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_E 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 LLGSSEGIDX 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 0.000 177.264 177.300 -0.059 0.000 1.155 12 P CA 0.000 63.013 63.100 -0.145 0.000 0.800 12 P CB 0.000 31.569 31.700 -0.219 0.000 0.726 13 T N -0.140 114.418 114.554 0.007 0.000 2.883 13 T HA 0.683 5.033 4.350 0.000 0.000 0.284 13 T C 1.275 176.021 174.700 0.077 0.000 1.041 13 T CA 0.229 62.350 62.100 0.035 0.000 1.007 13 T CB 1.597 70.476 68.868 0.018 0.000 1.220 13 T HN 0.300 nan 8.240 nan 0.000 0.552 14 A N 0.410 123.267 122.820 0.061 0.000 1.972 14 A HA 0.149 4.469 4.320 0.000 0.000 0.219 14 A C 2.404 180.028 177.584 0.068 0.000 1.169 14 A CA 2.096 54.173 52.037 0.067 0.000 0.635 14 A CB -1.160 17.871 19.000 0.052 0.000 0.810 14 A HN 0.878 nan 8.150 nan 0.000 0.446 15 A N -0.530 122.318 122.820 0.048 0.000 1.865 15 A HA -0.240 4.080 4.320 0.000 0.000 0.217 15 A C 2.005 179.595 177.584 0.009 0.000 1.191 15 A CA 2.204 54.244 52.037 0.005 0.000 0.623 15 A CB -1.039 17.918 19.000 -0.073 0.000 0.826 15 A HN 0.800 nan 8.150 nan 0.000 0.444 16 H N -0.222 118.824 119.070 -0.040 0.000 2.289 16 H HA -0.052 4.504 4.556 0.000 0.000 0.296 16 H C 2.160 177.491 175.328 0.005 0.000 1.091 16 H CA 2.370 58.403 56.048 -0.026 0.000 1.274 16 H CB -0.244 29.505 29.762 -0.021 0.000 1.364 16 H HN 0.406 nan 8.280 nan 0.000 0.490 17 A N 0.450 123.349 122.820 0.131 0.000 1.972 17 A HA -0.104 4.216 4.320 0.000 0.000 0.219 17 A C 2.345 179.949 177.584 0.032 0.000 1.169 17 A CA 1.510 53.605 52.037 0.097 0.000 0.635 17 A CB -0.769 18.301 19.000 0.116 0.000 0.810 17 A HN 0.501 nan 8.150 nan 0.000 0.446 18 L N -0.199 121.049 121.223 0.041 0.000 1.988 18 L HA -0.040 4.300 4.340 0.000 0.000 0.207 18 L C 2.245 179.149 176.870 0.056 0.000 1.071 18 L CA 1.763 56.645 54.840 0.070 0.000 0.744 18 L CB -0.819 41.312 42.059 0.121 0.000 0.893 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -0.676 120.553 121.223 0.010 0.000 2.083 19 L HA -0.190 4.150 4.340 0.000 0.000 0.209 19 L C 2.728 179.562 176.870 -0.061 0.000 1.083 19 L CA 1.500 56.337 54.840 -0.005 0.000 0.752 19 L CB -0.808 41.221 42.059 -0.050 0.000 0.899 19 L HN 0.474 nan 8.230 nan 0.000 0.433 20 S N -0.203 115.402 115.700 -0.159 0.000 2.402 20 S HA -0.194 4.276 4.470 0.000 0.000 0.229 20 S C 2.157 176.733 174.600 -0.041 0.000 1.021 20 S CA 1.078 59.188 58.200 -0.150 0.000 0.974 20 S CB -0.062 62.989 63.200 -0.248 0.000 0.800 20 S HN 0.249 nan 8.310 nan 0.000 0.484 21 R N 0.740 121.245 120.500 0.007 0.000 2.161 21 R HA 0.331 4.671 4.340 0.000 0.000 0.213 21 R C 2.083 178.466 176.300 0.138 0.000 1.055 21 R CA 0.902 57.036 56.100 0.056 0.000 0.996 21 R CB -0.806 29.548 30.300 0.091 0.000 0.901 21 R HN 0.478 nan 8.270 nan 0.000 0.456 22 L N 0.133 121.428 121.223 0.121 0.000 2.027 22 L HA -0.090 4.250 4.340 0.000 0.000 0.206 22 L C 2.637 179.574 176.870 0.112 0.000 1.074 22 L CA 1.362 56.288 54.840 0.143 0.000 0.745 22 L CB -0.501 41.627 42.059 0.116 0.000 0.898 22 L HN 0.164 nan 8.230 nan 0.000 0.433 23 R N 0.591 121.122 120.500 0.051 0.000 2.105 23 R HA -0.199 4.141 4.340 0.000 0.000 0.239 23 R C 1.552 177.855 176.300 0.004 0.000 1.135 23 R CA 1.916 58.028 56.100 0.021 0.000 0.967 23 R CB -0.532 29.763 30.300 -0.009 0.000 0.861 23 R HN 0.374 nan 8.270 nan 0.000 0.442 24 D N -0.435 119.950 120.400 -0.026 0.000 2.218 24 D HA -0.133 4.507 4.640 0.000 0.000 0.204 24 D C 1.250 177.464 176.300 -0.144 0.000 0.976 24 D CA 0.997 54.935 54.000 -0.105 0.000 0.853 24 D CB -0.252 40.438 40.800 -0.185 0.000 0.939 24 D HN 0.410 nan 8.370 nan 0.000 0.481 25 H N -0.950 118.122 119.070 0.003 0.000 2.524 25 H HA 0.274 4.830 4.556 0.000 0.000 0.280 25 H C 1.408 176.741 175.328 0.008 0.000 1.018 25 H CA 0.754 56.804 56.048 0.004 0.000 1.165 25 H CB 0.700 30.464 29.762 0.004 0.000 1.411 25 H HN 0.206 nan 8.280 nan 0.000 0.569 26 G N 0.736 109.587 108.800 0.085 0.000 2.176 26 G HA2 -0.281 3.679 3.960 0.000 0.000 0.232 26 G HA3 -0.281 3.679 3.960 0.000 0.000 0.232 26 G C 0.318 175.250 174.900 0.052 0.000 0.986 26 G CA 0.240 45.374 45.100 0.056 0.000 0.643 26 G HN 0.205 nan 8.290 nan 0.000 0.522 27 V N 0.884 120.838 119.914 0.066 0.000 2.572 27 V HA 0.537 4.657 4.120 0.000 0.000 0.291 27 V C 1.558 177.665 176.094 0.022 0.000 1.039 27 V CA 1.226 63.556 62.300 0.051 0.000 1.055 27 V CB 1.337 33.200 31.823 0.068 0.000 0.969 27 V HN 0.666 nan 8.190 nan 0.000 0.482 28 G N 4.374 113.174 108.800 -0.000 0.000 2.945 28 G HA2 0.196 4.156 3.960 0.000 0.000 0.225 28 G HA3 0.196 4.156 3.960 0.000 0.000 0.225 28 G C 0.416 175.264 174.900 -0.086 0.000 1.046 28 G CA -0.140 44.942 45.100 -0.029 0.000 0.842 28 G HN 0.506 nan 8.290 nan 0.000 0.543 29 K N 0.487 120.809 120.400 -0.130 0.000 2.426 29 K HA 0.649 4.969 4.320 0.000 0.000 0.251 29 K C -1.615 174.800 176.600 -0.308 0.000 0.941 29 K CA -0.666 55.429 56.287 -0.320 0.000 0.808 29 K CB 3.063 35.216 32.500 -0.579 0.000 1.265 29 K HN -0.123 nan 8.250 nan 0.000 0.432 30 V N 3.069 122.715 119.914 -0.446 0.000 2.407 30 V HA 0.397 4.517 4.120 0.000 0.000 0.291 30 V C -0.868 174.742 176.094 -0.808 0.000 1.018 30 V CA -0.836 61.234 62.300 -0.383 0.000 0.842 30 V CB 0.656 32.356 31.823 -0.206 0.000 0.996 30 V HN 0.525 nan 8.190 nan 0.000 0.426 31 F N 3.023 122.699 119.950 -0.458 0.000 2.394 31 F HA 0.850 5.377 4.527 0.000 0.000 0.340 31 F C 1.004 176.517 175.800 -0.478 0.000 1.105 31 F CA 0.297 57.984 58.000 -0.522 0.000 1.124 31 F CB 1.747 40.584 39.000 -0.271 0.000 1.145 31 F HN 0.694 nan 8.300 nan 0.000 0.505 32 G N 0.729 109.320 108.800 -0.348 0.000 2.340 32 G HA2 0.479 4.439 3.960 0.000 0.000 0.299 32 G HA3 0.479 4.439 3.960 0.000 0.000 0.299 32 G C -2.381 172.722 174.900 0.338 0.000 1.291 32 G CA -0.767 44.399 45.100 0.111 0.000 0.841 32 G HN 0.453 nan 8.290 nan 0.000 0.500 33 V N 0.490 120.654 119.914 0.417 0.000 2.483 33 V HA 0.552 4.672 4.120 0.000 0.000 0.297 33 V C 0.060 176.362 176.094 0.348 0.000 1.027 33 V CA -0.694 61.799 62.300 0.322 0.000 0.855 33 V CB 1.318 33.246 31.823 0.175 0.000 0.995 33 V HN 0.710 nan 8.190 nan 0.000 0.424 34 V N 4.175 124.185 119.914 0.159 0.000 2.546 34 V HA 0.749 4.869 4.120 0.000 0.000 0.284 34 V C 0.952 177.133 176.094 0.145 0.000 1.050 34 V CA 0.369 62.751 62.300 0.136 0.000 0.981 34 V CB 1.208 32.934 31.823 -0.162 0.000 0.990 34 V HN 0.954 nan 8.190 nan 0.000 0.474 35 G N 3.362 112.289 108.800 0.211 0.000 3.008 35 G HA2 0.347 4.307 3.960 0.000 0.000 0.181 35 G HA3 0.347 4.307 3.960 0.000 0.000 0.181 35 G C 0.820 175.792 174.900 0.121 0.000 1.309 35 G CA -0.239 44.946 45.100 0.142 0.000 1.009 35 G HN 0.747 nan 8.290 nan 0.000 0.584 36 R N -0.048 120.514 120.500 0.103 0.000 2.249 36 R HA -0.070 4.270 4.340 0.000 0.000 0.230 36 R C 1.718 178.070 176.300 0.088 0.000 1.121 36 R CA 1.982 58.132 56.100 0.083 0.000 0.997 36 R CB -0.356 29.991 30.300 0.078 0.000 0.867 36 R HN 0.560 nan 8.270 nan 0.000 0.465 37 E N 1.656 121.934 120.200 0.130 0.000 2.455 37 E HA -0.169 4.181 4.350 0.000 0.000 0.202 37 E C 1.558 178.218 176.600 0.101 0.000 1.045 37 E CA 1.195 57.683 56.400 0.147 0.000 0.872 37 E CB -0.116 29.734 29.700 0.251 0.000 0.792 37 E HN 0.515 nan 8.360 nan 0.000 0.542 38 A N 1.603 124.466 122.820 0.071 0.000 2.084 38 A HA -0.053 4.267 4.320 0.000 0.000 0.221 38 A C 2.458 180.023 177.584 -0.032 0.000 1.161 38 A CA 1.851 53.882 52.037 -0.010 0.000 0.653 38 A CB -0.621 18.374 19.000 -0.008 0.000 0.802 38 A HN 0.456 nan 8.150 nan 0.000 0.457 39 A N -1.143 121.676 122.820 -0.001 0.000 2.015 39 A HA 0.033 4.353 4.320 0.000 0.000 0.219 39 A C 2.286 179.859 177.584 -0.018 0.000 1.163 39 A CA 1.866 53.899 52.037 -0.007 0.000 0.646 39 A CB -0.366 18.640 19.000 0.011 0.000 0.806 39 A HN 0.441 nan 8.150 nan 0.000 0.448 40 S N -1.751 113.940 115.700 -0.014 0.000 2.497 40 S HA 0.358 4.828 4.470 0.000 0.000 0.221 40 S C 0.398 174.946 174.600 -0.087 0.000 1.037 40 S CA 0.039 58.226 58.200 -0.022 0.000 0.920 40 S CB 0.101 63.314 63.200 0.021 0.000 0.800 40 S HN 0.503 nan 8.310 nan 0.000 0.505 41 I N 1.057 121.523 120.570 -0.173 0.000 2.534 41 I HA 0.338 4.508 4.170 0.000 0.000 0.288 41 I C -0.080 175.725 176.117 -0.520 0.000 1.077 41 I CA -0.512 60.539 61.300 -0.415 0.000 1.051 41 I CB 1.505 39.129 38.000 -0.626 0.000 1.234 41 I HN 0.058 nan 8.210 nan 0.000 0.425 42 L N 6.672 127.626 121.223 -0.449 0.000 2.357 42 L HA 0.200 4.540 4.340 0.000 0.000 0.211 42 L C 0.369 177.103 176.870 -0.227 0.000 1.075 42 L CA 0.760 55.435 54.840 -0.274 0.000 0.830 42 L CB 0.146 42.118 42.059 -0.143 0.000 0.996 42 L HN 0.890 nan 8.230 nan 0.000 0.467 43 F N -0.517 119.313 119.950 -0.199 0.000 2.411 43 F HA -0.234 4.293 4.527 0.000 0.000 0.393 43 F C 1.021 176.765 175.800 -0.093 0.000 0.576 43 F CA 0.732 58.628 58.000 -0.174 0.000 1.609 43 F CB -1.710 37.145 39.000 -0.240 0.000 2.186 43 F HN 0.340 nan 8.300 nan 0.000 0.274 44 D N -0.032 120.378 120.400 0.016 0.000 2.340 44 D HA 0.111 4.751 4.640 0.000 0.000 0.217 44 D C 1.353 177.655 176.300 0.003 0.000 1.081 44 D CA 0.583 54.592 54.000 0.016 0.000 0.842 44 D CB -0.042 40.761 40.800 0.006 0.000 0.934 44 D HN 0.332 nan 8.370 nan 0.000 0.511 45 E N -0.171 120.015 120.200 -0.023 0.000 2.153 45 E HA -0.004 4.346 4.350 0.000 0.000 0.194 45 E C 0.162 176.780 176.600 0.030 0.000 0.988 45 E CA 0.794 57.205 56.400 0.019 0.000 0.811 45 E CB 0.281 29.977 29.700 -0.007 0.000 0.746 45 E HN 0.163 nan 8.360 nan 0.000 0.466 46 V N 1.393 121.289 119.914 -0.030 0.000 2.531 46 V HA 0.162 4.282 4.120 0.000 0.000 0.301 46 V C -0.136 175.950 176.094 -0.013 0.000 1.034 46 V CA -0.943 61.324 62.300 -0.055 0.000 0.865 46 V CB 1.942 33.676 31.823 -0.147 0.000 0.995 46 V HN -0.011 nan 8.190 nan 0.000 0.424 47 E N 2.482 122.683 120.200 0.001 0.000 2.376 47 E HA 0.373 4.723 4.350 0.000 0.000 0.266 47 E C 1.138 177.736 176.600 -0.004 0.000 1.009 47 E CA 1.093 57.495 56.400 0.004 0.000 0.902 47 E CB 1.188 30.894 29.700 0.010 0.000 0.972 47 E HN 1.132 nan 8.360 nan 0.000 0.439 48 G N 3.427 112.224 108.800 -0.005 0.000 2.176 48 G HA2 -0.261 3.700 3.960 0.000 0.000 0.232 48 G HA3 -0.261 3.700 3.960 0.000 0.000 0.232 48 G C 0.101 174.992 174.900 -0.014 0.000 0.986 48 G CA -0.055 45.039 45.100 -0.009 0.000 0.643 48 G HN 0.512 nan 8.290 nan 0.000 0.522 49 I N 1.829 122.393 120.570 -0.010 0.000 2.447 49 I HA 0.464 4.634 4.170 0.000 0.000 0.287 49 I C -1.390 174.724 176.117 -0.006 0.000 1.023 49 I CA -0.895 60.398 61.300 -0.011 0.000 1.083 49 I CB 1.283 39.290 38.000 0.012 0.000 1.245 49 I HN 0.000 nan 8.210 nan 0.000 0.434 50 D N 6.959 127.324 120.400 -0.058 0.000 2.350 50 D HA 0.251 4.891 4.640 0.000 0.000 0.245 50 D C -0.930 175.283 176.300 -0.144 0.000 1.036 50 D CA -0.228 53.734 54.000 -0.062 0.000 0.848 50 D CB 2.467 43.212 40.800 -0.093 0.000 1.307 50 D HN 0.219 nan 8.370 nan 0.000 0.469 51 F N 1.299 121.095 119.950 -0.257 0.000 2.412 51 F HA 0.225 4.752 4.527 0.000 0.000 0.348 51 F C -0.129 175.465 175.800 -0.343 0.000 1.102 51 F CA -0.301 57.447 58.000 -0.419 0.000 1.196 51 F CB 0.910 39.567 39.000 -0.572 0.000 1.144 51 F HN -0.024 nan 8.300 nan 0.000 0.541 52 V N 7.947 127.331 119.914 -0.883 0.000 2.284 52 V HA 0.200 4.320 4.120 0.000 0.000 0.274 52 V C -0.420 175.426 176.094 -0.412 0.000 1.023 52 V CA -0.829 61.147 62.300 -0.540 0.000 0.808 52 V CB 0.856 32.255 31.823 -0.706 0.000 1.035 52 V HN 0.584 nan 8.190 nan 0.000 0.445 53 L N 6.208 127.420 121.223 -0.018 0.000 2.416 53 L HA 0.608 4.948 4.340 0.000 0.000 0.272 53 L C 0.729 177.644 176.870 0.075 0.000 1.161 53 L CA 1.074 56.010 54.840 0.160 0.000 0.845 53 L CB 1.308 43.495 42.059 0.213 0.000 1.119 53 L HN 0.867 nan 8.230 nan 0.000 0.464 54 T N 1.728 116.340 114.554 0.098 0.000 2.807 54 T HA 0.553 4.903 4.350 0.000 0.000 0.277 54 T C 0.829 175.585 174.700 0.093 0.000 1.006 54 T CA -0.788 61.360 62.100 0.080 0.000 1.006 54 T CB 1.262 70.172 68.868 0.071 0.000 1.274 54 T HN 0.494 nan 8.240 nan 0.000 0.569 55 R N -0.422 120.133 120.500 0.092 0.000 2.265 55 R HA 0.260 4.600 4.340 0.000 0.000 0.194 55 R C 0.314 176.710 176.300 0.160 0.000 0.931 55 R CA 0.338 56.498 56.100 0.100 0.000 1.032 55 R CB -0.368 29.975 30.300 0.072 0.000 0.980 55 R HN 0.760 nan 8.270 nan 0.000 0.497 56 H N -0.439 118.666 119.070 0.058 0.000 2.996 56 H HA 0.151 4.707 4.556 0.000 0.000 0.368 56 H C -0.209 175.181 175.328 0.103 0.000 1.185 56 H CA -0.209 55.888 56.048 0.082 0.000 1.160 56 H CB 2.021 31.835 29.762 0.086 0.000 1.820 56 H HN -0.215 nan 8.280 nan 0.000 0.547 57 E N 2.681 122.801 120.200 -0.133 0.000 2.204 57 E HA -0.098 4.252 4.350 0.000 0.000 0.194 57 E C 1.550 178.246 176.600 0.160 0.000 0.989 57 E CA 0.960 57.372 56.400 0.020 0.000 0.824 57 E CB -0.031 29.644 29.700 -0.041 0.000 0.756 57 E HN 0.460 nan 8.360 nan 0.000 0.477 58 F N 1.464 121.548 119.950 0.224 0.000 2.091 58 F HA -0.271 4.256 4.527 0.000 0.000 0.299 58 F C 2.028 177.877 175.800 0.081 0.000 1.103 58 F CA 1.801 59.916 58.000 0.191 0.000 1.228 58 F CB -0.729 38.427 39.000 0.260 0.000 0.984 58 F HN -0.084 nan 8.300 nan 0.000 0.477 59 T N 0.827 115.337 114.554 -0.074 0.000 2.759 59 T HA -0.191 4.159 4.350 0.000 0.000 0.269 59 T C 2.208 176.750 174.700 -0.262 0.000 1.042 59 T CA 1.485 63.431 62.100 -0.257 0.000 1.140 59 T CB -0.864 67.975 68.868 -0.049 0.000 0.864 59 T HN 0.423 nan 8.240 nan 0.000 0.455 60 A N 1.328 124.080 122.820 -0.113 0.000 1.877 60 A HA 0.120 4.440 4.320 0.000 0.000 0.216 60 A C 2.640 180.106 177.584 -0.197 0.000 1.186 60 A CA 1.878 53.862 52.037 -0.088 0.000 0.620 60 A CB -1.371 17.657 19.000 0.045 0.000 0.822 60 A HN 0.508 nan 8.150 nan 0.000 0.443 61 G N -0.618 108.088 108.800 -0.156 0.000 2.421 61 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 61 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 61 G C 1.519 176.260 174.900 -0.265 0.000 1.171 61 G CA 1.253 46.263 45.100 -0.150 0.000 0.775 61 G HN 0.316 nan 8.290 nan 0.000 0.543 62 V N 1.605 121.274 119.914 -0.409 0.000 2.343 62 V HA -0.139 3.981 4.120 0.000 0.000 0.247 62 V C 3.326 179.134 176.094 -0.478 0.000 1.051 62 V CA 2.018 64.051 62.300 -0.444 0.000 1.036 62 V CB -0.828 30.585 31.823 -0.683 0.000 0.654 62 V HN 0.475 nan 8.190 nan 0.000 0.451 63 A N -0.178 122.291 122.820 -0.586 0.000 1.972 63 A HA -0.070 4.250 4.320 0.000 0.000 0.219 63 A C 2.387 179.452 177.584 -0.865 0.000 1.169 63 A CA 1.947 53.535 52.037 -0.748 0.000 0.635 63 A CB -0.611 17.832 19.000 -0.929 0.000 0.810 63 A HN 0.566 nan 8.150 nan 0.000 0.446 64 A N 0.047 122.410 122.820 -0.762 0.000 1.897 64 A HA -0.170 4.150 4.320 0.000 0.000 0.215 64 A C 1.959 179.390 177.584 -0.254 0.000 1.181 64 A CA 1.721 53.491 52.037 -0.444 0.000 0.620 64 A CB -0.529 18.358 19.000 -0.188 0.000 0.821 64 A HN 0.637 nan 8.150 nan 0.000 0.443 65 D N 0.123 120.380 120.400 -0.239 0.000 2.097 65 D HA -0.132 4.508 4.640 0.000 0.000 0.195 65 D C 1.892 178.084 176.300 -0.179 0.000 0.989 65 D CA 1.933 55.837 54.000 -0.159 0.000 0.827 65 D CB -0.067 40.664 40.800 -0.116 0.000 0.966 65 D HN 0.209 nan 8.370 nan 0.000 0.456 66 V N 1.034 120.807 119.914 -0.235 0.000 2.323 66 V HA -0.191 3.929 4.120 0.000 0.000 0.244 66 V C 2.676 178.646 176.094 -0.207 0.000 1.041 66 V CA 1.104 63.265 62.300 -0.231 0.000 1.025 66 V CB -0.551 31.112 31.823 -0.267 0.000 0.656 66 V HN 0.213 nan 8.190 nan 0.000 0.451 67 L N 0.977 122.076 121.223 -0.207 0.000 2.079 67 L HA -0.137 4.203 4.340 0.000 0.000 0.210 67 L C 2.367 179.189 176.870 -0.080 0.000 1.081 67 L CA 2.383 57.155 54.840 -0.115 0.000 0.752 67 L CB -0.924 41.098 42.059 -0.062 0.000 0.896 67 L HN 0.247 nan 8.230 nan 0.000 0.433 68 A N -0.681 122.081 122.820 -0.098 0.000 1.897 68 A HA -0.193 4.127 4.320 0.000 0.000 0.215 68 A C 2.515 180.045 177.584 -0.091 0.000 1.181 68 A CA 1.432 53.428 52.037 -0.068 0.000 0.620 68 A CB -0.568 18.394 19.000 -0.063 0.000 0.821 68 A HN 0.479 nan 8.150 nan 0.000 0.443 69 R N -0.232 120.166 120.500 -0.170 0.000 2.083 69 R HA -0.106 4.234 4.340 0.000 0.000 0.237 69 R C 1.877 178.022 176.300 -0.257 0.000 1.137 69 R CA 2.040 57.965 56.100 -0.292 0.000 0.951 69 R CB -0.368 29.622 30.300 -0.517 0.000 0.851 69 R HN 0.549 nan 8.270 nan 0.000 0.434 70 I N 0.048 120.499 120.570 -0.198 0.000 2.333 70 I HA -0.190 3.980 4.170 0.000 0.000 0.246 70 I C 2.357 178.505 176.117 0.050 0.000 1.106 70 I