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 1upa_1_B DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGXTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP XSKYAVELQR PHEITDLVDS AVNAAXTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXPNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY XDGILNFPAL QTXFAPVDLV LTVGYDYAED LRPSXWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG XRVHQVIDSX NTVXEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQXA 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 63.053 63.100 -0.078 0.000 0.800 12 P CB 0.000 31.644 31.700 -0.093 0.000 0.726 13 T N 0.047 114.629 114.554 0.046 0.000 2.926 13 T HA 0.649 4.998 4.350 -0.000 0.000 0.289 13 T C 1.331 176.077 174.700 0.076 0.000 1.054 13 T CA 0.237 62.366 62.100 0.048 0.000 1.015 13 T CB 1.738 70.615 68.868 0.015 0.000 1.167 13 T HN 0.329 nan 8.240 nan 0.000 0.526 14 A N 0.865 123.717 122.820 0.054 0.000 1.986 14 A HA 0.029 4.349 4.320 -0.000 0.000 0.220 14 A C 2.407 180.014 177.584 0.039 0.000 1.171 14 A CA 2.289 54.355 52.037 0.049 0.000 0.640 14 A CB -1.117 17.907 19.000 0.039 0.000 0.811 14 A HN 0.910 nan 8.150 nan 0.000 0.451 15 A N -0.783 122.051 122.820 0.025 0.000 1.883 15 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 15 A C 2.023 179.597 177.584 -0.017 0.000 1.186 15 A CA 2.187 54.210 52.037 -0.023 0.000 0.624 15 A CB -0.896 18.047 19.000 -0.094 0.000 0.822 15 A HN 0.786 nan 8.150 nan 0.000 0.444 16 H N -0.042 118.989 119.070 -0.066 0.000 2.321 16 H HA 0.029 4.585 4.556 -0.000 0.000 0.300 16 H C 2.138 177.453 175.328 -0.022 0.000 1.087 16 H CA 2.095 58.113 56.048 -0.050 0.000 1.319 16 H CB -0.327 29.410 29.762 -0.041 0.000 1.379 16 H HN 0.374 nan 8.280 nan 0.000 0.501 17 A N 0.466 123.245 122.820 -0.069 0.000 1.972 17 A HA -0.086 4.233 4.320 -0.000 0.000 0.219 17 A C 2.370 179.904 177.584 -0.084 0.000 1.169 17 A CA 1.453 53.428 52.037 -0.104 0.000 0.635 17 A CB -0.825 18.175 19.000 0.001 0.000 0.810 17 A HN 0.483 nan 8.150 nan 0.000 0.446 18 L N -0.181 121.023 121.223 -0.032 0.000 1.976 18 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 18 L C 2.288 179.163 176.870 0.009 0.000 1.071 18 L CA 1.800 56.651 54.840 0.018 0.000 0.746 18 L CB -0.703 41.406 42.059 0.083 0.000 0.890 18 L HN 0.389 nan 8.230 nan 0.000 0.432 19 L N -0.937 120.270 121.223 -0.027 0.000 2.083 19 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 19 L C 2.730 179.560 176.870 -0.067 0.000 1.083 19 L CA 1.544 56.374 54.840 -0.016 0.000 0.752 19 L CB -0.747 41.290 42.059 -0.037 0.000 0.899 19 L HN 0.455 nan 8.230 nan 0.000 0.433 20 S N -0.284 115.309 115.700 -0.177 0.000 2.383 20 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 20 S C 2.164 176.685 174.600 -0.133 0.000 1.026 20 S CA 1.203 59.280 58.200 -0.206 0.000 0.981 20 S CB -0.059 62.902 63.200 -0.399 0.000 0.818 20 S HN 0.243 nan 8.310 nan 0.000 0.472 21 R N 0.924 121.359 120.500 -0.109 0.000 2.093 21 R HA 0.277 4.617 4.340 -0.000 0.000 0.224 21 R C 2.194 178.436 176.300 -0.097 0.000 1.101 21 R CA 1.114 57.141 56.100 -0.121 0.000 0.979 21 R CB -0.943 29.309 30.300 -0.079 0.000 0.877 21 R HN 0.480 nan 8.270 nan 0.000 0.441 22 L N -0.017 121.208 121.223 0.004 0.000 2.012 22 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 22 L C 2.690 179.587 176.870 0.045 0.000 1.073 22 L CA 1.863 56.748 54.840 0.076 0.000 0.748 22 L CB -0.471 41.653 42.059 0.108 0.000 0.891 22 L HN 0.231 nan 8.230 nan 0.000 0.431 23 R N 0.121 120.622 120.500 0.002 0.000 2.105 23 R HA -0.190 4.149 4.340 -0.000 0.000 0.239 23 R C 1.837 178.119 176.300 -0.031 0.000 1.135 23 R CA 1.829 57.925 56.100 -0.006 0.000 0.967 23 R CB -0.184 30.104 30.300 -0.020 0.000 0.861 23 R HN 0.363 nan 8.270 nan 0.000 0.442 24 D N -0.336 120.007 120.400 -0.096 0.000 2.182 24 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 24 D C 1.109 177.329 176.300 -0.134 0.000 0.986 24 D CA 1.179 55.090 54.000 -0.148 0.000 0.847 24 D CB -0.274 40.374 40.800 -0.253 0.000 0.942 24 D HN 0.366 nan 8.370 nan 0.000 0.467 25 H N -0.731 118.340 119.070 0.002 0.000 2.555 25 H HA 0.300 4.855 4.556 -0.000 0.000 0.283 25 H C 1.540 176.874 175.328 0.010 0.000 1.037 25 H CA 0.622 56.673 56.048 0.004 0.000 1.169 25 H CB 0.102 29.866 29.762 0.004 0.000 1.375 25 H HN 0.203 nan 8.280 nan 0.000 0.582 26 G N 0.379 109.237 108.800 0.097 0.000 2.179 26 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.260 26 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.260 26 G C 0.291 175.227 174.900 0.060 0.000 0.977 26 G CA 0.326 45.466 45.100 0.067 0.000 0.641 26 G HN 0.263 nan 8.290 nan 0.000 0.533 27 V N 0.824 120.781 119.914 0.071 0.000 2.508 27 V HA 0.557 4.677 4.120 -0.000 0.000 0.281 27 V C 1.529 177.645 176.094 0.036 0.000 1.041 27 V CA 1.030 63.368 62.300 0.064 0.000 1.016 27 V CB 1.288 33.163 31.823 0.088 0.000 0.984 27 V HN 0.606 nan 8.190 nan 0.000 0.478 28 G N 4.548 113.357 108.800 0.016 0.000 3.062 28 G HA2 0.187 4.147 3.960 -0.000 0.000 0.228 28 G HA3 0.187 4.147 3.960 -0.000 0.000 0.228 28 G C 0.439 175.303 174.900 -0.060 0.000 1.094 28 G CA -0.127 44.967 45.100 -0.010 0.000 0.782 28 G HN 0.495 nan 8.290 nan 0.000 0.541 29 K N 0.584 120.928 120.400 -0.094 0.000 2.422 29 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 29 K C -1.557 174.902 176.600 -0.236 0.000 0.933 29 K CA -0.642 55.486 56.287 -0.263 0.000 0.798 29 K CB 3.005 35.209 32.500 -0.494 0.000 1.238 29 K HN -0.127 nan 8.250 nan 0.000 0.428 30 V N 3.409 123.117 119.914 -0.344 0.000 2.378 30 V HA 0.404 4.523 4.120 -0.000 0.000 0.288 30 V C -0.716 174.944 176.094 -0.724 0.000 1.016 30 V CA -0.830 61.302 62.300 -0.280 0.000 0.840 30 V CB 0.460 32.242 31.823 -0.068 0.000 0.994 30 V HN 0.519 nan 8.190 nan 0.000 0.431 31 F N 3.150 122.855 119.950 -0.409 0.000 2.396 31 F HA 0.829 5.356 4.527 -0.001 0.000 0.343 31 F C 1.008 176.551 175.800 -0.429 0.000 1.104 31 F CA 0.390 58.095 58.000 -0.492 0.000 1.161 31 F CB 1.712 40.558 39.000 -0.256 0.000 1.146 31 F HN 0.709 nan 8.300 nan 0.000 0.522 32 G N 0.948 109.541 108.800 -0.345 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 -2.376 172.702 174.900 0.296 0.000 1.287 32 G CA -0.794 44.360 45.100 0.091 0.000 0.846 32 G HN 0.447 nan 8.290 nan 0.000 0.508 33 V N 0.356 120.524 119.914 0.423 0.000 2.483 33 V HA 0.578 4.698 4.120 -0.000 0.000 0.297 33 V C 0.084 176.416 176.094 0.396 0.000 1.027 33 V CA -0.719 61.791 62.300 0.350 0.000 0.855 33 V CB 1.377 33.311 31.823 0.185 0.000 0.995 33 V HN 0.721 nan 8.190 nan 0.000 0.424 34 V N 4.149 124.184 119.914 0.201 0.000 2.509 34 V HA 0.716 4.835 4.120 -0.000 0.000 0.284 34 V C 0.965 177.153 176.094 0.157 0.000 1.047 34 V CA 0.347 62.739 62.300 0.154 0.000 0.952 34 V CB 1.221 32.930 31.823 -0.189 0.000 0.988 34 V HN 0.965 nan 8.190 nan 0.000 0.469 35 G N 3.510 112.444 108.800 0.223 0.000 2.782 35 G HA2 0.311 4.271 3.960 -0.000 0.000 0.201 35 G HA3 0.311 4.271 3.960 -0.000 0.000 0.201 35 G C 0.828 175.804 174.900 0.126 0.000 1.374 35 G CA -0.238 44.953 45.100 0.151 0.000 1.039 35 G HN 0.764 nan 8.290 nan 0.000 0.576 36 R N -0.048 120.516 120.500 0.106 0.000 2.285 36 R HA -0.026 4.314 4.340 -0.000 0.000 0.213 36 R C 1.659 178.010 176.300 0.085 0.000 1.068 36 R CA 1.745 57.893 56.100 0.080 0.000 1.004 36 R CB -0.269 30.073 30.300 0.070 0.000 0.873 36 R HN 0.550 nan 8.270 nan 0.000 0.467 37 E N 1.618 121.896 120.200 0.130 0.000 2.455 37 E HA -0.159 4.190 4.350 -0.000 0.000 0.202 37 E C 1.451 178.113 176.600 0.104 0.000 1.045 37 E CA 1.175 57.663 56.400 0.148 0.000 0.872 37 E CB -0.067 29.789 29.700 0.260 0.000 0.792 37 E HN 0.512 nan 8.360 nan 0.000 0.542 38 A N 1.563 124.425 122.820 0.070 0.000 2.070 38 A HA 0.042 4.361 4.320 -0.000 0.000 0.220 38 A C 2.466 180.035 177.584 -0.025 0.000 1.159 38 A CA 1.597 53.631 52.037 -0.005 0.000 0.656 38 A CB -0.568 18.425 19.000 -0.011 0.000 0.800 38 A HN 0.433 nan 8.150 nan 0.000 0.453 39 A N -0.905 121.916 122.820 0.002 0.000 2.019 39 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 39 A C 2.277 179.851 177.584 -0.016 0.000 1.164 39 A CA 2.013 54.047 52.037 -0.005 0.000 0.644 39 A CB -0.409 18.597 19.000 0.011 0.000 0.805 39 A HN 0.437 nan 8.150 nan 0.000 0.449 40 S N -1.975 113.718 115.700 -0.012 0.000 2.497 40 S HA 0.388 4.857 4.470 -0.000 0.000 0.218 40 S C 0.317 174.867 174.600 -0.085 0.000 1.023 40 S CA 0.050 58.236 58.200 -0.022 0.000 0.913 40 S CB 0.126 63.337 63.200 0.018 0.000 0.800 40 S HN 0.508 nan 8.310 nan 0.000 0.505 41 I N 0.940 121.416 120.570 -0.156 0.000 2.586 41 I HA 0.312 4.482 4.170 -0.000 0.000 0.288 41 I C -0.177 175.689 176.117 -0.420 0.000 1.147 41 I CA -0.506 60.571 61.300 -0.373 0.000 1.047 41 I CB 1.319 38.956 38.000 -0.605 0.000 1.244 41 I HN 0.024 nan 8.210 nan 0.000 0.429 42 L N 6.841 127.851 121.223 -0.355 0.000 2.202 42 L HA 0.204 4.544 4.340 -0.000 0.000 0.205 42 L C 0.389 177.186 176.870 -0.122 0.000 1.083 42 L CA 0.865 55.586 54.840 -0.198 0.000 0.790 42 L CB 0.013 42.003 42.059 -0.115 0.000 0.942 42 L HN 0.840 nan 8.230 nan 0.000 0.452 43 F N -0.381 119.443 119.950 -0.210 0.000 2.482 43 F HA -0.220 4.307 4.527 -0.000 0.000 0.321 43 F C 0.789 176.537 175.800 -0.087 0.000 0.626 43 F CA 0.642 58.536 58.000 -0.177 0.000 1.642 43 F CB -1.796 37.053 39.000 -0.252 0.000 2.098 43 F HN 0.350 nan 8.300 nan 0.000 0.295 44 D N -0.692 119.720 120.400 0.021 0.000 2.431 44 D HA 0.151 4.790 4.640 -0.000 0.000 0.213 44 D C 1.276 177.585 176.300 0.014 0.000 1.130 44 D CA 0.358 54.372 54.000 0.024 0.000 0.834 44 D CB -0.051 40.753 40.800 0.007 0.000 0.985 44 D HN 0.307 nan 8.370 nan 0.000 0.504 45 E N -0.156 120.046 120.200 0.003 0.000 2.204 45 E HA 0.041 4.390 4.350 -0.000 0.000 0.194 45 E C 0.068 176.760 176.600 0.153 0.000 0.989 45 E CA 0.674 57.109 56.400 0.059 0.000 0.824 45 E CB 0.381 30.130 29.700 0.081 0.000 0.756 45 E HN 0.133 nan 8.360 nan 0.000 0.477 46 V N 1.144 121.117 119.914 0.099 0.000 2.525 46 V HA 0.138 4.258 4.120 -0.000 0.000 0.299 46 V C -0.363 175.762 176.094 0.051 0.000 1.034 46 V CA -1.027 61.324 62.300 0.085 0.000 0.863 46 V CB 1.779 33.611 31.823 0.015 0.000 0.999 46 V HN 0.025 nan 8.190 nan 0.000 0.423 47 E N 2.994 123.222 120.200 0.046 0.000 2.376 47 E HA 0.401 4.751 4.350 -0.000 0.000 0.266 47 E C 1.196 177.808 176.600 0.020 0.000 1.009 47 E CA 1.114 57.532 56.400 0.029 0.000 0.902 47 E CB 0.663 30.378 29.700 0.025 0.000 0.972 47 E HN 1.094 nan 8.360 nan 0.000 0.439 48 G N 3.956 112.765 108.800 0.015 0.000 2.175 48 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 48 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 48 G C 0.039 174.943 174.900 0.007 0.000 0.982 48 G CA 0.108 45.213 45.100 0.008 0.000 0.641 48 G HN 0.570 nan 8.290 nan 0.000 0.527 49 I N 1.614 122.195 120.570 0.017 0.000 2.447 49 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 49 I C -1.422 174.716 176.117 0.034 0.000 1.023 49 I CA -0.917 60.396 61.300 0.022 0.000 1.083 49 I CB 1.312 39.337 38.000 0.042 0.000 1.245 49 I HN -0.031 nan 8.210 nan 0.000 0.434 50 D N 6.857 127.250 120.400 -0.012 0.000 2.342 50 D HA 0.280 4.919 4.640 -0.000 0.000 0.243 50 D C -1.031 175.217 176.300 -0.087 0.000 1.019 50 D CA -0.145 53.843 54.000 -0.020 0.000 0.864 50 D CB 2.458 43.220 40.800 -0.064 0.000 1.315 50 D HN 0.240 nan 8.370 nan 0.000 0.468 51 F N 1.211 121.021 119.950 -0.234 0.000 2.410 51 F HA 0.284 4.811 4.527 -0.001 0.000 0.348 51 F C -0.230 175.366 175.800 -0.340 0.000 1.106 51 F CA -0.392 57.364 58.000 -0.407 0.000 1.163 51 F CB 0.954 39.598 39.000 -0.593 0.000 1.129 51 F HN -0.036 nan 8.300 nan 0.000 0.516 52 V N 7.913 127.287 119.914 -0.900 0.000 2.293 52 V HA 0.209 4.329 4.120 -0.000 0.000 0.275 52 V C -0.482 175.294 176.094 -0.530 0.000 1.021 52 V CA -0.826 61.114 62.300 -0.599 0.000 0.815 52 V CB 0.910 32.275 31.823 -0.764 0.000 1.025 52 V HN 0.579 nan 8.190 nan 0.000 0.448 53 L N 6.472 127.614 121.223 -0.135 0.000 2.367 53 L HA 0.613 4.953 4.340 -0.000 0.000 0.275 53 L C 0.710 177.603 176.870 0.039 0.000 1.129 53 L CA 0.953 55.844 54.840 0.085 0.000 0.839 53 L CB 1.277 43.456 42.059 0.200 0.000 1.133 53 L HN 0.859 nan 8.230 nan 0.000 0.453 54 T N 1.829 116.423 114.554 0.066 0.000 2.919 54 T HA 0.530 4.879 4.350 -0.000 0.000 0.282 54 T C 0.951 175.702 174.700 0.086 0.000 1.020 54 T CA -0.780 61.359 62.100 0.065 0.000 0.994 54 T CB 1.266 70.169 68.868 0.059 0.000 1.180 54 T HN 0.510 nan 8.240 nan 0.000 0.566 55 R N -0.333 120.219 120.500 0.086 0.000 2.210 55 R HA 0.219 4.559 4.340 -0.000 0.000 0.203 55 R C 0.492 176.892 176.300 0.166 0.000 1.010 55 R CA 0.554 56.714 56.100 0.099 0.000 1.008 55 R CB -0.549 29.791 30.300 0.067 0.000 0.923 55 R HN 0.777 nan 8.270 nan 0.000 0.469 56 H N -0.557 118.544 119.070 0.052 0.000 2.996 56 H HA 0.141 4.697 4.556 -0.000 0.000 0.368 56 H C -0.185 175.201 175.328 0.096 0.000 1.185 56 H CA -0.241 55.852 56.048 0.076 0.000 1.160 56 H CB 1.977 31.785 29.762 0.077 0.000 1.820 56 H HN -0.216 nan 8.280 nan 0.000 0.547 57 E N 2.630 122.697 120.200 -0.223 0.000 2.150 57 E HA -0.113 4.236 4.350 -0.000 0.000 0.193 57 E C 1.527 178.196 176.600 0.116 0.000 0.985 57 E CA 1.051 57.430 56.400 -0.036 0.000 0.814 57 E CB -0.054 29.596 29.700 -0.084 0.000 0.752 57 E HN 0.450 nan 8.360 nan 0.000 0.466 58 F N 1.363 121.411 119.950 0.165 0.000 2.120 58 F HA -0.261 4.266 4.527 -0.001 0.000 0.300 58 F C 2.020 177.870 175.800 0.082 0.000 1.095 58 F CA 1.726 59.837 58.000 0.186 0.000 1.249 58 F CB -0.685 38.488 39.000 0.289 0.000 0.995 58 F HN -0.076 nan 8.300 nan 0.000 0.480 59 T N 0.681 115.209 114.554 -0.043 0.000 2.788 59 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 59 T C 2.233 176.775 174.700 -0.264 0.000 1.044 59 T CA 1.374 63.329 62.100 -0.243 0.000 1.139 59 T CB -0.801 68.037 68.868 -0.051 0.000 0.867 59 T HN 0.388 nan 8.240 nan 0.000 0.454 60 A N 1.369 124.119 122.820 -0.118 0.000 1.877 60 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 60 A C 2.628 180.082 177.584 -0.217 0.000 1.186 60 A CA 1.884 53.863 52.037 -0.097 0.000 0.620 60 A CB -1.365 17.659 19.000 0.041 0.000 0.822 60 A HN 0.505 nan 8.150 nan 0.000 0.443 61 G N -0.708 107.996 108.800 -0.159 0.000 2.418 61 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.217 61 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.217 61 G C 1.497 176.237 174.900 -0.267 0.000 1.158 61 G CA 1.266 46.278 45.100 -0.146 0.000 0.771 61 G HN 0.325 nan 8.290 nan 0.000 0.545 62 V N 1.497 121.159 119.914 -0.420 0.000 2.358 62 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 62 V C 3.312 179.102 176.094 -0.505 0.000 1.047 62 V CA 1.822 63.845 62.300 -0.462 0.000 1.035 62 V CB -0.771 30.637 31.823 -0.692 0.000 0.658 62 V HN 0.467 nan 8.190 nan 0.000 0.452 63 A N 0.223 122.667 122.820 -0.625 0.000 1.908 63 A HA -0.174 4.145 4.320 -0.000 0.000 0.218 63 A C 2.420 179.462 177.584 -0.904 0.000 1.181 63 A CA 2.280 53.823 52.037 -0.824 0.000 0.627 63 A CB -0.776 17.535 19.000 -1.147 0.000 0.818 63 A HN 0.573 nan 8.150 nan 0.000 0.445 64 A N -0.137 122.176 122.820 -0.846 0.000 1.898 64 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 64 A C 1.960 179.402 177.584 -0.237 0.000 1.181 64 A CA 1.802 53.569 52.037 -0.450 0.000 0.620 64 A CB -0.615 18.273 19.000 -0.187 0.000 0.819 64 A HN 0.667 nan 8.150 nan 0.000 0.442 65 D N -0.006 120.258 120.400 -0.227 0.000 2.104 65 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 65 D C 1.851 178.050 176.300 -0.169 0.000 0.994 65 D CA 1.968 55.879 54.000 -0.149 0.000 0.830 65 D CB -0.015 40.719 40.800 -0.110 0.000 0.959 65 D HN 0.218 nan 8.370 nan 0.000 0.452 66 V N 0.909 120.686 119.914 -0.228 0.000 2.488 66 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 66 V C 2.558 178.534 176.094 -0.198 0.000 1.046 66 V CA 0.903 63.066 62.300 -0.228 0.000 1.053 66 V CB -0.291 31.367 31.823 -0.276 0.000 0.679 66 V HN 0.208 nan 8.190 nan 0.000 0.458 67 L N 1.027 122.142 121.223 -0.180 0.000 2.131 67 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 67 L C 2.362 179.194 176.870 -0.064 0.000 1.092 67 L CA 2.306 57.093 54.840 -0.089 0.000 0.759 67 L CB -0.793 41.254 42.059 -0.021 0.000 0.903 67 L HN 0.220 nan 8.230 nan 0.000 0.435 68 A N -0.472 122.300 122.820 -0.080 0.000 1.968 68 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 68 A C 2.498 180.030 177.584 -0.087 0.000 1.169 68 A CA 1.455 53.457 52.037 -0.058 0.000 0.638 68 A CB -0.563 18.407 19.000 -0.051 0.000 0.812 68 A HN 0.514 nan 8.150 nan 0.000 0.446 69 R N -0.169 120.229 120.500 -0.170 0.000 2.066 69 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 69 R C 1.801 177.931 176.300 -0.283 0.000 1.131 69 R CA 1.859 57.773 56.100 -0.310 0.000 0.955 69 R CB -0.354 29.634 30.300 -0.519 0.000 0.851 69 R HN 0.516 nan 8.270 nan 0.000 0.432 70 I N 0.311 120.766 120.570 -0.192 0.000 2.333 70 I HA -0.175 3.995 4.170 -0.000 0.000 0.246 70 I C 2.301 178.459 176.117 0.069 0.000 1.106 70 I CA 1.531 62.828 61.300 -0.004 0.000 1.411 70 I CB -0.313 37.687 38.000 -0.001 0.000 1.082 70 I HN 0.396 nan 8.210 nan 0.000 0.420 71 T N -1.825 112.745 114.554 0.028 0.000 2.985 71 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 71 T C 1.746 176.476 174.700 0.049 0.000 1.076 71 T CA 0.755 62.880 62.100 0.042 0.000 1.135 71 T CB -0.106 68.781 68.868 0.031 0.000 0.890 71 T HN 0.525 nan 8.240 nan 0.000 0.480 72 G N 1.882 110.707 108.800 0.042 0.000 2.162 72 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 72 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 72 G C 0.094 175.008 174.900 0.022 0.000 0.976 72 G CA 0.102 45.228 45.100 0.044 0.000 0.655 72 G HN 0.727 nan 8.290 nan 0.000 0.533 73 R N -0.260 120.250 120.500 0.017 0.000 2.778 73 R HA 0.587 4.927 4.340 -0.000 0.000 0.277 73 R C -2.922 173.383 176.300 0.008 0.000 0.977 73 R CA -2.629 53.479 56.100 0.014 0.000 0.950 73 R CB 0.464 30.781 30.300 0.028 0.000 1.165 73 R HN 0.026 nan 8.270 nan 0.000 0.474 74 P HA 0.089 nan 4.420 nan 0.000 0.268 74 P C -0.426 176.896 177.300 0.036 0.000 1.205 74 P CA 0.075 63.175 63.100 0.001 0.000 0.771 74 P CB 0.663 32.344 31.700 -0.032 0.000 0.858 75 Q N 0.881 120.707 119.800 0.045 0.000 2.873 75 Q HA 0.853 5.192 4.340 -0.000 0.000 0.297 75 Q C -0.990 175.074 176.000 0.106 0.000 1.064 75 Q CA -0.968 54.886 55.803 0.086 0.000 0.816 75 Q CB 2.264 31.052 28.738 0.084 0.000 1.481 75 Q HN 0.433 nan 8.270 nan 0.000 0.488 76 A N 0.218 123.134 122.820 0.160 0.000 2.488 76 A HA 0.750 5.070 4.320 -0.000 0.000 0.298 76 A C -0.599 177.124 177.584 0.231 0.000 1.044 76 A CA -0.543 51.603 52.037 0.182 0.000 0.693 76 A CB 0.705 19.821 19.000 0.192 0.000 1.272 76 A HN 0.821 nan 