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 1upc_1_A DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXPNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.298 177.300 -0.003 0.000 1.155 12 P CA 0.000 63.042 63.100 -0.097 0.000 0.800 12 P CB 0.000 31.625 31.700 -0.126 0.000 0.726 13 T N -0.032 114.550 114.554 0.047 0.000 2.910 13 T HA 0.678 5.028 4.350 -0.000 0.000 0.287 13 T C 1.208 175.957 174.700 0.081 0.000 1.050 13 T CA 0.244 62.375 62.100 0.051 0.000 1.011 13 T CB 1.697 70.578 68.868 0.021 0.000 1.195 13 T HN 0.323 nan 8.240 nan 0.000 0.540 14 A N 0.529 123.384 122.820 0.058 0.000 2.015 14 A HA 0.207 4.526 4.320 -0.000 0.000 0.219 14 A C 2.374 179.983 177.584 0.041 0.000 1.163 14 A CA 1.919 53.988 52.037 0.054 0.000 0.646 14 A CB -1.042 17.985 19.000 0.044 0.000 0.806 14 A HN 0.884 nan 8.150 nan 0.000 0.448 15 A N -0.481 122.354 122.820 0.025 0.000 1.908 15 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 15 A C 2.018 179.587 177.584 -0.025 0.000 1.181 15 A CA 2.176 54.198 52.037 -0.025 0.000 0.627 15 A CB -0.883 18.063 19.000 -0.091 0.000 0.818 15 A HN 0.798 nan 8.150 nan 0.000 0.445 16 H N -0.316 118.722 119.070 -0.054 0.000 2.357 16 H HA 0.122 4.678 4.556 -0.000 0.000 0.301 16 H C 2.053 177.373 175.328 -0.012 0.000 1.082 16 H CA 1.818 57.841 56.048 -0.042 0.000 1.342 16 H CB -0.225 29.517 29.762 -0.033 0.000 1.389 16 H HN 0.373 nan 8.280 nan 0.000 0.511 17 A N 0.470 123.262 122.820 -0.046 0.000 2.014 17 A HA -0.034 4.285 4.320 -0.000 0.000 0.218 17 A C 2.286 179.833 177.584 -0.061 0.000 1.163 17 A CA 1.278 53.276 52.037 -0.065 0.000 0.652 17 A CB -0.678 18.345 19.000 0.038 0.000 0.808 17 A HN 0.486 nan 8.150 nan 0.000 0.449 18 L N -0.257 120.952 121.223 -0.024 0.000 2.023 18 L HA -0.013 4.326 4.340 -0.000 0.000 0.205 18 L C 2.212 179.090 176.870 0.013 0.000 1.073 18 L CA 1.711 56.566 54.840 0.026 0.000 0.745 18 L CB -0.724 41.386 42.059 0.085 0.000 0.900 18 L HN 0.360 nan 8.230 nan 0.000 0.435 19 L N -0.742 120.461 121.223 -0.034 0.000 2.046 19 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 19 L C 2.761 179.589 176.870 -0.069 0.000 1.077 19 L CA 1.463 56.289 54.840 -0.024 0.000 0.747 19 L CB -0.790 41.235 42.059 -0.056 0.000 0.896 19 L HN 0.493 nan 8.230 nan 0.000 0.432 20 S N 0.088 115.675 115.700 -0.189 0.000 2.370 20 S HA -0.255 4.215 4.470 -0.000 0.000 0.226 20 S C 2.204 176.746 174.600 -0.097 0.000 1.033 20 S CA 1.457 59.534 58.200 -0.205 0.000 1.011 20 S CB -0.135 62.820 63.200 -0.408 0.000 0.852 20 S HN 0.245 nan 8.310 nan 0.000 0.457 21 R N 0.826 121.292 120.500 -0.057 0.000 2.148 21 R HA 0.256 4.595 4.340 -0.000 0.000 0.223 21 R C 2.147 178.489 176.300 0.070 0.000 1.088 21 R CA 1.072 57.168 56.100 -0.007 0.000 0.985 21 R CB -0.875 29.446 30.300 0.035 0.000 0.880 21 R HN 0.540 nan 8.270 nan 0.000 0.451 22 L N -0.569 120.702 121.223 0.081 0.000 2.027 22 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 22 L C 2.907 179.825 176.870 0.080 0.000 1.074 22 L CA 1.888 56.798 54.840 0.118 0.000 0.745 22 L CB -0.711 41.415 42.059 0.111 0.000 0.898 22 L HN 0.258 nan 8.230 nan 0.000 0.433 23 R N 0.077 120.593 120.500 0.027 0.000 2.105 23 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 23 R C 1.742 178.032 176.300 -0.017 0.000 1.135 23 R CA 2.111 58.214 56.100 0.005 0.000 0.967 23 R CB -1.578 28.714 30.300 -0.014 0.000 0.861 23 R HN 0.393 nan 8.270 nan 0.000 0.442 24 D N -0.328 120.037 120.400 -0.059 0.000 2.218 24 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 24 D C 1.130 177.314 176.300 -0.194 0.000 0.976 24 D CA 0.979 54.894 54.000 -0.142 0.000 0.853 24 D CB -0.140 40.525 40.800 -0.225 0.000 0.939 24 D HN 0.653 nan 8.370 nan 0.000 0.481 25 H N -1.106 117.964 119.070 -0.000 0.000 2.526 25 H HA 0.286 4.842 4.556 -0.000 0.000 0.274 25 H C 1.414 176.746 175.328 0.007 0.000 0.999 25 H CA 0.838 56.887 56.048 0.002 0.000 1.157 25 H CB 0.892 30.655 29.762 0.001 0.000 1.407 25 H HN 0.220 nan 8.280 nan 0.000 0.568 26 G N 0.566 109.416 108.800 0.083 0.000 2.184 26 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.206 26 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.206 26 G C 0.185 175.116 174.900 0.051 0.000 0.995 26 G CA 0.142 45.276 45.100 0.056 0.000 0.651 26 G HN 0.178 nan 8.290 nan 0.000 0.511 27 V N 1.191 121.142 119.914 0.062 0.000 2.508 27 V HA 0.557 4.677 4.120 -0.000 0.000 0.281 27 V C 1.544 177.652 176.094 0.024 0.000 1.041 27 V CA 1.103 63.433 62.300 0.051 0.000 1.016 27 V CB 1.366 33.231 31.823 0.070 0.000 0.984 27 V HN 0.605 nan 8.190 nan 0.000 0.478 28 G N 4.548 113.348 108.800 0.001 0.000 3.062 28 G HA2 0.191 4.150 3.960 -0.000 0.000 0.228 28 G HA3 0.191 4.150 3.960 -0.000 0.000 0.228 28 G C 0.449 175.303 174.900 -0.077 0.000 1.094 28 G CA -0.117 44.968 45.100 -0.024 0.000 0.782 28 G HN 0.508 nan 8.290 nan 0.000 0.541 29 K N 0.364 120.695 120.400 -0.116 0.000 2.469 29 K HA 0.620 4.940 4.320 -0.000 0.000 0.254 29 K C -1.701 174.726 176.600 -0.289 0.000 0.939 29 K CA -0.650 55.459 56.287 -0.297 0.000 0.812 29 K CB 3.090 35.279 32.500 -0.518 0.000 1.301 29 K HN -0.132 nan 8.250 nan 0.000 0.433 30 V N 3.091 122.752 119.914 -0.423 0.000 2.443 30 V HA 0.398 4.518 4.120 -0.000 0.000 0.293 30 V C -0.915 174.717 176.094 -0.770 0.000 1.021 30 V CA -0.850 61.247 62.300 -0.339 0.000 0.848 30 V CB 0.674 32.431 31.823 -0.109 0.000 0.998 30 V HN 0.544 nan 8.190 nan 0.000 0.424 31 F N 2.919 122.614 119.950 -0.425 0.000 2.385 31 F HA 0.870 5.397 4.527 -0.000 0.000 0.336 31 F C 1.033 176.554 175.800 -0.465 0.000 1.100 31 F CA 0.362 58.050 58.000 -0.520 0.000 1.116 31 F CB 1.802 40.640 39.000 -0.270 0.000 1.166 31 F HN 0.706 nan 8.300 nan 0.000 0.511 32 G N 0.668 109.255 108.800 -0.355 0.000 2.325 32 G HA2 0.475 4.435 3.960 -0.000 0.000 0.295 32 G HA3 0.475 4.435 3.960 -0.000 0.000 0.295 32 G C -2.348 172.733 174.900 0.301 0.000 1.274 32 G CA -0.768 44.390 45.100 0.096 0.000 0.857 32 G HN 0.485 nan 8.290 nan 0.000 0.499 33 V N 0.021 120.192 119.914 0.428 0.000 2.588 33 V HA 0.638 4.758 4.120 -0.000 0.000 0.304 33 V C -0.116 176.210 176.094 0.387 0.000 1.042 33 V CA -0.749 61.764 62.300 0.354 0.000 0.877 33 V CB 1.573 33.505 31.823 0.182 0.000 0.996 33 V HN 0.750 nan 8.190 nan 0.000 0.425 34 V N 3.598 123.620 119.914 0.179 0.000 2.427 34 V HA 0.781 4.901 4.120 -0.000 0.000 0.286 34 V C 0.849 177.024 176.094 0.134 0.000 1.034 34 V CA 0.198 62.578 62.300 0.132 0.000 0.893 34 V CB 1.155 32.852 31.823 -0.209 0.000 0.982 34 V HN 0.988 nan 8.190 nan 0.000 0.452 35 G N 3.680 112.600 108.800 0.200 0.000 2.782 35 G HA2 0.324 4.284 3.960 -0.000 0.000 0.201 35 G HA3 0.324 4.284 3.960 -0.000 0.000 0.201 35 G C 0.796 175.765 174.900 0.115 0.000 1.374 35 G CA -0.250 44.928 45.100 0.131 0.000 1.039 35 G HN 0.771 nan 8.290 nan 0.000 0.576 36 R N -0.071 120.486 120.500 0.095 0.000 2.285 36 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 36 R C 1.714 178.064 176.300 0.084 0.000 1.068 36 R CA 1.676 57.823 56.100 0.077 0.000 1.004 36 R CB -0.268 30.075 30.300 0.072 0.000 0.873 36 R HN 0.569 nan 8.270 nan 0.000 0.467 37 E N 1.687 121.961 120.200 0.122 0.000 2.396 37 E HA -0.194 4.155 4.350 -0.000 0.000 0.200 37 E C 1.509 178.171 176.600 0.104 0.000 1.023 37 E CA 1.270 57.756 56.400 0.144 0.000 0.857 37 E CB -0.101 29.753 29.700 0.256 0.000 0.775 37 E HN 0.508 nan 8.360 nan 0.000 0.525 38 A N 1.697 124.562 122.820 0.075 0.000 2.024 38 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 38 A C 2.499 180.074 177.584 -0.015 0.000 1.164 38 A CA 1.865 53.906 52.037 0.007 0.000 0.643 38 A CB -0.659 18.340 19.000 -0.000 0.000 0.806 38 A HN 0.457 nan 8.150 nan 0.000 0.451 39 A N -0.932 121.894 122.820 0.010 0.000 2.024 39 A HA -0.039 4.280 4.320 -0.000 0.000 0.220 39 A C 2.228 179.807 177.584 -0.007 0.000 1.164 39 A CA 2.001 54.040 52.037 0.004 0.000 0.643 39 A CB -0.425 18.587 19.000 0.020 0.000 0.806 39 A HN 0.447 nan 8.150 nan 0.000 0.451 40 S N -1.948 113.749 115.700 -0.005 0.000 2.511 40 S HA 0.422 4.892 4.470 -0.000 0.000 0.214 40 S C 0.194 174.743 174.600 -0.084 0.000 0.997 40 S CA -0.012 58.176 58.200 -0.019 0.000 0.908 40 S CB 0.103 63.314 63.200 0.019 0.000 0.803 40 S HN 0.506 nan 8.310 nan 0.000 0.504 41 I N 0.802 121.282 120.570 -0.151 0.000 2.611 41 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 41 I C -0.322 175.547 176.117 -0.414 0.000 1.184 41 I CA -0.420 60.658 61.300 -0.370 0.000 1.054 41 I CB 1.239 38.885 38.000 -0.590 0.000 1.257 41 I HN 0.003 nan 8.210 nan 0.000 0.435 42 L N 6.895 127.907 121.223 -0.351 0.000 2.298 42 L HA 0.234 4.574 4.340 -0.000 0.000 0.209 42 L C 0.398 177.202 176.870 -0.109 0.000 1.084 42 L CA 0.828 55.555 54.840 -0.188 0.000 0.816 42 L CB 0.049 42.043 42.059 -0.107 0.000 0.967 42 L HN 0.833 nan 8.230 nan 0.000 0.460 43 F N -0.356 119.474 119.950 -0.201 0.000 2.681 43 F HA -0.231 4.296 4.527 -0.001 0.000 0.299 43 F C 0.839 176.587 175.800 -0.086 0.000 0.676 43 F CA 0.663 58.559 58.000 -0.173 0.000 1.496 43 F CB -1.793 37.057 39.000 -0.250 0.000 1.827 43 F HN 0.354 nan 8.300 nan 0.000 0.328 44 D N -0.670 119.739 120.400 0.016 0.000 2.433 44 D HA 0.137 4.777 4.640 -0.000 0.000 0.211 44 D C 1.298 177.606 176.300 0.014 0.000 1.114 44 D CA 0.429 54.442 54.000 0.021 0.000 0.837 44 D CB -0.056 40.748 40.800 0.007 0.000 0.984 44 D HN 0.296 nan 8.370 nan 0.000 0.505 45 E N -0.202 119.999 120.200 0.001 0.000 2.268 45 E HA 0.055 4.404 4.350 -0.000 0.000 0.195 45 E C -0.006 176.672 176.600 0.130 0.000 0.995 45 E CA 0.615 57.052 56.400 0.062 0.000 0.836 45 E CB 0.384 30.129 29.700 0.075 0.000 0.763 45 E HN 0.123 nan 8.360 nan 0.000 0.491 46 V N 1.318 121.273 119.914 0.069 0.000 2.482 46 V HA 0.118 4.238 4.120 -0.000 0.000 0.295 46 V C -0.317 175.800 176.094 0.038 0.000 1.026 46 V CA -0.901 61.433 62.300 0.057 0.000 0.856 46 V CB 1.761 33.578 31.823 -0.011 0.000 1.001 46 V HN 0.020 nan 8.190 nan 0.000 0.424 47 E N 2.679 122.902 120.200 0.039 0.000 2.529 47 E HA 0.299 4.649 4.350 -0.000 0.000 0.259 47 E C 1.268 177.878 176.600 0.016 0.000 0.966 47 E CA 1.376 57.791 56.400 0.024 0.000 0.937 47 E CB 0.548 30.262 29.700 0.023 0.000 0.923 47 E HN 1.114 nan 8.360 nan 0.000 0.468 48 G N 3.642 112.448 108.800 0.011 0.000 2.175 48 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 48 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 48 G C 0.065 174.965 174.900 0.000 0.000 0.982 48 G CA 0.055 45.158 45.100 0.004 0.000 0.641 48 G HN 0.538 nan 8.290 nan 0.000 0.527 49 I N 2.084 122.659 120.570 0.009 0.000 2.410 49 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 49 I C -1.107 175.018 176.117 0.015 0.000 1.009 49 I CA -0.920 60.385 61.300 0.008 0.000 1.111 49 I CB 1.096 39.116 38.000 0.032 0.000 1.262 49 I HN 0.056 nan 8.210 nan 0.000 0.443 50 D N 6.896 127.274 120.400 -0.036 0.000 2.198 50 D HA 0.244 4.883 4.640 -0.000 0.000 0.247 50 D C -0.880 175.360 176.300 -0.101 0.000 1.010 50 D CA -0.313 53.664 54.000 -0.038 0.000 0.880 50 D CB 2.450 43.210 40.800 -0.066 0.000 1.209 50 D HN 0.199 nan 8.370 nan 0.000 0.451 51 F N 1.058 120.875 119.950 -0.223 0.000 2.394 51 F HA 0.266 4.793 4.527 -0.000 0.000 0.340 51 F C -0.302 175.312 175.800 -0.311 0.000 1.105 51 F CA -0.447 57.329 58.000 -0.372 0.000 1.124 51 F CB 1.075 39.759 39.000 -0.528 0.000 1.145 51 F HN -0.014 nan 8.300 nan 0.000 0.505 52 V N 7.817 127.211 119.914 -0.866 0.000 2.284 52 V HA 0.199 4.319 4.120 -0.000 0.000 0.274 52 V C -0.504 175.319 176.094 -0.452 0.000 1.023 52 V CA -0.840 61.149 62.300 -0.519 0.000 0.808 52 V CB 0.863 32.310 31.823 -0.625 0.000 1.035 52 V HN 0.592 nan 8.190 nan 0.000 0.445 53 L N 6.247 127.434 121.223 -0.060 0.000 2.410 53 L HA 0.536 4.875 4.340 -0.000 0.000 0.273 53 L C 0.794 177.705 176.870 0.067 0.000 1.152 53 L CA 1.037 55.961 54.840 0.139 0.000 0.855 53 L CB 1.130 43.320 42.059 0.219 0.000 1.129 53 L HN 0.864 nan 8.230 nan 0.000 0.463 54 T N 2.077 116.682 114.554 0.085 0.000 2.870 54 T HA 0.541 4.890 4.350 -0.000 0.000 0.277 54 T C 0.922 175.675 174.700 0.088 0.000 1.000 54 T CA -0.772 61.371 62.100 0.072 0.000 0.982 54 T CB 1.183 70.087 68.868 0.059 0.000 1.249 54 T HN 0.505 nan 8.240 nan 0.000 0.589 55 R N -0.396 120.156 120.500 0.087 0.000 2.254 55 R HA 0.264 4.603 4.340 -0.000 0.000 0.195 55 R C 0.323 176.715 176.300 0.153 0.000 0.957 55 R CA 0.357 56.515 56.100 0.097 0.000 1.024 55 R CB -0.545 29.797 30.300 0.070 0.000 0.952 55 R HN 0.765 nan 8.270 nan 0.000 0.484 56 H N -0.406 118.695 119.070 0.052 0.000 3.038 56 H HA 0.146 4.701 4.556 -0.001 0.000 0.362 56 H C -0.166 175.217 175.328 0.091 0.000 1.167 56 H CA -0.210 55.883 56.048 0.075 0.000 1.197 56 H CB 1.920 31.730 29.762 0.080 0.000 1.840 56 H HN -0.210 nan 8.280 nan 0.000 0.540 57 E N 2.894 123.045 120.200 -0.082 0.000 2.153 57 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 57 E C 1.552 178.262 176.600 0.183 0.000 0.988 57 E CA 1.169 57.598 56.400 0.049 0.000 0.811 57 E CB -0.046 29.645 29.700 -0.014 0.000 0.746 57 E HN 0.462 nan 8.360 nan 0.000 0.466 58 F N 1.658 121.767 119.950 0.265 0.000 2.065 58 F HA -0.288 4.239 4.527 -0.001 0.000 0.298 58 F C 2.025 177.868 175.800 0.071 0.000 1.112 58 F CA 1.954 60.068 58.000 0.190 0.000 1.212 58 F CB -0.882 38.252 39.000 0.224 0.000 0.975 58 F HN -0.074 nan 8.300 nan 0.000 0.476 59 T N 1.104 115.590 114.554 -0.114 0.000 2.624 59 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 59 T C 2.215 176.730 174.700 -0.307 0.000 1.041 59 T CA 2.037 63.965 62.100 -0.287 0.000 1.159 59 T CB -1.144 67.678 68.868 -0.078 0.000 0.863 59 T HN 0.445 nan 8.240 nan 0.000 0.434 60 A N 1.365 124.100 122.820 -0.142 0.000 1.883 60 A HA 0.031 4.350 4.320 -0.000 0.000 0.217 60 A C 2.671 180.126 177.584 -0.216 0.000 1.186 60 A CA 2.088 54.052 52.037 -0.122 0.000 0.624 60 A CB -1.434 17.586 19.000 0.033 0.000 0.822 60 A HN 0.545 nan 8.150 nan 0.000 0.444 61 G N -0.992 107.713 108.800 -0.159 0.000 2.408 61 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.217 61 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.217 61 G C 1.479 176.228 174.900 -0.252 0.000 1.150 61 G CA 1.155 46.172 45.100 -0.138 0.000 0.776 61 G HN 0.333 nan 8.290 nan 0.000 0.542 62 V N 1.460 121.128 119.914 -0.410 0.000 2.358 62 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 62 V C 3.298 179.093 176.094 -0.497 0.000 1.047 62 V CA 1.799 63.824 62.300 -0.457 0.000 1.035 62 V CB -0.689 30.712 31.823 -0.704 0.000 0.658 62 V HN 0.454 nan 8.190 nan 0.000 0.452 63 A N 0.205 122.652 122.820 -0.623 0.000 1.908 63 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 63 A C 2.417 179.516 177.584 -0.810 0.000 1.181 63 A CA 2.189 53.742 52.037 -0.807 0.000 0.627 63 A CB -0.749 17.529 19.000 -1.202 0.000 0.818 63 A HN 0.570 nan 8.150 nan 0.000 0.445 64 A N 0.031 122.424 122.820 -0.712 0.000 1.930 64 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 64 A C 1.955 179.427 177.584 -0.187 0.000 1.175 64 A CA 1.836 53.685 52.037 -0.313 0.000 0.627 64 A CB -0.564 18.382 19.000 -0.089 0.000 0.815 64 A HN 0.697 nan 8.150 nan 0.000 0.443 65 D N -0.070 120.208 120.400 -0.204 0.000 2.117 65 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 65 D C 1.852 178.059 176.300 -0.155 0.000 0.982 65 D CA 1.823 55.742 54.000 -0.135 0.000 0.828 65 D CB -0.028 40.712 40.800 -0.101 0.000 0.967 65 D HN 0.226 nan 8.370 nan 0.000 0.464 66 V N 1.048 120.834 119.914 -0.215 0.000 2.323 66 V HA -0.176 3.943 4.120 -0.000 0.000 0.244 66 V C 2.683 178.676 176.094 -0.169 0.000 1.041 66 V CA 1.071 63.244 62.300 -0.212 0.000 1.025 66 V CB -0.542 31.123 31.823 -0.263 0.000 0.656 66 V HN 0.198 nan 8.190 nan 0.000 0.451 67 L N 0.990 122.121 121.223 -0.154 0.000 2.079 67 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 67 L C 2.358 179.207 176.870 -0.036 0.000 1.081 67 L CA 2.423 57.225 54.840 -0.063 0.000 0.752 67 L CB -0.818 41.245 42.059 0.006 0.000 0.896 67 L HN 0.241 nan 8.230 nan 0.000 0.433 68 A N -0.646 122.143 122.820 -0.052 0.000 1.929 68 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 68 A C 2.495 180.050 177.584 -0.049 0.000 1.176 68 A CA 1.403 53.422 52.037 -0.030 0.000 0.628 68 A CB -0.568 18.415 19.000 -0.028 0.000 0.816 68 A HN 0.498 nan 8.150 nan 0.000 0.444 69 R N -0.095 120.335 120.500 -0.117 0.000 2.080 69 R HA -0.104 4.235 4.340 -0.000 0.000 0.236 69 R C 1.865 178.086 176.300 -0.132 0.000 1.137 69 R CA 2.060 58.035 56.100 -0.207 0.000 0.943 69 R CB -0.399 29.648 30.300 -0.421 0.000 0.846 69 R HN 0.535 nan 8.270 nan 0.000 0.431 70 I N 0.261 120.777 120.570 -0.089 0.000 2.286 70 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 70 I C 2.353 178.530 176.117 0.099 0.000 1.104 70 I CA 1.648 62.990 61.300 0.070 0.000 1.397 70 I CB -0.442 37.589 38.000 0.051 0.000 1.072 70 I HN 0.403 nan 8.210 nan 0.000 0.417 71 T N -1.523 113.062 114.554 0.052 0.000 2.995 71 T HA 0.052 4.401 4.350 -0.000 0.000 0.269 71 T C 1.721 176.456 174.700 0.060 0.000 1.091 71 T CA 0.668 62.801 62.100 0.055 0.000 1.128 71 T CB -0.329 68.564 68.868 0.042 0.000 0.891 71 T HN 0.549 nan 8.240 nan 0.000 0.492 72 G N 1.657 110.493 108.800 0.060 0.000 2.168 72 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 72 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 72 G C 0.067 174.990 174.900 0.039 0.000 0.997 72 G CA 0.222 45.357 45.100 0.058 0.000 0.708 72 G HN 0.726 nan 8.290 nan 0.000 0.520 73 R N -0.178 120.342 120.500 0.034 0.000 2.740 73 R HA 0.483 4.823 4.340 -0.000 0.000 0.282 73 R C -2.796 173.519 176.300 0.026 0.000 0.969 73 R CA -2.244 53.876 56.100 0.033 0.000 0.918 73 R CB 1.756 32.081 30.300 0.042 0.000 1.175 73 R HN -0.018 nan 8.270 nan 0.000 0.464 74 P HA -0.048 nan 4.420 nan 0.000 0.265 74 P C -0.718 176.603 177.300 0.035 0.000 1.193 74 P CA 0.266 63.371 63.100 0.009 0.000 0.765 74 P CB 0.678 32.365 31.700 -0.022 0.000 0.823 75 Q N 1.063 120.888 119.800 0.042 0.000 2.873 75 Q HA 0.852 5.192 4.340 -0.000 0.000 0.297 75 Q C -0.890 175.168 176.000 0.097 0.000 1.064 75 Q CA -0.950 54.901 55.803 0.081 0.000 0.816 75 Q CB 2.205 31.001 28.738 0.096 0.000 1.481 75 Q HN 0.424 nan 8.270 nan 0.000 0.488 76 A N 0.189 123.099 122.820 0.150 0.000 2.488 76 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 76 A C -0.564 177.151 177.584 0.219 0.000 1.044 76 A CA -0.546 51.590 52.037 0.165 0.000 0.693 76 A CB 0.642 19.739 19.000 0.161 0.000 1.272 76 A HN 0.805 nan 8.150 nan 0.000 0.402 77 C N -0.158 119.267 119.300 0.208 0.000 3.044 77 C HA 0.990 5.450 4.460 -0.000 0.000 0.315 77 C C -0.964 174.220 174.990 0.324 0.000 1.320 77 C CA -0.957 58.198 59.018 0.229 0.000 1.582 77 C CB 1.502 29.326 27.740 0.140 0.000 2.039 77 C HN 1.110 nan 8.230 nan 0.000 0.466 78 W N 0.924 122.293 121.300 0.115 0.000 3.274 78 W HA 0.629 5.288 4.660 -0.000 0.000 0.327 78 W C -1.151 175.476 176.519 0.179 0.000 1.172 78 W CA -0.022 57.435 57.345 0.186 0.000 1.217 78 W CB 2.102 31.736 29.460 0.290 0.000 1.376 78 W HN 1.306 nan 8.180 nan 0.000 0.507 79 A N 2.592 125.311 122.820 -0.169 0.000 2.594 79 A HA 0.623 4.942 4.320 -0.000 0.000 0.291 79 A C -0.668 176.843 177.584 -0.122 0.000 1.105 79 A CA -0.424 51.621 52.037 0.013 0.000 0.694 79 A CB 1.831 20.845 19.000 0.022 0.000 1.291 79 A HN 0.449 nan 8.150 nan 0.000 0.410 80 T N 0.122 114.717 114.554 0.069 0.000 2.729 80 T HA 0.484 4.833 4.350 -0.000 0.000 0.298 80 T C 0.671 175.367 174.700 -0.007 0.000 1.013 80 T CA 0.079 62.214 62.100 0.058 0.000 0.957 80 T CB -0.175 68.752 68.868 0.099 0.000 1.130 80 T HN 1.047 nan 8.240 nan 0.000 0.526 81 L N -0.039 121.181 121.223 -0.006 0.000 2.476 81 L HA 0.624 4.964 4.340 -0.000 0.000 0.255 81 L C 1.359 178.207 176.870 -0.036 0.000 1.218 81 L CA -0.221 54.605 