 193 K CB 1.241 33.753 32.500 0.021 0.000 1.384 193 K HN -0.205 nan 8.250 nan 0.000 0.446 194 P HA -0.020 nan 4.420 nan 0.000 0.266 194 P C -0.667 176.629 177.300 -0.007 0.000 1.195 194 P CA -0.436 62.664 63.100 0.000 0.000 0.768 194 P CB 0.546 32.247 31.700 0.002 0.000 0.838 195 V N 3.378 123.286 119.914 -0.010 0.000 2.585 195 V HA 0.336 4.456 4.120 0.000 0.000 0.296 195 V C 1.188 177.269 176.094 -0.021 0.000 1.035 195 V CA 0.728 63.020 62.300 -0.013 0.000 1.084 195 V CB 0.223 32.038 31.823 -0.012 0.000 0.953 195 V HN 0.779 nan 8.190 nan 0.000 0.483 196 G N 3.450 112.232 108.800 -0.031 0.000 2.489 196 G HA2 0.604 4.564 3.960 0.000 0.000 0.327 196 G HA3 0.604 4.564 3.960 0.000 0.000 0.327 196 G C -0.877 173.994 174.900 -0.047 0.000 1.189 196 G CA -0.669 44.403 45.100 -0.046 0.000 0.962 196 G HN 0.566 nan 8.290 nan 0.000 0.486 197 V N 0.187 120.070 119.914 -0.051 0.000 2.583 197 V HA 0.442 4.562 4.120 0.000 0.000 0.287 197 V C -0.093 175.953 176.094 -0.080 0.000 1.051 197 V CA -0.341 61.931 62.300 -0.046 0.000 1.010 197 V CB 1.187 32.990 31.823 -0.034 0.000 0.988 197 V HN 0.447 nan 8.190 nan 0.000 0.478 198 V N 3.724 123.603 119.914 -0.057 0.000 2.569 198 V HA 0.678 4.798 4.120 0.000 0.000 0.301 198 V C 0.180 176.293 176.094 0.031 0.000 1.044 198 V CA -0.648 61.607 62.300 -0.074 0.000 0.874 198 V CB 1.745 33.521 31.823 -0.078 0.000 1.002 198 V HN 1.011 nan 8.190 nan 0.000 0.424 199 A N 2.865 125.725 122.820 0.067 0.000 2.331 199 A HA 0.563 4.883 4.320 0.000 0.000 0.283 199 A C -0.003 177.714 177.584 0.221 0.000 1.142 199 A CA -0.316 51.790 52.037 0.116 0.000 0.812 199 A CB 0.363 19.414 19.000 0.085 0.000 1.074 199 A HN 0.981 nan 8.150 nan 0.000 0.497 200 D N 1.640 122.128 120.400 0.146 0.000 2.525 200 D HA 0.324 4.964 4.640 0.000 0.000 0.235 200 D C 1.387 177.737 176.300 0.084 0.000 1.137 200 D CA 2.054 56.123 54.000 0.115 0.000 0.868 200 D CB 0.233 41.070 40.800 0.062 0.000 1.180 200 D HN 1.287 nan 8.370 nan 0.000 0.465 201 G N 3.511 112.320 108.800 0.015 0.000 2.143 201 G HA2 -0.284 3.677 3.960 0.000 0.000 0.249 201 G HA3 -0.284 3.677 3.960 0.000 0.000 0.249 201 G C 1.028 175.916 174.900 -0.021 0.000 0.981 201 G CA 0.522 45.599 45.100 -0.038 0.000 0.665 201 G HN 0.729 nan 8.290 nan 0.000 0.528 202 W N 0.177 121.461 121.300 -0.027 0.000 2.363 202 W HA -0.092 4.568 4.660 0.000 0.000 0.296 202 W C 1.545 178.017 176.519 -0.078 0.000 1.212 202 W CA 1.416 58.738 57.345 -0.039 0.000 1.260 202 W CB -0.768 28.675 29.460 -0.029 0.000 1.131 202 W HN 0.387 nan 8.180 nan 0.000 0.530 203 Q N 1.433 120.674 119.800 -0.932 0.000 2.096 203 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 203 Q C 2.268 178.037 176.000 -0.385 0.000 0.982 203 Q CA 2.542 57.729 55.803 -1.027 0.000 0.850 203 Q CB -0.432 27.728 28.738 -0.963 0.000 0.901 203 Q HN 0.285 nan 8.270 nan 0.000 0.422 204 K N -0.170 120.104 120.400 -0.209 0.000 2.057 204 K HA -0.099 4.221 4.320 0.000 0.000 0.207 204 K C 2.054 178.658 176.600 0.006 0.000 1.049 204 K CA 1.147 57.397 56.287 -0.062 0.000 0.931 204 K CB -0.224 32.249 32.500 -0.045 0.000 0.714 204 K HN 0.226 nan 8.250 nan 0.000 0.440 205 A N 1.261 124.098 122.820 0.028 0.000 1.877 205 A HA -0.149 4.171 4.320 0.000 0.000 0.216 205 A C 2.344 180.020 177.584 0.152 0.000 1.186 205 A CA 1.912 53.998 52.037 0.082 0.000 0.620 205 A CB -0.852 18.200 19.000 0.086 0.000 0.822 205 A HN 0.352 nan 8.150 nan 0.000 0.443 206 A N 0.139 123.082 122.820 0.205 0.000 1.917 206 A HA -0.251 4.069 4.320 0.000 0.000 0.219 206 A C 1.760 179.559 177.584 0.358 0.000 1.182 206 A CA 2.091 54.359 52.037 0.385 0.000 0.633 206 A CB -0.672 18.514 19.000 0.310 0.000 0.819 206 A HN 0.486 nan 8.150 nan 0.000 0.448 207 D N -0.541 119.981 120.400 0.203 0.000 2.144 207 D HA -0.131 4.509 4.640 0.000 0.000 0.200 207 D C 2.193 178.597 176.300 0.173 0.000 0.978 207 D CA 1.398 55.510 54.000 0.187 0.000 0.833 207 D CB -0.428 40.450 40.800 0.129 0.000 0.961 207 D HN 0.658 nan 8.370 nan 0.000 0.470 208 Q N 0.286 120.175 119.800 0.149 0.000 2.167 208 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 208 Q C 2.189 178.294 176.000 0.176 0.000 0.970 208 Q CA 1.245 57.126 55.803 0.128 0.000 0.855 208 Q CB -0.069 28.721 28.738 0.087 0.000 0.911 208 Q HN 0.214 nan 8.270 nan 0.000 0.438 209 A N 1.227 124.198 122.820 0.252 0.000 1.902 209 A HA -0.115 4.205 4.320 0.000 0.000 0.217 209 A C 2.321 180.197 177.584 0.486 0.000 1.181 209 A CA 1.519 53.764 52.037 0.348 0.000 0.623 209 A CB -0.759 18.488 19.000 0.413 0.000 0.818 209 A HN 0.392 nan 8.150 nan 0.000 0.443 210 A N -0.136 122.967 122.820 0.471 0.000 1.933 210 A HA 0.136 4.456 4.320 0.000 0.000 0.218 210 A C 2.476 180.257 177.584 0.328 0.000 1.175 210 A CA 2.124 54.294 52.037 0.221 0.000 0.628 210 A CB -0.927 18.035 19.000 -0.063 0.000 0.814 210 A HN 1.038 nan 8.150 nan 0.000 0.444 211 A N -0.341 122.622 122.820 0.239 0.000 1.898 211 A HA 0.031 4.352 4.320 0.000 0.000 0.216 211 A C 2.138 179.792 177.584 0.116 0.000 1.181 211 A CA 1.319 53.450 52.037 0.157 0.000 0.620 211 A CB -0.543 18.520 19.000 0.104 0.000 0.819 211 A HN 0.463 nan 8.150 nan 0.000 0.442 212 L N -0.977 120.331 121.223 0.142 0.000 2.083 212 L HA -0.173 4.167 4.340 0.000 0.000 0.209 212 L C 2.555 179.497 176.870 0.120 0.000 1.083 212 L CA 1.210 56.116 54.840 0.110 0.000 0.752 212 L CB -0.513 41.614 42.059 0.114 0.000 0.899 212 L HN 0.485 nan 8.230 nan 0.000 0.433 213 L N 0.142 121.493 121.223 0.214 0.000 2.093 213 L HA -0.101 4.239 4.340 0.000 0.000 0.208 213 L C 2.603 179.543 176.870 0.116 0.000 1.085 213 L CA 1.851 56.834 54.840 0.238 0.000 0.755 213 L CB -0.599 41.712 42.059 0.419 0.000 0.904 213 L HN 0.118 nan 8.230 nan 0.000 0.435 214 A N -0.681 122.144 122.820 0.008 0.000 1.902 214 A HA -0.217 4.103 4.320 0.000 0.000 0.217 214 A C 2.177 179.624 177.584 -0.229 0.000 1.181 214 A CA 1.868 53.666 52.037 -0.399 0.000 0.623 214 A CB -0.582 18.048 19.000 -0.616 0.000 0.818 214 A HN 0.594 nan 8.150 nan 0.000 0.443 215 E N -0.241 119.894 120.200 -0.108 0.000 2.285 215 E HA 0.217 4.567 4.350 0.000 0.000 0.194 215 E C 0.880 177.446 176.600 -0.057 0.000 0.997 215 E CA 0.267 56.622 56.400 -0.076 0.000 0.845 215 E CB -0.103 29.575 29.700 -0.036 0.000 0.782 215 E HN 0.603 nan 8.360 nan 0.000 0.491 216 A N 0.631 123.430 122.820 -0.035 0.000 2.340 216 A HA 0.455 4.775 4.320 0.000 0.000 0.268 216 A C 1.110 178.647 177.584 -0.079 0.000 1.100 216 A CA 0.383 52.403 52.037 -0.027 0.000 0.803 216 A CB 0.630 19.639 19.000 0.014 0.000 1.043 216 A HN 0.202 nan 8.150 nan 0.000 0.488 217 K N 0.554 120.876 120.400 -0.129 0.000 2.276 217 K HA 0.141 4.461 4.320 0.000 0.000 0.198 217 K C 0.497 176.763 176.600 -0.558 0.000 1.052 217 K CA 1.181 57.269 56.287 -0.330 0.000 0.984 217 K CB -0.027 32.259 32.500 -0.356 0.000 0.836 217 K HN 0.847 nan 8.250 nan 0.000 0.490 218 H N 0.556 119.623 119.070 -0.005 0.000 2.429 218 H HA 0.272 4.828 4.556 0.000 0.000 0.231 218 H C -2.962 172.317 175.328 -0.082 0.000 1.416 218 H CA -2.202 53.821 56.048 -0.042 0.000 1.443 218 H CB 1.178 30.889 29.762 -0.085 0.000 1.591 218 H HN 0.270 nan 8.280 nan 0.000 0.507 219 P HA 0.180 nan 4.420 nan 0.000 0.276 219 P C 0.045 177.341 177.300 -0.007 0.000 1.244 219 P CA -0.477 62.636 63.100 0.022 0.000 0.801 219 P CB 2.230 33.966 31.700 0.060 0.000 1.006 220 V N -0.910 118.994 119.914 -0.017 0.000 2.925 220 V HA 0.560 4.680 4.120 0.000 0.000 0.311 220 V C -0.758 175.321 176.094 -0.024 0.000 1.104 220 V CA -1.133 61.152 62.300 -0.025 0.000 0.954 220 V CB 1.842 33.670 31.823 0.008 0.000 1.022 220 V HN 0.264 nan 8.190 nan 0.000 0.427 221 L N 3.408 124.617 121.223 -0.024 0.000 2.272 221 L HA 0.627 4.967 4.340 0.000 0.000 0.289 221 L C -0.565 176.302 176.870 -0.005 0.000 1.032 221 L CA -0.730 54.096 54.840 -0.022 0.000 0.810 221 L CB 1.746 43.799 42.059 -0.009 0.000 1.205 221 L HN 0.550 nan 8.230 nan 0.000 0.422 222 V N 5.034 124.939 119.914 -0.015 0.000 2.328 222 V HA 0.311 4.431 4.120 0.000 0.000 0.278 222 V C 0.069 176.188 176.094 0.041 0.000 1.021 222 V CA -0.503 61.820 62.300 0.039 0.000 0.838 222 V CB 1.840 33.669 31.823 0.010 0.000 0.999 222 V HN 0.414 nan 8.190 nan 0.000 0.447 223 V N 4.626 124.572 119.914 0.053 0.000 2.435 223 V HA 0.805 4.925 4.120 0.000 0.000 0.290 223 V C 0.752 176.877 176.094 0.051 0.000 1.030 223 V CA -0.149 62.173 62.300 0.037 0.000 0.881 223 V CB 1.605 33.437 31.823 0.014 0.000 0.983 223 V HN 0.879 nan 8.190 nan 0.000 0.445 224 G N 2.129 110.954 108.800 0.042 0.000 2.667 224 G HA2 0.578 4.538 3.960 0.000 0.000 0.310 224 G HA3 0.578 4.538 3.960 0.000 0.000 0.310 224 G C 0.874 175.794 174.900 0.033 0.000 1.259 224 G CA -0.001 45.117 45.100 0.030 0.000 1.019 224 G HN 0.887 nan 8.290 nan 0.000 0.496 225 A N -0.408 122.448 122.820 0.061 0.000 1.978 225 A HA 0.155 4.475 4.320 0.000 0.000 0.220 225 A C 2.647 180.293 177.584 0.104 0.000 1.170 225 A CA 2.476 54.594 52.037 0.135 0.000 0.636 225 A CB -0.768 18.368 19.000 0.226 0.000 0.810 225 A HN 1.387 nan 8.150 nan 0.000 0.448 226 A N -0.116 122.736 122.820 0.052 0.000 2.024 226 A HA 0.115 4.436 4.320 0.000 0.000 0.220 226 A C 2.428 180.026 177.584 0.023 0.000 1.164 226 A CA 1.979 54.038 52.037 0.036 0.000 0.643 226 A CB -0.858 18.147 19.000 0.008 0.000 0.806 226 A HN 1.064 nan 8.150 nan 0.000 0.451 227 A N -0.043 122.783 122.820 0.010 0.000 1.933 227 A HA -0.081 4.239 4.320 0.000 0.000 0.218 227 A C 2.071 179.643 177.584 -0.021 0.000 1.175 227 A CA 1.549 53.583 52.037 -0.005 0.000 0.628 227 A CB -0.544 18.450 19.000 -0.009 0.000 0.814 227 A HN 0.516 nan 8.150 nan 0.000 0.444 228 I N -1.059 119.484 120.570 -0.046 0.000 2.286 228 I HA -0.213 3.957 4.170 0.000 0.000 0.245 228 I C 2.688 178.806 176.117 0.001 0.000 1.104 228 I CA 0.986 62.221 61.300 -0.107 0.000 1.397 228 I CB -0.326 37.450 38.000 -0.373 0.000 1.072 228 I HN 0.243 nan 8.210 nan 0.000 0.417 229 R N 0.047 120.597 120.500 0.084 0.000 2.105 229 R HA -0.172 4.168 4.340 0.000 0.000 0.239 229 R C 2.447 178.775 176.300 0.046 0.000 1.135 229 R CA 1.657 57.814 56.100 0.095 0.000 0.967 229 R CB -0.526 29.827 30.300 0.088 0.000 0.861 229 R HN 0.236 nan 8.270 nan 0.000 0.442 230 S N -0.630 115.084 115.700 0.023 0.000 2.474 230 S HA -0.030 4.440 4.470 0.000 0.000 0.235 230 S C 1.079 175.684 174.600 0.009 0.000 0.997 230 S CA 0.972 59.177 58.200 0.008 0.000 0.949 230 S CB -0.089 63.110 63.200 -0.002 0.000 0.766 230 S HN 0.668 nan 8.310 nan 0.000 0.517 231 G N 0.043 108.848 108.800 0.008 0.000 2.182 231 G HA2 -0.160 3.800 3.960 0.000 0.000 0.248 231 G HA3 -0.160 3.800 3.960 0.000 0.000 0.248 231 G C 0.389 175.288 174.900 -0.001 0.000 1.042 231 G CA 0.198 45.300 45.100 0.004 0.000 0.775 231 G HN 0.903 nan 8.290 nan 0.000 0.501 232 A N -0.997 121.819 122.820 -0.007 0.000 2.390 232 A HA 0.655 4.975 4.320 0.000 0.000 0.232 232 A C 2.137 179.715 177.584 -0.010 0.000 1.233 232 A CA 1.329 53.367 52.037 0.001 0.000 0.907 232 A CB 0.237 19.246 19.000 0.016 0.000 0.967 232 A HN 0.907 nan 8.150 nan 0.000 0.512 233 V N 1.186 121.082 119.914 -0.031 0.000 2.237 233 V HA -0.161 3.959 4.120 0.000 0.000 0.245 233 V C -0.083 175.995 176.094 -0.028 0.000 1.046 233 V CA 2.686 64.960 62.300 -0.043 0.000 1.007 233 V CB -1.427 30.352 31.823 -0.072 0.000 0.638 233 V HN 0.354 nan 8.190 nan 0.000 0.445 234 P HA -0.205 nan 4.420 nan 0.000 0.215 234 P C 1.671 178.970 177.300 -0.002 0.000 1.157 234 P CA 2.292 65.388 63.100 -0.008 0.000 0.874 234 P CB -0.207 31.493 31.700 -0.001 0.000 0.790 235 A N -0.968 121.854 122.820 0.003 0.000 1.902 235 A HA -0.165 4.155 4.320 0.000 0.000 0.217 235 A C 2.258 179.850 177.584 0.014 0.000 1.181 235 A CA 1.397 53.440 52.037 0.010 0.000 0.623 235 A CB -1.569 17.441 19.000 0.015 0.000 0.818 235 A HN 0.117 nan 8.150 nan 0.000 0.443 236 I N -1.035 119.541 120.570 0.010 0.000 2.226 236 I HA -0.247 3.923 4.170 0.000 0.000 0.245 236 I C 2.716 178.831 176.117 -0.003 0.000 1.100 236 I CA 1.667 62.975 61.300 0.013 0.000 1.374 236 I CB -0.281 37.721 38.000 0.004 0.000 1.057 236 I HN 0.396 nan 8.210 nan 0.000 0.413 237 R N 1.293 121.780 120.500 -0.023 0.000 2.073 237 R HA -0.182 4.158 4.340 0.000 0.000 0.234 237 R C 2.370 178.670 176.300 -0.001 0.000 1.134 237 R CA 1.671 57.746 56.100 -0.042 0.000 0.952 237 R CB -0.279 29.989 30.300 -0.052 0.000 0.850 237 R HN 0.333 nan 8.270 nan 0.000 0.433 238 A N 1.125 123.952 122.820 0.013 0.000 1.933 238 A HA -0.165 4.155 4.320 0.000 0.000 0.218 238 A C 2.048 179.648 177.584 0.028 0.000 1.175 238 A CA 1.362 53.413 52.037 0.024 0.000 0.628 238 A CB -0.607 18.403 19.000 0.016 0.000 0.814 238 A HN 0.421 nan 8.150 nan 0.000 0.444 239 L N -0.282 120.960 121.223 0.031 0.000 2.017 239 L HA -0.033 4.307 4.340 0.000 0.000 0.208 239 L C 2.659 179.564 176.870 0.058 0.000 1.073 239 L CA 2.316 57.185 54.840 0.049 0.000 0.745 239 L CB -0.821 41.288 42.059 0.083 0.000 0.894 239 L HN 0.318 nan 8.230 nan 0.000 0.432 240 A N -0.710 122.138 122.820 0.046 0.000 1.877 240 A HA -0.232 4.088 4.320 0.000 0.000 0.216 240 A C 2.168 179.789 177.584 0.062 0.000 1.186 240 A CA 1.886 53.948 52.037 0.042 0.000 0.620 240 A CB -0.725 18.275 19.000 0.000 0.000 0.822 240 A HN 0.624 nan 8.150 nan 0.000 0.443 241 E N -0.909 119.336 