8.150 nan 0.000 0.402 77 C N -0.119 119.313 119.300 0.219 0.000 2.971 77 C HA 0.985 5.444 4.460 -0.000 0.000 0.310 77 C C -1.027 174.161 174.990 0.329 0.000 1.285 77 C CA -0.926 58.235 59.018 0.238 0.000 1.593 77 C CB 1.484 29.307 27.740 0.140 0.000 2.076 77 C HN 1.123 nan 8.230 nan 0.000 0.472 78 W N 1.152 122.530 121.300 0.130 0.000 3.274 78 W HA 0.643 5.303 4.660 -0.000 0.000 0.327 78 W C -1.036 175.597 176.519 0.191 0.000 1.172 78 W CA 0.017 57.485 57.345 0.206 0.000 1.217 78 W CB 2.166 31.823 29.460 0.328 0.000 1.376 78 W HN 1.317 nan 8.180 nan 0.000 0.507 79 A N 2.503 125.284 122.820 -0.064 0.000 2.593 79 A HA 0.656 4.976 4.320 -0.000 0.000 0.290 79 A C -0.774 176.783 177.584 -0.045 0.000 1.126 79 A CA -0.410 51.680 52.037 0.087 0.000 0.695 79 A CB 1.814 20.846 19.000 0.054 0.000 1.290 79 A HN 0.461 nan 8.150 nan 0.000 0.414 80 T N -0.280 114.331 114.554 0.094 0.000 2.833 80 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 80 T C 0.573 175.287 174.700 0.024 0.000 1.031 80 T CA 0.014 62.167 62.100 0.090 0.000 0.937 80 T CB -0.064 68.888 68.868 0.140 0.000 1.256 80 T HN 1.112 nan 8.240 nan 0.000 0.551 81 L N -0.274 120.969 121.223 0.033 0.000 2.476 81 L HA 0.636 4.975 4.340 -0.000 0.000 0.255 81 L C 1.317 178.194 176.870 0.011 0.000 1.218 81 L CA -0.129 54.723 54.840 0.019 0.000 0.819 81 L CB -0.780 41.293 42.059 0.024 0.000 1.119 81 L HN 0.915 nan 8.230 nan 0.000 0.485 82 G N 1.314 110.113 108.800 -0.001 0.000 2.602 82 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.310 82 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.310 82 G C -1.037 173.849 174.900 -0.023 0.000 1.183 82 G CA 0.385 45.472 45.100 -0.021 0.000 0.979 82 G HN 0.798 nan 8.290 nan 0.000 0.545 83 P HA 0.112 nan 4.420 nan 0.000 0.223 83 P C 1.533 178.820 177.300 -0.021 0.000 1.151 83 P CA 1.800 64.886 63.100 -0.022 0.000 0.787 83 P CB -0.565 31.124 31.700 -0.020 0.000 0.788 87 N N 1.795 120.487 118.700 -0.013 0.000 2.120 87 N HA 0.170 4.910 4.740 -0.000 0.000 0.188 87 N C 1.816 177.359 175.510 0.054 0.000 1.024 87 N CA 1.300 54.350 53.050 0.000 0.000 0.852 87 N CB -0.487 37.891 38.487 -0.181 0.000 1.003 87 N HN 0.373 nan 8.380 nan 0.000 0.424 88 L N 1.117 122.353 121.223 0.022 0.000 2.127 88 L HA -0.170 4.169 4.340 -0.000 0.000 0.211 88 L C 2.046 178.954 176.870 0.063 0.000 1.089 88 L CA 1.390 56.263 54.840 0.055 0.000 0.757 88 L CB -0.509 41.572 42.059 0.038 0.000 0.899 88 L HN 0.290 nan 8.230 nan 0.000 0.434 89 S N -2.141 113.568 115.700 0.014 0.000 2.442 89 S HA -0.165 4.304 4.470 -0.000 0.000 0.236 89 S C 1.689 176.321 174.600 0.052 0.000 1.007 89 S CA 1.543 59.734 58.200 -0.015 0.000 0.965 89 S CB -0.525 62.633 63.200 -0.071 0.000 0.773 89 S HN 0.422 nan 8.310 nan 0.000 0.504 90 T N 1.453 116.084 114.554 0.129 0.000 2.904 90 T HA 0.126 4.476 4.350 -0.000 0.000 0.267 90 T C 1.995 176.895 174.700 0.333 0.000 1.059 90 T CA 1.098 63.315 62.100 0.194 0.000 1.137 90 T CB -0.888 68.063 68.868 0.138 0.000 0.879 90 T HN 0.627 nan 8.240 nan 0.000 0.467 91 G N 1.418 110.421 108.800 0.337 0.000 2.422 91 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 91 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 91 G C 1.487 176.440 174.900 0.088 0.000 1.146 91 G CA 0.370 45.569 45.100 0.165 0.000 0.769 91 G HN 0.486 nan 8.290 nan 0.000 0.547 92 I N 1.224 121.836 120.570 0.069 0.000 2.315 92 I HA -0.099 4.071 4.170 -0.000 0.000 0.248 92 I C 3.219 179.357 176.117 0.034 0.000 1.117 92 I CA 0.828 62.149 61.300 0.035 0.000 1.404 92 I CB -0.123 37.872 38.000 -0.009 0.000 1.071 92 I HN 0.232 nan 8.210 nan 0.000 0.419 93 A N 0.281 123.129 122.820 0.048 0.000 1.930 93 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 93 A C 2.371 179.987 177.584 0.053 0.000 1.175 93 A CA 2.183 54.243 52.037 0.038 0.000 0.627 93 A CB -0.961 18.061 19.000 0.037 0.000 0.815 93 A HN 0.343 nan 8.150 nan 0.000 0.443 94 T N -0.488 114.125 114.554 0.098 0.000 2.684 94 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 94 T C 2.302 177.029 174.700 0.044 0.000 1.036 94 T CA 1.902 64.060 62.100 0.097 0.000 1.148 94 T CB -0.301 68.668 68.868 0.169 0.000 0.863 94 T HN 0.590 nan 8.240 nan 0.000 0.436 95 S N 0.121 115.841 115.700 0.033 0.000 2.383 95 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 95 S C 2.152 176.756 174.600 0.007 0.000 1.026 95 S CA 1.012 59.219 58.200 0.010 0.000 0.981 95 S CB -0.464 62.741 63.200 0.008 0.000 0.818 95 S HN 0.269 nan 8.310 nan 0.000 0.472 96 V N 1.025 120.946 119.914 0.012 0.000 2.379 96 V HA 0.073 4.193 4.120 -0.000 0.000 0.245 96 V C 2.157 178.249 176.094 -0.002 0.000 1.044 96 V CA 1.673 63.978 62.300 0.007 0.000 1.036 96 V CB -0.273 31.554 31.823 0.008 0.000 0.664 96 V HN 0.559 nan 8.190 nan 0.000 0.453 97 L N -0.586 120.633 121.223 -0.007 0.000 2.209 97 L HA 0.019 4.358 4.340 -0.000 0.000 0.207 97 L C 2.002 178.851 176.870 -0.035 0.000 1.094 97 L CA 1.138 55.965 54.840 -0.022 0.000 0.790 97 L CB -0.378 41.665 42.059 -0.027 0.000 0.932 97 L HN 0.295 nan 8.230 nan 0.000 0.447 98 D N -0.150 120.232 120.400 -0.029 0.000 2.333 98 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 98 D C -0.132 176.149 176.300 -0.032 0.000 0.984 98 D CA 0.217 54.193 54.000 -0.040 0.000 0.873 98 D CB 0.259 41.037 40.800 -0.037 0.000 0.935 98 D HN -0.041 nan 8.370 nan 0.000 0.521 99 R N 0.234 120.721 120.500 -0.023 0.000 2.598 99 R HA -0.088 4.252 4.340 -0.000 0.000 0.323 99 R C -0.711 175.574 176.300 -0.025 0.000 0.993 99 R CA 0.136 56.226 56.100 -0.017 0.000 0.724 99 R CB -3.069 27.224 30.300 -0.013 0.000 2.060 99 R HN 0.331 nan 8.270 nan 0.000 0.470 100 S N 0.111 115.797 115.700 -0.024 0.000 2.541 100 S HA 0.783 5.252 4.470 -0.000 0.000 0.271 100 S C -2.893 171.694 174.600 -0.021 0.000 1.133 100 S CA -1.575 56.604 58.200 -0.035 0.000 0.876 100 S CB 3.702 66.867 63.200 -0.059 0.000 1.105 100 S HN 0.138 nan 8.310 nan 0.000 0.470 101 P HA 0.376 nan 4.420 nan 0.000 0.266 101 P C -0.931 176.365 177.300 -0.007 0.000 1.586 101 P CA -0.299 62.792 63.100 -0.015 0.000 1.088 101 P CB 0.549 32.234 31.700 -0.025 0.000 1.584 102 V N 5.557 125.477 119.914 0.009 0.000 2.555 102 V HA 0.346 4.465 4.120 -0.000 0.000 0.302 102 V C 0.347 176.475 176.094 0.056 0.000 1.038 102 V CA -0.788 61.528 62.300 0.027 0.000 0.887 102 V CB 2.283 34.117 31.823 0.018 0.000 0.991 102 V HN 0.300 nan 8.190 nan 0.000 0.434 103 I N 4.148 124.763 120.570 0.074 0.000 2.297 103 I HA 0.520 4.690 4.170 -0.000 0.000 0.291 103 I C 0.566 176.760 176.117 0.128 0.000 1.033 103 I CA -0.417 60.941 61.300 0.096 0.000 1.253 103 I CB 0.919 38.973 38.000 0.090 0.000 1.396 103 I HN 0.668 nan 8.210 nan 0.000 0.476 104 A N 8.303 131.215 122.820 0.154 0.000 2.274 104 A HA 0.799 5.118 4.320 -0.000 0.000 0.309 104 A C -0.380 177.281 177.584 0.127 0.000 1.226 104 A CA -0.420 51.730 52.037 0.189 0.000 0.853 104 A CB 0.562 19.718 19.000 0.259 0.000 1.146 104 A HN 0.690 nan 8.150 nan 0.000 0.518 105 L N 2.011 123.247 121.223 0.021 0.000 2.362 105 L HA 0.797 5.136 4.340 -0.000 0.000 0.275 105 L C 0.149 176.735 176.870 -0.472 0.000 0.998 105 L CA -0.414 54.266 54.840 -0.268 0.000 0.820 105 L CB 2.111 44.050 42.059 -0.200 0.000 1.270 105 L HN 0.778 nan 8.230 nan 0.000 0.415 106 A N 2.011 124.524 122.820 -0.511 0.000 2.486 106 A HA 0.885 5.205 4.320 -0.000 0.000 0.300 106 A C -0.373 176.973 177.584 -0.397 0.000 1.048 106 A CA -0.429 51.363 52.037 -0.408 0.000 0.696 106 A CB 1.601 20.643 19.000 0.069 0.000 1.278 106 A HN 0.780 nan 8.150 nan 0.000 0.405 107 A N 0.798 123.420 122.820 -0.329 0.000 2.386 107 A HA 0.581 4.901 4.320 -0.000 0.000 0.246 107 A C 0.178 177.724 177.584 -0.064 0.000 1.089 107 A CA 0.382 52.339 52.037 -0.133 0.000 0.790 107 A CB 0.407 19.416 19.000 0.016 0.000 1.042 107 A HN 1.213 nan 8.150 nan 0.000 0.497 108 Q N -0.378 119.397 119.800 -0.041 0.000 2.456 108 Q HA 0.510 4.850 4.340 -0.000 0.000 0.284 108 Q C -0.566 175.418 176.000 -0.027 0.000 1.061 108 Q CA -0.307 55.479 55.803 -0.029 0.000 0.799 108 Q CB 1.677 30.387 28.738 -0.047 0.000 1.445 108 Q HN 0.754 nan 8.270 nan 0.000 0.411 109 S N 1.786 117.468 115.700 -0.031 0.000 2.558 109 S HA 0.035 4.505 4.470 -0.000 0.000 0.287 109 S C -0.532 174.007 174.600 -0.100 0.000 1.321 109 S CA -0.055 58.115 58.200 -0.049 0.000 1.048 109 S CB 0.024 63.192 63.200 -0.054 0.000 0.844 109 S HN 0.561 nan 8.310 nan 0.000 0.512 110 E N 1.728 121.849 120.200 -0.132 0.000 2.653 110 E HA -0.054 4.296 4.350 -0.000 0.000 0.264 110 E C 1.350 177.765 176.600 -0.307 0.000 0.949 110 E CA 0.598 56.870 56.400 -0.215 0.000 0.953 110 E CB 0.262 29.766 29.700 -0.326 0.000 0.925 110 E HN 0.650 nan 8.360 nan 0.000 0.475 111 S N 2.820 118.406 115.700 -0.190 0.000 2.370 111 S HA -0.304 4.166 4.470 -0.000 0.000 0.226 111 S C 1.635 176.135 174.600 -0.165 0.000 1.033 111 S CA 1.776 59.895 58.200 -0.135 0.000 1.011 111 S CB -0.696 62.484 63.200 -0.034 0.000 0.852 111 S HN 0.795 nan 8.310 nan 0.000 0.457 112 H N -0.116 118.913 119.070 -0.068 0.000 2.559 112 H HA 0.359 4.915 4.556 -0.000 0.000 0.273 112 H C 0.847 176.119 175.328 -0.094 0.000 1.000 112 H CA 1.071 57.081 56.048 -0.063 0.000 1.195 112 H CB -0.361 29.400 29.762 -0.002 0.000 1.368 112 H HN 0.446 nan 8.280 nan 0.000 0.592 113 D N 0.174 120.331 120.400 -0.406 0.000 2.599 113 D HA 0.168 4.807 4.640 -0.000 0.000 0.249 113 D C -0.484 175.611 176.300 -0.342 0.000 1.313 113 D CA -0.318 53.536 54.000 -0.243 0.000 0.815 113 D CB -0.010 40.662 40.800 -0.213 0.000 1.077 113 D HN 0.376 nan 8.370 nan 0.000 0.492 114 I N 1.591 121.831 120.570 -0.549 0.000 2.329 114 I HA 0.168 4.338 4.170 -0.000 0.000 0.295 114 I C -0.609 175.091 176.117 -0.696 0.000 1.109 114 I CA -0.044 60.998 61.300 -0.431 0.000 1.297 114 I CB 0.004 37.829 38.000 -0.291 0.000 1.433 114 I HN -0.089 nan 8.210 nan 0.000 0.509 115 F N 7.271 127.216 119.950 -0.008 0.000 2.676 115 F HA 0.393 4.920 4.527 -0.000 0.000 0.371 115 F C -2.287 173.511 175.800 -0.002 0.000 1.141 115 F CA -2.796 55.203 58.000 -0.001 0.000 1.133 115 F CB 0.766 39.769 39.000 0.005 0.000 1.376 115 F HN 0.238 nan 8.300 nan 0.000 0.491 116 P HA 0.071 nan 4.420 nan 0.000 0.264 116 P C 0.093 177.435 177.300 0.069 0.000 1.193 116 P CA 0.633 63.767 63.100 0.058 0.000 0.763 116 P CB 0.423 32.140 31.700 0.028 0.000 0.810 117 N N 1.014 119.740 118.700 0.044 0.000 2.828 117 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 117 N C 0.162 175.699 175.510 0.044 0.000 1.044 117 N CA 1.319 54.388 53.050 0.032 0.000 0.851 117 N CB -1.472 37.028 38.487 0.022 0.000 1.136 117 N HN 0.523 nan 8.380 nan 0.000 0.572 118 D N -1.105 119.342 120.400 0.078 0.000 2.680 118 D HA 0.073 4.713 4.640 -0.000 0.000 0.295 118 D C 0.135 176.495 176.300 0.101 0.000 1.097 118 D CA 0.586 54.631 54.000 0.075 0.000 0.952 118 D CB -0.018 40.822 40.800 0.067 0.000 1.491 118 D HN 0.020 nan 8.370 nan 0.000 0.486 119 T N 1.091 115.742 114.554 0.161 0.000 2.916 119 T HA -0.001 4.349 4.350 -0.000 0.000 0.303 119 T C 0.185 174.967 174.700 0.137 0.000 1.025 119 T CA 0.111 62.312 62.100 0.169 0.000 1.142 119 T CB 0.357 69.340 68.868 0.193 0.000 0.947 119 T HN 0.097 nan 8.240 nan 0.000 0.544 120 H N 3.184 122.283 119.070 0.048 0.000 3.192 120 H HA -0.045 4.511 4.556 -0.000 0.000 0.295 120 H C 1.047 176.393 175.328 0.029 0.000 0.943 120 H CA 1.088 57.157 56.048 0.034 0.000 1.416 120 H CB -0.071 29.709 29.762 0.030 0.000 1.434 120 H HN 0.779 nan 8.280 nan 0.000 0.565 121 Q N 1.417 121.045 119.800 -0.287 0.000 2.460 121 Q HA -0.265 4.074 4.340 -0.000 0.000 0.248 121 Q C -0.514 175.458 176.000 -0.047 0.000 0.847 121 Q CA 0.936 56.628 55.803 -0.185 0.000 1.214 121 Q CB -1.875 26.784 28.738 -0.131 0.000 1.523 121 Q HN 0.591 nan 8.270 nan 0.000 0.602 122 C N 1.407 120.698 119.300 -0.015 0.000 2.239 122 C HA 0.661 5.121 4.460 -0.000 0.000 0.325 122 C C 0.249 175.239 174.990 -0.000 0.000 1.231 122 C CA -0.471 58.551 59.018 0.006 0.000 1.652 122 C CB -0.353 27.407 27.740 0.033 0.000 2.284 122 C HN 0.346 nan 8.230 nan 0.000 0.499 123 L N 4.289 125.508 121.223 -0.007 0.000 2.319 123 L HA 0.450 4.789 4.340 -0.000 0.000 0.267 123 L C 0.119 176.986 176.870 -0.005 0.000 1.011 123 L CA -0.517 54.317 54.840 -0.009 0.000 0.818 123 L CB 1.213 43.259 42.059 -0.021 0.000 1.316 123 L HN 0.491 nan 8.230 nan 0.000 0.432 124 D N 0.409 120.804 120.400 -0.009 0.000 2.545 124 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 124 D C 0.898 177.192 176.300 -0.009 0.000 1.150 124 D CA 0.198 54.193 54.000 -0.007 0.000 1.046 124 D CB 0.688 41.482 40.800 -0.010 0.000 1.098 124 D HN 0.442 nan 8.370 nan 0.000 0.502 125 S N 0.875 116.588 115.700 0.021 0.000 2.370 125 S HA -0.144 4.325 4.470 -0.000 0.000 0.226 125 S C 2.191 176.801 174.600 0.017 0.000 1.033 125 S CA 0.679 58.893 58.200 0.024 0.000 1.011 125 S CB 0.071 63.396 63.200 0.208 0.000 0.852 125 S HN 0.425 nan 8.310 nan 0.000 0.457 126 V N 1.974 121.968 119.914 0.134 0.000 2.343 126 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 126 V C 2.644 178.737 176.094 -0.002 0.000 1.051 126 V CA 1.697 64.070 62.300 0.121 0.000 1.036 126 V CB -1.213 30.656 31.823 0.077 0.000 0.654 126 V HN 0.557 nan 8.190 nan 0.000 0.451 127 A N -0.314 122.494 122.820 -0.019 0.000 1.930 127 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 127 A C 2.165 179.713 177.584 -0.061 0.000 1.175 127 A CA 1.716 53.731 52.037 -0.036 0.000 0.627 127 A CB -0.471 18.513 19.000 -0.026 0.000 0.815 127 A HN 0.515 nan 8.150 nan 0.000 0.443 128 I N -0.814 119.704 120.570 -0.086 0.000 2.286 128 I HA -0.148 4.021 4.170 -0.000 0.000 0.245 128 I C 2.051 178.077 176.117 -0.152 0.000 1.104 128 I CA 0.940 62.173 61.300 -0.111 0.000 1.397 128 I CB -0.026 37.900 38.000 -0.122 0.000 1.072 128 I HN 0.131 nan 8.210 nan 0.000 0.417 129 V N 0.515 120.287 119.914 -0.237 0.000 3.235 129 V HA 0.019 4.139 4.120 -0.000 0.000 0.259 129 V C 2.473 178.477 176.094 -0.150 0.000 1.133 129 V CA 1.157 63.280 62.300 -0.295 0.000 1.128 129 V CB -0.245 31.150 31.823 -0.713 0.000 0.757 129 V HN 0.399 nan 8.190 nan 0.000 0.469 130 A N 0.579 123.343 122.820 -0.092 0.000 1.933 130 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 130 A C -0.405 177.158 177.584 -0.034 0.000 1.175 130 A CA 1.016 53.026 52.037 -0.044 0.000 0.628 130 A CB -1.423 17.555 19.000 -0.037 0.000 0.814 130 A HN 0.524 nan 8.150 nan 0.000 0.444 134 K N -0.297 120.159 120.400 0.093 0.000 2.305 134 K HA 0.243 4.563 4.320 -0.000 0.000 0.199 134 K C -0.223 176.490 176.600 0.188 0.000 1.047 134 K CA 1.055 57.407 56.287 0.108 0.000 0.976 134 K CB -0.327 32.227 32.500 0.090 0.000 0.765 134 K HN 0.707 nan 8.250 nan 0.000 0.474 135 Y N -0.869 119.454 120.300 0.039 0.000 2.521 135 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 135 Y C -2.080 173.874 175.900 0.089 0.000 1.151 135 Y CA -1.106 57.021 58.100 0.045 0.000 1.054 135 Y CB 1.579 40.056 38.460 0.028 0.000 1.338 135 Y HN -0.058 nan 8.280 nan 0.000 0.453 136 A N 4.766 127.371 122.820 -0.359 0.000 2.456 136 A HA 0.748 5.068 4.320 -0.000 0.000 0.288 136 A C -2.257 175.140 177.584 -0.312 0.000 1.042 136 A CA -0.368 51.596 52.037 -0.123 0.000 0.738 136 A CB 1.338 20.388 19.000 0.082 0.000 1.266 136 A HN 1.236 nan 8.150 nan 0.000 0.407 137 V N 1.500 121.259 119.914 -0.258 0.000 3.120 137 V HA 0.660 4.780 4.120 -0.000 0.000 0.303 137 V C -1.095 174.888 176.094 -0.186 0.000 1.238 137 V CA -0.486 61.664 62.300 -0.250 0.000 1.008 137 V CB 2.074 33.699 31.823 -0.330 0.000 1.064 137 V HN 1.024 nan 8.190 nan 0.000 0.434 138 E N 3.426 123.546 120.200 -0.132 0.000 2.166 138 E HA 0.455 4.805 4.350 -0.000 0.000 0.275 138 E C -1.127 175.411 176.600 -0.103 0.000 0.941 138 E CA -0.855 55.470 56.400 -0.125 0.000 0.784 138 E CB 1.789 31.440 29.700 -0.083 0.000 1.115 138 E HN 0.652 nan 8.360 nan 0.000 0.399 139 L N 4.181 125.340 121.223 -0.107 0.000 2.490 139 L HA -0.012 4.327 4.340 -0.000 0.000 0.274 139 L C 0.392 177.224 176.870 -0.063 0.000 1.201 139 L CA 1.223 56.017 54.840 -0.077 0.000 0.869 139 L CB 0.635 42.652 42.059 -0.071 0.000 1.123 139 L HN 0.773 nan 8.230 nan 0.000 0.484 140 Q N 3.445 123.212 119.800 -0.054 0.000 2.471 140 Q HA 0.307 4.647 4.340 -0.000 0.000 0.259 140 Q C -0.198 175.785 176.000 -0.028 0.000 0.850 140 Q CA 0.031 55.810 55.803 -0.040 0.000 0.981 140 Q CB 0.871 29.586 28.738 -0.039 0.000 1.180 140 Q HN 0.570 nan 8.270 nan 0.000 0.571 141 R N 0.798 121.271 120.500 -0.045 0.000 2.451 141 R HA 0.246 4.586 4.340 -0.000 0.000 0.307 141 R C -2.223 174.047 176.300 -0.050 0.000 0.965 141 R CA -1.824 54.259 56.100 -0.029 0.000 0.865 141 R CB 1.504 31.785 30.300 -0.033 0.000 1.174 141 R HN -0.107 nan 8.270 nan 0.000 0.455 142 P HA -0.292 nan 4.420 nan 0.000 0.217 142 P C 0.975 178.289 177.300 0.023 0.000 1.158 142 P CA 1.497 64.611 63.100 0.023 0.000 0.887 142 P CB -0.012 31.723 31.700 0.058 0.000 0.792 143 H N -0.295 118.782 119.070 0.012 0.000 2.521 143 H HA 0.031 4.587 4.556 -0.000 0.000 0.286 143 H C 1.140 176.475 175.328 0.012 0.000 1.034 143 H CA 0.967 57.022 56.048 0.012 0.000 1.278 143 H CB -0.587 29.182 29.762 0.011 0.000 1.386 143 H HN 0.233 nan 8.280 nan 0.000 0.567 144 E N 0.367 120.263 120.200 -0.507 0.000 2.478 144 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 144 E C 1.835 178.361 176.600 -0.123 0.000 1.046 144 E CA 0.235 56.426 56.400 -0.347 0.000 0.870 144 E CB -0.014 29.496 29.700 -0.317 0.000 0.818 144 E HN 0.314 nan 8.360 nan 0.000 0.527 145 I N 1.181 121.708 120.570 -0.072 0.000 2.315 145 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 145 I C 1.949 178.063 176.117 -0.005 0.000 1.125 145 I CA 1.583 62.869 61.300 -0.022 0.000 1.392 145 I CB -0.298 37.701 38.000 -0.001 0.000 1.065 145 I HN -0.018 nan 8.210 nan 0.000 0.424 146 T N 0.628 115.178 114.554 -0.007 0.000 2.674 146 T HA -0.195 4.155 4.350 -0.000 0.000 0.265 146 T C 1.421 176.126 174.700 0.008 0.000 1.039 146 T CA 1.833 63.934 62.100 0.001 0.000 1.150 146 T CB -0.506 68.367 68.868 0.009 0.000 0.864 146 T HN 0.701 nan 8.240 nan 0.000 0.427 147 D N 0.941 121.342 120.400 0.001 0.000 2.269 147 D HA -0.020 4.619 4.640 -0.000 0.000 0.208 147 D C 1.954 178.259 176.300 0.008 0.000 0.963 147 D CA 0.622 54.626 54.000 0.007 0.000 0.864 147 D CB -0.620 40.182 40.800 0.004 0.000 0.936 147 D HN 0.344 nan 8.370 nan 0.000 0.505 148 L N 0.138 121.373 121.223 0.018 0.000 2.109 148 L HA -0.059 4.280 4.340 -0.000 0.000 0.207 148 L C 2.482 179.361 176.870 0.015 0.000 1.086 148 L CA 0.466 55.342 54.840 0.061 0.000 0.760 148 L CB -0.301 41.805 42.059 0.078 0.000 0.910 148 L HN 0.044 nan 8.230 nan 0.000 0.437 149 V N -0.052 119.879 119.914 0.027 0.000 2.343 149 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 