54.840 -0.024 0.000 0.819 81 L CB -0.855 41.185 42.059 -0.031 0.000 1.119 81 L HN 0.904 nan 8.230 nan 0.000 0.485 82 G N 1.145 109.920 108.800 -0.042 0.000 2.602 82 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.310 82 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.310 82 G C -1.122 173.751 174.900 -0.045 0.000 1.183 82 G CA 0.382 45.450 45.100 -0.054 0.000 0.979 82 G HN 0.770 nan 8.290 nan 0.000 0.545 83 P HA 0.011 nan 4.420 nan 0.000 0.223 83 P C 1.923 179.201 177.300 -0.038 0.000 1.151 83 P CA 2.359 65.438 63.100 -0.036 0.000 0.787 83 P CB -0.655 31.026 31.700 -0.031 0.000 0.788 84 G N 0.714 109.495 108.800 -0.031 0.000 2.433 84 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 84 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 84 G C 1.551 176.438 174.900 -0.022 0.000 1.186 84 G CA 0.943 46.029 45.100 -0.022 0.000 0.779 84 G HN 0.158 nan 8.290 nan 0.000 0.543 85 M N 2.024 121.610 119.600 -0.023 0.000 2.117 85 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 85 M C 2.694 178.959 176.300 -0.059 0.000 1.065 85 M CA 2.469 57.751 55.300 -0.031 0.000 1.114 85 M CB -1.069 31.519 32.600 -0.020 0.000 1.361 85 M HN 0.400 nan 8.290 nan 0.000 0.408 86 T N -1.312 113.212 114.554 -0.050 0.000 2.904 86 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 86 T C 1.563 176.260 174.700 -0.005 0.000 1.059 86 T CA 1.459 63.533 62.100 -0.042 0.000 1.137 86 T CB -0.572 68.275 68.868 -0.036 0.000 0.879 86 T HN 0.316 nan 8.240 nan 0.000 0.467 87 N N 1.411 120.111 118.700 -0.000 0.000 2.084 87 N HA 0.072 4.811 4.740 -0.000 0.000 0.190 87 N C 1.875 177.449 175.510 0.106 0.000 1.030 87 N CA 0.790 53.864 53.050 0.041 0.000 0.849 87 N CB -0.740 37.665 38.487 -0.136 0.000 1.012 87 N HN 0.277 nan 8.380 nan 0.000 0.423 88 L N 1.218 122.474 121.223 0.054 0.000 2.129 88 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 88 L C 2.054 178.967 176.870 0.072 0.000 1.087 88 L CA 1.549 56.434 54.840 0.075 0.000 0.757 88 L CB -0.570 41.514 42.059 0.043 0.000 0.896 88 L HN 0.301 nan 8.230 nan 0.000 0.434 89 S N -2.210 113.502 115.700 0.020 0.000 2.419 89 S HA -0.174 4.295 4.470 -0.000 0.000 0.233 89 S C 1.729 176.360 174.600 0.051 0.000 1.016 89 S CA 1.569 59.760 58.200 -0.016 0.000 0.974 89 S CB -0.581 62.575 63.200 -0.073 0.000 0.786 89 S HN 0.419 nan 8.310 nan 0.000 0.492 90 T N 1.614 116.243 114.554 0.125 0.000 2.867 90 T HA 0.084 4.434 4.350 -0.000 0.000 0.268 90 T C 1.967 176.869 174.700 0.336 0.000 1.057 90 T CA 1.247 63.460 62.100 0.189 0.000 1.136 90 T CB -0.946 67.995 68.868 0.122 0.000 0.874 90 T HN 0.649 nan 8.240 nan 0.000 0.466 91 G N 1.390 110.391 108.800 0.336 0.000 2.402 91 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 91 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 91 G C 1.510 176.460 174.900 0.083 0.000 1.162 91 G CA 0.387 45.583 45.100 0.160 0.000 0.777 91 G HN 0.481 nan 8.290 nan 0.000 0.539 92 I N 1.432 122.040 120.570 0.063 0.000 2.208 92 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 92 I C 3.264 179.398 176.117 0.029 0.000 1.097 92 I CA 1.037 62.355 61.300 0.030 0.000 1.363 92 I CB -0.180 37.812 38.000 -0.014 0.000 1.051 92 I HN 0.247 nan 8.210 nan 0.000 0.413 93 A N 0.125 122.969 122.820 0.040 0.000 1.969 93 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 93 A C 2.361 179.973 177.584 0.046 0.000 1.169 93 A CA 2.195 54.250 52.037 0.031 0.000 0.635 93 A CB -0.964 18.052 19.000 0.026 0.000 0.810 93 A HN 0.369 nan 8.150 nan 0.000 0.445 94 T N -0.468 114.141 114.554 0.092 0.000 2.684 94 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 94 T C 2.296 177.021 174.700 0.042 0.000 1.036 94 T CA 1.888 64.044 62.100 0.094 0.000 1.148 94 T CB -0.345 68.623 68.868 0.168 0.000 0.863 94 T HN 0.578 nan 8.240 nan 0.000 0.436 95 S N 0.102 115.819 115.700 0.029 0.000 2.382 95 S HA -0.078 4.391 4.470 -0.000 0.000 0.228 95 S C 2.139 176.740 174.600 0.002 0.000 1.027 95 S CA 1.204 59.408 58.200 0.007 0.000 0.991 95 S CB -0.477 62.726 63.200 0.006 0.000 0.823 95 S HN 0.281 nan 8.310 nan 0.000 0.469 96 V N 0.828 120.746 119.914 0.007 0.000 2.488 96 V HA 0.130 4.250 4.120 -0.000 0.000 0.246 96 V C 2.133 178.222 176.094 -0.009 0.000 1.046 96 V CA 1.455 63.756 62.300 0.001 0.000 1.053 96 V CB -0.258 31.567 31.823 0.003 0.000 0.679 96 V HN 0.551 nan 8.190 nan 0.000 0.458 97 L N -0.385 120.830 121.223 -0.013 0.000 2.131 97 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 97 L C 1.983 178.827 176.870 -0.043 0.000 1.087 97 L CA 1.345 56.167 54.840 -0.030 0.000 0.767 97 L CB -0.374 41.664 42.059 -0.035 0.000 0.917 97 L HN 0.317 nan 8.230 nan 0.000 0.441 98 D N -0.047 120.331 120.400 -0.037 0.000 2.347 98 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 98 D C -0.121 176.152 176.300 -0.045 0.000 0.985 98 D CA 0.180 54.151 54.000 -0.049 0.000 0.879 98 D CB 0.206 40.980 40.800 -0.043 0.000 0.919 98 D HN -0.004 nan 8.370 nan 0.000 0.526 99 R N 0.342 120.823 120.500 -0.032 0.000 2.650 99 R HA -0.097 4.243 4.340 -0.000 0.000 0.315 99 R C -0.633 175.647 176.300 -0.033 0.000 0.986 99 R CA 0.162 56.246 56.100 -0.026 0.000 0.744 99 R CB -3.169 27.117 30.300 -0.023 0.000 2.072 99 R HN 0.324 nan 8.270 nan 0.000 0.477 100 S N -0.018 115.664 115.700 -0.030 0.000 2.549 100 S HA 0.809 5.279 4.470 -0.000 0.000 0.280 100 S C -2.743 171.846 174.600 -0.019 0.000 1.109 100 S CA -1.719 56.460 58.200 -0.035 0.000 0.905 100 S CB 3.613 66.781 63.200 -0.053 0.000 1.081 100 S HN 0.153 nan 8.310 nan 0.000 0.477 101 P HA 0.358 nan 4.420 nan 0.000 0.266 101 P C -0.933 176.363 177.300 -0.005 0.000 1.586 101 P CA -0.294 62.798 63.100 -0.013 0.000 1.088 101 P CB 0.409 32.098 31.700 -0.018 0.000 1.584 102 V N 5.425 125.344 119.914 0.008 0.000 2.513 102 V HA 0.350 4.469 4.120 -0.000 0.000 0.299 102 V C 0.399 176.521 176.094 0.047 0.000 1.035 102 V CA -0.761 61.554 62.300 0.026 0.000 0.889 102 V CB 2.247 34.083 31.823 0.023 0.000 0.988 102 V HN 0.293 nan 8.190 nan 0.000 0.440 103 I N 4.136 124.742 120.570 0.061 0.000 2.306 103 I HA 0.542 4.712 4.170 -0.000 0.000 0.288 103 I C 0.507 176.692 176.117 0.113 0.000 1.036 103 I CA -0.421 60.923 61.300 0.074 0.000 1.221 103 I CB 0.958 38.992 38.000 0.058 0.000 1.385 103 I HN 0.690 nan 8.210 nan 0.000 0.472 104 A N 8.230 131.135 122.820 0.142 0.000 2.292 104 A HA 0.868 5.188 4.320 -0.000 0.000 0.319 104 A C -0.547 177.113 177.584 0.126 0.000 1.206 104 A CA -0.440 51.707 52.037 0.185 0.000 0.835 104 A CB 0.798 19.953 19.000 0.259 0.000 1.164 104 A HN 0.661 nan 8.150 nan 0.000 0.505 105 L N 1.814 123.049 121.223 0.020 0.000 2.410 105 L HA 0.787 5.127 4.340 -0.000 0.000 0.270 105 L C -0.002 176.571 176.870 -0.495 0.000 0.983 105 L CA -0.452 54.224 54.840 -0.273 0.000 0.822 105 L CB 2.190 44.120 42.059 -0.215 0.000 1.285 105 L HN 0.800 nan 8.230 nan 0.000 0.409 106 A N 2.058 124.581 122.820 -0.496 0.000 2.455 106 A HA 0.894 5.214 4.320 -0.000 0.000 0.300 106 A C -0.389 176.970 177.584 -0.375 0.000 1.040 106 A CA -0.432 51.368 52.037 -0.395 0.000 0.697 106 A CB 1.664 20.694 19.000 0.049 0.000 1.265 106 A HN 0.782 nan 8.150 nan 0.000 0.407 107 A N 0.919 123.554 122.820 -0.309 0.000 2.406 107 A HA 0.560 4.880 4.320 -0.000 0.000 0.243 107 A C 0.163 177.705 177.584 -0.069 0.000 1.082 107 A CA 0.313 52.276 52.037 -0.124 0.000 0.786 107 A CB 0.365 19.372 19.000 0.011 0.000 1.029 107 A HN 1.100 nan 8.150 nan 0.000 0.495 108 Q N 0.262 120.031 119.800 -0.052 0.000 2.451 108 Q HA 0.539 4.879 4.340 -0.000 0.000 0.281 108 Q C -0.345 175.629 176.000 -0.043 0.000 1.099 108 Q CA -0.331 55.445 55.803 -0.045 0.000 0.806 108 Q CB 1.745 30.449 28.738 -0.056 0.000 1.419 108 Q HN 0.761 nan 8.270 nan 0.000 0.427 109 S N 1.722 117.390 115.700 -0.053 0.000 2.549 109 S HA 0.006 4.476 4.470 -0.000 0.000 0.278 109 S C -0.487 174.052 174.600 -0.102 0.000 1.344 109 S CA -0.073 58.087 58.200 -0.067 0.000 1.025 109 S CB 0.019 63.172 63.200 -0.078 0.000 0.851 109 S HN 0.574 nan 8.310 nan 0.000 0.530 110 E N 1.618 121.740 120.200 -0.130 0.000 2.568 110 E HA -0.014 4.336 4.350 -0.000 0.000 0.262 110 E C 1.355 177.800 176.600 -0.260 0.000 0.961 110 E CA 0.519 56.811 56.400 -0.181 0.000 0.945 110 E CB 0.288 29.827 29.700 -0.268 0.000 0.924 110 E HN 0.632 nan 8.360 nan 0.000 0.467 111 S N 2.888 118.518 115.700 -0.117 0.000 2.374 111 S HA -0.330 4.139 4.470 -0.000 0.000 0.227 111 S C 1.652 176.173 174.600 -0.132 0.000 1.037 111 S CA 1.910 60.054 58.200 -0.093 0.000 1.024 111 S CB -0.743 62.455 63.200 -0.004 0.000 0.861 111 S HN 0.807 nan 8.310 nan 0.000 0.456 112 H N -0.203 118.819 119.070 -0.080 0.000 2.546 112 H HA 0.350 4.906 4.556 -0.000 0.000 0.277 112 H C 1.014 176.267 175.328 -0.124 0.000 1.004 112 H CA 1.048 57.050 56.048 -0.077 0.000 1.231 112 H CB -0.317 29.440 29.762 -0.008 0.000 1.382 112 H HN 0.435 nan 8.280 nan 0.000 0.580 113 D N 0.247 120.357 120.400 -0.484 0.000 2.501 113 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 113 D C -0.400 175.659 176.300 -0.402 0.000 1.202 113 D CA -0.297 53.509 54.000 -0.323 0.000 0.829 113 D CB -0.013 40.614 40.800 -0.287 0.000 1.023 113 D HN 0.385 nan 8.370 nan 0.000 0.499 114 I N 1.602 121.816 120.570 -0.593 0.000 2.311 114 I HA 0.148 4.318 4.170 -0.000 0.000 0.297 114 I C -0.615 175.091 176.117 -0.685 0.000 1.131 114 I CA -0.056 60.975 61.300 -0.448 0.000 1.289 114 I CB -0.017 37.801 38.000 -0.303 0.000 1.446 114 I HN -0.098 nan 8.210 nan 0.000 0.524 115 F N 7.289 127.227 119.950 -0.020 0.000 2.564 115 F HA 0.392 4.919 4.527 -0.001 0.000 0.368 115 F C -2.257 173.537 175.800 -0.010 0.000 1.127 115 F CA -2.826 55.168 58.000 -0.009 0.000 1.170 115 F CB 0.656 39.654 39.000 -0.003 0.000 1.397 115 F HN 0.239 nan 8.300 nan 0.000 0.493 116 P HA 0.054 nan 4.420 nan 0.000 0.264 116 P C 0.060 177.400 177.300 0.065 0.000 1.183 116 P CA 0.580 63.711 63.100 0.052 0.000 0.763 116 P CB 0.419 32.133 31.700 0.023 0.000 0.807 117 N N 0.879 119.605 118.700 0.044 0.000 2.800 117 N HA -0.167 4.572 4.740 -0.000 0.000 0.250 117 N C 0.124 175.664 175.510 0.051 0.000 1.078 117 N CA 1.255 54.327 53.050 0.037 0.000 0.804 117 N CB -1.519 36.983 38.487 0.026 0.000 1.135 117 N HN 0.530 nan 8.380 nan 0.000 0.565 118 D N -1.281 119.166 120.400 0.079 0.000 2.760 118 D HA 0.071 4.711 4.640 -0.000 0.000 0.285 118 D C 0.097 176.459 176.300 0.102 0.000 1.178 118 D CA 0.604 54.651 54.000 0.077 0.000 1.031 118 D CB 0.002 40.844 40.800 0.069 0.000 1.544 118 D HN 0.024 nan 8.370 nan 0.000 0.468 119 T N 1.227 115.874 114.554 0.154 0.000 2.916 119 T HA 0.016 4.366 4.350 -0.000 0.000 0.303 119 T C 0.155 174.933 174.700 0.131 0.000 1.025 119 T CA 0.062 62.259 62.100 0.162 0.000 1.142 119 T CB 0.475 69.451 68.868 0.179 0.000 0.947 119 T HN 0.080 nan 8.240 nan 0.000 0.544 120 H N 2.988 122.084 119.070 0.043 0.000 3.214 120 H HA -0.059 4.496 4.556 -0.000 0.000 0.291 120 H C 1.090 176.432 175.328 0.023 0.000 0.926 120 H CA 1.223 57.288 56.048 0.029 0.000 1.409 120 H CB -0.132 29.645 29.762 0.025 0.000 1.406 120 H HN 0.802 nan 8.280 nan 0.000 0.561 121 Q N 1.311 120.887 119.800 -0.374 0.000 2.452 121 Q HA -0.271 4.068 4.340 -0.000 0.000 0.248 121 Q C -0.416 175.508 176.000 -0.128 0.000 0.874 121 Q CA 1.050 56.672 55.803 -0.302 0.000 1.208 121 Q CB -1.710 26.783 28.738 -0.409 0.000 1.569 121 Q HN 0.624 nan 8.270 nan 0.000 0.579 122 C N 1.352 120.614 119.300 -0.064 0.000 2.303 122 C HA 0.618 5.078 4.460 -0.000 0.000 0.341 122 C C 0.257 175.235 174.990 -0.019 0.000 1.244 122 C CA -0.482 58.518 59.018 -0.030 0.000 1.765 122 C CB -0.462 27.279 27.740 0.000 0.000 2.379 122 C HN 0.332 nan 8.230 nan 0.000 0.530 123 L N 4.458 125.665 121.223 -0.025 0.000 2.319 123 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 123 L C -0.014 176.846 176.870 -0.016 0.000 1.011 123 L CA -0.508 54.319 54.840 -0.021 0.000 0.818 123 L CB 1.369 43.409 42.059 -0.031 0.000 1.316 123 L HN 0.492 nan 8.230 nan 0.000 0.432 124 D N 0.337 120.728 120.400 -0.016 0.000 2.551 124 D HA 0.088 4.728 4.640 -0.000 0.000 0.223 124 D C 0.933 177.224 176.300 -0.015 0.000 1.144 124 D CA 0.123 54.115 54.000 -0.013 0.000 1.025 124 D CB 0.646 41.439 40.800 -0.013 0.000 1.085 124 D HN 0.430 nan 8.370 nan 0.000 0.506 125 S N 0.735 116.440 115.700 0.008 0.000 2.374 125 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 125 S C 2.125 176.727 174.600 0.002 0.000 1.037 125 S CA 0.869 59.077 58.200 0.013 0.000 1.024 125 S CB 0.026 63.331 63.200 0.175 0.000 0.861 125 S HN 0.435 nan 8.310 nan 0.000 0.456 126 V N 1.739 121.716 119.914 0.104 0.000 2.358 126 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 126 V C 2.602 178.690 176.094 -0.010 0.000 1.047 126 V CA 1.636 63.995 62.300 0.100 0.000 1.035 126 V CB -1.133 30.730 31.823 0.066 0.000 0.658 126 V HN 0.561 nan 8.190 nan 0.000 0.452 127 A N -0.454 122.352 122.820 -0.025 0.000 1.968 127 A HA -0.079 4.240 4.320 -0.000 0.000 0.217 127 A C 2.149 179.697 177.584 -0.061 0.000 1.169 127 A CA 1.457 53.471 52.037 -0.038 0.000 0.638 127 A CB -0.415 18.568 19.000 -0.028 0.000 0.812 127 A HN 0.510 nan 8.150 nan 0.000 0.446 128 I N -0.806 119.713 120.570 -0.086 0.000 2.333 128 I HA -0.140 4.030 4.170 -0.000 0.000 0.246 128 I C 2.111 178.133 176.117 -0.158 0.000 1.106 128 I CA 0.892 62.125 61.300 -0.112 0.000 1.411 128 I CB -0.008 37.920 38.000 -0.120 0.000 1.082 128 I HN 0.132 nan 8.210 nan 0.000 0.420 129 V N 0.597 120.363 119.914 -0.247 0.000 2.788 129 V HA -0.044 4.076 4.120 -0.000 0.000 0.251 129 V C 2.588 178.585 176.094 -0.162 0.000 1.068 129 V CA 1.262 63.369 62.300 -0.322 0.000 1.090 129 V CB -0.573 30.773 31.823 -0.796 0.000 0.710 129 V HN 0.410 nan 8.190 nan 0.000 0.467 130 A N 1.143 123.905 122.820 -0.096 0.000 1.917 130 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 130 A C 0.501 178.063 177.584 -0.036 0.000 1.182 130 A CA 2.140 54.151 52.037 -0.043 0.000 0.633 130 A CB -1.850 17.129 19.000 -0.035 0.000 0.819 130 A HN 0.560 nan 8.150 nan 0.000 0.448 131 P HA -0.077 nan 4.420 nan 0.000 0.226 131 P C 1.011 178.293 177.300 -0.030 0.000 1.153 131 P CA 1.287 64.367 63.100 -0.033 0.000 0.777 131 P CB -0.149 31.529 31.700 -0.037 0.000 0.794 132 M N -2.778 116.797 119.600 -0.042 0.000 2.778 132 M HA 0.407 4.886 4.480 -0.000 0.000 0.359 132 M C -0.296 175.993 176.300 -0.018 0.000 1.216 132 M CA -0.446 54.834 55.300 -0.033 0.000 0.935 132 M CB 0.517 33.088 32.600 -0.049 0.000 1.330 132 M HN -0.249 nan 8.290 nan 0.000 0.516 133 S N -1.322 114.378 115.700 0.001 0.000 2.607 133 S HA 0.571 5.040 4.470 -0.000 0.000 0.273 133 S C 0.223 174.859 174.600 0.060 0.000 1.148 133 S CA -0.921 57.302 58.200 0.038 0.000 0.833 133 S CB 1.685 64.921 63.200 0.060 0.000 1.130 133 S HN 0.185 nan 8.310 nan 0.000 0.470 134 K N -0.238 120.217 120.400 0.091 0.000 2.296 134 K HA 0.215 4.535 4.320 -0.000 0.000 0.200 134 K C -0.367 176.346 176.600 0.188 0.000 1.048 134 K CA 0.978 57.328 56.287 0.106 0.000 0.966 134 K CB -0.451 32.098 32.500 0.083 0.000 0.754 134 K HN 0.727 nan 8.250 nan 0.000 0.466 135 Y N -1.047 119.274 120.300 0.036 0.000 2.521 135 Y HA 0.431 4.981 4.550 -0.001 0.000 0.326 135 Y C -2.119 173.833 175.900 0.087 0.000 1.176 135 Y CA -1.089 57.035 58.100 0.040 0.000 1.079 135 Y CB 1.411 39.883 38.460 0.020 0.000 1.341 135 Y HN -0.065 nan 8.280 nan 0.000 0.456 136 A N 4.579 127.205 122.820 -0.323 0.000 2.513 136 A HA 0.777 5.097 4.320 -0.000 0.000 0.296 136 A C -2.250 175.128 177.584 -0.343 0.000 1.052 136 A CA -0.312 51.657 52.037 -0.112 0.000 0.714 136 A CB 1.450 20.508 19.000 0.096 0.000 1.279 136 A HN 1.345 nan 8.150 nan 0.000 0.397 137 V N 1.253 120.992 119.914 -0.292 0.000 3.178 137 V HA 0.667 4.787 4.120 -0.000 0.000 0.302 137 V C -1.227 174.742 176.094 -0.208 0.000 1.262 137 V CA -0.467 61.659 62.300 -0.291 0.000 1.030 137 V CB 2.115 33.698 31.823 -0.400 0.000 1.074 137 V HN 1.054 nan 8.190 nan 0.000 0.438 138 E N 2.954 123.065 120.200 -0.148 0.000 2.171 138 E HA 0.487 4.837 4.350 -0.000 0.000 0.271 138 E C -1.254 175.279 176.600 -0.111 0.000 0.916 138 E CA -0.867 55.454 56.400 -0.132 0.000 0.774 138 E CB 1.849 31.497 29.700 -0.087 0.000 1.128 138 E HN 0.649 nan 8.360 nan 0.000 0.403 139 L N 4.109 125.265 121.223 -0.112 0.000 2.455 139 L HA 0.026 4.366 4.340 -0.000 0.000 0.272 139 L C 0.378 177.210 176.870 -0.063 0.000 1.174 139 L CA 1.123 55.915 54.840 -0.080 0.000 0.869 139 L CB 0.616 42.633 42.059 -0.071 0.000 1.130 139 L HN 0.742 nan 8.230 nan 0.000 0.474 140 Q N 3.979 123.746 119.800 -0.054 0.000 2.404 140 Q HA 0.296 4.636 4.340 -0.000 0.000 0.262 140 Q C -0.177 175.809 176.000 -0.023 0.000 0.846 140 Q CA 0.042 55.822 55.803 -0.038 0.000 0.978 140 Q CB 1.078 29.793 28.738 -0.037 0.000 1.156 140 Q HN 0.582 nan 8.270 nan 0.000 0.548 141 R N 0.728 121.204 120.500 -0.039 0.000 2.483 141 R HA 0.243 4.583 4.340 -0.000 0.000 0.303 141 R C -2.273 174.005 176.300 -0.037 0.000 0.987 141 R CA -1.746 54.344 56.100 -0.015 0.000 0.881 141 R CB 1.680 31.974 30.300 -0.010 0.000 1.177 141 R HN -0.146 nan 8.270 nan 0.000 0.451 142 P HA -0.282 nan 4.420 nan 0.000 0.218 142 P C 0.941 178.260 177.300 0.031 0.000 1.154 142 P CA 1.451 64.571 63.100 0.034 0.000 0.872 142 P CB 0.039 31.780 31.700 0.069 0.000 0.790 143 H N -0.684 118.397 119.070 0.018 0.000 2.524 143 H HA 0.073 4.629 4.556 -0.000 0.000 0.282 143 H C 1.145 176.486 175.328 0.021 0.000 1.016 143 H CA 0.882 56.943 56.048 0.020 0.000 1.270 143 H CB -0.674 29.099 29.762 0.018 0.000 1.394 143 H HN 0.229 nan 8.280 nan 0.000 0.568 144 E N 0.357 120.241 120.200 -0.527 0.000 2.516 144 E HA -0.040 4.310 4.350 -0.000 0.000 0.199 144 E C 1.704 178.230 176.600 -0.123 0.000 1.069 144 E CA 0.151 56.335 56.400 -0.360 0.000 0.876 144 E CB 0.010 29.494 29.700 -0.359 0.000 0.843 144 E HN 0.300 nan 8.360 nan 0.000 0.530 145 I N 0.930 121.460 120.570 -0.067 0.000 2.361 145 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 145 I C 1.906 178.026 176.117 0.005 0.000 1.133 145 I CA 1.561 62.850 61.300 -0.018 0.000 1.413 145 I CB -0.307 37.695 38.000 0.004 0.000 1.073 145 I HN -0.029 nan 8.210 nan 0.000 0.424 146 T N 0.802 115.362 114.554 0.011 0.000 2.674 146 T HA -0.217 4.133 4.350 -0.000 0.000 0.265 146 T C 1.438 176.156 174.700 0.030 0.000 1.039 146 T CA 1.946 64.063 62.100 0.028 0.000 1.150 146 T CB -0.584 68.305 68.868 0.036 0.000 0.864 146 T HN 0.703 nan 8.240 nan 0.000 0.427 147 D N 1.077 121.485 120.400 0.012 0.000 2.219 147 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 147 D C 2.007 178.313 176.300 0.010 0.000 0.970 147 D CA 0.695 54.703 54.000 0.013 0.000 0.851 147 D CB -0.635 40.169 40.800 0.007 0.000 0.943 147 D HN 0.339 nan 8.370 nan 0.000 0.488 148 L N 0.267 121.502 121.223 0.020 0.000 2.027 148 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 148 L C 2.593 179.469 176.870 0.011 0.000 1.074 148 L CA 0.690 55.567 54.840 0.063 0.000 0.745 148 L CB -0.469 41.630 42.059 0.066 0.000 0.898 148 L HN 0.066 nan 8.230 nan 0.000 0.433 149 V N 0.093 120.015 119.914 0.012 0.000 2.287 149 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 149 V C 2.145 178.196 176.094 -0.072 0.000 1.053 149 V CA 2.041 64.339 62.300 -0.003 0.000 1.027 149 V CB -0.573 31.287 31.823 0.061 0.000 0.646 149 V HN 0.453 nan 8.190 nan 0.000 0.447 150 D N -0.253 120.142 120.400 -0.009 0.000 2.144 150 D HA -0.119 4.520 4.640 -0.000 0.000 0.199 150 D C 2.429 178.622 176.300 -0.179 0.000 0.984 150 D CA 1.597 55.580 54.000 -0.029 0.000 0.834 150 D CB -0.266 40.572 40.800 0.063 0.000 0.955 150 D HN 0.362 nan 8.370 nan 0.000 0.465 151 S N 0.078 115.638 115.700 -0.234 0.000 2.402 151 S HA -0.048 4.421 4.470 -0.000 0.000 0.229 151 S C 2.005 176.104 174.600 -0.834 0.000 1.021 151 S CA 0.822 58.760 