120.200 0.075 0.000 2.077 241 E HA -0.211 4.140 4.350 0.000 0.000 0.193 241 E C 2.297 178.942 176.600 0.075 0.000 0.989 241 E CA 1.247 57.713 56.400 0.110 0.000 0.800 241 E CB -0.173 29.608 29.700 0.135 0.000 0.746 241 E HN 0.623 nan 8.360 nan 0.000 0.452 242 R N 0.717 121.250 120.500 0.055 0.000 2.081 242 R HA -0.091 4.249 4.340 0.000 0.000 0.235 242 R C 1.737 178.066 176.300 0.048 0.000 1.131 242 R CA 1.138 57.262 56.100 0.041 0.000 0.960 242 R CB 0.030 30.343 30.300 0.021 0.000 0.856 242 R HN 0.162 nan 8.270 nan 0.000 0.436 243 L N 0.309 121.567 121.223 0.059 0.000 2.693 243 L HA 0.161 4.501 4.340 0.000 0.000 0.235 243 L C 0.049 176.962 176.870 0.072 0.000 1.127 243 L CA -0.244 54.640 54.840 0.072 0.000 0.914 243 L CB 0.149 42.263 42.059 0.092 0.000 1.193 243 L HN 0.301 nan 8.230 nan 0.000 0.502 244 N N 1.436 120.177 118.700 0.069 0.000 2.738 244 N HA -0.210 4.530 4.740 0.000 0.000 0.249 244 N C -0.580 174.963 175.510 0.054 0.000 1.047 244 N CA 0.464 53.556 53.050 0.069 0.000 0.707 244 N CB -1.191 37.338 38.487 0.071 0.000 0.937 244 N HN 0.322 nan 8.380 nan 0.000 0.545 245 I N 0.571 121.164 120.570 0.040 0.000 2.304 245 I HA 0.339 4.509 4.170 0.000 0.000 0.291 245 I C -1.809 174.261 176.117 -0.078 0.000 1.018 245 I CA -2.032 59.272 61.300 0.006 0.000 1.260 245 I CB 1.245 39.271 38.000 0.043 0.000 1.390 245 I HN 0.007 nan 8.210 nan 0.000 0.475 246 P HA 0.064 nan 4.420 nan 0.000 0.268 246 P C -0.766 176.384 177.300 -0.250 0.000 1.208 246 P CA -0.121 62.687 63.100 -0.486 0.000 0.777 246 P CB 0.673 31.663 31.700 -1.183 0.000 0.875 247 V N 4.224 124.033 119.914 -0.174 0.000 2.407 247 V HA 0.382 4.502 4.120 0.000 0.000 0.291 247 V C 0.229 176.330 176.094 0.011 0.000 1.018 247 V CA -0.321 61.944 62.300 -0.058 0.000 0.842 247 V CB 1.074 32.866 31.823 -0.052 0.000 0.996 247 V HN 0.377 nan 8.190 nan 0.000 0.426 248 I N 4.248 124.842 120.570 0.041 0.000 2.562 248 I HA 0.702 4.872 4.170 0.000 0.000 0.301 248 I C 0.364 176.544 176.117 0.104 0.000 1.003 248 I CA -0.288 61.068 61.300 0.093 0.000 1.127 248 I CB 2.514 40.584 38.000 0.117 0.000 1.304 248 I HN 0.725 nan 8.210 nan 0.000 0.446 249 T N -0.258 114.367 114.554 0.118 0.000 2.916 249 T HA 0.550 4.900 4.350 0.000 0.000 0.292 249 T C 0.021 174.814 174.700 0.156 0.000 1.064 249 T CA -0.754 61.417 62.100 0.118 0.000 1.011 249 T CB 1.636 70.563 68.868 0.098 0.000 1.152 249 T HN 0.690 nan 8.240 nan 0.000 0.510 250 T N 0.172 114.804 114.554 0.129 0.000 2.698 250 T HA 0.190 4.540 4.350 0.000 0.000 0.295 250 T C 0.956 175.798 174.700 0.237 0.000 1.007 250 T CA -0.387 61.775 62.100 0.103 0.000 0.980 250 T CB -0.102 68.761 68.868 -0.008 0.000 1.036 250 T HN 0.536 nan 8.240 nan 0.000 0.526 251 Y N 0.780 121.171 120.300 0.152 0.000 2.081 251 Y HA -0.055 4.495 4.550 0.000 0.000 0.280 251 Y C 2.435 178.519 175.900 0.308 0.000 1.163 251 Y CA 1.072 59.306 58.100 0.223 0.000 1.135 251 Y CB -1.356 37.243 38.460 0.233 0.000 0.970 251 Y HN 0.696 nan 8.280 nan 0.000 0.498 252 I N -2.634 118.174 120.570 0.395 0.000 3.793 252 I HA 0.377 4.548 4.170 0.000 0.000 0.315 252 I C 1.741 178.060 176.117 0.336 0.000 1.275 252 I CA 0.839 62.372 61.300 0.388 0.000 1.214 252 I CB -0.365 37.831 38.000 0.327 0.000 1.018 252 I HN 0.012 nan 8.210 nan 0.000 0.439 253 A N 0.997 123.946 122.820 0.215 0.000 2.278 253 A HA 0.196 4.516 4.320 0.000 0.000 0.212 253 A C 0.915 178.549 177.584 0.084 0.000 1.213 253 A CA -0.215 51.877 52.037 0.092 0.000 0.840 253 A CB -0.400 18.636 19.000 0.060 0.000 0.866 253 A HN 0.367 nan 8.150 nan 0.000 0.489 254 K N -0.364 120.131 120.400 0.159 0.000 2.484 254 K HA 0.315 4.635 4.320 0.000 0.000 0.280 254 K C 1.117 177.772 176.600 0.091 0.000 1.013 254 K CA 0.933 57.294 56.287 0.124 0.000 1.029 254 K CB 0.139 32.731 32.500 0.154 0.000 0.902 254 K HN 0.584 nan 8.250 nan 0.000 0.481 255 G N 0.869 109.698 108.800 0.048 0.000 2.159 255 G HA2 -0.282 3.678 3.960 0.000 0.000 0.227 255 G HA3 -0.282 3.678 3.960 0.000 0.000 0.227 255 G C 0.683 175.570 174.900 -0.021 0.000 0.986 255 G CA 0.172 45.287 45.100 0.025 0.000 0.651 255 G HN 0.515 nan 8.290 nan 0.000 0.523 256 V N -1.693 118.197 119.914 -0.041 0.000 2.626 256 V HA 0.370 4.490 4.120 0.000 0.000 0.252 256 V C 1.352 177.400 176.094 -0.075 0.000 1.067 256 V CA 1.482 63.740 62.300 -0.070 0.000 1.081 256 V CB -0.385 31.396 31.823 -0.069 0.000 0.686 256 V HN 0.448 nan 8.190 nan 0.000 0.468 257 L N 0.408 121.586 121.223 -0.074 0.000 2.334 257 L HA 0.578 4.918 4.340 0.000 0.000 0.273 257 L C -2.474 174.389 176.870 -0.012 0.000 1.013 257 L CA -2.242 52.532 54.840 -0.109 0.000 0.816 257 L CB 1.739 43.666 42.059 -0.220 0.000 1.278 257 L HN -0.034 nan 8.230 nan 0.000 0.431 258 P HA 0.006 nan 4.420 nan 0.000 0.268 258 P C -0.531 176.825 177.300 0.093 0.000 1.208 258 P CA -0.351 62.794 63.100 0.074 0.000 0.777 258 P CB 0.427 32.187 31.700 0.101 0.000 0.875 259 V N 2.197 122.154 119.914 0.072 0.000 2.617 259 V HA 0.227 4.348 4.120 0.000 0.000 0.304 259 V C 1.708 177.848 176.094 0.077 0.000 1.040 259 V CA 2.076 64.417 62.300 0.068 0.000 1.149 259 V CB -0.474 31.381 31.823 0.054 0.000 0.914 259 V HN 1.056 nan 8.190 nan 0.000 0.487 260 G N 2.810 111.657 108.800 0.078 0.000 2.284 260 G HA2 -0.239 3.721 3.960 0.000 0.000 0.230 260 G HA3 -0.239 3.721 3.960 0.000 0.000 0.230 260 G C 0.398 175.348 174.900 0.083 0.000 1.021 260 G CA 0.202 45.340 45.100 0.063 0.000 0.619 260 G HN 0.895 nan 8.290 nan 0.000 0.510 261 H N 2.770 121.861 119.070 0.036 0.000 3.094 261 H HA 0.124 4.680 4.556 0.000 0.000 0.320 261 H C 1.939 177.305 175.328 0.064 0.000 1.000 261 H CA 1.230 57.305 56.048 0.045 0.000 1.413 261 H CB 0.772 30.561 29.762 0.045 0.000 1.405 261 H HN 0.657 nan 8.280 nan 0.000 0.586 262 E N 5.025 125.244 120.200 0.031 0.000 2.338 262 E HA -0.112 4.238 4.350 0.000 0.000 0.197 262 E C 0.796 177.593 176.600 0.328 0.000 1.007 262 E CA 0.781 57.257 56.400 0.126 0.000 0.849 262 E CB 0.061 29.775 29.700 0.023 0.000 0.774 262 E HN 0.646 nan 8.360 nan 0.000 0.506 263 L N 1.033 122.568 121.223 0.520 0.000 2.628 263 L HA 0.161 4.501 4.340 0.000 0.000 0.229 263 L C 0.902 177.934 176.870 0.270 0.000 1.137 263 L CA -0.380 54.663 54.840 0.339 0.000 0.909 263 L CB -0.105 42.073 42.059 0.198 0.000 1.137 263 L HN -0.018 nan 8.230 nan 0.000 0.470 264 N N 0.231 119.112 118.700 0.302 0.000 2.605 264 N HA -0.054 4.686 4.740 0.000 0.000 0.258 264 N C 0.284 175.956 175.510 0.270 0.000 1.156 264 N CA 0.089 53.258 53.050 0.197 0.000 1.008 264 N CB 0.263 38.837 38.487 0.143 0.000 1.354 264 N HN 0.067 nan 8.380 nan 0.000 0.509 265 Y N 1.572 121.867 120.300 -0.008 0.000 2.490 265 Y HA 0.245 4.795 4.550 0.000 0.000 0.281 265 Y C 1.698 177.562 175.900 -0.059 0.000 1.174 265 Y CA 0.286 58.360 58.100 -0.044 0.000 1.295 265 Y CB -0.302 38.124 38.460 -0.057 0.000 1.062 265 Y HN 0.609 nan 8.280 nan 0.000 0.522 266 G N -0.139 108.714 108.800 0.087 0.000 2.710 266 G HA2 0.158 4.118 3.960 0.000 0.000 0.668 266 G HA3 0.158 4.118 3.960 0.000 0.000 0.668 266 G C -0.639 174.285 174.900 0.040 0.000 1.320 266 G CA -0.741 44.369 45.100 0.017 0.000 0.860 266 G HN 0.499 nan 8.290 nan 0.000 0.538 267 A N -1.125 121.704 122.820 0.016 0.000 2.269 267 A HA 0.873 5.193 4.320 0.000 0.000 0.319 267 A C 0.206 177.848 177.584 0.097 0.000 1.110 267 A CA 0.014 52.098 52.037 0.079 0.000 0.847 267 A CB 1.613 20.660 19.000 0.078 0.000 1.161 267 A HN 1.897 nan 8.150 nan 0.000 0.497 268 V N 0.588 120.621 119.914 0.199 0.000 2.483 268 V HA 0.697 4.817 4.120 0.000 0.000 0.295 268 V C 0.302 176.591 176.094 0.324 0.000 1.035 268 V CA -0.132 62.309 62.300 0.235 0.000 0.896 268 V CB 1.584 33.600 31.823 0.321 0.000 0.986 268 V HN 1.041 nan 8.190 nan 0.000 0.447 269 T N 2.281 116.985 114.554 0.248 0.000 2.912 269 T HA 0.504 4.854 4.350 0.000 0.000 0.299 269 T C 1.149 175.952 174.700 0.171 0.000 1.052 269 T CA 0.262 62.556 62.100 0.323 0.000 0.996 269 T CB 1.704 70.726 68.868 0.256 0.000 1.070 269 T HN 0.841 nan 8.240 nan 0.000 0.465 270 G N 1.581 110.460 108.800 0.131 0.000 2.501 270 G HA2 -0.136 3.824 3.960 0.000 0.000 0.220 270 G HA3 -0.136 3.824 3.960 0.000 0.000 0.220 270 G C 0.686 175.524 174.900 -0.104 0.000 1.114 270 G CA 0.758 45.840 45.100 -0.030 0.000 0.757 270 G HN 0.812 nan 8.290 nan 0.000 0.559 271 Y N 0.591 120.839 120.300 -0.087 0.000 2.529 271 Y HA 0.128 4.678 4.550 0.000 0.000 0.290 271 Y C 2.836 178.729 175.900 -0.013 0.000 1.177 271 Y CA 0.642 58.767 58.100 0.041 0.000 1.305 271 Y CB -0.197 38.206 38.460 -0.096 0.000 1.047 271 Y HN 0.290 nan 8.280 nan 0.000 0.522 272 M N -1.331 118.285 119.600 0.027 0.000 2.175 272 M HA -0.124 4.356 4.480 0.000 0.000 0.264 272 M C 0.867 177.086 176.300 -0.135 0.000 1.063 272 M CA 1.903 57.146 55.300 -0.096 0.000 1.119 272 M CB -0.322 32.220 32.600 -0.096 0.000 1.377 272 M HN -0.048 nan 8.290 nan 0.000 0.415 273 D N 1.416 121.743 120.400 -0.123 0.000 2.117 273 D HA -0.043 4.597 4.640 0.000 0.000 0.197 273 D C 2.307 178.442 176.300 -0.274 0.000 0.987 273 D CA 1.877 55.789 54.000 -0.146 0.000 0.829 273 D CB -0.599 40.120 40.800 -0.136 0.000 0.961 273 D HN 0.613 nan 8.370 nan 0.000 0.460 274 G N 0.222 108.681 108.800 -0.567 0.000 2.421 274 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 274 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 274 G C 1.747 176.404 174.900 -0.405 0.000 1.143 274 G CA 0.108 44.558 45.100 -1.083 0.000 0.784 274 G HN 0.248 nan 8.290 nan 0.000 0.541 275 I N 0.097 120.580 120.570 -0.144 0.000 2.333 275 I HA 0.018 4.188 4.170 0.000 0.000 0.246 275 I C 2.307 178.340 176.117 -0.140 0.000 1.106 275 I CA 0.678 61.954 61.300 -0.040 0.000 1.411 275 I CB -0.003 37.782 38.000 -0.358 0.000 1.082 275 I HN 0.083 nan 8.210 nan 0.000 0.420 276 L N 0.196 121.260 121.223 -0.264 0.000 2.558 276 L HA 0.045 4.385 4.340 0.000 0.000 0.225 276 L C 0.549 177.456 176.870 0.062 0.000 1.128 276 L CA 0.023 54.646 54.840 -0.363 0.000 0.868 276 L CB -0.486 41.352 42.059 -0.368 0.000 1.006 276 L HN 0.366 nan 8.230 nan 0.000 0.454 277 N N 0.679 119.424 118.700 0.076 0.000 2.705 277 N HA -0.301 4.439 4.740 0.000 0.000 0.255 277 N C -0.843 174.785 175.510 0.197 0.000 1.008 277 N CA 0.568 53.688 53.050 0.116 0.000 0.742 277 N CB -1.048 37.550 38.487 0.183 0.000 0.906 277 N HN 0.289 nan 8.380 nan 0.000 0.541 278 F N -0.113 119.801 119.950 -0.059 0.000 2.665 278 F HA 0.461 4.988 4.527 0.000 0.000 0.308 278 F C -2.280 173.481 175.800 -0.066 0.000 1.112 278 F CA -1.687 56.285 58.000 -0.047 0.000 0.972 278 F CB 1.663 40.634 39.000 -0.049 0.000 1.295 278 F HN -0.035 nan 8.300 nan 0.000 0.440 279 P HA 0.191 nan 4.420 nan 0.000 0.241 279 P C -0.165 177.070 177.300 -0.109 0.000 1.760 279 P CA 0.406 63.316 63.100 -0.318 0.000 1.081 279 P CB 0.366 31.839 31.700 -0.378 0.000 1.975 280 A N 2.587 125.488 122.820 0.135 0.000 1.872 280 A HA -0.090 4.230 4.320 0.000 0.000 0.214 280 A C 2.101 179.758 177.584 0.120 0.000 1.187 280 A CA 0.965 53.138 52.037 0.226 0.000 0.614 280 A CB -1.081 18.000 19.000 0.136 0.000 0.826 280 A HN 0.332 nan 8.150 nan 0.000 0.442 281 L N -0.948 120.344 121.223 0.115 0.000 2.046 281 L HA -0.248 4.093 4.340 0.000 0.000 0.208 281 L C 2.863 179.872 176.870 0.232 0.000 1.077 281 L CA 1.785 56.755 54.840 0.217 0.000 0.747 281 L CB -0.493 41.687 42.059 0.200 0.000 0.896 281 L HN 0.472 nan 8.230 nan 0.000 0.432 282 Q N -0.202 119.670 119.800 0.120 0.000 2.096 282 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 282 Q C 2.083 178.140 176.000 0.096 0.000 0.982 282 Q CA 2.455 58.314 55.803 0.092 0.000 0.850 282 Q CB -0.234 28.506 28.738 0.003 0.000 0.901 282 Q HN 0.364 nan 8.270 nan 0.000 0.422 283 T N 0.035 114.631 114.554 0.071 0.000 2.777 283 T HA -0.141 4.209 4.350 0.000 0.000 0.266 283 T C 1.605 176.343 174.700 0.063 0.000 1.040 283 T CA 1.415 63.559 62.100 0.072 0.000 1.141 283 T CB -0.276 68.673 68.868 0.136 0.000 0.868 283 T HN 0.315 nan 8.240 nan 0.000 0.444 284 M N 0.080 119.686 119.600 0.011 0.000 2.149 284 M HA 0.006 4.486 4.480 0.000 0.000 0.261 284 M C 0.760 176.960 176.300 -0.167 0.000 1.064 284 M CA 1.798 56.996 55.300 -0.169 0.000 1.102 284 M CB -0.200 32.163 32.600 -0.396 0.000 1.369 284 M HN 0.226 nan 8.290 nan 0.000 0.408 285 F N -2.124 117.953 119.950 0.210 0.000 2.834 285 F HA 0.468 4.995 4.527 0.000 0.000 0.332 285 F C 1.952 177.805 175.800 0.089 0.000 1.056 285 F CA 0.114 58.203 58.000 0.150 0.000 1.178 285 F CB -1.004 38.094 39.000 0.163 0.000 1.037 285 F HN 0.082 nan 8.300 nan 0.000 0.580 286 A N 1.716 124.679 122.820 0.238 0.000 1.873 286 A HA -0.158 4.162 4.320 0.000 0.000 0.218 286 A C -0.441 177.203 177.584 0.100 0.000 1.193 286 A CA 2.212 54.336 52.037 0.145 0.000 0.629 286 A CB -2.018 17.039 19.000 0.094 0.000 0.826 286 A HN 0.202 nan 8.150 nan 0.000 0.447 287 P HA 0.184 nan 4.420 nan 0.000 0.255 287 P C -0.120 177.162 177.300 -0.031 0.000 1.248 287 P CA 0.167 63.266 63.100 -0.001 0.000 0.807 287 P CB -0.024 31.627 31.700 -0.083 0.000 1.150 288 V N 3.162 123.051 119.914 -0.042 0.000 2.572 288 V HA 0.020 4.140 4.120 0.000 0.000 0.291 288 V C 1.442 177.568 176.094 0.052 0.000 1.039 288 V CA 0.733 63.004 62.300 -0.048 0.000 1.055 288 V CB 0.813 32.624 31.823 -0.019 0.000 0.969 288 V HN 