149 V C 2.106 178.223 176.094 0.039 0.000 1.051 149 V CA 1.829 64.158 62.300 0.048 0.000 1.036 149 V CB -0.493 31.387 31.823 0.093 0.000 0.654 149 V HN 0.422 nan 8.190 nan 0.000 0.451 150 D N 0.016 120.457 120.400 0.068 0.000 2.097 150 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 150 D C 2.444 178.672 176.300 -0.119 0.000 0.989 150 D CA 1.730 55.778 54.000 0.080 0.000 0.827 150 D CB -0.309 40.542 40.800 0.084 0.000 0.966 150 D HN 0.356 nan 8.370 nan 0.000 0.456 151 S N 0.232 115.806 115.700 -0.210 0.000 2.402 151 S HA -0.065 4.405 4.470 -0.000 0.000 0.229 151 S C 2.022 176.144 174.600 -0.796 0.000 1.021 151 S CA 0.873 58.825 58.200 -0.414 0.000 0.974 151 S CB -0.080 62.905 63.200 -0.358 0.000 0.800 151 S HN 0.352 nan 8.310 nan 0.000 0.484 152 A N 1.092 123.452 122.820 -0.767 0.000 1.873 152 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 152 A C 2.305 179.711 177.584 -0.297 0.000 1.186 152 A CA 1.358 53.041 52.037 -0.590 0.000 0.616 152 A CB -0.857 18.035 19.000 -0.180 0.000 0.823 152 A HN 0.338 nan 8.150 nan 0.000 0.442 153 V N 1.049 120.809 119.914 -0.257 0.000 2.343 153 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 153 V C 2.319 178.277 176.094 -0.227 0.000 1.051 153 V CA 2.104 64.243 62.300 -0.268 0.000 1.036 153 V CB -1.018 30.496 31.823 -0.516 0.000 0.654 153 V HN 0.540 nan 8.190 nan 0.000 0.451 154 N N 0.772 119.337 118.700 -0.226 0.000 2.069 154 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 154 N C 1.859 177.295 175.510 -0.123 0.000 1.031 154 N CA 1.896 54.852 53.050 -0.157 0.000 0.852 154 N CB -0.556 37.847 38.487 -0.139 0.000 1.018 154 N HN 0.504 nan 8.380 nan 0.000 0.423 155 A N 0.835 123.565 122.820 -0.149 0.000 1.929 155 A HA 0.292 4.612 4.320 -0.000 0.000 0.216 155 A C 1.422 178.986 177.584 -0.033 0.000 1.176 155 A CA 0.977 52.976 52.037 -0.063 0.000 0.628 155 A CB -0.732 18.262 19.000 -0.010 0.000 0.816 155 A HN 0.372 nan 8.150 nan 0.000 0.444 159 E N 3.422 123.613 120.200 -0.015 0.000 2.392 159 E HA 0.218 4.568 4.350 -0.000 0.000 0.264 159 E C -2.155 174.441 176.600 -0.008 0.000 1.024 159 E CA -1.593 54.800 56.400 -0.012 0.000 0.903 159 E CB 0.461 30.150 29.700 -0.018 0.000 0.963 159 E HN 0.288 nan 8.360 nan 0.000 0.432 160 P HA 0.011 nan 4.420 nan 0.000 0.276 160 P C 0.083 177.383 177.300 -0.001 0.000 1.243 160 P CA -0.282 62.816 63.100 -0.002 0.000 0.768 160 P CB 0.493 32.193 31.700 0.000 0.000 0.856 161 V N 1.606 121.518 119.914 -0.003 0.000 2.999 161 V HA 0.722 4.842 4.120 -0.000 0.000 0.307 161 V C 0.571 176.664 176.094 -0.001 0.000 1.084 161 V CA 0.452 62.749 62.300 -0.004 0.000 1.155 161 V CB 0.003 31.822 31.823 -0.007 0.000 0.975 161 V HN 0.893 nan 8.190 nan 0.000 0.490 162 G N 2.764 111.566 108.800 0.003 0.000 2.430 162 G HA2 0.609 4.569 3.960 -0.000 0.000 0.300 162 G HA3 0.609 4.569 3.960 -0.000 0.000 0.300 162 G C -3.513 171.402 174.900 0.025 0.000 1.330 162 G CA -0.586 44.522 45.100 0.013 0.000 0.813 162 G HN 0.746 nan 8.290 nan 0.000 0.487 163 P HA 0.506 nan 4.420 nan 0.000 0.282 163 P C -0.663 176.702 177.300 0.108 0.000 1.249 163 P CA -0.230 62.909 63.100 0.065 0.000 0.806 163 P CB 1.877 33.614 31.700 0.063 0.000 0.984 164 S N 1.535 117.320 115.700 0.142 0.000 2.536 164 S HA 0.637 5.107 4.470 -0.000 0.000 0.298 164 S C -1.021 173.750 174.600 0.285 0.000 1.083 164 S CA -0.324 58.018 58.200 0.236 0.000 0.995 164 S CB 0.711 64.027 63.200 0.194 0.000 1.058 164 S HN 0.443 nan 8.310 nan 0.000 0.488 165 F N 2.960 122.991 119.950 0.135 0.000 2.507 165 F HA 0.708 5.235 4.527 -0.000 0.000 0.325 165 F C -1.353 174.479 175.800 0.054 0.000 1.116 165 F CA -1.059 56.972 58.000 0.053 0.000 0.930 165 F CB 0.679 39.677 39.000 -0.003 0.000 1.146 165 F HN 0.438 nan 8.300 nan 0.000 0.447 166 I N 4.746 124.877 120.570 -0.731 0.000 2.447 166 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 166 I C -0.468 174.990 176.117 -1.098 0.000 1.023 166 I CA -0.800 60.087 61.300 -0.690 0.000 1.083 166 I CB 1.914 39.757 38.000 -0.261 0.000 1.245 166 I HN 0.543 nan 8.210 nan 0.000 0.434 167 S N 7.018 122.169 115.700 -0.915 0.000 2.525 167 S HA 0.664 5.133 4.470 -0.000 0.000 0.278 167 S C -0.597 173.825 174.600 -0.298 0.000 1.234 167 S CA -0.420 57.451 58.200 -0.549 0.000 1.058 167 S CB 0.449 63.515 63.200 -0.224 0.000 0.983 167 S HN 0.481 nan 8.310 nan 0.000 0.495 168 L N 6.366 127.449 121.223 -0.233 0.000 2.454 168 L HA 0.389 4.728 4.340 -0.000 0.000 0.258 168 L C -2.497 174.324 176.870 -0.082 0.000 1.025 168 L CA -2.011 52.740 54.840 -0.148 0.000 0.901 168 L CB 1.739 43.702 42.059 -0.160 0.000 1.210 168 L HN 0.454 nan 8.230 nan 0.000 0.457 169 P HA -0.018 nan 4.420 nan 0.000 0.264 169 P C 1.172 178.463 177.300 -0.015 0.000 1.193 169 P CA 0.010 63.081 63.100 -0.048 0.000 0.763 169 P CB 1.089 32.755 31.700 -0.057 0.000 0.810 170 V N 3.413 123.327 119.914 -0.001 0.000 2.392 170 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 170 V C 2.026 178.137 176.094 0.029 0.000 1.059 170 V CA 2.462 64.780 62.300 0.030 0.000 1.051 170 V CB -1.085 30.759 31.823 0.035 0.000 0.658 170 V HN 0.667 nan 8.190 nan 0.000 0.455 171 D N 0.322 120.735 120.400 0.022 0.000 2.117 171 D HA -0.193 4.446 4.640 -0.000 0.000 0.197 171 D C 1.999 178.320 176.300 0.036 0.000 0.987 171 D CA 1.444 55.468 54.000 0.041 0.000 0.829 171 D CB -0.473 40.372 40.800 0.075 0.000 0.961 171 D HN 0.444 nan 8.370 nan 0.000 0.460 172 L N -0.507 120.730 121.223 0.024 0.000 2.156 172 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 172 L C 2.607 179.491 176.870 0.023 0.000 1.095 172 L CA 0.203 55.056 54.840 0.021 0.000 0.770 172 L CB -0.360 41.702 42.059 0.005 0.000 0.914 172 L HN 0.043 nan 8.230 nan 0.000 0.439 173 L N 0.497 121.737 121.223 0.027 0.000 2.131 173 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 173 L C 2.042 178.930 176.870 0.030 0.000 1.092 173 L CA 1.851 56.716 54.840 0.042 0.000 0.759 173 L CB -0.817 41.287 42.059 0.075 0.000 0.903 173 L HN 0.133 nan 8.230 nan 0.000 0.435 174 G N -1.782 107.033 108.800 0.025 0.000 3.233 174 G HA2 0.063 4.022 3.960 -0.000 0.000 0.227 174 G HA3 0.063 4.022 3.960 -0.000 0.000 0.227 174 G C 0.431 175.341 174.900 0.016 0.000 1.175 174 G CA 0.484 45.592 45.100 0.014 0.000 0.781 174 G HN 0.353 nan 8.290 nan 0.000 0.542 175 S N -0.089 115.625 115.700 0.024 0.000 2.525 175 S HA 0.435 4.905 4.470 -0.000 0.000 0.290 175 S C 1.369 175.987 174.600 0.030 0.000 1.152 175 S CA 0.171 58.387 58.200 0.027 0.000 1.072 175 S CB 1.512 64.732 63.200 0.033 0.000 1.027 175 S HN 0.283 nan 8.310 nan 0.000 0.500 176 S N 1.535 117.251 115.700 0.025 0.000 2.540 176 S HA 0.288 4.757 4.470 -0.000 0.000 0.218 176 S C 0.581 175.200 174.600 0.032 0.000 0.977 176 S CA 0.292 58.509 58.200 0.028 0.000 0.918 176 S CB -0.581 62.626 63.200 0.012 0.000 0.806 176 S HN 1.004 nan 8.310 nan 0.000 0.496 177 E N 1.224 121.446 120.200 0.036 0.000 2.498 177 E HA 0.422 4.771 4.350 -0.000 0.000 0.252 177 E C 1.197 177.831 176.600 0.058 0.000 1.025 177 E CA 0.085 56.508 56.400 0.038 0.000 0.938 177 E CB -1.424 28.300 29.700 0.040 0.000 0.947 177 E HN 1.465 nan 8.360 nan 0.000 0.478 178 G N 1.986 110.799 108.800 0.022 0.000 2.159 178 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 178 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 178 G C 0.426 175.312 174.900 -0.023 0.000 0.977 178 G CA 0.204 45.289 45.100 -0.025 0.000 0.652 178 G HN 0.840 nan 8.290 nan 0.000 0.531 179 I N 1.843 122.431 120.570 0.030 0.000 2.304 179 I HA 0.540 4.710 4.170 -0.000 0.000 0.291 179 I C 0.568 176.695 176.117 0.017 0.000 1.018 179 I CA 0.417 61.745 61.300 0.045 0.000 1.260 179 I CB 0.659 38.702 38.000 0.071 0.000 1.390 179 I HN 0.293 nan 8.210 nan 0.000 0.475 180 D N 3.788 124.192 120.400 0.007 0.000 2.350 180 D HA 0.742 5.381 4.640 -0.000 0.000 0.238 180 D C 0.405 176.715 176.300 0.016 0.000 0.989 180 D CA -0.014 53.986 54.000 -0.000 0.000 0.921 180 D CB 1.544 42.331 40.800 -0.022 0.000 1.297 180 D HN 0.711 nan 8.370 nan 0.000 0.490 185 N N 3.242 121.937 118.700 -0.008 0.000 2.454 185 N HA 0.231 4.971 4.740 -0.000 0.000 0.254 185 N C -1.600 173.900 175.510 -0.017 0.000 1.228 185 N CA -0.381 52.659 53.050 -0.017 0.000 0.900 185 N CB 0.312 38.775 38.487 -0.041 0.000 1.089 185 N HN 0.365 nan 8.380 nan 0.000 0.449 186 P HA 0.249 nan 4.420 nan 0.000 0.273 186 P C -2.531 174.758 177.300 -0.018 0.000 1.250 186 P CA -0.900 62.195 63.100 -0.008 0.000 0.793 186 P CB -0.609 31.093 31.700 0.002 0.000 1.011 187 P HA 0.025 nan 4.420 nan 0.000 0.266 187 P C 0.624 177.919 177.300 -0.008 0.000 1.195 187 P CA 0.165 63.260 63.100 -0.008 0.000 0.768 187 P CB 0.181 31.885 31.700 0.007 0.000 0.838 188 A N 3.569 126.372 122.820 -0.028 0.000 1.902 188 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 188 A C 0.926 178.621 177.584 0.185 0.000 1.181 188 A CA 1.169 53.194 52.037 -0.020 0.000 0.623 188 A CB -1.073 17.837 19.000 -0.150 0.000 0.818 188 A HN 0.670 nan 8.150 nan 0.000 0.443 189 N N -0.188 118.578 118.700 0.111 0.000 2.721 189 N HA -0.121 4.619 4.740 -0.000 0.000 0.249 189 N C -0.485 175.075 175.510 0.082 0.000 1.072 189 N CA 1.324 54.425 53.050 0.084 0.000 0.710 189 N CB -2.161 36.359 38.487 0.055 0.000 0.993 189 N HN 0.514 nan 8.380 nan 0.000 0.547 190 T N 2.043 116.669 114.554 0.120 0.000 2.871 190 T HA 0.159 4.509 4.350 -0.000 0.000 0.296 190 T C -1.743 172.957 174.700 0.001 0.000 0.998 190 T CA -0.464 61.645 62.100 0.015 0.000 1.162 190 T CB 0.507 69.407 68.868 0.054 0.000 0.947 190 T HN 0.076 nan 8.240 nan 0.000 0.536 191 P HA 0.171 nan 4.420 nan 0.000 0.265 191 P C 0.544 177.841 177.300 -0.005 0.000 1.193 191 P CA -0.217 62.873 63.100 -0.016 0.000 0.765 191 P CB 0.419 32.101 31.700 -0.029 0.000 0.823 192 A N 3.896 126.718 122.820 0.004 0.000 1.933 192 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 192 A C 0.895 178.484 177.584 0.010 0.000 1.175 192 A CA 1.519 53.562 52.037 0.011 0.000 0.628 192 A CB -0.567 18.441 19.000 0.013 0.000 0.814 192 A HN 0.695 nan 8.150 nan 0.000 0.444 193 K N -1.923 118.479 120.400 0.004 0.000 2.469 193 K HA 0.590 4.910 4.320 -0.000 0.000 0.268 193 K C -3.377 173.220 176.600 -0.005 0.000 1.027 193 K CA -2.205 54.085 56.287 0.005 0.000 0.893 193 K CB 0.554 33.060 32.500 0.010 0.000 1.460 193 K HN -0.226 nan 8.250 nan 0.000 0.449 194 P HA 0.011 nan 4.420 nan 0.000 0.264 194 P C -0.585 176.703 177.300 -0.020 0.000 1.193 194 P CA -0.388 62.704 63.100 -0.014 0.000 0.763 194 P CB 0.523 32.219 31.700 -0.008 0.000 0.810 195 V N 3.298 123.198 119.914 -0.024 0.000 2.740 195 V HA 0.420 4.539 4.120 -0.000 0.000 0.303 195 V C 1.173 177.249 176.094 -0.031 0.000 1.054 195 V CA 0.884 63.168 62.300 -0.027 0.000 1.106 195 V CB 0.526 32.333 31.823 -0.026 0.000 0.957 195 V HN 0.836 nan 8.190 nan 0.000 0.486 196 G N 2.399 111.174 108.800 -0.041 0.000 2.818 196 G HA2 0.717 4.677 3.960 -0.000 0.000 0.286 196 G HA3 0.717 4.677 3.960 -0.000 0.000 0.286 196 G C -0.825 174.042 174.900 -0.054 0.000 1.364 196 G CA -0.334 44.736 45.100 -0.051 0.000 0.938 196 G HN 0.922 nan 8.290 nan 0.000 0.490 197 V N -2.266 117.613 119.914 -0.059 0.000 2.716 197 V HA 0.845 4.965 4.120 -0.000 0.000 0.304 197 V C -0.426 175.611 176.094 -0.094 0.000 1.053 197 V CA -0.944 61.322 62.300 -0.056 0.000 0.984 197 V CB 1.454 33.256 31.823 -0.035 0.000 1.021 197 V HN 0.577 nan 8.190 nan 0.000 0.467 198 V N 2.539 122.408 119.914 -0.075 0.000 2.567 198 V HA 0.718 4.838 4.120 -0.000 0.000 0.298 198 V C 0.438 176.540 176.094 0.013 0.000 1.047 198 V CA -0.183 62.051 62.300 -0.109 0.000 0.880 198 V CB 1.285 33.034 31.823 -0.124 0.000 1.009 198 V HN 1.388 nan 8.190 nan 0.000 0.429 199 A N 2.907 125.758 122.820 0.053 0.000 2.440 199 A HA 0.443 4.762 4.320 -0.000 0.000 0.251 199 A C 0.127 177.838 177.584 0.212 0.000 1.089 199 A CA -0.081 52.022 52.037 0.111 0.000 0.779 199 A CB 0.124 19.181 19.000 0.095 0.000 1.022 199 A HN 0.961 nan 8.150 nan 0.000 0.492 200 D N 1.387 121.867 120.400 0.133 0.000 2.493 200 D HA 0.361 5.000 4.640 -0.000 0.000 0.240 200 D C 1.321 177.671 176.300 0.083 0.000 1.142 200 D CA 1.968 56.032 54.000 0.108 0.000 0.872 200 D CB 0.192 41.026 40.800 0.057 0.000 1.173 200 D HN 1.215 nan 8.370 nan 0.000 0.467 201 G N 3.720 112.535 108.800 0.025 0.000 2.141 201 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 201 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 201 G C 0.982 175.874 174.900 -0.013 0.000 0.982 201 G CA 0.404 45.484 45.100 -0.033 0.000 0.662 201 G HN 0.694 nan 8.290 nan 0.000 0.527 202 W N 0.168 121.445 121.300 -0.038 0.000 2.425 202 W HA -0.013 4.647 4.660 -0.000 0.000 0.277 202 W C 1.440 177.922 176.519 -0.062 0.000 1.231 202 W CA 1.325 58.647 57.345 -0.040 0.000 1.248 202 W CB -0.635 28.803 29.460 -0.037 0.000 1.117 202 W HN 0.394 nan 8.180 nan 0.000 0.568 203 Q N 1.497 120.671 119.800 -1.043 0.000 2.050 203 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 203 Q C 2.350 178.122 176.000 -0.379 0.000 0.980 203 Q CA 2.509 57.600 55.803 -1.186 0.000 0.840 203 Q CB -0.526 27.451 28.738 -1.267 0.000 0.898 203 Q HN 0.303 nan 8.270 nan 0.000 0.424 204 K N 0.227 120.492 120.400 -0.225 0.000 2.057 204 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 204 K C 1.993 178.609 176.600 0.027 0.000 1.049 204 K CA 1.250 57.502 56.287 -0.058 0.000 0.931 204 K CB -0.211 32.259 32.500 -0.050 0.000 0.714 204 K HN 0.215 nan 8.250 nan 0.000 0.440 205 A N 0.987 123.833 122.820 0.044 0.000 1.902 205 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 205 A C 2.329 180.028 177.584 0.192 0.000 1.181 205 A CA 1.898 53.997 52.037 0.104 0.000 0.623 205 A CB -0.851 18.214 19.000 0.108 0.000 0.818 205 A HN 0.495 nan 8.150 nan 0.000 0.443 206 A N -0.010 122.980 122.820 0.282 0.000 1.933 206 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 206 A C 1.738 179.606 177.584 0.473 0.000 1.175 206 A CA 1.867 54.217 52.037 0.522 0.000 0.628 206 A CB -0.539 18.875 19.000 0.690 0.000 0.814 206 A HN 0.473 nan 8.150 nan 0.000 0.444 207 D N -0.391 120.188 120.400 0.298 0.000 2.144 207 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 207 D C 2.148 178.563 176.300 0.191 0.000 0.978 207 D CA 1.321 55.447 54.000 0.212 0.000 0.833 207 D CB -0.407 40.473 40.800 0.133 0.000 0.961 207 D HN 0.628 nan 8.370 nan 0.000 0.470 208 Q N 0.327 120.231 119.800 0.173 0.000 2.124 208 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 208 Q C 2.202 178.322 176.000 0.199 0.000 0.977 208 Q CA 1.307 57.199 55.803 0.148 0.000 0.850 208 Q CB -0.079 28.721 28.738 0.103 0.000 0.901 208 Q HN 0.216 nan 8.270 nan 0.000 0.429 209 A N 1.097 124.086 122.820 0.281 0.000 1.902 209 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 209 A C 2.296 180.184 177.584 0.506 0.000 1.181 209 A CA 1.526 53.778 52.037 0.357 0.000 0.623 209 A CB -0.742 18.487 19.000 0.382 0.000 0.818 209 A HN 0.396 nan 8.150 nan 0.000 0.443 210 A N -0.214 122.926 122.820 0.532 0.000 1.933 210 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 210 A C 2.439 180.209 177.584 0.310 0.000 1.175 210 A CA 2.004 54.189 52.037 0.247 0.000 0.628 210 A CB -0.841 18.108 19.000 -0.085 0.000 0.814 210 A HN 1.026 nan 8.150 nan 0.000 0.444 211 A N -0.440 122.522 122.820 0.237 0.000 1.968 211 A HA 0.106 4.425 4.320 -0.000 0.000 0.217 211 A C 2.107 179.774 177.584 0.137 0.000 1.169 211 A CA 1.175 53.315 52.037 0.172 0.000 0.638 211 A CB -0.470 18.600 19.000 0.116 0.000 0.812 211 A HN 0.460 nan 8.150 nan 0.000 0.446 212 L N -1.007 120.312 121.223 0.160 0.000 2.056 212 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 212 L C 2.517 179.474 176.870 0.144 0.000 1.078 212 L CA 1.079 55.996 54.840 0.129 0.000 0.749 212 L CB -0.530 41.605 42.059 0.127 0.000 0.901 212 L HN 0.458 nan 8.230 nan 0.000 0.433 213 L N 0.354 121.722 121.223 0.241 0.000 2.083 213 L HA -0.135 4.204 4.340 -0.000 0.000 0.209 213 L C 2.648 179.607 176.870 0.149 0.000 1.083 213 L CA 1.882 56.880 54.840 0.263 0.000 0.752 213 L CB -0.697 41.617 42.059 0.425 0.000 0.899 213 L HN 0.144 nan 8.230 nan 0.000 0.433 214 A N -0.644 122.225 122.820 0.081 0.000 1.917 214 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 214 A C 2.116 179.589 177.584 -0.185 0.000 1.182 214 A CA 1.959 53.815 52.037 -0.302 0.000 0.633 214 A CB -0.557 18.255 19.000 -0.313 0.000 0.819 214 A HN 0.586 nan 8.150 nan 0.000 0.448 215 E N -0.086 120.073 120.200 -0.069 0.000 2.299 215 E HA 0.172 4.522 4.350 -0.000 0.000 0.193 215 E C 0.931 177.506 176.600 -0.043 0.000 0.998 215 E CA 0.615 56.981 56.400 -0.055 0.000 0.851 215 E CB -0.396 29.291 29.700 -0.022 0.000 0.795 215 E HN 0.555 nan 8.360 nan 0.000 0.492 216 A N 1.702 124.513 122.820 -0.014 0.000 2.401 216 A HA 0.107 4.426 4.320 -0.000 0.000 0.259 216 A C 1.223 178.779 177.584 -0.048 0.000 1.103 216 A CA -0.152 51.880 52.037 -0.008 0.000 0.789 216 A CB 0.830 19.855 19.000 0.043 0.000 1.035 216 A HN -0.018 nan 8.150 nan 0.000 0.491 217 K N 0.270 120.604 120.400 -0.110 0.000 2.067 217 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 217 K C -0.310 176.110 176.600 -0.300 0.000 1.048 217 K CA 0.909 57.036 56.287 -0.268 0.000 0.954 217 K CB 0.009 32.261 32.500 -0.413 0.000 0.737 217 K HN 0.833 nan 8.250 nan 0.000 0.444 218 H N 0.702 119.800 119.070 0.046 0.000 2.448 218 H HA 0.306 4.862 4.556 -0.000 0.000 0.237 218 H C -2.583 172.772 175.328 0.045 0.000 1.391 218 H CA -2.587 53.501 56.048 0.065 0.000 1.477 218 H CB 1.139 30.921 29.762 0.034 0.000 1.520 218 H HN 0.234 nan 8.280 nan 0.000 0.502 219 P HA 0.204 nan 4.420 nan 0.000 0.279 219 P C -0.034 177.329 177.300 0.105 0.000 1.252 219 P CA -0.496 62.674 63.100 0.116 0.000 0.811 219 P CB 2.218 33.993 31.700 0.125 0.000 1.035 220 V N -1.079 118.874 119.914 0.065 0.000 3.007 220 V HA 0.585 4.705 4.120 -0.000 0.000 0.311 220 V C -0.729 175.370 176.094 0.009 0.000 1.120 220 V CA -1.180 61.142 62.300 0.037 0.000 0.980 220 V CB 1.848 33.720 31.823 0.082 0.000 1.033 220 V HN 0.263 nan 8.190 nan 0.000 0.429 221 L N 2.866 124.085 121.223 -0.007 0.000 2.287 221 L HA 0.638 4.978 4.340 -0.000 0.000 0.287 221 L C -0.640 176.231 176.870 0.002 0.000 1.022 221 L CA -0.733 54.102 54.840 -0.008 0.000 0.814 221 L CB 1.816 43.876 42.059 0.001 0.000 1.217 221 L HN 0.556 nan 8.230 nan 0.000 0.420 222 V N 4.934 124.844 119.914 -0.006 0.000 2.328 222 V HA 0.311 4.431 4.120 -0.000 0.000 0.278 222 V C 0.056 176.180 176.094 0.050 0.000 1.021 222 V CA -0.549 61.776 62.300 0.043 0.000 0.838 222 V CB 1.720 33.553 31.823 0.017 0.000 0.999 222 V HN 0.408 nan 8.190 nan 0.000 0.447 223 V N 4.605 124.552 119.914 0.055 0.000 2.398 223 V HA 0.789 4.909 4.120 -0.000 0.000 0.286 223 V C 0.787 