CA 1.545 62.830 61.300 -0.026 0.000 1.411 70 I CB -0.356 37.632 38.000 -0.020 0.000 1.082 70 I HN 0.384 nan 8.210 nan 0.000 0.420 71 T N -1.490 113.072 114.554 0.014 0.000 2.951 71 T HA 0.026 4.376 4.350 0.000 0.000 0.268 71 T C 1.734 176.460 174.700 0.043 0.000 1.073 71 T CA 0.713 62.833 62.100 0.033 0.000 1.134 71 T CB -0.413 68.469 68.868 0.024 0.000 0.884 71 T HN 0.536 nan 8.240 nan 0.000 0.479 72 G N 1.653 110.475 108.800 0.036 0.000 2.168 72 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 72 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 72 G C 0.085 175.002 174.900 0.028 0.000 0.997 72 G CA 0.265 45.389 45.100 0.041 0.000 0.708 72 G HN 0.731 nan 8.290 nan 0.000 0.520 73 R N -0.234 120.279 120.500 0.021 0.000 2.803 73 R HA 0.513 4.853 4.340 0.000 0.000 0.276 73 R C -2.787 173.523 176.300 0.015 0.000 0.978 73 R CA -2.227 53.888 56.100 0.025 0.000 0.939 73 R CB 1.717 32.038 30.300 0.035 0.000 1.179 73 R HN -0.002 nan 8.270 nan 0.000 0.472 74 P HA 0.015 nan 4.420 nan 0.000 0.268 74 P C -0.838 176.477 177.300 0.025 0.000 1.205 74 P CA 0.022 63.123 63.100 0.001 0.000 0.771 74 P CB 0.733 32.416 31.700 -0.028 0.000 0.858 75 Q N 0.795 120.612 119.800 0.027 0.000 2.633 75 Q HA 0.844 5.184 4.340 0.000 0.000 0.292 75 Q C -0.949 175.098 176.000 0.078 0.000 1.089 75 Q CA -0.949 54.893 55.803 0.065 0.000 0.811 75 Q CB 2.423 31.197 28.738 0.060 0.000 1.472 75 Q HN 0.444 nan 8.270 nan 0.000 0.464 76 A N 0.207 123.107 122.820 0.134 0.000 2.455 76 A HA 0.777 5.097 4.320 0.000 0.000 0.300 76 A C -0.525 177.178 177.584 0.198 0.000 1.040 76 A CA -0.528 51.598 52.037 0.149 0.000 0.697 76 A CB 0.673 19.762 19.000 0.149 0.000 1.265 76 A HN 0.832 nan 8.150 nan 0.000 0.407 77 C N -0.244 119.170 119.300 0.190 0.000 3.108 77 C HA 0.999 5.459 4.460 0.000 0.000 0.321 77 C C -1.073 174.101 174.990 0.308 0.000 1.357 77 C CA -0.949 58.193 59.018 0.206 0.000 1.562 77 C CB 1.520 29.333 27.740 0.121 0.000 2.003 77 C HN 1.173 nan 8.230 nan 0.000 0.460 78 W N 0.777 122.137 121.300 0.100 0.000 3.573 78 W HA 0.624 5.284 4.660 0.000 0.000 0.306 78 W C -1.207 175.420 176.519 0.180 0.000 1.227 78 W CA 0.095 57.546 57.345 0.176 0.000 1.212 78 W CB 1.930 31.549 29.460 0.264 0.000 1.331 78 W HN 1.353 nan 8.180 nan 0.000 0.524 79 A N 2.365 125.182 122.820 -0.005 0.000 2.602 79 A HA 0.653 4.973 4.320 0.000 0.000 0.290 79 A C -0.936 176.637 177.584 -0.018 0.000 1.114 79 A CA -0.412 51.691 52.037 0.110 0.000 0.683 79 A CB 1.823 20.861 19.000 0.063 0.000 1.281 79 A HN 0.440 nan 8.150 nan 0.000 0.416 80 T N 0.031 114.643 114.554 0.095 0.000 2.810 80 T HA 0.545 4.895 4.350 0.000 0.000 0.277 80 T C 0.609 175.320 174.700 0.019 0.000 0.973 80 T CA -0.046 62.103 62.100 0.081 0.000 0.949 80 T CB -0.037 68.902 68.868 0.118 0.000 1.075 80 T HN 1.151 nan 8.240 nan 0.000 0.537 81 L N 0.285 121.519 121.223 0.018 0.000 2.479 81 L HA 0.571 4.911 4.340 0.000 0.000 0.270 81 L C 1.312 178.175 176.870 -0.012 0.000 1.236 81 L CA -0.085 54.757 54.840 0.002 0.000 0.823 81 L CB -0.934 41.124 42.059 -0.001 0.000 1.098 81 L HN 0.923 nan 8.230 nan 0.000 0.500 82 G N 1.501 110.289 108.800 -0.021 0.000 2.602 82 G HA2 -0.323 3.637 3.960 0.000 0.000 0.310 82 G HA3 -0.323 3.637 3.960 0.000 0.000 0.310 82 G C -1.128 173.751 174.900 -0.036 0.000 1.183 82 G CA 0.362 45.438 45.100 -0.040 0.000 0.979 82 G HN 0.785 nan 8.290 nan 0.000 0.545 83 P HA 0.023 nan 4.420 nan 0.000 0.223 83 P C 1.925 179.205 177.300 -0.033 0.000 1.151 83 P CA 2.294 65.374 63.100 -0.033 0.000 0.787 83 P CB -0.646 31.036 31.700 -0.030 0.000 0.788 84 G N 0.800 109.587 108.800 -0.021 0.000 2.459 84 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 84 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 84 G C 1.545 176.437 174.900 -0.014 0.000 1.183 84 G CA 1.017 46.111 45.100 -0.010 0.000 0.776 84 G HN 0.165 nan 8.290 nan 0.000 0.552 85 M N 1.980 121.572 119.600 -0.014 0.000 2.086 85 M HA -0.106 4.374 4.480 0.000 0.000 0.261 85 M C 2.729 178.986 176.300 -0.072 0.000 1.067 85 M CA 2.493 57.773 55.300 -0.033 0.000 1.116 85 M CB -1.197 31.391 32.600 -0.019 0.000 1.348 85 M HN 0.389 nan 8.290 nan 0.000 0.407 86 T N -1.093 113.427 114.554 -0.057 0.000 2.867 86 T HA -0.097 4.253 4.350 0.000 0.000 0.268 86 T C 1.558 176.251 174.700 -0.013 0.000 1.057 86 T CA 1.600 63.670 62.100 -0.049 0.000 1.136 86 T CB -0.656 68.190 68.868 -0.037 0.000 0.874 86 T HN 0.324 nan 8.240 nan 0.000 0.466 87 N N 1.135 119.828 118.700 -0.012 0.000 2.188 87 N HA 0.106 4.846 4.740 0.000 0.000 0.184 87 N C 1.817 177.371 175.510 0.074 0.000 1.018 87 N CA 0.621 53.680 53.050 0.014 0.000 0.858 87 N CB -0.586 37.797 38.487 -0.174 0.000 0.989 87 N HN 0.310 nan 8.380 nan 0.000 0.426 88 L N 0.925 122.166 121.223 0.030 0.000 2.093 88 L HA -0.149 4.191 4.340 0.000 0.000 0.208 88 L C 2.121 179.021 176.870 0.051 0.000 1.085 88 L CA 1.302 56.175 54.840 0.056 0.000 0.755 88 L CB -0.557 41.521 42.059 0.032 0.000 0.904 88 L HN 0.282 nan 8.230 nan 0.000 0.435 89 S N -1.680 114.015 115.700 -0.008 0.000 2.402 89 S HA -0.224 4.246 4.470 0.000 0.000 0.233 89 S C 1.766 176.389 174.600 0.039 0.000 1.030 89 S CA 1.910 60.086 58.200 -0.041 0.000 1.003 89 S CB -0.792 62.355 63.200 -0.088 0.000 0.813 89 S HN 0.431 nan 8.310 nan 0.000 0.477 90 T N 1.513 116.138 114.554 0.117 0.000 2.867 90 T HA 0.078 4.428 4.350 0.000 0.000 0.268 90 T C 1.962 176.853 174.700 0.318 0.000 1.057 90 T CA 1.276 63.489 62.100 0.189 0.000 1.136 90 T CB -0.997 67.965 68.868 0.155 0.000 0.874 90 T HN 0.665 nan 8.240 nan 0.000 0.466 91 G N 1.111 110.102 108.800 0.318 0.000 2.422 91 G HA2 -0.087 3.873 3.960 0.000 0.000 0.218 91 G HA3 -0.087 3.873 3.960 0.000 0.000 0.218 91 G C 1.501 176.439 174.900 0.065 0.000 1.140 91 G CA 0.291 45.476 45.100 0.142 0.000 0.775 91 G HN 0.482 nan 8.290 nan 0.000 0.545 92 I N 1.287 121.887 120.570 0.051 0.000 2.252 92 I HA -0.137 4.033 4.170 0.000 0.000 0.245 92 I C 3.254 179.383 176.117 0.021 0.000 1.102 92 I CA 0.927 62.237 61.300 0.017 0.000 1.385 92 I CB -0.158 37.824 38.000 -0.031 0.000 1.064 92 I HN 0.230 nan 8.210 nan 0.000 0.414 93 A N 0.302 123.142 122.820 0.033 0.000 1.933 93 A HA -0.195 4.125 4.320 0.000 0.000 0.218 93 A C 2.371 179.980 177.584 0.042 0.000 1.175 93 A CA 2.315 54.369 52.037 0.027 0.000 0.628 93 A CB -1.066 17.951 19.000 0.029 0.000 0.814 93 A HN 0.370 nan 8.150 nan 0.000 0.444 94 T N -0.456 114.150 114.554 0.086 0.000 2.720 94 T HA -0.162 4.188 4.350 0.000 0.000 0.268 94 T C 2.264 176.984 174.700 0.034 0.000 1.037 94 T CA 1.933 64.085 62.100 0.086 0.000 1.144 94 T CB -0.293 68.666 68.868 0.151 0.000 0.864 94 T HN 0.585 nan 8.240 nan 0.000 0.444 95 S N -0.018 115.694 115.700 0.020 0.000 2.414 95 S HA -0.012 4.458 4.470 0.000 0.000 0.227 95 S C 2.135 176.733 174.600 -0.003 0.000 1.022 95 S CA 0.755 58.955 58.200 -0.001 0.000 0.958 95 S CB -0.389 62.808 63.200 -0.005 0.000 0.797 95 S HN 0.273 nan 8.310 nan 0.000 0.493 96 V N 1.012 120.928 119.914 0.003 0.000 2.453 96 V HA 0.073 4.193 4.120 0.000 0.000 0.247 96 V C 2.081 178.169 176.094 -0.010 0.000 1.048 96 V CA 1.667 63.967 62.300 -0.000 0.000 1.049 96 V CB -0.243 31.581 31.823 0.001 0.000 0.672 96 V HN 0.556 nan 8.190 nan 0.000 0.457 97 L N -0.677 120.537 121.223 -0.015 0.000 2.202 97 L HA 0.053 4.393 4.340 0.000 0.000 0.205 97 L C 2.027 178.871 176.870 -0.043 0.000 1.083 97 L CA 1.127 55.949 54.840 -0.031 0.000 0.790 97 L CB -0.321 41.717 42.059 -0.036 0.000 0.942 97 L HN 0.273 nan 8.230 nan 0.000 0.452 98 D N -0.104 120.274 120.400 -0.038 0.000 2.323 98 D HA 0.003 4.643 4.640 0.000 0.000 0.209 98 D C -0.186 176.090 176.300 -0.041 0.000 0.973 98 D CA 0.243 54.214 54.000 -0.048 0.000 0.874 98 D CB 0.254 41.028 40.800 -0.044 0.000 0.930 98 D HN -0.053 nan 8.370 nan 0.000 0.521 99 R N 0.142 120.623 120.500 -0.031 0.000 2.534 99 R HA -0.079 4.261 4.340 0.000 0.000 0.330 99 R C -0.852 175.428 176.300 -0.034 0.000 1.000 99 R CA 0.023 56.107 56.100 -0.025 0.000 0.702 99 R CB -3.086 27.203 30.300 -0.019 0.000 2.044 99 R HN 0.301 nan 8.270 nan 0.000 0.463 100 S N 0.072 115.752 115.700 -0.032 0.000 2.540 100 S HA 0.769 5.239 4.470 0.000 0.000 0.275 100 S C -2.790 171.793 174.600 -0.028 0.000 1.123 100 S CA -1.668 56.506 58.200 -0.043 0.000 0.907 100 S CB 3.618 66.778 63.200 -0.066 0.000 1.081 100 S HN 0.143 nan 8.310 nan 0.000 0.476 101 P HA 0.316 nan 4.420 nan 0.000 0.260 101 P C -0.888 176.402 177.300 -0.017 0.000 1.651 101 P CA -0.223 62.864 63.100 -0.021 0.000 1.139 101 P CB 0.272 31.958 31.700 -0.023 0.000 1.756 102 V N 5.521 125.432 119.914 -0.005 0.000 2.459 102 V HA 0.314 4.434 4.120 0.000 0.000 0.295 102 V C 0.440 176.555 176.094 0.035 0.000 1.029 102 V CA -0.794 61.513 62.300 0.010 0.000 0.874 102 V CB 2.127 33.952 31.823 0.004 0.000 0.985 102 V HN 0.284 nan 8.190 nan 0.000 0.438 103 I N 4.296 124.893 120.570 0.045 0.000 2.297 103 I HA 0.558 4.728 4.170 0.000 0.000 0.291 103 I C 0.546 176.726 176.117 0.106 0.000 1.033 103 I CA -0.439 60.899 61.300 0.063 0.000 1.253 103 I CB 0.919 38.942 38.000 0.039 0.000 1.396 103 I HN 0.690 nan 8.210 nan 0.000 0.476 104 A N 8.207 131.114 122.820 0.145 0.000 2.304 104 A HA 0.870 5.190 4.320 0.000 0.000 0.323 104 A C -0.596 177.072 177.584 0.139 0.000 1.195 104 A CA -0.471 51.686 52.037 0.199 0.000 0.826 104 A CB 0.799 19.972 19.000 0.288 0.000 1.184 104 A HN 0.645 nan 8.150 nan 0.000 0.496 105 L N 1.827 123.061 121.223 0.018 0.000 2.385 105 L HA 0.795 5.135 4.340 0.000 0.000 0.273 105 L C 0.082 176.669 176.870 -0.470 0.000 0.990 105 L CA -0.402 54.255 54.840 -0.305 0.000 0.821 105 L CB 2.208 44.099 42.059 -0.280 0.000 1.279 105 L HN 0.784 nan 8.230 nan 0.000 0.412 106 A N 2.084 124.617 122.820 -0.479 0.000 2.422 106 A HA 0.893 5.213 4.320 0.000 0.000 0.302 106 A C -0.222 177.139 177.584 -0.373 0.000 1.041 106 A CA -0.453 51.371 52.037 -0.355 0.000 0.708 106 A CB 1.552 20.630 19.000 0.130 0.000 1.257 106 A HN 0.797 nan 8.150 nan 0.000 0.414 107 A N 1.049 123.677 122.820 -0.320 0.000 2.492 107 A HA 0.500 4.820 4.320 0.000 0.000 0.236 107 A C 0.252 177.800 177.584 -0.061 0.000 1.078 107 A CA 0.569 52.531 52.037 -0.125 0.000 0.773 107 A CB 0.215 19.223 19.000 0.013 0.000 1.023 107 A HN 1.105 nan 8.150 nan 0.000 0.504 108 Q N 0.071 119.847 119.800 -0.039 0.000 2.484 108 Q HA 0.547 4.887 4.340 0.000 0.000 0.285 108 Q C -0.280 175.710 176.000 -0.017 0.000 1.097 108 Q CA -0.300 55.487 55.803 -0.026 0.000 0.802 108 Q CB 1.686 30.400 28.738 -0.040 0.000 1.444 108 Q HN 0.767 nan 8.270 nan 0.000 0.429 109 S N 1.543 117.229 115.700 -0.024 0.000 2.549 109 S HA 0.023 4.493 4.470 0.000 0.000 0.278 109 S C -0.493 174.079 174.600 -0.048 0.000 1.344 109 S CA -0.093 58.088 58.200 -0.031 0.000 1.025 109 S CB 0.008 63.176 63.200 -0.053 0.000 0.851 109 S HN 0.548 nan 8.310 nan 0.000 0.530 110 E N 1.523 121.695 120.200 -0.047 0.000 2.481 110 E HA -0.001 4.349 4.350 0.000 0.000 0.263 110 E C 1.374 177.927 176.600 -0.079 0.000 0.992 110 E CA 0.514 56.898 56.400 -0.025 0.000 0.938 110 E CB 0.329 30.034 29.700 0.008 0.000 0.933 110 E HN 0.632 nan 8.360 nan 0.000 0.453 111 S N 3.171 118.886 115.700 0.025 0.000 2.374 111 S HA -0.289 4.181 4.470 0.000 0.000 0.227 111 S C 1.723 176.293 174.600 -0.050 0.000 1.037 111 S CA 1.684 59.879 58.200 -0.009 0.000 1.024 111 S CB -0.547 62.672 63.200 0.031 0.000 0.861 111 S HN 0.768 nan 8.310 nan 0.000 0.456 112 H N 0.008 119.020 119.070 -0.097 0.000 2.546 112 H HA 0.199 4.755 4.556 0.000 0.000 0.277 112 H C 0.507 175.719 175.328 -0.192 0.000 1.004 112 H CA 1.198 57.180 56.048 -0.111 0.000 1.231 112 H CB -0.528 29.213 29.762 -0.036 0.000 1.382 112 H HN 0.473 nan 8.280 nan 0.000 0.580 113 D N 0.584 120.613 120.400 -0.618 0.000 2.501 113 D HA 0.198 4.838 4.640 0.000 0.000 0.226 113 D C -0.124 175.856 176.300 -0.533 0.000 1.198 113 D CA -0.302 53.390 54.000 -0.514 0.000 0.830 113 D CB -0.282 40.279 40.800 -0.397 0.000 1.014 113 D HN 0.303 nan 8.370 nan 0.000 0.496 114 I N 1.549 121.735 120.570 -0.641 0.000 2.311 114 I HA 0.131 4.301 4.170 0.000 0.000 0.297 114 I C -0.563 175.168 176.117 -0.643 0.000 1.131 114 I CA -0.090 60.938 61.300 -0.454 0.000 1.289 114 I CB -0.061 37.776 38.000 -0.271 0.000 1.446 114 I HN -0.112 nan 8.210 nan 0.000 0.524 115 F N 7.059 126.995 119.950 -0.024 0.000 2.564 115 F HA 0.402 4.929 4.527 -0.000 0.000 0.368 115 F C -2.246 173.546 175.800 -0.013 0.000 1.127 115 F CA -3.017 54.974 58.000 -0.015 0.000 1.170 115 F CB 0.567 39.559 39.000 -0.014 0.000 1.397 115 F HN 0.228 nan 8.300 nan 0.000 0.493 116 P HA 0.040 nan 4.420 nan 0.000 0.262 116 P C 0.152 177.493 177.300 0.068 0.000 1.182 116 P CA 0.682 63.820 63.100 0.063 0.000 0.761 116 P CB 0.414 32.136 31.700 0.036 0.000 0.795 117 N N 0.912 119.637 118.700 0.043 0.000 2.828 117 N HA -0.173 4.567 4.740 0.000 0.000 0.248 117 N C 0.193 175.728 175.510 0.042 0.000 1.044 117 N CA 1.314 54.383 53.050 0.031 0.000 0.851 117 N CB -1.458 37.042 38.487 0.021 0.000 1.136 117 N HN 0.530 nan 8.380 nan 0.000 0.572 118 D N -0.984 119.460 120.400 0.073 0.000 2.871 118 D HA 0.073 4.713 4.640 0.000 0.000 0.291 118 D C 0.186 176.544 176.300 0.098 0.000 1.150 118 D CA 0.589 54.630 54.000 0.068 0.000 0.999 118 D CB -0.036 40.792 40.800 0.047 0.000 1.452 118 D HN 0.022 nan 8.370 nan 0.000 0.465 119 T N 1.045 115.693 114.554 0.157 0.000 2.940 119 T HA -0.023 4.327 4.350 0.000 0.000 0.309 119 T C 0.202 174.975 174.700 0.121 0.000 1.056 119 T CA 0.168 62.362 62.100 0.157 0.000 1.137 119 T CB 0.366 69.332 68.868 0.164 0.000 0.976 119 T HN 0.098 nan 8.240 nan 0.000 0.547 120 H N 2.838 121.932 119.070 0.040 0.000 3.157 120 H HA -0.012 4.544 4.556 0.000 0.000 0.299 120 H C 1.062 176.403 175.328 0.022 0.000 0.961 120 H CA 1.115 57.179 56.048 0.027 0.000 1.428 120 H CB -0.112 29.663 29.762 0.022 0.000 1.459 120 H HN 0.788 nan 8.280 nan 0.000 0.566 121 Q N 1.438 121.008 119.800 -0.384 0.000 2.416 121 Q HA -0.262 4.078 4.340 0.000 0.000 0.235 121 Q C -0.498 175.434 176.000 -0.113 0.000 0.773 121 Q CA 1.007 56.630 55.803 -0.300 0.000 1.286 121 Q CB -1.776 26.753 28.738 -0.347 0.000 1.556 121 Q HN 0.624 nan 8.270 nan 0.000 0.650 122 C N 1.338 120.604 119.300 -0.057 0.000 2.265 122 C HA 0.689 5.149 4.460 0.000 0.000 0.332 122 C C 0.218 175.200 174.990 -0.013 0.000 1.248 122 C CA -0.436 58.570 59.018 -0.021 0.000 1.727 122 C CB -0.328 27.416 27.740 0.007 0.000 2.348 122 C HN 0.344 nan 8.230 nan 0.000 0.519 123 L N 4.082 125.295 121.223 -0.016 0.000 2.301 123 L HA 0.478 4.818 4.340 0.000 0.000 0.264 123 L C -0.214 176.653 176.870 -0.005 0.000 1.016 123 L CA -0.544 54.289 54.840 -0.012 0.000 0.821 123 L CB 1.328 43.373 42.059 -0.024 0.000 1.346 123 L HN 0.459 nan 8.230 nan 0.000 0.429 124 D N -0.094 120.303 120.400 -0.006 0.000 2.563 124 D HA 0.135 4.776 4.640 0.000 0.000 0.222 124 D C 0.797 177.097 176.300 -0.001 0.000 1.145 124 D CA 0.118 54.117 54.000 -0.001 0.000 1.001 124 D CB 0.712 41.510 40.800 -0.003 0.000 1.049 124 D HN 0.416 nan 8.370 nan 0.000 0.515 125 S N 0.617 116.334 115.700 0.028 0.000 2.370 125 S HA -0.135 4.335 4.470 0.000 0.000 0.226 125 S C 2.128 176.753 174.600 0.043 0.000 1.033 125 S CA 0.730 58.954 58.200 0.041 0.000 1.011 125 S CB 0.072 63.397 63.200 0.208 0.000 0.852 125 S HN 0.424 nan 8.310 nan 0.000 0.457 126 V N 1.918 121.908 119.914 0.127 0.000 2.343 126 V HA -0.190 3.930 4.120 0.000 0.000 0.247 126 V C 2.622 178.722 176.094 0.009 0.000 1.051 126 V CA 1.674 64.043 62.300 0.115 0.000 1.036 126 V CB -1.172 30.689 31.823 0.064 0.000 0.654 126 V HN 0.550 nan 8.190 nan 0.000 0.451 127 A N -0.315 122.499 122.820 -0.010 0.000 1.930 127 A HA -0.133 4.187 4.320 0.000 0.000 0.217 127 A C 2.150 179.704 177.584 -0.048 0.000 1.175 127 A CA 1.706 53.727 52.037 -0.027 0.000 0.627 127 A CB -0.486 18.502 19.000 -0.020 0.000 0.815 127 A HN 0.522 nan 8.150 nan 0.000 0.443 128 I N -0.923 119.605 120.570 -0.071 0.000 2.353 128 I HA -0.138 4.032 4.170 0.000 0.000 0.248 128 I C 1.933 177.967 176.117 -0.138 0.000 1.119 128 I CA 0.878 62.119 61.300 -0.099 0.000 1.417 128 I CB 0.093 38.027 38.000 -0.110 0.000 1.078 128 I HN 0.143 nan 8.210 nan 0.000 0.421 129 V N 0.110 119.908 119.914 -0.193 0.000 3.307 129 V HA 0.119 4.239 4.120 0.000 0.000 0.253 129 V C 2.448 178.465 176.094 -0.129 0.000 1.149 129 V CA 0.994 63.137 62.300 -0.262 0.000 1.112 129 V CB -0.021 31.416 31.823 -0.643 0.000 0.777 