0.161 nan 8.190 nan 0.000 0.482 289 D N 3.068 123.503 120.400 0.058 0.000 2.449 289 D HA 0.157 4.797 4.640 0.000 0.000 0.210 289 D C -0.080 176.241 176.300 0.034 0.000 1.094 289 D CA -0.078 53.956 54.000 0.056 0.000 0.846 289 D CB 0.618 41.455 40.800 0.061 0.000 1.003 289 D HN 0.314 nan 8.370 nan 0.000 0.504 290 L N 1.063 122.296 121.223 0.016 0.000 2.476 290 L HA 0.474 4.814 4.340 0.000 0.000 0.269 290 L C -1.741 175.096 176.870 -0.055 0.000 0.965 290 L CA -0.923 53.914 54.840 -0.005 0.000 0.845 290 L CB 2.284 44.359 42.059 0.027 0.000 1.259 290 L HN -0.185 nan 8.230 nan 0.000 0.403 291 V N 6.473 126.298 119.914 -0.149 0.000 2.334 291 V HA 0.437 4.557 4.120 0.000 0.000 0.281 291 V C -0.340 175.581 176.094 -0.288 0.000 1.016 291 V CA -0.387 61.734 62.300 -0.298 0.000 0.832 291 V CB 1.395 32.780 31.823 -0.729 0.000 0.999 291 V HN 0.555 nan 8.190 nan 0.000 0.439 292 L N 5.211 126.313 121.223 -0.201 0.000 2.264 292 L HA 0.412 4.752 4.340 0.000 0.000 0.287 292 L C 0.809 177.555 176.870 -0.208 0.000 1.039 292 L CA -0.035 54.692 54.840 -0.188 0.000 0.829 292 L CB 1.427 43.412 42.059 -0.124 0.000 1.211 292 L HN 0.746 nan 8.230 nan 0.000 0.427 293 T N 0.433 114.844 114.554 -0.237 0.000 2.875 293 T HA 0.424 4.774 4.350 0.000 0.000 0.307 293 T C 0.032 174.698 174.700 -0.057 0.000 1.013 293 T CA -0.707 61.311 62.100 -0.136 0.000 0.970 293 T CB 0.111 68.874 68.868 -0.174 0.000 0.986 293 T HN 0.139 nan 8.240 nan 0.000 0.536 294 V N 3.554 123.435 119.914 -0.056 0.000 2.408 294 V HA 0.574 4.694 4.120 0.000 0.000 0.267 294 V C 1.436 177.522 176.094 -0.012 0.000 1.047 294 V CA 0.167 62.421 62.300 -0.078 0.000 0.937 294 V CB 0.009 31.808 31.823 -0.040 0.000 0.999 294 V HN 1.272 nan 8.190 nan 0.000 0.472 295 G N 3.895 112.680 108.800 -0.025 0.000 2.256 295 G HA2 -0.310 3.650 3.960 0.000 0.000 0.272 295 G HA3 -0.310 3.650 3.960 0.000 0.000 0.272 295 G C -0.231 174.705 174.900 0.060 0.000 1.076 295 G CA 0.038 45.143 45.100 0.008 0.000 0.882 295 G HN 0.898 nan 8.290 nan 0.000 0.497 296 Y N 0.879 121.177 120.300 -0.005 0.000 2.497 296 Y HA 0.479 5.029 4.550 0.000 0.000 0.334 296 Y C 0.193 176.141 175.900 0.079 0.000 1.199 296 Y CA 0.137 58.273 58.100 0.060 0.000 1.425 296 Y CB 1.238 39.782 38.460 0.139 0.000 1.291 296 Y HN 0.249 nan 8.280 nan 0.000 0.562 297 D N 4.473 124.418 120.400 -0.759 0.000 2.613 297 D HA 0.017 4.657 4.640 0.000 0.000 0.230 297 D C -0.214 175.709 176.300 -0.628 0.000 1.365 297 D CA -0.521 53.197 54.000 -0.469 0.000 0.976 297 D CB 0.141 40.819 40.800 -0.204 0.000 1.415 297 D HN 0.539 nan 8.370 nan 0.000 0.589 298 Y N 3.559 123.535 120.300 -0.541 0.000 2.298 298 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 298 Y C 1.901 177.690 175.900 -0.185 0.000 1.164 298 Y CA 2.179 60.128 58.100 -0.252 0.000 1.229 298 Y CB -0.149 38.317 38.460 0.011 0.000 0.977 298 Y HN 0.543 nan 8.280 nan 0.000 0.538 299 A N -0.182 122.550 122.820 -0.147 0.000 1.969 299 A HA -0.169 4.151 4.320 0.000 0.000 0.218 299 A C 2.061 179.507 177.584 -0.230 0.000 1.169 299 A CA 1.543 53.473 52.037 -0.179 0.000 0.635 299 A CB -0.567 18.375 19.000 -0.097 0.000 0.810 299 A HN 0.592 nan 8.150 nan 0.000 0.445 300 E N -1.365 118.681 120.200 -0.257 0.000 2.333 300 E HA -0.142 4.208 4.350 0.000 0.000 0.198 300 E C 0.131 176.484 176.600 -0.412 0.000 1.007 300 E CA 0.590 56.802 56.400 -0.314 0.000 0.845 300 E CB -0.070 29.462 29.700 -0.279 0.000 0.766 300 E HN 0.515 nan 8.360 nan 0.000 0.507 301 D N -0.846 119.350 120.400 -0.339 0.000 3.099 301 D HA -0.154 4.486 4.640 0.000 0.000 0.213 301 D C -0.976 175.225 176.300 -0.165 0.000 1.121 301 D CA 0.229 54.058 54.000 -0.285 0.000 0.951 301 D CB -0.939 39.748 40.800 -0.189 0.000 1.102 301 D HN 0.067 nan 8.370 nan 0.000 0.423 302 L N 1.780 122.938 121.223 -0.108 0.000 2.312 302 L HA 0.393 4.733 4.340 0.000 0.000 0.287 302 L C 0.171 177.148 176.870 0.178 0.000 1.091 302 L CA 0.210 55.098 54.840 0.080 0.000 0.846 302 L CB 0.004 42.166 42.059 0.171 0.000 1.219 302 L HN 0.002 nan 8.230 nan 0.000 0.439 303 R N 5.719 126.228 120.500 0.016 0.000 2.536 303 R HA 0.394 4.734 4.340 0.000 0.000 0.279 303 R C -1.632 174.311 176.300 -0.595 0.000 1.001 303 R CA -1.734 54.328 56.100 -0.063 0.000 1.027 303 R CB 0.431 30.703 30.300 -0.047 0.000 1.096 303 R HN 0.332 nan 8.270 nan 0.000 0.502 304 P HA -0.229 nan 4.420 nan 0.000 0.217 304 P C 1.153 177.614 177.300 -1.399 0.000 1.148 304 P CA 1.534 63.358 63.100 -2.127 0.000 0.828 304 P CB 0.120 31.089 31.700 -1.219 0.000 0.783 305 S N -1.913 113.366 115.700 -0.702 0.000 2.447 305 S HA -0.119 4.351 4.470 0.000 0.000 0.233 305 S C 1.866 176.228 174.600 -0.397 0.000 1.006 305 S CA 1.037 58.968 58.200 -0.450 0.000 0.957 305 S CB -1.243 61.803 63.200 -0.256 0.000 0.773 305 S HN 0.085 nan 8.310 nan 0.000 0.507 306 M N 0.238 119.589 119.600 -0.415 0.000 2.254 306 M HA 0.097 4.577 4.480 0.000 0.000 0.265 306 M C 1.839 177.964 176.300 -0.292 0.000 1.066 306 M CA 1.386 56.549 55.300 -0.228 0.000 1.123 306 M CB -0.331 32.218 32.600 -0.085 0.000 1.388 306 M HN 0.789 nan 8.290 nan 0.000 0.425 307 W N -0.277 120.690 121.300 -0.556 0.000 3.278 307 W HA 0.243 4.903 4.660 0.000 0.000 0.308 307 W C 0.004 176.213 176.519 -0.516 0.000 1.253 307 W CA -0.351 56.327 57.345 -1.111 0.000 1.759 307 W CB -0.744 27.844 29.460 -1.453 0.000 1.093 307 W HN -0.003 nan 8.180 nan 0.000 0.648 308 Q N 2.534 122.124 119.800 -0.349 0.000 3.027 308 Q HA 0.153 4.493 4.340 0.000 0.000 0.260 308 Q C -0.380 175.586 176.000 -0.056 0.000 1.379 308 Q CA 0.369 56.079 55.803 -0.154 0.000 1.038 308 Q CB 0.033 28.617 28.738 -0.256 0.000 1.578 308 Q HN -0.085 nan 8.270 nan 0.000 0.571 309 K N 0.330 120.752 120.400 0.038 0.000 2.378 309 K HA 0.582 4.902 4.320 0.000 0.000 0.252 309 K C 0.358 177.012 176.600 0.090 0.000 0.931 309 K CA -0.049 56.280 56.287 0.069 0.000 0.794 309 K CB 2.079 34.659 32.500 0.133 0.000 1.181 309 K HN 0.491 nan 8.250 nan 0.000 0.425 310 G N 2.661 111.496 108.800 0.058 0.000 2.536 310 G HA2 -0.314 3.646 3.960 0.000 0.000 0.280 310 G HA3 -0.314 3.646 3.960 0.000 0.000 0.280 310 G C 0.253 175.184 174.900 0.050 0.000 1.152 310 G CA 0.130 45.263 45.100 0.054 0.000 0.970 310 G HN 0.765 nan 8.290 nan 0.000 0.549 311 I N -0.204 120.401 120.570 0.058 0.000 3.004 311 I HA 0.564 4.734 4.170 0.000 0.000 0.287 311 I C 0.457 176.608 176.117 0.057 0.000 1.144 311 I CA -0.593 60.739 61.300 0.052 0.000 1.353 311 I CB 0.475 38.508 38.000 0.055 0.000 1.417 311 I HN 0.466 nan 8.210 nan 0.000 0.602 312 E N 3.196 123.425 120.200 0.048 0.000 2.392 312 E HA 0.213 4.563 4.350 0.000 0.000 0.264 312 E C -0.860 175.776 176.600 0.060 0.000 1.024 312 E CA 0.142 56.572 56.400 0.050 0.000 0.903 312 E CB 0.928 30.651 29.700 0.037 0.000 0.963 312 E HN 0.482 nan 8.360 nan 0.000 0.432 313 K N 1.751 122.195 120.400 0.073 0.000 2.375 313 K HA 0.347 4.667 4.320 0.000 0.000 0.249 313 K C -0.330 176.310 176.600 0.067 0.000 0.942 313 K CA -0.811 55.520 56.287 0.073 0.000 0.806 313 K CB 1.809 34.369 32.500 0.100 0.000 1.227 313 K HN 0.076 nan 8.250 nan 0.000 0.430 314 K N 1.325 121.751 120.400 0.043 0.000 2.110 314 K HA 0.373 4.693 4.320 0.000 0.000 0.263 314 K C -0.312 176.296 176.600 0.014 0.000 0.975 314 K CA -0.499 55.810 56.287 0.037 0.000 0.895 314 K CB 1.729 34.248 32.500 0.031 0.000 1.060 314 K HN 0.830 nan 8.250 nan 0.000 0.448 315 T N -2.301 112.268 114.554 0.024 0.000 2.876 315 T HA 0.531 4.881 4.350 0.000 0.000 0.289 315 T C -0.392 174.286 174.700 -0.037 0.000 1.014 315 T CA -0.842 61.252 62.100 -0.010 0.000 0.986 315 T CB 1.356 70.312 68.868 0.148 0.000 1.021 315 T HN 0.124 nan 8.240 nan 0.000 0.458 316 V N 2.865 122.727 119.914 -0.088 0.000 2.409 316 V HA 0.554 4.674 4.120 0.000 0.000 0.291 316 V C 0.268 176.260 176.094 -0.170 0.000 1.020 316 V CA -0.989 61.236 62.300 -0.125 0.000 0.848 316 V CB 1.395 33.145 31.823 -0.123 0.000 0.990 316 V HN 0.978 nan 8.190 nan 0.000 0.430 317 R N 4.334 124.713 120.500 -0.202 0.000 2.297 317 R HA 0.711 5.051 4.340 0.000 0.000 0.308 317 R C -1.412 174.735 176.300 -0.255 0.000 1.029 317 R CA -0.463 55.526 56.100 -0.186 0.000 0.929 317 R CB 0.891 31.023 30.300 -0.279 0.000 1.046 317 R HN 0.657 nan 8.270 nan 0.000 0.461 318 I N 2.577 122.988 120.570 -0.266 0.000 2.447 318 I HA 0.323 4.493 4.170 0.000 0.000 0.287 318 I C -0.634 175.370 176.117 -0.188 0.000 1.023 318 I CA -0.093 60.981 61.300 -0.377 0.000 1.083 318 I CB 2.112 39.664 38.000 -0.746 0.000 1.245 318 I HN 0.528 nan 8.210 nan 0.000 0.434 319 S N 6.519 122.126 115.700 -0.155 0.000 2.542 319 S HA 0.536 5.006 4.470 0.000 0.000 0.276 319 S C -2.724 171.815 174.600 -0.103 0.000 1.148 319 S CA -0.962 57.190 58.200 -0.080 0.000 0.886 319 S CB 2.038 65.237 63.200 -0.002 0.000 1.109 319 S HN 0.379 nan 8.310 nan 0.000 0.458 320 P HA 0.205 nan 4.420 nan 0.000 0.246 320 P C -0.293 176.971 177.300 -0.059 0.000 1.686 320 P CA 0.098 63.141 63.100 -0.095 0.000 0.867 320 P CB -1.004 30.647 31.700 -0.083 0.000 1.733 321 T N -4.215 110.311 114.554 -0.047 0.000 2.889 321 T HA 0.326 4.676 4.350 0.000 0.000 0.315 321 T C -0.468 174.217 174.700 -0.025 0.000 1.291 321 T CA -0.715 61.370 62.100 -0.025 0.000 1.028 321 T CB 1.066 69.931 68.868 -0.006 0.000 1.235 321 T HN -0.215 nan 8.240 nan 0.000 0.491 322 V N 2.813 122.716 119.914 -0.019 0.000 2.715 322 V HA 0.237 4.357 4.120 0.000 0.000 0.299 322 V C 1.044 177.130 176.094 -0.015 0.000 1.054 322 V CA -0.552 61.735 62.300 -0.021 0.000 1.077 322 V CB 0.515 32.328 31.823 -0.017 0.000 0.972 322 V HN 1.009 nan 8.190 nan 0.000 0.484 323 N N 7.147 125.829 118.700 -0.030 0.000 2.386 323 N HA 0.022 4.762 4.740 0.000 0.000 0.273 323 N C -0.989 174.512 175.510 -0.015 0.000 1.331 323 N CA -1.212 51.824 53.050 -0.024 0.000 0.891 323 N CB 0.849 39.284 38.487 -0.086 0.000 1.139 323 N HN 0.432 nan 8.380 nan 0.000 0.487 324 P HA 0.048 nan 4.420 nan 0.000 0.240 324 P C 0.209 177.498 177.300 -0.019 0.000 1.190 324 P CA 0.652 63.753 63.100 0.002 0.000 0.781 324 P CB -0.009 31.706 31.700 0.024 0.000 0.931 325 I N -3.696 116.850 120.570 -0.040 0.000 2.976 325 I HA 0.413 4.583 4.170 0.000 0.000 0.328 325 I C -1.959 174.103 176.117 -0.092 0.000 1.396 325 I CA -2.592 58.647 61.300 -0.102 0.000 0.869 325 I CB 1.186 39.025 38.000 -0.268 0.000 2.156 325 I HN -0.340 nan 8.210 nan 0.000 0.595 326 P HA -0.195 nan 4.420 nan 0.000 0.222 326 P C 1.533 178.799 177.300 -0.058 0.000 1.147 326 P CA 1.177 64.238 63.100 -0.066 0.000 0.790 326 P CB 0.108 31.772 31.700 -0.059 0.000 0.780 327 R N 0.108 120.571 120.500 -0.062 0.000 2.127 327 R HA -0.076 4.265 4.340 0.000 0.000 0.238 327 R C 1.653 177.915 176.300 -0.064 0.000 1.134 327 R CA 1.416 57.483 56.100 -0.056 0.000 0.975 327 R CB -0.228 30.041 30.300 -0.053 0.000 0.865 327 R HN 0.067 nan 8.270 nan 0.000 0.447 328 V N -1.194 118.661 119.914 -0.098 0.000 2.908 328 V HA 0.061 4.181 4.120 0.000 0.000 0.240 328 V C -0.186 175.885 176.094 -0.039 0.000 1.117 328 V CA 0.341 62.568 62.300 -0.121 0.000 1.133 328 V CB 0.192 31.836 31.823 -0.297 0.000 0.857 328 V HN 0.184 nan 8.190 nan 0.000 0.478 329 Y N 2.171 122.364 120.300 -0.180 0.000 2.332 329 Y HA 0.566 5.116 4.550 0.000 0.000 0.326 329 Y C -0.156 175.691 175.900 -0.087 0.000 0.978 329 Y CA -1.955 56.068 58.100 -0.128 0.000 1.205 329 Y CB 0.932 39.311 38.460 -0.135 0.000 1.131 329 Y HN 0.055 nan 8.280 nan 0.000 0.462 330 R N 7.443 127.958 120.500 0.024 0.000 2.396 330 R HA 0.314 4.654 4.340 0.000 0.000 0.292 330 R C -2.649 173.550 176.300 -0.168 0.000 1.240 330 R CA -1.698 54.326 56.100 -0.127 0.000 1.270 330 R CB 0.900 31.170 30.300 -0.049 0.000 1.108 330 R HN 0.461 nan 8.270 nan 0.000 0.573 331 P HA 0.014 nan 4.420 nan 0.000 0.268 331 P C -0.022 177.191 177.300 -0.145 0.000 1.205 331 P CA -0.145 62.757 63.100 -0.330 0.000 0.771 331 P CB 1.094 32.446 31.700 -0.582 0.000 0.858 332 D N 0.427 120.793 120.400 -0.057 0.000 2.178 332 D HA -0.039 4.601 4.640 0.000 0.000 0.201 332 D C 0.365 176.640 176.300 -0.042 0.000 0.980 332 D CA 1.426 55.407 54.000 -0.031 0.000 0.842 332 D CB 0.295 41.096 40.800 0.002 0.000 0.948 332 D HN 0.128 nan 8.370 nan 0.000 0.472 333 V N 1.071 120.947 119.914 -0.064 0.000 2.612 333 V HA 0.150 4.270 4.120 0.000 0.000 0.301 333 V C -0.930 175.099 176.094 -0.109 0.000 1.059 333 V CA -0.909 61.359 62.300 -0.053 0.000 0.886 333 V CB 2.599 34.420 31.823 -0.004 0.000 1.007 333 V HN -0.166 nan 8.190 nan 0.000 0.426 334 D N 3.545 123.884 120.400 -0.102 0.000 2.441 334 D HA 0.451 5.091 4.640 0.000 0.000 0.231 334 D C -0.685 175.565 176.300 -0.082 0.000 1.073 334 D CA -0.106 53.814 54.000 -0.134 0.000 0.850 334 D CB 1.909 42.625 40.800 -0.140 0.000 1.062 334 D HN 0.286 nan 8.370 nan 0.000 0.524 335 V N 4.298 124.139 119.914 -0.122 0.000 2.304 335 V HA 0.244 4.364 4.120 0.000 0.000 0.269 335 V C 0.388 176.410 176.094 -0.120 0.000 1.036 335 V CA -0.856 61.400 62.300 -0.073 0.000 0.840 335 V CB 1.267 33.008 31.823 -0.136 0.000 1.036 335 V HN 0.287 nan 8.190 nan 0.000 0.466 336 V N 4.895 124.775 119.914 -0.057 0.000 2.320 336 V HA 0.634 4.754 4.120 0.000 0.000 0.265 336 V C 0.347 176.322 176.094 -0.198 0.000 1.048 336 V CA 0.434 62.673 62.300 -0.101 0.000 0.865 336 V CB 0.658 32.452 31.823 -0.049 0.000 1.043 336 V HN 1.016 nan 8.190 nan 0.000 0.474 337 T N 2.562 116.922 114.554 -0.323 0.000 2.663 337 T HA 0.224 4.574 4.350 0.000 0.000 0.305 337 T C -1.632 172.829 174.700 -0.397 0.000 1.660 337 T CA -0.637 61.123 62.100 -0.567 0.000 0.976 337 T CB 1.658 69.731 68.868 -1.327 0.000 1.705 337 T HN 0.702 nan 8.240 nan 0.000 0.494 338 D N 0.599 120.753 120.400 -0.409 0.000 2.389 338 D HA 0.307 4.947 4.640 0.000 0.000 0.247 338 D C 1.517 177.714 176.300 -0.171 0.000 1.128 338 D CA 0.035 53.900 54.000 -0.225 0.000 0.884 338 D CB 0.950 41.648 40.800 -0.170 0.000 1.194 338 D HN 0.247 nan 8.370 nan 0.000 0.441 339 V N 3.770 123.635 119.914 -0.082 0.000 2.295 339 V HA -0.201 3.919 4.120 0.000 0.000 0.246 339 V C 2.177 178.315 176.094 0.072 0.000 1.049 339 V CA 1.376 63.674 62.300 -0.002 0.000 1.024 339 V CB -0.721 31.100 31.823 -0.005 0.000 0.648 339 V HN 0.616 nan 8.190 nan 0.000 0.447 340 L N 0.957 122.196 121.223 0.027 0.000 2.046 340 L HA -0.087 4.253 4.340 0.000 0.000 0.208 340 L C 2.473 179.374 176.870 0.051 0.000 1.077 340 L CA 2.360 57.223 54.840 0.038 0.000 0.747 340 L CB -1.071 41.000 42.059 0.021 0.000 0.896 340 L HN 0.227 nan 8.230 nan 0.000 0.432 341 A N -0.796 122.033 122.820 0.015 0.000 1.908 341 A HA -0.296 4.024 4.320 0.000 0.000 0.218 341 A C 2.288 179.961 177.584 0.147 0.000 1.181 341 A CA 2.011 54.077 52.037 0.048 0.000 0.627 341 A CB -1.248 17.677 19.000 -0.125 0.000 0.818 341 A HN 0.601 nan 8.150 nan 0.000 0.445 342 F N 0.741 120.635 119.950 -0.092 0.000 2.102 342 F HA -0.139 4.388 4.527 0.000 0.000 0.298 342 F C 2.138 178.053 175.800 0.191 0.000 1.105 342 F CA 2.022 60.068 58.000 0.077 0.000 1.239 342 F CB -0.491 38.461 39.000 -0.081 0.000 0.991 342 F HN 0.013 nan 8.300 nan 0.000 0.474 343 V N 0.868 120.721 119.914 -0.102 0.000 2.343 343 V HA -0.283 3.837 4.120 0.000 0.000 0.247 343 V C 2.313 178.363 176.094 -0.073 0.000 1.051 343 V CA 2.336 64.525 62.300 -0.185 0.000 1.036 343 V CB -0.762 31.068 31.823 0.012 0.000 0.654 343 V HN 0.381 nan 8.190 nan 0.000 0.451 344 E N -0.613 119.598 120.200 0.019 0.000 2.077 344 E HA -0.283 4.067 4.350 0.000 0.000 0.193 344 E C 2.126 178.763 176.600 0.062 0.000 0.989 344 E CA 1.692 58.119 56.400 0.044 0.000 0.800 344 E CB -0.233 29.511 29.700 0.075 0.000 0.746 344 E HN 0.804 nan 8.360 nan 0.000 0.452 345 H N -0.804 118.289 119.070 0.038 0.000 2.395 345 H HA -0.099 4.457 4.556 0.000 0.000 0.299 345 H C 1.779 177.075 175.328 -0.055 0.000 1.070 345 H CA 1.082 57.148 56.048 0.029 0.000 1.356 345 H CB 0.011 29.867 29.762 0.156 0.000 1.401 345 H HN 0.095 nan 8.280 nan 0.000 0.524 346 F N 1.320 121.180 119.950 -0.149 0.000 2.293 346 F HA -0.104 4.423 4.527 0.000 0.000 0.300 346 F C 2.169 177.809 175.800 -0.267 0.000 1.086 346 F CA 1.047 58.867 58.000 -0.300 0.000 1.375 346 F CB 0.035 38.590 39.000 -0.741 0.000 1.045 346 F HN 0.206 nan 8.300 nan 0.000 0.516 347 E N -0.325 119.802 120.200 -0.123 0.000 2.051 347 E HA -0.161 4.190 4.350 0.000 0.000 0.192 347 E C 2.229 178.677 176.600 -0.253 0.000 0.991 347 E CA 1.893 58.190 56.400 -0.173 0.000 0.799 347 E CB -0.733 28.915 29.700 -0.087 0.000 0.748 347 E HN 0.327 nan 8.360 nan 0.000 0.449 348 T N 1.301 115.713 114.554 -0.237 0.000 2.684 348 T HA -0.142 4.208 4.350 0.000 0.000 0.267 348 T C 1.934 176.435 174.700 -0.333 0.000 1.036 348 T CA 1.699 63.640 62.100 -0.264 0.000 1.148 348 T CB -0.241 68.453 68.868 -0.290 0.000 0.863 348 T HN 0.266 nan 8.240 nan 0.000 0.436 349 A N 1.427 124.007 122.820 -0.399 0.000 2.015 349 A HA -0.033 4.287 4.320 0.000 0.000 0.219 349 A C 2.375 179.567 177.584 -0.654 0.000 1.163 349 A CA 1.781 53.576 52.037 -0.403 0.000 0.646 349 A CB -0.704 18.123 19.000 -0.289 0.000 0.806 349 A HN 0.608 nan 8.150 nan 0.000 0.448 350 T N -4.089 109.914 114.554 -0.917 0.000 3.105 350 T HA 0.520 4.870 4.350 0.000 0.000 0.253 350 T C 1.532 175.754 174.700 -0.796 0.000 1.047 350 T CA 0.808 62.008 62.100 -1.501 0.000 0.944 350 T CB 0.198 68.165 68.868 -1.502 0.000 1.016 350 T HN 0.443 nan 8.240 nan 0.000 0.544 351 A N 2.556 125.108 122.820 -0.445 0.000 1.958 351 A HA -0.110 4.210 4.320 0.000 0.000 0.221 351 A C 2.519 180.032 177.584 -0.119 0.000 1.178 351 A CA 2.135 54.036 52.037 -0.227 0.000 0.642 351 A CB -1.011 17.889 19.000 -0.167 0.000 0.816 351 A HN 0.821 nan 8.150 nan 0.000 0.453 352 S N -1.856 113.808 115.700 -0.061 0.000 2.556 352 S HA 0.355 4.825 4.470 0.000 0.000 0.216 352 S C 0.046 174.771 174.600 0.209 0.000 0.970 352 S CA -0.660 57.579 58.200 0.064 0.000 0.912 352 S CB -0.318 62.923 63.200 0.068 0.000 0.790 352 S HN 0.109 nan 8.310 nan 0.000 0.504 353 F N 2.914 122.821 119.950 -0.072 0.000 2.418 353 F HA 0.617 5.144 4.527 0.000 0.000 0.341 353 F C 1.421 177.194 175.800 -0.044 0.000 1.120 353 F CA -1.350 56.611 58.000 -0.064 0.000 1.232 353 F CB 0.006 38.957 39.000 -0.082 0.000 1.175 353 F HN 0.188 nan 8.300 nan 0.000 0.569 354 G N 0.906 109.775 108.800 0.115 0.000 2.444 354 G HA2 0.477 4.438 3.960 0.000 0.000 0.268 354 G HA3 0.477 4.438 3.960 0.000 0.000 0.268 354 G C -0.421 174.520 174.900 0.067 0.000 1.203 354 G CA -0.391 44.744 45.100 0.058 0.000 0.835 354 G HN 0.906 nan 8.290 nan 0.000 0.543 355 A N 1.923 124.775 122.820 0.054 0.000 2.547 355 A HA 0.386 4.706 4.320 0.000 0.000 0.233 355 A C 0.688 178.293 177.584 0.035 0.000 1.067 355 A CA 0.206 52.274 52.037 0.052 0.000 0.763 355 A CB 0.277 19.304 19.000 0.045 0.000 1.007 355 A HN 0.539 nan 8.150 nan 0.000 0.506 356 K N 1.300 121.724 120.400 0.040 0.000 2.087 356 K HA 0.282 4.602 4.320 0.000 0.000 0.255 356 K C -0.358 176.262 176.600 0.035 0.000 0.988 356 K CA -0.621 55.675 56.287 0.015 0.000 0.915 356 K CB 0.730 33.240 32.500 0.018 0.000 1.043 356 K HN 0.676 nan 8.250 nan 0.000 0.457 357 Q N 2.260 122.070 119.800 0.017 0.000 2.296 357 Q HA 0.082 4.422 4.340 0.000 0.000 0.263 357 Q C 0.242 176.362 176.000 0.199 0.000 1.026 357 Q CA 0.049 55.905 55.803 0.088 0.000 0.912 357 Q CB 0.510 29.299 28.738 0.085 0.000 1.198 357 Q HN 0.450 nan 8.270 nan 0.000 0.407 358 R N 2.343 122.980 120.500 0.229 0.000 2.441 358 R HA 0.259 4.599 4.340 0.000 0.000 0.284 358 R C 0.288 176.823 176.300 0.392 0.000 1.070 358 R CA -0.661 55.633 56.100 0.324 0.000 1.047 358 R CB 0.523 30.955 30.300 0.219 0.000 1.016 358 R HN 0.561 nan 8.270 nan 0.000 0.477 359 H N 0.398 119.607 119.070 0.231 0.000 2.679 359 H HA 0.119 4.675 4.556 0.000 0.000 0.369 359 H C -1.070 174.334 175.328 0.128 0.000 1.178 359 H CA -0.658 55.402 56.048 0.021 0.000 1.419 359 H CB 0.671 30.311 29.762 -0.204 0.000 1.458 359 H HN 0.760 nan 8.280 nan 0.000 0.605 360 D N 1.696 122.055 120.400 -0.069 0.000 2.317 360 D HA 0.184 4.824 4.640 0.000 0.000 0.234 360 D C 0.780 176.945 176.300 -0.224 0.000 1.112 360 D CA -0.624 53.303 54.000 -0.123 0.000 0.840 360 D CB -0.080 40.694 40.800 -0.043 0.000 1.078 360 D HN 0.637 nan 8.370 nan 0.000 0.486 361 I N 0.408 120.765 120.570 -0.356 0.000 3.936 361 I HA 0.356 4.526 4.170 0.000 0.000 0.330 361 I C 0.957 176.917 176.117 -0.261 0.000 1.509 361 I CA -0.473 60.622 61.300 -0.342 0.000 1.126 361 I CB 0.552 38.217 38.000 -0.558 0.000 1.115 361 I HN 0.089 nan 8.210 nan 0.000 0.424 362 E N 2.414 122.499 120.200 -0.192 0.000 2.130 362 E HA -0.131 4.219 4.350 0.000 0.000 0.196 362 E C -0.400 176.141 176.600 -0.098 0.000 0.998 362 E CA 1.581 57.898 56.400 -0.138 0.000 0.806 362 E CB -1.554 28.094 29.700 -0.087 0.000 0.738 362 E HN 0.492 nan 8.360 nan 0.000 0.459 363 P HA -0.129 nan 4.420 nan 0.000 0.219 363 P C 1.604 178.815 177.300 -0.148 0.000 1.146 363 P CA 0.741 63.856 63.100 0.025 0.000 0.808 363 P CB 0.002 31.828 31.700 0.209 0.000 0.779 364 L N -0.607 120.530 121.223 -0.145 0.000 2.095 364 L HA 0.035 4.375 4.340 0.000 0.000 0.204 364 L C 2.324 179.014 176.870 -0.299 0.000 1.080 364 L CA 1.662 56.322 54.840 -0.300 0.000 0.759 364 L CB -0.892 41.091 42.059 -0.127 0.000 0.914 364 L HN -0.262 nan 8.230 nan 0.000 0.439 365 R N -0.519 119.848 120.500 -0.222 0.000 2.081 365 R HA -0.114 4.226 4.340 0.000 0.000 0.235 365 R C 2.233 178.456 176.300 -0.129 0.000 1.131 365 R CA 1.383 57.381 56.100 -0.171 0.000 0.960 365 R CB -0.544 29.657 30.300 -0.165 0.000 0.856 365 R HN 0.535 nan 8.270 nan 0.000 0.436 366 A N 0.717 123.456 122.820 -0.135 0.000 1.898 366 A HA -0.183 4.138 4.320 0.000 0.000 0.216 366 A C 2.087 179.610 177.584 -0.101 0.000 1.181 366 A CA 1.392 53.373 52.037 -0.093 0.000 0.620 366 A CB -0.335 18.621 19.000 -0.073 0.000 0.819 366 A HN 0.116 nan 8.150 nan 0.000 0.442 367 R N 0.096 120.456 120.500 -0.232 0.000 2.073 367 R HA 0.001 4.341 4.340 0.000 0.000 0.234 367 R C 1.804 178.078 176.300 -0.043 0.000 1.134 367 R CA 1.755 57.711 56.100 -0.240 0.000 0.952 367 R CB -0.735 29.111 30.300 -0.755 0.000 0.850 367 R HN 0.534 nan 8.270 nan 0.000 0.433 368 I N 0.257 120.765 120.570 -0.103 0.000 2.208 368 I HA -0.282 3.888 4.170 0.000 0.000 0.245 368 I C 2.248 178.476 176.117 0.186 0.000 1.097 368 I CA 1.518 62.870 61.300 0.086 0.000 1.363 368 I CB -0.351 37.640 38.000 -0.015 0.000 1.051 368 I HN 0.321 nan 8.210 nan 0.000 0.413 369 A N 0.113 122.980 122.820 0.078 0.000 1.933 369 A HA -0.259 4.061 4.320 0.000 0.000 0.218 369 A C 2.330 179.964 177.584 0.083 0.000 1.175 369 A CA 1.868 53.949 52.037 0.072 0.000 0.628 369 A CB -0.629 18.386 19.000 0.025 0.000 0.814 369 A HN 0.570 nan 8.150 nan 0.000 0.444 370 E N -1.221 119.034 120.200 0.093 0.000 2.106 370 E HA -0.187 4.163 4.350 0.000 0.000 0.192 370 E C 1.640 178.289 176.600 0.081 0.000 0.984 370 E CA 1.041 57.486 56.400 0.076 0.000 0.806 370 E CB -0.300 29.435 29.700 0.059 0.000 0.750 370 E HN 0.504 nan 8.360 nan 0.000 0.458 371 F N 1.321 121.232 119.950 -0.064 0.000 2.095 371 F HA -0.162 4.365 4.527 0.000 0.000 0.298 371 F C 2.320 178.084 175.800 -0.060 0.000 1.104 371 F CA 1.282 59.188 58.000 -0.157 0.000 1.232 371 F CB -0.405 38.353 39.000 -0.403 0.000 0.987 371 F HN 0.041 nan 8.300 nan 0.000 0.475 372 L N -0.982 120.268 121.223 0.046 0.000 2.141 372 L HA -0.155 4.185 4.340 0.000 0.000 0.209 372 L C 2.381 179.269 176.870 0.030 0.000 1.094 372 L CA 1.120 55.961 54.840 0.001 0.000 0.763 372 L CB -0.819 41.258 42.059 0.029 0.000 0.908 372 L HN 0.119 nan 8.230 nan 0.000 0.437 373 A N -1.555 121.287 122.820 0.036 0.000 2.218 373 A HA -0.062 4.258 4.320 0.000 0.000 0.209 373 A C 0.664 178.253 177.584 0.009 0.000 1.168 373 A CA -0.180 51.868 52.037 0.018 0.000 0.804 373 A CB -0.342 18.667 19.000 0.015 0.000 0.834 373 A HN 0.266 nan 8.150 nan 0.000 0.482 374 D N 1.354 121.768 120.400 0.022 0.000 2.660 374 D HA -0.045 4.595 4.640 0.000 0.000 0.253 374 D C -1.266 175.028 176.300 -0.010 0.000 1.256 374 D CA -0.725 53.283 54.000 0.014 0.000 0.914 374 D CB 0.863 41.718 40.800 0.091 0.000 1.137 374 D HN 0.256 nan 8.370 nan 0.000 0.542 375 P HA 0.011 nan 4.420 nan 0.000 0.245 375 P C 0.355 177.595 177.300 -0.100 0.000 1.203 375 P CA -0.050 63.017 63.100 -0.056 0.000 0.792 375 P CB 0.364 32.034 31.700 -0.050 0.000 0.997 376 E N 0.616 120.717 120.200 -0.165 0.000 2.481 376 E HA 0.044 4.394 4.350 0.000 0.000 0.263 376 E C -0.360 176.059 176.600 -0.302 0.000 0.992 376 E CA 0.754 56.960 56.400 -0.323 0.000 0.938 376 E CB 0.301 29.626 29.700 -0.626 0.000 0.933 376 E HN -0.015 nan 8.360 nan 0.000 0.453 377 T N 4.030 118.421 114.554 -0.272 0.000 2.756 377 T HA 0.253 4.603 4.350 0.000 0.000 0.290 377 T C -0.889 173.690 174.700 -0.202 0.000 0.985 377 T CA -0.351 61.657 62.100 -0.153 0.000 0.955 377 T CB 0.040 68.856 68.868 -0.087 0.000 0.930 377 T HN 0.224 nan 8.240 nan 0.000 0.451 378 Y N 1.174 121.434 120.300 -0.067 0.000 2.300 378 Y HA 0.423 4.973 4.550 0.000 0.000 0.328 378 Y C 1.925 177.794 175.900 -0.052 0.000 1.270 378 Y CA -0.366 57.700 58.100 -0.057 0.000 1.352 378 Y CB 0.435 38.856 38.460 -0.066 0.000 1.286 378 Y HN 0.784 nan 8.280 nan 0.000 0.536 379 E N 0.875 121.145 120.200 0.116 0.000 2.106 379 E HA -0.132 4.218 4.350 0.000 0.000 0.192 379 E C 0.723 177.344 176.600 0.035 0.000 0.984 379 E CA 1.843 58.271 56.400 0.046 0.000 0.806 379 E CB -0.729 28.990 29.700 0.033 0.000 0.750 379 E HN 0.773 nan 8.360 nan 0.000 0.458 380 D N -0.562 119.862 120.400 0.041 0.000 2.279 380 D HA 0.377 5.017 4.640 0.000 0.000 0.285 380 D C 1.306 177.593 176.300 -0.022 0.000 1.167 380 D CA 0.367 54.364 54.000 -0.005 0.000 1.064 380 D CB -1.015 39.768 40.800 -0.028 0.000 1.108 380 D HN 0.337 nan 8.370 nan 0.000 0.428 381 G N -1.157 107.597 108.800 -0.077 0.000 2.588 381 G HA2 0.457 4.417 3.960 0.000 0.000 0.281 381 G HA3 0.457 4.417 3.960 0.000 0.000 0.281 381 G C 0.274 175.103 174.900 -0.117 0.000 1.236 381 G CA -0.754 44.283 45.100 -0.106 0.000 0.969 381 G HN 0.296 nan 8.290 nan 0.000 0.504 382 M N -0.076 119.444 119.600 -0.133 0.000 2.219 382 M HA 0.194 4.674 4.480 0.000 0.000 0.307 382 M C 0.552 176.672 176.300 -0.301 0.000 1.116 382 M CA 0.091 55.298 55.300 -0.155 0.000 1.181 382 M CB 0.333 32.845 32.600 -0.147 0.000 1.410 382 M HN 0.238 nan 8.290 nan 0.000 0.454 383 R N 0.726 120.996 120.500 -0.384 0.000 2.457 383 R HA 0.252 4.592 4.340 0.000 0.000 0.284 383 R C 0.877 176.901 176.300 -0.460 0.000 1.024 383 R CA -0.372 55.416 56.100 -0.520 0.000 1.025 383 R CB 0.702 30.528 30.300 -0.790 0.000 