58.200 -0.438 0.000 0.974 151 S CB -0.032 62.952 63.200 -0.360 0.000 0.800 151 S HN 0.347 nan 8.310 nan 0.000 0.484 152 A N 1.237 123.586 122.820 -0.785 0.000 1.845 152 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 152 A C 2.305 179.690 177.584 -0.332 0.000 1.195 152 A CA 1.647 53.336 52.037 -0.580 0.000 0.616 152 A CB -1.130 17.759 19.000 -0.185 0.000 0.832 152 A HN 0.318 nan 8.150 nan 0.000 0.443 153 V N 1.105 120.834 119.914 -0.308 0.000 2.282 153 V HA -0.342 3.777 4.120 -0.000 0.000 0.249 153 V C 2.409 178.366 176.094 -0.228 0.000 1.057 153 V CA 2.384 64.501 62.300 -0.305 0.000 1.032 153 V CB -1.151 30.328 31.823 -0.574 0.000 0.645 153 V HN 0.574 nan 8.190 nan 0.000 0.447 154 N N 0.445 119.007 118.700 -0.230 0.000 2.037 154 N HA -0.192 4.548 4.740 -0.000 0.000 0.196 154 N C 1.790 177.221 175.510 -0.132 0.000 1.034 154 N CA 2.044 55.000 53.050 -0.157 0.000 0.861 154 N CB -0.603 37.794 38.487 -0.151 0.000 1.039 154 N HN 0.535 nan 8.380 nan 0.000 0.427 155 A N 0.228 122.943 122.820 -0.174 0.000 1.970 155 A HA 0.246 4.565 4.320 -0.000 0.000 0.216 155 A C 2.274 179.829 177.584 -0.049 0.000 1.170 155 A CA 1.465 53.449 52.037 -0.088 0.000 0.645 155 A CB -0.604 18.360 19.000 -0.059 0.000 0.816 155 A HN 0.312 nan 8.150 nan 0.000 0.447 156 A N -0.894 121.885 122.820 -0.068 0.000 1.930 156 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 156 A C 1.805 179.367 177.584 -0.037 0.000 1.175 156 A CA 1.503 53.518 52.037 -0.037 0.000 0.627 156 A CB -0.336 18.637 19.000 -0.044 0.000 0.815 156 A HN 0.381 nan 8.150 nan 0.000 0.443 157 M N 1.078 120.646 119.600 -0.053 0.000 2.571 157 M HA 0.117 4.597 4.480 -0.000 0.000 0.235 157 M C -0.454 175.829 176.300 -0.028 0.000 1.216 157 M CA 0.512 55.790 55.300 -0.037 0.000 0.979 157 M CB -0.892 31.683 32.600 -0.041 0.000 1.616 157 M HN 0.144 nan 8.290 nan 0.000 0.469 158 T N 0.834 115.372 114.554 -0.026 0.000 2.859 158 T HA 0.311 4.660 4.350 -0.000 0.000 0.281 158 T C 0.320 175.012 174.700 -0.013 0.000 1.005 158 T CA -0.670 61.419 62.100 -0.019 0.000 1.025 158 T CB 2.053 70.910 68.868 -0.017 0.000 0.977 158 T HN 0.094 nan 8.240 nan 0.000 0.458 159 E N 3.499 123.690 120.200 -0.015 0.000 2.338 159 E HA 0.232 4.582 4.350 -0.000 0.000 0.272 159 E C -2.223 174.371 176.600 -0.010 0.000 1.029 159 E CA -2.015 54.377 56.400 -0.014 0.000 0.872 159 E CB 0.682 30.369 29.700 -0.020 0.000 1.015 159 E HN 0.337 nan 8.360 nan 0.000 0.417 160 P HA 0.036 nan 4.420 nan 0.000 0.282 160 P C 0.050 177.347 177.300 -0.005 0.000 1.262 160 P CA -0.424 62.672 63.100 -0.007 0.000 0.773 160 P CB 0.611 32.308 31.700 -0.005 0.000 0.879 161 V N 1.445 121.355 119.914 -0.006 0.000 3.139 161 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 161 V C 0.518 176.609 176.094 -0.004 0.000 1.095 161 V CA 0.467 62.763 62.300 -0.007 0.000 1.160 161 V CB 0.012 31.831 31.823 -0.008 0.000 1.003 161 V HN 0.887 nan 8.190 nan 0.000 0.489 162 G N 2.220 111.020 108.800 -0.000 0.000 2.430 162 G HA2 0.572 4.531 3.960 -0.000 0.000 0.300 162 G HA3 0.572 4.531 3.960 -0.000 0.000 0.300 162 G C -3.515 171.397 174.900 0.021 0.000 1.330 162 G CA -0.506 44.600 45.100 0.009 0.000 0.813 162 G HN 0.764 nan 8.290 nan 0.000 0.487 163 P HA 0.498 nan 4.420 nan 0.000 0.282 163 P C -0.710 176.653 177.300 0.106 0.000 1.249 163 P CA -0.207 62.930 63.100 0.062 0.000 0.806 163 P CB 1.832 33.569 31.700 0.062 0.000 0.984 164 S N 1.828 117.610 115.700 0.136 0.000 2.521 164 S HA 0.582 5.051 4.470 -0.000 0.000 0.295 164 S C -1.041 173.725 174.600 0.278 0.000 1.098 164 S CA -0.321 58.017 58.200 0.231 0.000 0.999 164 S CB 0.597 63.887 63.200 0.150 0.000 1.034 164 S HN 0.418 nan 8.310 nan 0.000 0.483 165 F N 3.577 123.610 119.950 0.138 0.000 2.495 165 F HA 0.722 5.249 4.527 -0.001 0.000 0.327 165 F C -1.176 174.648 175.800 0.039 0.000 1.103 165 F CA -1.088 56.941 58.000 0.048 0.000 0.949 165 F CB 0.681 39.676 39.000 -0.008 0.000 1.142 165 F HN 0.443 nan 8.300 nan 0.000 0.457 166 I N 4.825 124.833 120.570 -0.935 0.000 2.468 166 I HA 0.213 4.382 4.170 -0.000 0.000 0.285 166 I C -0.587 174.884 176.117 -1.076 0.000 1.039 166 I CA -0.690 60.153 61.300 -0.762 0.000 1.074 166 I CB 1.885 39.704 38.000 -0.301 0.000 1.228 166 I HN 0.541 nan 8.210 nan 0.000 0.436 167 S N 7.128 122.309 115.700 -0.865 0.000 2.537 167 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 167 S C -0.579 173.857 174.600 -0.273 0.000 1.272 167 S CA -0.377 57.533 58.200 -0.483 0.000 1.050 167 S CB 0.470 63.564 63.200 -0.176 0.000 0.961 167 S HN 0.484 nan 8.310 nan 0.000 0.496 168 L N 6.265 127.362 121.223 -0.211 0.000 2.417 168 L HA 0.388 4.728 4.340 -0.000 0.000 0.259 168 L C -2.476 174.352 176.870 -0.070 0.000 1.023 168 L CA -2.005 52.756 54.840 -0.131 0.000 0.901 168 L CB 1.642 43.627 42.059 -0.124 0.000 1.227 168 L HN 0.455 nan 8.230 nan 0.000 0.454 169 P HA -0.040 nan 4.420 nan 0.000 0.262 169 P C 1.195 178.490 177.300 -0.008 0.000 1.182 169 P CA 0.113 63.188 63.100 -0.041 0.000 0.761 169 P CB 1.081 32.754 31.700 -0.045 0.000 0.795 170 V N 3.507 123.422 119.914 0.003 0.000 2.332 170 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 170 V C 2.028 178.144 176.094 0.037 0.000 1.055 170 V CA 2.503 64.822 62.300 0.032 0.000 1.038 170 V CB -1.081 30.765 31.823 0.038 0.000 0.651 170 V HN 0.673 nan 8.190 nan 0.000 0.450 171 D N 0.519 120.942 120.400 0.039 0.000 2.104 171 D HA -0.237 4.403 4.640 -0.000 0.000 0.194 171 D C 2.009 178.336 176.300 0.044 0.000 0.994 171 D CA 1.689 55.723 54.000 0.057 0.000 0.830 171 D CB -0.710 40.151 40.800 0.102 0.000 0.959 171 D HN 0.444 nan 8.370 nan 0.000 0.452 172 L N -0.540 120.703 121.223 0.034 0.000 2.093 172 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 172 L C 2.687 179.573 176.870 0.028 0.000 1.085 172 L CA 0.401 55.258 54.840 0.027 0.000 0.755 172 L CB -0.447 41.619 42.059 0.011 0.000 0.904 172 L HN 0.055 nan 8.230 nan 0.000 0.435 173 L N 0.491 121.732 121.223 0.031 0.000 2.083 173 L HA -0.063 4.276 4.340 -0.000 0.000 0.209 173 L C 2.054 178.944 176.870 0.033 0.000 1.083 173 L CA 1.977 56.843 54.840 0.043 0.000 0.752 173 L CB -0.845 41.258 42.059 0.073 0.000 0.899 173 L HN 0.114 nan 8.230 nan 0.000 0.433 174 G N -1.459 107.358 108.800 0.029 0.000 3.233 174 G HA2 0.057 4.017 3.960 -0.000 0.000 0.227 174 G HA3 0.057 4.017 3.960 -0.000 0.000 0.227 174 G C 0.412 175.323 174.900 0.020 0.000 1.175 174 G CA 0.482 45.593 45.100 0.018 0.000 0.781 174 G HN 0.367 nan 8.290 nan 0.000 0.542 175 S N -0.086 115.630 115.700 0.027 0.000 2.541 175 S HA 0.405 4.875 4.470 -0.000 0.000 0.283 175 S C 1.533 176.152 174.600 0.031 0.000 1.196 175 S CA 0.145 58.362 58.200 0.028 0.000 1.062 175 S CB 1.432 64.652 63.200 0.033 0.000 1.009 175 S HN 0.263 nan 8.310 nan 0.000 0.502 176 S N 2.479 118.194 115.700 0.025 0.000 2.548 176 S HA 0.159 4.629 4.470 -0.000 0.000 0.215 176 S C 0.435 175.054 174.600 0.032 0.000 0.976 176 S CA -0.269 57.946 58.200 0.026 0.000 0.908 176 S CB -0.390 62.816 63.200 0.010 0.000 0.781 176 S HN 0.839 nan 8.310 nan 0.000 0.519 177 E N 1.448 121.668 120.200 0.034 0.000 2.585 177 E HA 0.311 4.661 4.350 -0.000 0.000 0.252 177 E C 1.238 177.870 176.600 0.054 0.000 0.981 177 E CA 0.988 57.409 56.400 0.035 0.000 0.943 177 E CB -0.421 29.302 29.700 0.038 0.000 0.923 177 E HN 0.505 nan 8.360 nan 0.000 0.486 178 G N 4.028 112.837 108.800 0.015 0.000 2.184 178 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 178 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 178 G C 0.212 175.086 174.900 -0.044 0.000 0.975 178 G CA 0.213 45.287 45.100 -0.043 0.000 0.642 178 G HN 0.550 nan 8.290 nan 0.000 0.536 179 I N 1.911 122.494 120.570 0.022 0.000 2.307 179 I HA 0.539 4.708 4.170 -0.000 0.000 0.289 179 I C 0.266 176.394 176.117 0.018 0.000 1.021 179 I CA 0.538 61.866 61.300 0.047 0.000 1.224 179 I CB 1.266 39.312 38.000 0.076 0.000 1.376 179 I HN 0.251 nan 8.210 nan 0.000 0.470 180 D N 4.868 125.274 120.400 0.010 0.000 2.471 180 D HA 0.715 5.355 4.640 -0.000 0.000 0.245 180 D C 0.124 176.434 176.300 0.017 0.000 1.116 180 D CA -0.065 53.936 54.000 0.002 0.000 0.853 180 D CB 1.551 42.342 40.800 -0.016 0.000 1.123 180 D HN 0.681 nan 8.370 nan 0.000 0.540 185 N N 3.392 122.097 118.700 0.009 0.000 2.452 185 N HA 0.304 5.044 4.740 -0.000 0.000 0.266 185 N C -1.716 173.788 175.510 -0.010 0.000 1.175 185 N CA -0.543 52.507 53.050 -0.000 0.000 0.945 185 N CB 0.410 38.890 38.487 -0.012 0.000 1.063 185 N HN 0.318 nan 8.380 nan 0.000 0.472 186 P HA 0.267 nan 4.420 nan 0.000 0.271 186 P C -2.515 174.768 177.300 -0.028 0.000 1.233 186 P CA -0.903 62.191 63.100 -0.009 0.000 0.789 186 P CB -0.494 31.208 31.700 0.002 0.000 0.951 187 P HA 0.185 nan 4.420 nan 0.000 0.275 187 P C 0.122 177.387 177.300 -0.057 0.000 1.228 187 P CA -0.254 62.822 63.100 -0.041 0.000 0.786 187 P CB 0.596 32.283 31.700 -0.021 0.000 0.927 188 A N 2.414 125.169 122.820 -0.108 0.000 1.898 188 A HA -0.067 4.252 4.320 -0.000 0.000 0.214 188 A C 0.727 178.311 177.584 0.000 0.000 1.183 188 A CA 0.845 52.775 52.037 -0.180 0.000 0.622 188 A CB -1.033 17.669 19.000 -0.496 0.000 0.824 188 A HN 0.623 nan 8.150 nan 0.000 0.444 189 N N -0.309 118.395 118.700 0.007 0.000 2.747 189 N HA -0.115 4.625 4.740 -0.000 0.000 0.249 189 N C -0.467 175.095 175.510 0.086 0.000 1.107 189 N CA 1.251 54.326 53.050 0.043 0.000 0.707 189 N CB -2.354 36.156 38.487 0.038 0.000 1.054 189 N HN 0.461 nan 8.380 nan 0.000 0.555 190 T N 2.134 116.766 114.554 0.130 0.000 2.822 190 T HA 0.135 4.485 4.350 -0.000 0.000 0.288 190 T C -1.870 172.878 174.700 0.079 0.000 0.991 190 T CA -0.335 61.870 62.100 0.176 0.000 1.176 190 T CB 0.403 69.402 68.868 0.217 0.000 0.951 190 T HN 0.069 nan 8.240 nan 0.000 0.526 191 P HA 0.195 nan 4.420 nan 0.000 0.264 191 P C 0.309 177.626 177.300 0.028 0.000 1.193 191 P CA -0.200 62.916 63.100 0.027 0.000 0.763 191 P CB 0.495 32.200 31.700 0.008 0.000 0.810 192 A N 3.811 126.647 122.820 0.026 0.000 2.021 192 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 192 A C 0.844 178.443 177.584 0.024 0.000 1.163 192 A CA 1.190 53.243 52.037 0.027 0.000 0.676 192 A CB -0.388 18.627 19.000 0.025 0.000 0.818 192 A HN 0.612 nan 8.150 nan 0.000 0.453 193 K N -0.539 119.872 120.400 0.019 0.000 2.508 193 K HA 0.541 4.860 4.320 -0.000 0.000 0.260 193 K C -3.373 173.231 176.600 0.008 0.000 0.949 193 K CA -1.998 54.299 56.287 0.017 0.000 0.834 193 K CB 1.486 33.997 32.500 0.017 0.000 1.365 193 K HN -0.207 nan 8.250 nan 0.000 0.437 194 P HA -0.071 nan 4.420 nan 0.000 0.263 194 P C -0.616 176.677 177.300 -0.011 0.000 1.175 194 P CA -0.316 62.782 63.100 -0.004 0.000 0.761 194 P CB 0.421 32.120 31.700 -0.003 0.000 0.794 195 V N 3.557 123.462 119.914 -0.014 0.000 2.572 195 V HA 0.420 4.539 4.120 -0.000 0.000 0.291 195 V C 1.168 177.248 176.094 -0.024 0.000 1.039 195 V CA 0.759 63.049 62.300 -0.017 0.000 1.055 195 V CB 0.448 32.262 31.823 -0.015 0.000 0.969 195 V HN 0.811 nan 8.190 nan 0.000 0.482 196 G N 3.198 111.978 108.800 -0.034 0.000 2.788 196 G HA2 0.728 4.688 3.960 -0.000 0.000 0.293 196 G HA3 0.728 4.688 3.960 -0.000 0.000 0.293 196 G C -0.764 174.106 174.900 -0.050 0.000 1.305 196 G CA -0.589 44.484 45.100 -0.046 0.000 1.005 196 G HN 0.818 nan 8.290 nan 0.000 0.496 197 V N -1.948 117.932 119.914 -0.056 0.000 2.716 197 V HA 0.810 4.929 4.120 -0.000 0.000 0.304 197 V C -0.360 175.684 176.094 -0.084 0.000 1.053 197 V CA -0.946 61.324 62.300 -0.050 0.000 0.984 197 V CB 1.375 33.179 31.823 -0.032 0.000 1.021 197 V HN 0.520 nan 8.190 nan 0.000 0.467 198 V N 2.435 122.312 119.914 -0.060 0.000 2.567 198 V HA 0.722 4.841 4.120 -0.000 0.000 0.298 198 V C 0.373 176.482 176.094 0.025 0.000 1.047 198 V CA -0.276 61.974 62.300 -0.083 0.000 0.880 198 V CB 1.447 33.223 31.823 -0.079 0.000 1.009 198 V HN 1.338 nan 8.190 nan 0.000 0.429 199 A N 2.852 125.708 122.820 0.060 0.000 2.401 199 A HA 0.492 4.812 4.320 -0.000 0.000 0.259 199 A C 0.101 177.817 177.584 0.221 0.000 1.103 199 A CA -0.155 51.950 52.037 0.113 0.000 0.789 199 A CB 0.170 19.226 19.000 0.094 0.000 1.035 199 A HN 0.933 nan 8.150 nan 0.000 0.491 200 D N 1.439 121.926 120.400 0.144 0.000 2.571 200 D HA 0.313 4.952 4.640 -0.000 0.000 0.231 200 D C 1.436 177.792 176.300 0.093 0.000 1.133 200 D CA 2.229 56.299 54.000 0.117 0.000 0.862 200 D CB 0.226 41.062 40.800 0.061 0.000 1.179 200 D HN 1.255 nan 8.370 nan 0.000 0.474 201 G N 3.541 112.352 108.800 0.019 0.000 2.153 201 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 201 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 201 G C 1.049 175.935 174.900 -0.024 0.000 0.994 201 G CA 0.540 45.612 45.100 -0.048 0.000 0.698 201 G HN 0.705 nan 8.290 nan 0.000 0.521 202 W N -0.104 121.176 121.300 -0.034 0.000 2.425 202 W HA -0.043 4.617 4.660 -0.000 0.000 0.277 202 W C 1.425 177.894 176.519 -0.083 0.000 1.231 202 W CA 1.276 58.596 57.345 -0.041 0.000 1.248 202 W CB -0.643 28.796 29.460 -0.035 0.000 1.117 202 W HN 0.403 nan 8.180 nan 0.000 0.568 203 Q N 1.512 120.713 119.800 -0.998 0.000 2.079 203 Q HA -0.163 4.176 4.340 -0.000 0.000 0.200 203 Q C 2.300 178.061 176.000 -0.397 0.000 0.974 203 Q CA 2.403 57.522 55.803 -1.140 0.000 0.840 203 Q CB -0.540 27.511 28.738 -1.146 0.000 0.898 203 Q HN 0.300 nan 8.270 nan 0.000 0.430 204 K N 0.056 120.323 120.400 -0.221 0.000 2.057 204 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 204 K C 1.903 178.515 176.600 0.021 0.000 1.049 204 K CA 1.259 57.511 56.287 -0.058 0.000 0.931 204 K CB -0.159 32.314 32.500 -0.045 0.000 0.714 204 K HN 0.225 nan 8.250 nan 0.000 0.440 205 A N 0.654 123.500 122.820 0.043 0.000 1.929 205 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 205 A C 2.254 179.947 177.584 0.181 0.000 1.176 205 A CA 1.434 53.532 52.037 0.101 0.000 0.628 205 A CB -0.626 18.434 19.000 0.100 0.000 0.816 205 A HN 0.432 nan 8.150 nan 0.000 0.444 206 A N 0.061 123.024 122.820 0.239 0.000 2.019 206 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 206 A C 1.641 179.477 177.584 0.421 0.000 1.164 206 A CA 1.839 54.133 52.037 0.428 0.000 0.644 206 A CB -0.420 18.866 19.000 0.476 0.000 0.805 206 A HN 0.455 nan 8.150 nan 0.000 0.449 207 D N -0.543 120.017 120.400 0.268 0.000 2.162 207 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 207 D C 2.123 178.543 176.300 0.199 0.000 0.967 207 D CA 1.109 55.243 54.000 0.224 0.000 0.840 207 D CB -0.418 40.470 40.800 0.148 0.000 0.972 207 D HN 0.589 nan 8.370 nan 0.000 0.482 208 Q N 0.424 120.326 119.800 0.168 0.000 2.181 208 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 208 Q C 2.091 178.207 176.000 0.193 0.000 0.980 208 Q CA 1.467 57.356 55.803 0.144 0.000 0.862 208 Q CB -0.058 28.741 28.738 0.102 0.000 0.905 208 Q HN 0.216 nan 8.270 nan 0.000 0.429 209 A N 0.753 123.737 122.820 0.273 0.000 1.929 209 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 209 A C 2.267 180.148 177.584 0.496 0.000 1.176 209 A CA 1.254 53.500 52.037 0.347 0.000 0.628 209 A CB -0.658 18.564 19.000 0.370 0.000 0.816 209 A HN 0.380 nan 8.150 nan 0.000 0.444 210 A N -0.072 123.069 122.820 0.536 0.000 1.972 210 A HA 0.156 4.475 4.320 -0.000 0.000 0.219 210 A C 2.406 180.193 177.584 0.338 0.000 1.169 210 A CA 1.983 54.189 52.037 0.283 0.000 0.635 210 A CB -0.789 18.203 19.000 -0.013 0.000 0.810 210 A HN 0.990 nan 8.150 nan 0.000 0.446 211 A N -0.587 122.383 122.820 0.250 0.000 1.968 211 A HA 0.137 4.456 4.320 -0.000 0.000 0.217 211 A C 2.093 179.747 177.584 0.116 0.000 1.169 211 A CA 1.120 53.255 52.037 0.164 0.000 0.638 211 A CB -0.413 18.656 19.000 0.114 0.000 0.812 211 A HN 0.453 nan 8.150 nan 0.000 0.446 212 L N -0.958 120.357 121.223 0.153 0.000 2.109 212 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 212 L C 2.507 179.457 176.870 0.134 0.000 1.086 212 L CA 0.870 55.783 54.840 0.122 0.000 0.760 212 L CB -0.426 41.710 42.059 0.129 0.000 0.910 212 L HN 0.474 nan 8.230 nan 0.000 0.437 213 L N 0.371 121.729 121.223 0.225 0.000 2.017 213 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 213 L C 2.675 179.610 176.870 0.108 0.000 1.073 213 L CA 2.007 56.990 54.840 0.238 0.000 0.745 213 L CB -0.779 41.515 42.059 0.391 0.000 0.894 213 L HN 0.132 nan 8.230 nan 0.000 0.432 214 A N -0.676 122.141 122.820 -0.005 0.000 1.884 214 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 214 A C 1.980 179.431 177.584 -0.221 0.000 1.197 214 A CA 2.002 53.778 52.037 -0.435 0.000 0.637 214 A CB -0.761 17.820 19.000 -0.698 0.000 0.827 214 A HN 0.535 nan 8.150 nan 0.000 0.450 215 E N -0.127 120.010 120.200 -0.105 0.000 2.438 215 E HA 0.344 4.694 4.350 -0.000 0.000 0.192 215 E C 0.050 176.639 176.600 -0.019 0.000 1.110 215 E CA 0.620 56.983 56.400 -0.060 0.000 0.893 215 E CB -0.467 29.216 29.700 -0.029 0.000 0.990 215 E HN 0.521 nan 8.360 nan 0.000 0.490 216 A N 0.401 123.217 122.820 -0.008 0.000 2.343 216 A HA 0.365 4.684 4.320 -0.000 0.000 0.316 216 A C 0.964 178.555 177.584 0.012 0.000 1.104 216 A CA -0.604 51.450 52.037 0.028 0.000 0.768 216 A CB 1.490 20.526 19.000 0.061 0.000 1.213 216 A HN -0.021 nan 8.150 nan 0.000 0.456 217 K N 0.498 120.923 120.400 0.040 0.000 2.076 217 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 217 K C -0.244 176.244 176.600 -0.188 0.000 1.051 217 K CA 1.088 57.363 56.287 -0.020 0.000 0.949 217 K CB -0.033 32.560 32.500 0.155 0.000 0.726 217 K HN 0.846 nan 8.250 nan 0.000 0.443 218 H N 0.688 119.786 119.070 0.046 0.000 2.607 218 H HA 0.234 4.790 4.556 -0.001 0.000 0.248 218 H C -2.610 172.748 175.328 0.049 0.000 1.355 218 H CA -1.930 54.158 56.048 0.067 0.000 1.524 218 H CB 1.473 31.270 29.762 0.059 0.000 1.563 218 H HN 0.199 nan 8.280 nan 0.000 0.509 219 P HA 0.162 nan 4.420 nan 0.000 0.279 219 P C -0.017 177.341 177.300 0.095 0.000 1.252 219 P CA -0.496 62.667 63.100 0.105 0.000 0.811 219 P CB 2.283 34.049 31.700 0.109 0.000 1.035 220 V N -1.078 118.873 119.914 0.063 0.000 3.007 220 V HA 0.558 4.677 4.120 -0.000 0.000 0.311 220 V C -0.675 175.425 176.094 0.010 0.000 1.120 220 V CA -1.173 61.148 62.300 0.035 0.000 0.980 220 V CB 1.846 33.717 31.823 0.080 0.000 1.033 220 V HN 0.261 nan 8.190 nan 0.000 0.429 221 L N 3.113 124.336 121.223 -0.001 0.000 2.265 221 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 221 L C -0.497 176.376 176.870 0.006 0.000 1.033 221 L CA -0.726 54.111 54.840 -0.004 0.000 0.814 221 L CB 1.652 43.716 42.059 0.008 0.000 1.203 221 L HN 0.540 nan 8.230 nan 0.000 0.423 222 V N 5.026 124.936 119.914 -0.007 0.000 2.348 222 V HA 0.251 4.371 4.120 -0.000 0.000 0.270 222 V C 0.196 176.321 176.094 0.052 0.000 1.037 222 V CA -0.480 61.847 62.300 0.045 0.000 0.872 222 V CB 1.617 33.448 31.823 0.013 0.000 1.002 222 V HN 0.418 nan 8.190 nan 0.000 0.464 223 V N 4.800 124.753 119.914 0.065 0.000 2.398 223 V HA 0.755 4.875 4.120 -0.000 0.000 0.286 223 V C 0.792 176.927 176.094 0.068 0.000 1.026 223 V CA -0.170 62.161 62.300 0.051 0.000 0.868 223 V CB 1.491 33.330 31.823 0.027 0.000 0.982 223 V HN 0.886 nan 8.190 nan 0.000 0.443 224 G N 2.339 111.175 108.800 0.061 0.000 2.552 224 G HA2 0.571 4.530 3.960 -0.000 0.000 0.324 224 G HA3 0.571 4.530 3.960 -0.000 0.000 0.324 224 G C 0.873 175.804 174.900 0.051 0.000 1.217 224 G CA 0.009 45.138 45.100 0.049 0.000 0.989 224 G HN 0.880 nan 8.290 nan 0.000 0.490 225 A N -0.084 122.781 122.820 0.074 0.000 1.933 225 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 225 A C 2.696 180.352 177.584 0.120 0.000 1.175 225 A CA 2.405 54.534 52.037 0.153 0.000 0.628 225 A CB -0.833 18.299 19.000 0.219 0.000 0.814 225 A HN 1.448 nan 8.150 nan 0.000 0.444 226 A N -0.060 122.796 122.820 0.060 0.000 1.997 226 A HA 0.015 4.335 4.320 -0.000 0.000 0.221 226 A C 2.406 180.009 