129 V HN 0.365 nan 8.190 nan 0.000 0.464 130 A N 1.436 124.214 122.820 -0.070 0.000 1.917 130 A HA -0.146 4.174 4.320 0.000 0.000 0.219 130 A C 0.441 178.008 177.584 -0.028 0.000 1.182 130 A CA 2.251 54.269 52.037 -0.033 0.000 0.633 130 A CB -1.800 17.181 19.000 -0.031 0.000 0.819 130 A HN 0.563 nan 8.150 nan 0.000 0.448 131 P HA -0.062 nan 4.420 nan 0.000 0.226 131 P C 1.111 178.396 177.300 -0.025 0.000 1.153 131 P CA 1.248 64.333 63.100 -0.026 0.000 0.777 131 P CB -0.159 31.523 31.700 -0.031 0.000 0.794 132 M N -2.562 117.016 119.600 -0.037 0.000 2.673 132 M HA 0.385 4.865 4.480 0.000 0.000 0.334 132 M C -0.395 175.895 176.300 -0.017 0.000 1.211 132 M CA -0.351 54.931 55.300 -0.031 0.000 0.962 132 M CB 0.335 32.907 32.600 -0.046 0.000 1.343 132 M HN -0.248 nan 8.290 nan 0.000 0.511 133 S N -1.355 114.345 115.700 0.001 0.000 2.607 133 S HA 0.564 5.034 4.470 0.000 0.000 0.273 133 S C 0.225 174.860 174.600 0.059 0.000 1.148 133 S CA -0.981 57.241 58.200 0.036 0.000 0.833 133 S CB 1.666 64.900 63.200 0.057 0.000 1.130 133 S HN 0.151 nan 8.310 nan 0.000 0.470 134 K N -0.298 120.157 120.400 0.091 0.000 2.366 134 K HA 0.224 4.544 4.320 0.000 0.000 0.198 134 K C -0.603 176.113 176.600 0.192 0.000 1.044 134 K CA 0.888 57.240 56.287 0.108 0.000 0.973 134 K CB -0.452 32.102 32.500 0.090 0.000 0.767 134 K HN 0.726 nan 8.250 nan 0.000 0.475 135 Y N -1.011 119.309 120.300 0.034 0.000 2.380 135 Y HA 0.383 4.933 4.550 -0.000 0.000 0.320 135 Y C -2.132 173.814 175.900 0.078 0.000 1.272 135 Y CA -1.086 57.036 58.100 0.038 0.000 1.165 135 Y CB 0.913 39.384 38.460 0.019 0.000 1.319 135 Y HN -0.067 nan 8.280 nan 0.000 0.443 136 A N 4.878 127.489 122.820 -0.349 0.000 2.427 136 A HA 0.874 5.194 4.320 0.000 0.000 0.298 136 A C -2.108 175.251 177.584 -0.374 0.000 1.036 136 A CA -0.396 51.544 52.037 -0.161 0.000 0.701 136 A CB 1.750 20.784 19.000 0.057 0.000 1.250 136 A HN 1.335 nan 8.150 nan 0.000 0.412 137 V N 1.117 120.861 119.914 -0.285 0.000 3.204 137 V HA 0.613 4.733 4.120 0.000 0.000 0.298 137 V C -1.356 174.623 176.094 -0.193 0.000 1.328 137 V CA -0.481 61.656 62.300 -0.272 0.000 1.035 137 V CB 2.135 33.745 31.823 -0.355 0.000 1.095 137 V HN 1.028 nan 8.190 nan 0.000 0.442 138 E N 3.208 123.327 120.200 -0.135 0.000 2.158 138 E HA 0.450 4.800 4.350 0.000 0.000 0.271 138 E C -1.100 175.442 176.600 -0.096 0.000 0.911 138 E CA -0.878 55.450 56.400 -0.120 0.000 0.767 138 E CB 1.791 31.445 29.700 -0.077 0.000 1.120 138 E HN 0.668 nan 8.360 nan 0.000 0.405 139 L N 4.240 125.404 121.223 -0.099 0.000 2.540 139 L HA -0.054 4.286 4.340 0.000 0.000 0.276 139 L C 0.453 177.293 176.870 -0.050 0.000 1.212 139 L CA 1.295 56.094 54.840 -0.069 0.000 0.893 139 L CB 0.525 42.545 42.059 -0.064 0.000 1.138 139 L HN 0.747 nan 8.230 nan 0.000 0.491 140 Q N 3.566 123.342 119.800 -0.039 0.000 2.404 140 Q HA 0.297 4.637 4.340 0.000 0.000 0.262 140 Q C -0.183 175.813 176.000 -0.006 0.000 0.846 140 Q CA 0.082 55.871 55.803 -0.023 0.000 0.978 140 Q CB 0.819 29.544 28.738 -0.021 0.000 1.156 140 Q HN 0.578 nan 8.270 nan 0.000 0.548 141 R N 0.777 121.270 120.500 -0.012 0.000 2.451 141 R HA 0.240 4.580 4.340 0.000 0.000 0.307 141 R C -2.215 174.088 176.300 0.005 0.000 0.965 141 R CA -1.840 54.275 56.100 0.024 0.000 0.865 141 R CB 1.460 31.795 30.300 0.059 0.000 1.174 141 R HN -0.118 nan 8.270 nan 0.000 0.455 142 P HA -0.277 nan 4.420 nan 0.000 0.216 142 P C 0.922 178.243 177.300 0.035 0.000 1.154 142 P CA 1.443 64.568 63.100 0.042 0.000 0.865 142 P CB 0.010 31.748 31.700 0.064 0.000 0.789 143 H N -0.334 118.748 119.070 0.019 0.000 2.546 143 H HA 0.059 4.615 4.556 0.000 0.000 0.277 143 H C 0.998 176.342 175.328 0.027 0.000 1.004 143 H CA 0.932 56.994 56.048 0.023 0.000 1.231 143 H CB -0.526 29.247 29.762 0.017 0.000 1.382 143 H HN 0.237 nan 8.280 nan 0.000 0.580 144 E N 0.261 120.127 120.200 -0.557 0.000 2.478 144 E HA 0.002 4.352 4.350 0.000 0.000 0.194 144 E C 1.771 178.283 176.600 -0.147 0.000 1.045 144 E CA 0.040 56.196 56.400 -0.407 0.000 0.868 144 E CB 0.082 29.574 29.700 -0.347 0.000 0.885 144 E HN 0.264 nan 8.360 nan 0.000 0.505 145 I N 1.477 121.996 120.570 -0.086 0.000 2.315 145 I HA -0.305 3.865 4.170 0.000 0.000 0.251 145 I C 1.929 178.048 176.117 0.003 0.000 1.125 145 I CA 1.637 62.924 61.300 -0.023 0.000 1.392 145 I CB -0.329 37.675 38.000 0.007 0.000 1.065 145 I HN -0.003 nan 8.210 nan 0.000 0.424 146 T N 0.681 115.238 114.554 0.006 0.000 2.708 146 T HA -0.207 4.143 4.350 0.000 0.000 0.266 146 T C 1.418 176.135 174.700 0.029 0.000 1.037 146 T CA 1.845 63.964 62.100 0.031 0.000 1.146 146 T CB -0.586 68.305 68.868 0.039 0.000 0.865 146 T HN 0.712 nan 8.240 nan 0.000 0.435 147 D N 1.132 121.533 120.400 0.001 0.000 2.183 147 D HA -0.033 4.607 4.640 0.000 0.000 0.203 147 D C 1.981 178.281 176.300 0.001 0.000 0.969 147 D CA 0.666 54.668 54.000 0.003 0.000 0.842 147 D CB -0.704 40.093 40.800 -0.006 0.000 0.957 147 D HN 0.337 nan 8.370 nan 0.000 0.484 148 L N 0.249 121.477 121.223 0.009 0.000 2.056 148 L HA -0.090 4.250 4.340 0.000 0.000 0.207 148 L C 2.536 179.402 176.870 -0.007 0.000 1.078 148 L CA 0.540 55.409 54.840 0.047 0.000 0.749 148 L CB -0.365 41.731 42.059 0.061 0.000 0.901 148 L HN 0.043 nan 8.230 nan 0.000 0.433 149 V N -0.023 119.890 119.914 -0.002 0.000 2.332 149 V HA -0.302 3.818 4.120 0.000 0.000 0.248 149 V C 2.121 178.155 176.094 -0.101 0.000 1.055 149 V CA 1.956 64.242 62.300 -0.023 0.000 1.038 149 V CB -0.511 31.342 31.823 0.050 0.000 0.651 149 V HN 0.432 nan 8.190 nan 0.000 0.450 150 D N -0.090 120.297 120.400 -0.022 0.000 2.117 150 D HA -0.111 4.529 4.640 0.000 0.000 0.197 150 D C 2.445 178.647 176.300 -0.164 0.000 0.987 150 D CA 1.658 55.649 54.000 -0.015 0.000 0.829 150 D CB -0.257 40.586 40.800 0.072 0.000 0.961 150 D HN 0.370 nan 8.370 nan 0.000 0.460 151 S N 0.237 115.797 115.700 -0.233 0.000 2.406 151 S HA -0.050 4.420 4.470 0.000 0.000 0.228 151 S C 2.047 176.175 174.600 -0.787 0.000 1.020 151 S CA 0.831 58.779 58.200 -0.421 0.000 0.965 151 S CB -0.070 62.911 63.200 -0.365 0.000 0.798 151 S HN 0.347 nan 8.310 nan 0.000 0.488 152 A N 1.112 123.478 122.820 -0.758 0.000 1.902 152 A HA -0.039 4.281 4.320 0.000 0.000 0.217 152 A C 2.293 179.675 177.584 -0.337 0.000 1.181 152 A CA 1.406 53.087 52.037 -0.594 0.000 0.623 152 A CB -0.845 18.025 19.000 -0.217 0.000 0.818 152 A HN 0.344 nan 8.150 nan 0.000 0.443 153 V N 0.848 120.568 119.914 -0.324 0.000 2.427 153 V HA -0.215 3.905 4.120 0.000 0.000 0.248 153 V C 2.274 178.246 176.094 -0.203 0.000 1.051 153 V CA 2.005 64.126 62.300 -0.299 0.000 1.048 153 V CB -0.933 30.556 31.823 -0.556 0.000 0.666 153 V HN 0.535 nan 8.190 nan 0.000 0.456 154 N N 0.660 119.237 118.700 -0.205 0.000 2.120 154 N HA -0.101 4.639 4.740 0.000 0.000 0.188 154 N C 1.801 177.243 175.510 -0.113 0.000 1.024 154 N CA 1.730 54.700 53.050 -0.134 0.000 0.852 154 N CB -0.365 38.044 38.487 -0.131 0.000 1.003 154 N HN 0.493 nan 8.380 nan 0.000 0.424 155 A N 0.316 123.044 122.820 -0.154 0.000 1.975 155 A HA 0.283 4.603 4.320 0.000 0.000 0.215 155 A C 2.256 179.817 177.584 -0.038 0.000 1.170 155 A CA 1.245 53.239 52.037 -0.071 0.000 0.656 155 A CB -0.485 18.494 19.000 -0.036 0.000 0.821 155 A HN 0.272 nan 8.150 nan 0.000 0.449 156 A N -0.713 122.069 122.820 -0.063 0.000 1.902 156 A HA -0.035 4.285 4.320 0.000 0.000 0.217 156 A C 1.816 179.381 177.584 -0.032 0.000 1.181 156 A CA 1.599 53.615 52.037 -0.036 0.000 0.623 156 A CB -0.351 18.618 19.000 -0.052 0.000 0.818 156 A HN 0.378 nan 8.150 nan 0.000 0.443 157 M N 0.974 120.548 119.600 -0.044 0.000 2.571 157 M HA 0.123 4.603 4.480 0.000 0.000 0.235 157 M C -0.444 175.843 176.300 -0.021 0.000 1.216 157 M CA 0.490 55.773 55.300 -0.029 0.000 0.979 157 M CB -0.823 31.759 32.600 -0.030 0.000 1.616 157 M HN 0.146 nan 8.290 nan 0.000 0.469 158 T N 0.983 115.525 114.554 -0.019 0.000 2.824 158 T HA 0.295 4.645 4.350 0.000 0.000 0.280 158 T C 0.348 175.043 174.700 -0.008 0.000 0.995 158 T CA -0.654 61.439 62.100 -0.013 0.000 1.009 158 T CB 1.980 70.842 68.868 -0.010 0.000 0.955 158 T HN 0.106 nan 8.240 nan 0.000 0.452 159 E N 3.560 123.754 120.200 -0.010 0.000 2.360 159 E HA 0.199 4.549 4.350 0.000 0.000 0.269 159 E C -2.210 174.386 176.600 -0.005 0.000 1.022 159 E CA -1.997 54.398 56.400 -0.009 0.000 0.887 159 E CB 0.530 30.221 29.700 -0.016 0.000 0.990 159 E HN 0.337 nan 8.360 nan 0.000 0.426 160 P HA 0.015 nan 4.420 nan 0.000 0.276 160 P C 0.058 177.358 177.300 -0.001 0.000 1.253 160 P CA -0.366 62.732 63.100 -0.002 0.000 0.766 160 P CB 0.449 32.149 31.700 -0.001 0.000 0.845 161 V N 1.735 121.647 119.914 -0.003 0.000 3.032 161 V HA 0.641 4.761 4.120 0.000 0.000 0.307 161 V C 0.599 176.691 176.094 -0.003 0.000 1.097 161 V CA 0.594 62.891 62.300 -0.005 0.000 1.191 161 V CB -0.153 31.666 31.823 -0.007 0.000 0.964 161 V HN 0.869 nan 8.190 nan 0.000 0.494 162 G N 3.128 111.928 108.800 0.000 0.000 2.489 162 G HA2 0.630 4.590 3.960 0.000 0.000 0.305 162 G HA3 0.630 4.590 3.960 0.000 0.000 0.305 162 G C -3.505 171.406 174.900 0.017 0.000 1.311 162 G CA -0.556 44.548 45.100 0.007 0.000 0.813 162 G HN 0.736 nan 8.290 nan 0.000 0.480 163 P HA 0.513 nan 4.420 nan 0.000 0.286 163 P C -0.772 176.588 177.300 0.101 0.000 1.261 163 P CA -0.287 62.847 63.100 0.056 0.000 0.821 163 P CB 1.873 33.606 31.700 0.055 0.000 1.013 164 S N 1.765 117.542 115.700 0.128 0.000 2.500 164 S HA 0.606 5.076 4.470 0.000 0.000 0.301 164 S C -1.061 173.703 174.600 0.273 0.000 1.092 164 S CA -0.309 58.025 58.200 0.223 0.000 1.030 164 S CB 0.535 63.826 63.200 0.152 0.000 1.031 164 S HN 0.405 nan 8.310 nan 0.000 0.483 165 F N 3.604 123.631 119.950 0.129 0.000 2.482 165 F HA 0.686 5.213 4.527 0.000 0.000 0.331 165 F C -1.219 174.601 175.800 0.033 0.000 1.115 165 F CA -1.076 56.949 58.000 0.041 0.000 0.955 165 F CB 0.633 39.626 39.000 -0.012 0.000 1.136 165 F HN 0.435 nan 8.300 nan 0.000 0.452 166 I N 4.959 125.044 120.570 -0.808 0.000 2.439 166 I HA 0.242 4.412 4.170 0.000 0.000 0.285 166 I C -0.477 175.015 176.117 -1.042 0.000 1.021 166 I CA -0.736 60.156 61.300 -0.680 0.000 1.091 166 I CB 1.842 39.676 38.000 -0.277 0.000 1.242 166 I HN 0.519 nan 8.210 nan 0.000 0.439 167 S N 7.303 122.500 115.700 -0.838 0.000 2.499 167 S HA 0.645 5.115 4.470 0.000 0.000 0.279 167 S C -0.583 173.844 174.600 -0.288 0.000 1.219 167 S CA -0.449 57.432 58.200 -0.531 0.000 1.062 167 S CB 0.385 63.455 63.200 -0.218 0.000 0.978 167 S HN 0.475 nan 8.310 nan 0.000 0.489 168 L N 6.865 127.947 121.223 -0.235 0.000 2.384 168 L HA 0.403 4.743 4.340 0.000 0.000 0.261 168 L C -2.435 174.389 176.870 -0.076 0.000 1.024 168 L CA -2.101 52.651 54.840 -0.147 0.000 0.899 168 L CB 1.559 43.522 42.059 -0.161 0.000 1.243 168 L HN 0.444 nan 8.230 nan 0.000 0.449 169 P HA -0.022 nan 4.420 nan 0.000 0.265 169 P C 1.140 178.445 177.300 0.008 0.000 1.193 169 P CA -0.008 63.078 63.100 -0.023 0.000 0.765 169 P CB 1.090 32.777 31.700 -0.022 0.000 0.823 170 V N 3.034 122.962 119.914 0.024 0.000 2.407 170 V HA -0.238 3.882 4.120 0.000 0.000 0.248 170 V C 1.968 178.090 176.094 0.047 0.000 1.055 170 V CA 2.425 64.752 62.300 0.046 0.000 1.049 170 V CB -1.065 30.790 31.823 0.054 0.000 0.662 170 V HN 0.660 nan 8.190 nan 0.000 0.455 171 D N 0.438 120.869 120.400 0.051 0.000 2.097 171 D HA -0.189 4.451 4.640 0.000 0.000 0.197 171 D C 2.020 178.342 176.300 0.036 0.000 0.984 171 D CA 1.376 55.407 54.000 0.052 0.000 0.826 171 D CB -0.598 40.250 40.800 0.080 0.000 0.973 171 D HN 0.431 nan 8.370 nan 0.000 0.460 172 L N -0.414 120.828 121.223 0.032 0.000 2.093 172 L HA -0.092 4.248 4.340 0.000 0.000 0.208 172 L C 2.671 179.557 176.870 0.028 0.000 1.085 172 L CA 0.453 55.307 54.840 0.024 0.000 0.755 172 L CB -0.501 41.566 42.059 0.013 0.000 0.904 172 L HN 0.050 nan 8.230 nan 0.000 0.435 173 L N 0.562 121.805 121.223 0.033 0.000 2.083 173 L HA -0.070 4.270 4.340 0.000 0.000 0.209 173 L C 2.076 178.968 176.870 0.036 0.000 1.083 173 L CA 1.952 56.820 54.840 0.047 0.000 0.752 173 L CB -0.877 41.229 42.059 0.078 0.000 0.899 173 L HN 0.133 nan 8.230 nan 0.000 0.433 174 G N -1.610 107.207 108.800 0.028 0.000 3.141 174 G HA2 0.061 4.021 3.960 0.000 0.000 0.218 174 G HA3 0.061 4.021 3.960 0.000 0.000 0.218 174 G C 0.501 175.408 174.900 0.013 0.000 1.170 174 G CA 0.529 45.638 45.100 0.015 0.000 0.769 174 G HN 0.406 nan 8.290 nan 0.000 0.546 175 S N -0.219 115.493 115.700 0.020 0.000 2.617 175 S HA 0.455 4.925 4.470 0.000 0.000 0.283 175 S C 1.290 175.903 174.600 0.021 0.000 1.189 175 S CA 0.260 58.471 58.200 0.017 0.000 1.036 175 S CB 1.649 64.860 63.200 0.020 0.000 1.014 175 S HN 0.262 nan 8.310 nan 0.000 0.522 176 S N 1.745 117.453 115.700 0.013 0.000 2.554 176 S HA 0.263 4.733 4.470 0.000 0.000 0.226 176 S C 0.292 174.903 174.600 0.017 0.000 0.980 176 S CA -0.460 57.748 58.200 0.013 0.000 0.939 176 S CB -0.258 62.939 63.200 -0.006 0.000 0.832 176 S HN 0.815 nan 8.310 nan 0.000 0.486 177 E N 1.456 121.669 120.200 0.021 0.000 2.493 177 E HA 0.292 4.642 4.350 0.000 0.000 0.255 177 E C 1.107 177.728 176.600 0.036 0.000 0.999 177 E CA 0.937 57.349 56.400 0.019 0.000 0.934 177 E CB -0.012 29.700 29.700 0.020 0.000 0.940 177 E HN 0.633 nan 8.360 nan 0.000 0.473 178 G N 4.197 112.991 108.800 -0.009 0.000 2.179 178 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 178 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 178 G C 0.243 175.117 174.900 -0.043 0.000 0.977 178 G CA 0.168 45.222 45.100 -0.076 0.000 0.641 178 G HN 0.566 nan 8.290 nan 0.000 0.533 179 I N 2.088 122.669 120.570 0.018 0.000 2.307 179 I HA 0.576 4.746 4.170 0.000 0.000 0.289 179 I C 0.649 176.769 176.117 0.005 0.000 1.021 179 I CA 0.386 61.711 61.300 0.042 0.000 1.224 179 I CB 0.880 38.917 38.000 0.062 0.000 1.376 179 I HN 0.299 nan 8.210 nan 0.000 0.470 185 N N 3.484 122.195 118.700 0.020 0.000 2.442 185 N HA 0.290 5.030 4.740 0.000 0.000 0.265 185 N C -1.643 173.868 175.510 0.001 0.000 1.138 185 N CA -0.577 52.482 53.050 0.015 0.000 0.956 185 N CB 0.667 39.160 38.487 0.011 0.000 1.067 185 N HN 0.349 nan 8.380 nan 0.000 0.474 186 P HA 0.263 nan 4.420 nan 0.000 0.272 186 P C -2.590 174.695 177.300 -0.026 0.000 1.230 186 P CA -0.923 62.174 63.100 -0.005 0.000 0.788 186 P CB -0.362 31.340 31.700 0.004 0.000 0.949 187 P HA 0.104 nan 4.420 nan 0.000 0.271 187 P C 0.415 177.670 177.300 -0.075 0.000 1.218 187 P CA -0.141 62.931 63.100 -0.048 0.000 0.780 187 P CB 0.398 32.081 31.700 -0.029 0.000 0.901 188 A N 2.683 125.419 122.820 -0.141 0.000 1.929 188 A HA -0.110 4.210 4.320 0.000 0.000 0.216 188 A C 0.711 178.238 177.584 -0.095 0.000 1.176 188 A CA 0.651 52.529 52.037 -0.265 0.000 0.628 188 A CB -1.113 17.555 19.000 -0.553 0.000 0.816 188 A HN 0.656 nan 8.150 nan 0.000 0.444 189 N N 0.626 119.299 118.700 -0.046 0.000 2.705 189 N HA -0.117 4.623 4.740 0.000 0.000 0.255 189 N C -0.598 174.947 175.510 0.059 0.000 1.008 189 N CA 1.356 54.412 53.050 0.009 0.000 0.742 189 N CB -1.991 36.507 38.487 0.017 0.000 0.906 189 N HN 0.479 nan 8.380 nan 0.000 0.541 190 T N 1.791 116.393 114.554 0.080 0.000 2.817 190 T HA 0.204 4.554 4.350 0.000 0.000 0.295 190 T C -1.728 173.017 174.700 0.075 0.000 0.958 190 T CA -0.605 61.585 62.100 0.150 0.000 1.157 190 T CB 0.559 69.537 68.868 0.184 0.000 0.898 190 T HN 0.084 nan 8.240 nan 0.000 0.536 191 P HA 0.196 nan 4.420 nan 0.000 0.264 191 P C 0.423 177.742 177.300 0.032 0.000 1.193 191 P CA -0.203 62.917 63.100 0.033 0.000 0.763 191 P CB 0.464 32.175 31.700 0.019 0.000 0.810 192 A N 4.135 126.971 122.820 0.028 0.000 1.968 192 A HA -0.061 4.259 4.320 0.000 0.000 0.217 192 A C 0.872 178.472 177.584 0.026 0.000 1.169 192 A CA 1.324 53.377 52.037 0.028 0.000 0.638 192 A CB -0.459 18.556 19.000 0.025 0.000 0.812 192 A HN 0.652 nan 8.150 nan 0.000 0.446 193 K N -1.032 119.381 120.400 0.022 0.000 2.512 193 K HA 0.584 4.904 4.320 0.000 0.000 0.263 193 K C -3.372 173.235 176.600 0.012 0.000 0.966 193 K CA -2.158 54.141 56.287 0.020 0.000 0.851 193 K CB 1.205 33.717 32.500 0.020 0.000 1.395 193 K HN -0.211 nan 8.250 nan 0.000 0.440 194 P HA -0.074 nan 4.420 nan 0.000 0.264 194 P C -0.645 176.651 177.300 -0.006 0.000 1.179 194 P CA -0.346 62.755 63.100 0.001 0.000 0.763 194 P CB 0.412 32.113 31.700 0.001 0.000 0.806 195 V N 3.216 123.125 119.914 -0.009 0.000 2.572 195 V HA 0.437 4.557 4.120 0.000 0.000 