176.908 176.094 0.046 0.000 1.026 223 V CA -0.133 62.190 62.300 0.039 0.000 0.868 223 V CB 1.516 33.348 31.823 0.014 0.000 0.982 223 V HN 0.882 nan 8.190 nan 0.000 0.443 224 G N 2.279 111.101 108.800 0.037 0.000 2.601 224 G HA2 0.576 4.536 3.960 -0.000 0.000 0.317 224 G HA3 0.576 4.536 3.960 -0.000 0.000 0.317 224 G C 0.877 175.790 174.900 0.022 0.000 1.246 224 G CA -0.001 45.110 45.100 0.019 0.000 1.012 224 G HN 0.875 nan 8.290 nan 0.000 0.494 225 A N -0.458 122.387 122.820 0.043 0.000 1.972 225 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 225 A C 2.622 180.258 177.584 0.086 0.000 1.169 225 A CA 2.379 54.480 52.037 0.107 0.000 0.635 225 A CB -0.732 18.383 19.000 0.192 0.000 0.810 225 A HN 1.344 nan 8.150 nan 0.000 0.446 226 A N -0.164 122.682 122.820 0.043 0.000 2.019 226 A HA 0.155 4.474 4.320 -0.000 0.000 0.219 226 A C 2.395 179.992 177.584 0.022 0.000 1.164 226 A CA 1.865 53.920 52.037 0.030 0.000 0.644 226 A CB -0.779 18.225 19.000 0.007 0.000 0.805 226 A HN 1.003 nan 8.150 nan 0.000 0.449 227 A N 0.012 122.841 122.820 0.015 0.000 1.930 227 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 227 A C 2.063 179.644 177.584 -0.004 0.000 1.175 227 A CA 1.464 53.505 52.037 0.007 0.000 0.627 227 A CB -0.518 18.485 19.000 0.004 0.000 0.815 227 A HN 0.503 nan 8.150 nan 0.000 0.443 228 I N -0.977 119.581 120.570 -0.020 0.000 2.252 228 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 228 I C 2.687 178.820 176.117 0.027 0.000 1.102 228 I CA 1.057 62.322 61.300 -0.057 0.000 1.385 228 I CB -0.313 37.545 38.000 -0.237 0.000 1.064 228 I HN 0.244 nan 8.210 nan 0.000 0.414 229 R N -0.027 120.523 120.500 0.083 0.000 2.120 229 R HA -0.129 4.210 4.340 -0.000 0.000 0.234 229 R C 2.410 178.737 176.300 0.044 0.000 1.123 229 R CA 1.446 57.600 56.100 0.089 0.000 0.975 229 R CB -0.415 29.934 30.300 0.081 0.000 0.866 229 R HN 0.230 nan 8.270 nan 0.000 0.446 230 S N -0.400 115.315 115.700 0.025 0.000 2.515 230 S HA -0.015 4.454 4.470 -0.000 0.000 0.231 230 S C 1.128 175.735 174.600 0.013 0.000 0.987 230 S CA 0.884 59.091 58.200 0.011 0.000 0.936 230 S CB -0.081 63.120 63.200 0.002 0.000 0.766 230 S HN 0.634 nan 8.310 nan 0.000 0.528 231 G N 0.194 109.003 108.800 0.015 0.000 2.182 231 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.248 231 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.248 231 G C 0.414 175.318 174.900 0.006 0.000 1.042 231 G CA 0.199 45.306 45.100 0.011 0.000 0.775 231 G HN 0.975 nan 8.290 nan 0.000 0.501 232 A N -0.967 121.854 122.820 0.003 0.000 2.387 232 A HA 0.661 4.981 4.320 -0.000 0.000 0.234 232 A C 2.101 179.684 177.584 -0.001 0.000 1.253 232 A CA 1.270 53.313 52.037 0.009 0.000 0.894 232 A CB 0.229 19.244 19.000 0.024 0.000 0.963 232 A HN 0.877 nan 8.150 nan 0.000 0.508 233 V N 1.143 121.046 119.914 -0.018 0.000 2.237 233 V HA -0.149 3.970 4.120 -0.000 0.000 0.245 233 V C -0.111 175.972 176.094 -0.018 0.000 1.046 233 V CA 2.677 64.958 62.300 -0.032 0.000 1.007 233 V CB -1.228 30.559 31.823 -0.059 0.000 0.638 233 V HN 0.373 nan 8.190 nan 0.000 0.445 234 P HA -0.170 nan 4.420 nan 0.000 0.216 234 P C 1.605 178.909 177.300 0.005 0.000 1.153 234 P CA 2.105 65.206 63.100 0.001 0.000 0.858 234 P CB -0.170 31.534 31.700 0.005 0.000 0.789 235 A N -1.107 121.717 122.820 0.007 0.000 1.930 235 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 235 A C 2.209 179.802 177.584 0.014 0.000 1.175 235 A CA 1.236 53.279 52.037 0.011 0.000 0.627 235 A CB -1.508 17.501 19.000 0.014 0.000 0.815 235 A HN 0.112 nan 8.150 nan 0.000 0.443 236 I N -0.914 119.663 120.570 0.012 0.000 2.202 236 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 236 I C 2.675 178.793 176.117 0.000 0.000 1.091 236 I CA 1.614 62.923 61.300 0.015 0.000 1.368 236 I CB -0.258 37.748 38.000 0.009 0.000 1.058 236 I HN 0.379 nan 8.210 nan 0.000 0.410 237 R N 1.309 121.799 120.500 -0.016 0.000 2.091 237 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 237 R C 2.312 178.617 176.300 0.007 0.000 1.136 237 R CA 1.756 57.838 56.100 -0.030 0.000 0.959 237 R CB -0.297 29.986 30.300 -0.027 0.000 0.856 237 R HN 0.358 nan 8.270 nan 0.000 0.437 238 A N 1.175 124.006 122.820 0.018 0.000 1.902 238 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 238 A C 2.063 179.663 177.584 0.026 0.000 1.181 238 A CA 1.292 53.345 52.037 0.026 0.000 0.623 238 A CB -0.608 18.403 19.000 0.018 0.000 0.818 238 A HN 0.416 nan 8.150 nan 0.000 0.443 239 L N -0.120 121.120 121.223 0.027 0.000 1.994 239 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 239 L C 2.680 179.581 176.870 0.051 0.000 1.071 239 L CA 2.404 57.269 54.840 0.041 0.000 0.745 239 L CB -0.799 41.304 42.059 0.073 0.000 0.892 239 L HN 0.330 nan 8.230 nan 0.000 0.431 240 A N -0.865 121.978 122.820 0.038 0.000 1.908 240 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 240 A C 2.172 179.782 177.584 0.043 0.000 1.181 240 A CA 1.996 54.049 52.037 0.026 0.000 0.627 240 A CB -0.684 18.300 19.000 -0.027 0.000 0.818 240 A HN 0.653 nan 8.150 nan 0.000 0.445 241 E N -1.044 119.191 120.200 0.059 0.000 2.072 241 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 241 E C 2.309 178.950 176.600 0.069 0.000 0.982 241 E CA 0.970 57.427 56.400 0.096 0.000 0.803 241 E CB -0.134 29.640 29.700 0.124 0.000 0.755 241 E HN 0.602 nan 8.360 nan 0.000 0.453 242 R N 0.740 121.271 120.500 0.051 0.000 2.073 242 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 242 R C 1.906 178.237 176.300 0.051 0.000 1.134 242 R CA 1.119 57.243 56.100 0.041 0.000 0.952 242 R CB -0.022 30.291 30.300 0.022 0.000 0.850 242 R HN 0.155 nan 8.270 nan 0.000 0.433 243 L N 0.473 121.732 121.223 0.061 0.000 2.592 243 L HA 0.096 4.436 4.340 -0.000 0.000 0.227 243 L C 0.254 177.172 176.870 0.080 0.000 1.127 243 L CA -0.107 54.782 54.840 0.081 0.000 0.884 243 L CB -0.129 41.991 42.059 0.102 0.000 1.065 243 L HN 0.346 nan 8.230 nan 0.000 0.457 244 N N 1.190 119.931 118.700 0.069 0.000 2.740 244 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 244 N C -0.495 175.042 175.510 0.044 0.000 1.062 244 N CA 0.474 53.562 53.050 0.063 0.000 0.704 244 N CB -1.225 37.305 38.487 0.071 0.000 0.968 244 N HN 0.321 nan 8.380 nan 0.000 0.547 245 I N 0.527 121.114 120.570 0.029 0.000 2.315 245 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 245 I C -1.814 174.235 176.117 -0.112 0.000 1.006 245 I CA -2.047 59.251 61.300 -0.003 0.000 1.265 245 I CB 1.228 39.258 38.000 0.049 0.000 1.387 245 I HN -0.006 nan 8.210 nan 0.000 0.475 246 P HA 0.018 nan 4.420 nan 0.000 0.266 246 P C -0.749 176.362 177.300 -0.314 0.000 1.195 246 P CA -0.055 62.694 63.100 -0.585 0.000 0.768 246 P CB 0.554 31.476 31.700 -1.298 0.000 0.838 247 V N 5.342 125.112 119.914 -0.240 0.000 2.357 247 V HA 0.337 4.457 4.120 -0.000 0.000 0.284 247 V C 0.396 176.468 176.094 -0.037 0.000 1.018 247 V CA -0.279 61.958 62.300 -0.105 0.000 0.841 247 V CB 0.755 32.522 31.823 -0.093 0.000 0.991 247 V HN 0.399 nan 8.190 nan 0.000 0.437 248 I N 4.629 125.202 120.570 0.006 0.000 2.460 248 I HA 0.637 4.806 4.170 -0.000 0.000 0.298 248 I C 0.472 176.643 176.117 0.090 0.000 0.989 248 I CA -0.095 61.246 61.300 0.070 0.000 1.173 248 I CB 2.382 40.443 38.000 0.102 0.000 1.338 248 I HN 0.743 nan 8.210 nan 0.000 0.456 249 T N 0.134 114.751 114.554 0.104 0.000 2.916 249 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 249 T C 0.038 174.822 174.700 0.140 0.000 1.064 249 T CA -0.762 61.400 62.100 0.103 0.000 1.011 249 T CB 1.618 70.534 68.868 0.080 0.000 1.152 249 T HN 0.659 nan 8.240 nan 0.000 0.510 250 T N 0.038 114.658 114.554 0.111 0.000 2.698 250 T HA 0.193 4.543 4.350 -0.000 0.000 0.295 250 T C 0.935 175.751 174.700 0.193 0.000 1.007 250 T CA -0.385 61.761 62.100 0.076 0.000 0.980 250 T CB -0.107 68.738 68.868 -0.038 0.000 1.036 250 T HN 0.536 nan 8.240 nan 0.000 0.526 251 Y N -0.398 119.975 120.300 0.122 0.000 2.128 251 Y HA 0.037 4.587 4.550 -0.000 0.000 0.284 251 Y C 2.321 178.371 175.900 0.250 0.000 1.154 251 Y CA 0.283 58.491 58.100 0.180 0.000 1.149 251 Y CB -0.908 37.649 38.460 0.161 0.000 0.976 251 Y HN 0.534 nan 8.280 nan 0.000 0.505 252 I N -0.585 120.180 120.570 0.326 0.000 3.883 252 I HA 0.113 4.283 4.170 -0.000 0.000 0.326 252 I C 1.594 177.874 176.117 0.271 0.000 1.283 252 I CA 0.254 61.746 61.300 0.321 0.000 1.161 252 I CB 0.003 38.163 38.000 0.267 0.000 1.012 252 I HN 0.100 nan 8.210 nan 0.000 0.421 253 A N 0.303 123.222 122.820 0.165 0.000 2.337 253 A HA 0.114 4.433 4.320 -0.000 0.000 0.227 253 A C 0.796 178.414 177.584 0.057 0.000 1.259 253 A CA -0.207 51.862 52.037 0.053 0.000 0.870 253 A CB -0.304 18.715 19.000 0.031 0.000 0.927 253 A HN 0.175 nan 8.150 nan 0.000 0.497 254 K N -0.451 120.031 120.400 0.136 0.000 2.489 254 K HA 0.310 4.630 4.320 -0.000 0.000 0.278 254 K C 1.210 177.854 176.600 0.073 0.000 1.000 254 K CA 1.033 57.388 56.287 0.112 0.000 1.012 254 K CB 0.148 32.746 32.500 0.163 0.000 0.903 254 K HN 0.612 nan 8.250 nan 0.000 0.485 255 G N 0.845 109.667 108.800 0.038 0.000 2.176 255 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 255 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 255 G C 0.694 175.579 174.900 -0.026 0.000 0.979 255 G CA 0.294 45.405 45.100 0.018 0.000 0.641 255 G HN 0.559 nan 8.290 nan 0.000 0.530 256 V N -1.792 118.093 119.914 -0.048 0.000 2.720 256 V HA 0.385 4.504 4.120 -0.000 0.000 0.256 256 V C 1.288 177.344 176.094 -0.063 0.000 1.082 256 V CA 1.624 63.881 62.300 -0.071 0.000 1.101 256 V CB -0.346 31.432 31.823 -0.075 0.000 0.693 256 V HN 0.469 nan 8.190 nan 0.000 0.479 257 L N 0.138 121.326 121.223 -0.058 0.000 2.333 257 L HA 0.595 4.934 4.340 -0.000 0.000 0.269 257 L C -2.529 174.350 176.870 0.015 0.000 1.010 257 L CA -2.291 52.509 54.840 -0.067 0.000 0.818 257 L CB 1.978 43.920 42.059 -0.195 0.000 1.306 257 L HN -0.055 nan 8.230 nan 0.000 0.430 258 P HA 0.037 nan 4.420 nan 0.000 0.269 258 P C -0.600 176.754 177.300 0.091 0.000 1.215 258 P CA -0.392 62.759 63.100 0.085 0.000 0.780 258 P CB 0.465 32.229 31.700 0.107 0.000 0.898 259 V N 2.221 122.172 119.914 0.063 0.000 2.644 259 V HA 0.183 4.303 4.120 -0.000 0.000 0.305 259 V C 1.740 177.871 176.094 0.062 0.000 1.053 259 V CA 2.053 64.386 62.300 0.055 0.000 1.186 259 V CB -0.657 31.190 31.823 0.041 0.000 0.895 259 V HN 1.057 nan 8.190 nan 0.000 0.490 260 G N 2.767 111.604 108.800 0.061 0.000 2.217 260 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 260 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 260 G C 0.351 175.293 174.900 0.070 0.000 0.990 260 G CA 0.239 45.368 45.100 0.048 0.000 0.627 260 G HN 0.923 nan 8.290 nan 0.000 0.522 261 H N 2.254 121.336 119.070 0.020 0.000 2.964 261 H HA 0.175 4.731 4.556 -0.000 0.000 0.328 261 H C 1.903 177.256 175.328 0.043 0.000 1.030 261 H CA 1.059 57.124 56.048 0.029 0.000 1.445 261 H CB 0.770 30.550 29.762 0.031 0.000 1.449 261 H HN 0.661 nan 8.280 nan 0.000 0.581 262 E N 4.487 124.805 120.200 0.197 0.000 2.265 262 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 262 E C 0.830 177.632 176.600 0.337 0.000 0.996 262 E CA 0.926 57.443 56.400 0.196 0.000 0.832 262 E CB 0.067 29.821 29.700 0.090 0.000 0.756 262 E HN 0.626 nan 8.360 nan 0.000 0.491 263 L N 0.758 122.258 121.223 0.461 0.000 2.607 263 L HA 0.139 4.479 4.340 -0.000 0.000 0.228 263 L C 0.997 177.958 176.870 0.152 0.000 1.123 263 L CA -0.373 54.592 54.840 0.209 0.000 0.890 263 L CB -0.118 41.955 42.059 0.023 0.000 1.103 263 L HN 0.028 nan 8.230 nan 0.000 0.468 264 N N 0.338 119.147 118.700 0.183 0.000 2.498 264 N HA -0.089 4.651 4.740 -0.000 0.000 0.277 264 N C 0.378 176.020 175.510 0.219 0.000 1.208 264 N CA 0.180 53.307 53.050 0.129 0.000 1.029 264 N CB 0.156 38.701 38.487 0.097 0.000 1.403 264 N HN 0.068 nan 8.380 nan 0.000 0.500 265 Y N 1.552 121.816 120.300 -0.059 0.000 2.529 265 Y HA 0.224 4.774 4.550 -0.000 0.000 0.290 265 Y C 1.768 177.619 175.900 -0.081 0.000 1.177 265 Y CA 0.354 58.403 58.100 -0.086 0.000 1.305 265 Y CB -0.368 38.020 38.460 -0.119 0.000 1.047 265 Y HN 0.598 nan 8.280 nan 0.000 0.522 266 G N -0.211 108.633 108.800 0.073 0.000 2.710 266 G HA2 0.146 4.106 3.960 -0.000 0.000 0.668 266 G HA3 0.146 4.106 3.960 -0.000 0.000 0.668 266 G C -0.608 174.312 174.900 0.034 0.000 1.320 266 G CA -0.758 44.348 45.100 0.011 0.000 0.860 266 G HN 0.504 nan 8.290 nan 0.000 0.538 267 A N -1.110 121.719 122.820 0.015 0.000 2.282 267 A HA 0.855 5.175 4.320 -0.000 0.000 0.319 267 A C 0.228 177.869 177.584 0.096 0.000 1.121 267 A CA 0.026 52.111 52.037 0.080 0.000 0.836 267 A CB 1.585 20.642 19.000 0.095 0.000 1.146 267 A HN 1.888 nan 8.150 nan 0.000 0.494 268 V N 0.706 120.740 119.914 0.200 0.000 2.483 268 V HA 0.689 4.809 4.120 -0.000 0.000 0.295 268 V C 0.331 176.624 176.094 0.332 0.000 1.035 268 V CA -0.107 62.339 62.300 0.244 0.000 0.896 268 V CB 1.610 33.637 31.823 0.340 0.000 0.986 268 V HN 1.049 nan 8.190 nan 0.000 0.447 269 T N 2.285 117.012 114.554 0.287 0.000 2.912 269 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 269 T C 1.131 176.002 174.700 0.286 0.000 1.052 269 T CA 0.252 62.599 62.100 0.413 0.000 0.996 269 T CB 1.718 70.829 68.868 0.406 0.000 1.070 269 T HN 0.825 nan 8.240 nan 0.000 0.465 270 G N 2.042 110.999 108.800 0.260 0.000 2.498 270 G HA2 0.020 3.979 3.960 -0.000 0.000 0.219 270 G HA3 0.020 3.979 3.960 -0.000 0.000 0.219 270 G C 0.183 175.084 174.900 0.001 0.000 1.119 270 G CA 0.786 45.930 45.100 0.074 0.000 0.766 270 G HN 0.673 nan 8.290 nan 0.000 0.552 274 G N 1.142 109.624 108.800 -0.531 0.000 2.408 274 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 274 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 274 G C 1.616 176.302 174.900 -0.356 0.000 1.150 274 G CA 0.638 45.119 45.100 -1.032 0.000 0.776 274 G HN 0.294 nan 8.290 nan 0.000 0.542 275 I N 0.075 120.597 120.570 -0.081 0.000 2.286 275 I HA -0.007 4.163 4.170 -0.000 0.000 0.245 275 I C 2.276 178.328 176.117 -0.110 0.000 1.104 275 I CA 0.740 62.041 61.300 0.003 0.000 1.397 275 I CB 0.007 37.813 38.000 -0.324 0.000 1.072 275 I HN 0.096 nan 8.210 nan 0.000 0.417 276 L N 0.031 121.126 121.223 -0.214 0.000 2.567 276 L HA 0.073 4.412 4.340 -0.000 0.000 0.225 276 L C 0.495 177.454 176.870 0.149 0.000 1.119 276 L CA -0.074 54.621 54.840 -0.242 0.000 0.871 276 L CB -0.495 41.380 42.059 -0.307 0.000 1.036 276 L HN 0.329 nan 8.230 nan 0.000 0.459 277 N N 0.932 119.702 118.700 0.117 0.000 2.678 277 N HA -0.307 4.433 4.740 -0.000 0.000 0.268 277 N C -0.827 174.802 175.510 0.198 0.000 1.010 277 N CA 0.539 53.664 53.050 0.126 0.000 0.784 277 N CB -0.892 37.694 38.487 0.165 0.000 0.905 277 N HN 0.288 nan 8.380 nan 0.000 0.552 278 F N 0.570 120.501 119.950 -0.032 0.000 2.650 278 F HA 0.465 4.992 4.527 -0.000 0.000 0.310 278 F C -2.284 173.491 175.800 -0.042 0.000 1.112 278 F CA -1.734 56.253 58.000 -0.022 0.000 0.986 278 F CB 1.783 40.770 39.000 -0.022 0.000 1.285 278 F HN 0.013 nan 8.300 nan 0.000 0.440 279 P HA 0.199 nan 4.420 nan 0.000 0.230 279 P C -0.249 177.062 177.300 0.018 0.000 1.791 279 P CA 0.329 63.294 63.100 -0.224 0.000 1.020 279 P CB 0.496 32.000 31.700 -0.326 0.000 1.977 280 A N 2.282 125.246 122.820 0.240 0.000 1.898 280 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 280 A C 2.084 179.763 177.584 0.158 0.000 1.183 280 A CA 0.829 53.042 52.037 0.292 0.000 0.622 280 A CB -0.991 18.119 19.000 0.182 0.000 0.824 280 A HN 0.329 nan 8.150 nan 0.000 0.444 281 L N -0.549 120.761 121.223 0.146 0.000 2.083 281 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 281 L C 2.887 179.898 176.870 0.235 0.000 1.083 281 L CA 1.126 56.102 54.840 0.226 0.000 0.752 281 L CB -0.438 41.750 42.059 0.215 0.000 0.899 281 L HN 0.398 nan 8.230 nan 0.000 0.433 282 Q N -0.442 119.442 119.800 0.141 0.000 2.079 282 Q HA -0.059 4.280 4.340 -0.000 0.000 0.200 282 Q C 1.143 177.209 176.000 0.110 0.000 0.974 282 Q CA 1.013 56.885 55.803 0.114 0.000 0.840 282 Q CB -0.498 28.265 28.738 0.041 0.000 0.898 282 Q HN 0.457 nan 8.270 nan 0.000 0.430 286 A N 1.406 124.327 122.820 0.168 0.000 1.892 286 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 286 A C -0.523 177.099 177.584 0.065 0.000 1.188 286 A CA 2.469 54.571 52.037 0.108 0.000 0.631 286 A CB -1.879 17.169 19.000 0.080 0.000 0.822 286 A HN 0.236 nan 8.150 nan 0.000 0.447 287 P HA 0.173 nan 4.420 nan 0.000 0.255 287 P C -0.091 177.228 177.300 0.032 0.000 1.248 287 P CA 0.184 63.307 63.100 0.039 0.000 0.807 287 P CB -0.035 31.685 31.700 0.033 0.000 1.150 288 V N 3.250 123.122 119.914 -0.069 0.000 2.572 288 V HA 0.017 4.137 4.120 -0.000 0.000 0.291 288 V C 1.490 177.619 176.094 0.058 0.000 1.039 288 V CA 0.754 63.038 62.300 -0.026 0.000 1.055 288 V CB 0.756 32.573 31.823 -0.010 0.000 0.969 288 V HN 0.170 nan 8.190 nan 0.000 0.482 289 D N 2.930 123.368 120.400 0.064 0.000 2.449 289 D HA 0.140 4.780 4.640 -0.000 0.000 0.210 289 D C -0.036 176.286 176.300 0.037 0.000 1.094 289 D CA -0.082 53.947 54.000 0.048 0.000 0.846 289 D CB 0.621 41.441 40.800 0.033 0.000 1.003 289 D HN 0.323 nan 8.370 nan 0.000 0.504 290 L N 1.281 122.525 121.223 0.034 0.000 2.441 290 L HA 0.462 4.802 4.340 -0.000 0.000 0.270 290 L C -1.626 175.224 176.870 -0.033 0.000 0.973 290 L CA -0.929 53.920 54.840 0.016 0.000 0.842 290 L CB 2.209 44.300 42.059 0.054 0.000 1.239 290 L HN -0.192 nan 8.230 nan 0.000 0.406 291 V N 6.522 126.354 119.914 -0.135 0.000 2.347 291 V HA 0.435 4.555 4.120 -0.000 0.000 0.280 291 V C -0.278 175.654 176.094 -0.269 0.000 1.021 291 V CA -0.394 61.729 62.300 -0.295 0.000 0.847 291 V CB 1.410 32.793 31.823 -0.733 0.000 0.990 291 V HN 0.553 nan 8.190 nan 0.000 0.444 292 L N 5.212 126.323 121.223 -0.187 0.000 2.283 292 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 292 L C 0.769 177.534 176.870 -0.176 0.000 1.033 292 L CA -0.127 54.617 54.840 -0.160 0.000 0.848 292 L CB 1.410 43.418 42.059 -0.085 0.000 1.226 292 L HN 0.764 nan 8.230 nan 0.000 0.429 293 T N 0.145 114.577 114.554 -0.203 0.000 2.855 293 T HA 0.390 4.740 4.350 -0.000 0.000 0.290 293 T C 0.058 174.751 174.700 -0.011 0.000 0.941 293 T CA -0.658 61.386 62.100 -0.092 0.000 1.030 293 T CB 0.149 68.951 68.868 -0.110 0.000 0.935 293 T HN 0.123 nan 8.240 nan 0.000 0.564 294 V N 3.677 123.583 119.914 -0.013 0.000 2.368 294 V HA 0.604 4.724 4.120 -0.000 0.000 0.266 294 V C 1.367 177.469 176.094 0.014 0.000 1.045 294 V CA 0.028 62.305 62.300 -0.038 0.000 0.899 294 V CB 0.057 31.877 31.823 -0.006 0.000 1.006 294 V HN 1.282 nan 8.190 nan 0.000 0.470 295 G N 3.929 112.731 108.800 0.002 0.000 2.289 295 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.280 295 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.280 