177.584 0.031 0.000 1.172 226 A CA 2.243 54.304 52.037 0.039 0.000 0.645 226 A CB -0.878 18.127 19.000 0.007 0.000 0.813 226 A HN 1.128 nan 8.150 nan 0.000 0.454 227 A N -0.362 122.471 122.820 0.022 0.000 1.969 227 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 227 A C 2.060 179.639 177.584 -0.007 0.000 1.169 227 A CA 1.339 53.380 52.037 0.006 0.000 0.635 227 A CB -0.485 18.517 19.000 0.003 0.000 0.810 227 A HN 0.532 nan 8.150 nan 0.000 0.445 228 I N -1.292 119.267 120.570 -0.019 0.000 2.286 228 I HA -0.190 3.979 4.170 -0.000 0.000 0.245 228 I C 2.706 178.830 176.117 0.013 0.000 1.104 228 I CA 0.947 62.200 61.300 -0.080 0.000 1.397 228 I CB -0.379 37.453 38.000 -0.280 0.000 1.072 228 I HN 0.247 nan 8.210 nan 0.000 0.417 229 R N 0.288 120.845 120.500 0.096 0.000 2.091 229 R HA -0.171 4.168 4.340 -0.000 0.000 0.238 229 R C 2.435 178.763 176.300 0.047 0.000 1.136 229 R CA 1.662 57.822 56.100 0.099 0.000 0.959 229 R CB -0.385 29.970 30.300 0.092 0.000 0.856 229 R HN 0.199 nan 8.270 nan 0.000 0.437 230 S N -0.731 114.984 115.700 0.025 0.000 2.547 230 S HA -0.027 4.443 4.470 -0.000 0.000 0.235 230 S C 0.993 175.599 174.600 0.010 0.000 0.980 230 S CA 0.886 59.092 58.200 0.010 0.000 0.941 230 S CB -0.097 63.102 63.200 -0.001 0.000 0.763 230 S HN 0.675 nan 8.310 nan 0.000 0.532 231 G N 0.259 109.064 108.800 0.008 0.000 2.198 231 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 231 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 231 G C 0.454 175.353 174.900 -0.001 0.000 1.042 231 G CA 0.297 45.398 45.100 0.002 0.000 0.791 231 G HN 0.858 nan 8.290 nan 0.000 0.502 232 A N -0.990 121.828 122.820 -0.003 0.000 2.345 232 A HA 0.628 4.948 4.320 -0.000 0.000 0.225 232 A C 2.157 179.740 177.584 -0.002 0.000 1.243 232 A CA 1.348 53.390 52.037 0.008 0.000 0.875 232 A CB 0.167 19.181 19.000 0.024 0.000 0.929 232 A HN 0.872 nan 8.150 nan 0.000 0.502 233 V N 1.008 120.907 119.914 -0.025 0.000 2.229 233 V HA -0.137 3.983 4.120 -0.000 0.000 0.243 233 V C -0.072 176.007 176.094 -0.026 0.000 1.042 233 V CA 2.450 64.727 62.300 -0.039 0.000 1.000 233 V CB -1.473 30.307 31.823 -0.071 0.000 0.637 233 V HN 0.335 nan 8.190 nan 0.000 0.446 234 P HA -0.239 nan 4.420 nan 0.000 0.216 234 P C 1.655 178.956 177.300 0.001 0.000 1.154 234 P CA 2.401 65.497 63.100 -0.008 0.000 0.865 234 P CB -0.194 31.504 31.700 -0.002 0.000 0.789 235 A N -1.197 121.628 122.820 0.008 0.000 1.898 235 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 235 A C 2.245 179.844 177.584 0.025 0.000 1.181 235 A CA 1.421 53.469 52.037 0.018 0.000 0.620 235 A CB -1.552 17.463 19.000 0.026 0.000 0.819 235 A HN 0.113 nan 8.150 nan 0.000 0.442 236 I N -0.943 119.641 120.570 0.023 0.000 2.179 236 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 236 I C 2.668 178.790 176.117 0.009 0.000 1.088 236 I CA 1.749 63.066 61.300 0.029 0.000 1.357 236 I CB -0.293 37.718 38.000 0.017 0.000 1.051 236 I HN 0.382 nan 8.210 nan 0.000 0.409 237 R N 1.088 121.577 120.500 -0.017 0.000 2.112 237 R HA -0.266 4.074 4.340 -0.000 0.000 0.242 237 R C 2.273 178.576 176.300 0.005 0.000 1.137 237 R CA 2.148 58.226 56.100 -0.037 0.000 0.944 237 R CB -0.377 29.897 30.300 -0.044 0.000 0.857 237 R HN 0.402 nan 8.270 nan 0.000 0.435 238 A N 0.550 123.380 122.820 0.017 0.000 1.969 238 A HA -0.108 4.211 4.320 -0.000 0.000 0.218 238 A C 2.031 179.633 177.584 0.029 0.000 1.169 238 A CA 1.106 53.160 52.037 0.027 0.000 0.635 238 A CB -0.463 18.548 19.000 0.018 0.000 0.810 238 A HN 0.425 nan 8.150 nan 0.000 0.445 239 L N -0.416 120.828 121.223 0.035 0.000 2.056 239 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 239 L C 2.612 179.516 176.870 0.056 0.000 1.078 239 L CA 2.043 56.913 54.840 0.049 0.000 0.749 239 L CB -0.573 41.542 42.059 0.093 0.000 0.901 239 L HN 0.307 nan 8.230 nan 0.000 0.433 240 A N -0.654 122.195 122.820 0.049 0.000 1.873 240 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 240 A C 2.149 179.769 177.584 0.060 0.000 1.186 240 A CA 1.715 53.778 52.037 0.043 0.000 0.616 240 A CB -0.706 18.296 19.000 0.004 0.000 0.823 240 A HN 0.571 nan 8.150 nan 0.000 0.442 241 E N -0.798 119.449 120.200 0.078 0.000 2.049 241 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 241 E C 2.329 178.966 176.600 0.061 0.000 1.007 241 E CA 1.609 58.070 56.400 0.101 0.000 0.809 241 E CB -0.201 29.569 29.700 0.117 0.000 0.749 241 E HN 0.606 nan 8.360 nan 0.000 0.450 242 R N 0.663 121.189 120.500 0.044 0.000 2.073 242 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 242 R C 1.901 178.220 176.300 0.032 0.000 1.134 242 R CA 1.223 57.340 56.100 0.028 0.000 0.952 242 R CB -0.077 30.229 30.300 0.010 0.000 0.850 242 R HN 0.159 nan 8.270 nan 0.000 0.433 243 L N 0.733 121.980 121.223 0.041 0.000 2.628 243 L HA 0.128 4.468 4.340 -0.000 0.000 0.229 243 L C 0.131 177.028 176.870 0.046 0.000 1.137 243 L CA -0.183 54.687 54.840 0.051 0.000 0.909 243 L CB -0.089 42.012 42.059 0.070 0.000 1.137 243 L HN 0.344 nan 8.230 nan 0.000 0.470 244 N N 1.331 120.057 118.700 0.042 0.000 2.738 244 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 244 N C -0.459 175.061 175.510 0.017 0.000 1.047 244 N CA 0.448 53.519 53.050 0.035 0.000 0.707 244 N CB -1.089 37.415 38.487 0.028 0.000 0.937 244 N HN 0.317 nan 8.380 nan 0.000 0.545 245 I N 0.505 121.085 120.570 0.017 0.000 2.325 245 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 245 I C -1.825 174.232 176.117 -0.099 0.000 1.019 245 I CA -1.961 59.333 61.300 -0.010 0.000 1.302 245 I CB 1.087 39.111 38.000 0.040 0.000 1.401 245 I HN -0.004 nan 8.210 nan 0.000 0.485 246 P HA 0.027 nan 4.420 nan 0.000 0.265 246 P C -0.626 176.508 177.300 -0.277 0.000 1.193 246 P CA -0.044 62.728 63.100 -0.547 0.000 0.765 246 P CB 0.586 31.550 31.700 -1.227 0.000 0.823 247 V N 5.730 125.528 119.914 -0.193 0.000 2.347 247 V HA 0.329 4.448 4.120 -0.000 0.000 0.280 247 V C 0.425 176.519 176.094 0.001 0.000 1.021 247 V CA -0.242 62.017 62.300 -0.070 0.000 0.847 247 V CB 0.571 32.359 31.823 -0.058 0.000 0.990 247 V HN 0.382 nan 8.190 nan 0.000 0.444 248 I N 4.695 125.287 120.570 0.036 0.000 2.493 248 I HA 0.631 4.801 4.170 -0.000 0.000 0.298 248 I C 0.439 176.622 176.117 0.109 0.000 0.998 248 I CA -0.215 61.142 61.300 0.095 0.000 1.137 248 I CB 2.362 40.439 38.000 0.128 0.000 1.310 248 I HN 0.711 nan 8.210 nan 0.000 0.445 249 T N 0.218 114.845 114.554 0.122 0.000 2.930 249 T HA 0.589 4.939 4.350 -0.000 0.000 0.290 249 T C 0.104 174.899 174.700 0.159 0.000 1.052 249 T CA -0.718 61.455 62.100 0.122 0.000 1.017 249 T CB 1.697 70.627 68.868 0.103 0.000 1.137 249 T HN 0.667 nan 8.240 nan 0.000 0.511 250 T N -0.145 114.492 114.554 0.137 0.000 2.729 250 T HA 0.223 4.573 4.350 -0.000 0.000 0.298 250 T C 0.925 175.765 174.700 0.233 0.000 1.013 250 T CA -0.450 61.717 62.100 0.110 0.000 0.957 250 T CB -0.125 68.744 68.868 0.000 0.000 1.130 250 T HN 0.534 nan 8.240 nan 0.000 0.526 251 Y N -0.560 119.831 120.300 0.152 0.000 2.165 251 Y HA 0.050 4.600 4.550 -0.000 0.000 0.286 251 Y C 2.283 178.358 175.900 0.291 0.000 1.155 251 Y CA 0.345 58.574 58.100 0.214 0.000 1.164 251 Y CB -0.852 37.732 38.460 0.206 0.000 0.978 251 Y HN 0.479 nan 8.280 nan 0.000 0.513 252 I N -1.040 119.746 120.570 0.360 0.000 3.968 252 I HA 0.107 4.277 4.170 -0.000 0.000 0.328 252 I C 1.546 177.866 176.117 0.338 0.000 1.290 252 I CA 0.308 61.820 61.300 0.353 0.000 1.163 252 I CB 0.050 38.204 38.000 0.257 0.000 1.024 252 I HN 0.066 nan 8.210 nan 0.000 0.413 253 A N 0.512 123.466 122.820 0.223 0.000 2.370 253 A HA 0.134 4.454 4.320 -0.000 0.000 0.238 253 A C 0.640 178.284 177.584 0.099 0.000 1.289 253 A CA -0.202 51.905 52.037 0.116 0.000 0.885 253 A CB -0.360 18.689 19.000 0.081 0.000 0.961 253 A HN 0.133 nan 8.150 nan 0.000 0.499 254 K N -0.352 120.146 120.400 0.163 0.000 2.451 254 K HA 0.353 4.673 4.320 -0.000 0.000 0.280 254 K C 1.135 177.788 176.600 0.088 0.000 1.020 254 K CA 0.975 57.337 56.287 0.124 0.000 1.008 254 K CB 0.270 32.863 32.500 0.155 0.000 0.917 254 K HN 0.584 nan 8.250 nan 0.000 0.478 255 G N 0.851 109.676 108.800 0.043 0.000 2.179 255 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 255 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 255 G C 0.706 175.587 174.900 -0.031 0.000 0.990 255 G CA 0.162 45.272 45.100 0.017 0.000 0.646 255 G HN 0.517 nan 8.290 nan 0.000 0.517 256 V N -1.486 118.401 119.914 -0.045 0.000 2.594 256 V HA 0.376 4.495 4.120 -0.000 0.000 0.253 256 V C 1.353 177.396 176.094 -0.084 0.000 1.069 256 V CA 1.534 63.790 62.300 -0.073 0.000 1.082 256 V CB -0.406 31.378 31.823 -0.065 0.000 0.680 256 V HN 0.451 nan 8.190 nan 0.000 0.469 257 L N 0.367 121.536 121.223 -0.090 0.000 2.330 257 L HA 0.585 4.925 4.340 -0.000 0.000 0.271 257 L C -2.425 174.426 176.870 -0.032 0.000 1.013 257 L CA -2.276 52.484 54.840 -0.132 0.000 0.816 257 L CB 1.740 43.629 42.059 -0.283 0.000 1.287 257 L HN -0.029 nan 8.230 nan 0.000 0.435 258 P HA 0.072 nan 4.420 nan 0.000 0.272 258 P C -0.721 176.628 177.300 0.082 0.000 1.240 258 P CA -0.422 62.714 63.100 0.059 0.000 0.791 258 P CB 0.398 32.149 31.700 0.085 0.000 0.978 259 V N 0.391 120.344 119.914 0.066 0.000 2.740 259 V HA 0.340 4.459 4.120 -0.000 0.000 0.303 259 V C 1.768 177.908 176.094 0.077 0.000 1.054 259 V CA 1.249 63.589 62.300 0.066 0.000 1.106 259 V CB -0.499 31.355 31.823 0.052 0.000 0.957 259 V HN 1.035 nan 8.190 nan 0.000 0.486 260 G N 1.561 110.406 108.800 0.075 0.000 2.268 260 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.240 260 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.240 260 G C 0.421 175.371 174.900 0.084 0.000 1.010 260 G CA 0.340 45.477 45.100 0.062 0.000 0.618 260 G HN 1.026 nan 8.290 nan 0.000 0.516 261 H N 2.244 121.332 119.070 0.030 0.000 3.064 261 H HA 0.399 4.955 4.556 -0.001 0.000 0.329 261 H C 1.755 177.113 175.328 0.051 0.000 1.020 261 H CA 1.621 57.691 56.048 0.037 0.000 1.402 261 H CB 0.857 30.641 29.762 0.037 0.000 1.379 261 H HN 0.633 nan 8.280 nan 0.000 0.594 262 E N 5.452 125.648 120.200 -0.008 0.000 2.204 262 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 262 E C 2.240 179.018 176.600 0.298 0.000 0.990 262 E CA 1.214 57.670 56.400 0.092 0.000 0.821 262 E CB -0.200 29.495 29.700 -0.009 0.000 0.750 262 E HN 0.746 nan 8.360 nan 0.000 0.477 263 L N 0.541 122.065 121.223 0.501 0.000 2.592 263 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 263 L C 1.286 178.320 176.870 0.275 0.000 1.127 263 L CA -0.166 54.877 54.840 0.337 0.000 0.884 263 L CB 0.139 42.332 42.059 0.223 0.000 1.065 263 L HN 0.151 nan 8.230 nan 0.000 0.457 264 N N 0.346 119.224 118.700 0.298 0.000 2.671 264 N HA -0.097 4.643 4.740 -0.000 0.000 0.274 264 N C 0.175 175.844 175.510 0.264 0.000 1.188 264 N CA 0.070 53.235 53.050 0.191 0.000 1.065 264 N CB 0.145 38.715 38.487 0.137 0.000 1.415 264 N HN 0.077 nan 8.380 nan 0.000 0.511 265 Y N 1.583 121.873 120.300 -0.018 0.000 2.465 265 Y HA 0.223 4.773 4.550 -0.000 0.000 0.311 265 Y C 1.767 177.635 175.900 -0.054 0.000 1.204 265 Y CA 0.196 58.266 58.100 -0.051 0.000 1.272 265 Y CB -0.514 37.898 38.460 -0.080 0.000 1.083 265 Y HN 0.597 nan 8.280 nan 0.000 0.508 266 G N 0.179 109.034 108.800 0.093 0.000 2.725 266 G HA2 0.059 4.019 3.960 -0.000 0.000 0.220 266 G HA3 0.059 4.019 3.960 -0.000 0.000 0.220 266 G C -0.484 174.445 174.900 0.048 0.000 1.357 266 G CA -0.660 44.457 45.100 0.028 0.000 0.866 266 G HN 0.611 nan 8.290 nan 0.000 0.548 267 A N -1.142 121.693 122.820 0.024 0.000 2.312 267 A HA 0.810 5.130 4.320 -0.000 0.000 0.328 267 A C 0.249 177.895 177.584 0.104 0.000 1.158 267 A CA 0.051 52.140 52.037 0.086 0.000 0.821 267 A CB 1.635 20.684 19.000 0.082 0.000 1.170 267 A HN 1.859 nan 8.150 nan 0.000 0.490 268 V N 1.259 121.296 119.914 0.205 0.000 2.509 268 V HA 0.667 4.787 4.120 -0.000 0.000 0.284 268 V C 0.577 176.864 176.094 0.321 0.000 1.047 268 V CA 0.050 62.499 62.300 0.248 0.000 0.952 268 V CB 1.408 33.435 31.823 0.340 0.000 0.988 268 V HN 1.033 nan 8.190 nan 0.000 0.469 269 T N 2.294 117.003 114.554 0.259 0.000 2.933 269 T HA 0.504 4.854 4.350 -0.000 0.000 0.305 269 T C 1.085 175.896 174.700 0.184 0.000 1.092 269 T CA 0.210 62.518 62.100 0.347 0.000 1.008 269 T CB 1.702 70.760 68.868 0.317 0.000 1.102 269 T HN 0.814 nan 8.240 nan 0.000 0.469 270 G N 1.378 110.263 108.800 0.141 0.000 2.470 270 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 270 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 270 G C 0.710 175.537 174.900 -0.122 0.000 1.121 270 G CA 0.686 45.764 45.100 -0.036 0.000 0.766 270 G HN 0.807 nan 8.290 nan 0.000 0.553 271 Y N 0.708 120.958 120.300 -0.083 0.000 2.529 271 Y HA 0.127 4.677 4.550 -0.000 0.000 0.290 271 Y C 2.788 178.646 175.900 -0.069 0.000 1.177 271 Y CA 0.635 58.736 58.100 0.002 0.000 1.305 271 Y CB -0.171 38.184 38.460 -0.174 0.000 1.047 271 Y HN 0.302 nan 8.280 nan 0.000 0.522 272 M N -1.468 118.129 119.600 -0.006 0.000 2.156 272 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 272 M C 0.973 177.182 176.300 -0.151 0.000 1.067 272 M CA 1.817 57.047 55.300 -0.117 0.000 1.131 272 M CB -0.323 32.218 32.600 -0.099 0.000 1.368 272 M HN -0.084 nan 8.290 nan 0.000 0.416 273 D N 1.419 121.742 120.400 -0.129 0.000 2.144 273 D HA -0.059 4.580 4.640 -0.000 0.000 0.199 273 D C 2.277 178.417 176.300 -0.267 0.000 0.984 273 D CA 1.875 55.795 54.000 -0.133 0.000 0.834 273 D CB -0.598 40.131 40.800 -0.118 0.000 0.955 273 D HN 0.630 nan 8.370 nan 0.000 0.465 274 G N 0.305 108.771 108.800 -0.556 0.000 2.403 274 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.216 274 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.216 274 G C 1.770 176.377 174.900 -0.489 0.000 1.154 274 G CA 0.101 44.545 45.100 -1.094 0.000 0.784 274 G HN 0.247 nan 8.290 nan 0.000 0.538 275 I N 0.199 120.649 120.570 -0.199 0.000 2.252 275 I HA -0.051 4.118 4.170 -0.000 0.000 0.245 275 I C 2.391 178.386 176.117 -0.204 0.000 1.102 275 I CA 0.831 62.068 61.300 -0.106 0.000 1.385 275 I CB -0.027 37.713 38.000 -0.433 0.000 1.064 275 I HN 0.099 nan 8.210 nan 0.000 0.414 276 L N -0.093 120.961 121.223 -0.282 0.000 2.509 276 L HA 0.082 4.421 4.340 -0.000 0.000 0.222 276 L C 0.290 177.236 176.870 0.126 0.000 1.123 276 L CA 0.128 54.799 54.840 -0.282 0.000 0.856 276 L CB -0.280 41.600 42.059 -0.299 0.000 0.985 276 L HN 0.317 nan 8.230 nan 0.000 0.456 277 N N 0.450 119.206 118.700 0.093 0.000 2.725 277 N HA -0.247 4.493 4.740 -0.000 0.000 0.251 277 N C -0.663 174.966 175.510 0.198 0.000 1.031 277 N CA 1.013 54.142 53.050 0.132 0.000 0.720 277 N CB -1.039 37.567 38.487 0.197 0.000 0.930 277 N HN 0.236 nan 8.380 nan 0.000 0.543 278 F N 0.116 120.046 119.950 -0.034 0.000 2.641 278 F HA 0.373 4.900 4.527 -0.000 0.000 0.308 278 F C -2.249 173.524 175.800 -0.044 0.000 1.105 278 F CA -1.671 56.317 58.000 -0.020 0.000 0.964 278 F CB 1.907 40.900 39.000 -0.012 0.000 1.294 278 F HN -0.200 nan 8.300 nan 0.000 0.442 279 P HA 0.204 nan 4.420 nan 0.000 0.225 279 P C -0.238 177.112 177.300 0.084 0.000 1.813 279 P CA 0.310 63.320 63.100 -0.150 0.000 1.013 279 P CB 0.448 31.990 31.700 -0.263 0.000 1.961 280 A N 2.256 125.234 122.820 0.263 0.000 1.897 280 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 280 A C 2.088 179.765 177.584 0.155 0.000 1.181 280 A CA 0.919 53.125 52.037 0.282 0.000 0.620 280 A CB -1.034 18.054 19.000 0.146 0.000 0.821 280 A HN 0.327 nan 8.150 nan 0.000 0.443 281 L N -0.656 120.653 121.223 0.144 0.000 2.046 281 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 281 L C 2.906 179.926 176.870 0.250 0.000 1.077 281 L CA 1.174 56.156 54.840 0.235 0.000 0.747 281 L CB -0.493 41.694 42.059 0.213 0.000 0.896 281 L HN 0.416 nan 8.230 nan 0.000 0.432 282 Q N -0.502 119.386 119.800 0.147 0.000 2.084 282 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 282 Q C 2.241 178.306 176.000 0.109 0.000 0.978 282 Q CA 2.035 57.907 55.803 0.115 0.000 0.844 282 Q CB -0.442 28.318 28.738 0.037 0.000 0.898 282 Q HN 0.495 nan 8.270 nan 0.000 0.426 283 T N 1.271 115.892 114.554 0.112 0.000 2.821 283 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 283 T C 1.826 176.594 174.700 0.113 0.000 1.046 283 T CA 1.333 63.508 62.100 0.125 0.000 1.139 283 T CB -0.143 68.851 68.868 0.210 0.000 0.871 283 T HN 0.186 nan 8.240 nan 0.000 0.454 284 M N -0.307 119.313 119.600 0.033 0.000 2.200 284 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 284 M C 0.710 176.859 176.300 -0.252 0.000 1.066 284 M CA 1.691 56.904 55.300 -0.146 0.000 1.127 284 M CB 0.071 32.410 32.600 -0.435 0.000 1.379 284 M HN 0.204 nan 8.290 nan 0.000 0.420 285 F N -1.804 118.224 119.950 0.129 0.000 2.784 285 F HA 0.442 4.969 4.527 -0.000 0.000 0.323 285 F C 1.955 177.734 175.800 -0.034 0.000 1.085 285 F CA 0.160 58.189 58.000 0.047 0.000 1.196 285 F CB -0.764 38.310 39.000 0.123 0.000 1.053 285 F HN 0.065 nan 8.300 nan 0.000 0.578 286 A N 1.559 124.456 122.820 0.129 0.000 1.883 286 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 286 A C -0.407 177.165 177.584 -0.019 0.000 1.186 286 A CA 1.954 54.029 52.037 0.063 0.000 0.624 286 A CB -1.876 17.150 19.000 0.043 0.000 0.822 286 A HN 0.191 nan 8.150 nan 0.000 0.444 287 P HA 0.164 nan 4.420 nan 0.000 0.251 287 P C 0.018 177.167 177.300 -0.252 0.000 1.223 287 P CA 0.129 63.102 63.100 -0.213 0.000 0.796 287 P CB -0.078 31.434 31.700 -0.313 0.000 1.068 288 V N 3.520 123.291 119.914 -0.240 0.000 2.540 288 V HA -0.046 4.073 4.120 -0.000 0.000 0.297 288 V C 1.445 177.541 176.094 0.004 0.000 1.024 288 V CA 1.132 63.363 62.300 -0.116 0.000 1.105 288 V CB 0.171 31.972 31.823 -0.036 0.000 0.938 288 V HN 0.208 nan 8.190 nan 0.000 0.482 289 D N 3.158 123.587 120.400 0.048 0.000 2.407 289 D HA 0.201 4.840 4.640 -0.000 0.000 0.208 289 D C -0.082 176.247 176.300 0.047 0.000 1.083 289 D CA -0.096 53.936 54.000 0.054 0.000 0.844 289 D CB 0.584 41.425 40.800 0.069 0.000 0.967 289 D HN 0.348 nan 8.370 nan 0.000 0.506 290 L N 0.553 121.801 121.223 0.040 0.000 2.543 290 L HA 0.484 4.824 4.340 -0.000 0.000 0.265 290 L C -1.902 174.948 176.870 -0.032 0.000 0.945 290 L CA -0.786 54.065 54.840 0.017 0.000 0.869 290 L CB 2.364 44.456 42.059 0.056 0.000 1.294 290 L HN -0.187 nan 8.230 nan 0.000 0.405 291 V N 6.032 125.864 119.914 -0.136 0.000 2.384 291 V HA 0.497 4.617 4.120 -0.000 0.000 0.287 291 V C -0.423 175.520 176.094 -0.252 0.000 1.020 291 V CA -0.409 61.721 62.300 -0.283 0.000 0.850 291 V CB 1.537 32.923 31.823 -0.729 0.000 0.987 291 V HN 0.580 nan 8.190 nan 0.000 0.436 292 L N 4.909 126.023 121.223 -0.182 0.000 2.283 292 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 292 L C 0.658 177.416 176.870 -0.188 0.000 1.033 292 L CA -0.126 54.618 54.840 -0.161 0.000 0.848 292 L CB 1.704 43.710 42.059 -0.088 0.000 1.226 292 L HN 0.801 nan 8.230 nan 0.000 0.429 293 T N 0.350 114.774 114.554 -0.216 0.000 2.782 293 T HA 0.430 4.780 4.350 -0.000 0.000 0.298 293 T C -0.009 174.660 174.700 -0.051 0.000 0.944 293 T CA -0.645 61.378 62.100 -0.129 0.000 1.001 293 T CB 0.336 69.096 68.868 -0.181 0.000 0.932 293 T HN 0.125 nan 8.240 nan 0.000 0.524 294 V N 4.042 123.930 119.914 -0.043 0.000 2.334 294 V HA 0.609 4.729 4.120 -0.000 0.000 0.267 294 V C 1.359 177.449 176.094 -0.006 0.000 1.040 294 V CA 0.197 62.452 62.300 -0.075 0.000 0.866 294 V CB 0.115 31.911 31.823 -0.046 0.000 1.019 294 V HN 1.300 nan 8.190 nan 0.000 0.468 295 G N 4.081 112.871 108.800 -0.017 0.000 2.212 295 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.255 295 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.255 295 G C -0.168 174.772 174.900 0.066 0.000 1.062 295 G CA -0.140 44.969 45.100 0.014 0.000 0.815 295 G HN 