0.291 195 V C 1.140 177.223 176.094 -0.020 0.000 1.039 195 V CA 0.643 62.936 62.300 -0.012 0.000 1.055 195 V CB 0.529 32.346 31.823 -0.010 0.000 0.969 195 V HN 0.801 nan 8.190 nan 0.000 0.482 196 G N 3.033 111.815 108.800 -0.030 0.000 2.685 196 G HA2 0.713 4.673 3.960 0.000 0.000 0.298 196 G HA3 0.713 4.673 3.960 0.000 0.000 0.298 196 G C -0.651 174.221 174.900 -0.046 0.000 1.277 196 G CA -0.596 44.478 45.100 -0.043 0.000 0.986 196 G HN 0.813 nan 8.290 nan 0.000 0.487 197 V N -1.999 117.884 119.914 -0.052 0.000 2.863 197 V HA 0.797 4.917 4.120 0.000 0.000 0.307 197 V C -0.255 175.787 176.094 -0.087 0.000 1.061 197 V CA -0.874 61.396 62.300 -0.049 0.000 1.024 197 V CB 1.358 33.162 31.823 -0.032 0.000 1.049 197 V HN 0.523 nan 8.190 nan 0.000 0.471 198 V N 1.748 121.624 119.914 -0.062 0.000 2.655 198 V HA 0.722 4.842 4.120 0.000 0.000 0.301 198 V C 0.283 176.395 176.094 0.030 0.000 1.082 198 V CA -0.206 62.043 62.300 -0.085 0.000 0.899 198 V CB 1.400 33.173 31.823 -0.083 0.000 1.014 198 V HN 1.365 nan 8.190 nan 0.000 0.429 199 A N 2.750 125.611 122.820 0.069 0.000 2.354 199 A HA 0.564 4.884 4.320 0.000 0.000 0.269 199 A C -0.021 177.690 177.584 0.213 0.000 1.109 199 A CA -0.207 51.900 52.037 0.116 0.000 0.800 199 A CB 0.368 19.423 19.000 0.091 0.000 1.045 199 A HN 0.931 nan 8.150 nan 0.000 0.489 200 D N 1.036 121.517 120.400 0.134 0.000 2.488 200 D HA 0.365 5.005 4.640 0.000 0.000 0.238 200 D C 1.359 177.708 176.300 0.082 0.000 1.138 200 D CA 2.018 56.082 54.000 0.106 0.000 0.873 200 D CB 0.283 41.116 40.800 0.054 0.000 1.183 200 D HN 1.237 nan 8.370 nan 0.000 0.458 201 G N 3.474 112.280 108.800 0.011 0.000 2.143 201 G HA2 -0.270 3.690 3.960 0.000 0.000 0.249 201 G HA3 -0.270 3.690 3.960 0.000 0.000 0.249 201 G C 1.062 175.951 174.900 -0.019 0.000 0.981 201 G CA 0.497 45.571 45.100 -0.044 0.000 0.665 201 G HN 0.699 nan 8.290 nan 0.000 0.528 202 W N 0.242 121.522 121.300 -0.033 0.000 2.374 202 W HA -0.093 4.567 4.660 -0.000 0.000 0.288 202 W C 1.512 177.988 176.519 -0.071 0.000 1.218 202 W CA 1.432 58.754 57.345 -0.037 0.000 1.245 202 W CB -0.708 28.732 29.460 -0.034 0.000 1.126 202 W HN 0.397 nan 8.180 nan 0.000 0.545 203 Q N 1.481 120.643 119.800 -1.063 0.000 2.050 203 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 203 Q C 2.330 178.115 176.000 -0.359 0.000 0.980 203 Q CA 2.649 57.753 55.803 -1.165 0.000 0.840 203 Q CB -0.617 27.417 28.738 -1.174 0.000 0.898 203 Q HN 0.332 nan 8.270 nan 0.000 0.424 204 K N 0.225 120.498 120.400 -0.213 0.000 2.063 204 K HA -0.171 4.149 4.320 0.000 0.000 0.208 204 K C 1.938 178.562 176.600 0.041 0.000 1.048 204 K CA 1.389 57.648 56.287 -0.047 0.000 0.928 204 K CB -0.226 32.249 32.500 -0.042 0.000 0.713 204 K HN 0.232 nan 8.250 nan 0.000 0.442 205 A N 0.509 123.368 122.820 0.065 0.000 2.015 205 A HA 0.006 4.326 4.320 0.000 0.000 0.219 205 A C 2.175 179.886 177.584 0.212 0.000 1.163 205 A CA 1.514 53.624 52.037 0.121 0.000 0.646 205 A CB -0.495 18.573 19.000 0.115 0.000 0.806 205 A HN 0.479 nan 8.150 nan 0.000 0.448 206 A N -0.190 122.804 122.820 0.291 0.000 2.016 206 A HA -0.062 4.258 4.320 0.000 0.000 0.217 206 A C 1.661 179.527 177.584 0.471 0.000 1.162 206 A CA 1.513 53.855 52.037 0.510 0.000 0.662 206 A CB -0.306 19.057 19.000 0.605 0.000 0.812 206 A HN 0.411 nan 8.150 nan 0.000 0.450 207 D N -0.276 120.308 120.400 0.307 0.000 2.149 207 D HA -0.112 4.528 4.640 0.000 0.000 0.201 207 D C 2.085 178.502 176.300 0.196 0.000 0.972 207 D CA 1.128 55.259 54.000 0.219 0.000 0.835 207 D CB -0.333 40.553 40.800 0.143 0.000 0.966 207 D HN 0.571 nan 8.370 nan 0.000 0.476 208 Q N 0.186 120.094 119.800 0.180 0.000 2.124 208 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 208 Q C 2.095 178.211 176.000 0.194 0.000 0.977 208 Q CA 1.268 57.160 55.803 0.148 0.000 0.850 208 Q CB -0.006 28.797 28.738 0.107 0.000 0.901 208 Q HN 0.202 nan 8.270 nan 0.000 0.429 209 A N 0.790 123.779 122.820 0.282 0.000 1.929 209 A HA -0.025 4.295 4.320 0.000 0.000 0.216 209 A C 2.270 180.150 177.584 0.493 0.000 1.176 209 A CA 1.234 53.485 52.037 0.356 0.000 0.628 209 A CB -0.629 18.601 19.000 0.384 0.000 0.816 209 A HN 0.383 nan 8.150 nan 0.000 0.444 210 A N 0.149 123.270 122.820 0.501 0.000 1.917 210 A HA 0.059 4.379 4.320 0.000 0.000 0.219 210 A C 2.467 180.213 177.584 0.270 0.000 1.182 210 A CA 2.281 54.435 52.037 0.195 0.000 0.633 210 A CB -0.971 18.005 19.000 -0.039 0.000 0.819 210 A HN 1.072 nan 8.150 nan 0.000 0.448 211 A N -0.622 122.327 122.820 0.215 0.000 1.968 211 A HA 0.086 4.406 4.320 0.000 0.000 0.217 211 A C 2.126 179.784 177.584 0.123 0.000 1.169 211 A CA 1.260 53.389 52.037 0.153 0.000 0.638 211 A CB -0.482 18.581 19.000 0.105 0.000 0.812 211 A HN 0.476 nan 8.150 nan 0.000 0.446 212 L N -1.042 120.270 121.223 0.150 0.000 2.093 212 L HA -0.138 4.202 4.340 0.000 0.000 0.208 212 L C 2.521 179.474 176.870 0.138 0.000 1.085 212 L CA 1.017 55.930 54.840 0.122 0.000 0.755 212 L CB -0.491 41.642 42.059 0.123 0.000 0.904 212 L HN 0.468 nan 8.230 nan 0.000 0.435 213 L N 0.260 121.619 121.223 0.227 0.000 2.056 213 L HA -0.095 4.245 4.340 0.000 0.000 0.207 213 L C 2.645 179.603 176.870 0.147 0.000 1.078 213 L CA 1.893 56.879 54.840 0.243 0.000 0.749 213 L CB -0.714 41.569 42.059 0.373 0.000 0.901 213 L HN 0.123 nan 8.230 nan 0.000 0.433 214 A N -0.210 122.668 122.820 0.097 0.000 1.873 214 A HA -0.252 4.068 4.320 0.000 0.000 0.218 214 A C 2.357 179.836 177.584 -0.175 0.000 1.193 214 A CA 2.549 54.423 52.037 -0.271 0.000 0.629 214 A CB -1.342 17.410 19.000 -0.413 0.000 0.826 214 A HN 0.548 nan 8.150 nan 0.000 0.447 215 E N -0.439 119.714 120.200 -0.080 0.000 2.204 215 E HA 0.354 4.704 4.350 0.000 0.000 0.194 215 E C 1.148 177.717 176.600 -0.052 0.000 0.989 215 E CA 0.947 57.309 56.400 -0.063 0.000 0.824 215 E CB -0.996 28.687 29.700 -0.029 0.000 0.756 215 E HN 1.159 nan 8.360 nan 0.000 0.477 216 A N -0.337 122.469 122.820 -0.024 0.000 2.425 216 A HA 0.554 4.874 4.320 0.000 0.000 0.249 216 A C 1.667 179.206 177.584 -0.075 0.000 1.084 216 A CA 0.593 52.616 52.037 -0.025 0.000 0.781 216 A CB 0.645 19.661 19.000 0.026 0.000 1.019 216 A HN 0.589 nan 8.150 nan 0.000 0.490 217 K N 0.946 121.258 120.400 -0.148 0.000 2.168 217 K HA 0.102 4.422 4.320 0.000 0.000 0.201 217 K C 0.503 176.833 176.600 -0.450 0.000 1.049 217 K CA 1.280 57.364 56.287 -0.340 0.000 0.974 217 K CB -0.112 32.109 32.500 -0.466 0.000 0.792 217 K HN 0.853 nan 8.250 nan 0.000 0.463 218 H N 0.508 119.592 119.070 0.023 0.000 2.569 218 H HA 0.324 4.880 4.556 -0.000 0.000 0.247 218 H C -2.908 172.421 175.328 0.001 0.000 1.346 218 H CA -2.795 53.267 56.048 0.023 0.000 1.502 218 H CB 1.127 30.874 29.762 -0.024 0.000 1.512 218 H HN 0.289 nan 8.280 nan 0.000 0.502 219 P HA 0.204 nan 4.420 nan 0.000 0.279 219 P C -0.084 177.255 177.300 0.066 0.000 1.252 219 P CA -0.563 62.587 63.100 0.084 0.000 0.811 219 P CB 2.296 34.059 31.700 0.104 0.000 1.035 220 V N -0.665 119.269 119.914 0.033 0.000 2.876 220 V HA 0.529 4.649 4.120 0.000 0.000 0.312 220 V C -0.522 175.569 176.094 -0.005 0.000 1.085 220 V CA -1.137 61.167 62.300 0.007 0.000 0.945 220 V CB 1.878 33.719 31.823 0.031 0.000 1.017 220 V HN 0.280 nan 8.190 nan 0.000 0.428 221 L N 3.609 124.825 121.223 -0.013 0.000 2.255 221 L HA 0.499 4.839 4.340 0.000 0.000 0.289 221 L C -0.492 176.379 176.870 0.001 0.000 1.046 221 L CA -0.610 54.225 54.840 -0.008 0.000 0.816 221 L CB 1.586 43.648 42.059 0.005 0.000 1.197 221 L HN 0.563 nan 8.230 nan 0.000 0.427 222 V N 5.282 125.193 119.914 -0.005 0.000 2.320 222 V HA 0.202 4.322 4.120 0.000 0.000 0.265 222 V C 0.307 176.435 176.094 0.058 0.000 1.048 222 V CA -0.444 61.885 62.300 0.049 0.000 0.865 222 V CB 1.455 33.307 31.823 0.048 0.000 1.043 222 V HN 0.391 nan 8.190 nan 0.000 0.474 223 V N 4.459 124.407 119.914 0.058 0.000 2.439 223 V HA 0.759 4.879 4.120 0.000 0.000 0.282 223 V C 0.866 176.993 176.094 0.056 0.000 1.039 223 V CA -0.119 62.207 62.300 0.043 0.000 0.913 223 V CB 1.529 33.363 31.823 0.017 0.000 0.983 223 V HN 0.843 nan 8.190 nan 0.000 0.460 224 G N 1.943 110.770 108.800 0.046 0.000 2.537 224 G HA2 0.560 4.520 3.960 0.000 0.000 0.323 224 G HA3 0.560 4.520 3.960 0.000 0.000 0.323 224 G C 0.903 175.820 174.900 0.029 0.000 1.207 224 G CA -0.049 45.070 45.100 0.031 0.000 0.976 224 G HN 0.929 nan 8.290 nan 0.000 0.487 225 A N 0.150 123.005 122.820 0.059 0.000 1.958 225 A HA -0.027 4.293 4.320 0.000 0.000 0.221 225 A C 2.719 180.366 177.584 0.104 0.000 1.178 225 A CA 2.979 55.096 52.037 0.134 0.000 0.642 225 A CB -0.895 18.239 19.000 0.223 0.000 0.816 225 A HN 1.538 nan 8.150 nan 0.000 0.453 226 A N -0.353 122.501 122.820 0.055 0.000 1.978 226 A HA 0.088 4.408 4.320 0.000 0.000 0.220 226 A C 2.472 180.070 177.584 0.024 0.000 1.170 226 A CA 2.194 54.254 52.037 0.037 0.000 0.636 226 A CB -0.982 18.024 19.000 0.009 0.000 0.810 226 A HN 1.241 nan 8.150 nan 0.000 0.448 227 A N -0.193 122.633 122.820 0.010 0.000 1.978 227 A HA -0.088 4.232 4.320 0.000 0.000 0.220 227 A C 2.076 179.652 177.584 -0.014 0.000 1.170 227 A CA 1.568 53.603 52.037 -0.003 0.000 0.636 227 A CB -0.551 18.445 19.000 -0.007 0.000 0.810 227 A HN 0.543 nan 8.150 nan 0.000 0.448 228 I N -1.232 119.320 120.570 -0.030 0.000 2.233 228 I HA -0.200 3.970 4.170 0.000 0.000 0.243 228 I C 2.659 178.791 176.117 0.025 0.000 1.093 228 I CA 1.008 62.264 61.300 -0.074 0.000 1.380 228 I CB -0.371 37.451 38.000 -0.296 0.000 1.067 228 I HN 0.230 nan 8.210 nan 0.000 0.413 229 R N 0.132 120.690 120.500 0.096 0.000 2.139 229 R HA -0.173 4.167 4.340 0.000 0.000 0.243 229 R C 2.408 178.738 176.300 0.049 0.000 1.145 229 R CA 1.596 57.754 56.100 0.098 0.000 0.976 229 R CB -0.464 29.889 30.300 0.088 0.000 0.866 229 R HN 0.237 nan 8.270 nan 0.000 0.449 230 S N -0.795 114.922 115.700 0.028 0.000 2.515 230 S HA 0.013 4.483 4.470 0.000 0.000 0.231 230 S C 1.073 175.681 174.600 0.013 0.000 0.987 230 S CA 0.874 59.081 58.200 0.012 0.000 0.936 230 S CB 0.068 63.268 63.200 0.000 0.000 0.766 230 S HN 0.658 nan 8.310 nan 0.000 0.528 231 G N 0.164 108.972 108.800 0.014 0.000 2.171 231 G HA2 -0.155 3.805 3.960 0.000 0.000 0.238 231 G HA3 -0.155 3.805 3.960 0.000 0.000 0.238 231 G C 0.342 175.245 174.900 0.005 0.000 1.039 231 G CA 0.159 45.265 45.100 0.010 0.000 0.759 231 G HN 0.891 nan 8.290 nan 0.000 0.501 232 A N -0.922 121.898 122.820 -0.000 0.000 2.465 232 A HA 0.700 5.020 4.320 0.000 0.000 0.255 232 A C 1.975 179.557 177.584 -0.004 0.000 1.274 232 A CA 1.217 53.259 52.037 0.007 0.000 0.920 232 A CB 0.304 19.317 19.000 0.020 0.000 1.033 232 A HN 0.851 nan 8.150 nan 0.000 0.516 233 V N 0.995 120.895 119.914 -0.023 0.000 2.255 233 V HA -0.103 4.017 4.120 0.000 0.000 0.243 233 V C -0.192 175.887 176.094 -0.025 0.000 1.038 233 V CA 2.418 64.695 62.300 -0.038 0.000 1.008 233 V CB -1.179 30.604 31.823 -0.068 0.000 0.645 233 V HN 0.345 nan 8.190 nan 0.000 0.449 234 P HA -0.201 nan 4.420 nan 0.000 0.217 234 P C 1.551 178.852 177.300 0.002 0.000 1.151 234 P CA 2.195 65.291 63.100 -0.006 0.000 0.849 234 P CB -0.144 31.557 31.700 0.001 0.000 0.787 235 A N -1.262 121.563 122.820 0.007 0.000 1.929 235 A HA -0.103 4.217 4.320 0.000 0.000 0.216 235 A C 2.200 179.798 177.584 0.022 0.000 1.176 235 A CA 1.073 53.120 52.037 0.016 0.000 0.628 235 A CB -1.410 17.603 19.000 0.022 0.000 0.816 235 A HN 0.110 nan 8.150 nan 0.000 0.444 236 I N -0.919 119.663 120.570 0.019 0.000 2.252 236 I HA -0.231 3.939 4.170 0.000 0.000 0.245 236 I C 2.664 178.785 176.117 0.006 0.000 1.102 236 I CA 1.517 62.831 61.300 0.024 0.000 1.385 236 I CB -0.255 37.754 38.000 0.014 0.000 1.064 236 I HN 0.355 nan 8.210 nan 0.000 0.414 237 R N 1.169 121.658 120.500 -0.017 0.000 2.091 237 R HA -0.217 4.123 4.340 0.000 0.000 0.238 237 R C 2.302 178.607 176.300 0.007 0.000 1.136 237 R CA 1.823 57.901 56.100 -0.037 0.000 0.959 237 R CB -0.269 30.002 30.300 -0.049 0.000 0.856 237 R HN 0.375 nan 8.270 nan 0.000 0.437 238 A N 0.671 123.503 122.820 0.019 0.000 1.969 238 A HA -0.113 4.207 4.320 0.000 0.000 0.218 238 A C 1.996 179.600 177.584 0.033 0.000 1.169 238 A CA 0.963 53.018 52.037 0.030 0.000 0.635 238 A CB -0.430 18.583 19.000 0.021 0.000 0.810 238 A HN 0.392 nan 8.150 nan 0.000 0.445 239 L N -0.394 120.852 121.223 0.037 0.000 2.056 239 L HA 0.002 4.342 4.340 0.000 0.000 0.207 239 L C 2.620 179.527 176.870 0.062 0.000 1.078 239 L CA 2.075 56.947 54.840 0.053 0.000 0.749 239 L CB -0.571 41.543 42.059 0.092 0.000 0.901 239 L HN 0.308 nan 8.230 nan 0.000 0.433 240 A N -0.969 121.883 122.820 0.053 0.000 1.929 240 A HA -0.163 4.157 4.320 0.000 0.000 0.216 240 A C 2.152 179.778 177.584 0.070 0.000 1.176 240 A CA 1.544 53.612 52.037 0.051 0.000 0.628 240 A CB -0.522 18.486 19.000 0.013 0.000 0.816 240 A HN 0.572 nan 8.150 nan 0.000 0.444 241 E N -0.661 119.590 120.200 0.084 0.000 2.028 241 E HA -0.196 4.154 4.350 0.000 0.000 0.191 241 E C 2.313 178.957 176.600 0.074 0.000 0.988 241 E CA 1.188 57.655 56.400 0.111 0.000 0.799 241 E CB -0.203 29.576 29.700 0.132 0.000 0.755 241 E HN 0.587 nan 8.360 nan 0.000 0.447 242 R N 0.854 121.388 120.500 0.056 0.000 2.096 242 R HA -0.146 4.194 4.340 0.000 0.000 0.240 242 R C 1.836 178.166 176.300 0.050 0.000 1.139 242 R CA 1.380 57.505 56.100 0.042 0.000 0.952 242 R CB -0.145 30.169 30.300 0.024 0.000 0.854 242 R HN 0.163 nan 8.270 nan 0.000 0.436 243 L N 0.622 121.881 121.223 0.060 0.000 2.628 243 L HA 0.134 4.474 4.340 0.000 0.000 0.229 243 L C 0.128 177.045 176.870 0.078 0.000 1.137 243 L CA -0.206 54.679 54.840 0.076 0.000 0.909 243 L CB -0.186 41.930 42.059 0.095 0.000 1.137 243 L HN 0.352 nan 8.230 nan 0.000 0.470 244 N N 1.528 120.270 118.700 0.070 0.000 2.727 244 N HA -0.214 4.526 4.740 0.000 0.000 0.251 244 N C -0.696 174.848 175.510 0.056 0.000 1.040 244 N CA 0.446 53.537 53.050 0.068 0.000 0.712 244 N CB -1.054 37.475 38.487 0.070 0.000 0.912 244 N HN 0.352 nan 8.380 nan 0.000 0.545 245 I N 0.487 121.081 120.570 0.040 0.000 2.354 245 I HA 0.414 4.584 4.170 0.000 0.000 0.292 245 I C -1.954 174.109 176.117 -0.090 0.000 0.989 245 I CA -2.168 59.136 61.300 0.008 0.000 1.188 245 I CB 1.689 39.721 38.000 0.053 0.000 1.342 245 I HN 0.018 nan 8.210 nan 0.000 0.457 246 P HA 0.138 nan 4.420 nan 0.000 0.275 246 P C -0.760 176.374 177.300 -0.276 0.000 1.228 246 P CA -0.245 62.536 63.100 -0.531 0.000 0.786 246 P CB 0.871 31.799 31.700 -1.287 0.000 0.927 247 V N 4.706 124.499 119.914 -0.202 0.000 2.357 247 V HA 0.363 4.483 4.120 0.000 0.000 0.284 247 V C 0.289 176.372 176.094 -0.018 0.000 1.018 247 V CA -0.314 61.940 62.300 -0.077 0.000 0.841 247 V CB 0.722 32.506 31.823 -0.064 0.000 0.991 247 V HN 0.398 nan 8.190 nan 0.000 0.437 248 I N 4.669 125.250 120.570 0.018 0.000 2.441 248 I HA 0.610 4.780 4.170 0.000 0.000 0.295 248 I C 0.458 176.634 176.117 0.098 0.000 0.994 248 I CA -0.255 61.092 61.300 0.078 0.000 1.144 248 I CB 2.441 40.502 38.000 0.102 0.000 1.314 248 I HN 0.698 nan 8.210 nan 0.000 0.445 249 T N 0.222 114.842 114.554 0.110 0.000 2.942 249 T HA 0.566 4.916 4.350 0.000 0.000 0.289 249 T C 0.106 174.895 174.700 0.149 0.000 1.044 249 T CA -0.749 61.418 62.100 0.111 0.000 1.023 249 T CB 1.680 70.601 68.868 0.089 0.000 1.123 249 T HN 0.647 nan 8.240 nan 0.000 0.512 250 T N -0.259 114.369 114.554 0.123 0.000 2.754 250 T HA 0.237 4.587 4.350 0.000 0.000 0.286 250 T C 0.911 175.743 174.700 0.219 0.000 0.997 250 T CA -0.531 61.627 62.100 0.095 0.000 0.982 250 T CB -0.039 68.821 68.868 -0.014 0.000 1.027 250 T HN 0.520 nan 8.240 nan 0.000 0.529 251 Y N 0.726 121.110 120.300 0.139 0.000 2.081 251 Y HA -0.085 4.465 4.550 -0.000 0.000 0.280 251 Y C 2.450 178.515 175.900 0.275 0.000 1.163 251 Y CA 1.155 59.377 58.100 0.203 0.000 1.135 251 Y CB -1.339 37.234 38.460 0.188 0.000 0.970 251 Y HN 0.705 nan 8.280 nan 0.000 0.498 252 I N -2.816 117.964 120.570 0.350 0.000 3.603 252 I HA 0.343 4.513 4.170 0.000 0.000 0.297 252 I C 1.854 178.137 176.117 0.277 0.000 1.269 252 I CA 0.931 62.432 61.300 0.335 0.000 1.361 252 I CB -0.407 37.772 38.000 0.298 0.000 1.063 252 I HN 0.003 nan 8.210 nan 0.000 0.448 253 A N 1.181 124.107 122.820 0.178 0.000 2.252 253 A HA 0.144 4.464 4.320 0.000 0.000 0.207 253 A C 0.918 178.537 177.584 0.059 0.000 1.194 253 A CA -0.090 51.985 52.037 0.063 0.000 0.809 253 A CB -0.577 18.451 19.000 0.045 0.000 0.814 253 A HN 0.394 