1.063 383 R HN 0.571 nan 8.270 nan 0.000 0.493 384 V N 2.648 122.333 119.914 -0.382 0.000 2.490 384 V HA -0.259 3.861 4.120 0.000 0.000 0.250 384 V C 1.950 177.991 176.094 -0.089 0.000 1.061 384 V CA 2.247 64.380 62.300 -0.278 0.000 1.064 384 V CB -0.916 30.638 31.823 -0.448 0.000 0.670 384 V HN 0.860 nan 8.190 nan 0.000 0.461 385 H N 0.021 119.091 119.070 0.000 0.000 2.387 385 H HA -0.170 4.386 4.556 0.000 0.000 0.299 385 H C 2.167 177.414 175.328 -0.135 0.000 1.090 385 H CA 1.465 57.438 56.048 -0.125 0.000 1.332 385 H CB -0.493 29.093 29.762 -0.294 0.000 1.386 385 H HN 0.434 nan 8.280 nan 0.000 0.516 386 Q N 0.809 120.418 119.800 -0.319 0.000 2.119 386 Q HA -0.075 4.266 4.340 0.000 0.000 0.201 386 Q C 2.546 178.487 176.000 -0.099 0.000 0.972 386 Q CA 1.405 57.098 55.803 -0.183 0.000 0.847 386 Q CB 0.063 28.675 28.738 -0.210 0.000 0.903 386 Q HN 0.391 nan 8.270 nan 0.000 0.433 387 V N 0.932 120.781 119.914 -0.108 0.000 2.358 387 V HA -0.247 3.873 4.120 0.000 0.000 0.246 387 V C 2.076 178.177 176.094 0.010 0.000 1.047 387 V CA 1.586 63.849 62.300 -0.061 0.000 1.035 387 V CB -0.352 31.418 31.823 -0.088 0.000 0.658 387 V HN 0.334 nan 8.190 nan 0.000 0.452 388 I N 0.186 120.790 120.570 0.056 0.000 2.353 388 I HA -0.199 3.971 4.170 0.000 0.000 0.248 388 I C 2.294 178.479 176.117 0.113 0.000 1.119 388 I CA 1.710 63.089 61.300 0.131 0.000 1.417 388 I CB -0.365 37.766 38.000 0.219 0.000 1.078 388 I HN 0.365 nan 8.210 nan 0.000 0.421 389 D N 0.616 121.052 120.400 0.060 0.000 2.123 389 D HA -0.183 4.457 4.640 0.000 0.000 0.196 389 D C 2.195 178.533 176.300 0.062 0.000 0.992 389 D CA 1.721 55.753 54.000 0.053 0.000 0.833 389 D CB 0.157 40.968 40.800 0.017 0.000 0.954 389 D HN 0.167 nan 8.370 nan 0.000 0.455 390 S N -0.624 115.104 115.700 0.046 0.000 2.368 390 S HA -0.137 4.333 4.470 0.000 0.000 0.224 390 S C 2.086 176.746 174.600 0.099 0.000 1.029 390 S CA 1.049 59.278 58.200 0.048 0.000 0.988 390 S CB -0.281 62.926 63.200 0.011 0.000 0.838 390 S HN 0.343 nan 8.310 nan 0.000 0.462 391 M N 1.753 121.429 119.600 0.127 0.000 2.086 391 M HA -0.127 4.353 4.480 0.000 0.000 0.261 391 M C 1.857 178.337 176.300 0.301 0.000 1.067 391 M CA 1.157 56.609 55.300 0.253 0.000 1.116 391 M CB -0.734 32.028 32.600 0.270 0.000 1.348 391 M HN 0.204 nan 8.290 nan 0.000 0.407 392 N N 0.202 119.019 118.700 0.195 0.000 2.043 392 N HA -0.131 4.609 4.740 0.000 0.000 0.193 392 N C 1.710 177.292 175.510 0.120 0.000 1.037 392 N CA 1.983 55.119 53.050 0.143 0.000 0.851 392 N CB -1.031 37.525 38.487 0.116 0.000 1.027 392 N HN 0.313 nan 8.380 nan 0.000 0.422 393 T N 1.096 115.716 114.554 0.110 0.000 2.635 393 T HA -0.085 4.265 4.350 0.000 0.000 0.267 393 T C 2.088 176.852 174.700 0.106 0.000 1.040 393 T CA 1.350 63.502 62.100 0.088 0.000 1.156 393 T CB -0.393 68.517 68.868 0.070 0.000 0.863 393 T HN 0.011 nan 8.240 nan 0.000 0.430 394 V N 1.101 121.115 119.914 0.166 0.000 2.548 394 V HA -0.081 4.040 4.120 0.000 0.000 0.249 394 V C 2.351 178.578 176.094 0.223 0.000 1.055 394 V CA 1.432 63.859 62.300 0.213 0.000 1.065 394 V CB -0.586 31.393 31.823 0.261 0.000 0.681 394 V HN 0.388 nan 8.190 nan 0.000 0.462 395 M N 0.671 120.378 119.600 0.180 0.000 2.117 395 M HA -0.158 4.322 4.480 0.000 0.000 0.262 395 M C 2.007 178.267 176.300 -0.066 0.000 1.065 395 M CA 1.854 57.061 55.300 -0.155 0.000 1.114 395 M CB -0.713 31.732 32.600 -0.258 0.000 1.361 395 M HN 0.388 nan 8.290 nan 0.000 0.408 396 E N -0.350 119.854 120.200 0.007 0.000 2.153 396 E HA -0.225 4.125 4.350 0.000 0.000 0.194 396 E C 1.715 178.324 176.600 0.016 0.000 0.988 396 E CA 1.509 57.916 56.400 0.012 0.000 0.811 396 E CB -0.037 29.681 29.700 0.030 0.000 0.746 396 E HN 0.714 nan 8.360 nan 0.000 0.466 397 E N -0.168 120.052 120.200 0.033 0.000 2.076 397 E HA -0.101 4.250 4.350 0.000 0.000 0.190 397 E C 1.931 178.547 176.600 0.026 0.000 0.979 397 E CA 0.849 57.269 56.400 0.033 0.000 0.807 397 E CB -0.014 29.714 29.700 0.047 0.000 0.761 397 E HN 0.262 nan 8.360 nan 0.000 0.454 398 A N 1.331 124.168 122.820 0.029 0.000 1.970 398 A HA 0.234 4.554 4.320 0.000 0.000 0.216 398 A C 1.359 178.937 177.584 -0.010 0.000 1.170 398 A CA 0.704 52.755 52.037 0.024 0.000 0.645 398 A CB -0.056 18.981 19.000 0.061 0.000 0.816 398 A HN 0.220 nan 8.150 nan 0.000 0.447 399 A N 0.597 123.394 122.820 -0.039 0.000 2.316 399 A HA 0.523 4.843 4.320 0.000 0.000 0.284 399 A C -0.043 177.531 177.584 -0.016 0.000 1.115 399 A CA -0.590 51.422 52.037 -0.043 0.000 0.812 399 A CB 0.254 19.209 19.000 -0.075 0.000 1.064 399 A HN 0.323 nan 8.150 nan 0.000 0.489 400 E N 1.212 121.407 120.200 -0.009 0.000 2.422 400 E HA 0.155 4.505 4.350 0.000 0.000 0.260 400 E C -2.259 174.341 176.600 0.001 0.000 1.108 400 E CA -1.448 54.952 56.400 -0.000 0.000 0.943 400 E CB -0.315 29.388 29.700 0.004 0.000 0.961 400 E HN 0.337 nan 8.360 nan 0.000 0.443 401 P HA 0.026 nan 4.420 nan 0.000 0.264 401 P C 0.536 177.844 177.300 0.013 0.000 1.193 401 P CA 0.886 63.993 63.100 0.012 0.000 0.763 401 P CB 0.306 32.015 31.700 0.015 0.000 0.810 402 G N 1.474 110.283 108.800 0.016 0.000 2.143 402 G HA2 -0.217 3.743 3.960 0.000 0.000 0.249 402 G HA3 -0.217 3.743 3.960 0.000 0.000 0.249 402 G C -0.036 174.873 174.900 0.016 0.000 0.981 402 G CA -0.132 44.979 45.100 0.018 0.000 0.665 402 G HN 0.564 nan 8.290 nan 0.000 0.528 403 E N -1.075 119.130 120.200 0.008 0.000 2.404 403 E HA 0.654 5.004 4.350 0.000 0.000 0.264 403 E C 0.382 176.972 176.600 -0.017 0.000 0.946 403 E CA -0.506 55.895 56.400 0.002 0.000 0.806 403 E CB 2.013 31.712 29.700 -0.001 0.000 1.334 403 E HN 1.564 nan 8.360 nan 0.000 0.429 404 G N 0.216 108.999 108.800 -0.028 0.000 2.692 404 G HA2 -0.096 3.864 3.960 0.000 0.000 0.686 404 G HA3 -0.096 3.864 3.960 0.000 0.000 0.686 404 G C -0.833 174.048 174.900 -0.031 0.000 1.243 404 G CA -0.622 44.435 45.100 -0.072 0.000 0.782 404 G HN 0.389 nan 8.290 nan 0.000 0.625 405 T N 1.246 115.771 114.554 -0.048 0.000 2.928 405 T HA 0.626 4.976 4.350 0.000 0.000 0.296 405 T C 0.172 174.888 174.700 0.027 0.000 1.000 405 T CA -0.436 61.675 62.100 0.018 0.000 0.989 405 T CB 1.447 70.332 68.868 0.027 0.000 1.005 405 T HN 0.663 nan 8.240 nan 0.000 0.442 406 I N 3.059 123.698 120.570 0.114 0.000 2.339 406 I HA 0.450 4.620 4.170 0.000 0.000 0.290 406 I C -0.367 175.809 176.117 0.098 0.000 0.994 406 I CA -0.937 60.482 61.300 0.199 0.000 1.191 406 I CB 1.516 39.726 38.000 0.351 0.000 1.343 406 I HN 0.280 nan 8.210 nan 0.000 0.458 407 V N 4.978 124.933 119.914 0.068 0.000 2.472 407 V HA 0.418 4.538 4.120 0.000 0.000 0.290 407 V C 0.053 176.173 176.094 0.042 0.000 1.037 407 V CA -0.423 61.855 62.300 -0.035 0.000 0.908 407 V CB 1.769 33.592 31.823 0.001 0.000 0.985 407 V HN 0.753 nan 8.190 nan 0.000 0.454 408 S N 2.684 118.365 115.700 -0.032 0.000 2.502 408 S HA 0.348 4.818 4.470 0.000 0.000 0.304 408 S C -0.395 174.359 174.600 0.256 0.000 1.097 408 S CA -0.693 57.616 58.200 0.182 0.000 1.045 408 S CB 1.286 64.601 63.200 0.193 0.000 1.019 408 S HN 0.890 nan 8.310 nan 0.000 0.481 409 D N 2.171 122.822 120.400 0.418 0.000 2.274 409 D HA 0.193 4.833 4.640 0.000 0.000 0.256 409 D C -0.049 176.400 176.300 0.249 0.000 1.274 409 D CA 0.023 54.293 54.000 0.450 0.000 0.998 409 D CB 0.424 41.538 40.800 0.522 0.000 1.139 409 D HN 0.439 nan 8.370 nan 0.000 0.540 410 I N -0.578 120.138 120.570 0.244 0.000 2.493 410 I HA 0.596 4.766 4.170 0.000 0.000 0.298 410 I C 0.985 177.116 176.117 0.023 0.000 0.998 410 I CA -0.306 60.981 61.300 -0.020 0.000 1.137 410 I CB 0.541 38.583 38.000 0.071 0.000 1.310 410 I HN 0.608 nan 8.210 nan 0.000 0.445 411 G N 3.907 112.543 108.800 -0.274 0.000 2.356 411 G HA2 0.056 4.016 3.960 0.000 0.000 0.288 411 G HA3 0.056 4.016 3.960 0.000 0.000 0.288 411 G C -0.369 174.400 174.900 -0.218 0.000 1.302 411 G CA -0.628 44.444 45.100 -0.046 0.000 0.887 411 G HN 0.305 nan 8.290 nan 0.000 0.521 412 F N 0.978 120.840 119.950 -0.148 0.000 2.134 412 F HA 0.064 4.592 4.527 0.000 0.000 0.299 412 F C 2.590 178.364 175.800 -0.044 0.000 1.097 412 F CA 2.100 59.990 58.000 -0.183 0.000 1.264 412 F CB -0.641 38.166 39.000 -0.321 0.000 1.001 412 F HN 0.448 nan 8.300 nan 0.000 0.479 413 F N 0.318 120.299 119.950 0.051 0.000 2.250 413 F HA -0.096 4.431 4.527 0.000 0.000 0.301 413 F C 2.326 178.179 175.800 0.088 0.000 1.077 413 F CA 1.436 59.472 58.000 0.061 0.000 1.348 413 F CB -1.328 37.733 39.000 0.102 0.000 1.040 413 F HN -0.105 nan 8.300 nan 0.000 0.509 414 R N 0.614 120.425 120.500 -1.148 0.000 2.105 414 R HA -0.186 4.154 4.340 0.000 0.000 0.239 414 R C 2.015 178.002 176.300 -0.521 0.000 1.135 414 R CA 1.979 57.593 56.100 -0.810 0.000 0.967 414 R CB -0.945 28.771 30.300 -0.973 0.000 0.861 414 R HN 0.464 nan 8.270 nan 0.000 0.442 415 H N -1.057 117.822 119.070 -0.318 0.000 2.462 415 H HA -0.081 4.475 4.556 0.000 0.000 0.292 415 H C 1.680 176.852 175.328 -0.260 0.000 1.049 415 H CA 1.069 56.915 56.048 -0.336 0.000 1.334 415 H CB -0.230 29.295 29.762 -0.396 0.000 1.404 415 H HN 0.255 nan 8.280 nan 0.000 0.544 416 Y N 0.746 120.976 120.300 -0.116 0.000 2.242 416 Y HA -0.100 4.450 4.550 0.000 0.000 0.291 416 Y C 2.858 178.799 175.900 0.068 0.000 1.137 416 Y CA 1.030 59.184 58.100 0.089 0.000 1.181 416 Y CB -0.711 37.934 38.460 0.309 0.000 0.989 416 Y HN 0.203 nan 8.280 nan 0.000 0.527 417 G N -0.327 108.583 108.800 0.185 0.000 2.469 417 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 417 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 417 G C 1.818 176.401 174.900 -0.529 0.000 1.150 417 G CA 1.567 46.681 45.100 0.024 0.000 0.763 417 G HN 0.299 nan 8.290 nan 0.000 0.561 418 V N 0.736 120.382 119.914 -0.447 0.000 2.358 418 V HA -0.093 4.027 4.120 0.000 0.000 0.246 418 V C 2.890 178.714 176.094 -0.450 0.000 1.047 418 V CA 1.522 63.514 62.300 -0.514 0.000 1.035 418 V CB -0.333 31.268 31.823 -0.370 0.000 0.658 418 V HN 0.347 nan 8.190 nan 0.000 0.452 419 L N -1.809 119.106 121.223 -0.513 0.000 2.179 419 L HA -0.028 4.312 4.340 0.000 0.000 0.208 419 L C 2.075 178.577 176.870 -0.613 0.000 1.096 419 L CA 1.419 55.834 54.840 -0.707 0.000 0.779 419 L CB -0.290 41.004 42.059 -1.274 0.000 0.922 419 L HN 0.291 nan 8.230 nan 0.000 0.443 420 F N -0.644 119.221 119.950 -0.141 0.000 2.680 420 F HA 0.352 4.879 4.527 0.000 0.000 0.290 420 F C 1.407 177.167 175.800 -0.068 0.000 1.114 420 F CA -0.750 57.215 58.000 -0.059 0.000 1.333 420 F CB -0.458 38.574 39.000 0.053 0.000 1.091 420 F HN -0.215 nan 8.300 nan 0.000 0.606 421 A N 1.923 124.727 122.820 -0.027 0.000 2.477 421 A HA 0.301 4.622 4.320 0.000 0.000 0.246 421 A C 0.685 178.260 177.584 -0.014 0.000 1.078 421 A CA -0.385 51.639 52.037 -0.021 0.000 0.770 421 A CB 0.004 18.921 19.000 -0.138 0.000 1.011 421 A HN 0.334 nan 8.150 nan 0.000 0.494 422 R N 1.830 122.378 120.500 0.079 0.000 2.491 422 R HA 0.455 4.795 4.340 0.000 0.000 0.283 422 R C -0.475 175.885 176.300 0.099 0.000 1.072 422 R CA 0.552 56.697 56.100 0.075 0.000 1.048 422 R CB 0.402 30.749 30.300 0.078 0.000 0.983 422 R HN 0.865 nan 8.270 nan 0.000 0.450 423 A N 3.986 126.857 122.820 0.085 0.000 2.499 423 A HA 0.195 4.515 4.320 0.000 0.000 0.280 423 A C -0.884 176.743 177.584 0.072 0.000 1.135 423 A CA -0.738 51.365 52.037 0.110 0.000 0.744 423 A CB 1.509 20.602 19.000 0.156 0.000 1.213 423 A HN 0.866 nan 8.150 nan 0.000 0.434 424 D N 1.354 121.789 120.400 0.059 0.000 2.363 424 D HA 0.143 4.783 4.640 0.000 0.000 0.214 424 D C 0.566 176.886 176.300 0.034 0.000 1.093 424 D CA 0.840 54.865 54.000 0.043 0.000 0.837 424 D CB 0.311 41.131 40.800 0.033 0.000 0.948 424 D HN 0.761 nan 8.370 nan 0.000 0.507 425 Q N -1.413 118.411 119.800 0.039 0.000 2.511 425 Q HA 0.550 4.890 4.340 0.000 0.000 0.289 425 Q C -2.972 173.032 176.000 0.007 0.000 1.021 425 Q CA -2.239 53.576 55.803 0.020 0.000 0.785 425 Q CB 1.443 30.199 28.738 0.029 0.000 1.472 425 Q HN -0.256 nan 8.270 nan 0.000 0.411 426 P HA 0.047 nan 4.420 nan 0.000 0.264 426 P C -0.847 176.390 177.300 -0.106 0.000 1.193 426 P CA 0.371 63.343 63.100 -0.214 0.000 0.763 426 P CB -0.076 31.406 31.700 -0.364 0.000 0.810 427 F N 1.092 121.085 119.950 0.072 0.000 3.057 427 F HA -0.177 4.350 4.527 0.000 0.000 0.287 427 F C 1.637 177.479 175.800 0.070 0.000 0.834 427 F CA 1.146 59.186 58.000 0.068 0.000 1.147 427 F CB -2.604 36.421 39.000 0.041 0.000 1.245 427 F HN 0.480 nan 8.300 nan 0.000 0.509 428 G N -1.215 107.724 108.800 0.232 0.000 2.511 428 G HA2 0.047 4.007 3.960 0.000 0.000 0.217 428 G HA3 0.047 4.007 3.960 0.000 0.000 0.217 428 G C 0.201 175.251 174.900 0.250 0.000 1.133 428 G CA 0.570 45.781 45.100 0.185 0.000 0.792 428 G HN 0.336 nan 8.290 nan 0.000 0.539 429 F N 1.177 121.211 119.950 0.140 0.000 2.427 429 F HA 0.672 5.199 4.527 0.000 0.000 0.348 429 F C -0.856 175.050 175.800 0.177 0.000 1.125 429 F CA -1.534 56.551 58.000 0.141 0.000 0.989 429 F CB 1.162 40.236 39.000 0.123 0.000 1.165 429 F HN -0.244 nan 8.300 nan 0.000 0.442 430 L N 5.859 126.810 121.223 -0.454 0.000 2.346 430 L HA 0.704 5.044 4.340 0.000 0.000 0.276 430 L C -0.135 176.473 176.870 -0.437 0.000 1.006 430 L CA -0.540 54.131 54.840 -0.281 0.000 0.817 430 L CB 2.191 44.197 42.059 -0.089 0.000 1.272 430 L HN 0.691 nan 