0.809 nan 8.290 nan 0.000 0.497 296 Y N 1.131 121.432 120.300 0.002 0.000 2.610 296 Y HA 0.448 4.998 4.550 0.000 0.000 0.332 296 Y C 0.237 176.187 175.900 0.083 0.000 1.201 296 Y CA 0.357 58.499 58.100 0.070 0.000 1.465 296 Y CB 1.045 39.603 38.460 0.162 0.000 1.283 296 Y HN 0.243 nan 8.280 nan 0.000 0.563 297 D N 4.816 124.744 120.400 -0.787 0.000 2.470 297 D HA 0.004 4.644 4.640 -0.000 0.000 0.233 297 D C -0.113 175.805 176.300 -0.637 0.000 1.372 297 D CA -0.516 53.189 54.000 -0.492 0.000 0.994 297 D CB 0.051 40.717 40.800 -0.223 0.000 1.377 297 D HN 0.526 nan 8.370 nan 0.000 0.586 298 Y N 3.741 123.685 120.300 -0.595 0.000 2.241 298 Y HA -0.182 4.368 4.550 0.000 0.000 0.286 298 Y C 1.977 177.755 175.900 -0.203 0.000 1.166 298 Y CA 2.279 60.205 58.100 -0.291 0.000 1.203 298 Y CB -0.277 38.168 38.460 -0.026 0.000 0.977 298 Y HN 0.537 nan 8.280 nan 0.000 0.529 299 A N -0.106 122.618 122.820 -0.160 0.000 2.024 299 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 299 A C 2.082 179.521 177.584 -0.242 0.000 1.164 299 A CA 1.829 53.745 52.037 -0.202 0.000 0.643 299 A CB -0.630 18.300 19.000 -0.116 0.000 0.806 299 A HN 0.638 nan 8.150 nan 0.000 0.451 300 E N -1.789 118.252 120.200 -0.266 0.000 2.347 300 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 300 E C 0.083 176.437 176.600 -0.410 0.000 1.008 300 E CA 0.508 56.719 56.400 -0.315 0.000 0.852 300 E CB 0.017 29.554 29.700 -0.272 0.000 0.783 300 E HN 0.528 nan 8.360 nan 0.000 0.505 301 D N -0.741 119.470 120.400 -0.315 0.000 3.124 301 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 301 D C -1.185 175.039 176.300 -0.128 0.000 1.092 301 D CA 0.154 54.003 54.000 -0.251 0.000 0.939 301 D CB -0.978 39.721 40.800 -0.169 0.000 1.088 301 D HN 0.057 nan 8.370 nan 0.000 0.432 302 L N 1.726 122.915 121.223 -0.058 0.000 2.288 302 L HA 0.463 4.803 4.340 -0.000 0.000 0.283 302 L C 0.066 177.056 176.870 0.199 0.000 1.072 302 L CA -0.061 54.846 54.840 0.111 0.000 0.862 302 L CB 0.197 42.374 42.059 0.196 0.000 1.245 302 L HN 0.019 nan 8.230 nan 0.000 0.432 303 R N 5.237 125.753 120.500 0.027 0.000 2.536 303 R HA 0.415 4.755 4.340 -0.000 0.000 0.279 303 R C -1.676 174.249 176.300 -0.626 0.000 1.001 303 R CA -1.731 54.333 56.100 -0.060 0.000 1.027 303 R CB 0.298 30.592 30.300 -0.010 0.000 1.096 303 R HN 0.313 nan 8.270 nan 0.000 0.502 304 P HA -0.251 nan 4.420 nan 0.000 0.217 304 P C 1.211 177.636 177.300 -1.459 0.000 1.151 304 P CA 1.694 63.567 63.100 -2.044 0.000 0.849 304 P CB 0.120 31.155 31.700 -1.108 0.000 0.787 305 S N -1.851 113.409 115.700 -0.735 0.000 2.447 305 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 305 S C 1.816 176.165 174.600 -0.418 0.000 1.006 305 S CA 1.063 58.981 58.200 -0.469 0.000 0.957 305 S CB -1.261 61.778 63.200 -0.269 0.000 0.773 305 S HN 0.105 nan 8.310 nan 0.000 0.507 306 M N 0.060 119.392 119.600 -0.446 0.000 2.319 306 M HA 0.111 4.590 4.480 -0.000 0.000 0.265 306 M C 1.773 177.858 176.300 -0.358 0.000 1.068 306 M CA 1.227 56.372 55.300 -0.259 0.000 1.118 306 M CB -0.379 32.156 32.600 -0.108 0.000 1.395 306 M HN 0.787 nan 8.290 nan 0.000 0.435 307 W N -0.246 120.659 121.300 -0.658 0.000 3.220 307 W HA 0.280 4.939 4.660 -0.001 0.000 0.328 307 W C 0.029 176.235 176.519 -0.523 0.000 1.205 307 W CA -0.424 56.190 57.345 -1.219 0.000 1.773 307 W CB -0.689 27.897 29.460 -1.456 0.000 1.086 307 W HN -0.014 nan 8.180 nan 0.000 0.622 308 Q N 2.510 122.103 119.800 -0.345 0.000 3.181 308 Q HA 0.142 4.482 4.340 -0.000 0.000 0.293 308 Q C -0.420 175.545 176.000 -0.059 0.000 1.406 308 Q CA 0.357 56.072 55.803 -0.147 0.000 1.026 308 Q CB 0.012 28.603 28.738 -0.245 0.000 1.630 308 Q HN -0.122 nan 8.270 nan 0.000 0.553 309 K N 0.516 120.934 120.400 0.031 0.000 2.397 309 K HA 0.597 4.917 4.320 -0.000 0.000 0.253 309 K C 0.387 177.030 176.600 0.072 0.000 0.932 309 K CA -0.030 56.296 56.287 0.064 0.000 0.795 309 K CB 1.953 34.541 32.500 0.147 0.000 1.159 309 K HN 0.481 nan 8.250 nan 0.000 0.424 310 G N 2.936 111.759 108.800 0.038 0.000 2.552 310 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 310 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 310 G C 0.072 174.986 174.900 0.022 0.000 1.174 310 G CA -0.037 45.080 45.100 0.027 0.000 0.955 310 G HN 0.738 nan 8.290 nan 0.000 0.546 311 I N 0.590 121.172 120.570 0.021 0.000 2.638 311 I HA 0.692 4.862 4.170 -0.000 0.000 0.286 311 I C 0.819 176.956 176.117 0.033 0.000 1.088 311 I CA 0.251 61.563 61.300 0.020 0.000 1.397 311 I CB 0.508 38.516 38.000 0.012 0.000 1.414 311 I HN 1.207 nan 8.210 nan 0.000 0.566 312 E N 5.036 125.254 120.200 0.030 0.000 2.652 312 E HA 0.074 4.423 4.350 -0.000 0.000 0.255 312 E C -0.569 176.060 176.600 0.049 0.000 0.952 312 E CA 0.172 56.594 56.400 0.038 0.000 0.947 312 E CB -0.132 29.585 29.700 0.029 0.000 0.912 312 E HN 0.685 nan 8.360 nan 0.000 0.489 313 K N 1.770 122.211 120.400 0.068 0.000 2.156 313 K HA 0.481 4.801 4.320 -0.000 0.000 0.250 313 K C -0.158 176.481 176.600 0.065 0.000 0.955 313 K CA -0.868 55.459 56.287 0.067 0.000 0.855 313 K CB 1.584 34.134 32.500 0.083 0.000 1.101 313 K HN 0.365 nan 8.250 nan 0.000 0.434 314 K N 1.130 121.558 120.400 0.047 0.000 2.110 314 K HA 0.373 4.693 4.320 -0.000 0.000 0.263 314 K C -0.421 176.192 176.600 0.022 0.000 0.975 314 K CA -0.483 55.831 56.287 0.045 0.000 0.895 314 K CB 1.748 34.273 32.500 0.042 0.000 1.060 314 K HN 0.844 nan 8.250 nan 0.000 0.448 315 T N -2.236 112.339 114.554 0.035 0.000 2.887 315 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 315 T C -0.369 174.320 174.700 -0.017 0.000 1.021 315 T CA -0.851 61.253 62.100 0.006 0.000 1.000 315 T CB 1.460 70.433 68.868 0.176 0.000 1.034 315 T HN 0.124 nan 8.240 nan 0.000 0.467 316 V N 2.328 122.203 119.914 -0.065 0.000 2.483 316 V HA 0.550 4.670 4.120 -0.000 0.000 0.297 316 V C 0.049 176.052 176.094 -0.151 0.000 1.027 316 V CA -0.980 61.260 62.300 -0.100 0.000 0.855 316 V CB 1.597 33.370 31.823 -0.083 0.000 0.995 316 V HN 0.979 nan 8.190 nan 0.000 0.424 317 R N 4.527 124.912 120.500 -0.191 0.000 2.265 317 R HA 0.708 5.047 4.340 -0.000 0.000 0.319 317 R C -1.425 174.725 176.300 -0.251 0.000 1.006 317 R CA -0.464 55.526 56.100 -0.184 0.000 0.880 317 R CB 0.916 31.039 30.300 -0.296 0.000 1.077 317 R HN 0.641 nan 8.270 nan 0.000 0.454 318 I N 2.929 123.330 120.570 -0.283 0.000 2.410 318 I HA 0.310 4.480 4.170 -0.000 0.000 0.286 318 I C -0.481 175.522 176.117 -0.190 0.000 1.009 318 I CA -0.015 61.053 61.300 -0.386 0.000 1.111 318 I CB 1.966 39.495 38.000 -0.786 0.000 1.262 318 I HN 0.530 nan 8.210 nan 0.000 0.443 319 S N 6.527 122.139 115.700 -0.147 0.000 2.550 319 S HA 0.619 5.089 4.470 -0.000 0.000 0.270 319 S C -2.634 171.903 174.600 -0.104 0.000 1.145 319 S CA -1.191 56.960 58.200 -0.082 0.000 0.852 319 S CB 2.085 65.280 63.200 -0.008 0.000 1.119 319 S HN 0.356 nan 8.310 nan 0.000 0.465 320 P HA 0.212 nan 4.420 nan 0.000 0.243 320 P C -0.336 176.928 177.300 -0.061 0.000 1.668 320 P CA 0.064 63.107 63.100 -0.095 0.000 0.898 320 P CB -0.874 30.776 31.700 -0.085 0.000 1.637 321 T N -4.071 110.455 114.554 -0.047 0.000 2.923 321 T HA 0.383 4.732 4.350 -0.000 0.000 0.311 321 T C -0.279 174.406 174.700 -0.025 0.000 1.183 321 T CA -0.727 61.357 62.100 -0.027 0.000 1.020 321 T CB 1.166 70.028 68.868 -0.010 0.000 1.165 321 T HN -0.225 nan 8.240 nan 0.000 0.482 322 V N 2.799 122.702 119.914 -0.019 0.000 2.872 322 V HA 0.178 4.297 4.120 -0.000 0.000 0.307 322 V C 1.085 177.172 176.094 -0.012 0.000 1.072 322 V CA -0.470 61.818 62.300 -0.020 0.000 1.148 322 V CB 0.318 32.132 31.823 -0.015 0.000 0.954 322 V HN 1.015 nan 8.190 nan 0.000 0.490 323 N N 5.988 124.673 118.700 -0.025 0.000 2.427 323 N HA 0.096 4.835 4.740 -0.000 0.000 0.269 323 N C -1.135 174.370 175.510 -0.008 0.000 1.235 323 N CA -1.453 51.587 53.050 -0.017 0.000 0.934 323 N CB 1.009 39.453 38.487 -0.071 0.000 1.121 323 N HN 0.401 nan 8.380 nan 0.000 0.480 324 P HA 0.081 nan 4.420 nan 0.000 0.240 324 P C 0.176 177.471 177.300 -0.009 0.000 1.190 324 P CA 0.624 63.729 63.100 0.009 0.000 0.781 324 P CB -0.013 31.704 31.700 0.029 0.000 0.931 325 I N -3.757 116.796 120.570 -0.028 0.000 2.953 325 I HA 0.412 4.582 4.170 -0.000 0.000 0.325 325 I C -2.020 174.051 176.117 -0.077 0.000 1.421 325 I CA -2.481 58.766 61.300 -0.088 0.000 0.845 325 I CB 1.276 39.132 38.000 -0.239 0.000 2.186 325 I HN -0.341 nan 8.210 nan 0.000 0.604 326 P HA -0.167 nan 4.420 nan 0.000 0.225 326 P C 1.472 178.744 177.300 -0.046 0.000 1.148 326 P CA 1.049 64.117 63.100 -0.052 0.000 0.779 326 P CB 0.124 31.794 31.700 -0.049 0.000 0.780 327 R N 0.180 120.647 120.500 -0.055 0.000 2.148 327 R HA -0.035 4.304 4.340 -0.000 0.000 0.227 327 R C 1.544 177.807 176.300 -0.062 0.000 1.103 327 R CA 1.234 57.303 56.100 -0.051 0.000 0.983 327 R CB -0.200 30.072 30.300 -0.047 0.000 0.874 327 R HN 0.038 nan 8.270 nan 0.000 0.451 328 V N -1.051 118.806 119.914 -0.095 0.000 3.212 328 V HA 0.100 4.220 4.120 -0.000 0.000 0.244 328 V C -0.429 175.638 176.094 -0.045 0.000 1.151 328 V CA 0.199 62.424 62.300 -0.125 0.000 1.119 328 V CB 0.390 32.037 31.823 -0.293 0.000 0.838 328 V HN 0.193 nan 8.190 nan 0.000 0.470 329 Y N 2.244 122.443 120.300 -0.169 0.000 2.349 329 Y HA 0.535 5.085 4.550 -0.000 0.000 0.324 329 Y C -0.168 175.687 175.900 -0.076 0.000 1.005 329 Y CA -1.868 56.163 58.100 -0.116 0.000 1.240 329 Y CB 0.840 39.231 38.460 -0.115 0.000 1.117 329 Y HN 0.041 nan 8.280 nan 0.000 0.463 330 R N 7.247 127.789 120.500 0.069 0.000 2.471 330 R HA 0.307 4.647 4.340 -0.000 0.000 0.292 330 R C -2.566 173.662 176.300 -0.120 0.000 1.192 330 R CA -1.641 54.410 56.100 -0.081 0.000 1.257 330 R CB 0.673 30.957 30.300 -0.026 0.000 1.130 330 R HN 0.458 nan 8.270 nan 0.000 0.558 331 P HA -0.006 nan 4.420 nan 0.000 0.269 331 P C 0.075 177.300 177.300 -0.125 0.000 1.209 331 P CA -0.114 62.801 63.100 -0.308 0.000 0.776 331 P CB 1.098 32.453 31.700 -0.575 0.000 0.876 332 D N 0.035 120.408 120.400 -0.044 0.000 2.178 332 D HA -0.022 4.617 4.640 -0.000 0.000 0.202 332 D C 0.278 176.560 176.300 -0.029 0.000 0.974 332 D CA 1.393 55.382 54.000 -0.019 0.000 0.841 332 D CB 0.329 41.137 40.800 0.013 0.000 0.953 332 D HN 0.105 nan 8.370 nan 0.000 0.478 333 V N 1.333 121.218 119.914 -0.049 0.000 2.569 333 V HA 0.145 4.265 4.120 -0.000 0.000 0.301 333 V C -0.855 175.185 176.094 -0.091 0.000 1.044 333 V CA -0.903 61.375 62.300 -0.037 0.000 0.874 333 V CB 2.506 34.338 31.823 0.015 0.000 1.002 333 V HN -0.143 nan 8.190 nan 0.000 0.424 334 D N 3.436 123.784 120.400 -0.087 0.000 2.303 334 D HA 0.517 5.157 4.640 -0.000 0.000 0.236 334 D C -0.783 175.480 176.300 -0.061 0.000 1.068 334 D CA -0.090 53.839 54.000 -0.118 0.000 0.830 334 D CB 2.080 42.803 40.800 -0.128 0.000 1.109 334 D HN 0.281 nan 8.370 nan 0.000 0.496 335 V N 4.556 124.414 119.914 -0.094 0.000 2.284 335 V HA 0.226 4.346 4.120 -0.000 0.000 0.274 335 V C 0.126 176.164 176.094 -0.093 0.000 1.023 335 V CA -0.847 61.430 62.300 -0.038 0.000 0.808 335 V CB 1.443 33.215 31.823 -0.084 0.000 1.035 335 V HN 0.321 nan 8.190 nan 0.000 0.445 336 V N 4.661 124.551 119.914 -0.041 0.000 2.320 336 V HA 0.680 4.800 4.120 -0.000 0.000 0.265 336 V C 0.333 176.312 176.094 -0.192 0.000 1.048 336 V CA 0.445 62.688 62.300 -0.094 0.000 0.865 336 V CB 0.803 32.599 31.823 -0.046 0.000 1.043 336 V HN 0.988 nan 8.190 nan 0.000 0.474 337 T N 2.615 116.988 114.554 -0.302 0.000 2.654 337 T HA 0.209 4.558 4.350 -0.000 0.000 0.303 337 T C -1.646 172.827 174.700 -0.378 0.000 1.656 337 T CA -0.624 61.162 62.100 -0.524 0.000 0.971 337 T CB 1.556 69.698 68.868 -1.211 0.000 1.811 337 T HN 0.683 nan 8.240 nan 0.000 0.483 338 D N 0.452 120.612 120.400 -0.399 0.000 2.382 338 D HA 0.349 4.988 4.640 -0.000 0.000 0.245 338 D C 1.452 177.649 176.300 -0.172 0.000 1.120 338 D CA 0.053 53.917 54.000 -0.226 0.000 0.890 338 D CB 1.010 41.705 40.800 -0.175 0.000 1.201 338 D HN 0.249 nan 8.370 nan 0.000 0.433 339 V N 3.687 123.552 119.914 -0.082 0.000 2.307 339 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 339 V C 2.161 178.300 176.094 0.074 0.000 1.045 339 V CA 1.185 63.481 62.300 -0.006 0.000 1.024 339 V CB -0.671 31.146 31.823 -0.011 0.000 0.651 339 V HN 0.608 nan 8.190 nan 0.000 0.449 340 L N 1.035 122.275 121.223 0.029 0.000 2.042 340 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 340 L C 2.404 179.308 176.870 0.056 0.000 1.076 340 L CA 2.453 57.319 54.840 0.043 0.000 0.749 340 L CB -1.017 41.056 42.059 0.023 0.000 0.893 340 L HN 0.238 nan 8.230 nan 0.000 0.432 341 A N -1.187 121.643 122.820 0.016 0.000 1.969 341 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 341 A C 2.246 179.916 177.584 0.144 0.000 1.169 341 A CA 1.541 53.608 52.037 0.050 0.000 0.635 341 A CB -1.091 17.863 19.000 -0.077 0.000 0.810 341 A HN 0.583 nan 8.150 nan 0.000 0.445 342 F N 0.773 120.674 119.950 -0.082 0.000 2.134 342 F HA -0.138 4.389 4.527 -0.001 0.000 0.299 342 F C 2.054 177.970 175.800 0.193 0.000 1.097 342 F CA 1.998 60.048 58.000 0.083 0.000 1.264 342 F CB -0.343 38.612 39.000 -0.075 0.000 1.001 342 F HN 0.011 nan 8.300 nan 0.000 0.479 343 V N 0.731 120.639 119.914 -0.009 0.000 2.358 343 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 343 V C 2.280 178.359 176.094 -0.024 0.000 1.047 343 V CA 2.277 64.522 62.300 -0.090 0.000 1.035 343 V CB -0.766 31.100 31.823 0.071 0.000 0.658 343 V HN 0.367 nan 8.190 nan 0.000 0.452 344 E N -0.462 119.766 120.200 0.045 0.000 2.051 344 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 344 E C 2.161 178.799 176.600 0.063 0.000 0.991 344 E CA 1.651 58.084 56.400 0.055 0.000 0.799 344 E CB -0.259 29.489 29.700 0.080 0.000 0.748 344 E HN 0.781 nan 8.360 nan 0.000 0.449 345 H N -0.772 118.329 119.070 0.052 0.000 2.387 345 H HA -0.155 4.400 4.556 -0.001 0.000 0.299 345 H C 1.737 177.039 175.328 -0.044 0.000 1.090 345 H CA 1.473 57.544 56.048 0.039 0.000 1.332 345 H CB -0.025 29.839 29.762 0.171 0.000 1.386 345 H HN 0.112 nan 8.280 nan 0.000 0.516 346 F N 1.172 120.989 119.950 -0.221 0.000 2.206 346 F HA -0.072 4.455 4.527 -0.001 0.000 0.298 346 F C 2.217 177.835 175.800 -0.303 0.000 1.090 346 F CA 1.085 58.873 58.000 -0.352 0.000 1.323 346 F CB -0.044 38.544 39.000 -0.687 0.000 1.028 346 F HN 0.190 nan 8.300 nan 0.000 0.492 347 E N -0.368 119.746 120.200 -0.143 0.000 2.038 347 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 347 E C 2.212 178.644 176.600 -0.281 0.000 1.000 347 E CA 1.955 58.237 56.400 -0.197 0.000 0.803 347 E CB -0.863 28.778 29.700 -0.099 0.000 0.750 347 E HN 0.314 nan 8.360 nan 0.000 0.448 348 T N 1.274 115.674 114.554 -0.257 0.000 2.635 348 T HA -0.174 4.175 4.350 -0.000 0.000 0.267 348 T C 1.845 176.323 174.700 -0.369 0.000 1.040 348 T CA 1.898 63.827 62.100 -0.284 0.000 1.156 348 T CB -0.257 68.441 68.868 -0.284 0.000 0.863 348 T HN 0.296 nan 8.240 nan 0.000 0.430 349 A N 1.018 123.557 122.820 -0.468 0.000 2.209 349 A HA 0.045 4.365 4.320 -0.000 0.000 0.212 349 A C 2.065 179.191 177.584 -0.763 0.000 1.158 349 A CA 1.513 53.261 52.037 -0.481 0.000 0.742 349 A CB -0.486 18.285 19.000 -0.382 0.000 0.790 349 A HN 0.605 nan 8.150 nan 0.000 0.472 350 T N -4.898 109.090 114.554 -0.942 0.000 3.228 350 T HA 0.563 4.912 4.350 -0.000 0.000 0.278 350 T C 1.254 175.477 174.700 -0.795 0.000 1.014 350 T CA 0.596 61.800 62.100 -1.494 0.000 0.904 350 T CB 0.375 68.396 68.868 -1.412 0.000 1.110 350 T HN 0.334 nan 8.240 nan 0.000 0.541 351 A N 2.246 124.783 122.820 -0.473 0.000 1.930 351 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 351 A C 2.446 179.951 177.584 -0.131 0.000 1.175 351 A CA 1.597 53.488 52.037 -0.243 0.000 0.627 351 A CB -0.717 18.174 19.000 -0.182 0.000 0.815 351 A HN 0.774 nan 8.150 nan 0.000 0.443 352 S N -1.570 114.082 115.700 -0.079 0.000 2.556 352 S HA 0.329 4.798 4.470 -0.000 0.000 0.216 352 S C 0.010 174.728 174.600 0.196 0.000 0.970 352 S CA -0.634 57.594 58.200 0.048 0.000 0.912 352 S CB -0.358 62.876 63.200 0.057 0.000 0.790 352 S HN 0.094 nan 8.310 nan 0.000 0.504 353 F N 3.203 123.103 119.950 -0.083 0.000 2.518 353 F HA 0.546 5.073 4.527 -0.000 0.000 0.359 353 F C 1.492 177.260 175.800 -0.054 0.000 1.118 353 F CA -1.149 56.807 58.000 -0.073 0.000 1.287 353 F CB -0.202 38.741 39.000 -0.095 0.000 1.132 353 F HN 0.201 nan 8.300 nan 0.000 0.587 354 G N 1.381 110.242 108.800 0.102 0.000 2.442 354 G HA2 0.450 4.410 3.960 -0.000 0.000 0.249 354 G HA3 0.450 4.410 3.960 -0.000 0.000 0.249 354 G C -0.255 174.674 174.900 0.049 0.000 1.263 354 G CA -0.299 44.828 45.100 0.045 0.000 0.846 354 G HN 0.923 nan 8.290 nan 0.000 0.555 355 A N 2.189 125.030 122.820 0.036 0.000 2.492 355 A HA 0.460 4.779 4.320 -0.000 0.000 0.236 355 A C 0.659 178.246 177.584 0.005 0.000 1.078 355 A CA 0.150 52.204 52.037 0.028 0.000 0.773 355 A CB 0.371 19.385 19.000 0.022 0.000 1.023 355 A HN 0.555 nan 8.150 nan 0.000 0.504 356 K N 0.890 121.289 120.400 -0.002 0.000 2.166 356 K HA 0.333 4.652 4.320 -0.000 0.000 0.245 356 K C -0.584 175.983 176.600 -0.056 0.000 0.967 356 K CA -0.727 55.534 56.287 -0.043 0.000 0.863 356 K CB 1.063 33.538 32.500 -0.041 0.000 1.107 356 K HN 0.684 nan 8.250 nan 0.000 0.436 357 Q N 2.441 122.170 119.800 -0.119 0.000 2.314 357 Q HA 0.114 4.453 4.340 -0.000 0.000 0.257 357 Q C 0.183 176.121 176.000 -0.104 0.000 0.975 357 Q CA -0.095 55.653 55.803 -0.091 0.000 0.933 357 Q CB 0.876 29.568 28.738 -0.076 0.000 1.195 357 Q HN 0.464 nan 8.270 nan 0.000 0.426 358 R N 1.633 122.165 120.500 0.052 0.000 2.531 358 R HA 0.309 4.649 4.340 -0.000 0.000 0.273 358 R C -0.173 176.330 176.300 0.338 0.000 1.070 358 R CA -0.557 55.648 56.100 0.175 0.000 1.112 358 R CB 0.309 30.672 30.300 0.105 0.000 1.049 358 R HN 0.614 nan 8.270 nan 0.000 0.508 359 H N -1.340 117.984 119.070 0.422 0.000 2.547 359 H HA 0.255 4.810 4.556 -0.000 0.000 0.362 359 H C -0.912 174.568 175.328 0.253 0.000 1.181 359 H CA -0.977 55.264 56.048 0.321 0.000 1.376 359 H CB 0.871 30.723 29.762 0.151 0.000 1.488 359 H HN 0.643 nan 8.280 nan 0.000 0.583 360 D N 1.565 122.049 120.400 0.139 0.000 2.274 360 D HA 0.111 4.751 4.640 -0.000 0.000 0.239 360 D C 0.248 176.535 176.300 -0.022 0.000 1.104 360 D CA -0.778 53.234 54.000 0.021 0.000 0.840 360 D CB 0.593 41.426 40.800 0.054 0.000 1.100 360 D HN 0.714 nan 8.370 nan 0.000 0.477 361 I N 0.276 120.739 120.570 -0.178 0.000 3.817 361 I HA 0.325 4.495 4.170 -0.000 0.000 0.325 361 I C 0.878 176.899 176.117 -0.161 0.000 1.550 361 I CA -0.508 60.687 61.300 -0.176 0.000 1.100 361 I CB 0.625 38.413 38.000 -0.353 0.000 1.216 361 I HN 0.045 nan 8.210 nan 0.000 0.481 362 E N 2.333 122.465 120.200 -0.114 0.000 2.130 362 E HA -0.126 4.223 4.350 -0.000 0.000 0.196 362 E C -0.466 176.114 176.600 -0.034 0.000 0.998 362 E CA 1.524 57.877 56.400 -0.078 0.000 0.806 362 E CB -1.584 28.091 29.700 -0.042 0.000 0.738 362 E HN 0.493 nan 8.360 nan 0.000 0.459 363 P HA -0.144 nan 4.420 nan 0.000 0.215 363 P C 1.737 179.020 177.300 -0.028 0.000 1.153 363 P CA 0.788 63.970 63.100 0.137 0.000 0.853 363 P CB -0.069 31.811 31.700 0.299 0.000 0.788 364 L N -0.181 120.981 121.223 -0.101 0.000 2.027 364 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 364 L C 2.307 178.982 176.870 -0.326 0.000 1.074 364 L CA 1.790 56.389 54.840 -0.400 0.000 0.745 364 L CB -1.052 40.912 42.059 -0.159 0.000 0.898 364 L HN -0.205 nan 8.230 nan 0.000 0.433 365 R N -0.471 119.910 120.500 -0.198 0.000 2.096 365 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 365 R C 2.189 178.429 176.300 -0.100 0.000 1.127 365 R CA 1.318 57.333 56.100 -0.143 0.000 0.968 365 R CB -0.639 29.584 30.300 -0.129 0.000 0.861 365 R HN 0.535 nan 8.270 nan 0.000 0.440 366 A N 0.979 