nan 8.150 nan 0.000 0.482 254 K N -0.701 119.780 120.400 0.136 0.000 2.436 254 K HA 0.328 4.648 4.320 0.000 0.000 0.275 254 K C 1.189 177.828 176.600 0.065 0.000 0.999 254 K CA 0.903 57.257 56.287 0.110 0.000 0.980 254 K CB 0.191 32.788 32.500 0.162 0.000 0.919 254 K HN 0.561 nan 8.250 nan 0.000 0.484 255 G N 0.659 109.477 108.800 0.029 0.000 2.175 255 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 255 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 255 G C 0.714 175.588 174.900 -0.042 0.000 0.982 255 G CA 0.253 45.356 45.100 0.004 0.000 0.641 255 G HN 0.525 nan 8.290 nan 0.000 0.527 256 V N -1.719 118.159 119.914 -0.060 0.000 2.626 256 V HA 0.370 4.490 4.120 0.000 0.000 0.252 256 V C 1.348 177.389 176.094 -0.089 0.000 1.067 256 V CA 1.468 63.717 62.300 -0.084 0.000 1.081 256 V CB -0.306 31.469 31.823 -0.080 0.000 0.686 256 V HN 0.434 nan 8.190 nan 0.000 0.468 257 L N 0.866 122.035 121.223 -0.090 0.000 2.334 257 L HA 0.567 4.907 4.340 0.000 0.000 0.276 257 L C -2.367 174.479 176.870 -0.041 0.000 1.014 257 L CA -2.154 52.605 54.840 -0.135 0.000 0.815 257 L CB 2.013 43.939 42.059 -0.222 0.000 1.268 257 L HN 0.030 nan 8.230 nan 0.000 0.428 258 P HA 0.028 nan 4.420 nan 0.000 0.271 258 P C -0.672 176.672 177.300 0.073 0.000 1.244 258 P CA -0.402 62.728 63.100 0.050 0.000 0.793 258 P CB 0.400 32.147 31.700 0.079 0.000 0.984 259 V N 0.684 120.634 119.914 0.060 0.000 2.740 259 V HA 0.318 4.438 4.120 0.000 0.000 0.303 259 V C 1.738 177.875 176.094 0.071 0.000 1.054 259 V CA 1.403 63.739 62.300 0.059 0.000 1.106 259 V CB -0.415 31.435 31.823 0.045 0.000 0.957 259 V HN 1.031 nan 8.190 nan 0.000 0.486 260 G N 1.982 110.824 108.800 0.069 0.000 2.253 260 G HA2 -0.276 3.684 3.960 0.000 0.000 0.251 260 G HA3 -0.276 3.684 3.960 0.000 0.000 0.251 260 G C 0.452 175.405 174.900 0.088 0.000 0.998 260 G CA 0.405 45.541 45.100 0.060 0.000 0.621 260 G HN 1.018 nan 8.290 nan 0.000 0.524 261 H N 2.306 121.392 119.070 0.027 0.000 2.972 261 H HA 0.137 4.693 4.556 -0.000 0.000 0.343 261 H C 1.818 177.176 175.328 0.050 0.000 1.054 261 H CA 1.311 57.380 56.048 0.034 0.000 1.412 261 H CB 0.514 30.297 29.762 0.034 0.000 1.385 261 H HN 0.634 nan 8.280 nan 0.000 0.600 262 E N 4.194 124.393 120.200 -0.003 0.000 2.204 262 E HA -0.114 4.236 4.350 0.000 0.000 0.194 262 E C 1.763 178.547 176.600 0.307 0.000 0.989 262 E CA 0.729 57.187 56.400 0.097 0.000 0.824 262 E CB 0.270 29.961 29.700 -0.015 0.000 0.756 262 E HN 0.592 nan 8.360 nan 0.000 0.477 263 L N 1.046 122.576 121.223 0.512 0.000 2.567 263 L HA 0.069 4.409 4.340 0.000 0.000 0.225 263 L C 1.114 178.133 176.870 0.248 0.000 1.119 263 L CA -0.275 54.753 54.840 0.314 0.000 0.871 263 L CB -0.140 42.040 42.059 0.201 0.000 1.036 263 L HN 0.055 nan 8.230 nan 0.000 0.459 264 N N 0.427 119.289 118.700 0.270 0.000 2.543 264 N HA -0.130 4.610 4.740 0.000 0.000 0.289 264 N C 0.387 176.050 175.510 0.256 0.000 1.223 264 N CA 0.235 53.390 53.050 0.175 0.000 1.080 264 N CB 0.119 38.679 38.487 0.123 0.000 1.450 264 N HN 0.098 nan 8.380 nan 0.000 0.501 265 Y N 1.449 121.732 120.300 -0.027 0.000 2.529 265 Y HA 0.199 4.749 4.550 -0.000 0.000 0.290 265 Y C 1.797 177.660 175.900 -0.062 0.000 1.177 265 Y CA 0.322 58.385 58.100 -0.062 0.000 1.305 265 Y CB -0.445 37.958 38.460 -0.095 0.000 1.047 265 Y HN 0.590 nan 8.280 nan 0.000 0.522 266 G N -0.337 108.520 108.800 0.094 0.000 2.655 266 G HA2 0.155 4.115 3.960 0.000 0.000 0.680 266 G HA3 0.155 4.115 3.960 0.000 0.000 0.680 266 G C -0.574 174.355 174.900 0.049 0.000 1.302 266 G CA -0.759 44.357 45.100 0.027 0.000 0.872 266 G HN 0.501 nan 8.290 nan 0.000 0.540 267 A N -1.164 121.673 122.820 0.028 0.000 2.264 267 A HA 0.886 5.206 4.320 0.000 0.000 0.304 267 A C 0.207 177.854 177.584 0.105 0.000 1.100 267 A CA 0.062 52.152 52.037 0.088 0.000 0.839 267 A CB 1.592 20.650 19.000 0.097 0.000 1.121 267 A HN 1.910 nan 8.150 nan 0.000 0.496 268 V N 0.194 120.230 119.914 0.204 0.000 2.628 268 V HA 0.760 4.880 4.120 0.000 0.000 0.306 268 V C 0.160 176.450 176.094 0.327 0.000 1.045 268 V CA -0.051 62.393 62.300 0.240 0.000 0.905 268 V CB 1.837 33.851 31.823 0.318 0.000 0.997 268 V HN 1.117 nan 8.190 nan 0.000 0.436 269 T N 1.833 116.548 114.554 0.268 0.000 2.956 269 T HA 0.485 4.835 4.350 0.000 0.000 0.312 269 T C 1.016 175.835 174.700 0.198 0.000 1.151 269 T CA 0.265 62.579 62.100 0.356 0.000 1.024 269 T CB 1.697 70.780 68.868 0.359 0.000 1.140 269 T HN 0.860 nan 8.240 nan 0.000 0.473 270 G N 1.339 110.226 108.800 0.145 0.000 2.535 270 G HA2 -0.077 3.883 3.960 0.000 0.000 0.218 270 G HA3 -0.077 3.883 3.960 0.000 0.000 0.218 270 G C 0.637 175.460 174.900 -0.128 0.000 1.122 270 G CA 0.618 45.696 45.100 -0.036 0.000 0.769 270 G HN 0.803 nan 8.290 nan 0.000 0.549 271 Y N 0.532 120.803 120.300 -0.048 0.000 2.511 271 Y HA 0.130 4.680 4.550 0.000 0.000 0.279 271 Y C 2.850 178.737 175.900 -0.022 0.000 1.157 271 Y CA 0.579 58.701 58.100 0.036 0.000 1.300 271 Y CB -0.141 38.245 38.460 -0.122 0.000 1.052 271 Y HN 0.262 nan 8.280 nan 0.000 0.529 272 M N -1.123 118.503 119.600 0.043 0.000 2.159 272 M HA -0.144 4.336 4.480 0.000 0.000 0.263 272 M C 0.922 177.159 176.300 -0.106 0.000 1.063 272 M CA 1.931 57.185 55.300 -0.076 0.000 1.110 272 M CB -0.409 32.150 32.600 -0.068 0.000 1.374 272 M HN -0.022 nan 8.290 nan 0.000 0.411 273 D N 1.522 121.873 120.400 -0.081 0.000 2.092 273 D HA -0.081 4.559 4.640 0.000 0.000 0.193 273 D C 2.302 178.467 176.300 -0.226 0.000 0.994 273 D CA 2.089 56.031 54.000 -0.098 0.000 0.828 273 D CB -0.764 39.977 40.800 -0.099 0.000 0.963 273 D HN 0.605 nan 8.370 nan 0.000 0.450 274 G N 0.047 108.542 108.800 -0.509 0.000 2.443 274 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 274 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 274 G C 1.748 176.392 174.900 -0.427 0.000 1.131 274 G CA 0.204 44.678 45.100 -1.044 0.000 0.775 274 G HN 0.254 nan 8.290 nan 0.000 0.547 275 I N -0.103 120.393 120.570 -0.124 0.000 2.339 275 I HA 0.056 4.226 4.170 0.000 0.000 0.245 275 I C 2.392 178.422 176.117 -0.145 0.000 1.096 275 I CA 0.500 61.800 61.300 -0.000 0.000 1.408 275 I CB -0.018 37.797 38.000 -0.308 0.000 1.092 275 I HN 0.071 nan 8.210 nan 0.000 0.423 276 L N 0.271 121.327 121.223 -0.280 0.000 2.478 276 L HA -0.028 4.312 4.340 0.000 0.000 0.223 276 L C 0.397 177.306 176.870 0.064 0.000 1.140 276 L CA 0.159 54.791 54.840 -0.346 0.000 0.842 276 L CB -0.519 41.335 42.059 -0.341 0.000 0.953 276 L HN 0.390 nan 8.230 nan 0.000 0.452 277 N N 0.392 119.138 118.700 0.077 0.000 2.641 277 N HA -0.285 4.455 4.740 0.000 0.000 0.267 277 N C -0.915 174.731 175.510 0.227 0.000 1.087 277 N CA 0.591 53.719 53.050 0.129 0.000 0.731 277 N CB -0.966 37.642 38.487 0.202 0.000 0.886 277 N HN 0.265 nan 8.380 nan 0.000 0.547 278 F N 0.484 120.409 119.950 -0.041 0.000 2.740 278 F HA 0.339 4.866 4.527 0.000 0.000 0.312 278 F C -2.404 173.370 175.800 -0.044 0.000 1.121 278 F CA -1.236 56.748 58.000 -0.027 0.000 0.977 278 F CB 1.396 40.381 39.000 -0.025 0.000 1.265 278 F HN 0.012 nan 8.300 nan 0.000 0.443 279 P HA 0.256 nan 4.420 nan 0.000 0.231 279 P C -0.321 177.042 177.300 0.105 0.000 1.811 279 P CA 0.325 63.328 63.100 -0.162 0.000 1.051 279 P CB 0.616 32.141 31.700 -0.291 0.000 1.951 280 A N 2.931 125.925 122.820 0.290 0.000 1.898 280 A HA -0.049 4.271 4.320 0.000 0.000 0.214 280 A C 2.080 179.769 177.584 0.176 0.000 1.183 280 A CA 0.850 53.058 52.037 0.285 0.000 0.622 280 A CB -0.988 18.101 19.000 0.149 0.000 0.824 280 A HN 0.342 nan 8.150 nan 0.000 0.444 281 L N -0.607 120.717 121.223 0.168 0.000 2.017 281 L HA -0.225 4.115 4.340 0.000 0.000 0.208 281 L C 2.935 179.960 176.870 0.258 0.000 1.073 281 L CA 1.229 56.225 54.840 0.259 0.000 0.745 281 L CB -0.570 41.620 42.059 0.217 0.000 0.894 281 L HN 0.397 nan 8.230 nan 0.000 0.432 282 Q N -0.339 119.553 119.800 0.152 0.000 2.061 282 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 282 Q C 2.238 178.317 176.000 0.132 0.000 0.984 282 Q CA 2.285 58.162 55.803 0.123 0.000 0.846 282 Q CB -0.669 28.094 28.738 0.042 0.000 0.902 282 Q HN 0.508 nan 8.270 nan 0.000 0.421 283 T N 1.296 115.924 114.554 0.123 0.000 2.746 283 T HA -0.170 4.180 4.350 0.000 0.000 0.267 283 T C 1.833 176.611 174.700 0.129 0.000 1.039 283 T CA 1.575 63.753 62.100 0.129 0.000 1.142 283 T CB -0.190 68.792 68.868 0.191 0.000 0.866 283 T HN 0.162 nan 8.240 nan 0.000 0.444 284 M N -0.183 119.460 119.600 0.072 0.000 2.175 284 M HA 0.094 4.574 4.480 0.000 0.000 0.264 284 M C 0.774 176.977 176.300 -0.162 0.000 1.063 284 M CA 1.694 56.938 55.300 -0.093 0.000 1.119 284 M CB -0.042 32.353 32.600 -0.341 0.000 1.377 284 M HN 0.195 nan 8.290 nan 0.000 0.415 285 F N -1.841 118.211 119.950 0.171 0.000 2.767 285 F HA 0.458 4.985 4.527 -0.000 0.000 0.323 285 F C 1.902 177.717 175.800 0.025 0.000 1.091 285 F CA 0.135 58.190 58.000 0.092 0.000 1.192 285 F CB -0.746 38.342 39.000 0.148 0.000 1.056 285 F HN 0.084 nan 8.300 nan 0.000 0.571 286 A N 1.524 124.450 122.820 0.178 0.000 1.877 286 A HA -0.065 4.255 4.320 0.000 0.000 0.216 286 A C -0.369 177.253 177.584 0.063 0.000 1.186 286 A CA 1.731 53.837 52.037 0.116 0.000 0.620 286 A CB -1.877 17.175 19.000 0.088 0.000 0.822 286 A HN 0.167 nan 8.150 nan 0.000 0.443 287 P HA 0.134 nan 4.420 nan 0.000 0.245 287 P C 0.067 177.359 177.300 -0.012 0.000 1.206 287 P CA 0.272 63.371 63.100 -0.002 0.000 0.781 287 P CB -0.084 31.584 31.700 -0.053 0.000 0.994 288 V N 3.481 123.334 119.914 -0.102 0.000 2.585 288 V HA -0.012 4.108 4.120 0.000 0.000 0.296 288 V C 1.417 177.536 176.094 0.043 0.000 1.035 288 V CA 0.992 63.258 62.300 -0.056 0.000 1.084 288 V CB 0.501 32.307 31.823 -0.029 0.000 0.953 288 V HN 0.199 nan 8.190 nan 0.000 0.483 289 D N 2.961 123.391 120.400 0.049 0.000 2.469 289 D HA 0.213 4.853 4.640 0.000 0.000 0.213 289 D C -0.214 176.100 176.300 0.023 0.000 1.135 289 D CA -0.112 53.911 54.000 0.038 0.000 0.834 289 D CB 0.691 41.508 40.800 0.029 0.000 1.009 289 D HN 0.312 nan 8.370 nan 0.000 0.507 290 L N 0.811 122.042 121.223 0.014 0.000 2.562 290 L HA 0.441 4.781 4.340 0.000 0.000 0.266 290 L C -1.900 174.940 176.870 -0.051 0.000 0.949 290 L CA -0.761 54.076 54.840 -0.005 0.000 0.879 290 L CB 2.291 44.372 42.059 0.036 0.000 1.278 290 L HN -0.181 nan 8.230 nan 0.000 0.404 291 V N 6.279 126.100 119.914 -0.155 0.000 2.357 291 V HA 0.490 4.610 4.120 0.000 0.000 0.284 291 V C -0.391 175.544 176.094 -0.266 0.000 1.018 291 V CA -0.397 61.726 62.300 -0.294 0.000 0.841 291 V CB 1.567 32.959 31.823 -0.719 0.000 0.991 291 V HN 0.567 nan 8.190 nan 0.000 0.437 292 L N 5.057 126.170 121.223 -0.183 0.000 2.277 292 L HA 0.427 4.767 4.340 0.000 0.000 0.284 292 L C 0.683 177.447 176.870 -0.177 0.000 1.028 292 L CA -0.168 54.576 54.840 -0.160 0.000 0.835 292 L CB 1.651 43.655 42.059 -0.092 0.000 1.215 292 L HN 0.769 nan 8.230 nan 0.000 0.425 293 T N 0.352 114.787 114.554 -0.198 0.000 2.863 293 T HA 0.405 4.755 4.350 0.000 0.000 0.299 293 T C 0.047 174.726 174.700 -0.035 0.000 0.973 293 T CA -0.692 61.350 62.100 -0.098 0.000 0.994 293 T CB 0.147 68.934 68.868 -0.133 0.000 0.961 293 T HN 0.130 nan 8.240 nan 0.000 0.552 294 V N 3.529 123.420 119.914 -0.038 0.000 2.427 294 V HA 0.558 4.678 4.120 0.000 0.000 0.268 294 V C 1.426 177.517 176.094 -0.005 0.000 1.046 294 V CA 0.098 62.355 62.300 -0.071 0.000 0.970 294 V CB -0.036 31.764 31.823 -0.039 0.000 1.001 294 V HN 1.285 nan 8.190 nan 0.000 0.476 295 G N 3.902 112.687 108.800 -0.025 0.000 2.333 295 G HA2 -0.308 3.652 3.960 0.000 0.000 0.296 295 G HA3 -0.308 3.652 3.960 0.000 0.000 0.296 295 G C -0.355 174.589 174.900 0.073 0.000 1.059 295 G CA 0.077 45.182 45.100 0.009 0.000 1.050 295 G HN 0.920 nan 8.290 nan 0.000 0.508 296 Y N 0.723 121.024 120.300 0.001 0.000 2.336 296 Y HA 0.527 5.077 4.550 0.000 0.000 0.331 296 Y C 0.139 176.088 175.900 0.081 0.000 1.211 296 Y CA -0.262 57.879 58.100 0.067 0.000 1.346 296 Y CB 1.519 40.069 38.460 0.150 0.000 1.271 296 Y HN 0.252 nan 8.280 nan 0.000 0.538 297 D N 4.448 124.398 120.400 -0.750 0.000 2.365 297 D HA 0.013 4.653 4.640 0.000 0.000 0.235 297 D C -0.083 175.853 176.300 -0.606 0.000 1.368 297 D CA -0.474 53.250 54.000 -0.460 0.000 1.001 297 D CB 0.122 40.795 40.800 -0.212 0.000 1.364 297 D HN 0.581 nan 8.370 nan 0.000 0.577 298 Y N 3.516 123.491 120.300 -0.541 0.000 2.219 298 Y HA -0.258 4.292 4.550 -0.000 0.000 0.283 298 Y C 1.953 177.735 175.900 -0.198 0.000 1.191 298 Y CA 2.286 60.230 58.100 -0.260 0.000 1.199 298 Y CB -0.315 38.141 38.460 -0.007 0.000 0.972 298 Y HN 0.540 nan 8.280 nan 0.000 0.527 299 A N -0.193 122.534 122.820 -0.155 0.000 2.019 299 A HA -0.197 4.123 4.320 0.000 0.000 0.219 299 A C 2.055 179.500 177.584 -0.233 0.000 1.164 299 A CA 1.655 53.575 52.037 -0.194 0.000 0.644 299 A CB -0.629 18.304 19.000 -0.113 0.000 0.805 299 A HN 0.616 nan 8.150 nan 0.000 0.449 300 E N -1.375 118.671 120.200 -0.257 0.000 2.472 300 E HA -0.100 4.250 4.350 0.000 0.000 0.200 300 E C 0.128 176.486 176.600 -0.404 0.000 1.046 300 E CA 0.451 56.668 56.400 -0.306 0.000 0.871 300 E CB -0.054 29.484 29.700 -0.270 0.000 0.806 300 E HN 0.514 nan 8.360 nan 0.000 0.533 301 D N -0.631 119.579 120.400 -0.316 0.000 3.090 301 D HA -0.170 4.470 4.640 0.000 0.000 0.215 301 D C -0.892 175.326 176.300 -0.138 0.000 1.140 301 D CA 0.276 54.125 54.000 -0.251 0.000 0.937 301 D CB -0.857 39.847 40.800 -0.160 0.000 1.108 301 D HN 0.073 nan 8.370 nan 0.000 0.420 302 L N 1.758 122.928 121.223 -0.089 0.000 2.334 302 L HA 0.358 4.698 4.340 0.000 0.000 0.286 302 L C 0.326 177.301 176.870 0.176 0.000 1.108 302 L CA 0.250 55.142 54.840 0.087 0.000 0.875 302 L CB -0.049 42.118 42.059 0.179 0.000 1.246 302 L HN -0.007 nan 8.230 nan 0.000 0.439 303 R N 5.269 125.777 120.500 0.013 0.000 2.573 303 R HA 0.380 4.720 4.340 0.000 0.000 0.272 303 R C -1.661 174.241 176.300 -0.662 0.000 1.009 303 R CA -1.717 54.342 56.100 -0.069 0.000 1.059 303 R CB 0.182 30.468 30.300 -0.023 0.000 1.112 303 R HN 0.302 nan 8.270 nan 0.000 0.517 304 P HA -0.242 nan 4.420 nan 0.000 0.216 304 P C 1.273 177.724 177.300 -1.416 0.000 1.150 304 P CA 1.708 63.641 63.100 -1.946 0.000 0.843 304 P CB 0.130 31.216 31.700 -1.022 0.000 0.787 305 S N -1.852 113.422 115.700 -0.711 0.000 2.442 305 S HA -0.150 4.320 4.470 0.000 0.000 0.236 305 S C 1.801 176.141 174.600 -0.434 0.000 1.007 305 S CA 1.170 59.095 58.200 -0.458 0.000 0.965 305 S CB -1.255 61.789 63.200 -0.260 0.000 0.773 305 S HN 0.100 nan 8.310 nan 0.000 0.504 306 M N -0.023 119.281 119.600 -0.494 0.000 2.419 306 M HA 0.154 4.634 4.480 0.000 0.000 0.264 306 M C 1.576 177.653 176.300 -0.372 0.000 1.082 306 M CA 0.986 56.110 55.300 -0.293 0.000 1.119 306 M CB -0.208 32.306 32.600 -0.144 0.000 1.398 306 M HN 0.791 nan 8.290 nan 0.000 0.453 307 W N -0.722 120.240 121.300 -0.563 0.000 3.177 307 W HA 0.277 4.937 4.660 -0.000 0.000 0.309 307 W C 0.072 176.338 176.519 -0.423 0.000 1.224 307 W CA -0.399 56.356 57.345 -0.983 0.000 1.718 307 W CB -0.724 27.959 29.460 -1.294 0.000 1.078 307 W HN -0.039 nan 8.180 nan 0.000 0.618 308 Q N 2.568 122.204 119.800 -0.274 0.000 3.159 308 Q HA 0.118 4.458 4.340 0.000 0.000 0.280 308 Q C -0.429 175.553 176.000 -0.030 0.000 1.403 308 Q CA 0.502 56.245 55.803 -0.100 0.000 0.957 308 Q CB -0.135 28.486 28.738 -0.194 0.000 1.729 308 Q HN -0.078 nan 8.270 nan 0.000 0.551 309 K N 0.565 120.994 120.400 0.049 0.000 2.471 309 K HA 0.602 4.922 4.320 0.000 0.000 0.252 309 K C 0.284 176.941 176.600 0.095 0.000 0.938 309 K CA -0.099 56.232 56.287 0.073 0.000 0.796 309 K CB 1.985 34.562 32.500 0.128 0.000 1.161 309 K HN 0.456 nan 8.250 nan 0.000 0.425 310 G N 2.689 111.526 108.800 0.063 0.000 2.498 310 G HA2 -0.283 3.677 3.960 0.000 0.000 0.251 310 G HA3 -0.283 3.677 3.960 0.000 0.000 0.251 310 G C 0.095 175.029 174.900 0.056 0.000 1.170 310 G CA -0.144 44.992 45.100 0.060 0.000 0.944 310 G HN 0.745 nan 8.290 nan 0.000 0.567 311 I N -0.431 120.176 120.570 0.061 0.000 2.938 311 I HA 0.500 4.670 4.170 0.000 0.000 0.285 311 I C 0.575 176.728 176.117 0.060 0.000 1.182 311 I CA -0.559 60.773 61.300 0.053 0.000 1.388 311 I CB 0.389 38.421 38.000 0.052 0.000 1.390 311 I HN 0.474 nan 8.210 nan 0.000 0.600 312 E N 3.491 123.721 120.200 0.049 0.000 2.502 312 E HA 0.046 4.396 4.350 0.000 0.000 0.261 312 E C -0.756 175.880 176.600 0.059 0.000 0.974 312 E CA 0.530 