295 G C -0.260 174.680 174.900 0.067 0.000 1.089 295 G CA -0.042 45.071 45.100 0.022 0.000 0.939 295 G HN 0.884 nan 8.290 nan 0.000 0.499 296 Y N 0.892 121.200 120.300 0.013 0.000 2.497 296 Y HA 0.482 5.031 4.550 -0.000 0.000 0.334 296 Y C 0.190 176.146 175.900 0.092 0.000 1.199 296 Y CA 0.169 58.316 58.100 0.078 0.000 1.425 296 Y CB 1.217 39.780 38.460 0.171 0.000 1.291 296 Y HN 0.249 nan 8.280 nan 0.000 0.562 297 D N 4.615 124.553 120.400 -0.771 0.000 2.613 297 D HA 0.014 4.654 4.640 -0.000 0.000 0.230 297 D C -0.227 175.709 176.300 -0.608 0.000 1.365 297 D CA -0.502 53.221 54.000 -0.462 0.000 0.976 297 D CB 0.239 40.912 40.800 -0.211 0.000 1.415 297 D HN 0.557 nan 8.370 nan 0.000 0.589 298 Y N 3.742 123.751 120.300 -0.485 0.000 2.256 298 Y HA -0.120 4.429 4.550 -0.000 0.000 0.288 298 Y C 1.944 177.743 175.900 -0.168 0.000 1.155 298 Y CA 2.177 60.145 58.100 -0.222 0.000 1.203 298 Y CB -0.171 38.313 38.460 0.041 0.000 0.980 298 Y HN 0.536 nan 8.280 nan 0.000 0.530 299 A N 0.079 122.824 122.820 -0.125 0.000 1.978 299 A HA -0.230 4.089 4.320 -0.000 0.000 0.220 299 A C 2.058 179.508 177.584 -0.223 0.000 1.170 299 A CA 1.869 53.805 52.037 -0.170 0.000 0.636 299 A CB -0.672 18.271 19.000 -0.093 0.000 0.810 299 A HN 0.620 nan 8.150 nan 0.000 0.448 300 E N -1.614 118.437 120.200 -0.249 0.000 2.409 300 E HA -0.117 4.232 4.350 -0.000 0.000 0.198 300 E C 0.269 176.635 176.600 -0.390 0.000 1.024 300 E CA 0.545 56.765 56.400 -0.300 0.000 0.861 300 E CB -0.081 29.457 29.700 -0.270 0.000 0.788 300 E HN 0.559 nan 8.360 nan 0.000 0.521 301 D N -0.880 119.329 120.400 -0.319 0.000 3.070 301 D HA -0.167 4.472 4.640 -0.000 0.000 0.210 301 D C -0.858 175.359 176.300 -0.138 0.000 1.103 301 D CA 0.252 54.094 54.000 -0.264 0.000 0.980 301 D CB -0.921 39.773 40.800 -0.177 0.000 1.100 301 D HN 0.081 nan 8.370 nan 0.000 0.423 302 L N 1.783 122.955 121.223 -0.085 0.000 2.385 302 L HA 0.368 4.708 4.340 -0.000 0.000 0.285 302 L C 0.212 177.205 176.870 0.205 0.000 1.125 302 L CA 0.204 55.106 54.840 0.104 0.000 0.890 302 L CB -0.044 42.126 42.059 0.184 0.000 1.251 302 L HN 0.003 nan 8.230 nan 0.000 0.445 303 R N 5.317 125.850 120.500 0.055 0.000 2.536 303 R HA 0.383 4.723 4.340 -0.000 0.000 0.279 303 R C -1.593 174.382 176.300 -0.542 0.000 1.001 303 R CA -1.677 54.414 56.100 -0.014 0.000 1.027 303 R CB 0.206 30.505 30.300 -0.002 0.000 1.096 303 R HN 0.346 nan 8.270 nan 0.000 0.502 304 P HA -0.207 nan 4.420 nan 0.000 0.216 304 P C 0.468 176.941 177.300 -1.380 0.000 1.150 304 P CA 1.302 63.201 63.100 -2.003 0.000 0.843 304 P CB 0.070 31.087 31.700 -1.137 0.000 0.787 308 Q N 2.906 122.527 119.800 -0.300 0.000 3.027 308 Q HA 0.239 4.579 4.340 -0.000 0.000 0.260 308 Q C -0.373 175.606 176.000 -0.036 0.000 1.379 308 Q CA 0.419 56.146 55.803 -0.128 0.000 1.038 308 Q CB 0.239 28.834 28.738 -0.239 0.000 1.578 308 Q HN -0.128 nan 8.270 nan 0.000 0.571 309 K N 0.399 120.832 120.400 0.054 0.000 2.427 309 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 309 K C 0.418 177.074 176.600 0.093 0.000 0.931 309 K CA -0.098 56.238 56.287 0.082 0.000 0.793 309 K CB 1.988 34.582 32.500 0.157 0.000 1.211 309 K HN 0.476 nan 8.250 nan 0.000 0.426 310 G N 2.682 111.519 108.800 0.063 0.000 2.561 310 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.289 310 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.289 310 G C 0.266 175.198 174.900 0.052 0.000 1.169 310 G CA 0.220 45.354 45.100 0.057 0.000 0.980 310 G HN 0.784 nan 8.290 nan 0.000 0.550 311 I N -0.254 120.351 120.570 0.058 0.000 3.004 311 I HA 0.578 4.747 4.170 -0.000 0.000 0.287 311 I C 0.352 176.502 176.117 0.054 0.000 1.144 311 I CA -0.623 60.707 61.300 0.050 0.000 1.353 311 I CB 0.535 38.565 38.000 0.051 0.000 1.417 311 I HN 0.424 nan 8.210 nan 0.000 0.602 312 E N 3.595 123.822 120.200 0.044 0.000 2.384 312 E HA 0.202 4.552 4.350 -0.000 0.000 0.266 312 E C -0.838 175.795 176.600 0.055 0.000 1.012 312 E CA 0.206 56.634 56.400 0.046 0.000 0.901 312 E CB 0.838 30.558 29.700 0.034 0.000 0.967 312 E HN 0.493 nan 8.360 nan 0.000 0.435 313 K N 2.047 122.489 120.400 0.070 0.000 2.328 313 K HA 0.383 4.702 4.320 -0.000 0.000 0.246 313 K C -0.059 176.581 176.600 0.066 0.000 0.955 313 K CA -0.847 55.482 56.287 0.070 0.000 0.817 313 K CB 1.828 34.385 32.500 0.094 0.000 1.208 313 K HN 0.092 nan 8.250 nan 0.000 0.432 314 K N 1.154 121.581 120.400 0.046 0.000 2.095 314 K HA 0.400 4.719 4.320 -0.000 0.000 0.252 314 K C -0.330 176.285 176.600 0.025 0.000 0.977 314 K CA -0.515 55.798 56.287 0.044 0.000 0.900 314 K CB 1.813 34.336 32.500 0.038 0.000 1.060 314 K HN 0.831 nan 8.250 nan 0.000 0.449 315 T N -2.506 112.069 114.554 0.036 0.000 2.900 315 T HA 0.541 4.891 4.350 -0.000 0.000 0.295 315 T C -0.493 174.199 174.700 -0.014 0.000 1.044 315 T CA -0.848 61.257 62.100 0.007 0.000 0.995 315 T CB 1.422 70.384 68.868 0.156 0.000 1.072 315 T HN 0.135 nan 8.240 nan 0.000 0.473 316 V N 2.321 122.197 119.914 -0.063 0.000 2.444 316 V HA 0.571 4.691 4.120 -0.000 0.000 0.294 316 V C 0.177 176.185 176.094 -0.143 0.000 1.022 316 V CA -0.984 61.254 62.300 -0.104 0.000 0.850 316 V CB 1.490 33.248 31.823 -0.108 0.000 0.992 316 V HN 0.977 nan 8.190 nan 0.000 0.426 317 R N 4.203 124.597 120.500 -0.177 0.000 2.297 317 R HA 0.716 5.055 4.340 -0.000 0.000 0.308 317 R C -1.392 174.761 176.300 -0.244 0.000 1.029 317 R CA -0.481 55.520 56.100 -0.165 0.000 0.929 317 R CB 0.928 31.070 30.300 -0.263 0.000 1.046 317 R HN 0.666 nan 8.270 nan 0.000 0.461 318 I N 2.814 123.231 120.570 -0.254 0.000 2.439 318 I HA 0.299 4.468 4.170 -0.000 0.000 0.285 318 I C -0.604 175.410 176.117 -0.171 0.000 1.021 318 I CA -0.024 61.059 61.300 -0.362 0.000 1.091 318 I CB 2.015 39.593 38.000 -0.703 0.000 1.242 318 I HN 0.530 nan 8.210 nan 0.000 0.439 319 S N 6.757 122.373 115.700 -0.139 0.000 2.537 319 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 319 S C -2.607 171.935 174.600 -0.098 0.000 1.142 319 S CA -1.143 57.013 58.200 -0.075 0.000 0.870 319 S CB 2.083 65.282 63.200 -0.002 0.000 1.112 319 S HN 0.359 nan 8.310 nan 0.000 0.466 320 P HA 0.188 nan 4.420 nan 0.000 0.259 320 P C -0.099 177.165 177.300 -0.060 0.000 1.480 320 P CA 0.148 63.194 63.100 -0.091 0.000 0.842 320 P CB -0.833 30.820 31.700 -0.078 0.000 1.513 321 T N -4.080 110.448 114.554 -0.044 0.000 2.900 321 T HA 0.415 4.765 4.350 -0.000 0.000 0.303 321 T C -0.252 174.433 174.700 -0.026 0.000 1.142 321 T CA -0.785 61.299 62.100 -0.026 0.000 1.007 321 T CB 1.313 70.177 68.868 -0.007 0.000 1.156 321 T HN -0.247 nan 8.240 nan 0.000 0.490 322 V N 2.605 122.507 119.914 -0.021 0.000 2.811 322 V HA 0.215 4.334 4.120 -0.000 0.000 0.302 322 V C 0.991 177.075 176.094 -0.017 0.000 1.063 322 V CA -0.583 61.703 62.300 -0.024 0.000 1.088 322 V CB 0.556 32.367 31.823 -0.019 0.000 0.982 322 V HN 0.997 nan 8.190 nan 0.000 0.485 323 N N 6.119 124.800 118.700 -0.033 0.000 2.429 323 N HA 0.082 4.822 4.740 -0.000 0.000 0.271 323 N C -1.182 174.319 175.510 -0.016 0.000 1.272 323 N CA -1.382 51.651 53.050 -0.028 0.000 0.921 323 N CB 0.962 39.394 38.487 -0.092 0.000 1.128 323 N HN 0.408 nan 8.380 nan 0.000 0.481 324 P HA 0.085 nan 4.420 nan 0.000 0.245 324 P C 0.170 177.462 177.300 -0.013 0.000 1.206 324 P CA 0.574 63.677 63.100 0.005 0.000 0.781 324 P CB -0.053 31.664 31.700 0.028 0.000 0.994 325 I N -3.947 116.603 120.570 -0.034 0.000 2.944 325 I HA 0.406 4.575 4.170 -0.000 0.000 0.334 325 I C -1.931 174.131 176.117 -0.091 0.000 1.420 325 I CA -2.395 58.849 61.300 -0.093 0.000 0.856 325 I CB 1.133 38.992 38.000 -0.234 0.000 2.091 325 I HN -0.342 nan 8.210 nan 0.000 0.571 326 P HA -0.203 nan 4.420 nan 0.000 0.221 326 P C 1.514 178.778 177.300 -0.060 0.000 1.145 326 P CA 1.184 64.243 63.100 -0.070 0.000 0.795 326 P CB 0.096 31.759 31.700 -0.063 0.000 0.775 327 R N 0.194 120.655 120.500 -0.064 0.000 2.127 327 R HA -0.076 4.263 4.340 -0.000 0.000 0.238 327 R C 1.653 177.911 176.300 -0.071 0.000 1.134 327 R CA 1.436 57.500 56.100 -0.059 0.000 0.975 327 R CB -0.210 30.058 30.300 -0.054 0.000 0.865 327 R HN 0.074 nan 8.270 nan 0.000 0.447 328 V N -1.189 118.660 119.914 -0.108 0.000 3.048 328 V HA 0.053 4.172 4.120 -0.000 0.000 0.241 328 V C -0.127 175.934 176.094 -0.055 0.000 1.129 328 V CA 0.336 62.553 62.300 -0.138 0.000 1.128 328 V CB 0.164 31.784 31.823 -0.337 0.000 0.849 328 V HN 0.185 nan 8.190 nan 0.000 0.475 329 Y N 2.341 122.524 120.300 -0.195 0.000 2.363 329 Y HA 0.555 5.105 4.550 -0.000 0.000 0.325 329 Y C -0.172 175.670 175.900 -0.096 0.000 0.984 329 Y CA -1.941 56.073 58.100 -0.144 0.000 1.248 329 Y CB 0.798 39.163 38.460 -0.158 0.000 1.116 329 Y HN 0.049 nan 8.280 nan 0.000 0.470 330 R N 7.425 127.946 120.500 0.035 0.000 2.423 330 R HA 0.322 4.661 4.340 -0.000 0.000 0.293 330 R C -2.631 173.586 176.300 -0.139 0.000 1.196 330 R CA -1.668 54.366 56.100 -0.110 0.000 1.262 330 R CB 0.884 31.160 30.300 -0.040 0.000 1.116 330 R HN 0.467 nan 8.270 nan 0.000 0.566 331 P HA 0.028 nan 4.420 nan 0.000 0.269 331 P C 0.082 177.313 177.300 -0.114 0.000 1.209 331 P CA -0.183 62.748 63.100 -0.281 0.000 0.776 331 P CB 1.127 32.512 31.700 -0.525 0.000 0.876 332 D N 0.075 120.454 120.400 -0.034 0.000 2.117 332 D HA -0.032 4.608 4.640 -0.000 0.000 0.198 332 D C 0.368 176.650 176.300 -0.030 0.000 0.982 332 D CA 1.456 55.445 54.000 -0.017 0.000 0.828 332 D CB 0.274 41.082 40.800 0.014 0.000 0.967 332 D HN 0.121 nan 8.370 nan 0.000 0.464 333 V N 1.061 120.948 119.914 -0.045 0.000 2.588 333 V HA 0.218 4.338 4.120 -0.000 0.000 0.304 333 V C -0.775 175.261 176.094 -0.096 0.000 1.042 333 V CA -0.881 61.394 62.300 -0.041 0.000 0.877 333 V CB 2.499 34.325 31.823 0.005 0.000 0.996 333 V HN -0.127 nan 8.190 nan 0.000 0.425 334 D N 3.156 123.501 120.400 -0.091 0.000 2.440 334 D HA 0.475 5.115 4.640 -0.000 0.000 0.239 334 D C -0.896 175.360 176.300 -0.073 0.000 1.084 334 D CA -0.149 53.776 54.000 -0.126 0.000 0.843 334 D CB 2.034 42.753 40.800 -0.136 0.000 1.097 334 D HN 0.269 nan 8.370 nan 0.000 0.531 335 V N 4.412 124.259 119.914 -0.111 0.000 2.277 335 V HA 0.249 4.369 4.120 -0.000 0.000 0.269 335 V C 0.283 176.318 176.094 -0.099 0.000 1.036 335 V CA -0.832 61.436 62.300 -0.054 0.000 0.821 335 V CB 1.348 33.089 31.823 -0.137 0.000 1.052 335 V HN 0.330 nan 8.190 nan 0.000 0.462 336 V N 4.883 124.771 119.914 -0.043 0.000 2.320 336 V HA 0.602 4.722 4.120 -0.000 0.000 0.265 336 V C 0.355 176.335 176.094 -0.190 0.000 1.048 336 V CA 0.462 62.706 62.300 -0.095 0.000 0.865 336 V CB 0.790 32.582 31.823 -0.052 0.000 1.043 336 V HN 0.984 nan 8.190 nan 0.000 0.474 337 T N 2.607 116.979 114.554 -0.303 0.000 2.677 337 T HA 0.239 4.589 4.350 -0.000 0.000 0.305 337 T C -1.498 172.980 174.700 -0.371 0.000 1.569 337 T CA -0.656 61.120 62.100 -0.541 0.000 0.984 337 T CB 1.738 69.879 68.868 -1.212 0.000 1.629 337 T HN 0.703 nan 8.240 nan 0.000 0.494 338 D N 0.754 120.927 120.400 -0.379 0.000 2.424 338 D HA 0.241 4.880 4.640 -0.000 0.000 0.244 338 D C 1.508 177.719 176.300 -0.148 0.000 1.134 338 D CA 0.108 53.982 54.000 -0.210 0.000 0.881 338 D CB 0.870 41.569 40.800 -0.168 0.000 1.191 338 D HN 0.235 nan 8.370 nan 0.000 0.445 339 V N 3.943 123.819 119.914 -0.064 0.000 2.255 339 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 339 V C 2.253 178.393 176.094 0.076 0.000 1.051 339 V CA 1.490 63.802 62.300 0.019 0.000 1.018 339 V CB -0.752 31.081 31.823 0.017 0.000 0.641 339 V HN 0.626 nan 8.190 nan 0.000 0.445 340 L N 0.892 122.133 121.223 0.029 0.000 2.042 340 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 340 L C 2.432 179.330 176.870 0.046 0.000 1.076 340 L CA 2.452 57.314 54.840 0.036 0.000 0.749 340 L CB -0.967 41.104 42.059 0.019 0.000 0.893 340 L HN 0.243 nan 8.230 nan 0.000 0.432 341 A N -1.039 121.787 122.820 0.010 0.000 1.933 341 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 341 A C 2.255 179.931 177.584 0.154 0.000 1.175 341 A CA 1.725 53.787 52.037 0.042 0.000 0.628 341 A CB -1.160 17.777 19.000 -0.105 0.000 0.814 341 A HN 0.583 nan 8.150 nan 0.000 0.444 342 F N 0.936 120.851 119.950 -0.058 0.000 2.095 342 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 342 F C 2.123 178.051 175.800 0.213 0.000 1.104 342 F CA 2.096 60.170 58.000 0.124 0.000 1.232 342 F CB -0.501 38.480 39.000 -0.032 0.000 0.987 342 F HN 0.017 nan 8.300 nan 0.000 0.475 343 V N 0.658 120.498 119.914 -0.124 0.000 2.358 343 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 343 V C 2.278 178.317 176.094 -0.092 0.000 1.047 343 V CA 2.291 64.464 62.300 -0.212 0.000 1.035 343 V CB -0.755 31.062 31.823 -0.010 0.000 0.658 343 V HN 0.372 nan 8.190 nan 0.000 0.452 344 E N -0.612 119.594 120.200 0.009 0.000 2.106 344 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 344 E C 2.155 178.783 176.600 0.046 0.000 0.984 344 E CA 1.411 57.833 56.400 0.035 0.000 0.806 344 E CB -0.207 29.536 29.700 0.072 0.000 0.750 344 E HN 0.752 nan 8.360 nan 0.000 0.458 345 H N -0.548 118.552 119.070 0.050 0.000 2.389 345 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 345 H C 1.665 176.972 175.328 -0.034 0.000 1.081 345 H CA 1.342 57.420 56.048 0.050 0.000 1.345 345 H CB -0.034 29.850 29.762 0.202 0.000 1.393 345 H HN 0.095 nan 8.280 nan 0.000 0.520 346 F N 1.174 120.937 119.950 -0.311 0.000 2.206 346 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 346 F C 2.268 177.851 175.800 -0.362 0.000 1.090 346 F CA 1.171 58.917 58.000 -0.423 0.000 1.323 346 F CB -0.062 38.497 39.000 -0.734 0.000 1.028 346 F HN 0.177 nan 8.300 nan 0.000 0.492 347 E N -0.330 119.765 120.200 -0.175 0.000 2.058 347 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 347 E C 2.185 178.616 176.600 -0.282 0.000 0.997 347 E CA 2.038 58.312 56.400 -0.210 0.000 0.801 347 E CB -0.773 28.863 29.700 -0.108 0.000 0.746 347 E HN 0.343 nan 8.360 nan 0.000 0.450 348 T N 1.220 115.614 114.554 -0.267 0.000 2.684 348 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 348 T C 1.942 176.421 174.700 -0.369 0.000 1.036 348 T CA 1.630 63.562 62.100 -0.281 0.000 1.148 348 T CB -0.234 68.471 68.868 -0.273 0.000 0.863 348 T HN 0.280 nan 8.240 nan 0.000 0.436 349 A N 1.422 123.948 122.820 -0.490 0.000 2.015 349 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 349 A C 2.325 179.495 177.584 -0.689 0.000 1.163 349 A CA 1.774 53.511 52.037 -0.500 0.000 0.646 349 A CB -0.662 18.061 19.000 -0.463 0.000 0.806 349 A HN 0.604 nan 8.150 nan 0.000 0.448 350 T N -4.269 109.741 114.554 -0.906 0.000 3.134 350 T HA 0.555 4.904 4.350 -0.000 0.000 0.260 350 T C 1.428 175.709 174.700 -0.698 0.000 1.027 350 T CA 0.717 61.974 62.100 -1.406 0.000 0.913 350 T CB 0.332 68.270 68.868 -1.549 0.000 1.046 350 T HN 0.409 nan 8.240 nan 0.000 0.553 351 A N 2.486 125.068 122.820 -0.397 0.000 1.940 351 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 351 A C 2.611 180.144 177.584 -0.085 0.000 1.176 351 A CA 2.027 53.946 52.037 -0.197 0.000 0.631 351 A CB -1.029 17.880 19.000 -0.152 0.000 0.814 351 A HN 0.777 nan 8.150 nan 0.000 0.446 352 S N -1.357 114.325 115.700 -0.030 0.000 2.489 352 S HA 0.155 4.624 4.470 -0.000 0.000 0.228 352 S C 0.349 175.077 174.600 0.214 0.000 0.995 352 S CA -0.362 57.889 58.200 0.086 0.000 0.934 352 S CB -0.453 62.803 63.200 0.093 0.000 0.771 352 S HN 0.149 nan 8.310 nan 0.000 0.522 353 F N 2.855 122.755 119.950 -0.083 0.000 2.518 353 F HA 0.604 5.131 4.527 -0.000 0.000 0.359 353 F C 1.440 177.211 175.800 -0.048 0.000 1.118 353 F CA -1.015 56.943 58.000 -0.071 0.000 1.287 353 F CB -0.261 38.683 39.000 -0.094 0.000 1.132 353 F HN 0.189 nan 8.300 nan 0.000 0.587 354 G N 0.382 109.256 108.800 0.122 0.000 2.531 354 G HA2 0.583 4.543 3.960 -0.000 0.000 0.313 354 G HA3 0.583 4.543 3.960 -0.000 0.000 0.313 354 G C -1.031 173.914 174.900 0.076 0.000 1.238 354 G CA -0.615 44.528 45.100 0.071 0.000 0.994 354 G HN 0.855 nan 8.290 nan 0.000 0.493 355 A N 0.306 123.160 122.820 0.058 0.000 2.388 355 A HA 0.552 4.872 4.320 -0.000 0.000 0.257 355 A C 0.551 178.170 177.584 0.057 0.000 1.095 355 A CA -0.378 51.697 52.037 0.064 0.000 0.791 355 A CB 0.402 19.436 19.000 0.057 0.000 1.029 355 A HN 0.448 nan 8.150 nan 0.000 0.489 356 K N 1.433 121.877 120.400 0.073 0.000 2.138 356 K HA 0.172 4.491 4.320 -0.000 0.000 0.251 356 K C 0.029 176.687 176.600 0.096 0.000 1.015 356 K CA -0.107 56.227 56.287 0.077 0.000 0.917 356 K CB 0.396 32.958 32.500 0.104 0.000 1.021 356 K HN 0.741 nan 8.250 nan 0.000 0.485 357 Q N 2.287 122.158 119.800 0.119 0.000 2.314 357 Q HA 0.106 4.446 4.340 -0.000 0.000 0.257 357 Q C 0.234 176.406 176.000 0.287 0.000 0.975 357 Q CA -0.263 55.644 55.803 0.172 0.000 0.933 357 Q CB 0.854 29.698 28.738 0.177 0.000 1.195 357 Q HN 0.442 nan 8.270 nan 0.000 0.426 358 R N 2.351 122.967 120.500 0.194 0.000 2.539 358 R HA 0.194 4.534 4.340 -0.000 0.000 0.275 358 R C 0.237 176.577 176.300 0.066 0.000 1.077 358 R CA -0.609 55.587 56.100 0.160 0.000 1.097 358 R CB 0.515 30.854 30.300 0.064 0.000 1.018 358 R HN 0.594 nan 8.270 nan 0.000 0.483 359 H N 0.235 119.203 119.070 -0.171 0.000 2.607 359 H HA 0.117 4.672 4.556 -0.000 0.000 0.367 359 H C -0.970 174.353 175.328 -0.009 0.000 1.181 359 H CA -0.587 55.265 56.048 -0.327 0.000 1.402 359 H CB 0.827 30.295 29.762 -0.490 0.000 1.474 359 H HN 0.668 nan 8.280 nan 0.000 0.596 360 D N 2.017 122.398 120.400 -0.031 0.000 2.317 360 D HA 0.136 4.776 4.640 -0.000 0.000 0.234 360 D C 0.768 177.015 176.300 -0.088 0.000 1.112 360 D CA -0.649 53.311 54.000 -0.067 0.000 0.840 360 D CB 0.215 41.007 40.800 -0.015 0.000 1.078 360 D HN 0.679 nan 8.370 nan 0.000 0.486 361 I N 0.493 120.914 120.570 -0.248 0.000 3.936 361 I HA 0.292 4.461 4.170 -0.000 0.000 0.330 361 I C 1.001 176.989 176.117 -0.215 0.000 1.509 361 I CA -0.468 60.689 61.300 -0.238 0.000 1.126 361 I CB 0.591 38.330 38.000 -0.434 0.000 1.115 361 I HN 0.011 nan 8.210 nan 0.000 0.424 362 E N 2.326 122.430 120.200 -0.160 0.000 2.118 362 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 362 E C -0.424 176.136 176.600 -0.067 0.000 0.992 362 E CA 1.498 57.828 56.400 -0.116 0.000 0.804 362 E CB -1.553 28.102 29.700 -0.074 0.000 0.741 362 E HN 0.497 nan 8.360 nan 0.000 0.458 363 P HA -0.131 nan 4.420 nan 0.000 0.216 363 P C 1.701 178.970 177.300 -0.051 0.000 1.150 363 P CA 0.735 63.894 63.100 0.097 0.000 0.837 363 P CB -0.032 31.823 31.700 0.258 0.000 0.786 364 L N -0.290 120.860 121.223 -0.121 0.000 2.056 364 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 364 L C 2.304 178.958 176.870 -0.360 0.000 1.078 364 L CA 1.780 56.363 54.840 -0.428 0.000 0.749 364 L CB -0.928 41.021 42.059 -0.183 0.000 0.901 364 L HN -0.230 nan 8.230 nan 0.000 0.433 365 R N -0.554 119.807 120.500 -0.232 0.000 2.096 365 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 365 R C 2.242 178.462 176.300 -0.133 0.000 1.127 365 R CA 1.270 57.264 56.100 -0.176 0.000 0.968 365 R CB -0.593 29.610 30.300 -0.161 0.000 0.861 365 R HN 0.543 nan 8.270 nan 0.000 0.440 366 A N 0.984 123.728 122.820 -0.126 0.000 1.902 366 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 366 A C 2.109 179.643 177.584 -0.083 0.000 1.181 366 A CA 1.460 53.451 52.037 -0.076 0.000 0.623 366 A CB -0.352 18.624 19.000 -0.040 0.000 0.818 366 A HN 0.103 nan 8.150 nan 0.000 0.443 367 R N 0.201 120.579 120.500 -0.204 0.000 2.073 367 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 367 R C 1.782 178.076 176.300 -0.009 0.000 1.134 367 R CA 1.796 57.788 56.100 -0.180 0.000 0.952 367 R CB -0.823 29.092 30.300 -0.641 0.000 0.850 367 R HN 0.548 nan 8.270 nan 0.000 0.433 368 I N 0.242 120.759 120.570 -0.087 0.000 2.208 368 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 368 I C 2.233 178.441 176.117 0.151 0.000 1.097 368 I CA 1.531 62.891 61.300 0.100 0.000 1.363 368 I CB -0.365 37.636 38.000 0.003 0.000 1.051 368 I HN 0.306 nan 8.210 nan 0.000 0.413 369 A N -0.091 122.761 122.820 0.053 0.000 1.969 369 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 369 A C 2.318 179.921 177.584 0.033 0.000 1.169 369 A CA 1.679 53.738 52.037 0.037 0.000 0.635 369 A CB -0.561 18.442 19.000 0.006 0.000 0.810 369 A HN 0.510 nan 8.150 nan 0.000 0.445 370 E N -1.199 119.026 120.200 0.043 0.000 2.072 370 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 370 E C 1.628 178.211 176.600 -0.028 0.000 0.985 370 E CA 1.105 57.513 56.400 0.014 0.000 0.801 370 E CB -0.233 29.481 29.700 0.023 0.000 0.750 370 E HN 0.558 nan 8.360 nan 0.000 0.452 371 F N 0.974 120.816 119.950 -0.179 0.000 2.102 371 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 371 F C 2.232 177.835 175.800 -0.328 0.000 1.105 371 F CA 1.153 58.916 58.000 -0.396 0.000 1.239 371 F CB -0.235 38.437 39.000 -0.547 0.000 0.991 371 F HN 0.047 nan 8.300 nan 0.000 0.474 372 L N -0.985 120.179 121.223 -0.097 0.000 2.131 372 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 372 L C 2.346 179.212 176.870 -0.006 0.000 1.092 372 L CA 1.104 55.898 54.840 -0.077 0.000 0.759 372 L CB -0.769 41.274 42.059 -0.026 0.000 0.903 372 L HN 0.120 nan 8.230 nan 0.000 0.435 373 A N -1.648 121.169 122.820 -0.005 0.000 2.238 373 A HA -0.055 4.265 4.320 -0.000 0.000 0.210 373 A C 0.620 178.206 177.584 0.003 0.000 1.179 373 A CA -0.217 51.821 52.037 0.001 0.000 0.827 373 A CB -0.300 18.698 19.000 -0.003 0.000 0.856 373 A HN 0.254 nan 8.150 nan 0.000 0.488 374 D N 1.370 121.775 120.400 0.008 0.000 2.854 374 D HA -0.057 4.583 4.640 -0.000 0.000 0.243 374 D C -1.356 174.965 176.300 0.036 0.000 1.243 374 D CA -0.568 53.447 54.000 0.026 0.000 0.883 374 D CB 0.863 41.736 40.800 0.123 0.000 1.145 374 D HN 0.254 nan 8.370 nan 0.000 0.555 375 P HA 0.024 nan 4.420 nan 0.000 0.257 375 P C 0.361 177.627 177.300 -0.056 0.000 1.241 375 P CA -0.033 63.055 63.100 -0.021 0.000 0.816 375 P CB 0.266 31.949 31.700 -0.030 0.000 1.150 376 E N 0.724 120.865 120.200 -0.099 0.000 2.418 376 E HA 0.089 4.439 4.350 -0.000 0.000 0.261 376 E C -0.553 175.871 176.600 -0.294 0.000 1.070 376 E CA 0.261 56.504 56.400 -0.262 0.000 0.931 376 E CB 0.317 29.737 29.700 -0.466 0.000 0.954 376 E HN -0.065 nan 8.360 nan 0.000 0.439 377 T N 3.488 117.845 114.554 -0.329 0.000 2.794 377 T HA 0.316 4.665 4.350 -0.000 0.000 0.280 377 T C -1.202 173.297 174.700 -0.335 0.000 0.987 377 T CA -0.296 61.676 62.100 -0.212 0.000 0.993 377 T CB 0.280 69.082 68.868 -0.110 0.000 0.939 377 T HN 0.287 nan 8.240 nan 0.000 0.449 378 Y N 0.626 120.902 120.300 -0.039 0.000 2.387 378 Y HA 0.498 5.047 4.550 -0.001 0.000 0.336 378 Y C 1.633 177.510 175.900 -0.038 0.000 1.067 378 Y CA -0.785 57.293 58.100 -0.037 0.000 1.114 378 Y CB 0.843 39.275 38.460 -0.047 0.000 1.208 378 Y HN 0.817 nan 8.280 nan 0.000 0.458 379 E N 1.559 121.825 120.200 0.111 0.000 2.047 379 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 379 E C 0.651 177.276 176.600 0.041 0.000 0.987 379 E CA 1.850 58.279 56.400 0.049 0.000 0.799 379 E CB -0.815 28.905 29.700 0.032 0.000 0.752 379 E HN 0.819 nan 8.360 nan 0.000 0.449 380 D N -0.006 120.422 120.400 0.047 0.000 1.864 380 D HA 0.311 4.951 4.640 -0.000 0.000 0.255 380 D C 1.219 177.515 176.300 -0.007 0.000 1.119 380 D CA 0.387 54.389 54.000 0.004 0.000 0.941 380 D CB -0.885 39.899 40.800 -0.027 0.000 1.300 380 D HN 0.434 nan 8.370 nan 0.000 0.485 384 V N 1.896 121.497 119.914 -0.521 0.000 2.407 384 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 384 V C 2.065 178.083 176.094 -0.125 0.000 1.055 384 V CA 2.622 64.724 62.300 -0.329 0.000 1.049 384 V CB -0.738 30.819 31.823 -0.444 0.000 0.662 384 V HN 0.813 nan 8.190 nan 0.000 0.455 385 H N 0.196 119.323 119.070 0.096 0.000 2.387 385 H HA -0.178 4.377 4.556 -0.000 0.000 0.299 385 H C 2.135 177.414 175.328 -0.082 0.000 1.099 385 H CA 1.621 57.645 56.048 -0.040 0.000 1.315 385 H CB -0.645 28.984 29.762 -0.222 0.000 1.380 385 H HN 0.444 nan 8.280 nan 0.000 0.513 386 Q N 0.746 120.452 119.800 -0.158 0.000 2.119 386 Q HA -0.066 4.274 4.340 -0.000 0.000 0.201 386 Q C 2.520 178.493 176.000 -0.046 0.000 0.972 386 Q CA 1.392 57.159 55.803 -0.059 0.000 0.847 386 Q CB 0.044 28.737 28.738 -0.075 0.000 0.903 386 Q HN 0.393 nan 8.270 nan 0.000 0.433 387 V N 0.941 120.807 119.914 -0.081 0.000 2.295 387 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 387 V C 2.091 178.199 176.094 0.024 0.000 1.049 387 V CA 1.651 63.923 62.300 -0.046 0.000 1.024 387 V CB -0.399 31.375 31.823 -0.083 0.000 0.648 387 V HN 0.326 nan 8.190 nan 0.000 0.447 388 I N 0.210 120.822 120.570 0.070 0.000 2.353 388 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 388 I C 2.305 178.493 176.117 0.119 0.000 1.119 388 I CA 1.768 63.151 61.300 0.139 0.000 1.417 388 I CB -0.365 37.771 38.000 0.226 0.000 1.078 388 I HN 0.356 nan 8.210 nan 0.000 0.421 389 D N 0.537 120.981 120.400 0.074 0.000 2.133 389 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 389 D C 1.315 177.657 176.300 0.070 0.000 0.997 389 D CA 0.969 55.006 54.000 0.062 0.000 0.840 389 D CB 0.140 40.959 40.800 0.031 0.000 0.947 389 D HN 0.198 nan 8.370 nan 0.000 0.452 393 T N 2.141 116.760 114.554 0.107 0.000 2.746 393 T HA 0.042 4.392 4.350 -0.000 0.000 0.267 393 T C 1.240 176.002 174.700 0.104 0.000 1.039 393 T CA 1.088 63.240 62.100 0.086 0.000 1.142 393 T CB 0.059 68.969 68.868 0.071 0.000 0.866 393 T HN -0.045 nan 8.240 nan 0.000 0.444 397 E N 0.761 120.980 120.200 0.031 0.000 2.107 397 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 397 E C 1.822 178.438 176.600 0.028 0.000 0.982 397 E CA 1.241 57.661 56.400 0.034 0.000 0.809 397 E CB 0.085 29.814 29.700 0.050 0.000 0.756 397 E HN 0.323 nan 8.360 nan 0.000 0.459 398 A N 1.069 123.907 122.820 0.029 0.000 2.021 398 A HA 0.303 4.623 4.320 -0.000 0.000 0.216 398 A C 1.270 178.850 177.584 -0.007 0.000 1.163 398 A CA 0.565 52.618 52.037 0.027 0.000 0.676 398 A CB 0.108 19.148 19.000 0.066 0.000 0.818 398 A HN 0.209 nan 8.150 nan 0.000 0.453 399 A N 0.643 123.442 122.820 -0.035 0.000 2.304 399 A HA 0.544 4.864 4.320 -0.000 0.000 0.301 399 A C -0.102 177.474 177.584 -0.014 0.000 1.132 399 A CA -0.630 51.384 52.037 -0.038 0.000 0.819 399 A CB 0.297 19.256 19.000 -0.068 0.000 1.094 399 A HN 0.307 nan 8.150 nan 0.000 0.492 400 E N 1.200 121.396 120.200 -0.007 0.000 2.438 400 E HA 0.132 4.482 4.350 -0.000 0.000 0.261 400 E C -2.247 174.353 176.600 0.001 0.000 1.103 400 E CA -1.295 55.105 56.400 0.000 0.000 0.959 400 E CB -0.421 29.281 29.700 0.004 0.000 0.958 400 E HN 0.346 nan 8.360 nan 0.000 0.447 401 P HA 0.035 nan 4.420 nan 0.000 0.265 401 P C 0.557 177.864 177.300 0.011 0.000 1.193 401 P CA 0.796 63.901 63.100 0.009 0.000 0.765 401 P CB 0.340 32.047 31.700 0.011 0.000 0.823 402 G N 1.244 110.052 108.800 0.014 0.000 2.153 402 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 402 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 402 G C -0.050 174.859 174.900 0.015 0.000 0.994 402 G CA -0.031 45.079 45.100 0.017 0.000 0.698 402 G HN 0.582 nan 8.290 nan 0.000 0.521 403 E N -1.103 119.102 120.200 0.007 0.000 2.393 403 E HA 0.658 5.008 4.350 -0.000 0.000 0.265 403 E C 0.385 176.976 176.600 -0.015 0.000 0.941 403 E CA -0.484 55.918 56.400 0.003 0.000 0.801 403 E CB 2.047 31.747 29.700 0.001 0.000 1.313 403 E HN 1.538 nan 8.360 nan 0.000 0.435 404 G N 0.219 109.005 108.800 -0.023 0.000 2.675 404 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.686 404 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.686 404 G C -0.861 174.023 174.900 -0.027 0.000 1.215 404 G CA -0.665 44.395 45.100 -0.066 0.000 0.777 404 G HN 0.406 nan 8.290 nan 0.000 0.638 405 T N 1.199 115.727 114.554 -0.044 0.000 2.991 405 T HA 0.597 4.947 4.350 -0.000 0.000 0.303 405 T C 0.194 174.915 174.700 0.035 0.000 1.015 405 T CA -0.453 61.663 62.100 0.026 0.000 1.007 405 T CB 1.299 70.190 68.868 0.037 0.000 1.034 405 T HN 0.670 nan 8.240 nan 0.000 0.446 406 I N 3.065 123.710 120.570 0.125 0.000 2.336 406 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 406 I C -0.273 175.930 176.117 0.143 0.000 0.991 406 I CA -0.951 60.479 61.300 0.216 0.000 1.227 406 I CB 1.482 39.693 38.000 0.352 0.000 1.366 406 I HN 0.268 nan 8.210 nan 0.000 0.466 407 V N 4.870 124.852 119.914 0.113 0.000 2.547 407 V HA 0.454 4.574 4.120 -0.000 0.000 0.299 407 V C -0.051 176.092 176.094 0.082 0.000 1.040 407 V CA -0.455 61.850 62.300 0.008 0.000 0.913 407 V CB 1.877 33.719 31.823 0.031 0.000 0.992 407 V HN 0.765 nan 8.190 nan 0.000 0.449 408 S N 2.239 117.949 115.700 0.018 0.000 2.557 408 S HA 0.372 4.842 4.470 -0.000 0.000 0.291 408 S C -0.551 174.221 174.600 0.286 0.000 1.116 408 S CA -0.671 57.657 58.200 0.214 0.000 0.992 408 S CB 1.410 64.718 63.200 0.180 0.000 1.028 408 S HN 0.894 nan 8.310 nan 0.000 0.484 409 D N 2.145 122.825 120.400 0.465 0.000 2.376 409 D HA 0.263 4.903 4.640 -0.000 0.000 0.268 409 D C -0.109 176.392 176.300 0.335 0.000 1.252 409 D CA -0.126 54.169 54.000 0.492 0.000 1.041 409 D CB 0.474 41.595 40.800 0.536 0.000 1.109 409 D HN 0.443 nan 8.370 nan 0.000 0.552 410 I N -0.512 120.250 120.570 0.320 0.000 2.493 410 I HA 0.606 4.776 4.170 -0.000 0.000 0.298 410 I C 0.964 177.148 176.117 0.112 0.000 0.998 410 I CA -0.308 61.032 61.300 0.066 0.000 1.137 410 I CB 0.521 38.597 38.000 0.126 0.000 1.310 410 I HN 0.593 nan 8.210 nan 0.000 0.445 411 G N 3.817 112.507 108.800 -0.183 0.000 2.341 411 G HA2 0.089 4.049 3.960 -0.000 0.000 0.293 411 G HA3 0.089 4.049 3.960 -0.000 0.000 0.293 411 G C -0.377 174.440 174.900 -0.139 0.000 1.298 411 G CA -0.652 44.445 45.100 -0.004 0.000 0.868 411 G HN 0.305 nan 8.290 nan 0.000 0.540 412 F N 0.920 120.794 119.950 -0.126 0.000 2.134 412 F HA 0.044 4.571 4.527 -0.001 0.000 0.299 412 F C 2.572 178.343 175.800 -0.048 0.000 1.097 412 F CA 2.185 60.061 58.000 -0.206 0.000 1.264 412 F CB -0.587 38.162 39.000 -0.418 0.000 1.001 412 F HN 0.454 nan 8.300 nan 0.000 0.479 413 F N 0.161 120.163 119.950 0.085 0.000 2.250 413 F HA -0.083 4.444 4.527 -0.000 0.000 0.301 413 F C 2.337 178.208 175.800 0.120 0.000 1.077 413 F CA 1.380 59.423 58.000 0.071 0.000 1.348 413 F CB -1.270 37.810 39.000 0.135 0.000 1.040 413 F HN -0.126 nan 8.300 nan 0.000 0.509 414 R N 0.758 120.577 120.500 -1.134 0.000 2.105 414 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 414 R C 2.084 178.099 176.300 -0.475 0.000 1.135 414 R CA 2.104 57.742 56.100 -0.770 0.000 0.967 414 R CB -1.030 28.744 30.300 -0.877 0.000 0.861 414 R HN 0.501 nan 8.270 nan 0.000 0.442 415 H N -1.325 117.526 119.070 -0.366 0.000 2.495 415 H HA -0.085 4.471 4.556 -0.000 0.000 0.287 415 H C 1.639 176.790 175.328 -0.295 0.000 1.033 415 H CA 1.021 56.847 56.048 -0.370 0.000 1.307 415 H CB -0.041 29.443 29.762 -0.464 0.000 1.401 415 H HN 0.246 nan 8.280 nan 0.000 0.555 416 Y N 0.898 121.085 120.300 -0.188 0.000 2.200 416 Y HA -0.109 4.441 4.550 -0.000 0.000 0.290 416 Y C 2.879 178.758 175.900 -0.035 0.000 1.137 416 Y CA 1.099 59.188 58.100 -0.017 0.000 1.163 416 Y CB -0.699 37.923 38.460 0.270 0.000 0.988 416 Y HN 0.190 nan 8.280 nan 0.000 0.518 417 G N -0.398 108.486 108.800 0.139 0.000 2.469 417 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 417 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 417 G C 1.820 176.372 174.900 -0.579 0.000 1.150 417 G CA 1.546 46.629 45.100 -0.027 0.000 0.763 417 G HN 0.297 nan 8.290 nan 0.000 0.561 418 V N 0.769 120.388 119.914 -0.492 0.000 2.343 418 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 418 V C 2.882 178.693 176.094 -0.472 0.000 1.051 418 V CA 1.515 63.498 62.300 -0.528 0.000 1.036 418 V CB -0.336 31.225 31.823 -0.437 0.000 0.654 418 V HN 0.351 nan 8.190 nan 0.000 0.451 419 L N -1.893 118.996 121.223 -0.556 0.000 2.131 419 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 419 L C 2.095 178.578 176.870 -0.645 0.000 1.087 419 L CA 1.396 55.785 54.840 -0.750 0.000 0.767 419 L CB -0.283 40.966 42.059 -1.351 0.000 0.917 419 L HN 0.293 nan 8.230 nan 0.000 0.441 420 F N -0.590 119.258 119.950 -0.170 0.000 2.680 420 F HA 0.350 4.877 4.527 -0.000 0.000 0.290 420 F C 1.375 177.117 175.800 -0.096 0.000 1.114 420 F CA -0.829 57.120 58.000 -0.085 0.000 1.333 420 F CB -0.485 38.534 39.000 0.032 0.000 1.091 420 F HN -0.214 nan 8.300 nan 0.000 0.606 421 A N 1.802 124.582 122.820 -0.066 0.000 2.440 421 A HA 0.307 4.627 4.320 -0.000 0.000 0.251 421 A C 0.710 178.259 177.584 -0.059 0.000 1.089 421 A CA -0.410 51.587 52.037 -0.066 0.000 0.779 421 A CB 0.016 18.892 19.000 -0.206 0.000 1.022 421 A HN 0.322 nan 8.150 nan 0.000 0.492 422 R N 1.748 122.275 120.500 0.045 0.000 2.537 422 R HA 0.407 4.747 4.340 -0.000 0.000 0.280 422 R C -0.433 175.914 176.300 0.078 0.000 1.058 422 R CA 0.654 56.784 56.100 0.051 0.000 1.057 422 R CB 0.292 30.628 30.300 0.060 0.000 0.973 422 R HN 0.853 nan 8.270 nan 0.000 0.438 423 A N 4.076 126.937 122.820 0.068 0.000 2.499 423 A HA 0.200 4.520 4.320 -0.000 0.000 0.280 423 A C -0.890 176.733 177.584 0.064 0.000 1.135 423 A CA -0.735 51.363 52.037 0.102 0.000 0.744 423 A CB 1.473 20.554 19.000 0.135 0.000 1.213 423 A HN 0.847 nan 8.150 nan 0.000 0.434 424 D N 1.422 121.854 120.400 0.054 0.000 2.402 424 D HA 0.159 4.799 4.640 -0.000 0.000 0.216 424 D C 0.487 176.806 176.300 0.031 0.000 1.128 424 D CA 0.746 54.769 54.000 0.038 0.000 0.833 424 D CB 0.296 41.113 40.800 0.029 0.000 0.971 424 D HN 0.768 nan 8.370 nan 0.000 0.503 425 Q N -1.615 118.205 119.800 0.034 0.000 2.630 425 Q HA 0.517 4.857 4.340 -0.000 0.000 0.295 425 Q C -3.027 172.966 176.000 -0.011 0.000 0.944 425 Q CA -2.092 53.718 55.803 0.012 0.000 0.766 425 Q CB 1.270 30.021 28.738 0.022 0.000 1.471 425 Q HN -0.262 nan 8.270 nan 0.000 0.416 426 P HA 0.056 nan 4.420 nan 0.000 0.265 426 P C -0.840 176.353 177.300 -0.178 0.000 1.193 426 P CA 0.388 63.324 63.100 -0.272 0.000 0.765 426 P CB -0.088 31.360 31.700 -0.418 0.000 0.823 427 F N 0.899 120.888 119.950 0.067 0.000 3.084 427 F HA -0.183 4.344 4.527 -0.000 0.000 0.286 427 F C 1.625 177.464 175.800 0.066 0.000 0.855 427 F CA 1.155 59.191 58.000 0.061 0.000 1.091 427 F CB -2.644 36.377 39.000 0.035 0.000 1.177 427 F HN 0.486 nan 8.300 nan 0.000 0.542 428 G N -1.320 107.608 108.800 0.213 0.000 2.572 428 G HA2 0.098 4.057 3.960 -0.000 0.000 0.216 428 G HA3 0.098 4.057 3.960 -0.000 0.000 0.216 428 G C 0.114 175.163 174.900 0.250 0.000 1.133 428 G CA 0.543 45.748 45.100 0.176 0.000 0.791 428 G HN 0.339 nan 8.290 nan 0.000 0.538 429 F N 0.508 120.535 119.950 0.129 0.000 2.460 429 F HA 0.707 5.233 4.527 -0.001 0.000 0.341 429 F C -1.352 174.552 175.800 0.172 0.000 1.130 429 F CA -1.713 56.365 58.000 0.130 0.000 0.962 429 F CB 1.777 40.840 39.000 0.105 0.000 1.171 429 F HN -0.190 nan 8.300 nan 0.000 0.436 430 L N 5.825 126.785 121.223 -0.438 0.000 2.325 430 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 430 L C -0.316 176.330 176.870 -0.372 0.000 1.004 430 L CA 0.088 54.782 54.840 -0.244 0.000 0.823 430 L CB 1.818 43.835 42.059 -0.071 0.000 1.236 430 L HN 0.780 nan 8.230 nan 0.000 0.415 431 T N 1.345 115.766 114.554 -0.221 0.000 2.762 431 T HA 0.398 4.748 4.350 -0.000 0.000 0.301 431 T C -1.241 173.271 174.700 -0.314 0.000 1.299 431 T CA -0.498 61.500 62.100 -0.170 0.000 1.005 431 T CB 1.727 70.417 68.868 -0.296 0.000 1.377 431 T HN 0.374 nan 8.240 nan 0.000 0.504 432 S N 1.125 116.342 115.700 -0.804 0.000 2.411 432 S HA 0.594 5.064 4.470 -0.000 0.000 0.294 432 S C 0.978 175.426 174.600 -0.253 0.000 1.115 432 S CA 0.013 57.772 58.200 -0.734 0.000 1.071 432 S CB 0.174 62.702 63.200 -1.120 0.000 0.967 432 S HN 0.805 nan 8.310 nan 0.000 0.488 433 A N 4.571 127.323 122.820 -0.113 0.000 1.956 433 A HA 0.328 4.648 4.320 -0.000 0.000 0.212 433 A C 1.906 179.440 177.584 -0.084 0.000 1.188 433 A CA 0.919 52.938 52.037 -0.030 0.000 0.675 433 A CB -0.903 18.023 19.000 -0.123 0.000 0.845 433 A HN 0.845 nan 8.150 nan 0.000 0.455 434 G N -1.527 107.213 108.800 -0.101 0.000 2.441 434 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.212 434 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.212 434 G C 1.625 176.484 174.900 -0.069 0.000 1.164 434 G CA 1.181 46.226 45.100 -0.092 0.000 0.811 434 G HN 0.526 nan 8.290 nan 0.000 0.535 435 C N -0.053 119.208 119.300 -0.065 0.000 2.541 435 C HA 0.374 4.834 4.460 -0.000 0.000 0.284 435 C C 1.746 176.712 174.990 -0.040 0.000 1.341 435 C CA 1.240 60.236 59.018 -0.037 0.000 1.732 435 C CB -0.490 27.251 27.740 0.002 0.000 2.126 435 C HN 0.468 nan 8.230 nan 0.000 0.505 436 S N 1.398 117.052 115.700 -0.078 0.000 3.631 436 S HA -0.165 4.305 4.470 -0.000 0.000 0.366 436 S C 0.101 174.703 174.600 0.005 0.000 0.993 436 S CA 0.703 58.864 58.200 -0.066 0.000 1.167 436 S CB -1.887 61.298 63.200 -0.025 0.000 0.909 436 S HN 0.896 nan 8.310 nan 0.000 0.478 437 S N 2.073 117.821 115.700 0.081 0.000 2.531 437 S HA 0.512 4.982 4.470 -0.000 0.000 0.279 437 S C 0.636 175.432 174.600 0.326 0.000 1.305 437 S CA -0.785 57.505 58.200 0.149 0.000 1.058 437 S CB -0.030 63.283 63.200 0.188 0.000 0.899 437 S HN 0.533 nan 8.310 nan 0.000 0.493 438 F N 3.498 123.482 119.950 0.056 0.000 2.539 438 F HA 0.526 5.053 4.527 -0.000 0.000 0.340 438 F C 1.301 177.178 175.800 0.128 0.000 1.185 438 F CA -0.961 57.110 58.000 0.120 0.000 1.333 438 F CB -1.200 37.870 39.000 0.116 0.000 1.152 438 F HN 0.855 nan 8.300 nan 0.000 0.602 439 G N 1.725 110.676 108.800 