8.230 nan 0.000 0.421 431 T N 0.235 114.653 114.554 -0.225 0.000 2.769 431 T HA 0.228 4.578 4.350 0.000 0.000 0.306 431 T C -1.255 173.245 174.700 -0.334 0.000 1.400 431 T CA -0.386 61.600 62.100 -0.188 0.000 1.007 431 T CB 2.019 70.736 68.868 -0.252 0.000 1.392 431 T HN 0.426 nan 8.240 nan 0.000 0.500 432 S N 1.341 116.537 115.700 -0.840 0.000 2.400 432 S HA 0.562 5.032 4.470 0.000 0.000 0.295 432 S C 1.159 175.618 174.600 -0.234 0.000 1.113 432 S CA 0.040 57.823 58.200 -0.695 0.000 1.064 432 S CB -0.024 62.535 63.200 -1.069 0.000 0.990 432 S HN 0.817 nan 8.310 nan 0.000 0.502 433 A N 4.747 127.512 122.820 -0.092 0.000 1.935 433 A HA 0.258 4.578 4.320 0.000 0.000 0.214 433 A C 1.950 179.482 177.584 -0.087 0.000 1.178 433 A CA 1.130 53.153 52.037 -0.024 0.000 0.640 433 A CB -0.963 17.964 19.000 -0.121 0.000 0.825 433 A HN 0.846 nan 8.150 nan 0.000 0.447 434 G N -1.436 107.303 108.800 -0.102 0.000 2.439 434 G HA2 -0.139 3.821 3.960 0.000 0.000 0.212 434 G HA3 -0.139 3.821 3.960 0.000 0.000 0.212 434 G C 1.715 176.569 174.900 -0.076 0.000 1.199 434 G CA 1.231 46.274 45.100 -0.095 0.000 0.807 434 G HN 0.552 nan 8.290 nan 0.000 0.537 435 C N -0.089 119.168 119.300 -0.072 0.000 2.513 435 C HA 0.390 4.850 4.460 0.000 0.000 0.292 435 C C 1.621 176.578 174.990 -0.054 0.000 1.359 435 C CA 1.149 60.138 59.018 -0.048 0.000 1.778 435 C CB -0.556 27.178 27.740 -0.010 0.000 2.180 435 C HN 0.505 nan 8.230 nan 0.000 0.509 436 S N 1.556 117.202 115.700 -0.090 0.000 3.628 436 S HA -0.161 4.309 4.470 0.000 0.000 0.373 436 S C 0.061 174.646 174.600 -0.025 0.000 0.968 436 S CA 0.721 58.870 58.200 -0.085 0.000 1.215 436 S CB -1.875 61.299 63.200 -0.044 0.000 0.912 436 S HN 0.920 nan 8.310 nan 0.000 0.495 437 S N 2.123 117.852 115.700 0.048 0.000 2.528 437 S HA 0.556 5.026 4.470 0.000 0.000 0.277 437 S C 0.635 175.401 174.600 0.276 0.000 1.297 437 S CA -0.832 57.423 58.200 0.090 0.000 1.052 437 S CB 0.044 63.303 63.200 0.099 0.000 0.917 437 S HN 0.555 nan 8.310 nan 0.000 0.492 438 F N 3.404 123.376 119.950 0.036 0.000 2.539 438 F HA 0.514 5.041 4.527 0.000 0.000 0.340 438 F C 1.316 177.186 175.800 0.117 0.000 1.185 438 F CA -0.838 57.224 58.000 0.103 0.000 1.333 438 F CB -1.262 37.797 39.000 0.099 0.000 1.152 438 F HN 0.878 nan 8.300 nan 0.000 0.602 439 G N 1.770 110.739 108.800 0.282 0.000 2.179 439 G HA2 -0.416 3.544 3.960 0.000 0.000 0.260 439 G HA3 -0.416 3.544 3.960 0.000 0.000 0.260 439 G C 0.769 175.940 174.900 0.451 0.000 0.977 439 G CA 0.478 45.710 45.100 0.221 0.000 0.641 439 G HN 1.052 nan 8.290 nan 0.000 0.533 440 Y N 1.592 122.119 120.300 0.378 0.000 2.241 440 Y HA -0.026 4.524 4.550 0.000 0.000 0.286 440 Y C 2.521 178.452 175.900 0.051 0.000 1.166 440 Y CA 2.643 60.864 58.100 0.202 0.000 1.203 440 Y CB -0.512 38.053 38.460 0.175 0.000 0.977 440 Y HN 0.262 nan 8.280 nan 0.000 0.529 441 G N 0.504 109.396 108.800 0.154 0.000 2.459 441 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 441 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 441 G C 1.759 176.620 174.900 -0.066 0.000 1.183 441 G CA 1.387 46.529 45.100 0.070 0.000 0.776 441 G HN 0.489 nan 8.290 nan 0.000 0.552 442 I N 1.859 122.408 120.570 -0.034 0.000 2.113 442 I HA -0.120 4.050 4.170 0.000 0.000 0.238 442 I C 0.058 176.071 176.117 -0.174 0.000 1.070 442 I CA 1.290 62.554 61.300 -0.060 0.000 1.332 442 I CB -0.815 37.149 38.000 -0.060 0.000 1.044 442 I HN 0.186 nan 8.210 nan 0.000 0.402 443 P HA -0.169 nan 4.420 nan 0.000 0.218 443 P C 1.287 178.312 177.300 -0.457 0.000 1.148 443 P CA 1.928 64.794 63.100 -0.390 0.000 0.822 443 P CB -0.057 31.317 31.700 -0.543 0.000 0.784 444 A N 0.405 122.877 122.820 -0.581 0.000 1.929 444 A HA 0.053 4.373 4.320 0.000 0.000 0.216 444 A C 2.438 179.838 177.584 -0.306 0.000 1.176 444 A CA 1.766 53.445 52.037 -0.597 0.000 0.628 444 A CB -1.410 16.983 19.000 -1.012 0.000 0.816 444 A HN 0.211 nan 8.150 nan 0.000 0.444 445 A N -0.218 122.478 122.820 -0.206 0.000 1.969 445 A HA 0.009 4.329 4.320 0.000 0.000 0.218 445 A C 2.061 179.601 177.584 -0.074 0.000 1.169 445 A CA 1.306 53.291 52.037 -0.087 0.000 0.635 445 A CB -0.512 18.477 19.000 -0.018 0.000 0.810 445 A HN 0.487 nan 8.150 nan 0.000 0.445 446 I N -0.463 120.040 120.570 -0.112 0.000 2.163 446 I HA -0.167 4.003 4.170 0.000 0.000 0.240 446 I C 2.755 178.820 176.117 -0.086 0.000 1.081 446 I CA 1.167 62.421 61.300 -0.076 0.000 1.353 446 I CB -0.626 37.321 38.000 -0.090 0.000 1.054 446 I HN 0.378 nan 8.210 nan 0.000 0.407 447 G N 0.422 109.106 108.800 -0.194 0.000 2.440 447 G HA2 -0.275 3.685 3.960 0.000 0.000 0.218 447 G HA3 -0.275 3.685 3.960 0.000 0.000 0.218 447 G C 1.831 176.673 174.900 -0.095 0.000 1.154 447 G CA 0.907 45.895 45.100 -0.187 0.000 0.767 447 G HN 0.498 nan 8.290 nan 0.000 0.552 448 A N 0.039 122.800 122.820 -0.099 0.000 1.898 448 A HA -0.059 4.261 4.320 0.000 0.000 0.216 448 A C 2.314 179.891 177.584 -0.011 0.000 1.181 448 A CA 2.228 54.235 52.037 -0.050 0.000 0.620 448 A CB -0.397 18.574 19.000 -0.048 0.000 0.819 448 A HN 0.422 nan 8.150 nan 0.000 0.442 449 Q N -0.589 119.209 119.800 -0.003 0.000 2.172 449 Q HA 0.025 4.365 4.340 0.000 0.000 0.200 449 Q C 1.926 177.941 176.000 0.026 0.000 0.964 449 Q CA 1.740 57.555 55.803 0.020 0.000 0.855 449 Q CB -0.382 28.375 28.738 0.031 0.000 0.918 449 Q HN 0.682 nan 8.270 nan 0.000 0.444 450 M N -0.971 118.648 119.600 0.031 0.000 2.254 450 M HA -0.028 4.453 4.480 0.000 0.000 0.265 450 M C 1.984 178.309 176.300 0.041 0.000 1.066 450 M CA 1.337 56.666 55.300 0.049 0.000 1.123 450 M CB -0.135 32.523 32.600 0.096 0.000 1.388 450 M HN 0.305 nan 8.290 nan 0.000 0.425 451 A N 0.285 123.123 122.820 0.030 0.000 2.067 451 A HA 0.011 4.331 4.320 0.000 0.000 0.217 451 A C 1.186 178.789 177.584 0.031 0.000 1.156 451 A CA 0.885 52.940 52.037 0.030 0.000 0.683 451 A CB -0.087 18.923 19.000 0.017 0.000 0.808 451 A HN 0.415 nan 8.150 nan 0.000 0.455 452 R N -0.460 120.057 120.500 0.028 0.000 2.681 452 R HA 0.198 4.538 4.340 0.000 0.000 0.277 452 R C -2.239 174.075 176.300 0.025 0.000 1.563 452 R CA -1.456 54.661 56.100 0.027 0.000 1.673 452 R CB 1.023 31.339 30.300 0.027 0.000 1.258 452 R HN 0.238 nan 8.270 nan 0.000 0.650 453 P HA -0.124 nan 4.420 nan 0.000 0.220 453 P C -0.076 177.238 177.300 0.023 0.000 1.148 453 P CA 1.176 64.291 63.100 0.025 0.000 0.803 453 P CB 0.386 32.100 31.700 0.023 0.000 0.782 454 D N -0.728 119.685 120.400 0.020 0.000 2.388 454 D HA 0.111 4.751 4.640 0.000 0.000 0.221 454 D C 0.521 176.829 176.300 0.014 0.000 1.133 454 D CA 0.236 54.247 54.000 0.018 0.000 0.831 454 D CB 0.438 41.248 40.800 0.016 0.000 0.962 454 D HN 0.355 nan 8.370 nan 0.000 0.502 455 Q N 0.897 120.705 119.800 0.013 0.000 2.365 455 Q HA 0.400 4.740 4.340 0.000 0.000 0.269 455 Q C -2.619 173.378 176.000 -0.005 0.000 1.061 455 Q CA -2.054 53.748 55.803 -0.001 0.000 0.816 455 Q CB 2.445 31.182 28.738 -0.002 0.000 1.325 455 Q HN -0.125 nan 8.270 nan 0.000 0.446 456 P HA 0.043 nan 4.420 nan 0.000 0.268 456 P C -1.016 176.234 177.300 -0.083 0.000 1.205 456 P CA 0.004 63.075 63.100 -0.049 0.000 0.771 456 P CB 0.599 32.195 31.700 -0.173 0.000 0.858 457 T N 3.750 118.338 114.554 0.057 0.000 2.906 457 T HA 0.482 4.832 4.350 0.000 0.000 0.302 457 T C -0.686 174.231 174.700 0.362 0.000 1.002 457 T CA -0.215 61.949 62.100 0.106 0.000 0.988 457 T CB 0.012 68.934 68.868 0.090 0.000 0.972 457 T HN 0.045 nan 8.240 nan 0.000 0.447 458 F N 2.725 122.708 119.950 0.056 0.000 2.450 458 F HA 0.745 5.272 4.527 0.000 0.000 0.332 458 F C -0.060 175.773 175.800 0.056 0.000 1.093 458 F CA -2.180 55.855 58.000 0.059 0.000 1.003 458 F CB 1.489 40.533 39.000 0.074 0.000 1.151 458 F HN 0.313 nan 8.300 nan 0.000 0.474 459 L N 4.722 126.070 121.223 0.208 0.000 2.385 459 L HA 0.656 4.996 4.340 0.000 0.000 0.273 459 L C -1.384 175.529 176.870 0.073 0.000 0.990 459 L CA -0.527 54.390 54.840 0.129 0.000 0.821 459 L CB 1.679 43.791 42.059 0.088 0.000 1.279 459 L HN 0.577 nan 8.230 nan 0.000 0.412 460 I N 4.763 125.405 120.570 0.120 0.000 2.406 460 I HA 0.850 5.020 4.170 0.000 0.000 0.290 460 I C -0.834 175.305 176.117 0.037 0.000 0.999 460 I CA -0.232 61.092 61.300 0.039 0.000 1.124 460 I CB 1.360 39.447 38.000 0.144 0.000 1.289 460 I HN 0.903 nan 8.210 nan 0.000 0.441 461 A N 5.007 127.659 122.820 -0.280 0.000 2.498 461 A HA 0.839 5.159 4.320 0.000 0.000 0.298 461 A C -0.391 176.675 177.584 -0.864 0.000 1.075 461 A CA -0.443 51.383 52.037 -0.351 0.000 0.714 461 A CB 1.411 20.436 19.000 0.041 0.000 1.299 461 A HN 0.791 nan 8.150 nan 0.000 0.407 462 G N -0.293 107.973 108.800 -0.889 0.000 2.504 462 G HA2 0.424 4.384 3.960 0.000 0.000 0.288 462 G HA3 0.424 4.384 3.960 0.000 0.000 0.288 462 G C 0.473 175.271 174.900 -0.171 0.000 1.182 462 G CA 0.337 45.147 45.100 -0.482 0.000 0.894 462 G HN 0.809 nan 8.290 nan 0.000 0.521 463 D N 0.074 120.404 120.400 -0.117 0.000 2.144 463 D HA -0.115 4.525 4.640 0.000 0.000 0.199 463 D C 2.138 178.508 176.300 0.117 0.000 0.984 463 D CA 1.368 55.319 54.000 -0.081 0.000 0.834 463 D CB -0.713 40.169 40.800 0.137 0.000 0.955 463 D HN 0.471 nan 8.370 nan 0.000 0.465 464 G N 0.864 109.816 108.800 0.253 0.000 2.433 464 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 464 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 464 G C 1.785 176.739 174.900 0.089 0.000 1.186 464 G CA 1.153 46.435 45.100 0.303 0.000 0.779 464 G HN 0.482 nan 8.290 nan 0.000 0.543 465 G N -0.122 108.787 108.800 0.181 0.000 2.408 465 G HA2 -0.059 3.901 3.960 0.000 0.000 0.215 465 G HA3 -0.059 3.901 3.960 0.000 0.000 0.215 465 G C 1.603 176.474 174.900 -0.047 0.000 1.156 465 G CA 0.714 45.840 45.100 0.043 0.000 0.793 465 G HN 0.319 nan 8.290 nan 0.000 0.535 466 F N 0.986 120.881 119.950 -0.091 0.000 2.102 466 F HA -0.042 4.485 4.527 0.000 0.000 0.298 466 F C 2.392 178.175 175.800 -0.028 0.000 1.105 466 F CA 1.725 59.659 58.000 -0.110 0.000 1.239 466 F CB -0.229 38.601 39.000 -0.283 0.000 0.991 466 F HN 0.243 nan 8.300 nan 0.000 0.474 467 H N -0.224 118.794 119.070 -0.088 0.000 2.524 467 H HA 0.002 4.558 4.556 0.000 0.000 0.282 467 H C 2.427 177.579 175.328 -0.293 0.000 1.016 467 H CA 0.986 56.968 56.048 -0.109 0.000 1.270 467 H CB -0.382 29.410 29.762 0.050 0.000 1.394 467 H HN 0.350 nan 8.280 nan 0.000 0.568 468 S N -0.956 114.481 115.700 -0.439 0.000 2.419 468 S HA -0.131 4.339 4.470 0.000 0.000 0.233 468 S C 1.414 175.753 174.600 -0.436 0.000 1.016 468 S CA 1.379 59.203 58.200 -0.627 0.000 0.974 468 S CB -0.007 62.337 63.200 -1.428 0.000 0.786 468 S HN 0.393 nan 8.310 nan 0.000 0.492 469 N N 0.270 118.745 118.700 -0.375 0.000 2.536 469 N HA 0.235 4.975 4.740 0.000 0.000 0.286 469 N C 0.666 175.972 175.510 -0.341 0.000 1.577 469 N CA 0.494 53.388 53.050 -0.259 0.000 0.883 469 N CB 0.681 39.108 38.487 -0.099 0.000 1.390 469 N HN 0.369 nan 8.380 nan 0.000 0.491 470 S N -2.251 113.204 115.700 -0.409 0.000 2.527 470 S HA 0.038 4.508 4.470 0.000 0.000 0.222 470 S C 1.610 176.081 174.600 -0.215 0.000 0.985 470 S CA 0.331 58.224 58.200 -0.512 0.000 0.921 470 S CB 0.013 63.059 63.200 -0.256 0.000 0.772 470 S HN 0.127 nan 8.310 nan 0.000 0.529 471 S N 2.167 117.787 115.700 -0.133 0.000 2.423 471 S HA -0.044 4.426 4.470 0.000 0.000 0.231 471 S C 1.218 175.802 174.600 -0.027 0.000 1.014 471 S CA 0.886 59.056 58.200 -0.049 0.000 0.965 471 S CB -0.374 62.810 63.200 -0.027 0.000 0.785 471 S HN 0.543 nan 8.310 nan 0.000 0.495 472 D N 1.193 121.564 120.400 -0.048 0.000 2.378 472 D HA 0.082 4.722 4.640 0.000 0.000 0.227 472 D C 1.500 177.793 176.300 -0.011 0.000 1.012 472 D CA 0.120 54.107 54.000 -0.022 0.000 0.905 472 D CB -0.036 40.745 40.800 -0.031 0.000 0.895 472 D HN 0.351 nan 8.370 nan 0.000 0.532 473 L N 0.763 121.983 121.223 -0.006 0.000 2.081 473 L HA -0.187 4.153 4.340 0.000 0.000 0.212 473 L C 2.544 179.441 176.870 0.044 0.000 1.080 473 L CA 1.113 55.983 54.840 0.049 0.000 0.754 473 L CB -0.218 41.898 42.059 0.095 0.000 0.893 473 L HN 0.014 nan 8.230 nan 0.000 0.433 474 E N -0.197 120.022 120.200 0.033 0.000 2.110 474 E HA -0.204 4.146 4.350 0.000 0.000 0.193 474 E C 1.961 178.580 176.600 0.032 0.000 0.988 474 E CA 1.912 58.332 56.400 0.033 0.000 0.804 474 E CB 0.031 29.748 29.700 0.028 0.000 0.745 474 E HN 0.455 nan 8.360 nan 0.000 0.458 475 T N 1.528 116.099 114.554 0.029 0.000 2.746 475 T HA -0.109 4.242 4.350 0.000 0.000 0.267 475 T C 2.077 176.796 174.700 0.032 0.000 1.039 475 T CA 1.337 63.454 62.100 0.030 0.000 1.142 475 T CB -0.208 68.676 68.868 0.026 0.000 0.866 475 T HN 0.186 nan 8.240 nan 0.000 0.444 476 I N 1.291 121.882 120.570 0.034 0.000 2.208 476 I HA -0.221 3.949 4.170 0.000 0.000 0.245 476 I C 2.869 179.013 176.117 0.045 0.000 1.097 476 I CA 1.186 62.511 61.300 0.041 0.000 1.363 476 I CB -0.431 37.600 38.000 0.051 0.000 1.051 476 I HN 0.214 nan 8.210 nan 0.000 0.413 477 A N 0.666 123.513 122.820 0.045 0.000 1.873 477 A HA -0.225 4.095 4.320 0.000 0.000 0.215 477 A C 2.406 180.012 177.584 0.036 0.000 1.186 477 A CA 1.670 53.733 52.037 0.044 0.000 0.616 477 A CB -0.591 18.435 19.000 0.043 0.000 0.823 477 A HN 0.347 nan 8.150 nan 0.000 0.442 478 R N -0.289 120.231 120.500 0.032 0.000 2.096 478 R HA -0.012 