56.961 56.400 0.052 0.000 0.936 312 E CB 0.577 30.300 29.700 0.039 0.000 0.926 312 E HN 0.459 nan 8.360 nan 0.000 0.459 313 K N 2.382 122.827 120.400 0.075 0.000 2.259 313 K HA 0.295 4.615 4.320 0.000 0.000 0.252 313 K C -0.198 176.435 176.600 0.055 0.000 0.936 313 K CA -0.855 55.469 56.287 0.062 0.000 0.810 313 K CB 1.337 33.879 32.500 0.071 0.000 1.143 313 K HN 0.030 nan 8.250 nan 0.000 0.427 314 K N 1.205 121.624 120.400 0.032 0.000 2.118 314 K HA 0.367 4.687 4.320 0.000 0.000 0.264 314 K C -0.152 176.448 176.600 -0.001 0.000 1.000 314 K CA -0.366 55.938 56.287 0.029 0.000 0.929 314 K CB 1.377 33.894 32.500 0.029 0.000 1.021 314 K HN 0.865 nan 8.250 nan 0.000 0.463 315 T N -2.546 112.015 114.554 0.011 0.000 2.900 315 T HA 0.623 4.973 4.350 0.000 0.000 0.295 315 T C -0.567 174.113 174.700 -0.034 0.000 1.044 315 T CA -0.874 61.212 62.100 -0.023 0.000 0.995 315 T CB 1.356 70.303 68.868 0.132 0.000 1.072 315 T HN 0.077 nan 8.240 nan 0.000 0.473 316 V N 2.306 122.173 119.914 -0.079 0.000 2.483 316 V HA 0.582 4.702 4.120 0.000 0.000 0.297 316 V C 0.042 176.041 176.094 -0.158 0.000 1.027 316 V CA -0.979 61.255 62.300 -0.111 0.000 0.855 316 V CB 1.645 33.407 31.823 -0.101 0.000 0.995 316 V HN 0.994 nan 8.190 nan 0.000 0.424 317 R N 4.354 124.737 120.500 -0.196 0.000 2.265 317 R HA 0.728 5.068 4.340 0.000 0.000 0.319 317 R C -1.477 174.669 176.300 -0.256 0.000 1.006 317 R CA -0.465 55.523 56.100 -0.185 0.000 0.880 317 R CB 0.937 31.058 30.300 -0.298 0.000 1.077 317 R HN 0.643 nan 8.270 nan 0.000 0.454 318 I N 2.764 123.168 120.570 -0.277 0.000 2.436 318 I HA 0.361 4.531 4.170 0.000 0.000 0.289 318 I C -0.561 175.445 176.117 -0.185 0.000 1.010 318 I CA -0.110 60.962 61.300 -0.379 0.000 1.098 318 I CB 2.083 39.638 38.000 -0.742 0.000 1.266 318 I HN 0.587 nan 8.210 nan 0.000 0.434 319 S N 6.552 122.160 115.700 -0.153 0.000 2.542 319 S HA 0.546 5.016 4.470 0.000 0.000 0.276 319 S C -2.682 171.857 174.600 -0.102 0.000 1.148 319 S CA -0.978 57.174 58.200 -0.081 0.000 0.886 319 S CB 2.065 65.263 63.200 -0.003 0.000 1.109 319 S HN 0.377 nan 8.310 nan 0.000 0.458 320 P HA 0.188 nan 4.420 nan 0.000 0.259 320 P C 0.013 177.278 177.300 -0.060 0.000 1.480 320 P CA 0.166 63.211 63.100 -0.093 0.000 0.842 320 P CB -0.873 30.780 31.700 -0.078 0.000 1.513 321 T N -4.074 110.453 114.554 -0.045 0.000 2.896 321 T HA 0.430 4.780 4.350 0.000 0.000 0.297 321 T C -0.257 174.429 174.700 -0.024 0.000 1.108 321 T CA -0.796 61.288 62.100 -0.025 0.000 1.004 321 T CB 1.333 70.197 68.868 -0.006 0.000 1.159 321 T HN -0.242 nan 8.240 nan 0.000 0.499 322 V N 2.648 122.551 119.914 -0.017 0.000 2.715 322 V HA 0.234 4.354 4.120 0.000 0.000 0.299 322 V C 0.952 177.040 176.094 -0.010 0.000 1.054 322 V CA -0.660 61.629 62.300 -0.018 0.000 1.077 322 V CB 0.603 32.418 31.823 -0.013 0.000 0.972 322 V HN 0.986 nan 8.190 nan 0.000 0.484 323 N N 6.446 125.132 118.700 -0.023 0.000 2.429 323 N HA 0.087 4.827 4.740 0.000 0.000 0.271 323 N C -1.128 174.378 175.510 -0.006 0.000 1.272 323 N CA -1.427 51.612 53.050 -0.017 0.000 0.921 323 N CB 1.018 39.462 38.487 -0.070 0.000 1.128 323 N HN 0.412 nan 8.380 nan 0.000 0.481 324 P HA 0.064 nan 4.420 nan 0.000 0.240 324 P C 0.238 177.540 177.300 0.003 0.000 1.190 324 P CA 0.666 63.776 63.100 0.017 0.000 0.781 324 P CB 0.023 31.746 31.700 0.039 0.000 0.931 325 I N -3.770 116.790 120.570 -0.016 0.000 2.953 325 I HA 0.400 4.570 4.170 0.000 0.000 0.325 325 I C -1.975 174.098 176.117 -0.073 0.000 1.421 325 I CA -2.410 58.847 61.300 -0.072 0.000 0.845 325 I CB 1.265 39.141 38.000 -0.206 0.000 2.186 325 I HN -0.335 nan 8.210 nan 0.000 0.604 326 P HA -0.179 nan 4.420 nan 0.000 0.225 326 P C 1.473 178.745 177.300 -0.047 0.000 1.148 326 P CA 1.080 64.148 63.100 -0.054 0.000 0.779 326 P CB 0.129 31.800 31.700 -0.048 0.000 0.780 327 R N 0.165 120.634 120.500 -0.051 0.000 2.152 327 R HA -0.046 4.294 4.340 0.000 0.000 0.232 327 R C 1.585 177.849 176.300 -0.060 0.000 1.117 327 R CA 1.219 57.291 56.100 -0.047 0.000 0.981 327 R CB -0.166 30.109 30.300 -0.042 0.000 0.870 327 R HN 0.056 nan 8.270 nan 0.000 0.451 328 V N -1.117 118.740 119.914 -0.096 0.000 3.307 328 V HA 0.094 4.214 4.120 0.000 0.000 0.244 328 V C -0.500 175.560 176.094 -0.056 0.000 1.196 328 V CA 0.180 62.399 62.300 -0.134 0.000 1.132 328 V CB 0.462 32.091 31.823 -0.323 0.000 0.875 328 V HN 0.194 nan 8.190 nan 0.000 0.468 329 Y N 1.977 122.169 120.300 -0.180 0.000 2.349 329 Y HA 0.547 5.097 4.550 -0.000 0.000 0.324 329 Y C -0.228 175.623 175.900 -0.082 0.000 1.005 329 Y CA -1.860 56.164 58.100 -0.126 0.000 1.240 329 Y CB 0.953 39.331 38.460 -0.138 0.000 1.117 329 Y HN -0.012 nan 8.280 nan 0.000 0.463 330 R N 7.369 127.912 120.500 0.071 0.000 2.790 330 R HA 0.300 4.640 4.340 0.000 0.000 0.274 330 R C -2.593 173.626 176.300 -0.134 0.000 1.334 330 R CA -1.639 54.409 56.100 -0.086 0.000 1.543 330 R CB 0.651 30.937 30.300 -0.023 0.000 1.154 330 R HN 0.482 nan 8.270 nan 0.000 0.601 331 P HA -0.012 nan 4.420 nan 0.000 0.268 331 P C 0.145 177.367 177.300 -0.130 0.000 1.208 331 P CA -0.065 62.842 63.100 -0.322 0.000 0.777 331 P CB 1.165 32.518 31.700 -0.577 0.000 0.875 332 D N -0.328 120.041 120.400 -0.052 0.000 2.183 332 D HA 0.006 4.646 4.640 0.000 0.000 0.203 332 D C 0.262 176.543 176.300 -0.032 0.000 0.969 332 D CA 1.294 55.281 54.000 -0.023 0.000 0.842 332 D CB 0.386 41.191 40.800 0.008 0.000 0.957 332 D HN 0.095 nan 8.370 nan 0.000 0.484 333 V N 1.246 121.130 119.914 -0.051 0.000 2.577 333 V HA 0.187 4.307 4.120 0.000 0.000 0.303 333 V C -0.837 175.197 176.094 -0.100 0.000 1.042 333 V CA -0.885 61.391 62.300 -0.040 0.000 0.872 333 V CB 2.552 34.383 31.823 0.012 0.000 0.998 333 V HN -0.152 nan 8.190 nan 0.000 0.423 334 D N 3.310 123.656 120.400 -0.092 0.000 2.414 334 D HA 0.465 5.105 4.640 0.000 0.000 0.232 334 D C -0.792 175.470 176.300 -0.064 0.000 1.070 334 D CA -0.096 53.830 54.000 -0.122 0.000 0.839 334 D CB 1.921 42.644 40.800 -0.128 0.000 1.079 334 D HN 0.277 nan 8.370 nan 0.000 0.521 335 V N 4.465 124.320 119.914 -0.098 0.000 2.277 335 V HA 0.229 4.349 4.120 0.000 0.000 0.269 335 V C 0.303 176.331 176.094 -0.110 0.000 1.036 335 V CA -0.843 61.431 62.300 -0.044 0.000 0.821 335 V CB 1.339 33.106 31.823 -0.092 0.000 1.052 335 V HN 0.299 nan 8.190 nan 0.000 0.462 336 V N 4.792 124.672 119.914 -0.057 0.000 2.339 336 V HA 0.607 4.727 4.120 0.000 0.000 0.261 336 V C 0.379 176.349 176.094 -0.207 0.000 1.058 336 V CA 0.479 62.715 62.300 -0.105 0.000 0.897 336 V CB 0.647 32.438 31.823 -0.054 0.000 1.052 336 V HN 0.986 nan 8.190 nan 0.000 0.480 337 T N 2.531 116.891 114.554 -0.323 0.000 2.677 337 T HA 0.240 4.590 4.350 0.000 0.000 0.305 337 T C -1.660 172.805 174.700 -0.391 0.000 1.569 337 T CA -0.640 61.121 62.100 -0.565 0.000 0.984 337 T CB 1.723 69.833 68.868 -1.264 0.000 1.629 337 T HN 0.666 nan 8.240 nan 0.000 0.494 338 D N 0.663 120.824 120.400 -0.398 0.000 2.351 338 D HA 0.333 4.973 4.640 0.000 0.000 0.251 338 D C 1.482 177.685 176.300 -0.162 0.000 1.137 338 D CA -0.009 53.861 54.000 -0.217 0.000 0.879 338 D CB 1.006 41.708 40.800 -0.164 0.000 1.181 338 D HN 0.252 nan 8.370 nan 0.000 0.448 339 V N 3.946 123.811 119.914 -0.081 0.000 2.343 339 V HA -0.198 3.922 4.120 0.000 0.000 0.247 339 V C 2.166 178.302 176.094 0.070 0.000 1.051 339 V CA 1.323 63.618 62.300 -0.008 0.000 1.036 339 V CB -0.684 31.133 31.823 -0.010 0.000 0.654 339 V HN 0.614 nan 8.190 nan 0.000 0.451 340 L N 1.097 122.337 121.223 0.028 0.000 2.017 340 L HA -0.084 4.256 4.340 0.000 0.000 0.208 340 L C 2.473 179.377 176.870 0.056 0.000 1.073 340 L CA 2.392 57.258 54.840 0.044 0.000 0.745 340 L CB -1.083 40.991 42.059 0.025 0.000 0.894 340 L HN 0.223 nan 8.230 nan 0.000 0.432 341 A N -0.944 121.886 122.820 0.018 0.000 1.978 341 A HA -0.285 4.035 4.320 0.000 0.000 0.220 341 A C 2.263 179.931 177.584 0.140 0.000 1.170 341 A CA 1.982 54.048 52.037 0.049 0.000 0.636 341 A CB -1.188 17.763 19.000 -0.082 0.000 0.810 341 A HN 0.619 nan 8.150 nan 0.000 0.448 342 F N 0.598 120.504 119.950 -0.074 0.000 2.084 342 F HA -0.108 4.419 4.527 0.000 0.000 0.296 342 F C 2.151 178.063 175.800 0.186 0.000 1.111 342 F CA 1.910 59.952 58.000 0.071 0.000 1.224 342 F CB -0.513 38.439 39.000 -0.080 0.000 0.991 342 F HN 0.003 nan 8.300 nan 0.000 0.471 343 V N 0.993 120.877 119.914 -0.050 0.000 2.324 343 V HA -0.331 3.789 4.120 0.000 0.000 0.250 343 V C 2.328 178.391 176.094 -0.052 0.000 1.060 343 V CA 2.465 64.699 62.300 -0.111 0.000 1.042 343 V CB -0.827 31.031 31.823 0.059 0.000 0.650 343 V HN 0.406 nan 8.190 nan 0.000 0.450 344 E N -0.807 119.409 120.200 0.028 0.000 2.077 344 E HA -0.261 4.089 4.350 0.000 0.000 0.193 344 E C 2.148 178.779 176.600 0.052 0.000 0.989 344 E CA 1.527 57.954 56.400 0.044 0.000 0.800 344 E CB -0.215 29.530 29.700 0.075 0.000 0.746 344 E HN 0.797 nan 8.360 nan 0.000 0.452 345 H N -0.641 118.447 119.070 0.030 0.000 2.389 345 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 345 H C 1.724 177.015 175.328 -0.060 0.000 1.081 345 H CA 1.198 57.262 56.048 0.026 0.000 1.345 345 H CB -0.027 29.842 29.762 0.177 0.000 1.393 345 H HN 0.081 nan 8.280 nan 0.000 0.520 346 F N 1.446 121.211 119.950 -0.308 0.000 2.171 346 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 346 F C 2.204 177.793 175.800 -0.352 0.000 1.090 346 F CA 1.335 59.075 58.000 -0.432 0.000 1.293 346 F CB -0.105 38.460 39.000 -0.725 0.000 1.013 346 F HN 0.234 nan 8.300 nan 0.000 0.486 347 E N -0.464 119.633 120.200 -0.171 0.000 2.038 347 E HA -0.187 4.163 4.350 0.000 0.000 0.195 347 E C 2.210 178.636 176.600 -0.291 0.000 1.000 347 E CA 2.017 58.291 56.400 -0.210 0.000 0.803 347 E CB -0.902 28.735 29.700 -0.105 0.000 0.750 347 E HN 0.314 nan 8.360 nan 0.000 0.448 348 T N 1.443 115.838 114.554 -0.264 0.000 2.635 348 T HA -0.185 4.165 4.350 0.000 0.000 0.267 348 T C 1.903 176.385 174.700 -0.364 0.000 1.040 348 T CA 1.879 63.813 62.100 -0.277 0.000 1.156 348 T CB -0.286 68.417 68.868 -0.275 0.000 0.863 348 T HN 0.299 nan 8.240 nan 0.000 0.430 349 A N 1.118 123.652 122.820 -0.476 0.000 2.119 349 A HA 0.007 4.327 4.320 0.000 0.000 0.217 349 A C 2.173 179.317 177.584 -0.733 0.000 1.153 349 A CA 1.631 53.374 52.037 -0.490 0.000 0.692 349 A CB -0.543 18.195 19.000 -0.438 0.000 0.799 349 A HN 0.614 nan 8.150 nan 0.000 0.458 350 T N -4.770 109.210 114.554 -0.957 0.000 3.182 350 T HA 0.567 4.917 4.350 0.000 0.000 0.277 350 T C 1.314 175.555 174.700 -0.765 0.000 1.013 350 T CA 0.631 61.799 62.100 -1.554 0.000 0.900 350 T CB 0.375 68.337 68.868 -1.511 0.000 1.098 350 T HN 0.358 nan 8.240 nan 0.000 0.543 351 A N 2.310 124.877 122.820 -0.420 0.000 1.933 351 A HA 0.065 4.385 4.320 0.000 0.000 0.218 351 A C 2.131 179.667 177.584 -0.081 0.000 1.175 351 A CA 1.416 53.332 52.037 -0.202 0.000 0.628 351 A CB -0.651 18.259 19.000 -0.150 0.000 0.814 351 A HN 0.814 nan 8.150 nan 0.000 0.444 352 S N -1.039 114.656 115.700 -0.009 0.000 2.489 352 S HA 0.585 5.055 4.470 0.000 0.000 0.237 352 S C -0.578 174.181 174.600 0.266 0.000 1.220 352 S CA -0.724 57.531 58.200 0.092 0.000 1.231 352 S CB -0.570 62.671 63.200 0.068 0.000 0.900 352 S HN 0.066 nan 8.310 nan 0.000 0.492 353 F N 1.672 121.577 119.950 -0.075 0.000 2.458 353 F HA 0.738 5.265 4.527 0.000 0.000 0.330 353 F C 1.052 176.824 175.800 -0.048 0.000 1.082 353 F CA -1.425 56.533 58.000 -0.070 0.000 0.995 353 F CB 1.275 40.218 39.000 -0.096 0.000 1.170 353 F HN 0.339 nan 8.300 nan 0.000 0.478 354 G N 1.262 110.106 108.800 0.073 0.000 2.390 354 G HA2 0.488 4.448 3.960 0.000 0.000 0.270 354 G HA3 0.488 4.448 3.960 0.000 0.000 0.270 354 G C -0.411 174.523 174.900 0.057 0.000 1.211 354 G CA -0.390 44.732 45.100 0.037 0.000 0.842 354 G HN 0.899 nan 8.290 nan 0.000 0.519 355 A N 2.518 125.371 122.820 0.056 0.000 2.555 355 A HA 0.374 4.694 4.320 0.000 0.000 0.233 355 A C 0.740 178.353 177.584 0.049 0.000 1.060 355 A CA 0.303 52.375 52.037 0.058 0.000 0.759 355 A CB 0.304 19.334 19.000 0.050 0.000 0.995 355 A HN 0.598 nan 8.150 nan 0.000 0.506 356 K N 1.130 121.568 120.400 0.063 0.000 2.211 356 K HA 0.342 4.662 4.320 0.000 0.000 0.237 356 K C -0.532 176.123 176.600 0.092 0.000 1.002 356 K CA -0.806 55.518 56.287 0.062 0.000 0.885 356 K CB 0.846 33.391 32.500 0.075 0.000 1.136 356 K HN 0.708 nan 8.250 nan 0.000 0.448 357 Q N 2.300 122.169 119.800 0.116 0.000 2.314 357 Q HA 0.110 4.450 4.340 0.000 0.000 0.257 357 Q C -0.008 176.181 176.000 0.315 0.000 0.975 357 Q CA -0.120 55.795 55.803 0.186 0.000 0.933 357 Q CB 0.997 29.857 28.738 0.202 0.000 1.195 357 Q HN 0.458 nan 8.270 nan 0.000 0.426 358 R N 2.634 123.264 120.500 0.216 0.000 2.390 358 R HA 0.233 4.573 4.340 0.000 0.000 0.291 358 R C 0.406 176.787 176.300 0.134 0.000 1.070 358 R CA -0.651 55.573 56.100 0.207 0.000 1.014 358 R CB 0.516 30.890 30.300 0.124 0.000 1.007 358 R HN 0.555 nan 8.270 nan 0.000 0.466 359 H N 0.707 119.721 119.070 -0.093 0.000 2.745 359 H HA 0.087 4.643 4.556 0.000 0.000 0.373 359 H C -1.081 174.255 175.328 0.014 0.000 1.226 359 H CA -0.401 55.510 56.048 -0.229 0.000 1.435 359 H CB 0.654 30.175 29.762 -0.401 0.000 1.461 359 H HN 0.782 nan 8.280 nan 0.000 0.616 360 D N 1.104 121.469 120.400 -0.059 0.000 2.280 360 D HA 0.264 4.904 4.640 0.000 0.000 0.236 360 D C 0.680 176.896 176.300 -0.140 0.000 1.082 360 D CA -0.694 53.247 54.000 -0.099 0.000 0.834 360 D CB 0.205 40.987 40.800 -0.031 0.000 1.100 360 D HN 0.630 nan 8.370 nan 0.000 0.486 361 I N 0.381 120.787 120.570 -0.273 0.000 3.966 361 I HA 0.356 4.526 4.170 0.000 0.000 0.324 361 I C 0.839 176.831 176.117 -0.207 0.000 1.517 361 I CA -0.522 60.623 61.300 -0.258 0.000 1.117 361 I CB 0.659 38.386 38.000 -0.455 0.000 1.190 361 I HN 0.133 nan 8.210 nan 0.000 0.466 362 E N 2.254 122.362 120.200 -0.153 0.000 2.160 362 E HA -0.107 4.243 4.350 0.000 0.000 0.195 362 E C -0.505 176.062 176.600 -0.055 0.000 0.991 362 E CA 1.378 57.713 56.400 -0.108 0.000 0.810 362 E CB -1.496 28.160 29.700 -0.073 0.000 0.742 362 E HN 0.491 nan 8.360 nan 0.000 0.466 363 P HA -0.155 nan 4.420 nan 0.000 0.216 363 P C 1.737 179.046 177.300 0.014 0.000 1.153 363 P CA 0.849 64.023 63.100 0.122 0.000 0.858 363 P CB -0.054 31.797 31.700 0.252 0.000 0.789 364 L N -0.433 120.764 121.223 -0.045 0.000 2.044 364 L HA -0.021 4.319 4.340 0.000 0.000 0.205 364 L C 2.359 179.059 176.870 -0.283 0.000 1.075 364 L CA 1.737 56.411 54.840 -0.277 0.000 0.747 364 L CB -1.032 40.962 42.059 -0.107 0.000 0.903 364 L HN -0.235 nan 8.230 nan 0.000 0.435 365 R N -0.465 119.914 120.500 -0.202 0.000 2.117 365 R HA -0.153 4.187 4.340 0.000 0.000 0.243 365 R C 2.082 178.307 176.300 -0.125 0.000 1.143 365 R CA 1.422 57.423 56.100 -0.166 0.000 0.968 365 R CB -0.554 29.648 30.300 -0.164 0.000 0.863 365 R HN 0.555 nan 8.270 nan 0.000 0.444 366 A N 0.615 123.362 122.820 -0.121 0.000 1.930 366 A HA -0.097 4.223 4.320 0.000 0.000 0.215 366 A C 2.074 179.606 177.584 -0.087 0.000 1.176 366 A CA 0.776 52.768 52.037 -0.076 0.000 0.632 366 A CB -0.212 18.761 19.000 -0.044 0.000 0.819 366 A HN 0.061 nan 8.150 nan 0.000 0.445 367 R N 0.493 120.872 120.500 -0.202 0.000 2.105 367 R HA -0.021 4.319 4.340 0.000 0.000 0.239 367 R C 1.616 177.873 176.300 -0.073 0.000 1.135 367 R CA 1.674 57.633 56.100 -0.235 0.000 0.967 367 R CB -0.811 29.017 30.300 -0.787 0.000 0.861 367 R HN 0.576 nan 8.270 nan 0.000 0.442 368 I N -0.254 120.254 120.570 -0.102 0.000 2.193 368 I HA -0.182 3.988 4.170 0.000 0.000 0.240 368 I C 2.177 178.370 176.117 0.127 0.000 1.084 368 I CA 1.270 62.607 61.300 0.063 0.000 1.365 368 I CB -0.400 37.602 38.000 0.003 0.000 1.064 368 I HN 0.262 nan 8.210 nan 0.000 0.410 369 A N 0.000 122.848 122.820 0.046 0.000 1.978 369 A HA -0.272 4.048 4.320 0.000 0.000 0.220 369 A C 2.273 179.870 177.584 0.023 0.000 1.170 369 A CA 1.877 53.933 52.037 0.032 0.000 0.636 369 A CB -0.632 18.372 19.000 0.006 0.000 0.810 369 A HN 0.514 nan 8.150 nan 0.000 0.448 370 E N -1.104 119.114 120.200 0.031 0.000 2.031 370 E HA -0.189 4.161 4.350 0.000 0.000 0.193 370 E C 1.693 178.273 176.600 -0.034 0.000 0.994 370 E CA 1.218 57.622 56.400 0.007 0.000 0.800 370 E CB -0.251 29.460 29.700 0.019 0.000 0.752 370 E HN 0.561 nan 8.360 nan 0.000 0.447 371 F N 1.140 120.970 119.950 -0.200 0.000 2.091 371 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 371 F C 2.344 177.940 175.800 -0.339 0.000 