123.742 122.820 -0.095 0.000 1.930 366 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 366 A C 2.123 179.678 177.584 -0.049 0.000 1.175 366 A CA 1.251 53.260 52.037 -0.048 0.000 0.627 366 A CB -0.286 18.703 19.000 -0.018 0.000 0.815 366 A HN 0.084 nan 8.150 nan 0.000 0.443 367 R N 0.094 120.496 120.500 -0.164 0.000 2.092 367 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 367 R C 1.687 178.012 176.300 0.041 0.000 1.119 367 R CA 1.523 57.532 56.100 -0.152 0.000 0.970 367 R CB -0.713 29.190 30.300 -0.661 0.000 0.864 367 R HN 0.542 nan 8.270 nan 0.000 0.440 368 I N 0.055 120.611 120.570 -0.024 0.000 2.252 368 I HA -0.177 3.992 4.170 -0.000 0.000 0.245 368 I C 2.159 178.398 176.117 0.203 0.000 1.102 368 I CA 1.315 62.713 61.300 0.164 0.000 1.385 368 I CB -0.305 37.735 38.000 0.066 0.000 1.064 368 I HN 0.259 nan 8.210 nan 0.000 0.414 369 A N -0.170 122.706 122.820 0.094 0.000 2.019 369 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 369 A C 2.305 179.931 177.584 0.071 0.000 1.164 369 A CA 1.732 53.810 52.037 0.069 0.000 0.644 369 A CB -0.563 18.455 19.000 0.031 0.000 0.805 369 A HN 0.498 nan 8.150 nan 0.000 0.449 370 E N -1.115 119.143 120.200 0.095 0.000 2.072 370 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 370 E C 1.626 178.265 176.600 0.065 0.000 0.985 370 E CA 0.995 57.437 56.400 0.071 0.000 0.801 370 E CB -0.202 29.540 29.700 0.069 0.000 0.750 370 E HN 0.576 nan 8.360 nan 0.000 0.452 371 F N 1.106 121.047 119.950 -0.015 0.000 2.095 371 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 371 F C 2.321 178.069 175.800 -0.087 0.000 1.104 371 F CA 1.154 59.139 58.000 -0.026 0.000 1.232 371 F CB -0.369 38.448 39.000 -0.306 0.000 0.987 371 F HN 0.054 nan 8.300 nan 0.000 0.475 372 L N -0.904 120.300 121.223 -0.031 0.000 2.083 372 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 372 L C 2.461 179.318 176.870 -0.023 0.000 1.083 372 L CA 1.196 55.992 54.840 -0.073 0.000 0.752 372 L CB -0.789 41.257 42.059 -0.022 0.000 0.899 372 L HN 0.139 nan 8.230 nan 0.000 0.433 373 A N -1.633 121.186 122.820 -0.002 0.000 2.178 373 A HA -0.084 4.235 4.320 -0.000 0.000 0.211 373 A C 0.718 178.288 177.584 -0.023 0.000 1.157 373 A CA -0.128 51.904 52.037 -0.009 0.000 0.780 373 A CB -0.320 18.679 19.000 -0.001 0.000 0.828 373 A HN 0.295 nan 8.150 nan 0.000 0.476 374 D N 1.182 121.565 120.400 -0.028 0.000 3.167 374 D HA -0.073 4.567 4.640 -0.000 0.000 0.232 374 D C -1.590 174.684 176.300 -0.043 0.000 1.231 374 D CA -0.293 53.682 54.000 -0.040 0.000 0.845 374 D CB 0.818 41.589 40.800 -0.048 0.000 1.157 374 D HN 0.269 nan 8.370 nan 0.000 0.576 375 P HA 0.093 nan 4.420 nan 0.000 0.274 375 P C 0.183 177.434 177.300 -0.082 0.000 1.352 375 P CA -0.145 62.923 63.100 -0.052 0.000 0.947 375 P CB 0.315 31.987 31.700 -0.047 0.000 1.437 376 E N 0.603 120.729 120.200 -0.123 0.000 2.384 376 E HA 0.119 4.469 4.350 -0.000 0.000 0.266 376 E C -0.443 175.999 176.600 -0.264 0.000 1.012 376 E CA 0.251 56.488 56.400 -0.272 0.000 0.901 376 E CB 0.449 29.842 29.700 -0.512 0.000 0.967 376 E HN -0.068 nan 8.360 nan 0.000 0.435 377 T N 3.671 118.075 114.554 -0.249 0.000 2.806 377 T HA 0.258 4.608 4.350 -0.000 0.000 0.290 377 T C -1.030 173.529 174.700 -0.235 0.000 0.966 377 T CA -0.154 61.864 62.100 -0.138 0.000 1.060 377 T CB 0.120 68.939 68.868 -0.081 0.000 0.927 377 T HN 0.247 nan 8.240 nan 0.000 0.485 378 Y N 0.757 121.023 120.300 -0.057 0.000 2.453 378 Y HA 0.498 5.048 4.550 -0.001 0.000 0.326 378 Y C 1.634 177.509 175.900 -0.042 0.000 1.186 378 Y CA -0.698 57.374 58.100 -0.047 0.000 1.200 378 Y CB 0.532 38.960 38.460 -0.052 0.000 1.247 378 Y HN 0.787 nan 8.280 nan 0.000 0.482 379 E N 1.031 121.305 120.200 0.123 0.000 2.006 379 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 379 E C 0.959 177.585 176.600 0.044 0.000 0.993 379 E CA 1.857 58.289 56.400 0.053 0.000 0.808 379 E CB -1.044 28.678 29.700 0.037 0.000 0.764 379 E HN 0.817 nan 8.360 nan 0.000 0.449 380 D N 0.194 120.622 120.400 0.046 0.000 1.254 380 D HA 0.255 4.894 4.640 -0.000 0.000 0.325 380 D C 1.303 177.604 176.300 0.001 0.000 1.425 380 D CA 0.809 54.815 54.000 0.010 0.000 1.157 380 D CB -1.025 39.768 40.800 -0.012 0.000 2.265 380 D HN 0.558 nan 8.370 nan 0.000 0.705 381 G N -1.934 106.840 108.800 -0.043 0.000 2.828 381 G HA2 0.556 4.516 3.960 -0.000 0.000 0.244 381 G HA3 0.556 4.516 3.960 -0.000 0.000 0.244 381 G C -0.045 174.810 174.900 -0.075 0.000 1.365 381 G CA -0.878 44.183 45.100 -0.065 0.000 1.041 381 G HN 0.284 nan 8.290 nan 0.000 0.560 382 M N -0.113 119.424 119.600 -0.105 0.000 2.157 382 M HA 0.343 4.823 4.480 -0.000 0.000 0.304 382 M C 0.385 176.528 176.300 -0.263 0.000 1.171 382 M CA -0.012 55.209 55.300 -0.131 0.000 1.157 382 M CB 0.501 33.030 32.600 -0.117 0.000 1.403 382 M HN 0.186 nan 8.290 nan 0.000 0.473 383 R N 0.313 120.619 120.500 -0.323 0.000 2.604 383 R HA 0.321 4.660 4.340 -0.000 0.000 0.287 383 R C 0.776 176.926 176.300 -0.251 0.000 0.970 383 R CA -0.415 55.465 56.100 -0.368 0.000 0.946 383 R CB 1.175 31.141 30.300 -0.557 0.000 1.127 383 R HN 0.546 nan 8.270 nan 0.000 0.473 384 V N 2.456 122.287 119.914 -0.137 0.000 2.490 384 V HA -0.253 3.866 4.120 -0.000 0.000 0.250 384 V C 1.971 178.153 176.094 0.147 0.000 1.061 384 V CA 2.119 64.373 62.300 -0.077 0.000 1.064 384 V CB -0.943 30.710 31.823 -0.284 0.000 0.670 384 V HN 0.829 nan 8.190 nan 0.000 0.461 385 H N 0.111 119.262 119.070 0.136 0.000 2.353 385 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 385 H C 2.233 177.527 175.328 -0.056 0.000 1.090 385 H CA 1.287 57.351 56.048 0.027 0.000 1.327 385 H CB -0.413 29.280 29.762 -0.116 0.000 1.383 385 H HN 0.428 nan 8.280 nan 0.000 0.508 386 Q N 1.021 120.690 119.800 -0.218 0.000 2.170 386 Q HA -0.077 4.262 4.340 -0.000 0.000 0.203 386 Q C 2.582 178.542 176.000 -0.068 0.000 0.976 386 Q CA 1.361 57.071 55.803 -0.154 0.000 0.858 386 Q CB 0.050 28.673 28.738 -0.191 0.000 0.907 386 Q HN 0.356 nan 8.270 nan 0.000 0.433 387 V N 0.951 120.831 119.914 -0.056 0.000 2.358 387 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 387 V C 2.072 178.190 176.094 0.039 0.000 1.047 387 V CA 1.570 63.855 62.300 -0.024 0.000 1.035 387 V CB -0.340 31.456 31.823 -0.046 0.000 0.658 387 V HN 0.327 nan 8.190 nan 0.000 0.452 388 I N 0.125 120.752 120.570 0.095 0.000 2.353 388 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 388 I C 2.278 178.470 176.117 0.124 0.000 1.119 388 I CA 1.633 63.026 61.300 0.155 0.000 1.417 388 I CB -0.345 37.807 38.000 0.254 0.000 1.078 388 I HN 0.351 nan 8.210 nan 0.000 0.421 389 D N 0.647 121.090 120.400 0.071 0.000 2.104 389 D HA -0.182 4.457 4.640 -0.000 0.000 0.194 389 D C 2.222 178.558 176.300 0.061 0.000 0.994 389 D CA 1.747 55.779 54.000 0.052 0.000 0.830 389 D CB 0.144 40.948 40.800 0.006 0.000 0.959 389 D HN 0.166 nan 8.370 nan 0.000 0.452 390 S N -0.521 115.205 115.700 0.044 0.000 2.368 390 S HA -0.187 4.282 4.470 -0.000 0.000 0.225 390 S C 2.100 176.752 174.600 0.088 0.000 1.030 390 S CA 1.164 59.391 58.200 0.045 0.000 0.999 390 S CB -0.319 62.888 63.200 0.012 0.000 0.844 390 S HN 0.346 nan 8.310 nan 0.000 0.459 391 M N 1.693 121.363 119.600 0.117 0.000 2.117 391 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 391 M C 1.845 178.317 176.300 0.287 0.000 1.065 391 M CA 1.095 56.531 55.300 0.226 0.000 1.114 391 M CB -0.681 32.069 32.600 0.250 0.000 1.361 391 M HN 0.208 nan 8.290 nan 0.000 0.408 392 N N 0.081 118.898 118.700 0.195 0.000 2.061 392 N HA -0.137 4.603 4.740 -0.000 0.000 0.193 392 N C 1.688 177.275 175.510 0.128 0.000 1.030 392 N CA 1.934 55.074 53.050 0.151 0.000 0.856 392 N CB -0.957 37.601 38.487 0.118 0.000 1.023 392 N HN 0.326 nan 8.380 nan 0.000 0.424 393 T N 0.984 115.607 114.554 0.115 0.000 2.708 393 T HA -0.046 4.303 4.350 -0.000 0.000 0.266 393 T C 2.071 176.840 174.700 0.114 0.000 1.037 393 T CA 1.138 63.293 62.100 0.091 0.000 1.146 393 T CB -0.273 68.635 68.868 0.068 0.000 0.865 393 T HN 0.014 nan 8.240 nan 0.000 0.435 394 V N 1.158 121.174 119.914 0.171 0.000 2.667 394 V HA -0.066 4.054 4.120 -0.000 0.000 0.252 394 V C 2.306 178.562 176.094 0.270 0.000 1.065 394 V CA 1.182 63.615 62.300 0.222 0.000 1.083 394 V CB -0.599 31.368 31.823 0.240 0.000 0.692 394 V HN 0.369 nan 8.190 nan 0.000 0.468 395 M N 1.063 120.810 119.600 0.244 0.000 2.099 395 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 395 M C 2.092 178.374 176.300 -0.030 0.000 1.067 395 M CA 1.983 57.248 55.300 -0.058 0.000 1.124 395 M CB -0.767 31.754 32.600 -0.132 0.000 1.353 395 M HN 0.416 nan 8.290 nan 0.000 0.410 396 E N -0.323 119.893 120.200 0.027 0.000 2.118 396 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 396 E C 1.751 178.367 176.600 0.027 0.000 0.992 396 E CA 1.803 58.218 56.400 0.025 0.000 0.804 396 E CB -0.128 29.596 29.700 0.039 0.000 0.741 396 E HN 0.724 nan 8.360 nan 0.000 0.458 397 E N -0.260 119.968 120.200 0.046 0.000 2.046 397 E HA -0.120 4.229 4.350 -0.000 0.000 0.190 397 E C 1.904 178.525 176.600 0.036 0.000 0.982 397 E CA 1.035 57.461 56.400 0.043 0.000 0.800 397 E CB -0.055 29.680 29.700 0.058 0.000 0.756 397 E HN 0.369 nan 8.360 nan 0.000 0.449 398 A N 0.689 123.534 122.820 0.042 0.000 2.072 398 A HA 0.326 4.646 4.320 -0.000 0.000 0.216 398 A C 1.094 178.674 177.584 -0.006 0.000 1.156 398 A CA 0.543 52.600 52.037 0.033 0.000 0.701 398 A CB 0.186 19.234 19.000 0.081 0.000 0.816 398 A HN 0.204 nan 8.150 nan 0.000 0.458 399 A N 0.459 123.260 122.820 -0.031 0.000 2.312 399 A HA 0.578 4.898 4.320 -0.000 0.000 0.326 399 A C -0.167 177.408 177.584 -0.015 0.000 1.172 399 A CA -0.652 51.361 52.037 -0.040 0.000 0.821 399 A CB 0.457 19.411 19.000 -0.077 0.000 1.166 399 A HN 0.261 nan 8.150 nan 0.000 0.493 400 E N 1.666 121.860 120.200 -0.010 0.000 2.422 400 E HA 0.182 4.532 4.350 -0.000 0.000 0.260 400 E C -2.214 174.386 176.600 0.000 0.000 1.108 400 E CA -1.364 55.036 56.400 -0.001 0.000 0.943 400 E CB -0.222 29.479 29.700 0.002 0.000 0.961 400 E HN 0.405 nan 8.360 nan 0.000 0.443 401 P HA 0.024 nan 4.420 nan 0.000 0.268 401 P C 0.588 177.894 177.300 0.010 0.000 1.205 401 P CA 0.513 63.620 63.100 0.010 0.000 0.771 401 P CB 0.358 32.066 31.700 0.013 0.000 0.858 402 G N 1.058 109.866 108.800 0.013 0.000 2.153 402 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.252 402 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.252 402 G C -0.041 174.865 174.900 0.010 0.000 0.994 402 G CA 0.108 45.216 45.100 0.012 0.000 0.698 402 G HN 0.615 nan 8.290 nan 0.000 0.521 403 E N -1.285 118.917 120.200 0.005 0.000 2.431 403 E HA 0.638 4.988 4.350 -0.000 0.000 0.268 403 E C 0.366 176.956 176.600 -0.017 0.000 0.953 403 E CA -0.505 55.895 56.400 -0.001 0.000 0.810 403 E CB 1.957 31.654 29.700 -0.004 0.000 1.369 403 E HN 1.567 nan 8.360 nan 0.000 0.440 404 G N 0.229 109.010 108.800 -0.031 0.000 2.705 404 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 404 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 404 G C -0.815 174.065 174.900 -0.034 0.000 1.285 404 G CA -0.526 44.529 45.100 -0.075 0.000 0.800 404 G HN 0.378 nan 8.290 nan 0.000 0.611 405 T N 1.492 116.012 114.554 -0.057 0.000 2.937 405 T HA 0.598 4.948 4.350 -0.000 0.000 0.297 405 T C 0.248 174.960 174.700 0.019 0.000 0.991 405 T CA -0.438 61.670 62.100 0.013 0.000 0.990 405 T CB 1.312 70.194 68.868 0.025 0.000 0.991 405 T HN 0.663 nan 8.240 nan 0.000 0.440 406 I N 3.139 123.778 120.570 0.114 0.000 2.321 406 I HA 0.446 4.615 4.170 -0.000 0.000 0.291 406 I C -0.283 175.910 176.117 0.126 0.000 0.998 406 I CA -0.919 60.505 61.300 0.206 0.000 1.227 406 I CB 1.433 39.644 38.000 0.351 0.000 1.368 406 I HN 0.271 nan 8.210 nan 0.000 0.466 407 V N 5.092 125.065 119.914 0.098 0.000 2.483 407 V HA 0.401 4.520 4.120 -0.000 0.000 0.295 407 V C 0.034 176.164 176.094 0.059 0.000 1.035 407 V CA -0.389 61.909 62.300 -0.003 0.000 0.896 407 V CB 1.806 33.645 31.823 0.027 0.000 0.986 407 V HN 0.754 nan 8.190 nan 0.000 0.447 408 S N 2.758 118.442 115.700 -0.027 0.000 2.561 408 S HA 0.351 4.821 4.470 -0.000 0.000 0.303 408 S C -0.427 174.321 174.600 0.245 0.000 1.110 408 S CA -0.689 57.610 58.200 0.165 0.000 1.034 408 S CB 1.244 64.532 63.200 0.146 0.000 1.010 408 S HN 0.885 nan 8.310 nan 0.000 0.482 409 D N 2.204 122.855 120.400 0.419 0.000 2.274 409 D HA 0.204 4.844 4.640 -0.000 0.000 0.256 409 D C -0.008 176.457 176.300 0.276 0.000 1.274 409 D CA 0.007 54.282 54.000 0.458 0.000 0.998 409 D CB 0.441 41.557 40.800 0.528 0.000 1.139 409 D HN 0.431 nan 8.370 nan 0.000 0.540 410 I N -0.653 120.081 120.570 0.272 0.000 2.562 410 I HA 0.609 4.778 4.170 -0.000 0.000 0.301 410 I C 0.997 177.170 176.117 0.093 0.000 1.003 410 I CA -0.317 60.990 61.300 0.012 0.000 1.127 410 I CB 0.550 38.593 38.000 0.073 0.000 1.304 410 I HN 0.606 nan 8.210 nan 0.000 0.446 411 G N 3.659 112.338 108.800 -0.202 0.000 2.356 411 G HA2 0.044 4.004 3.960 -0.000 0.000 0.288 411 G HA3 0.044 4.004 3.960 -0.000 0.000 0.288 411 G C -0.369 174.419 174.900 -0.186 0.000 1.302 411 G CA -0.637 44.462 45.100 -0.003 0.000 0.887 411 G HN 0.325 nan 8.290 nan 0.000 0.521 412 F N 0.941 120.807 119.950 -0.139 0.000 2.134 412 F HA 0.056 4.583 4.527 -0.001 0.000 0.299 412 F C 2.658 178.409 175.800 -0.082 0.000 1.097 412 F CA 2.262 60.127 58.000 -0.226 0.000 1.264 412 F CB -0.670 38.072 39.000 -0.431 0.000 1.001 412 F HN 0.480 nan 8.300 nan 0.000 0.479 413 F N 0.454 120.432 119.950 0.047 0.000 2.236 413 F HA -0.145 4.382 4.527 -0.000 0.000 0.302 413 F C 2.314 178.161 175.800 0.078 0.000 1.073 413 F CA 1.578 59.606 58.000 0.048 0.000 1.336 413 F CB -1.255 37.822 39.000 0.127 0.000 1.040 413 F HN -0.077 nan 8.300 nan 0.000 0.507 414 R N 0.536 120.334 120.500 -1.170 0.000 2.092 414 R HA -0.162 4.177 4.340 -0.000 0.000 0.231 414 R C 2.048 178.039 176.300 -0.515 0.000 1.119 414 R CA 1.873 57.464 56.100 -0.847 0.000 0.970 414 R CB -0.936 28.774 30.300 -0.984 0.000 0.864 414 R HN 0.473 nan 8.270 nan 0.000 0.440 415 H N -1.022 117.809 119.070 -0.398 0.000 2.495 415 H HA -0.084 4.472 4.556 -0.000 0.000 0.287 415 H C 1.627 176.757 175.328 -0.330 0.000 1.033 415 H CA 1.009 56.816 56.048 -0.402 0.000 1.307 415 H CB -0.114 29.367 29.762 -0.469 0.000 1.401 415 H HN 0.232 nan 8.280 nan 0.000 0.555 416 Y N 0.881 121.044 120.300 -0.228 0.000 2.181 416 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 416 Y C 2.856 178.711 175.900 -0.074 0.000 1.146 416 Y CA 1.119 59.173 58.100 -0.077 0.000 1.164 416 Y CB -0.735 37.847 38.460 0.203 0.000 0.982 416 Y HN 0.205 nan 8.280 nan 0.000 0.515 417 G N -0.413 108.451 108.800 0.107 0.000 2.476 417 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.218 417 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.218 417 G C 1.838 176.401 174.900 -0.561 0.000 1.164 417 G CA 1.552 46.630 45.100 -0.035 0.000 0.768 417 G HN 0.300 nan 8.290 nan 0.000 0.560 418 V N 0.661 120.292 119.914 -0.471 0.000 2.407 418 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 418 V C 2.863 178.671 176.094 -0.477 0.000 1.055 418 V CA 1.546 63.542 62.300 -0.507 0.000 1.049 418 V CB -0.300 31.311 31.823 -0.353 0.000 0.662 418 V HN 0.344 nan 8.190 nan 0.000 0.455 419 L N -2.039 118.834 121.223 -0.584 0.000 2.162 419 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 419 L C 2.030 178.512 176.870 -0.647 0.000 1.086 419 L CA 1.251 55.623 54.840 -0.781 0.000 0.778 419 L CB -0.229 40.997 42.059 -1.387 0.000 0.928 419 L HN 0.277 nan 8.230 nan 0.000 0.446 420 F N -0.523 119.327 119.950 -0.167 0.000 2.712 420 F HA 0.356 4.883 4.527 -0.000 0.000 0.297 420 F C 1.322 177.073 175.800 -0.082 0.000 1.114 420 F CA -0.820 57.132 58.000 -0.080 0.000 1.305 420 F CB -0.465 38.548 39.000 0.022 0.000 1.086 420 F HN -0.200 nan 8.300 nan 0.000 0.599 421 A N 1.653 124.441 122.820 -0.054 0.000 2.388 421 A HA 0.396 4.716 4.320 -0.000 0.000 0.257 421 A C 0.616 178.179 177.584 -0.035 0.000 1.095 421 A CA -0.454 51.555 52.037 -0.046 0.000 0.791 421 A CB 0.141 19.021 19.000 -0.199 0.000 1.029 421 A HN 0.311 nan 8.150 nan 0.000 0.489 422 R N 1.576 122.116 120.500 0.067 0.000 2.438 422 R HA 0.511 4.850 4.340 -0.000 0.000 0.287 422 R C -0.576 175.778 176.300 0.090 0.000 1.077 422 R CA 0.399 56.540 56.100 0.068 0.000 1.034 422 R CB 0.535 30.882 30.300 0.079 0.000 0.993 422 R HN 0.850 nan 8.270 nan 0.000 0.459 423 A N 3.869 126.735 122.820 0.077 0.000 2.446 423 A HA 0.203 4.523 4.320 -0.000 0.000 0.282 423 A C -0.875 176.749 177.584 0.067 0.000 1.102 423 A CA -0.743 51.356 52.037 0.103 0.000 0.737 423 A CB 1.552 20.640 19.000 0.147 0.000 1.212 423 A HN 0.865 nan 8.150 nan 0.000 0.434 424 D N 1.303 121.736 120.400 0.054 0.000 2.369 424 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 424 D C 0.579 176.895 176.300 0.026 0.000 1.077 424 D CA 0.869 54.891 54.000 0.037 0.000 0.842 424 D CB 0.376 41.193 40.800 0.030 0.000 0.947 424 D HN 0.770 nan 8.370 nan 0.000 0.509 425 Q N -1.357 118.459 119.800 0.028 0.000 2.565 425 Q HA 0.578 4.917 4.340 -0.000 0.000 0.294 425 Q C -2.923 173.067 176.000 -0.017 0.000 1.005 425 Q CA -2.240 53.564 55.803 0.002 0.000 0.771 425 Q CB 1.330 30.072 28.738 0.007 0.000 1.486 425 Q HN -0.267 nan 8.270 nan 0.000 0.422 426 P HA -0.009 nan 4.420 nan 0.000 0.264 426 P C -0.872 176.320 177.300 -0.180 0.000 1.183 426 P CA 0.401 63.340 63.100 -0.267 0.000 0.763 426 P CB -0.044 31.384 31.700 -0.452 0.000 0.807 427 F N 0.662 120.653 119.950 0.068 0.000 3.084 427 F HA -0.186 4.341 4.527 -0.001 0.000 0.286 427 F C 1.625 177.465 175.800 0.067 0.000 0.855 427 F CA 1.113 59.151 58.000 0.063 0.000 1.091 427 F CB -2.658 36.364 39.000 0.036 0.000 1.177 427 F HN 0.485 nan 8.300 nan 0.000 0.542 428 G N -1.322 107.610 108.800 0.220 0.000 2.464 428 G HA2 0.064 4.023 3.960 -0.000 0.000 0.217 428 G HA3 0.064 4.023 3.960 -0.000 0.000 0.217 428 G C 0.163 175.215 174.900 0.254 0.000 1.138 428 G CA 0.485 45.691 45.100 0.177 0.000 0.793 428 G HN 0.331 nan 8.290 nan 0.000 0.539 429 F N 0.795 120.825 119.950 0.133 0.000 2.427 429 F HA 0.698 5.224 4.527 -0.001 0.000 0.348 429 F C -1.281 174.621 175.800 0.170 0.000 1.125 429 F CA -1.688 56.393 58.000 0.134 0.000 0.989 429 F CB 1.649 40.718 39.000 0.115 0.000 1.165 429 F HN -0.211 nan 8.300 nan 0.000 0.442 430 L N 5.567 126.530 121.223 -0.432 0.000 2.313 430 L HA 0.707 5.047 4.340 -0.000 0.000 0.283 430 L C -0.197 176.422 176.870 -0.420 0.000 1.013 430 L CA -0.036 54.636 54.840 -0.279 0.000 0.816 430 L CB 1.797 43.802 42.059 -0.091 0.000 1.236 430 L HN 0.757 nan 8.230 nan 0.000 0.419 431 T N 1.158 115.566 114.554 -0.242 0.000 2.762 431 T HA 0.381 4.730 4.350 -0.000 0.000 0.301 431 T C -1.201 173.309 174.700 -0.316 0.000 1.299 431 T CA -0.492 61.495 62.100 -0.189 0.000 1.005 431 T CB 1.601 70.292 68.868 -0.296 0.000 1.377 431 T HN 0.401 nan 8.240 nan 0.000 0.504 432 S N 1.114 116.331 115.700 -0.805 0.000 2.399 432 S HA 0.571 5.041 4.470 -0.000 0.000 0.301 432 S C 1.055 175.511 174.600 -0.240 0.000 1.093 432 S CA 0.022 57.807 58.200 -0.691 0.000 1.077 432 S CB 0.047 62.593 63.200 -1.090 0.000 0.980 432 S HN 0.811 nan 8.310 nan 0.000 0.494 433 A N 4.394 127.154 122.820 -0.100 0.000 2.030 433 A HA 0.314 4.633 4.320 -0.000 0.000 0.215 433 A C 1.861 179.392 177.584 -0.088 0.000 1.164 433 A CA 0.924 52.948 52.037 -0.023 0.000 0.697 433 A CB -0.649 18.275 19.000 -0.126 0.000 0.827 433 A HN 0.842 nan 8.150 nan 0.000 0.457 434 G N -1.604 107.134 108.800 -0.104 0.000 2.486 434 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.210 434 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.210 434 G C 1.595 176.448 174.900 -0.078 0.000 1.168 434 G CA 1.131 46.171 45.100 -0.100 0.000 0.820 434 G HN 0.531 nan 