0.251 0.000 2.179 439 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.260 439 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.260 439 G C 0.683 175.858 174.900 0.459 0.000 0.977 439 G CA 0.444 45.662 45.100 0.197 0.000 0.641 439 G HN 1.073 nan 8.290 nan 0.000 0.533 440 Y N 1.525 122.047 120.300 0.370 0.000 2.274 440 Y HA 0.086 4.636 4.550 -0.000 0.000 0.290 440 Y C 2.486 178.427 175.900 0.068 0.000 1.145 440 Y CA 2.473 60.704 58.100 0.219 0.000 1.203 440 Y CB -0.450 38.128 38.460 0.196 0.000 0.984 440 Y HN 0.228 nan 8.280 nan 0.000 0.533 441 G N 0.794 109.703 108.800 0.182 0.000 2.459 441 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.217 441 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.217 441 G C 1.740 176.617 174.900 -0.037 0.000 1.183 441 G CA 1.454 46.612 45.100 0.097 0.000 0.776 441 G HN 0.487 nan 8.290 nan 0.000 0.552 442 I N 1.886 122.445 120.570 -0.018 0.000 2.142 442 I HA -0.117 4.053 4.170 -0.000 0.000 0.240 442 I C 0.076 176.103 176.117 -0.150 0.000 1.078 442 I CA 1.262 62.533 61.300 -0.050 0.000 1.343 442 I CB -0.881 37.077 38.000 -0.070 0.000 1.046 442 I HN 0.196 nan 8.210 nan 0.000 0.405 443 P HA -0.163 nan 4.420 nan 0.000 0.218 443 P C 1.354 178.396 177.300 -0.430 0.000 1.149 443 P CA 1.925 64.813 63.100 -0.352 0.000 0.817 443 P CB -0.046 31.361 31.700 -0.489 0.000 0.785 444 A N 0.523 123.006 122.820 -0.562 0.000 1.898 444 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 444 A C 2.477 179.891 177.584 -0.284 0.000 1.181 444 A CA 1.995 53.688 52.037 -0.574 0.000 0.620 444 A CB -1.495 16.956 19.000 -0.915 0.000 0.819 444 A HN 0.217 nan 8.150 nan 0.000 0.442 445 A N -0.110 122.601 122.820 -0.183 0.000 1.933 445 A HA -0.054 4.265 4.320 -0.000 0.000 0.218 445 A C 2.106 179.653 177.584 -0.061 0.000 1.175 445 A CA 1.432 53.427 52.037 -0.070 0.000 0.628 445 A CB -0.567 18.433 19.000 -0.000 0.000 0.814 445 A HN 0.490 nan 8.150 nan 0.000 0.444 446 I N -0.359 120.156 120.570 -0.091 0.000 2.142 446 I HA -0.227 3.942 4.170 -0.000 0.000 0.240 446 I C 2.758 178.840 176.117 -0.058 0.000 1.078 446 I CA 1.325 62.592 61.300 -0.054 0.000 1.343 446 I CB -0.657 37.307 38.000 -0.060 0.000 1.046 446 I HN 0.395 nan 8.210 nan 0.000 0.405 447 G N 0.211 108.914 108.800 -0.160 0.000 2.440 447 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 447 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 447 G C 1.816 176.666 174.900 -0.084 0.000 1.154 447 G CA 0.880 45.885 45.100 -0.158 0.000 0.767 447 G HN 0.513 nan 8.290 nan 0.000 0.552 448 A N -0.220 122.547 122.820 -0.088 0.000 1.898 448 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 448 A C 1.754 179.336 177.584 -0.004 0.000 1.181 448 A CA 1.755 53.766 52.037 -0.043 0.000 0.620 448 A CB -0.337 18.640 19.000 -0.037 0.000 0.819 448 A HN 0.459 nan 8.150 nan 0.000 0.442 452 R N 0.811 121.328 120.500 0.028 0.000 2.748 452 R HA 0.294 4.634 4.340 -0.000 0.000 0.283 452 R C -2.197 174.119 176.300 0.026 0.000 1.507 452 R CA -1.524 54.593 56.100 0.029 0.000 1.666 452 R CB 1.199 31.518 30.300 0.031 0.000 1.237 452 R HN 0.256 nan 8.270 nan 0.000 0.633 453 P HA -0.155 nan 4.420 nan 0.000 0.219 453 P C -0.032 177.283 177.300 0.025 0.000 1.146 453 P CA 1.304 64.419 63.100 0.025 0.000 0.808 453 P CB 0.385 32.098 31.700 0.022 0.000 0.779 454 D N -1.288 119.126 120.400 0.022 0.000 2.395 454 D HA 0.089 4.728 4.640 -0.000 0.000 0.213 454 D C 0.616 176.926 176.300 0.018 0.000 1.110 454 D CA 0.168 54.180 54.000 0.020 0.000 0.835 454 D CB 0.511 41.322 40.800 0.017 0.000 0.965 454 D HN 0.358 nan 8.370 nan 0.000 0.505 455 Q N 1.230 121.040 119.800 0.017 0.000 2.235 455 Q HA 0.389 4.728 4.340 -0.000 0.000 0.256 455 Q C -2.536 173.466 176.000 0.003 0.000 0.951 455 Q CA -1.931 53.875 55.803 0.005 0.000 0.890 455 Q CB 1.597 30.337 28.738 0.003 0.000 1.279 455 Q HN -0.117 nan 8.270 nan 0.000 0.444 456 P HA 0.068 nan 4.420 nan 0.000 0.271 456 P C -1.059 176.199 177.300 -0.070 0.000 1.216 456 P CA -0.045 63.034 63.100 -0.034 0.000 0.771 456 P CB 0.688 32.305 31.700 -0.139 0.000 0.864 457 T N 4.092 118.690 114.554 0.073 0.000 2.833 457 T HA 0.502 4.851 4.350 -0.000 0.000 0.297 457 T C -0.692 174.234 174.700 0.377 0.000 1.015 457 T CA -0.183 61.988 62.100 0.119 0.000 0.963 457 T CB -0.018 68.911 68.868 0.101 0.000 0.955 457 T HN 0.052 nan 8.240 nan 0.000 0.449 458 F N 2.826 122.815 119.950 0.065 0.000 2.450 458 F HA 0.726 5.253 4.527 -0.000 0.000 0.332 458 F C -0.086 175.755 175.800 0.067 0.000 1.093 458 F CA -2.181 55.860 58.000 0.068 0.000 1.003 458 F CB 1.522 40.571 39.000 0.080 0.000 1.151 458 F HN 0.312 nan 8.300 nan 0.000 0.474 459 L N 4.834 126.191 121.223 0.223 0.000 2.365 459 L HA 0.695 5.034 4.340 -0.000 0.000 0.273 459 L C -1.376 175.547 176.870 0.089 0.000 1.000 459 L CA -0.550 54.377 54.840 0.146 0.000 0.819 459 L CB 1.719 43.842 42.059 0.108 0.000 1.284 459 L HN 0.584 nan 8.230 nan 0.000 0.418 460 I N 4.501 125.148 120.570 0.128 0.000 2.465 460 I HA 0.873 5.043 4.170 -0.000 0.000 0.291 460 I C -1.063 175.054 176.117 -0.000 0.000 1.014 460 I CA -0.312 61.007 61.300 0.033 0.000 1.093 460 I CB 1.554 39.639 38.000 0.142 0.000 1.267 460 I HN 0.911 nan 8.210 nan 0.000 0.431 461 A N 4.972 127.586 122.820 -0.343 0.000 2.515 461 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 461 A C -0.462 176.609 177.584 -0.855 0.000 1.059 461 A CA -0.364 51.434 52.037 -0.399 0.000 0.698 461 A CB 1.382 20.401 19.000 0.032 0.000 1.289 461 A HN 0.835 nan 8.150 nan 0.000 0.404 462 G N 0.021 108.278 108.800 -0.905 0.000 2.562 462 G HA2 0.421 4.381 3.960 -0.000 0.000 0.275 462 G HA3 0.421 4.381 3.960 -0.000 0.000 0.275 462 G C 0.515 175.324 174.900 -0.152 0.000 1.196 462 G CA 0.328 45.150 45.100 -0.463 0.000 0.908 462 G HN 0.820 nan 8.290 nan 0.000 0.524 463 D N 0.046 120.394 120.400 -0.088 0.000 2.144 463 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 463 D C 2.152 178.535 176.300 0.137 0.000 0.984 463 D CA 1.309 55.276 54.000 -0.054 0.000 0.834 463 D CB -0.731 40.147 40.800 0.129 0.000 0.955 463 D HN 0.468 nan 8.370 nan 0.000 0.465 464 G N 1.029 109.999 108.800 0.283 0.000 2.480 464 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.216 464 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.216 464 G C 1.791 176.789 174.900 0.164 0.000 1.200 464 G CA 1.304 46.618 45.100 0.356 0.000 0.782 464 G HN 0.476 nan 8.290 nan 0.000 0.554 465 G N -0.178 108.772 108.800 0.250 0.000 2.421 465 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.217 465 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.217 465 G C 1.624 176.491 174.900 -0.055 0.000 1.143 465 G CA 0.761 45.893 45.100 0.053 0.000 0.784 465 G HN 0.335 nan 8.290 nan 0.000 0.541 466 F N 0.870 120.775 119.950 -0.074 0.000 2.102 466 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 466 F C 2.383 178.168 175.800 -0.024 0.000 1.105 466 F CA 1.746 59.689 58.000 -0.096 0.000 1.239 466 F CB -0.174 38.675 39.000 -0.252 0.000 0.991 466 F HN 0.251 nan 8.300 nan 0.000 0.474 467 H N -0.271 118.768 119.070 -0.052 0.000 2.529 467 H HA 0.005 4.561 4.556 -0.000 0.000 0.277 467 H C 2.424 177.572 175.328 -0.301 0.000 0.999 467 H CA 0.982 56.971 56.048 -0.098 0.000 1.256 467 H CB -0.351 29.431 29.762 0.033 0.000 1.402 467 H HN 0.336 nan 8.280 nan 0.000 0.566 468 S N -0.914 114.522 115.700 -0.440 0.000 2.442 468 S HA -0.144 4.326 4.470 -0.000 0.000 0.236 468 S C 1.367 175.657 174.600 -0.515 0.000 1.007 468 S CA 1.462 59.265 58.200 -0.662 0.000 0.965 468 S CB -0.024 62.296 63.200 -1.467 0.000 0.773 468 S HN 0.414 nan 8.310 nan 0.000 0.504 469 N N 0.094 118.530 118.700 -0.441 0.000 2.545 469 N HA 0.214 4.954 4.740 -0.000 0.000 0.283 469 N C 0.651 175.920 175.510 -0.401 0.000 1.596 469 N CA 0.534 53.383 53.050 -0.337 0.000 0.862 469 N CB 0.621 39.018 38.487 -0.150 0.000 1.422 469 N HN 0.356 nan 8.380 nan 0.000 0.489 470 S N -2.172 113.249 115.700 -0.465 0.000 2.522 470 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 470 S C 1.609 176.065 174.600 -0.239 0.000 0.986 470 S CA 0.457 58.346 58.200 -0.518 0.000 0.929 470 S CB -0.013 63.054 63.200 -0.221 0.000 0.769 470 S HN 0.128 nan 8.310 nan 0.000 0.529 471 S N 2.138 117.728 115.700 -0.184 0.000 2.447 471 S HA -0.040 4.430 4.470 -0.000 0.000 0.233 471 S C 1.158 175.726 174.600 -0.054 0.000 1.006 471 S CA 0.870 59.016 58.200 -0.090 0.000 0.957 471 S CB -0.366 62.788 63.200 -0.076 0.000 0.773 471 S HN 0.550 nan 8.310 nan 0.000 0.507 472 D N 1.192 121.547 120.400 -0.076 0.000 2.352 472 D HA 0.094 4.734 4.640 -0.000 0.000 0.232 472 D C 1.437 177.723 176.300 -0.024 0.000 1.055 472 D CA 0.110 54.087 54.000 -0.038 0.000 0.891 472 D CB -0.022 40.755 40.800 -0.039 0.000 0.897 472 D HN 0.356 nan 8.370 nan 0.000 0.529 473 L N 0.679 121.889 121.223 -0.022 0.000 2.079 473 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 473 L C 2.541 179.433 176.870 0.037 0.000 1.081 473 L CA 1.054 55.916 54.840 0.037 0.000 0.752 473 L CB -0.183 41.925 42.059 0.081 0.000 0.896 473 L HN -0.003 nan 8.230 nan 0.000 0.433 474 E N -0.193 120.022 120.200 0.025 0.000 2.110 474 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 474 E C 1.952 178.569 176.600 0.027 0.000 0.988 474 E CA 1.797 58.213 56.400 0.027 0.000 0.804 474 E CB 0.054 29.768 29.700 0.023 0.000 0.745 474 E HN 0.430 nan 8.360 nan 0.000 0.458 475 T N 1.403 115.971 114.554 0.023 0.000 2.746 475 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 475 T C 2.047 176.764 174.700 0.027 0.000 1.039 475 T CA 1.133 63.247 62.100 0.024 0.000 1.142 475 T CB -0.132 68.749 68.868 0.022 0.000 0.866 475 T HN 0.183 nan 8.240 nan 0.000 0.444 476 I N 1.255 121.843 120.570 0.030 0.000 2.226 476 I HA -0.188 3.981 4.170 -0.000 0.000 0.245 476 I C 2.896 179.039 176.117 0.043 0.000 1.100 476 I CA 1.082 62.405 61.300 0.039 0.000 1.374 476 I CB -0.449 37.582 38.000 0.050 0.000 1.057 476 I HN 0.202 nan 8.210 nan 0.000 0.413 477 A N 0.619 123.465 122.820 0.043 0.000 1.902 477 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 477 A C 2.420 180.024 177.584 0.033 0.000 1.181 477 A CA 1.747 53.809 52.037 0.042 0.000 0.623 477 A CB -0.574 18.451 19.000 0.041 0.000 0.818 477 A HN 0.329 nan 8.150 nan 0.000 0.443 478 R N -0.484 120.033 120.500 0.028 0.000 2.073 478 R HA 0.074 4.414 4.340 -0.000 0.000 0.229 478 R C 1.711 178.021 176.300 0.018 0.000 1.120 478 R CA 1.158 57.271 56.100 0.022 0.000 0.967 478 R CB -0.293 30.019 30.300 0.021 0.000 0.862 478 R HN 0.506 nan 8.270 nan 0.000 0.436 479 L N 0.555 121.789 121.223 0.018 0.000 2.478 479 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 479 L C 0.399 177.281 176.870 0.020 0.000 1.140 479 L CA 0.119 54.967 54.840 0.013 0.000 0.842 479 L CB -0.412 41.656 42.059 0.014 0.000 0.953 479 L HN 0.342 nan 8.230 nan 0.000 0.452 480 N N 0.968 119.684 118.700 0.027 0.000 2.725 480 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 480 N C -0.582 174.950 175.510 0.037 0.000 1.031 480 N CA 0.421 53.490 53.050 0.033 0.000 0.720 480 N CB -1.238 37.265 38.487 0.027 0.000 0.930 480 N HN 0.255 nan 8.380 nan 0.000 0.543 481 L N 0.682 121.931 121.223 0.042 0.000 2.278 481 L HA 0.340 4.680 4.340 -0.000 0.000 0.287 481 L C -1.314 175.594 176.870 0.063 0.000 1.072 481 L CA -1.626 53.242 54.840 0.048 0.000 0.819 481 L CB 0.904 42.990 42.059 0.046 0.000 1.176 481 L HN 0.083 nan 8.230 nan 0.000 0.435 482 P HA 0.115 nan 4.420 nan 0.000 0.237 482 P C 0.019 177.389 177.300 0.117 0.000 1.723 482 P CA -0.018 63.133 63.100 0.085 0.000 0.882 482 P CB -0.330 31.413 31.700 0.073 0.000 1.810 483 I N 0.148 120.786 120.570 0.114 0.000 2.588 483 I HA 0.029 4.199 4.170 -0.000 0.000 0.283 483 I C 0.667 176.867 176.117 0.138 0.000 1.119 483 I CA -0.257 61.125 61.300 0.138 0.000 1.419 483 I CB 0.905 38.968 38.000 0.105 0.000 1.394 483 I HN -0.137 nan 8.210 nan 0.000 0.562 484 V N 5.600 125.604 119.914 0.149 0.000 2.370 484 V HA 0.310 4.430 4.120 -0.000 0.000 0.279 484 V C 0.156 176.219 176.094 -0.053 0.000 1.029 484 V CA -0.407 61.900 62.300 0.012 0.000 0.870 484 V CB 1.265 32.945 31.823 -0.238 0.000 0.984 484 V HN 0.741 nan 8.190 nan 0.000 0.451 485 T N 4.508 119.008 114.554 -0.089 0.000 2.823 485 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 485 T C -0.395 174.150 174.700 -0.259 0.000 0.998 485 T CA -0.391 61.625 62.100 -0.140 0.000 0.994 485 T CB 1.770 70.563 68.868 -0.124 0.000 0.960 485 T HN 0.336 nan 8.240 nan 0.000 0.448 486 V N 3.855 123.609 119.914 -0.267 0.000 2.378 486 V HA 0.370 4.490 4.120 -0.000 0.000 0.288 486 V C -0.209 175.623 176.094 -0.436 0.000 1.016 486 V CA -0.770 61.343 62.300 -0.311 0.000 0.840 486 V CB 1.709 33.404 31.823 -0.214 0.000 0.994 486 V HN 0.713 nan 8.190 nan 0.000 0.431 487 V N 6.227 125.806 119.914 -0.559 0.000 2.348 487 V HA 0.266 4.386 4.120 -0.000 0.000 0.270 487 V C 0.151 175.930 176.094 -0.526 0.000 1.037 487 V CA -0.575 61.289 62.300 -0.727 0.000 0.872 487 V CB 1.655 32.813 31.823 -1.108 0.000 1.002 487 V HN 0.729 nan 8.190 nan 0.000 0.464 488 V N 2.540 122.158 119.914 -0.493 0.000 2.389 488 V HA 0.541 4.661 4.120 -0.000 0.000 0.264 488 V C 0.007 175.928 176.094 -0.289 0.000 1.049 488 V CA -0.378 61.706 62.300 -0.360 0.000 0.932 488 V CB 1.000 32.621 31.823 -0.335 0.000 1.011 488 V HN 0.739 nan 8.190 nan 0.000 0.475 489 N N 4.917 123.495 118.700 -0.204 0.000 2.446 489 N HA 0.399 5.139 4.740 -0.000 0.000 0.265 489 N C 0.110 175.605 175.510 -0.026 0.000 0.975 489 N CA -0.458 52.547 53.050 -0.076 0.000 0.928 489 N CB 1.515 40.004 38.487 0.003 0.000 1.160 489 N HN 0.900 nan 8.380 nan 0.000 0.495 490 N N 2.195 120.929 118.700 0.057 0.000 2.299 490 N HA 0.070 4.810 4.740 -0.000 0.000 0.246 490 N C -1.065 174.534 175.510 0.148 0.000 1.254 490 N CA -0.218 52.870 53.050 0.065 0.000 0.879 490 N CB -0.009 38.500 38.487 0.037 0.000 1.214 490 N HN 0.450 nan 8.380 nan 0.000 0.510 491 D N 0.058 120.589 120.400 0.218 0.000 2.751 491 D HA -0.145 4.495 4.640 -0.000 0.000 0.233 491 D C -0.911 175.591 176.300 0.336 0.000 1.149 491 D CA 1.224 55.410 54.000 0.310 0.000 0.682 491 D CB -1.678 39.233 40.800 0.185 0.000 1.068 491 D HN 0.452 nan 8.370 nan 0.000 0.429 492 T N 0.155 114.936 114.554 0.378 0.000 2.932 492 T HA 0.212 4.562 4.350 -0.000 0.000 0.318 492 T C -0.143 174.737 174.700 0.300 0.000 1.265 492 T CA -0.827 61.365 62.100 0.153 0.000 1.036 492 T CB 1.534 70.497 68.868 0.157 0.000 1.209 492 T HN -0.154 nan 8.240 nan 0.000 0.484 493 N N 1.750 120.515 118.700 0.108 0.000 2.739 493 N HA 0.233 4.973 4.740 -0.000 0.000 0.266 493 N C 1.434 177.055 175.510 0.185 0.000 1.168 493 N CA -0.058 53.139 53.050 0.245 0.000 1.055 493 N CB 0.767 39.355 38.487 0.168 0.000 1.393 493 N HN 0.886 nan 8.380 nan 0.000 0.514 494 G N 1.629 110.591 108.800 0.269 0.000 2.418 494 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 494 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 494 G C 1.442 176.348 174.900 0.009 0.000 1.158 494 G CA 0.113 45.360 45.100 0.245 0.000 0.771 494 G HN 0.490 nan 8.290 nan 0.000 0.545 495 L N 0.369 121.592 121.223 0.000 0.000 2.081 495 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 495 L C 2.642 179.475 176.870 -0.062 0.000 1.080 495 L CA 1.258 56.027 54.840 -0.118 0.000 0.754 495 L CB -0.234 41.866 42.059 0.068 0.000 0.893 495 L HN 0.151 nan 8.230 nan 0.000 0.433 496 I N -0.469 120.117 120.570 0.027 0.000 2.406 496 I HA -0.227 3.943 4.170 -0.000 0.000 0.249 496 I C 2.389 178.504 176.117 -0.002 0.000 1.122 496 I CA 1.012 62.341 61.300 0.049 0.000 1.431 496 I CB -1.280 36.739 38.000 0.032 0.000 1.087 496 I HN 0.350 nan 8.210 nan 0.000 0.424 497 E N 1.287 121.476 120.200 -0.018 0.000 2.118 497 E HA -0.215 4.134 4.350 -0.000 0.000 0.195 497 E C 2.409 178.886 176.600 -0.204 0.000 0.992 497 E CA 0.850 57.255 56.400 0.008 0.000 0.804 497 E CB 0.048 29.859 29.700 0.184 0.000 0.741 497 E HN 0.386 nan 8.360 nan 0.000 0.458 498 L N 0.034 120.872 121.223 -0.641 0.000 1.989 498 L HA -0.237 4.102 4.340 -0.000 0.000 0.211 498 L C 2.122 178.569 176.870 -0.705 0.000 1.071 498 L CA 1.768 55.878 54.840 -1.217 0.000 0.749 498 L CB -0.458 40.615 42.059 -1.645 0.000 0.890 498 L HN 0.304 nan 8.230 nan 0.000 0.431 499 Y N 0.510 120.559 120.300 -0.418 0.000 2.256 499 Y HA -0.300 4.250 4.550 -0.000 0.000 0.288 499 Y C 2.851 178.654 175.900 -0.162 0.000 1.155 499 Y CA 1.602 59.542 58.100 -0.266 0.000 1.203 499 Y CB -0.420 37.925 38.460 -0.192 0.000 0.980 499 Y HN 0.348 nan 8.280 nan 0.000 0.530 500 Q N -0.194 119.626 119.800 0.033 0.000 2.061 500 Q HA -0.214 4.125 4.340 -0.000 0.000 0.204 500 Q C 1.912 177.956 176.000 0.074 0.000 0.984 500 Q CA 1.492 57.358 55.803 0.105 0.000 0.846 500 Q CB -0.258 28.530 28.738 0.084 0.000 0.902 500 Q HN 0.574 nan 8.270 nan 0.000 0.421 501 N N 0.372 119.056 118.700 -0.026 0.000 2.270 501 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 501 N C 1.865 177.303 175.510 -0.121 0.000 1.016 501 N CA 0.813 53.854 53.050 -0.015 0.000 0.870 501 N CB 0.030 38.550 38.487 0.055 0.000 0.979 501 N HN 0.253 nan 8.380 nan 0.000 0.431 502 I N 0.781 121.230 120.570 -0.201 0.000 2.226 502 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 502 I C 2.454 178.389 176.117 -0.303 0.000 1.100 502 I CA 1.239 62.406 61.300 -0.222 0.000 1.374 502 I CB -0.399 37.442 38.000 -0.266 0.000 1.057 502 I HN 0.131 nan 8.210 nan 0.000 0.413 503 G N -0.779 107.844 108.800 -0.296 0.000 2.408 503 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.215 503 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.215 503 G C 1.032 175.494 174.900 -0.729 0.000 1.156 503 G CA 0.521 45.320 45.100 -0.502 0.000 0.793 503 G HN 0.485 nan 8.290 nan 0.000 0.535 504 H N -1.993 116.917 119.070 -0.268 0.000 3.233 504 H HA 0.249 4.805 4.556 -0.000 0.000 0.263 504 H C 0.414 175.670 175.328 -0.120 0.000 1.168 504 H CA -0.326 55.608 56.048 -0.190 0.000 1.159 504 H CB 0.431 30.152 29.762 -0.068 0.000 1.593 504 H HN 0.303 nan 8.280 nan 0.000 0.580 505 H N 0.288 119.422 119.070 0.107 0.000 2.899 505 H HA -0.165 4.390 4.556 -0.000 0.000 0.282 505 H C 0.153 175.539 175.328 0.097 0.000 1.198 505 H CA 1.296 57.394 56.048 0.085 0.000 1.140 505 H CB -1.379 28.421 29.762 0.065 0.000 1.317 505 H HN 0.643 nan 8.280 nan 0.000 0.375 506 R N -1.706 118.899 120.500 0.176 0.000 2.728 506 R HA 0.648 4.988 4.340 -0.000 0.000 0.274 506 R C -1.198 175.174 176.300 0.119 0.000 1.030 506 R CA -0.687 55.498 56.100 0.141 0.000 0.876 506 R CB 1.094 31.465 30.300 0.119 0.000 1.259 506 R HN -0.030 nan 8.270 nan 0.000 0.468 507 S N -0.339 115.427 115.700 0.111 0.000 2.713 507 S HA 0.392 4.862 4.470 -0.000 0.000 0.283 507 S C -1.088 173.587 174.600 0.125 0.000 1.161 