1.103 371 F CA 1.317 59.072 58.000 -0.409 0.000 1.228 371 F CB -0.353 38.317 39.000 -0.551 0.000 0.984 371 F HN 0.080 nan 8.300 nan 0.000 0.477 372 L N -1.070 120.094 121.223 -0.099 0.000 2.127 372 L HA -0.208 4.132 4.340 0.000 0.000 0.211 372 L C 2.225 179.090 176.870 -0.008 0.000 1.089 372 L CA 1.222 56.011 54.840 -0.086 0.000 0.757 372 L CB -0.672 41.368 42.059 -0.031 0.000 0.899 372 L HN 0.157 nan 8.230 nan 0.000 0.434 373 A N -1.907 120.909 122.820 -0.008 0.000 2.348 373 A HA -0.007 4.313 4.320 0.000 0.000 0.224 373 A C 0.472 178.058 177.584 0.003 0.000 1.227 373 A CA -0.317 51.721 52.037 0.002 0.000 0.885 373 A CB -0.195 18.803 19.000 -0.003 0.000 0.933 373 A HN 0.230 nan 8.150 nan 0.000 0.506 374 D N 1.718 122.119 120.400 0.001 0.000 2.899 374 D HA -0.057 4.583 4.640 0.000 0.000 0.254 374 D C -1.290 175.042 176.300 0.053 0.000 1.320 374 D CA -0.566 53.447 54.000 0.022 0.000 0.929 374 D CB 0.823 41.684 40.800 0.101 0.000 1.148 374 D HN 0.265 nan 8.370 nan 0.000 0.571 375 P HA 0.016 nan 4.420 nan 0.000 0.251 375 P C 0.305 177.588 177.300 -0.028 0.000 1.223 375 P CA -0.075 63.024 63.100 -0.002 0.000 0.796 375 P CB 0.246 31.935 31.700 -0.018 0.000 1.068 376 E N 0.579 120.739 120.200 -0.067 0.000 2.502 376 E HA 0.031 4.381 4.350 0.000 0.000 0.261 376 E C -0.416 176.074 176.600 -0.183 0.000 0.974 376 E CA 0.545 56.812 56.400 -0.221 0.000 0.936 376 E CB 0.222 29.637 29.700 -0.474 0.000 0.926 376 E HN -0.054 nan 8.360 nan 0.000 0.459 377 T N 3.789 118.221 114.554 -0.203 0.000 2.799 377 T HA 0.300 4.650 4.350 0.000 0.000 0.286 377 T C -1.188 173.407 174.700 -0.174 0.000 0.973 377 T CA -0.249 61.800 62.100 -0.085 0.000 1.035 377 T CB 0.154 68.991 68.868 -0.052 0.000 0.932 377 T HN 0.250 nan 8.240 nan 0.000 0.469 378 Y N 0.890 121.169 120.300 -0.036 0.000 2.496 378 Y HA 0.515 5.065 4.550 -0.000 0.000 0.331 378 Y C 1.522 177.400 175.900 -0.036 0.000 1.140 378 Y CA -0.775 57.304 58.100 -0.034 0.000 1.166 378 Y CB 0.487 38.923 38.460 -0.041 0.000 1.249 378 Y HN 0.778 nan 8.280 nan 0.000 0.479 379 E N 1.112 121.385 120.200 0.121 0.000 1.993 379 E HA -0.201 4.149 4.350 0.000 0.000 0.198 379 E C 1.362 177.986 176.600 0.040 0.000 0.999 379 E CA 2.048 58.479 56.400 0.053 0.000 0.850 379 E CB -1.200 28.521 29.700 0.035 0.000 0.796 379 E HN 0.841 nan 8.360 nan 0.000 0.482 380 D N -0.132 120.285 120.400 0.029 0.000 2.242 380 D HA 0.173 4.813 4.640 0.000 0.000 0.193 380 D C 1.267 177.550 176.300 -0.028 0.000 1.005 380 D CA 1.864 55.859 54.000 -0.008 0.000 0.856 380 D CB -0.805 39.978 40.800 -0.028 0.000 1.001 380 D HN 0.786 nan 8.370 nan 0.000 0.452 381 G N -2.208 106.559 108.800 -0.054 0.000 2.870 381 G HA2 0.564 4.524 3.960 0.000 0.000 0.299 381 G HA3 0.564 4.524 3.960 0.000 0.000 0.299 381 G C -0.578 174.260 174.900 -0.104 0.000 1.324 381 G CA -0.778 44.273 45.100 -0.081 0.000 0.808 381 G HN 0.112 nan 8.290 nan 0.000 0.535 382 M N -0.014 119.504 119.600 -0.138 0.000 2.043 382 M HA 0.400 4.880 4.480 0.000 0.000 0.272 382 M C 0.390 176.477 176.300 -0.355 0.000 1.279 382 M CA 0.066 55.259 55.300 -0.179 0.000 1.109 382 M CB 0.353 32.865 32.600 -0.147 0.000 1.377 382 M HN 0.186 nan 8.290 nan 0.000 0.469 383 R N 0.023 120.256 120.500 -0.445 0.000 2.711 383 R HA 0.367 4.707 4.340 0.000 0.000 0.284 383 R C 0.628 176.591 176.300 -0.562 0.000 0.968 383 R CA -0.474 55.265 56.100 -0.602 0.000 0.924 383 R CB 1.480 31.268 30.300 -0.852 0.000 1.162 383 R HN 0.522 nan 8.270 nan 0.000 0.465 384 V N 2.016 121.632 119.914 -0.497 0.000 2.626 384 V HA -0.223 3.897 4.120 0.000 0.000 0.252 384 V C 1.896 177.928 176.094 -0.103 0.000 1.067 384 V CA 2.048 64.163 62.300 -0.310 0.000 1.081 384 V CB -0.913 30.669 31.823 -0.402 0.000 0.686 384 V HN 0.796 nan 8.190 nan 0.000 0.468 385 H N 0.181 119.341 119.070 0.149 0.000 2.421 385 H HA -0.144 4.412 4.556 0.000 0.000 0.298 385 H C 2.109 177.392 175.328 -0.075 0.000 1.087 385 H CA 1.484 57.519 56.048 -0.021 0.000 1.330 385 H CB -0.624 29.026 29.762 -0.186 0.000 1.388 385 H HN 0.435 nan 8.280 nan 0.000 0.526 386 Q N 0.701 120.424 119.800 -0.127 0.000 2.119 386 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 386 Q C 2.458 178.438 176.000 -0.034 0.000 0.972 386 Q CA 1.481 57.259 55.803 -0.042 0.000 0.847 386 Q CB 0.035 28.731 28.738 -0.071 0.000 0.903 386 Q HN 0.412 nan 8.270 nan 0.000 0.433 387 V N 0.981 120.855 119.914 -0.066 0.000 2.307 387 V HA -0.238 3.882 4.120 0.000 0.000 0.245 387 V C 2.130 178.243 176.094 0.033 0.000 1.045 387 V CA 1.530 63.809 62.300 -0.035 0.000 1.024 387 V CB -0.395 31.384 31.823 -0.072 0.000 0.651 387 V HN 0.315 nan 8.190 nan 0.000 0.449 388 I N 0.516 121.133 120.570 0.079 0.000 2.286 388 I HA -0.247 3.923 4.170 0.000 0.000 0.248 388 I C 2.318 178.510 176.117 0.124 0.000 1.115 388 I CA 1.958 63.345 61.300 0.145 0.000 1.392 388 I CB -0.390 37.752 38.000 0.236 0.000 1.065 388 I HN 0.394 nan 8.210 nan 0.000 0.418 389 D N 0.495 120.942 120.400 0.080 0.000 2.117 389 D HA -0.167 4.473 4.640 0.000 0.000 0.197 389 D C 2.211 178.555 176.300 0.073 0.000 0.987 389 D CA 1.664 55.704 54.000 0.067 0.000 0.829 389 D CB 0.115 40.936 40.800 0.035 0.000 0.961 389 D HN 0.168 nan 8.370 nan 0.000 0.460 390 S N -0.450 115.286 115.700 0.060 0.000 2.359 390 S HA -0.197 4.273 4.470 0.000 0.000 0.224 390 S C 2.098 176.759 174.600 0.101 0.000 1.035 390 S CA 1.255 59.490 58.200 0.059 0.000 1.018 390 S CB -0.336 62.880 63.200 0.027 0.000 0.876 390 S HN 0.349 nan 8.310 nan 0.000 0.448 391 M N 1.589 121.267 119.600 0.130 0.000 2.117 391 M HA -0.112 4.368 4.480 0.000 0.000 0.262 391 M C 1.848 178.319 176.300 0.285 0.000 1.065 391 M CA 1.097 56.544 55.300 0.245 0.000 1.114 391 M CB -0.638 32.122 32.600 0.266 0.000 1.361 391 M HN 0.201 nan 8.290 nan 0.000 0.408 392 N N 0.039 118.851 118.700 0.186 0.000 2.094 392 N HA -0.134 4.606 4.740 0.000 0.000 0.191 392 N C 1.663 177.242 175.510 0.116 0.000 1.023 392 N CA 1.931 55.062 53.050 0.135 0.000 0.857 392 N CB -0.923 37.628 38.487 0.107 0.000 1.013 392 N HN 0.336 nan 8.380 nan 0.000 0.426 393 T N 0.775 115.397 114.554 0.113 0.000 2.708 393 T HA -0.045 4.305 4.350 0.000 0.000 0.266 393 T C 2.078 176.844 174.700 0.110 0.000 1.037 393 T CA 1.121 63.275 62.100 0.090 0.000 1.146 393 T CB -0.252 68.659 68.868 0.072 0.000 0.865 393 T HN 0.024 nan 8.240 nan 0.000 0.435 394 V N 1.053 121.070 119.914 0.172 0.000 2.591 394 V HA -0.044 4.076 4.120 0.000 0.000 0.249 394 V C 2.324 178.570 176.094 0.253 0.000 1.053 394 V CA 1.196 63.631 62.300 0.226 0.000 1.068 394 V CB -0.605 31.372 31.823 0.257 0.000 0.689 394 V HN 0.360 nan 8.190 nan 0.000 0.462 395 M N 1.227 120.949 119.600 0.202 0.000 2.077 395 M HA -0.159 4.321 4.480 0.000 0.000 0.261 395 M C 2.116 178.388 176.300 -0.046 0.000 1.070 395 M CA 2.202 57.431 55.300 -0.119 0.000 1.125 395 M CB -0.730 31.737 32.600 -0.222 0.000 1.339 395 M HN 0.414 nan 8.290 nan 0.000 0.409 396 E N -0.228 119.980 120.200 0.013 0.000 2.097 396 E HA -0.274 4.076 4.350 0.000 0.000 0.196 396 E C 1.790 178.401 176.600 0.019 0.000 1.000 396 E CA 2.072 58.482 56.400 0.015 0.000 0.804 396 E CB -0.213 29.506 29.700 0.031 0.000 0.740 396 E HN 0.741 nan 8.360 nan 0.000 0.454 397 E N -0.081 120.142 120.200 0.038 0.000 2.031 397 E HA -0.176 4.174 4.350 0.000 0.000 0.193 397 E C 2.059 178.678 176.600 0.032 0.000 0.994 397 E CA 1.049 57.472 56.400 0.038 0.000 0.800 397 E CB -0.169 29.563 29.700 0.054 0.000 0.752 397 E HN 0.404 nan 8.360 nan 0.000 0.447 398 A N 1.053 123.898 122.820 0.041 0.000 2.014 398 A HA 0.185 4.505 4.320 0.000 0.000 0.218 398 A C 1.249 178.834 177.584 0.002 0.000 1.163 398 A CA 0.788 52.847 52.037 0.037 0.000 0.652 398 A CB -0.022 19.028 19.000 0.083 0.000 0.808 398 A HN 0.216 nan 8.150 nan 0.000 0.449 399 A N 0.730 123.536 122.820 -0.023 0.000 2.301 399 A HA 0.539 4.859 4.320 0.000 0.000 0.312 399 A C -0.099 177.479 177.584 -0.011 0.000 1.182 399 A CA -0.669 51.349 52.037 -0.033 0.000 0.826 399 A CB 0.354 19.314 19.000 -0.065 0.000 1.134 399 A HN 0.325 nan 8.150 nan 0.000 0.501 400 E N 2.381 122.578 120.200 -0.005 0.000 2.436 400 E HA 0.115 4.465 4.350 0.000 0.000 0.262 400 E C -2.170 174.431 176.600 0.003 0.000 1.063 400 E CA -1.191 55.211 56.400 0.002 0.000 0.944 400 E CB -0.203 29.500 29.700 0.005 0.000 0.950 400 E HN 0.443 nan 8.360 nan 0.000 0.444 401 P HA -0.046 nan 4.420 nan 0.000 0.266 401 P C 0.655 177.962 177.300 0.012 0.000 1.195 401 P CA 0.646 63.752 63.100 0.011 0.000 0.768 401 P CB 0.313 32.022 31.700 0.014 0.000 0.838 402 G N 1.258 110.067 108.800 0.014 0.000 2.168 402 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 402 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 402 G C 0.022 174.929 174.900 0.013 0.000 0.997 402 G CA 0.273 45.382 45.100 0.015 0.000 0.708 402 G HN 0.624 nan 8.290 nan 0.000 0.520 403 E N -1.234 118.969 120.200 0.006 0.000 2.412 403 E HA 0.663 5.013 4.350 0.000 0.000 0.255 403 E C 0.478 177.069 176.600 -0.015 0.000 0.933 403 E CA -0.474 55.927 56.400 0.001 0.000 0.823 403 E CB 1.817 31.516 29.700 -0.002 0.000 1.352 403 E HN 1.496 nan 8.360 nan 0.000 0.406 404 G N 0.018 108.800 108.800 -0.030 0.000 2.692 404 G HA2 -0.087 3.873 3.960 0.000 0.000 0.686 404 G HA3 -0.087 3.873 3.960 0.000 0.000 0.686 404 G C -0.862 174.018 174.900 -0.032 0.000 1.243 404 G CA -0.567 44.490 45.100 -0.073 0.000 0.782 404 G HN 0.398 nan 8.290 nan 0.000 0.625 405 T N 1.291 115.811 114.554 -0.057 0.000 3.011 405 T HA 0.588 4.938 4.350 0.000 0.000 0.303 405 T C 0.179 174.889 174.700 0.017 0.000 0.997 405 T CA -0.487 61.620 62.100 0.011 0.000 1.007 405 T CB 1.294 70.175 68.868 0.022 0.000 1.017 405 T HN 0.685 nan 8.240 nan 0.000 0.443 406 I N 3.137 123.774 120.570 0.111 0.000 2.321 406 I HA 0.469 4.639 4.170 0.000 0.000 0.291 406 I C -0.264 175.933 176.117 0.134 0.000 0.998 406 I CA -0.993 60.427 61.300 0.200 0.000 1.227 406 I CB 1.480 39.689 38.000 0.348 0.000 1.368 406 I HN 0.283 nan 8.210 nan 0.000 0.466 407 V N 4.949 124.925 119.914 0.104 0.000 2.547 407 V HA 0.407 4.527 4.120 0.000 0.000 0.299 407 V C 0.040 176.188 176.094 0.090 0.000 1.040 407 V CA -0.449 61.852 62.300 0.003 0.000 0.913 407 V CB 1.820 33.659 31.823 0.027 0.000 0.992 407 V HN 0.773 nan 8.190 nan 0.000 0.449 408 S N 2.529 118.240 115.700 0.019 0.000 2.532 408 S HA 0.351 4.821 4.470 0.000 0.000 0.299 408 S C -0.349 174.399 174.600 0.246 0.000 1.105 408 S CA -0.693 57.631 58.200 0.206 0.000 1.018 408 S CB 1.295 64.626 63.200 0.217 0.000 1.021 408 S HN 0.881 nan 8.310 nan 0.000 0.483 409 D N 2.075 122.713 120.400 0.397 0.000 2.169 409 D HA 0.171 4.811 4.640 0.000 0.000 0.253 409 D C -0.054 176.373 176.300 0.211 0.000 1.257 409 D CA 0.186 54.440 54.000 0.423 0.000 0.976 409 D CB 0.381 41.486 40.800 0.509 0.000 1.195 409 D HN 0.431 nan 8.370 nan 0.000 0.534 410 I N -0.801 119.898 120.570 0.215 0.000 2.530 410 I HA 0.593 4.763 4.170 0.000 0.000 0.297 410 I C 0.890 177.029 176.117 0.036 0.000 1.011 410 I CA -0.337 60.946 61.300 -0.028 0.000 1.107 410 I CB 0.715 38.753 38.000 0.064 0.000 1.285 410 I HN 0.594 nan 8.210 nan 0.000 0.436 411 G N 3.515 112.184 108.800 -0.219 0.000 2.341 411 G HA2 0.092 4.052 3.960 0.000 0.000 0.293 411 G HA3 0.092 4.052 3.960 0.000 0.000 0.293 411 G C -0.307 174.503 174.900 -0.151 0.000 1.298 411 G CA -0.664 44.440 45.100 0.007 0.000 0.868 411 G HN 0.321 nan 8.290 nan 0.000 0.540 412 F N 0.892 120.763 119.950 -0.133 0.000 2.120 412 F HA -0.022 4.505 4.527 0.000 0.000 0.300 412 F C 2.518 178.253 175.800 -0.108 0.000 1.095 412 F CA 2.526 60.390 58.000 -0.227 0.000 1.249 412 F CB -0.517 38.216 39.000 -0.445 0.000 0.995 412 F HN 0.466 nan 8.300 nan 0.000 0.480 413 F N 0.126 120.015 119.950 -0.101 0.000 2.333 413 F HA -0.022 4.505 4.527 0.000 0.000 0.300 413 F C 2.276 178.079 175.800 0.004 0.000 1.083 413 F CA 1.216 59.155 58.000 -0.103 0.000 1.395 413 F CB -1.168 37.844 39.000 0.021 0.000 1.056 413 F HN -0.109 nan 8.300 nan 0.000 0.529 414 R N 0.732 120.491 120.500 -1.236 0.000 2.096 414 R HA -0.170 4.170 4.340 0.000 0.000 0.235 414 R C 2.022 177.969 176.300 -0.589 0.000 1.127 414 R CA 1.906 57.441 56.100 -0.942 0.000 0.968 414 R CB -1.024 28.677 30.300 -0.998 0.000 0.861 414 R HN 0.446 nan 8.270 nan 0.000 0.440 415 H N -0.896 117.928 119.070 -0.410 0.000 2.491 415 H HA -0.110 4.446 4.556 0.000 0.000 0.290 415 H C 1.645 176.793 175.328 -0.300 0.000 1.050 415 H CA 1.165 56.979 56.048 -0.390 0.000 1.309 415 H CB -0.123 29.361 29.762 -0.464 0.000 1.392 415 H HN 0.251 nan 8.280 nan 0.000 0.554 416 Y N 0.632 120.795 120.300 -0.228 0.000 2.200 416 Y HA -0.078 4.472 4.550 0.000 0.000 0.290 416 Y C 2.880 178.737 175.900 -0.071 0.000 1.137 416 Y CA 1.003 59.075 58.100 -0.046 0.000 1.163 416 Y CB -0.720 37.877 38.460 0.229 0.000 0.988 416 Y HN 0.190 nan 8.280 nan 0.000 0.518 417 G N -0.306 108.552 108.800 0.096 0.000 2.469 417 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 417 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 417 G C 1.818 176.365 174.900 -0.588 0.000 1.150 417 G CA 1.552 46.614 45.100 -0.063 0.000 0.763 417 G HN 0.292 nan 8.290 nan 0.000 0.561 418 V N 0.810 120.420 119.914 -0.506 0.000 2.287 418 V HA -0.149 3.971 4.120 0.000 0.000 0.248 418 V C 2.903 178.711 176.094 -0.476 0.000 1.053 418 V CA 1.619 63.605 62.300 -0.524 0.000 1.027 418 V CB -0.436 31.168 31.823 -0.366 0.000 0.646 418 V HN 0.351 nan 8.190 nan 0.000 0.447 419 L N -1.723 119.160 121.223 -0.567 0.000 2.072 419 L HA -0.056 4.284 4.340 0.000 0.000 0.205 419 L C 2.085 178.566 176.870 -0.648 0.000 1.079 419 L CA 1.566 55.938 54.840 -0.781 0.000 0.752 419 L CB -0.273 40.941 42.059 -1.408 0.000 0.906 419 L HN 0.315 nan 8.230 nan 0.000 0.436 420 F N -0.859 119.000 119.950 -0.152 0.000 2.746 420 F HA 0.357 4.884 4.527 -0.000 0.000 0.313 420 F C 1.190 176.943 175.800 -0.079 0.000 1.095 420 F CA -0.822 57.133 58.000 -0.074 0.000 1.224 420 F CB -0.417 38.599 39.000 0.027 0.000 1.060 420 F HN -0.202 nan 8.300 nan 0.000 0.584 421 A N 1.702 124.491 122.820 -0.052 0.000 2.388 421 A HA 0.436 4.756 4.320 0.000 0.000 0.257 421 A C 0.573 178.125 177.584 -0.054 0.000 1.095 421 A CA -0.452 51.544 52.037 -0.068 0.000 0.791 421 A CB 0.177 19.014 19.000 -0.271 0.000 1.029 421 A HN 0.333 nan 8.150 nan 0.000 0.489 422 R N 1.645 122.172 120.500 0.044 0.000 2.340 422 R HA 0.532 4.872 4.340 0.000 0.000 0.300 422 R C -0.589 175.757 176.300 0.076 0.000 1.069 422 R CA 0.312 56.443 56.100 0.051 0.000 0.984 422 R CB 0.630 30.967 30.300 0.061 0.000 1.003 422 R HN 0.812 nan 8.270 nan 0.000 0.459 423 A N 4.060 126.920 122.820 0.067 0.000 2.522 423 A HA 0.206 4.526 4.320 0.000 0.000 0.285 423 A C -0.878 176.742 177.584 0.059 0.000 1.198 423 A CA -0.739 51.355 52.037 0.095 0.000 0.742 423 A CB 1.350 20.427 19.000 0.127 0.000 1.176 423 A HN 0.872 nan 8.150 nan 0.000 0.444 424 D N 1.419 121.848 120.400 0.048 0.000 2.395 424 D HA 0.153 4.793 4.640 0.000 0.000 0.213 424 D C 0.515 176.830 176.300 0.024 0.000 1.110 424 D CA 0.738 54.758 54.000 0.033 0.000 0.835 424 D CB 0.308 41.125 40.800 0.027 0.000 0.965 424 D HN 0.768 nan 8.370 nan 0.000 0.505 425 Q N -1.533 118.284 119.800 0.027 0.000 2.534 425 Q HA 0.546 4.886 4.340 0.000 0.000 0.290 425 Q C -2.945 173.047 176.000 -0.014 0.000 0.991 425 Q CA -2.283 53.524 55.803 0.007 0.000 0.783 425 Q CB 1.193 29.942 28.738 0.018 0.000 1.470 425 Q HN -0.268 nan 8.270 nan 0.000 0.406 426 P HA -0.048 nan 4.420 nan 0.000 0.261 426 P C -0.852 176.356 177.300 -0.153 0.000 1.173 426 P CA 0.578 63.520 63.100 -0.263 0.000 0.760 426 P CB -0.082 31.389 31.700 -0.383 0.000 0.783 427 F N 0.960 120.945 119.950 0.059 0.000 3.084 427 F HA -0.194 4.333 4.527 -0.000 0.000 0.286 427 F C 1.659 177.493 175.800 0.056 0.000 0.855 427 F CA 1.175 59.206 58.000 0.052 0.000 1.091 427 F CB -2.594 36.422 39.000 0.026 0.000 1.177 427 F HN 0.478 nan 8.300 nan 0.000 0.542 428 G N -1.260 107.663 108.800 0.205 0.000 2.464 428 G HA2 0.057 4.017 3.960 0.000 0.000 0.217 428 G HA3 0.057 4.017 3.960 0.000 0.000 0.217 428 G C 0.177 175.217 174.900 0.233 0.000 1.138 428 G CA 0.565 45.764 45.100 0.166 0.000 0.793 428 G HN 0.333 nan 8.290 nan 0.000 0.539 429 F N 0.739 120.759 119.950 0.117 0.000 2.449 429 F HA 0.700 5.227 4.527 0.000 0.000 0.342 429 F C -1.405 174.491 175.800 0.160 0.000 1.127 429 F CA -1.794 56.278 58.000 0.120 0.000 0.975 429 F CB 1.730 40.789 39.000 0.099 0.000 