8.290 nan 0.000 0.544 435 C N -0.210 119.048 119.300 -0.070 0.000 2.487 435 C HA 0.418 4.877 4.460 -0.000 0.000 0.311 435 C C 1.638 176.598 174.990 -0.051 0.000 1.367 435 C CA 1.235 60.226 59.018 -0.045 0.000 1.865 435 C CB -0.414 27.324 27.740 -0.003 0.000 2.277 435 C HN 0.466 nan 8.230 nan 0.000 0.521 436 S N 1.496 117.143 115.700 -0.088 0.000 3.706 436 S HA -0.160 4.310 4.470 -0.000 0.000 0.363 436 S C 0.093 174.677 174.600 -0.027 0.000 0.999 436 S CA 0.735 58.881 58.200 -0.089 0.000 1.143 436 S CB -1.929 61.243 63.200 -0.046 0.000 0.902 436 S HN 0.916 nan 8.310 nan 0.000 0.476 437 S N 2.018 117.745 115.700 0.046 0.000 2.531 437 S HA 0.524 4.993 4.470 -0.000 0.000 0.279 437 S C 0.630 175.398 174.600 0.280 0.000 1.305 437 S CA -0.758 57.508 58.200 0.109 0.000 1.058 437 S CB -0.013 63.281 63.200 0.157 0.000 0.899 437 S HN 0.515 nan 8.310 nan 0.000 0.493 438 F N 3.443 123.409 119.950 0.028 0.000 2.485 438 F HA 0.560 5.087 4.527 -0.000 0.000 0.327 438 F C 1.328 177.185 175.800 0.095 0.000 1.203 438 F CA -1.081 56.976 58.000 0.094 0.000 1.295 438 F CB -1.194 37.861 39.000 0.092 0.000 1.191 438 F HN 0.843 nan 8.300 nan 0.000 0.588 439 G N 1.135 110.059 108.800 0.207 0.000 2.184 439 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.264 439 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.264 439 G C 0.731 175.906 174.900 0.458 0.000 0.975 439 G CA 0.569 45.773 45.100 0.173 0.000 0.642 439 G HN 1.055 nan 8.290 nan 0.000 0.536 440 Y N 1.476 121.992 120.300 0.359 0.000 2.274 440 Y HA 0.091 4.641 4.550 -0.000 0.000 0.290 440 Y C 2.529 178.469 175.900 0.067 0.000 1.145 440 Y CA 2.507 60.742 58.100 0.225 0.000 1.203 440 Y CB -0.488 38.084 38.460 0.187 0.000 0.984 440 Y HN 0.218 nan 8.280 nan 0.000 0.533 441 G N 0.793 109.712 108.800 0.198 0.000 2.459 441 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.217 441 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.217 441 G C 1.767 176.642 174.900 -0.041 0.000 1.183 441 G CA 1.378 46.540 45.100 0.103 0.000 0.776 441 G HN 0.476 nan 8.290 nan 0.000 0.552 442 I N 1.945 122.505 120.570 -0.015 0.000 2.099 442 I HA -0.146 4.024 4.170 -0.000 0.000 0.239 442 I C 0.159 176.184 176.117 -0.153 0.000 1.066 442 I CA 1.578 62.850 61.300 -0.048 0.000 1.324 442 I CB -0.924 37.029 38.000 -0.077 0.000 1.037 442 I HN 0.214 nan 8.210 nan 0.000 0.401 443 P HA -0.133 nan 4.420 nan 0.000 0.217 443 P C 1.350 178.384 177.300 -0.443 0.000 1.150 443 P CA 1.831 64.711 63.100 -0.365 0.000 0.832 443 P CB -0.055 31.346 31.700 -0.499 0.000 0.787 444 A N 0.414 122.883 122.820 -0.586 0.000 1.972 444 A HA -0.009 4.310 4.320 -0.000 0.000 0.219 444 A C 2.416 179.819 177.584 -0.302 0.000 1.169 444 A CA 1.944 53.621 52.037 -0.600 0.000 0.635 444 A CB -1.347 17.083 19.000 -0.950 0.000 0.810 444 A HN 0.247 nan 8.150 nan 0.000 0.446 445 A N -0.321 122.379 122.820 -0.200 0.000 1.975 445 A HA 0.121 4.440 4.320 -0.000 0.000 0.215 445 A C 2.047 179.590 177.584 -0.068 0.000 1.170 445 A CA 1.014 53.002 52.037 -0.081 0.000 0.656 445 A CB -0.438 18.556 19.000 -0.010 0.000 0.821 445 A HN 0.450 nan 8.150 nan 0.000 0.449 446 I N -0.112 120.397 120.570 -0.101 0.000 2.179 446 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 446 I C 2.710 178.778 176.117 -0.081 0.000 1.088 446 I CA 1.336 62.593 61.300 -0.071 0.000 1.357 446 I CB -0.587 37.358 38.000 -0.091 0.000 1.051 446 I HN 0.398 nan 8.210 nan 0.000 0.409 447 G N 0.211 108.902 108.800 -0.182 0.000 2.422 447 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 447 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 447 G C 1.821 176.666 174.900 -0.090 0.000 1.146 447 G CA 0.831 45.826 45.100 -0.174 0.000 0.769 447 G HN 0.502 nan 8.290 nan 0.000 0.547 448 A N 0.055 122.820 122.820 -0.090 0.000 1.872 448 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 448 A C 2.305 179.884 177.584 -0.008 0.000 1.187 448 A CA 2.112 54.123 52.037 -0.045 0.000 0.614 448 A CB -0.438 18.537 19.000 -0.042 0.000 0.826 448 A HN 0.371 nan 8.150 nan 0.000 0.442 449 Q N -0.301 119.497 119.800 -0.002 0.000 2.124 449 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 449 Q C 1.938 177.954 176.000 0.026 0.000 0.977 449 Q CA 2.117 57.931 55.803 0.020 0.000 0.850 449 Q CB -0.452 28.304 28.738 0.031 0.000 0.901 449 Q HN 0.692 nan 8.270 nan 0.000 0.429 450 M N -1.186 118.432 119.600 0.030 0.000 2.254 450 M HA -0.025 4.455 4.480 -0.000 0.000 0.265 450 M C 1.950 178.273 176.300 0.039 0.000 1.066 450 M CA 1.276 56.603 55.300 0.046 0.000 1.123 450 M CB -0.118 32.534 32.600 0.087 0.000 1.388 450 M HN 0.281 nan 8.290 nan 0.000 0.425 451 A N 0.362 123.200 122.820 0.031 0.000 2.067 451 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 451 A C 1.105 178.708 177.584 0.033 0.000 1.156 451 A CA 0.813 52.869 52.037 0.032 0.000 0.683 451 A CB -0.102 18.913 19.000 0.024 0.000 0.808 451 A HN 0.422 nan 8.150 nan 0.000 0.455 452 R N -0.581 119.936 120.500 0.028 0.000 2.629 452 R HA 0.212 4.551 4.340 -0.000 0.000 0.277 452 R C -2.323 173.991 176.300 0.023 0.000 1.637 452 R CA -1.523 54.593 56.100 0.027 0.000 1.663 452 R CB 0.908 31.224 30.300 0.026 0.000 1.228 452 R HN 0.175 nan 8.270 nan 0.000 0.632 453 P HA -0.139 nan 4.420 nan 0.000 0.219 453 P C 0.128 177.441 177.300 0.022 0.000 1.146 453 P CA 1.231 64.344 63.100 0.023 0.000 0.808 453 P CB 0.361 32.074 31.700 0.021 0.000 0.779 454 D N -1.515 118.896 120.400 0.018 0.000 2.369 454 D HA 0.059 4.699 4.640 -0.000 0.000 0.211 454 D C 0.683 176.989 176.300 0.011 0.000 1.077 454 D CA 0.269 54.278 54.000 0.016 0.000 0.842 454 D CB 0.311 41.120 40.800 0.014 0.000 0.947 454 D HN 0.355 nan 8.370 nan 0.000 0.509 455 Q N 1.237 121.042 119.800 0.008 0.000 2.227 455 Q HA 0.373 4.713 4.340 -0.000 0.000 0.245 455 Q C -2.447 173.545 176.000 -0.015 0.000 0.926 455 Q CA -1.886 53.912 55.803 -0.008 0.000 0.895 455 Q CB 1.093 29.825 28.738 -0.010 0.000 1.230 455 Q HN -0.101 nan 8.270 nan 0.000 0.450 456 P HA 0.058 nan 4.420 nan 0.000 0.271 456 P C -0.998 176.229 177.300 -0.120 0.000 1.218 456 P CA -0.033 63.017 63.100 -0.083 0.000 0.780 456 P CB 0.646 32.216 31.700 -0.216 0.000 0.901 457 T N 2.854 117.404 114.554 -0.008 0.000 3.066 457 T HA 0.448 4.798 4.350 -0.000 0.000 0.318 457 T C -0.943 173.949 174.700 0.320 0.000 0.979 457 T CA -0.201 61.938 62.100 0.065 0.000 1.025 457 T CB -0.092 68.820 68.868 0.074 0.000 1.002 457 T HN 0.027 nan 8.240 nan 0.000 0.453 458 F N 2.605 122.594 119.950 0.064 0.000 2.458 458 F HA 0.776 5.303 4.527 -0.000 0.000 0.330 458 F C -0.042 175.798 175.800 0.068 0.000 1.082 458 F CA -2.157 55.884 58.000 0.069 0.000 0.995 458 F CB 1.451 40.501 39.000 0.082 0.000 1.170 458 F HN 0.315 nan 8.300 nan 0.000 0.478 459 L N 4.506 125.872 121.223 0.238 0.000 2.362 459 L HA 0.665 5.004 4.340 -0.000 0.000 0.275 459 L C -1.345 175.588 176.870 0.104 0.000 0.998 459 L CA -0.522 54.412 54.840 0.156 0.000 0.820 459 L CB 1.635 43.764 42.059 0.117 0.000 1.270 459 L HN 0.585 nan 8.230 nan 0.000 0.415 460 I N 4.677 125.334 120.570 0.145 0.000 2.433 460 I HA 0.874 5.043 4.170 -0.000 0.000 0.292 460 I C -0.922 175.233 176.117 0.064 0.000 1.001 460 I CA -0.268 61.074 61.300 0.069 0.000 1.119 460 I CB 1.484 39.585 38.000 0.169 0.000 1.289 460 I HN 0.912 nan 8.210 nan 0.000 0.438 461 A N 4.926 127.600 122.820 -0.245 0.000 2.572 461 A HA 0.785 5.104 4.320 -0.000 0.000 0.295 461 A C -0.436 176.658 177.584 -0.816 0.000 1.072 461 A CA -0.341 51.483 52.037 -0.355 0.000 0.691 461 A CB 1.290 20.337 19.000 0.078 0.000 1.291 461 A HN 0.827 nan 8.150 nan 0.000 0.404 462 G N -0.211 108.001 108.800 -0.980 0.000 2.580 462 G HA2 0.414 4.374 3.960 -0.000 0.000 0.278 462 G HA3 0.414 4.374 3.960 -0.000 0.000 0.278 462 G C 0.457 175.229 174.900 -0.213 0.000 1.212 462 G CA 0.383 45.159 45.100 -0.541 0.000 0.939 462 G HN 0.814 nan 8.290 nan 0.000 0.513 463 D N -0.409 119.914 120.400 -0.129 0.000 2.149 463 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 463 D C 2.199 178.575 176.300 0.126 0.000 0.972 463 D CA 1.186 55.131 54.000 -0.092 0.000 0.835 463 D CB -0.836 40.025 40.800 0.101 0.000 0.966 463 D HN 0.469 nan 8.370 nan 0.000 0.476 464 G N 1.129 110.097 108.800 0.280 0.000 2.511 464 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 464 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 464 G C 1.783 176.740 174.900 0.096 0.000 1.218 464 G CA 1.453 46.763 45.100 0.350 0.000 0.788 464 G HN 0.469 nan 8.290 nan 0.000 0.560 465 G N -0.099 108.812 108.800 0.185 0.000 2.408 465 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.217 465 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.217 465 G C 1.666 176.508 174.900 -0.098 0.000 1.150 465 G CA 0.874 45.980 45.100 0.009 0.000 0.776 465 G HN 0.353 nan 8.290 nan 0.000 0.542 466 F N 0.654 120.538 119.950 -0.110 0.000 2.146 466 F HA -0.007 4.520 4.527 -0.001 0.000 0.298 466 F C 2.463 178.242 175.800 -0.034 0.000 1.096 466 F CA 1.718 59.648 58.000 -0.117 0.000 1.275 466 F CB -0.151 38.691 39.000 -0.262 0.000 1.008 466 F HN 0.226 nan 8.300 nan 0.000 0.480 467 H N -0.145 118.903 119.070 -0.037 0.000 2.457 467 H HA -0.055 4.501 4.556 -0.001 0.000 0.294 467 H C 2.516 177.663 175.328 -0.303 0.000 1.064 467 H CA 1.113 57.117 56.048 -0.074 0.000 1.330 467 H CB -0.481 29.309 29.762 0.048 0.000 1.395 467 H HN 0.361 nan 8.280 nan 0.000 0.541 468 S N -0.669 114.757 115.700 -0.458 0.000 2.400 468 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 468 S C 1.506 175.799 174.600 -0.510 0.000 1.025 468 S CA 1.649 59.441 58.200 -0.680 0.000 0.993 468 S CB -0.095 62.193 63.200 -1.519 0.000 0.808 468 S HN 0.438 nan 8.310 nan 0.000 0.478 469 N N 0.086 118.528 118.700 -0.429 0.000 2.466 469 N HA 0.243 4.983 4.740 -0.000 0.000 0.272 469 N C 0.790 176.076 175.510 -0.373 0.000 1.455 469 N CA 0.523 53.382 53.050 -0.319 0.000 0.875 469 N CB 0.677 39.084 38.487 -0.134 0.000 1.372 469 N HN 0.407 nan 8.380 nan 0.000 0.492 470 S N -2.123 113.324 115.700 -0.423 0.000 2.489 470 S HA 0.012 4.481 4.470 -0.000 0.000 0.228 470 S C 1.659 176.133 174.600 -0.211 0.000 0.995 470 S CA 0.527 58.441 58.200 -0.476 0.000 0.934 470 S CB -0.080 63.034 63.200 -0.144 0.000 0.771 470 S HN 0.121 nan 8.310 nan 0.000 0.522 471 S N 1.911 117.521 115.700 -0.150 0.000 2.442 471 S HA -0.035 4.435 4.470 -0.000 0.000 0.236 471 S C 1.124 175.703 174.600 -0.036 0.000 1.007 471 S CA 0.890 59.052 58.200 -0.063 0.000 0.965 471 S CB -0.367 62.804 63.200 -0.048 0.000 0.773 471 S HN 0.537 nan 8.310 nan 0.000 0.504 472 D N 0.999 121.361 120.400 -0.062 0.000 2.336 472 D HA 0.133 4.773 4.640 -0.000 0.000 0.229 472 D C 1.467 177.757 176.300 -0.017 0.000 1.061 472 D CA 0.050 54.031 54.000 -0.031 0.000 0.875 472 D CB 0.014 40.791 40.800 -0.038 0.000 0.904 472 D HN 0.341 nan 8.370 nan 0.000 0.525 473 L N 0.750 121.968 121.223 -0.009 0.000 2.081 473 L HA -0.179 4.160 4.340 -0.000 0.000 0.212 473 L C 2.483 179.378 176.870 0.042 0.000 1.080 473 L CA 1.167 56.036 54.840 0.048 0.000 0.754 473 L CB -0.182 41.934 42.059 0.096 0.000 0.893 473 L HN 0.001 nan 8.230 nan 0.000 0.433 474 E N -0.369 119.850 120.200 0.031 0.000 2.204 474 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 474 E C 1.895 178.514 176.600 0.032 0.000 0.989 474 E CA 1.636 58.055 56.400 0.032 0.000 0.824 474 E CB 0.096 29.814 29.700 0.029 0.000 0.756 474 E HN 0.463 nan 8.360 nan 0.000 0.477 475 T N 1.169 115.740 114.554 0.029 0.000 2.812 475 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 475 T C 2.066 176.786 174.700 0.032 0.000 1.042 475 T CA 0.895 63.013 62.100 0.030 0.000 1.140 475 T CB -0.107 68.776 68.868 0.026 0.000 0.870 475 T HN 0.155 nan 8.240 nan 0.000 0.445 476 I N 1.483 122.074 120.570 0.034 0.000 2.208 476 I HA -0.233 3.936 4.170 -0.000 0.000 0.245 476 I C 2.883 179.028 176.117 0.046 0.000 1.097 476 I CA 1.253 62.579 61.300 0.042 0.000 1.363 476 I CB -0.412 37.620 38.000 0.053 0.000 1.051 476 I HN 0.209 nan 8.210 nan 0.000 0.413 477 A N 0.433 123.281 122.820 0.046 0.000 1.898 477 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 477 A C 2.407 180.014 177.584 0.037 0.000 1.181 477 A CA 1.650 53.714 52.037 0.044 0.000 0.620 477 A CB -0.592 18.433 19.000 0.043 0.000 0.819 477 A HN 0.314 nan 8.150 nan 0.000 0.442 478 R N -0.349 120.171 120.500 0.033 0.000 2.073 478 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 478 R C 1.719 178.034 176.300 0.025 0.000 1.134 478 R CA 1.574 57.691 56.100 0.028 0.000 0.952 478 R CB -0.348 29.969 30.300 0.028 0.000 0.850 478 R HN 0.520 nan 8.270 nan 0.000 0.433 479 L N 0.401 121.640 121.223 0.027 0.000 2.552 479 L HA 0.016 4.356 4.340 -0.000 0.000 0.227 479 L C 0.405 177.292 176.870 0.028 0.000 1.146 479 L CA 0.113 54.967 54.840 0.023 0.000 0.858 479 L CB -0.472 41.604 42.059 0.028 0.000 0.969 479 L HN 0.362 nan 8.230 nan 0.000 0.451 480 N N 1.006 119.726 118.700 0.034 0.000 2.714 480 N HA -0.205 4.535 4.740 -0.000 0.000 0.253 480 N C -0.590 174.945 175.510 0.043 0.000 1.024 480 N CA 0.404 53.477 53.050 0.038 0.000 0.726 480 N CB -1.149 37.357 38.487 0.032 0.000 0.908 480 N HN 0.260 nan 8.380 nan 0.000 0.542 481 L N 0.599 121.851 121.223 0.048 0.000 2.290 481 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 481 L C -1.436 175.474 176.870 0.067 0.000 1.078 481 L CA -1.682 53.189 54.840 0.052 0.000 0.815 481 L CB 1.061 43.149 42.059 0.048 0.000 1.162 481 L HN 0.080 nan 8.230 nan 0.000 0.435 482 P HA 0.178 nan 4.420 nan 0.000 0.218 482 P C -0.137 177.237 177.300 0.123 0.000 1.793 482 P CA -0.014 63.141 63.100 0.092 0.000 0.941 482 P CB -0.231 31.516 31.700 0.078 0.000 1.919 483 I N 0.390 121.032 120.570 0.121 0.000 2.474 483 I HA 0.105 4.274 4.170 -0.000 0.000 0.287 483 I C 0.562 176.772 176.117 0.155 0.000 1.048 483 I CA -0.614 60.773 61.300 0.146 0.000 1.383 483 I CB 1.382 39.447 38.000 0.109 0.000 1.412 483 I HN -0.142 nan 8.210 nan 0.000 0.531 484 V N 5.664 125.692 119.914 0.189 0.000 2.350 484 V HA 0.255 4.375 4.120 -0.000 0.000 0.276 484 V C 0.169 176.259 176.094 -0.006 0.000 1.028 484 V CA -0.347 61.992 62.300 0.066 0.000 0.860 484 V CB 1.171 32.909 31.823 -0.142 0.000 0.990 484 V HN 0.724 nan 8.190 nan 0.000 0.453 485 T N 4.838 119.363 114.554 -0.048 0.000 2.794 485 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 485 T C -0.269 174.298 174.700 -0.221 0.000 0.987 485 T CA -0.318 61.716 62.100 -0.109 0.000 0.993 485 T CB 1.588 70.395 68.868 -0.103 0.000 0.939 485 T HN 0.327 nan 8.240 nan 0.000 0.449 486 V N 4.494 124.271 119.914 -0.228 0.000 2.334 486 V HA 0.331 4.451 4.120 -0.000 0.000 0.281 486 V C -0.037 175.819 176.094 -0.396 0.000 1.016 486 V CA -0.757 61.379 62.300 -0.274 0.000 0.832 486 V CB 1.485 33.197 31.823 -0.184 0.000 0.999 486 V HN 0.696 nan 8.190 nan 0.000 0.439 487 V N 6.280 125.875 119.914 -0.530 0.000 2.364 487 V HA 0.282 4.401 4.120 -0.000 0.000 0.272 487 V C 0.185 175.979 176.094 -0.500 0.000 1.036 487 V CA -0.540 61.342 62.300 -0.696 0.000 0.880 487 V CB 1.678 32.856 31.823 -1.074 0.000 0.991 487 V HN 0.727 nan 8.190 nan 0.000 0.460 488 V N 2.458 122.088 119.914 -0.474 0.000 2.334 488 V HA 0.558 4.678 4.120 -0.000 0.000 0.267 488 V C -0.036 175.895 176.094 -0.272 0.000 1.040 488 V CA -0.452 61.642 62.300 -0.343 0.000 0.866 488 V CB 1.020 32.657 31.823 -0.310 0.000 1.019 488 V HN 0.744 nan 8.190 nan 0.000 0.468 489 N N 5.086 123.672 118.700 -0.190 0.000 2.444 489 N HA 0.378 5.118 4.740 -0.000 0.000 0.262 489 N C 0.096 175.599 175.510 -0.013 0.000 0.974 489 N CA -0.389 52.622 53.050 -0.064 0.000 0.933 489 N CB 1.432 39.926 38.487 0.013 0.000 1.137 489 N HN 0.913 nan 8.380 nan 0.000 0.498 490 N N 2.247 120.984 118.700 0.061 0.000 2.351 490 N HA 0.087 4.826 4.740 -0.000 0.000 0.254 490 N C -0.934 174.666 175.510 0.150 0.000 1.241 490 N CA -0.251 52.841 53.050 0.071 0.000 0.883 490 N CB 0.013 38.534 38.487 0.057 0.000 1.202 490 N HN 0.361 nan 8.380 nan 0.000 0.512 491 D N -0.191 120.338 120.400 0.214 0.000 2.811 491 D HA -0.147 4.493 4.640 -0.000 0.000 0.231 491 D C -0.906 175.566 176.300 0.287 0.000 1.157 491 D CA 1.267 55.442 54.000 0.291 0.000 0.716 491 D CB -1.512 39.394 40.800 0.175 0.000 1.077 491 D HN 0.458 nan 8.370 nan 0.000 0.428 492 T N 0.170 114.905 114.554 0.303 0.000 2.982 492 T HA 0.201 4.550 4.350 -0.000 0.000 0.321 492 T C -0.076 174.751 174.700 0.212 0.000 1.229 492 T CA -0.801 61.352 62.100 0.089 0.000 1.044 492 T CB 1.466 70.413 68.868 0.131 0.000 1.184 492 T HN -0.176 nan 8.240 nan 0.000 0.477 493 N N 1.958 120.670 118.700 0.019 0.000 2.605 493 N HA 0.175 4.915 4.740 -0.000 0.000 0.282 493 N C 1.455 177.051 175.510 0.144 0.000 1.206 493 N CA -0.016 53.143 53.050 0.182 0.000 1.074 493 N CB 0.603 39.165 38.487 0.124 0.000 1.434 493 N HN 0.881 nan 8.380 nan 0.000 0.506 494 G N 1.517 110.456 108.800 0.231 0.000 2.402 494 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 494 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 494 G C 1.430 176.294 174.900 -0.059 0.000 1.162 494 G CA 0.056 45.282 45.100 0.210 0.000 0.777 494 G HN 0.497 nan 8.290 nan 0.000 0.539 495 L N 0.367 121.560 121.223 -0.050 0.000 2.081 495 L HA -0.107 4.232 4.340 -0.000 0.000 0.212 495 L C 2.575 179.374 176.870 -0.118 0.000 1.080 495 L CA 1.182 55.917 54.840 -0.174 0.000 0.754 495 L CB -0.207 41.882 42.059 0.050 0.000 0.893 495 L HN 0.134 nan 8.230 nan 0.000 0.433 496 I N -0.356 120.210 120.570 -0.007 0.000 2.406 496 I HA -0.223 3.946 4.170 -0.000 0.000 0.249 496 I C 2.398 178.495 176.117 -0.033 0.000 1.122 496 I CA 1.025 62.342 61.300 0.029 0.000 1.431 496 I CB -1.265 36.748 38.000 0.023 0.000 1.087 496 I HN 0.357 nan 8.210 nan 0.000 0.424 497 E N 1.216 121.380 120.200 -0.060 0.000 2.153 497 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 497 E C 2.391 178.840 176.600 -0.252 0.000 0.988 497 E CA 0.781 57.160 56.400 -0.035 0.000 0.811 497 E CB 0.070 29.853 29.700 0.137 0.000 0.746 497 E HN 0.371 nan 8.360 nan 0.000 0.466 498 L N 0.086 120.889 121.223 -0.700 0.000 2.017 498 L HA -0.217 4.122 4.340 -0.000 0.000 0.208 498 L C 2.005 178.461 176.870 -0.689 0.000 1.073 498 L CA 1.688 55.814 54.840 -1.191 0.000 0.745 498 L CB -0.421 40.620 42.059 -1.697 0.000 0.894 498 L HN 0.300 nan 8.230 nan 0.000 0.432 499 Y N 0.466 120.520 120.300 -0.410 0.000 2.293 499 Y HA -0.244 4.305 4.550 -0.001 0.000 0.291 499 Y C 2.834 178.652 175.900 -0.137 0.000 1.137 499 Y CA 1.328 59.277 58.100 -0.252 0.000 1.202 499 Y CB -0.326 38.029 38.460 -0.175 0.000 0.990 499 Y HN 0.322 nan 8.280 nan 0.000 0.537 500 Q N -0.115 119.708 119.800 0.038 0.000 2.061 500 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 500 Q C 1.967 178.010 176.000 0.072 0.000 0.984 500 Q CA 1.519 57.376 55.803 0.089 0.000 0.846 500 Q CB -0.263 28.491 28.738 0.026 0.000 0.902 500 Q HN 0.531 nan 8.270 nan 0.000 0.421 501 N N 0.447 119.121 118.700 -0.043 0.000 2.188 501 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 501 N C 1.880 177.274 175.510 -0.193 0.000 1.018 501 N CA 0.985 54.001 53.050 -0.056 0.000 0.858 501 N CB -0.065 38.428 38.487 0.009 0.000 0.989 501 N HN 0.253 nan 8.380 nan 0.000 0.426 502 I N 0.699 121.126 120.570 -0.239 0.000 2.226 502 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 502 I C 2.488 178.425 176.117 -0.299 0.000 1.100 502 I CA 1.355 62.491 61.300 -0.273 0.000 1.374 502 I CB -0.452 37.398 38.000 -0.250 0.000 1.057 502 I HN 0.129 nan 8.210 nan 0.000 0.413 503 G N -0.880 107.812 108.800 -0.181 0.000 2.408 503 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 503 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 503 G C 1.131 175.773 174.900 -0.429 0.000 1.156 503 G CA 0.520 45.450 45.100 -0.283 0.000 0.793 503 G HN 0.453 nan 8.290 nan 0.000 