507 S CA -0.490 57.773 58.200 0.105 0.000 0.999 507 S CB 0.750 64.006 63.200 0.094 0.000 1.039 507 S HN 0.639 nan 8.310 nan 0.000 0.548 508 H N 0.324 119.388 119.070 -0.010 0.000 3.177 508 H HA 0.328 4.883 4.556 -0.000 0.000 0.314 508 H C -0.360 174.951 175.328 -0.028 0.000 1.059 508 H CA -0.509 55.522 56.048 -0.028 0.000 1.515 508 H CB 0.386 30.114 29.762 -0.056 0.000 1.672 508 H HN 0.439 nan 8.280 nan 0.000 0.514 509 D N 4.688 124.910 120.400 -0.297 0.000 2.117 509 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 509 D C -0.797 175.356 176.300 -0.246 0.000 0.987 509 D CA 0.758 54.627 54.000 -0.219 0.000 0.829 509 D CB -0.869 39.829 40.800 -0.170 0.000 0.961 509 D HN 0.535 nan 8.370 nan 0.000 0.460 510 P HA -0.092 nan 4.420 nan 0.000 0.220 510 P C 0.790 178.050 177.300 -0.066 0.000 1.144 510 P CA 1.546 64.533 63.100 -0.188 0.000 0.800 510 P CB 0.033 31.622 31.700 -0.185 0.000 0.772 511 A N -1.382 121.425 122.820 -0.022 0.000 2.238 511 A HA 0.142 4.462 4.320 -0.000 0.000 0.210 511 A C 1.624 179.173 177.584 -0.057 0.000 1.179 511 A CA 0.986 53.032 52.037 0.016 0.000 0.827 511 A CB -0.408 18.648 19.000 0.093 0.000 0.856 511 A HN 0.198 nan 8.150 nan 0.000 0.488 512 V N -5.732 114.102 119.914 -0.132 0.000 3.380 512 V HA 0.360 4.480 4.120 -0.000 0.000 0.277 512 V C -0.132 175.693 176.094 -0.448 0.000 1.590 512 V CA -0.354 61.816 62.300 -0.217 0.000 1.019 512 V CB -0.076 31.694 31.823 -0.090 0.000 0.828 512 V HN 0.069 nan 8.190 nan 0.000 0.427 513 K N 1.436 121.607 120.400 -0.382 0.000 2.159 513 K HA 0.659 4.978 4.320 -0.000 0.000 0.266 513 K C -1.290 175.077 176.600 -0.387 0.000 0.975 513 K CA -0.291 55.784 56.287 -0.353 0.000 0.865 513 K CB 1.925 34.339 32.500 -0.143 0.000 1.087 513 K HN 0.278 nan 8.250 nan 0.000 0.446 514 F N -0.600 119.390 119.950 0.066 0.000 2.541 514 F HA 0.480 5.007 4.527 -0.001 0.000 0.331 514 F C 1.358 177.177 175.800 0.033 0.000 1.057 514 F CA -0.792 57.244 58.000 0.059 0.000 0.975 514 F CB 0.705 39.756 39.000 0.085 0.000 1.246 514 F HN 0.574 nan 8.300 nan 0.000 0.484 515 G N -0.568 108.372 108.800 0.233 0.000 2.508 515 G HA2 0.466 4.426 3.960 -0.000 0.000 0.278 515 G HA3 0.466 4.426 3.960 -0.000 0.000 0.278 515 G C -0.219 174.727 174.900 0.077 0.000 1.389 515 G CA -0.539 44.628 45.100 0.113 0.000 1.050 515 G HN 0.882 nan 8.290 nan 0.000 0.522 516 G N -1.565 107.239 108.800 0.007 0.000 2.370 516 G HA2 0.462 4.421 3.960 -0.000 0.000 0.272 516 G HA3 0.462 4.421 3.960 -0.000 0.000 0.272 516 G C -0.754 174.054 174.900 -0.153 0.000 1.208 516 G CA -0.113 44.958 45.100 -0.048 0.000 0.856 516 G HN 0.541 nan 8.290 nan 0.000 0.500 517 V N 2.672 122.414 119.914 -0.286 0.000 2.555 517 V HA 0.274 4.394 4.120 -0.000 0.000 0.302 517 V C -0.723 175.013 176.094 -0.597 0.000 1.038 517 V CA -0.863 61.085 62.300 -0.587 0.000 0.887 517 V CB 2.020 33.166 31.823 -1.127 0.000 0.991 517 V HN 0.768 nan 8.190 nan 0.000 0.434 518 D N 3.031 123.147 120.400 -0.474 0.000 2.456 518 D HA 0.303 4.943 4.640 -0.000 0.000 0.219 518 D C 0.503 176.590 176.300 -0.354 0.000 1.126 518 D CA -0.289 53.529 54.000 -0.305 0.000 0.890 518 D CB 0.704 41.401 40.800 -0.172 0.000 1.025 518 D HN 0.325 nan 8.370 nan 0.000 0.511 519 F N 2.135 122.004 119.950 -0.135 0.000 2.234 519 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 519 F C 2.376 178.104 175.800 -0.119 0.000 1.087 519 F CA 0.296 58.219 58.000 -0.127 0.000 1.340 519 F CB -0.296 38.588 39.000 -0.193 0.000 1.031 519 F HN 0.279 nan 8.300 nan 0.000 0.500 520 V N 0.153 120.072 119.914 0.009 0.000 2.255 520 V HA -0.342 3.777 4.120 -0.000 0.000 0.247 520 V C 2.608 178.676 176.094 -0.043 0.000 1.051 520 V CA 2.037 64.305 62.300 -0.054 0.000 1.018 520 V CB -1.385 30.395 31.823 -0.072 0.000 0.641 520 V HN 0.357 nan 8.190 nan 0.000 0.445 521 A N -0.654 122.135 122.820 -0.052 0.000 1.969 521 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 521 A C 2.154 179.720 177.584 -0.030 0.000 1.169 521 A CA 1.832 53.842 52.037 -0.045 0.000 0.635 521 A CB -0.539 18.425 19.000 -0.059 0.000 0.810 521 A HN 0.451 nan 8.150 nan 0.000 0.445 522 L N -0.172 121.029 121.223 -0.037 0.000 2.012 522 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 522 L C 2.774 179.682 176.870 0.064 0.000 1.073 522 L CA 2.194 57.042 54.840 0.013 0.000 0.748 522 L CB -0.579 41.499 42.059 0.031 0.000 0.891 522 L HN 0.356 nan 8.230 nan 0.000 0.431 523 A N -1.000 121.865 122.820 0.075 0.000 1.902 523 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 523 A C 2.183 179.788 177.584 0.036 0.000 1.181 523 A CA 1.963 54.041 52.037 0.068 0.000 0.623 523 A CB -0.656 18.356 19.000 0.019 0.000 0.818 523 A HN 0.609 nan 8.150 nan 0.000 0.443 524 E N -0.417 119.791 120.200 0.014 0.000 2.152 524 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 524 E C 2.221 178.832 176.600 0.018 0.000 0.983 524 E CA 0.670 57.078 56.400 0.014 0.000 0.818 524 E CB -0.254 29.448 29.700 0.003 0.000 0.758 524 E HN 0.623 nan 8.360 nan 0.000 0.467 525 A N 1.649 124.478 122.820 0.015 0.000 1.978 525 A HA -0.182 4.137 4.320 -0.000 0.000 0.220 525 A C 1.739 179.337 177.584 0.023 0.000 1.170 525 A CA 1.233 53.279 52.037 0.015 0.000 0.636 525 A CB -0.286 18.721 19.000 0.011 0.000 0.810 525 A HN 0.172 nan 8.150 nan 0.000 0.448 526 N N -1.110 117.610 118.700 0.032 0.000 2.336 526 N HA 0.137 4.877 4.740 -0.000 0.000 0.189 526 N C 0.970 176.501 175.510 0.036 0.000 1.113 526 N CA 0.848 53.920 53.050 0.036 0.000 0.858 526 N CB 0.447 38.962 38.487 0.047 0.000 0.970 526 N HN 0.632 nan 8.380 nan 0.000 0.471 527 G N 0.607 109.428 108.800 0.035 0.000 2.132 527 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.234 527 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.234 527 G C -0.210 174.719 174.900 0.048 0.000 0.989 527 G CA -0.175 44.948 45.100 0.037 0.000 0.676 527 G HN 0.152 nan 8.290 nan 0.000 0.522 528 V N 1.770 121.714 119.914 0.050 0.000 2.357 528 V HA 0.373 4.492 4.120 -0.000 0.000 0.284 528 V C 0.120 176.245 176.094 0.052 0.000 1.018 528 V CA -1.287 61.050 62.300 0.061 0.000 0.841 528 V CB 1.500 33.356 31.823 0.056 0.000 0.991 528 V HN 0.269 nan 8.190 nan 0.000 0.437 529 D N 3.669 124.136 120.400 0.112 0.000 2.449 529 D HA 0.528 5.168 4.640 -0.000 0.000 0.236 529 D C 0.230 176.514 176.300 -0.027 0.000 1.149 529 D CA 0.618 54.709 54.000 0.150 0.000 0.878 529 D CB 1.664 42.648 40.800 0.308 0.000 1.198 529 D HN 0.810 nan 8.370 nan 0.000 0.446 530 A N 0.768 123.493 122.820 -0.159 0.000 2.581 530 A HA 0.718 5.038 4.320 -0.000 0.000 0.290 530 A C -0.589 176.796 177.584 -0.332 0.000 1.119 530 A CA -0.540 51.167 52.037 -0.550 0.000 0.670 530 A CB 2.302 21.107 19.000 -0.325 0.000 1.280 530 A HN 0.460 nan 8.150 nan 0.000 0.425 531 T N -0.838 113.490 114.554 -0.377 0.000 2.749 531 T HA 0.572 4.922 4.350 -0.000 0.000 0.310 531 T C -1.433 173.179 174.700 -0.147 0.000 1.496 531 T CA -0.525 61.486 62.100 -0.147 0.000 1.006 531 T CB 1.356 70.233 68.868 0.015 0.000 1.457 531 T HN 0.934 nan 8.240 nan 0.000 0.497 532 R N 0.956 121.408 120.500 -0.080 0.000 2.532 532 R HA 0.835 5.175 4.340 -0.000 0.000 0.295 532 R C -1.299 174.966 176.300 -0.058 0.000 0.968 532 R CA -0.521 55.533 56.100 -0.076 0.000 0.916 532 R CB 1.345 31.612 30.300 -0.056 0.000 1.124 532 R HN 0.724 nan 8.270 nan 0.000 0.463 533 A N 1.665 124.444 122.820 -0.068 0.000 2.398 533 A HA 0.358 4.678 4.320 -0.000 0.000 0.301 533 A C -0.044 177.504 177.584 -0.059 0.000 1.041 533 A CA -0.599 51.406 52.037 -0.053 0.000 0.711 533 A CB 1.682 20.650 19.000 -0.053 0.000 1.240 533 A HN 0.857 nan 8.150 nan 0.000 0.420 534 T N -1.662 112.866 114.554 -0.044 0.000 3.043 534 T HA 0.335 4.685 4.350 -0.000 0.000 0.272 534 T C 0.166 174.846 174.700 -0.033 0.000 0.990 534 T CA 0.404 62.478 62.100 -0.043 0.000 0.897 534 T CB -0.680 68.168 68.868 -0.034 0.000 1.111 534 T HN 1.025 nan 8.240 nan 0.000 0.529 535 N N -0.332 118.350 118.700 -0.029 0.000 3.106 535 N HA 0.401 5.141 4.740 -0.000 0.000 0.253 535 N C 0.383 175.881 175.510 -0.020 0.000 1.506 535 N CA -1.126 51.912 53.050 -0.020 0.000 0.876 535 N CB 0.921 39.400 38.487 -0.013 0.000 1.452 535 N HN -0.177 nan 8.380 nan 0.000 0.542 536 R N -0.155 120.337 120.500 -0.012 0.000 2.083 536 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 536 R C 1.427 177.724 176.300 -0.006 0.000 1.137 536 R CA 1.951 58.046 56.100 -0.008 0.000 0.951 536 R CB -0.303 29.997 30.300 -0.001 0.000 0.851 536 R HN 0.777 nan 8.270 nan 0.000 0.434 537 E N 0.882 121.078 120.200 -0.006 0.000 2.038 537 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 537 E C 1.748 178.346 176.600 -0.003 0.000 1.000 537 E CA 1.508 57.906 56.400 -0.004 0.000 0.803 537 E CB 0.110 29.807 29.700 -0.005 0.000 0.750 537 E HN 0.361 nan 8.360 nan 0.000 0.448 538 E N 0.040 120.236 120.200 -0.007 0.000 2.110 538 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 538 E C 2.095 178.692 176.600 -0.005 0.000 0.988 538 E CA 0.766 57.163 56.400 -0.005 0.000 0.804 538 E CB -0.041 29.652 29.700 -0.011 0.000 0.745 538 E HN 0.192 nan 8.360 nan 0.000 0.458 539 L N 0.766 121.981 121.223 -0.015 0.000 2.072 539 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 539 L C 1.958 178.823 176.870 -0.009 0.000 1.079 539 L CA 1.443 56.269 54.840 -0.022 0.000 0.752 539 L CB -0.296 41.742 42.059 -0.036 0.000 0.906 539 L HN 0.115 nan 8.230 nan 0.000 0.436 540 L N -0.616 120.607 121.223 0.000 0.000 2.046 540 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 540 L C 2.658 179.533 176.870 0.010 0.000 1.077 540 L CA 1.274 56.121 54.840 0.011 0.000 0.747 540 L CB -0.893 41.176 42.059 0.016 0.000 0.896 540 L HN 0.373 nan 8.230 nan 0.000 0.432 541 A N -0.145 122.680 122.820 0.007 0.000 1.902 541 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 541 A C 2.495 180.084 177.584 0.010 0.000 1.181 541 A CA 1.756 53.795 52.037 0.004 0.000 0.623 541 A CB -0.671 18.332 19.000 0.005 0.000 0.818 541 A HN 0.416 nan 8.150 nan 0.000 0.443 542 A N -0.475 122.368 122.820 0.039 0.000 1.930 542 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 542 A C 2.154 179.796 177.584 0.098 0.000 1.175 542 A CA 1.340 53.452 52.037 0.126 0.000 0.627 542 A CB -0.522 18.563 19.000 0.141 0.000 0.815 542 A HN 0.453 nan 8.150 nan 0.000 0.443 543 L N -1.111 120.115 121.223 0.005 0.000 2.056 543 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 543 L C 2.860 179.702 176.870 -0.046 0.000 1.078 543 L CA 1.361 56.153 54.840 -0.080 0.000 0.749 543 L CB -0.371 41.631 42.059 -0.095 0.000 0.901 543 L HN 0.330 nan 8.230 nan 0.000 0.433 544 R N -0.154 120.339 120.500 -0.012 0.000 2.092 544 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 544 R C 2.298 178.561 176.300 -0.062 0.000 1.119 544 R CA 1.224 57.323 56.100 -0.002 0.000 0.970 544 R CB -0.187 30.116 30.300 0.005 0.000 0.864 544 R HN 0.248 nan 8.270 nan 0.000 0.440 545 K N 0.335 120.661 120.400 -0.124 0.000 2.002 545 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 545 K C 2.114 178.478 176.600 -0.394 0.000 1.048 545 K CA 1.753 57.887 56.287 -0.255 0.000 0.930 545 K CB -0.421 31.887 32.500 -0.320 0.000 0.714 545 K HN 0.213 nan 8.250 nan 0.000 0.438 546 G N 0.396 108.921 108.800 -0.459 0.000 2.469 546 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 546 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 546 G C 1.584 176.425 174.900 -0.098 0.000 1.150 546 G CA 1.125 46.024 45.100 -0.334 0.000 0.763 546 G HN 0.488 nan 8.290 nan 0.000 0.561 547 A N 0.390 123.202 122.820 -0.013 0.000 2.015 547 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 547 A C 2.081 179.697 177.584 0.052 0.000 1.163 547 A CA 1.717 53.826 52.037 0.119 0.000 0.646 547 A CB -0.170 18.964 19.000 0.224 0.000 0.806 547 A HN 0.482 nan 8.150 nan 0.000 0.448 548 E N -1.085 119.105 120.200 -0.016 0.000 2.472 548 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 548 E C 1.387 177.956 176.600 -0.052 0.000 1.033 548 E CA -0.244 56.141 56.400 -0.026 0.000 0.886 548 E CB 0.091 29.770 29.700 -0.036 0.000 0.944 548 E HN 0.418 nan 8.360 nan 0.000 0.492 549 L N 0.532 121.700 121.223 -0.092 0.000 2.191 549 L HA -0.015 4.325 4.340 -0.000 0.000 0.212 549 L C 1.528 178.373 176.870 -0.042 0.000 1.103 549 L CA 1.945 56.720 54.840 -0.108 0.000 0.769 549 L CB -0.472 41.474 42.059 -0.188 0.000 0.908 549 L HN 0.296 nan 8.230 nan 0.000 0.438 550 G N -0.456 108.338 108.800 -0.011 0.000 2.166 550 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.260 550 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.260 550 G C 0.546 175.459 174.900 0.022 0.000 0.986 550 G CA 0.655 45.761 45.100 0.010 0.000 0.683 550 G HN 0.458 nan 8.290 nan 0.000 0.527 551 R N -0.516 120.002 120.500 0.030 0.000 2.764 551 R HA 0.465 4.805 4.340 -0.000 0.000 0.270 551 R C -2.760 173.593 176.300 0.088 0.000 1.014 551 R CA -1.868 54.264 56.100 0.053 0.000 0.904 551 R CB 2.177 32.507 30.300 0.051 0.000 1.236 551 R HN 0.038 nan 8.270 nan 0.000 0.466 552 P HA 0.133 nan 4.420 nan 0.000 0.270 552 P C -1.086 176.351 177.300 0.229 0.000 1.223 552 P CA 0.198 63.379 63.100 0.136 0.000 0.785 552 P CB 0.540 32.301 31.700 0.102 0.000 0.923 553 F N 1.447 121.394 119.950 -0.005 0.000 2.628 553 F HA 0.554 5.081 4.527 -0.001 0.000 0.309 553 F C -1.704 174.063 175.800 -0.054 0.000 1.108 553 F CA -1.037 56.945 58.000 -0.030 0.000 0.971 553 F CB 1.481 40.452 39.000 -0.049 0.000 1.279 553 F HN 0.167 nan 8.300 nan 0.000 0.441 554 L N 6.143 126.998 121.223 -0.614 0.000 2.381 554 L HA 0.766 5.106 4.340 -0.000 0.000 0.268 554 L C -1.591 174.879 176.870 -0.667 0.000 0.997 554 L CA -0.551 53.996 54.840 -0.488 0.000 0.818 554 L CB 1.859 43.742 42.059 -0.293 0.000 1.310 554 L HN 0.582 nan 8.230 nan 0.000 0.416 555 I N 3.713 124.010 120.570 -0.456 0.000 2.439 555 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 555 I C -0.609 175.324 176.117 -0.307 0.000 1.021 555 I CA -0.436 60.649 61.300 -0.358 0.000 1.091 555 I CB 1.899 39.748 38.000 -0.251 0.000 1.242 555 I HN 0.593 nan 8.210 nan 0.000 0.439 556 E N 6.150 126.206 120.200 -0.240 0.000 2.200 556 E HA 0.498 4.848 4.350 -0.000 0.000 0.283 556 E C -1.457 175.044 176.600 -0.165 0.000 1.015 556 E CA -0.504 55.776 56.400 -0.200 0.000 0.819 556 E CB 1.501 31.152 29.700 -0.080 0.000 1.081 556 E HN 0.365 nan 8.360 nan 0.000 0.397 557 V N 7.401 127.203 119.914 -0.187 0.000 2.483 557 V HA 0.350 4.470 4.120 -0.000 0.000 0.297 557 V C -2.258 173.745 176.094 -0.153 0.000 1.027 557 V CA -1.867 60.339 62.300 -0.156 0.000 0.855 557 V CB 1.541 33.262 31.823 -0.170 0.000 0.995 557 V HN 0.708 nan 8.190 nan 0.000 0.424 558 P HA 0.327 nan 4.420 nan 0.000 0.276 558 P C -0.681 176.523 177.300 -0.160 0.000 1.230 558 P CA 0.109 63.143 63.100 -0.111 0.000 0.776 558 P CB 1.621 33.276 31.700 -0.075 0.000 0.888 559 V N 0.854 120.644 119.914 -0.207 0.000 3.160 559 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 559 V C -0.787 175.098 176.094 -0.349 0.000 1.181 559 V CA -0.978 61.134 62.300 -0.314 0.000 1.047 559 V CB 2.160 33.722 31.823 -0.435 0.000 1.068 559 V HN 0.462 nan 8.190 nan 0.000 0.441 560 N N -0.529 117.915 118.700 -0.428 0.000 2.571 560 N HA 0.682 5.421 4.740 -0.000 0.000 0.273 560 N C -0.991 174.239 175.510 -0.467 0.000 1.340 560 N CA -0.532 52.277 53.050 -0.401 0.000 0.789 560 N CB 2.246 40.607 38.487 -0.209 0.000 1.514 560 N HN 0.744 nan 8.380 nan 0.000 0.499 561 Y N -0.290 119.987 120.300 -0.038 0.000 2.594 561 Y HA 0.272 4.822 4.550 -0.000 0.000 0.283 561 Y C 0.258 176.210 175.900 0.086 0.000 1.140 561 Y CA 0.102 58.268 58.100 0.111 0.000 1.261 561 Y CB 0.493 39.179 38.460 0.376 0.000 1.358 561 Y HN 0.482 nan 8.280 nan 0.000 0.513 562 D N 0.863 121.266 120.400 0.005 0.000 2.746 562 D HA -0.171 4.469 4.640 -0.000 0.000 0.236 562 D C -0.934 175.462 176.300 0.161 0.000 1.129 562 D CA 0.401 54.401 54.000 -0.000 0.000 0.691 562 D CB -1.367 39.480 40.800 0.079 0.000 1.077 562 D HN 0.184 nan 8.370 nan 0.000 0.432 563 F N -0.462 119.685 119.950 0.329 0.000 2.406 563 F HA 0.572 5.099 4.527 -0.000 0.000 0.327 563 F C 0.881 176.847 175.800 0.277 0.000 1.153 563 F CA -0.911 57.306 58.000 0.362 0.000 1.218 563 F CB 0.294 39.426 39.000 0.219 0.000 1.215 563 F HN -0.228 nan 8.300 nan 0.000 0.570 564 Q N 2.932 123.107 119.800 0.625 0.000 2.466 564 Q HA 0.356 4.696 4.340 -0.000 0.000 0.242 564 Q C -1.908 174.360 176.000 0.446 0.000 1.046 564 Q CA -1.864 54.190 55.803 0.419 0.000 0.841 564 Q CB 1.342 30.240 28.738 0.266 0.000 1.193 564 Q HN 0.348 nan 8.270 nan 0.000 0.508 565 P HA -0.173 nan 4.420 nan 0.000 0.216 565 P C 0.954 178.393 177.300 0.232 0.000 1.150 565 P CA 1.270 64.497 63.100 0.212 0.000 0.843 565 P CB 0.329 32.124 31.700 0.158 0.000 0.787 566 G N -0.796 108.121 108.800 0.194 0.000 2.598 566 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.215 566 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.215 566 G C 1.453 176.391 174.900 0.064 0.000 1.131 566 G CA 0.601 45.778 45.100 0.129 0.000 0.785 566 G HN 0.412 nan 8.290 nan 0.000 0.539 567 G N -0.314 108.500 108.800 0.022 0.000 3.088 567 G HA2 0.246 4.205 3.960 -0.000 0.000 0.212 567 G HA3 0.246 4.205 3.960 -0.000 0.000 0.212 567 G C 0.324 174.965 174.900 -0.432 0.000 1.173 567 G CA -0.316 44.654 45.100 -0.217 0.000 0.779 567 G HN 0.314 nan 8.290 nan 0.000 0.540 568 F N 0.614 120.520 119.950 -0.074 0.000 2.850 568 F HA 0.310 4.837 4.527 -0.000 0.000 0.306 568 F C 2.021 177.725 175.800 -0.159 0.000 1.162 568 F CA -0.548 57.363 58.000 -0.148 0.000 1.327 568 F CB 0.894 39.746 39.000 -0.246 0.000 0.953 568 F HN 0.069 nan 8.300 nan 0.000 0.507 569 G N 0.219 109.009 108.800 -0.017 0.000 2.448 569 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 569 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 569 G C 1.857 176.728 174.900 -0.048 0.000 1.127 569 G CA 0.867 45.950 45.100 -0.029 0.000 0.766 569 G HN 0.432 nan 8.290 nan 0.000 0.552 570 A N 0.446 123.230 122.820 -0.061 0.000 2.125 570 A HA 0.163 4.482 4.320 -0.000 0.000 0.219 570 A C 2.225 179.756 177.584 -0.088 0.000 1.156 570 A CA 0.742 52.739 52.037 -0.068 0.000 0.671 570 A CB -0.242 18.724 19.000 -0.057 0.000 0.794 570 A HN 0.393 nan 8.150 nan 0.000 0.459 571 L N -0.375 120.781 121.223 -0.112 0.000 2.478 571 L HA -0.007 4.333 4.340 -0.000 0.000 0.223 571 L C 1.163 177.989 176.870 -0.074 0.000 1.140 571 L CA -0.119 54.634 54.840 -0.144 0.000 0.842 571 L CB -0.399 41.526 42.059 -0.224 0.000 0.953 571 L HN 0.197 nan 8.230 nan 0.000 0.452 572 S N 0.000 115.665 115.700 -0.059 0.000 2.498 572 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 572 S CA 0.000 58.173 58.200 -0.046 0.000 1.107 572 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517