4.328 4.340 0.000 0.000 0.235 478 R C 1.457 177.771 176.300 0.024 0.000 1.127 478 R CA 1.519 57.635 56.100 0.027 0.000 0.968 478 R CB -0.326 29.990 30.300 0.026 0.000 0.861 478 R HN 0.499 nan 8.270 nan 0.000 0.440 479 L N 0.324 121.562 121.223 0.026 0.000 2.558 479 L HA 0.097 4.437 4.340 0.000 0.000 0.225 479 L C 0.341 177.227 176.870 0.027 0.000 1.128 479 L CA -0.084 54.769 54.840 0.023 0.000 0.868 479 L CB -0.254 41.820 42.059 0.025 0.000 1.006 479 L HN 0.315 nan 8.230 nan 0.000 0.454 480 N N 1.197 119.917 118.700 0.033 0.000 2.725 480 N HA -0.209 4.531 4.740 0.000 0.000 0.251 480 N C -0.564 174.971 175.510 0.040 0.000 1.031 480 N CA 0.469 53.541 53.050 0.037 0.000 0.720 480 N CB -1.251 37.254 38.487 0.030 0.000 0.930 480 N HN 0.261 nan 8.380 nan 0.000 0.543 481 L N 0.705 121.955 121.223 0.045 0.000 2.281 481 L HA 0.337 4.677 4.340 0.000 0.000 0.285 481 L C -1.295 175.613 176.870 0.063 0.000 1.074 481 L CA -1.639 53.231 54.840 0.049 0.000 0.817 481 L CB 0.943 43.029 42.059 0.046 0.000 1.168 481 L HN 0.066 nan 8.230 nan 0.000 0.434 482 P HA 0.100 nan 4.420 nan 0.000 0.228 482 P C -0.051 177.318 177.300 0.115 0.000 1.748 482 P CA 0.091 63.241 63.100 0.085 0.000 0.909 482 P CB -0.358 31.385 31.700 0.072 0.000 1.882 483 I N 0.226 120.863 120.570 0.112 0.000 2.496 483 I HA 0.062 4.232 4.170 0.000 0.000 0.285 483 I C 0.629 176.828 176.117 0.136 0.000 1.080 483 I CA -0.491 60.889 61.300 0.133 0.000 1.404 483 I CB 1.213 39.272 38.000 0.098 0.000 1.403 483 I HN -0.160 nan 8.210 nan 0.000 0.539 484 V N 5.880 125.885 119.914 0.151 0.000 2.333 484 V HA 0.226 4.346 4.120 0.000 0.000 0.274 484 V C 0.226 176.290 176.094 -0.050 0.000 1.028 484 V CA -0.385 61.926 62.300 0.018 0.000 0.851 484 V CB 0.980 32.675 31.823 -0.214 0.000 1.000 484 V HN 0.734 nan 8.190 nan 0.000 0.456 485 T N 4.805 119.315 114.554 -0.075 0.000 2.837 485 T HA 0.562 4.912 4.350 0.000 0.000 0.285 485 T C -0.232 174.320 174.700 -0.247 0.000 0.984 485 T CA -0.330 61.688 62.100 -0.137 0.000 1.049 485 T CB 1.682 70.466 68.868 -0.140 0.000 0.947 485 T HN 0.328 nan 8.240 nan 0.000 0.472 486 V N 3.957 123.715 119.914 -0.259 0.000 2.378 486 V HA 0.354 4.474 4.120 0.000 0.000 0.288 486 V C -0.227 175.613 176.094 -0.423 0.000 1.016 486 V CA -0.783 61.336 62.300 -0.302 0.000 0.840 486 V CB 1.776 33.472 31.823 -0.211 0.000 0.994 486 V HN 0.708 nan 8.190 nan 0.000 0.431 487 V N 6.154 125.743 119.914 -0.540 0.000 2.318 487 V HA 0.256 4.376 4.120 0.000 0.000 0.271 487 V C 0.170 175.955 176.094 -0.515 0.000 1.030 487 V CA -0.605 61.272 62.300 -0.704 0.000 0.844 487 V CB 1.654 32.837 31.823 -1.067 0.000 1.015 487 V HN 0.733 nan 8.190 nan 0.000 0.460 488 V N 2.549 122.170 119.914 -0.489 0.000 2.405 488 V HA 0.498 4.618 4.120 0.000 0.000 0.264 488 V C 0.059 175.981 176.094 -0.286 0.000 1.048 488 V CA -0.312 61.772 62.300 -0.360 0.000 0.966 488 V CB 0.846 32.469 31.823 -0.334 0.000 1.015 488 V HN 0.745 nan 8.190 nan 0.000 0.477 489 N N 4.917 123.498 118.700 -0.198 0.000 2.424 489 N HA 0.393 5.133 4.740 0.000 0.000 0.271 489 N C 0.208 175.700 175.510 -0.030 0.000 0.985 489 N CA -0.469 52.539 53.050 -0.069 0.000 0.921 489 N CB 1.403 39.901 38.487 0.020 0.000 1.149 489 N HN 0.889 nan 8.380 nan 0.000 0.492 490 N N 2.201 120.932 118.700 0.051 0.000 2.291 490 N HA 0.069 4.809 4.740 0.000 0.000 0.244 490 N C -1.057 174.536 175.510 0.140 0.000 1.216 490 N CA -0.219 52.863 53.050 0.053 0.000 0.879 490 N CB 0.005 38.501 38.487 0.015 0.000 1.167 490 N HN 0.428 nan 8.380 nan 0.000 0.515 491 D N 0.020 120.545 120.400 0.208 0.000 2.737 491 D HA -0.147 4.493 4.640 0.000 0.000 0.233 491 D C -0.911 175.589 176.300 0.333 0.000 1.155 491 D CA 1.242 55.419 54.000 0.296 0.000 0.667 491 D CB -1.739 39.169 40.800 0.180 0.000 1.060 491 D HN 0.456 nan 8.370 nan 0.000 0.427 492 T N 0.097 114.875 114.554 0.373 0.000 2.932 492 T HA 0.205 4.555 4.350 0.000 0.000 0.318 492 T C -0.137 174.752 174.700 0.315 0.000 1.265 492 T CA -0.864 61.342 62.100 0.177 0.000 1.036 492 T CB 1.444 70.415 68.868 0.172 0.000 1.209 492 T HN -0.153 nan 8.240 nan 0.000 0.484 493 N N 1.895 120.678 118.700 0.138 0.000 2.671 493 N HA 0.192 4.932 4.740 0.000 0.000 0.274 493 N C 1.429 177.065 175.510 0.209 0.000 1.188 493 N CA 0.000 53.203 53.050 0.254 0.000 1.065 493 N CB 0.762 39.364 38.487 0.193 0.000 1.415 493 N HN 0.888 nan 8.380 nan 0.000 0.511 494 G N 1.752 110.734 108.800 0.302 0.000 2.404 494 G HA2 -0.191 3.769 3.960 0.000 0.000 0.215 494 G HA3 -0.191 3.769 3.960 0.000 0.000 0.215 494 G C 1.433 176.396 174.900 0.104 0.000 1.174 494 G CA 0.052 45.343 45.100 0.319 0.000 0.780 494 G HN 0.495 nan 8.290 nan 0.000 0.537 495 L N 0.431 121.688 121.223 0.057 0.000 2.081 495 L HA -0.127 4.213 4.340 0.000 0.000 0.212 495 L C 2.634 179.484 176.870 -0.033 0.000 1.080 495 L CA 1.289 56.080 54.840 -0.081 0.000 0.754 495 L CB -0.233 41.883 42.059 0.096 0.000 0.893 495 L HN 0.153 nan 8.230 nan 0.000 0.433 496 I N -0.550 120.058 120.570 0.063 0.000 2.406 496 I HA -0.219 3.951 4.170 0.000 0.000 0.249 496 I C 2.374 178.508 176.117 0.028 0.000 1.122 496 I CA 0.976 62.325 61.300 0.083 0.000 1.431 496 I CB -1.239 36.796 38.000 0.058 0.000 1.087 496 I HN 0.349 nan 8.210 nan 0.000 0.424 497 E N 1.242 121.454 120.200 0.020 0.000 2.110 497 E HA -0.208 4.142 4.350 0.000 0.000 0.193 497 E C 2.420 178.921 176.600 -0.165 0.000 0.988 497 E CA 0.786 57.215 56.400 0.048 0.000 0.804 497 E CB 0.080 29.926 29.700 0.242 0.000 0.745 497 E HN 0.381 nan 8.360 nan 0.000 0.458 498 L N -0.032 120.838 121.223 -0.588 0.000 1.989 498 L HA -0.233 4.107 4.340 0.000 0.000 0.211 498 L C 2.129 178.608 176.870 -0.652 0.000 1.071 498 L CA 1.654 55.795 54.840 -1.164 0.000 0.749 498 L CB -0.368 40.726 42.059 -1.608 0.000 0.890 498 L HN 0.300 nan 8.230 nan 0.000 0.431 499 Y N 0.390 120.467 120.300 -0.373 0.000 2.224 499 Y HA -0.278 4.273 4.550 0.000 0.000 0.289 499 Y C 2.819 178.656 175.900 -0.104 0.000 1.146 499 Y CA 1.426 59.393 58.100 -0.221 0.000 1.182 499 Y CB -0.383 37.985 38.460 -0.153 0.000 0.983 499 Y HN 0.318 nan 8.280 nan 0.000 0.524 500 Q N -0.142 119.706 119.800 0.080 0.000 2.112 500 Q HA -0.231 4.109 4.340 0.000 0.000 0.206 500 Q C 1.904 177.979 176.000 0.126 0.000 0.987 500 Q CA 1.563 57.444 55.803 0.130 0.000 0.858 500 Q CB -0.278 28.500 28.738 0.067 0.000 0.905 500 Q HN 0.568 nan 8.270 nan 0.000 0.420 501 N N 0.328 119.039 118.700 0.019 0.000 2.216 501 N HA -0.065 4.675 4.740 0.000 0.000 0.183 501 N C 1.886 177.393 175.510 -0.006 0.000 1.017 501 N CA 0.837 53.914 53.050 0.044 0.000 0.861 501 N CB 0.009 38.539 38.487 0.072 0.000 0.986 501 N HN 0.247 nan 8.380 nan 0.000 0.428 502 I N 0.772 121.279 120.570 -0.103 0.000 2.226 502 I HA -0.173 3.998 4.170 0.000 0.000 0.245 502 I C 2.461 178.466 176.117 -0.187 0.000 1.100 502 I CA 1.338 62.569 61.300 -0.114 0.000 1.374 502 I CB -0.418 37.467 38.000 -0.192 0.000 1.057 502 I HN 0.134 nan 8.210 nan 0.000 0.413 503 G N -0.926 107.759 108.800 -0.192 0.000 2.426 503 G HA2 -0.096 3.864 3.960 0.000 0.000 0.214 503 G HA3 -0.096 3.864 3.960 0.000 0.000 0.214 503 G C 1.336 175.828 174.900 -0.679 0.000 1.156 503 G CA 0.340 45.194 45.100 -0.411 0.000 0.802 503 G HN 0.452 nan 8.290 nan 0.000 0.534 504 H N -1.393 117.511 119.070 -0.276 0.000 3.058 504 H HA 0.133 4.689 4.556 0.000 0.000 0.266 504 H C 0.325 175.540 175.328 -0.187 0.000 1.135 504 H CA 0.045 55.955 56.048 -0.230 0.000 1.174 504 H CB 0.742 30.449 29.762 -0.093 0.000 1.581 504 H HN 0.341 nan 8.280 nan 0.000 0.553 505 H N 0.664 119.800 119.070 0.109 0.000 2.861 505 H HA -0.167 4.389 4.556 0.000 0.000 0.289 505 H C 0.494 175.879 175.328 0.095 0.000 1.176 505 H CA 1.358 57.456 56.048 0.083 0.000 1.146 505 H CB -1.386 28.411 29.762 0.058 0.000 1.330 505 H HN 0.624 nan 8.280 nan 0.000 0.379 506 R N -2.052 118.555 120.500 0.178 0.000 2.728 506 R HA 0.672 5.012 4.340 0.000 0.000 0.274 506 R C -1.105 175.262 176.300 0.112 0.000 1.030 506 R CA -0.736 55.447 56.100 0.138 0.000 0.876 506 R CB 1.031 31.398 30.300 0.112 0.000 1.259 506 R HN -0.035 nan 8.270 nan 0.000 0.468 507 S N -0.242 115.523 115.700 0.108 0.000 2.672 507 S HA 0.354 4.824 4.470 0.000 0.000 0.276 507 S C -1.048 173.623 174.600 0.119 0.000 1.207 507 S CA -0.465 57.795 58.200 0.101 0.000 1.002 507 S CB 0.719 63.980 63.200 0.102 0.000 0.998 507 S HN 0.627 nan 8.310 nan 0.000 0.542 508 H N 0.584 119.639 119.070 -0.025 0.000 3.108 508 H HA 0.345 4.901 4.556 0.000 0.000 0.301 508 H C -0.232 175.076 175.328 -0.034 0.000 1.139 508 H CA -0.658 55.365 56.048 -0.041 0.000 1.552 508 H CB 0.237 29.951 29.762 -0.080 0.000 1.663 508 H HN 0.438 nan 8.280 nan 0.000 0.517 509 D N 4.641 124.890 120.400 -0.251 0.000 2.123 509 D HA -0.105 4.535 4.640 0.000 0.000 0.196 509 D C -0.797 175.320 176.300 -0.305 0.000 0.992 509 D CA 0.910 54.779 54.000 -0.218 0.000 0.833 509 D CB -0.808 39.912 40.800 -0.133 0.000 0.954 509 D HN 0.529 nan 8.370 nan 0.000 0.455 510 P HA -0.074 nan 4.420 nan 0.000 0.221 510 P C 0.807 177.978 177.300 -0.216 0.000 1.145 510 P CA 1.447 64.358 63.100 -0.316 0.000 0.795 510 P CB 0.008 31.505 31.700 -0.339 0.000 0.775 511 A N -1.219 121.468 122.820 -0.222 0.000 2.178 511 A HA 0.104 4.424 4.320 0.000 0.000 0.211 511 A C 1.770 179.285 177.584 -0.114 0.000 1.157 511 A CA 1.226 53.207 52.037 -0.093 0.000 0.780 511 A CB -0.587 18.410 19.000 -0.005 0.000 0.828 511 A HN 0.205 nan 8.150 nan 0.000 0.476 512 V N -5.796 114.011 119.914 -0.177 0.000 3.368 512 V HA 0.332 4.452 4.120 0.000 0.000 0.255 512 V C 0.039 175.872 176.094 -0.436 0.000 1.466 512 V CA -0.318 61.844 62.300 -0.229 0.000 1.095 512 V CB -0.162 31.605 31.823 -0.093 0.000 0.899 512 V HN 0.039 nan 8.190 nan 0.000 0.440 513 K N 1.754 121.950 120.400 -0.339 0.000 2.234 513 K HA 0.585 4.905 4.320 0.000 0.000 0.282 513 K C -1.070 175.327 176.600 -0.338 0.000 1.039 513 K CA -0.158 55.953 56.287 -0.295 0.000 0.928 513 K CB 1.277 33.704 32.500 -0.120 0.000 1.039 513 K HN 0.343 nan 8.250 nan 0.000 0.470 514 F N -0.503 119.487 119.950 0.066 0.000 2.509 514 F HA 0.471 4.998 4.527 0.000 0.000 0.334 514 F C 1.469 177.291 175.800 0.038 0.000 1.060 514 F CA -0.763 57.274 58.000 0.062 0.000 0.997 514 F CB 0.578 39.633 39.000 0.093 0.000 1.271 514 F HN 0.542 nan 8.300 nan 0.000 0.488 515 G N -0.617 108.327 108.800 0.240 0.000 2.563 515 G HA2 0.462 4.422 3.960 0.000 0.000 0.283 515 G HA3 0.462 4.422 3.960 0.000 0.000 0.283 515 G C -0.211 174.739 174.900 0.083 0.000 1.309 515 G CA -0.549 44.622 45.100 0.119 0.000 1.022 515 G HN 0.887 nan 8.290 nan 0.000 0.501 516 G N -1.651 107.157 108.800 0.014 0.000 2.370 516 G HA2 0.459 4.419 3.960 0.000 0.000 0.272 516 G HA3 0.459 4.419 3.960 0.000 0.000 0.272 516 G C -0.778 174.037 174.900 -0.143 0.000 1.208 516 G CA -0.124 44.953 45.100 -0.039 0.000 0.856 516 G HN 0.579 nan 8.290 nan 0.000 0.500 517 V N 2.802 122.550 119.914 -0.276 0.000 2.487 517 V HA 0.229 4.349 4.120 0.000 0.000 0.298 517 V C -0.710 175.001 176.094 -0.638 0.000 1.028 517 V CA -0.883 61.062 62.300 -0.592 0.000 0.860 517 V CB 1.960 33.115 31.823 -1.114 0.000 0.991 517 V HN 0.767 nan 8.190 nan 0.000 0.427 518 D N 3.546 123.657 120.400 -0.482 0.000 2.468 518 D HA 0.258 4.898 4.640 0.000 0.000 0.218 518 D C 0.634 176.719 176.300 -0.359 0.000 1.155 518 D CA -0.250 53.562 54.000 -0.313 0.000 0.924 518 D CB 0.481 41.172 40.800 -0.182 0.000 1.029 518 D HN 0.366 nan 8.370 nan 0.000 0.515 519 F N 1.858 121.721 119.950 -0.145 0.000 2.365 519 F HA -0.130 4.397 4.527 0.000 0.000 0.300 519 F C 2.338 178.059 175.800 -0.131 0.000 1.090 519 F CA 0.227 58.144 58.000 -0.138 0.000 1.408 519 F CB -0.228 38.655 39.000 -0.195 0.000 1.060 519 F HN 0.265 nan 8.300 nan 0.000 0.534 520 V N -0.041 119.871 119.914 -0.002 0.000 2.295 520 V HA -0.296 3.824 4.120 0.000 0.000 0.246 520 V C 2.581 178.642 176.094 -0.055 0.000 1.049 520 V CA 1.907 64.168 62.300 -0.065 0.000 1.024 520 V CB -1.285 30.489 31.823 -0.082 0.000 0.648 520 V HN 0.351 nan 8.190 nan 0.000 0.447 521 A N -0.577 122.205 122.820 -0.063 0.000 1.929 521 A HA -0.134 4.186 4.320 0.000 0.000 0.216 521 A C 2.150 179.711 177.584 -0.038 0.000 1.176 521 A CA 1.698 53.703 52.037 -0.055 0.000 0.628 521 A CB -0.520 18.439 19.000 -0.068 0.000 0.816 521 A HN 0.434 nan 8.150 nan 0.000 0.444 522 L N -0.154 121.042 121.223 -0.045 0.000 2.012 522 L HA -0.162 4.178 4.340 0.000 0.000 0.210 522 L C 2.806 179.712 176.870 0.061 0.000 1.073 522 L CA 2.178 57.023 54.840 0.009 0.000 0.748 522 L CB -0.557 41.518 42.059 0.026 0.000 0.891 522 L HN 0.363 nan 8.230 nan 0.000 0.431 523 A N -1.170 121.691 122.820 0.069 0.000 1.877 523 A HA -0.264 4.056 4.320 0.000 0.000 0.216 523 A C 2.249 179.847 177.584 0.023 0.000 1.186 523 A CA 1.942 54.014 52.037 0.058 0.000 0.620 523 A CB -0.680 18.321 19.000 0.002 0.000 0.822 523 A HN 0.553 nan 8.150 nan 0.000 0.443 524 E N -0.555 119.645 120.200 -0.001 0.000 2.150 524 E HA -0.008 4.342 4.350 0.000 0.000 0.193 524 E C 2.153 178.759 176.600 0.010 0.000 0.985 524 E CA 0.766 57.166 56.400 0.001 0.000 0.814 524 E CB -0.219 29.474 29.700 -0.011 0.000 0.752 524 E HN 0.605 nan 8.360 nan 0.000 0.466 525 A N 1.094 123.920 122.820 0.010 0.000 1.978 525 A HA -0.174 4.146 4.320 0.000 