0.535 504 H N -1.820 117.194 119.070 -0.093 0.000 3.170 504 H HA 0.259 4.814 4.556 -0.000 0.000 0.264 504 H C 0.522 175.924 175.328 0.122 0.000 1.113 504 H CA -0.273 55.789 56.048 0.024 0.000 1.194 504 H CB 0.305 30.077 29.762 0.018 0.000 1.553 504 H HN 0.363 nan 8.280 nan 0.000 0.538 505 H N 0.315 119.457 119.070 0.119 0.000 2.899 505 H HA -0.168 4.388 4.556 -0.001 0.000 0.282 505 H C -0.044 175.344 175.328 0.100 0.000 1.198 505 H CA 1.232 57.334 56.048 0.090 0.000 1.140 505 H CB -1.234 28.567 29.762 0.064 0.000 1.317 505 H HN 0.585 nan 8.280 nan 0.000 0.375 506 R N -1.596 119.007 120.500 0.172 0.000 2.728 506 R HA 0.609 4.949 4.340 -0.000 0.000 0.274 506 R C -1.243 175.115 176.300 0.098 0.000 1.032 506 R CA -0.756 55.423 56.100 0.131 0.000 0.866 506 R CB 1.067 31.438 30.300 0.119 0.000 1.263 506 R HN -0.037 nan 8.270 nan 0.000 0.475 507 S N -0.130 115.624 115.700 0.091 0.000 2.652 507 S HA 0.306 4.776 4.470 -0.000 0.000 0.270 507 S C -0.980 173.678 174.600 0.098 0.000 1.243 507 S CA -0.386 57.862 58.200 0.079 0.000 0.999 507 S CB 0.560 63.805 63.200 0.076 0.000 0.973 507 S HN 0.610 nan 8.310 nan 0.000 0.544 508 H N 0.475 119.521 119.070 -0.039 0.000 3.177 508 H HA 0.329 4.884 4.556 -0.000 0.000 0.314 508 H C -0.204 175.097 175.328 -0.045 0.000 1.059 508 H CA -0.513 55.505 56.048 -0.050 0.000 1.515 508 H CB 0.429 30.140 29.762 -0.085 0.000 1.672 508 H HN 0.448 nan 8.280 nan 0.000 0.514 509 D N 4.763 124.962 120.400 -0.335 0.000 2.117 509 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 509 D C -0.797 175.347 176.300 -0.260 0.000 0.987 509 D CA 0.834 54.692 54.000 -0.237 0.000 0.829 509 D CB -0.788 39.905 40.800 -0.178 0.000 0.961 509 D HN 0.538 nan 8.370 nan 0.000 0.460 510 P HA -0.074 nan 4.420 nan 0.000 0.219 510 P C 0.826 178.080 177.300 -0.076 0.000 1.146 510 P CA 1.488 64.469 63.100 -0.199 0.000 0.808 510 P CB 0.019 31.601 31.700 -0.197 0.000 0.779 511 A N -1.124 121.679 122.820 -0.029 0.000 2.178 511 A HA 0.088 4.408 4.320 -0.000 0.000 0.211 511 A C 1.698 179.245 177.584 -0.061 0.000 1.157 511 A CA 1.297 53.342 52.037 0.013 0.000 0.780 511 A CB -0.607 18.442 19.000 0.083 0.000 0.828 511 A HN 0.216 nan 8.150 nan 0.000 0.476 512 V N -6.091 113.741 119.914 -0.136 0.000 3.380 512 V HA 0.368 4.488 4.120 -0.000 0.000 0.277 512 V C -0.173 175.653 176.094 -0.446 0.000 1.590 512 V CA -0.376 61.788 62.300 -0.226 0.000 1.019 512 V CB -0.039 31.720 31.823 -0.106 0.000 0.828 512 V HN 0.047 nan 8.190 nan 0.000 0.427 513 K N 1.640 121.820 120.400 -0.367 0.000 2.185 513 K HA 0.646 4.965 4.320 -0.000 0.000 0.269 513 K C -1.217 175.190 176.600 -0.322 0.000 0.987 513 K CA -0.350 55.746 56.287 -0.319 0.000 0.865 513 K CB 1.703 34.122 32.500 -0.135 0.000 1.090 513 K HN 0.283 nan 8.250 nan 0.000 0.450 514 F N -0.375 119.615 119.950 0.068 0.000 2.497 514 F HA 0.478 5.005 4.527 -0.001 0.000 0.331 514 F C 1.490 177.313 175.800 0.039 0.000 1.060 514 F CA -0.750 57.289 58.000 0.065 0.000 0.989 514 F CB 0.590 39.648 39.000 0.097 0.000 1.245 514 F HN 0.556 nan 8.300 nan 0.000 0.486 515 G N -0.512 108.431 108.800 0.238 0.000 2.535 515 G HA2 0.452 4.412 3.960 -0.000 0.000 0.282 515 G HA3 0.452 4.412 3.960 -0.000 0.000 0.282 515 G C -0.126 174.826 174.900 0.087 0.000 1.350 515 G CA -0.518 44.653 45.100 0.118 0.000 1.039 515 G HN 0.885 nan 8.290 nan 0.000 0.509 516 G N -1.639 107.171 108.800 0.018 0.000 2.380 516 G HA2 0.448 4.407 3.960 -0.000 0.000 0.262 516 G HA3 0.448 4.407 3.960 -0.000 0.000 0.262 516 G C -0.717 174.100 174.900 -0.140 0.000 1.243 516 G CA -0.106 44.973 45.100 -0.035 0.000 0.865 516 G HN 0.574 nan 8.290 nan 0.000 0.513 517 V N 3.071 122.826 119.914 -0.264 0.000 2.487 517 V HA 0.209 4.328 4.120 -0.000 0.000 0.298 517 V C -0.602 175.120 176.094 -0.619 0.000 1.028 517 V CA -0.938 61.000 62.300 -0.603 0.000 0.860 517 V CB 1.885 33.009 31.823 -1.166 0.000 0.991 517 V HN 0.763 nan 8.190 nan 0.000 0.427 518 D N 3.624 123.742 120.400 -0.470 0.000 2.453 518 D HA 0.237 4.877 4.640 -0.000 0.000 0.223 518 D C 0.603 176.689 176.300 -0.357 0.000 1.183 518 D CA -0.183 53.634 54.000 -0.306 0.000 0.933 518 D CB 0.524 41.215 40.800 -0.182 0.000 1.038 518 D HN 0.384 nan 8.370 nan 0.000 0.513 519 F N 2.041 121.902 119.950 -0.148 0.000 2.407 519 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 519 F C 2.294 178.011 175.800 -0.139 0.000 1.097 519 F CA 0.120 58.032 58.000 -0.147 0.000 1.422 519 F CB -0.154 38.721 39.000 -0.208 0.000 1.067 519 F HN 0.260 nan 8.300 nan 0.000 0.539 520 V N 0.160 120.071 119.914 -0.005 0.000 2.237 520 V HA -0.324 3.796 4.120 -0.000 0.000 0.245 520 V C 2.632 178.691 176.094 -0.057 0.000 1.046 520 V CA 2.015 64.276 62.300 -0.064 0.000 1.007 520 V CB -1.293 30.485 31.823 -0.076 0.000 0.638 520 V HN 0.343 nan 8.190 nan 0.000 0.445 521 A N -0.606 122.175 122.820 -0.064 0.000 1.940 521 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 521 A C 2.174 179.732 177.584 -0.043 0.000 1.176 521 A CA 2.137 54.140 52.037 -0.056 0.000 0.631 521 A CB -0.613 18.345 19.000 -0.069 0.000 0.814 521 A HN 0.463 nan 8.150 nan 0.000 0.446 522 L N -0.381 120.811 121.223 -0.052 0.000 2.017 522 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 522 L C 2.788 179.688 176.870 0.049 0.000 1.073 522 L CA 2.120 56.956 54.840 -0.007 0.000 0.745 522 L CB -0.538 41.514 42.059 -0.011 0.000 0.894 522 L HN 0.355 nan 8.230 nan 0.000 0.432 523 A N -1.106 121.749 122.820 0.059 0.000 1.902 523 A HA -0.255 4.064 4.320 -0.000 0.000 0.217 523 A C 2.244 179.841 177.584 0.021 0.000 1.181 523 A CA 1.892 53.961 52.037 0.054 0.000 0.623 523 A CB -0.656 18.345 19.000 0.002 0.000 0.818 523 A HN 0.550 nan 8.150 nan 0.000 0.443 524 E N -0.536 119.662 120.200 -0.003 0.000 2.150 524 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 524 E C 2.110 178.715 176.600 0.008 0.000 0.985 524 E CA 0.781 57.180 56.400 -0.002 0.000 0.814 524 E CB -0.204 29.488 29.700 -0.014 0.000 0.752 524 E HN 0.603 nan 8.360 nan 0.000 0.466 525 A N 0.897 123.722 122.820 0.007 0.000 2.019 525 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 525 A C 1.723 179.318 177.584 0.019 0.000 1.164 525 A CA 1.080 53.123 52.037 0.010 0.000 0.644 525 A CB -0.211 18.792 19.000 0.005 0.000 0.805 525 A HN 0.177 nan 8.150 nan 0.000 0.449 526 N N -0.964 117.753 118.700 0.028 0.000 2.398 526 N HA 0.107 4.847 4.740 -0.000 0.000 0.188 526 N C 0.998 176.528 175.510 0.034 0.000 1.122 526 N CA 0.889 53.959 53.050 0.034 0.000 0.866 526 N CB 0.416 38.932 38.487 0.048 0.000 0.970 526 N HN 0.612 nan 8.380 nan 0.000 0.462 527 G N 0.486 109.304 108.800 0.030 0.000 2.132 527 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.234 527 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.234 527 G C -0.185 174.740 174.900 0.041 0.000 0.989 527 G CA -0.065 45.054 45.100 0.033 0.000 0.676 527 G HN 0.148 nan 8.290 nan 0.000 0.522 528 V N 1.413 121.350 119.914 0.038 0.000 2.417 528 V HA 0.425 4.544 4.120 -0.000 0.000 0.291 528 V C 0.051 176.155 176.094 0.017 0.000 1.024 528 V CA -1.284 61.041 62.300 0.041 0.000 0.861 528 V CB 1.683 33.527 31.823 0.036 0.000 0.985 528 V HN 0.242 nan 8.190 nan 0.000 0.436 529 D N 3.342 123.782 120.400 0.067 0.000 2.399 529 D HA 0.598 5.238 4.640 -0.000 0.000 0.241 529 D C 0.159 176.338 176.300 -0.202 0.000 1.133 529 D CA 0.503 54.545 54.000 0.071 0.000 0.890 529 D CB 1.903 42.861 40.800 0.263 0.000 1.201 529 D HN 0.812 nan 8.370 nan 0.000 0.432 530 A N 0.955 123.602 122.820 -0.288 0.000 2.588 530 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 530 A C -0.637 176.725 177.584 -0.370 0.000 1.136 530 A CA -0.558 51.109 52.037 -0.616 0.000 0.681 530 A CB 2.386 21.171 19.000 -0.358 0.000 1.282 530 A HN 0.430 nan 8.150 nan 0.000 0.421 531 T N -0.693 113.638 114.554 -0.371 0.000 2.886 531 T HA 0.516 4.866 4.350 -0.000 0.000 0.330 531 T C -1.386 173.238 174.700 -0.125 0.000 1.488 531 T CA -0.551 61.470 62.100 -0.131 0.000 1.054 531 T CB 1.266 70.162 68.868 0.048 0.000 1.348 531 T HN 0.920 nan 8.240 nan 0.000 0.489 532 R N 1.996 122.455 120.500 -0.070 0.000 2.254 532 R HA 0.772 5.112 4.340 -0.000 0.000 0.318 532 R C -0.799 175.474 176.300 -0.046 0.000 1.031 532 R CA -0.396 55.665 56.100 -0.064 0.000 0.905 532 R CB 0.725 30.996 30.300 -0.049 0.000 1.050 532 R HN 0.659 nan 8.270 nan 0.000 0.456 533 A N 2.699 125.485 122.820 -0.056 0.000 2.331 533 A HA 0.347 4.666 4.320 -0.000 0.000 0.320 533 A C 0.365 177.919 177.584 -0.051 0.000 1.138 533 A CA -0.630 51.382 52.037 -0.043 0.000 0.790 533 A CB 1.503 20.478 19.000 -0.041 0.000 1.206 533 A HN 0.895 nan 8.150 nan 0.000 0.470 534 T N -1.408 113.122 114.554 -0.040 0.000 3.040 534 T HA 0.278 4.627 4.350 -0.000 0.000 0.266 534 T C 0.223 174.903 174.700 -0.034 0.000 1.005 534 T CA 0.363 62.439 62.100 -0.040 0.000 0.906 534 T CB -0.635 68.214 68.868 -0.031 0.000 1.082 534 T HN 0.864 nan 8.240 nan 0.000 0.531 535 N N -0.222 118.459 118.700 -0.032 0.000 3.039 535 N HA 0.405 5.144 4.740 -0.000 0.000 0.257 535 N C 0.364 175.856 175.510 -0.029 0.000 1.497 535 N CA -1.173 51.861 53.050 -0.027 0.000 0.861 535 N CB 0.879 39.354 38.487 -0.020 0.000 1.479 535 N HN -0.176 nan 8.380 nan 0.000 0.547 536 R N -0.330 120.153 120.500 -0.027 0.000 2.105 536 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 536 R C 1.374 177.663 176.300 -0.019 0.000 1.135 536 R CA 1.718 57.803 56.100 -0.025 0.000 0.967 536 R CB -0.185 30.101 30.300 -0.024 0.000 0.861 536 R HN 0.750 nan 8.270 nan 0.000 0.442 537 E N 0.975 121.165 120.200 -0.017 0.000 2.072 537 E HA -0.189 4.160 4.350 -0.000 0.000 0.190 537 E C 1.599 178.192 176.600 -0.011 0.000 0.982 537 E CA 1.086 57.478 56.400 -0.013 0.000 0.803 537 E CB 0.194 29.886 29.700 -0.013 0.000 0.755 537 E HN 0.370 nan 8.360 nan 0.000 0.453 538 E N 0.252 120.444 120.200 -0.013 0.000 2.106 538 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 538 E C 2.101 178.695 176.600 -0.009 0.000 0.984 538 E CA 0.642 57.036 56.400 -0.010 0.000 0.806 538 E CB -0.011 29.681 29.700 -0.013 0.000 0.750 538 E HN 0.169 nan 8.360 nan 0.000 0.458 539 L N 0.987 122.198 121.223 -0.020 0.000 2.005 539 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 539 L C 2.040 178.897 176.870 -0.020 0.000 1.072 539 L CA 1.538 56.362 54.840 -0.027 0.000 0.744 539 L CB -0.500 41.535 42.059 -0.039 0.000 0.895 539 L HN 0.124 nan 8.230 nan 0.000 0.433 540 L N -0.521 120.694 121.223 -0.013 0.000 2.043 540 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 540 L C 2.625 179.490 176.870 -0.008 0.000 1.075 540 L CA 1.378 56.215 54.840 -0.005 0.000 0.752 540 L CB -0.918 41.142 42.059 0.001 0.000 0.891 540 L HN 0.415 nan 8.230 nan 0.000 0.432 541 A N -0.320 122.495 122.820 -0.008 0.000 1.898 541 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 541 A C 2.510 180.085 177.584 -0.014 0.000 1.181 541 A CA 1.587 53.617 52.037 -0.011 0.000 0.620 541 A CB -0.637 18.360 19.000 -0.006 0.000 0.819 541 A HN 0.399 nan 8.150 nan 0.000 0.442 542 A N -0.372 122.458 122.820 0.017 0.000 1.898 542 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 542 A C 2.115 179.721 177.584 0.037 0.000 1.181 542 A CA 1.368 53.460 52.037 0.091 0.000 0.620 542 A CB -0.556 18.526 19.000 0.136 0.000 0.819 542 A HN 0.443 nan 8.150 nan 0.000 0.442 543 L N -1.248 119.957 121.223 -0.030 0.000 2.201 543 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 543 L C 2.790 179.607 176.870 -0.088 0.000 1.105 543 L CA 1.092 55.862 54.840 -0.117 0.000 0.775 543 L CB -0.295 41.675 42.059 -0.148 0.000 0.913 543 L HN 0.322 nan 8.230 nan 0.000 0.440 544 R N -0.276 120.193 120.500 -0.053 0.000 2.075 544 R HA -0.118 4.222 4.340 -0.000 0.000 0.226 544 R C 2.311 178.557 176.300 -0.090 0.000 1.114 544 R CA 0.911 56.991 56.100 -0.033 0.000 0.972 544 R CB -0.109 30.180 30.300 -0.019 0.000 0.869 544 R HN 0.178 nan 8.270 nan 0.000 0.437 545 K N 0.160 120.461 120.400 -0.165 0.000 2.032 545 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 545 K C 2.007 178.348 176.600 -0.432 0.000 1.048 545 K CA 1.742 57.849 56.287 -0.299 0.000 0.927 545 K CB -0.302 31.963 32.500 -0.391 0.000 0.712 545 K HN 0.251 nan 8.250 nan 0.000 0.441 546 G N 0.332 108.851 108.800 -0.467 0.000 2.421 546 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.216 546 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.216 546 G C 1.526 176.364 174.900 -0.104 0.000 1.171 546 G CA 0.900 45.785 45.100 -0.358 0.000 0.775 546 G HN 0.446 nan 8.290 nan 0.000 0.543 547 A N -0.100 122.710 122.820 -0.018 0.000 2.172 547 A HA 0.172 4.491 4.320 -0.000 0.000 0.216 547 A C 1.942 179.559 177.584 0.056 0.000 1.154 547 A CA 1.632 53.745 52.037 0.126 0.000 0.701 547 A CB -0.126 19.020 19.000 0.242 0.000 0.789 547 A HN 0.432 nan 8.150 nan 0.000 0.465 548 E N -1.590 118.597 120.200 -0.021 0.000 2.526 548 E HA 0.201 4.551 4.350 -0.000 0.000 0.208 548 E C 1.264 177.837 176.600 -0.046 0.000 0.997 548 E CA -0.267 56.118 56.400 -0.025 0.000 0.961 548 E CB 0.238 29.915 29.700 -0.039 0.000 1.030 548 E HN 0.401 nan 8.360 nan 0.000 0.483 549 L N -0.109 121.070 121.223 -0.074 0.000 2.156 549 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 549 L C 1.433 178.291 176.870 -0.020 0.000 1.095 549 L CA 1.837 56.630 54.840 -0.078 0.000 0.770 549 L CB -0.132 41.848 42.059 -0.132 0.000 0.914 549 L HN 0.261 nan 8.230 nan 0.000 0.439 550 G N -0.132 108.671 108.800 0.006 0.000 2.160 550 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 550 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 550 G C 0.457 175.377 174.900 0.034 0.000 1.008 550 G CA 0.473 45.586 45.100 0.022 0.000 0.724 550 G HN 0.403 nan 8.290 nan 0.000 0.514 551 R N -0.543 119.985 120.500 0.047 0.000 2.663 551 R HA 0.399 4.739 4.340 -0.000 0.000 0.267 551 R C -2.788 173.575 176.300 0.105 0.000 1.038 551 R CA -1.690 54.452 56.100 0.068 0.000 0.886 551 R CB 2.540 32.881 30.300 0.069 0.000 1.249 551 R HN 0.065 nan 8.270 nan 0.000 0.463 552 P HA 0.152 nan 4.420 nan 0.000 0.270 552 P C -1.078 176.357 177.300 0.225 0.000 1.223 552 P CA 0.135 63.319 63.100 0.141 0.000 0.785 552 P CB 0.609 32.371 31.700 0.104 0.000 0.923 553 F N 1.438 121.391 119.950 0.005 0.000 2.608 553 F HA 0.575 5.101 4.527 -0.001 0.000 0.309 553 F C -1.683 174.090 175.800 -0.044 0.000 1.103 553 F CA -1.044 56.944 58.000 -0.020 0.000 0.954 553 F CB 1.649 40.628 39.000 -0.035 0.000 1.267 553 F HN 0.172 nan 8.300 nan 0.000 0.444 554 L N 6.115 127.002 121.223 -0.560 0.000 2.381 554 L HA 0.757 5.097 4.340 -0.000 0.000 0.268 554 L C -1.647 174.858 176.870 -0.609 0.000 0.997 554 L CA -0.491 54.080 54.840 -0.449 0.000 0.818 554 L CB 1.758 43.641 42.059 -0.294 0.000 1.310 554 L HN 0.597 nan 8.230 nan 0.000 0.416 555 I N 3.803 124.134 120.570 -0.397 0.000 2.447 555 I HA 0.353 4.522 4.170 -0.000 0.000 0.287 555 I C -0.583 175.374 176.117 -0.267 0.000 1.023 555 I CA -0.403 60.714 61.300 -0.304 0.000 1.083 555 I CB 1.953 39.844 38.000 -0.182 0.000 1.245 555 I HN 0.585 nan 8.210 nan 0.000 0.434 556 E N 5.973 126.047 120.200 -0.211 0.000 2.200 556 E HA 0.498 4.848 4.350 -0.000 0.000 0.283 556 E C -1.461 175.053 176.600 -0.144 0.000 1.015 556 E CA -0.538 55.754 56.400 -0.180 0.000 0.819 556 E CB 1.485 31.137 29.700 -0.080 0.000 1.081 556 E HN 0.348 nan 8.360 nan 0.000 0.397 557 V N 7.489 127.304 119.914 -0.166 0.000 2.407 557 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 557 V C -2.198 173.816 176.094 -0.133 0.000 1.018 557 V CA -1.897 60.321 62.300 -0.136 0.000 0.842 557 V CB 1.410 33.145 31.823 -0.147 0.000 0.996 557 V HN 0.706 nan 8.190 nan 0.000 0.426 558 P HA 0.252 nan 4.420 nan 0.000 0.271 558 P C -0.596 176.621 177.300 -0.137 0.000 1.216 558 P CA 0.277 63.321 63.100 -0.094 0.000 0.771 558 P CB 1.483 33.146 31.700 -0.062 0.000 0.864 559 V N 0.729 120.536 119.914 -0.178 0.000 3.160 559 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 559 V C -0.820 175.084 176.094 -0.316 0.000 1.181 559 V CA -0.979 61.157 62.300 -0.274 0.000 1.047 559 V CB 2.185 33.780 31.823 -0.380 0.000 1.068 559 V HN 0.473 nan 8.190 nan 0.000 0.441 560 N N -0.965 117.492 118.700 -0.404 0.000 2.610 560 N HA 0.678 5.418 4.740 -0.000 0.000 0.264 560 N C -1.030 174.213 175.510 -0.446 0.000 1.348 560 N CA -0.523 52.297 53.050 -0.384 0.000 0.819 560 N CB 2.224 40.594 38.487 -0.195 0.000 1.521 560 N HN 0.744 nan 8.380 nan 0.000 0.497 561 Y N -0.147 120.157 120.300 0.007 0.000 2.609 561 Y HA 0.285 4.834 4.550 -0.000 0.000 0.281 561 Y C -0.155 175.805 175.900 0.099 0.000 1.132 561 Y CA 0.061 58.257 58.100 0.160 0.000 1.264 561 Y CB 0.371 39.095 38.460 0.441 0.000 1.325 561 Y HN 0.451 nan 8.280 nan 0.000 0.514 562 D N 1.898 122.299 120.400 0.000 0.000 3.038 562 D HA -0.184 4.456 4.640 -0.000 0.000 0.229 562 D C -0.963 175.424 176.300 0.145 0.000 1.182 562 D CA 0.746 54.726 54.000 -0.034 0.000 0.852 562 D CB -1.042 39.790 40.800 0.053 0.000 0.932 562 D HN 0.175 nan 8.370 nan 0.000 0.406 563 F N -0.364 119.753 119.950 0.278 0.000 2.380 563 F HA 0.512 5.039 4.527 -0.000 0.000 0.319 563 F C 0.898 176.839 175.800 0.234 0.000 1.113 563 F CA -1.259 56.920 58.000 0.300 0.000 1.056 563 F CB 0.574 39.672 39.000 0.163 0.000 1.289 563 F HN -0.006 nan 8.300 nan 0.000 0.515 564 Q N 1.854 122.004 119.800 0.584 0.000 2.932 564 Q HA 0.341 4.680 4.340 -0.000 0.000 0.248 564 Q C -2.196 174.053 176.000 0.414 0.000 0.982 564 Q CA -1.942 54.096 55.803 0.392 0.000 0.730 564 Q CB 1.290 30.202 28.738 0.290 0.000 1.249 564 Q HN 0.375 nan 8.270 nan 0.000 0.476 565 P HA -0.183 nan 4.420 nan 0.000 0.219 565 P C 0.961 178.387 177.300 0.210 0.000 1.144 565 P CA 1.602 64.805 63.100 0.173 0.000 0.806 565 P CB 0.197 31.929 31.700 0.053 0.000 0.771 566 G N -0.012 108.902 108.800 0.190 0.000 2.421 566 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 566 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 566 G C 1.561 176.501 174.900 0.065 0.000 1.143 566 G CA 0.645 45.820 45.100 0.125 0.000 0.784 566 G HN 0.431 nan 8.290 nan 0.000 0.541 567 G N -0.284 108.514 108.800 -0.003 0.000 3.262 567 G HA2 0.282 4.242 3.960 -0.000 0.000 0.228 567 G HA3 0.282 4.242 3.960 -0.000 0.000 0.228 567 G C 0.322 174.963 174.900 -0.432 0.000 1.197 567 G CA -0.419 44.550 45.100 -0.219 0.000 0.819 567 G HN 0.305 nan 8.290 nan 0.000 0.531 568 F N 0.617 120.521 119.950 -0.078 0.000 2.750 568 F HA 0.279 4.806 4.527 -0.001 0.000 0.297 568 F C 2.167 177.875 175.800 -0.154 0.000 1.138 568 F CA -0.413 57.500 58.000 -0.145 0.000 1.346 568 F CB 0.685 39.550 39.000 -0.226 0.000 0.965 568 F HN 0.111 nan 8.300 nan 0.000 0.514 569 G N 0.628 109.418 108.800 -0.017 0.000 2.469 569 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 569 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 569 G C 1.958 176.826 174.900 -0.054 0.000 1.150 569 G CA 0.942 46.023 45.100 -0.032 0.000 0.763 569 G HN 0.435 nan 8.290 nan 0.000 0.561 570 A N 0.423 123.199 122.820 -0.073 0.000 2.139 570 A HA 0.059 4.378 4.320 -0.000 0.000 0.221 570 A C 2.208 179.727 177.584 -0.108 0.000 1.159 570 A CA 1.074 53.059 52.037 -0.087 0.000 0.662 570 A CB -0.334 18.616 19.000 -0.085 0.000 0.796 570 A HN 0.416 nan 8.150 nan 0.000 0.463 571 L N -0.377 120.774 121.223 -0.121 0.000 2.622 571 L HA 0.008 4.347 4.340 -0.000 0.000 0.233 571 L C 0.666 177.489 176.870 -0.079 0.000 1.156 571 L CA -0.072 54.679 54.840 -0.147 0.000 0.866 571 L CB -0.382 41.562 42.059 -0.192 0.000 0.980 571 L HN 0.228 nan 8.230 nan 0.000 0.448 572 S N 0.000 115.661 115.700 -0.065 0.000 2.498 572 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 572 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 572 S CB 0.000 63.176 63.200 -0.041 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517