0.000 0.220 525 A C 1.733 179.330 177.584 0.022 0.000 1.170 525 A CA 1.245 53.289 52.037 0.012 0.000 0.636 525 A CB -0.292 18.714 19.000 0.009 0.000 0.810 525 A HN 0.193 nan 8.150 nan 0.000 0.448 526 N N -0.974 117.745 118.700 0.032 0.000 2.398 526 N HA 0.113 4.853 4.740 0.000 0.000 0.188 526 N C 0.977 176.508 175.510 0.035 0.000 1.122 526 N CA 0.875 53.947 53.050 0.036 0.000 0.866 526 N CB 0.366 38.883 38.487 0.050 0.000 0.970 526 N HN 0.631 nan 8.380 nan 0.000 0.462 527 G N 0.557 109.376 108.800 0.031 0.000 2.132 527 G HA2 -0.232 3.728 3.960 0.000 0.000 0.234 527 G HA3 -0.232 3.728 3.960 0.000 0.000 0.234 527 G C -0.211 174.714 174.900 0.042 0.000 0.989 527 G CA -0.124 44.995 45.100 0.033 0.000 0.676 527 G HN 0.151 nan 8.290 nan 0.000 0.522 528 V N 1.287 121.225 119.914 0.040 0.000 2.384 528 V HA 0.428 4.548 4.120 0.000 0.000 0.287 528 V C 0.060 176.167 176.094 0.022 0.000 1.020 528 V CA -1.159 61.167 62.300 0.044 0.000 0.850 528 V CB 1.615 33.462 31.823 0.041 0.000 0.987 528 V HN 0.242 nan 8.190 nan 0.000 0.436 529 D N 3.367 123.811 120.400 0.074 0.000 2.382 529 D HA 0.636 5.276 4.640 0.000 0.000 0.240 529 D C 0.209 176.414 176.300 -0.158 0.000 1.146 529 D CA 0.537 54.587 54.000 0.083 0.000 0.897 529 D CB 1.647 42.620 40.800 0.287 0.000 1.197 529 D HN 0.855 nan 8.370 nan 0.000 0.432 530 A N 0.586 123.251 122.820 -0.258 0.000 2.599 530 A HA 0.751 5.071 4.320 0.000 0.000 0.290 530 A C -0.669 176.686 177.584 -0.382 0.000 1.101 530 A CA -0.558 51.126 52.037 -0.588 0.000 0.674 530 A CB 2.207 21.003 19.000 -0.339 0.000 1.277 530 A HN 0.435 nan 8.150 nan 0.000 0.419 531 T N -0.696 113.613 114.554 -0.408 0.000 2.830 531 T HA 0.547 4.897 4.350 0.000 0.000 0.322 531 T C -1.466 173.141 174.700 -0.155 0.000 1.501 531 T CA -0.532 61.466 62.100 -0.170 0.000 1.036 531 T CB 1.339 70.205 68.868 -0.003 0.000 1.379 531 T HN 0.890 nan 8.240 nan 0.000 0.493 532 R N 1.504 121.951 120.500 -0.088 0.000 2.407 532 R HA 0.808 5.149 4.340 0.000 0.000 0.303 532 R C -1.113 175.151 176.300 -0.059 0.000 0.981 532 R CA -0.481 55.572 56.100 -0.079 0.000 0.905 532 R CB 1.094 31.357 30.300 -0.060 0.000 1.099 532 R HN 0.690 nan 8.270 nan 0.000 0.459 533 A N 2.142 124.921 122.820 -0.070 0.000 2.374 533 A HA 0.369 4.689 4.320 0.000 0.000 0.305 533 A C 0.101 177.647 177.584 -0.065 0.000 1.053 533 A CA -0.622 51.381 52.037 -0.056 0.000 0.726 533 A CB 1.650 20.617 19.000 -0.055 0.000 1.229 533 A HN 0.856 nan 8.150 nan 0.000 0.431 534 T N -1.591 112.932 114.554 -0.052 0.000 3.043 534 T HA 0.332 4.682 4.350 0.000 0.000 0.272 534 T C 0.111 174.783 174.700 -0.047 0.000 0.990 534 T CA 0.309 62.377 62.100 -0.054 0.000 0.897 534 T CB -0.738 68.103 68.868 -0.044 0.000 1.111 534 T HN 0.958 nan 8.240 nan 0.000 0.529 535 N N -0.416 118.257 118.700 -0.044 0.000 3.106 535 N HA 0.403 5.143 4.740 0.000 0.000 0.253 535 N C 0.389 175.876 175.510 -0.039 0.000 1.506 535 N CA -1.141 51.886 53.050 -0.038 0.000 0.876 535 N CB 0.908 39.377 38.487 -0.030 0.000 1.452 535 N HN -0.184 nan 8.380 nan 0.000 0.542 536 R N 0.002 120.481 120.500 -0.035 0.000 2.096 536 R HA -0.133 4.207 4.340 0.000 0.000 0.240 536 R C 1.079 177.365 176.300 -0.023 0.000 1.139 536 R CA 2.075 58.156 56.100 -0.031 0.000 0.952 536 R CB -0.318 29.966 30.300 -0.027 0.000 0.854 536 R HN 0.694 nan 8.270 nan 0.000 0.436 537 E N 0.222 120.409 120.200 -0.022 0.000 2.051 537 E HA -0.203 4.147 4.350 0.000 0.000 0.192 537 E C 1.963 178.554 176.600 -0.015 0.000 0.991 537 E CA 1.279 57.669 56.400 -0.016 0.000 0.799 537 E CB 0.050 29.740 29.700 -0.017 0.000 0.748 537 E HN 0.414 nan 8.360 nan 0.000 0.449 538 E N 0.286 120.475 120.200 -0.018 0.000 2.106 538 E HA -0.173 4.177 4.350 0.000 0.000 0.192 538 E C 2.069 178.661 176.600 -0.015 0.000 0.984 538 E CA 0.442 56.833 56.400 -0.015 0.000 0.806 538 E CB 0.019 29.707 29.700 -0.021 0.000 0.750 538 E HN 0.086 nan 8.360 nan 0.000 0.458 539 L N 0.984 122.191 121.223 -0.026 0.000 2.027 539 L HA -0.142 4.198 4.340 0.000 0.000 0.206 539 L C 2.047 178.904 176.870 -0.022 0.000 1.074 539 L CA 1.517 56.337 54.840 -0.033 0.000 0.745 539 L CB -0.410 41.620 42.059 -0.048 0.000 0.898 539 L HN 0.113 nan 8.230 nan 0.000 0.433 540 L N -0.663 120.552 121.223 -0.013 0.000 2.042 540 L HA -0.218 4.122 4.340 0.000 0.000 0.210 540 L C 2.631 179.499 176.870 -0.004 0.000 1.076 540 L CA 1.282 56.120 54.840 -0.003 0.000 0.749 540 L CB -0.897 41.164 42.059 0.003 0.000 0.893 540 L HN 0.388 nan 8.230 nan 0.000 0.432 541 A N -0.187 122.630 122.820 -0.005 0.000 1.898 541 A HA -0.133 4.187 4.320 0.000 0.000 0.216 541 A C 2.513 180.093 177.584 -0.007 0.000 1.181 541 A CA 1.649 53.681 52.037 -0.007 0.000 0.620 541 A CB -0.641 18.357 19.000 -0.004 0.000 0.819 541 A HN 0.403 nan 8.150 nan 0.000 0.442 542 A N -0.357 122.477 122.820 0.024 0.000 1.898 542 A HA 0.026 4.346 4.320 0.000 0.000 0.216 542 A C 2.167 179.788 177.584 0.061 0.000 1.181 542 A CA 1.391 53.493 52.037 0.108 0.000 0.620 542 A CB -0.554 18.532 19.000 0.143 0.000 0.819 542 A HN 0.451 nan 8.150 nan 0.000 0.442 543 L N -1.079 120.132 121.223 -0.020 0.000 2.056 543 L HA -0.168 4.172 4.340 0.000 0.000 0.207 543 L C 2.870 179.694 176.870 -0.077 0.000 1.078 543 L CA 1.444 56.217 54.840 -0.113 0.000 0.749 543 L CB -0.414 41.564 42.059 -0.134 0.000 0.901 543 L HN 0.327 nan 8.230 nan 0.000 0.433 544 R N -0.142 120.338 120.500 -0.034 0.000 2.096 544 R HA -0.185 4.155 4.340 0.000 0.000 0.235 544 R C 2.321 178.572 176.300 -0.081 0.000 1.127 544 R CA 1.293 57.381 56.100 -0.020 0.000 0.968 544 R CB -0.222 30.073 30.300 -0.008 0.000 0.861 544 R HN 0.275 nan 8.270 nan 0.000 0.440 545 K N 0.273 120.583 120.400 -0.150 0.000 2.002 545 K HA -0.120 4.200 4.320 0.000 0.000 0.209 545 K C 2.118 178.458 176.600 -0.433 0.000 1.048 545 K CA 1.684 57.802 56.287 -0.281 0.000 0.930 545 K CB -0.368 31.928 32.500 -0.339 0.000 0.714 545 K HN 0.224 nan 8.250 nan 0.000 0.438 546 G N 0.572 109.061 108.800 -0.519 0.000 2.476 546 G HA2 -0.320 3.640 3.960 0.000 0.000 0.218 546 G HA3 -0.320 3.640 3.960 0.000 0.000 0.218 546 G C 1.604 176.426 174.900 -0.131 0.000 1.164 546 G CA 1.205 46.059 45.100 -0.410 0.000 0.768 546 G HN 0.481 nan 8.290 nan 0.000 0.560 547 A N 0.227 123.029 122.820 -0.030 0.000 1.933 547 A HA 0.201 4.521 4.320 0.000 0.000 0.218 547 A C 2.276 179.886 177.584 0.044 0.000 1.175 547 A CA 2.466 54.572 52.037 0.114 0.000 0.628 547 A CB -0.588 18.548 19.000 0.226 0.000 0.814 547 A HN 0.638 nan 8.150 nan 0.000 0.444 548 E N -0.928 119.257 120.200 -0.024 0.000 2.479 548 E HA 0.362 4.712 4.350 0.000 0.000 0.193 548 E C 1.610 178.177 176.600 -0.055 0.000 1.049 548 E CA 0.615 56.998 56.400 -0.029 0.000 0.870 548 E CB -0.586 29.093 29.700 -0.034 0.000 0.944 548 E HN 0.459 nan 8.360 nan 0.000 0.492 549 L N -0.081 121.085 121.223 -0.095 0.000 2.141 549 L HA 0.222 4.562 4.340 0.000 0.000 0.209 549 L C 2.150 178.995 176.870 -0.041 0.000 1.094 549 L CA 2.056 56.830 54.840 -0.109 0.000 0.763 549 L CB -0.138 41.805 42.059 -0.194 0.000 0.908 549 L HN 0.540 nan 8.230 nan 0.000 0.437 550 G N -0.353 108.441 108.800 -0.010 0.000 2.153 550 G HA2 -0.310 3.651 3.960 0.000 0.000 0.252 550 G HA3 -0.310 3.651 3.960 0.000 0.000 0.252 550 G C 0.533 175.448 174.900 0.024 0.000 0.994 550 G CA 0.574 45.681 45.100 0.011 0.000 0.698 550 G HN 0.443 nan 8.290 nan 0.000 0.521 551 R N -0.365 120.155 120.500 0.034 0.000 2.739 551 R HA 0.452 4.792 4.340 0.000 0.000 0.271 551 R C -2.664 173.693 176.300 0.095 0.000 1.010 551 R CA -1.902 54.233 56.100 0.059 0.000 0.897 551 R CB 2.312 32.648 30.300 0.060 0.000 1.236 551 R HN 0.030 nan 8.270 nan 0.000 0.466 552 P HA 0.031 nan 4.420 nan 0.000 0.268 552 P C -1.040 176.398 177.300 0.231 0.000 1.208 552 P CA 0.362 63.543 63.100 0.136 0.000 0.777 552 P CB 0.493 32.253 31.700 0.100 0.000 0.875 553 F N 1.595 121.541 119.950 -0.008 0.000 2.628 553 F HA 0.540 5.067 4.527 0.000 0.000 0.309 553 F C -1.670 174.095 175.800 -0.059 0.000 1.108 553 F CA -1.025 56.956 58.000 -0.033 0.000 0.971 553 F CB 1.509 40.481 39.000 -0.048 0.000 1.279 553 F HN 0.163 nan 8.300 nan 0.000 0.441 554 L N 6.467 127.352 121.223 -0.562 0.000 2.365 554 L HA 0.764 5.104 4.340 0.000 0.000 0.273 554 L C -1.577 174.916 176.870 -0.628 0.000 1.000 554 L CA -0.497 54.069 54.840 -0.456 0.000 0.819 554 L CB 1.629 43.513 42.059 -0.292 0.000 1.284 554 L HN 0.583 nan 8.230 nan 0.000 0.418 555 I N 4.000 124.315 120.570 -0.424 0.000 2.418 555 I HA 0.364 4.534 4.170 0.000 0.000 0.287 555 I C -0.547 175.393 176.117 -0.294 0.000 1.008 555 I CA -0.448 60.652 61.300 -0.333 0.000 1.104 555 I CB 1.879 39.751 38.000 -0.214 0.000 1.264 555 I HN 0.596 nan 8.210 nan 0.000 0.438 556 E N 6.207 126.265 120.200 -0.236 0.000 2.200 556 E HA 0.507 4.857 4.350 0.000 0.000 0.283 556 E C -1.484 175.020 176.600 -0.160 0.000 1.015 556 E CA -0.548 55.732 56.400 -0.199 0.000 0.819 556 E CB 1.528 31.175 29.700 -0.088 0.000 1.081 556 E HN 0.385 nan 8.360 nan 0.000 0.397 557 V N 7.059 126.864 119.914 -0.181 0.000 2.444 557 V HA 0.343 4.463 4.120 0.000 0.000 0.294 557 V C -2.291 173.715 176.094 -0.147 0.000 1.022 557 V CA -2.034 60.175 62.300 -0.153 0.000 0.850 557 V CB 1.451 33.172 31.823 -0.170 0.000 0.992 557 V HN 0.715 nan 8.190 nan 0.000 0.426 558 P HA 0.280 nan 4.420 nan 0.000 0.271 558 P C -0.585 176.620 177.300 -0.158 0.000 1.220 558 P CA 0.181 63.214 63.100 -0.110 0.000 0.768 558 P CB 1.259 32.913 31.700 -0.078 0.000 0.848 559 V N 1.114 120.904 119.914 -0.206 0.000 3.141 559 V HA 0.718 4.838 4.120 0.000 0.000 0.312 559 V C -0.803 175.071 176.094 -0.366 0.000 1.157 559 V CA -0.971 61.142 62.300 -0.312 0.000 1.041 559 V CB 2.350 33.928 31.823 -0.409 0.000 1.071 559 V HN 0.413 nan 8.190 nan 0.000 0.441 560 N N -0.392 118.034 118.700 -0.456 0.000 2.525 560 N HA 0.676 5.416 4.740 0.000 0.000 0.270 560 N C -0.975 174.217 175.510 -0.529 0.000 1.321 560 N CA -0.551 52.224 53.050 -0.459 0.000 0.797 560 N CB 2.095 40.436 38.487 -0.244 0.000 1.529 560 N HN 0.728 nan 8.380 nan 0.000 0.491 561 Y N -0.007 120.255 120.300 -0.062 0.000 2.506 561 Y HA 0.236 4.786 4.550 0.000 0.000 0.287 561 Y C 0.195 176.101 175.900 0.010 0.000 1.147 561 Y CA 0.036 58.178 58.100 0.070 0.000 1.241 561 Y CB 0.131 38.778 38.460 0.311 0.000 1.279 561 Y HN 0.611 nan 8.280 nan 0.000 0.527 562 D N 0.845 121.197 120.400 -0.080 0.000 2.803 562 D HA -0.202 4.438 4.640 0.000 0.000 0.233 562 D C -1.001 175.373 176.300 0.122 0.000 1.182 562 D CA 0.211 54.166 54.000 -0.075 0.000 0.726 562 D CB -1.244 39.558 40.800 0.004 0.000 0.987 562 D HN 0.127 nan 8.370 nan 0.000 0.412 563 F N -1.234 118.913 119.950 0.329 0.000 2.377 563 F HA 0.657 5.184 4.527 0.000 0.000 0.328 563 F C 0.689 176.656 175.800 0.279 0.000 1.094 563 F CA -0.862 57.361 58.000 0.371 0.000 1.093 563 F CB 0.232 39.412 39.000 0.299 0.000 1.214 563 F HN 0.075 nan 8.300 nan 0.000 0.518 564 Q N 2.309 122.477 119.800 0.613 0.000 2.425 564 Q HA 0.409 4.749 4.340 0.000 0.000 0.254 564 Q C -2.378 173.880 176.000 0.429 0.000 1.032 564 Q CA -2.003 54.043 55.803 0.405 0.000 0.798 564 Q CB 0.255 29.151 28.738 0.264 0.000 1.210 564 Q HN 0.585 nan 8.270 nan 0.000 0.491 565 P HA -0.199 nan 4.420 nan 0.000 0.217 565 P C 1.543 178.994 177.300 0.252 0.000 1.148 565 P CA 1.833 65.076 63.100 0.239 0.000 0.828 565 P CB -0.143 31.646 31.700 0.147 0.000 0.783 566 G N 0.032 108.935 108.800 0.172 0.000 2.448 566 G HA2 -0.167 3.793 3.960 0.000 0.000 0.219 566 G HA3 -0.167 3.793 3.960 0.000 0.000 0.219 566 G C 1.648 176.570 174.900 0.037 0.000 1.127 566 G CA 0.746 45.902 45.100 0.094 0.000 0.766 566 G HN 0.440 nan 8.290 nan 0.000 0.552 567 G N -0.484 108.305 108.800 -0.019 0.000 2.848 567 G HA2 0.199 4.159 3.960 0.000 0.000 0.208 567 G HA3 0.199 4.159 3.960 0.000 0.000 0.208 567 G C 0.515 175.145 174.900 -0.450 0.000 1.152 567 G CA -0.227 44.719 45.100 -0.257 0.000 0.789 567 G HN 0.338 nan 8.290 nan 0.000 0.531 568 F N 0.363 120.268 119.950 -0.074 0.000 2.735 568 F HA 0.304 4.831 4.527 0.000 0.000 0.304 568 F C 2.106 177.809 175.800 -0.161 0.000 1.119 568 F CA -0.564 57.347 58.000 -0.148 0.000 1.280 568 F CB 0.739 39.601 39.000 -0.230 0.000 0.994 568 F HN 0.067 nan 8.300 nan 0.000 0.520 569 G N 0.289 109.086 108.800 -0.005 0.000 2.479 569 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 569 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 569 G C 1.854 176.722 174.900 -0.055 0.000 1.115 569 G CA 0.899 45.982 45.100 -0.028 0.000 0.757 569 G HN 0.418 nan 8.290 nan 0.000 0.560 570 A N 0.357 123.134 122.820 -0.072 0.000 2.172 570 A HA 0.188 4.508 4.320 0.000 0.000 0.216 570 A C 2.209 179.725 177.584 -0.113 0.000 1.154 570 A CA 0.682 52.666 52.037 -0.088 0.000 0.701 570 A CB -0.224 18.725 19.000 -0.085 0.000 0.789 570 A HN 0.396 nan 8.150 nan 0.000 0.465 571 L N 0.711 121.856 121.223 -0.131 0.000 2.478 571 L HA -0.042 4.298 4.340 0.000 0.000 0.223 571 L C 1.639 178.460 176.870 -0.082 0.000 1.140 571 L CA 0.281 55.026 54.840 -0.160 0.000 0.842 571 L CB -1.006 40.915 42.059 -0.231 0.000 0.953 571 L HN 0.575 nan 8.230 nan 0.000 0.452 572 S N 0.000 115.662 115.700 -0.064 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 572 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517