1.146 429 F HN -0.225 nan 8.300 nan 0.000 0.444 430 L N 5.690 126.598 121.223 -0.525 0.000 2.325 430 L HA 0.662 5.002 4.340 0.000 0.000 0.281 430 L C -0.185 176.409 176.870 -0.460 0.000 1.004 430 L CA -0.121 54.527 54.840 -0.319 0.000 0.823 430 L CB 1.581 43.581 42.059 -0.098 0.000 1.236 430 L HN 0.786 nan 8.230 nan 0.000 0.415 431 T N 1.125 115.499 114.554 -0.299 0.000 2.754 431 T HA 0.443 4.793 4.350 0.000 0.000 0.296 431 T C -1.118 173.370 174.700 -0.353 0.000 1.205 431 T CA -0.438 61.517 62.100 -0.242 0.000 1.009 431 T CB 1.676 70.366 68.868 -0.297 0.000 1.368 431 T HN 0.386 nan 8.240 nan 0.000 0.509 432 S N 0.924 116.170 115.700 -0.757 0.000 2.404 432 S HA 0.597 5.067 4.470 0.000 0.000 0.309 432 S C 0.964 175.429 174.600 -0.226 0.000 1.076 432 S CA -0.019 57.799 58.200 -0.636 0.000 1.095 432 S CB 0.160 62.782 63.200 -0.964 0.000 0.972 432 S HN 0.792 nan 8.310 nan 0.000 0.484 433 A N 4.625 127.391 122.820 -0.091 0.000 1.943 433 A HA 0.289 4.609 4.320 0.000 0.000 0.213 433 A C 1.964 179.500 177.584 -0.079 0.000 1.181 433 A CA 1.052 53.078 52.037 -0.017 0.000 0.653 433 A CB -1.017 17.907 19.000 -0.127 0.000 0.833 433 A HN 0.845 nan 8.150 nan 0.000 0.451 434 G N -1.413 107.327 108.800 -0.100 0.000 2.395 434 G HA2 -0.153 3.807 3.960 0.000 0.000 0.214 434 G HA3 -0.153 3.807 3.960 0.000 0.000 0.214 434 G C 1.670 176.525 174.900 -0.075 0.000 1.177 434 G CA 1.334 46.377 45.100 -0.096 0.000 0.794 434 G HN 0.550 nan 8.290 nan 0.000 0.532 435 C N -0.354 118.906 119.300 -0.067 0.000 2.487 435 C HA 0.409 4.869 4.460 0.000 0.000 0.311 435 C C 1.659 176.623 174.990 -0.044 0.000 1.367 435 C CA 1.149 60.143 59.018 -0.040 0.000 1.865 435 C CB -0.472 27.269 27.740 0.001 0.000 2.277 435 C HN 0.468 nan 8.230 nan 0.000 0.521 436 S N 1.616 117.269 115.700 -0.080 0.000 3.628 436 S HA -0.163 4.307 4.470 0.000 0.000 0.373 436 S C 0.089 174.682 174.600 -0.013 0.000 0.968 436 S CA 0.723 58.877 58.200 -0.076 0.000 1.215 436 S CB -1.818 61.358 63.200 -0.039 0.000 0.912 436 S HN 0.893 nan 8.310 nan 0.000 0.495 437 S N 2.111 117.851 115.700 0.066 0.000 2.531 437 S HA 0.514 4.984 4.470 0.000 0.000 0.279 437 S C 0.617 175.388 174.600 0.286 0.000 1.305 437 S CA -0.789 57.483 58.200 0.120 0.000 1.058 437 S CB -0.006 63.303 63.200 0.182 0.000 0.899 437 S HN 0.535 nan 8.310 nan 0.000 0.493 438 F N 3.347 123.319 119.950 0.037 0.000 2.545 438 F HA 0.537 5.064 4.527 0.000 0.000 0.348 438 F C 1.259 177.111 175.800 0.086 0.000 1.163 438 F CA -0.948 57.108 58.000 0.094 0.000 1.331 438 F CB -1.136 37.919 39.000 0.091 0.000 1.138 438 F HN 0.850 nan 8.300 nan 0.000 0.602 439 G N 2.116 111.085 108.800 0.281 0.000 2.175 439 G HA2 -0.385 3.575 3.960 0.000 0.000 0.244 439 G HA3 -0.385 3.575 3.960 0.000 0.000 0.244 439 G C 0.630 175.823 174.900 0.488 0.000 0.982 439 G CA 0.309 45.548 45.100 0.231 0.000 0.641 439 G HN 1.026 nan 8.290 nan 0.000 0.527 440 Y N 1.763 122.291 120.300 0.381 0.000 2.421 440 Y HA 0.168 4.718 4.550 0.000 0.000 0.292 440 Y C 2.378 178.325 175.900 0.079 0.000 1.136 440 Y CA 2.325 60.565 58.100 0.232 0.000 1.255 440 Y CB -0.321 38.257 38.460 0.198 0.000 0.991 440 Y HN 0.224 nan 8.280 nan 0.000 0.552 441 G N 0.792 109.699 108.800 0.178 0.000 2.434 441 G HA2 -0.243 3.717 3.960 0.000 0.000 0.214 441 G HA3 -0.243 3.717 3.960 0.000 0.000 0.214 441 G C 1.706 176.583 174.900 -0.038 0.000 1.202 441 G CA 1.282 46.445 45.100 0.105 0.000 0.788 441 G HN 0.461 nan 8.290 nan 0.000 0.539 442 I N 1.958 122.524 120.570 -0.007 0.000 2.091 442 I HA -0.147 4.023 4.170 0.000 0.000 0.239 442 I C 0.090 176.117 176.117 -0.150 0.000 1.061 442 I CA 1.502 62.776 61.300 -0.043 0.000 1.317 442 I CB -1.008 36.956 38.000 -0.060 0.000 1.031 442 I HN 0.188 nan 8.210 nan 0.000 0.401 443 P HA -0.179 nan 4.420 nan 0.000 0.216 443 P C 1.334 178.381 177.300 -0.422 0.000 1.150 443 P CA 2.053 64.945 63.100 -0.347 0.000 0.837 443 P CB -0.070 31.340 31.700 -0.482 0.000 0.786 444 A N 0.365 122.849 122.820 -0.559 0.000 1.930 444 A HA 0.021 4.341 4.320 0.000 0.000 0.217 444 A C 2.447 179.859 177.584 -0.287 0.000 1.175 444 A CA 1.855 53.548 52.037 -0.574 0.000 0.627 444 A CB -1.402 17.019 19.000 -0.965 0.000 0.815 444 A HN 0.222 nan 8.150 nan 0.000 0.443 445 A N -0.095 122.611 122.820 -0.190 0.000 1.930 445 A HA 0.006 4.326 4.320 0.000 0.000 0.217 445 A C 2.069 179.615 177.584 -0.064 0.000 1.175 445 A CA 1.312 53.306 52.037 -0.072 0.000 0.627 445 A CB -0.520 18.479 19.000 -0.002 0.000 0.815 445 A HN 0.485 nan 8.150 nan 0.000 0.443 446 I N -0.344 120.167 120.570 -0.098 0.000 2.202 446 I HA -0.185 3.985 4.170 0.000 0.000 0.242 446 I C 2.713 178.786 176.117 -0.074 0.000 1.091 446 I CA 1.166 62.429 61.300 -0.062 0.000 1.368 446 I CB -0.617 37.343 38.000 -0.067 0.000 1.058 446 I HN 0.388 nan 8.210 nan 0.000 0.410 447 G N 0.422 109.115 108.800 -0.178 0.000 2.418 447 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 447 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 447 G C 1.840 176.682 174.900 -0.097 0.000 1.158 447 G CA 0.838 45.828 45.100 -0.185 0.000 0.771 447 G HN 0.490 nan 8.290 nan 0.000 0.545 448 A N 0.064 122.828 122.820 -0.094 0.000 1.897 448 A HA -0.008 4.312 4.320 0.000 0.000 0.215 448 A C 2.297 179.874 177.584 -0.011 0.000 1.181 448 A CA 2.113 54.121 52.037 -0.050 0.000 0.620 448 A CB -0.388 18.585 19.000 -0.045 0.000 0.821 448 A HN 0.395 nan 8.150 nan 0.000 0.443 449 Q N -0.484 119.314 119.800 -0.003 0.000 2.167 449 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 449 Q C 1.909 177.924 176.000 0.024 0.000 0.970 449 Q CA 1.882 57.697 55.803 0.020 0.000 0.855 449 Q CB -0.394 28.363 28.738 0.033 0.000 0.911 449 Q HN 0.688 nan 8.270 nan 0.000 0.438 450 M N -1.193 118.424 119.600 0.028 0.000 2.288 450 M HA 0.023 4.503 4.480 0.000 0.000 0.266 450 M C 1.946 178.267 176.300 0.035 0.000 1.072 450 M CA 1.168 56.494 55.300 0.043 0.000 1.132 450 M CB -0.048 32.605 32.600 0.087 0.000 1.386 450 M HN 0.287 nan 8.290 nan 0.000 0.432 451 A N 0.370 123.204 122.820 0.023 0.000 2.067 451 A HA 0.021 4.341 4.320 0.000 0.000 0.217 451 A C 1.105 178.704 177.584 0.025 0.000 1.156 451 A CA 0.885 52.935 52.037 0.022 0.000 0.683 451 A CB -0.078 18.927 19.000 0.007 0.000 0.808 451 A HN 0.415 nan 8.150 nan 0.000 0.455 452 R N -0.646 119.868 120.500 0.023 0.000 2.644 452 R HA 0.197 4.537 4.340 0.000 0.000 0.271 452 R C -2.314 173.999 176.300 0.022 0.000 1.687 452 R CA -1.353 54.762 56.100 0.024 0.000 1.655 452 R CB 1.179 31.494 30.300 0.024 0.000 1.285 452 R HN 0.206 nan 8.270 nan 0.000 0.643 453 P HA -0.114 nan 4.420 nan 0.000 0.221 453 P C 0.021 177.335 177.300 0.023 0.000 1.150 453 P CA 1.146 64.260 63.100 0.023 0.000 0.800 453 P CB 0.403 32.115 31.700 0.021 0.000 0.787 454 D N -0.843 119.568 120.400 0.020 0.000 2.342 454 D HA 0.088 4.728 4.640 0.000 0.000 0.221 454 D C 0.589 176.897 176.300 0.014 0.000 1.101 454 D CA 0.303 54.314 54.000 0.018 0.000 0.837 454 D CB 0.338 41.147 40.800 0.016 0.000 0.938 454 D HN 0.365 nan 8.370 nan 0.000 0.508 455 Q N 0.857 120.664 119.800 0.012 0.000 2.306 455 Q HA 0.411 4.751 4.340 0.000 0.000 0.265 455 Q C -2.531 173.466 176.000 -0.005 0.000 1.022 455 Q CA -1.986 53.816 55.803 -0.001 0.000 0.853 455 Q CB 2.029 30.765 28.738 -0.003 0.000 1.327 455 Q HN -0.116 nan 8.270 nan 0.000 0.449 456 P HA 0.078 nan 4.420 nan 0.000 0.272 456 P C -0.992 176.252 177.300 -0.094 0.000 1.223 456 P CA -0.052 63.019 63.100 -0.049 0.000 0.784 456 P CB 0.661 32.272 31.700 -0.150 0.000 0.923 457 T N 2.913 117.476 114.554 0.015 0.000 3.066 457 T HA 0.478 4.828 4.350 0.000 0.000 0.318 457 T C -0.926 173.955 174.700 0.301 0.000 0.979 457 T CA -0.188 61.953 62.100 0.068 0.000 1.025 457 T CB -0.084 68.831 68.868 0.078 0.000 1.002 457 T HN 0.028 nan 8.240 nan 0.000 0.453 458 F N 2.459 122.449 119.950 0.067 0.000 2.483 458 F HA 0.837 5.364 4.527 -0.000 0.000 0.329 458 F C -0.103 175.741 175.800 0.074 0.000 1.064 458 F CA -2.168 55.875 58.000 0.071 0.000 0.986 458 F CB 1.495 40.543 39.000 0.081 0.000 1.218 458 F HN 0.319 nan 8.300 nan 0.000 0.484 459 L N 3.680 125.059 121.223 0.261 0.000 2.436 459 L HA 0.664 5.004 4.340 0.000 0.000 0.268 459 L C -1.537 175.404 176.870 0.118 0.000 0.974 459 L CA -0.462 54.482 54.840 0.173 0.000 0.826 459 L CB 1.769 43.906 42.059 0.130 0.000 1.291 459 L HN 0.594 nan 8.230 nan 0.000 0.406 460 I N 4.467 125.134 120.570 0.162 0.000 2.441 460 I HA 0.912 5.082 4.170 0.000 0.000 0.295 460 I C -0.873 175.301 176.117 0.095 0.000 0.994 460 I CA -0.278 61.065 61.300 0.072 0.000 1.144 460 I CB 1.623 39.709 38.000 0.144 0.000 1.314 460 I HN 0.937 nan 8.210 nan 0.000 0.445 461 A N 4.750 127.432 122.820 -0.230 0.000 2.539 461 A HA 0.804 5.124 4.320 0.000 0.000 0.296 461 A C -0.512 176.606 177.584 -0.776 0.000 1.073 461 A CA -0.349 51.543 52.037 -0.242 0.000 0.700 461 A CB 1.318 20.393 19.000 0.124 0.000 1.296 461 A HN 0.843 nan 8.150 nan 0.000 0.405 462 G N -0.382 107.970 108.800 -0.747 0.000 2.547 462 G HA2 0.436 4.396 3.960 0.000 0.000 0.291 462 G HA3 0.436 4.396 3.960 0.000 0.000 0.291 462 G C 0.449 175.226 174.900 -0.204 0.000 1.211 462 G CA 0.351 45.155 45.100 -0.495 0.000 0.950 462 G HN 0.812 nan 8.290 nan 0.000 0.504 463 D N -0.367 119.944 120.400 -0.148 0.000 2.144 463 D HA -0.100 4.540 4.640 0.000 0.000 0.199 463 D C 2.150 178.536 176.300 0.143 0.000 0.984 463 D CA 1.315 55.254 54.000 -0.102 0.000 0.834 463 D CB -0.801 40.075 40.800 0.126 0.000 0.955 463 D HN 0.463 nan 8.370 nan 0.000 0.465 464 G N 1.007 109.983 108.800 0.293 0.000 2.511 464 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 464 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 464 G C 1.773 176.750 174.900 0.128 0.000 1.218 464 G CA 1.359 46.690 45.100 0.385 0.000 0.788 464 G HN 0.480 nan 8.290 nan 0.000 0.560 465 G N -0.215 108.705 108.800 0.199 0.000 2.403 465 G HA2 -0.062 3.898 3.960 0.000 0.000 0.216 465 G HA3 -0.062 3.898 3.960 0.000 0.000 0.216 465 G C 1.635 176.500 174.900 -0.060 0.000 1.154 465 G CA 0.749 45.862 45.100 0.022 0.000 0.784 465 G HN 0.322 nan 8.290 nan 0.000 0.538 466 F N 1.011 120.910 119.950 -0.086 0.000 2.095 466 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 466 F C 2.422 178.205 175.800 -0.029 0.000 1.104 466 F CA 1.866 59.801 58.000 -0.109 0.000 1.232 466 F CB -0.199 38.632 39.000 -0.281 0.000 0.987 466 F HN 0.249 nan 8.300 nan 0.000 0.475 467 H N -0.271 118.771 119.070 -0.046 0.000 2.524 467 H HA -0.012 4.544 4.556 -0.000 0.000 0.282 467 H C 2.433 177.580 175.328 -0.301 0.000 1.016 467 H CA 1.002 57.002 56.048 -0.079 0.000 1.270 467 H CB -0.413 29.387 29.762 0.064 0.000 1.394 467 H HN 0.350 nan 8.280 nan 0.000 0.568 468 S N -0.960 114.470 115.700 -0.449 0.000 2.442 468 S HA -0.130 4.340 4.470 0.000 0.000 0.236 468 S C 1.426 175.723 174.600 -0.505 0.000 1.007 468 S CA 1.404 59.202 58.200 -0.669 0.000 0.965 468 S CB -0.009 62.326 63.200 -1.442 0.000 0.773 468 S HN 0.406 nan 8.310 nan 0.000 0.504 469 N N 0.085 118.537 118.700 -0.414 0.000 2.475 469 N HA 0.239 4.979 4.740 0.000 0.000 0.272 469 N C 0.753 176.049 175.510 -0.356 0.000 1.482 469 N CA 0.534 53.402 53.050 -0.303 0.000 0.863 469 N CB 0.576 38.996 38.487 -0.112 0.000 1.400 469 N HN 0.353 nan 8.380 nan 0.000 0.489 470 S N -1.902 113.550 115.700 -0.413 0.000 2.453 470 S HA -0.031 4.439 4.470 0.000 0.000 0.231 470 S C 1.734 176.206 174.600 -0.214 0.000 1.005 470 S CA 0.661 58.581 58.200 -0.467 0.000 0.949 470 S CB -0.136 62.979 63.200 -0.142 0.000 0.774 470 S HN 0.158 nan 8.310 nan 0.000 0.510 471 S N 2.078 117.692 115.700 -0.144 0.000 2.419 471 S HA -0.081 4.389 4.470 0.000 0.000 0.235 471 S C 1.165 175.743 174.600 -0.038 0.000 1.019 471 S CA 1.032 59.195 58.200 -0.063 0.000 0.982 471 S CB -0.425 62.746 63.200 -0.048 0.000 0.789 471 S HN 0.531 nan 8.310 nan 0.000 0.490 472 D N 1.053 121.417 120.400 -0.060 0.000 2.338 472 D HA 0.100 4.740 4.640 0.000 0.000 0.239 472 D C 1.414 177.704 176.300 -0.018 0.000 1.095 472 D CA 0.085 54.068 54.000 -0.027 0.000 0.888 472 D CB -0.018 40.764 40.800 -0.030 0.000 0.899 472 D HN 0.360 nan 8.370 nan 0.000 0.525 473 L N 0.617 121.832 121.223 -0.014 0.000 2.079 473 L HA -0.162 4.178 4.340 0.000 0.000 0.210 473 L C 2.531 179.424 176.870 0.038 0.000 1.081 473 L CA 1.076 55.939 54.840 0.040 0.000 0.752 473 L CB -0.159 41.948 42.059 0.080 0.000 0.896 473 L HN -0.000 nan 8.230 nan 0.000 0.433 474 E N -0.272 119.945 120.200 0.028 0.000 2.153 474 E HA -0.187 4.163 4.350 0.000 0.000 0.194 474 E C 1.923 178.540 176.600 0.029 0.000 0.988 474 E CA 1.688 58.105 56.400 0.029 0.000 0.811 474 E CB 0.080 29.795 29.700 0.026 0.000 0.746 474 E HN 0.442 nan 8.360 nan 0.000 0.466 475 T N 1.386 115.956 114.554 0.027 0.000 2.746 475 T HA -0.091 4.259 4.350 0.000 0.000 0.267 475 T C 2.048 176.767 174.700 0.031 0.000 1.039 475 T CA 1.219 63.336 62.100 0.029 0.000 1.142 475 T CB -0.138 68.746 68.868 0.027 0.000 0.866 475 T HN 0.183 nan 8.240 nan 0.000 0.444 476 I N 1.249 121.839 120.570 0.033 0.000 2.226 476 I HA -0.173 3.997 4.170 0.000 0.000 0.245 476 I C 2.916 179.059 176.117 0.044 0.000 1.100 476 I CA 1.037 62.362 61.300 0.041 0.000 1.374 476 I CB -0.467 37.564 38.000 0.052 0.000 1.057 476 I HN 0.198 nan 8.210 nan 0.000 0.413 477 A N 0.724 123.570 122.820 0.043 0.000 1.877 477 A HA -0.260 4.060 4.320 0.000 0.000 0.216 477 A C 2.423 180.028 177.584 0.034 0.000 1.186 477 A CA 1.864 53.926 52.037 0.042 0.000 0.620 477 A CB -0.654 18.370 19.000 0.039 0.000 0.822 477 A HN 0.328 nan 8.150 nan 0.000 0.443 478 R N -0.478 120.040 120.500 0.030 0.000 2.081 478 R HA -0.015 4.325 4.340 0.000 0.000 0.235 478 R C 1.648 177.961 176.300 0.020 0.000 1.131 478 R CA 1.480 57.594 56.100 0.024 0.000 0.960 478 R CB -0.318 29.996 30.300 0.023 0.000 0.856 478 R HN 0.530 nan 8.270 nan 0.000 0.436 479 L N 0.319 121.555 121.223 0.022 0.000 2.554 479 L HA 0.062 4.402 4.340 0.000 0.000 0.226 479 L C 0.340 177.224 176.870 0.023 0.000 1.137 479 L CA -0.083 54.768 54.840 0.017 0.000 0.863 479 L CB -0.381 41.689 42.059 0.019 0.000 0.985 479 L HN 0.294 nan 8.230 nan 0.000 0.451 480 N N 1.356 120.074 118.700 0.030 0.000 2.667 480 N HA -0.212 4.528 4.740 0.000 0.000 0.263 480 N C -0.865 174.669 175.510 0.039 0.000 1.038 480 N CA 0.467 53.539 53.050 0.036 0.000 0.749 480 N CB -0.995 37.510 38.487 0.030 0.000 0.892 480 N HN 0.268 nan 8.380 nan 0.000 0.546 481 L N 1.349 122.599 121.223 0.046 0.000 2.280 481 L HA 0.432 4.772 4.340 0.000 0.000 0.287 481 L C -1.590 175.319 176.870 0.066 0.000 1.023 481 L CA -1.802 53.069 54.840 0.050 0.000 0.819 481 L CB 1.540 43.627 42.059 0.047 0.000 1.212 481 L HN 0.096 nan 8.230 nan 0.000 0.420 482 P HA 0.149 nan 4.420 nan 0.000 0.225 482 P C -0.072 177.301 177.300 0.121 0.000 1.768 482 P CA 0.067 63.221 63.100 0.090 0.000 0.943 482 P CB -0.286 31.459 31.700 0.076 0.000 1.936 483 I N 0.377 121.019 120.570 0.121 0.000 2.519 483 I HA 0.132 4.302 4.170 0.000 0.000 0.287 483 I C 0.494 176.704 176.117 0.156 0.000 1.047 483 I CA -0.642 60.747 61.300 0.147 0.000 1.381 483 I CB 1.350 39.417 38.000 0.112 0.000 1.417 483 I HN -0.127 nan 8.210 nan 0.000 0.540 484 V N 4.738 124.760 119.914 0.180 0.000 2.417 484 V HA 0.394 4.514 4.120 0.000 0.000 0.291 484 V C -0.028 176.065 176.094 -0.001 0.000 1.024 484 V CA -0.495 61.842 62.300 0.061 0.000 0.861 484 V CB 1.431 33.156 31.823 -0.163 0.000 0.985 484 V HN 0.734 nan 8.190 nan 0.000 0.436 485 T N 4.135 118.659 114.554 -0.050 0.000 2.829 485 T HA 0.624 4.974 4.350 0.000 0.000 0.280 485 T C -0.453 174.117 174.700 -0.217 0.000 0.999 485 T CA -0.432 61.605 62.100 -0.105 0.000 0.983 485 T CB 1.826 70.631 68.868 -0.105 0.000 0.968 485 T HN 0.364 nan 8.240 nan 0.000 0.446 486 V N 3.612 123.387 119.914 -0.232 0.000 2.409 486 V HA 0.411 4.531 4.120 0.000 0.000 0.291 486 V C -0.265 175.577 176.094 -0.419 0.000 1.020 486 V CA -0.789 61.341 62.300 -0.282 0.000 0.848 486 V CB 1.757 33.467 31.823 -0.188 0.000 0.990 486 V HN 0.718 nan 8.190 nan 0.000 0.430 487 V N 5.978 125.570 119.914 -0.537 0.000 2.333 487 V HA 0.269 4.389 4.120 0.000 0.000 0.274 487 V C 0.139 175.924 176.094 -0.515 0.000 1.028 487 V CA -0.632 61.245 62.300 -0.705 0.000 0.851 487 V CB 1.706 32.883 31.823 -1.077 0.000 1.000 487 V HN 0.739 nan 8.190 nan 0.000 0.456 488 V N 2.493 122.106 119.914 -0.501 0.000 2.372 488 V HA 0.499 4.619 4.120 0.000 0.000 0.261 488 V C 0.085 175.987 176.094 -0.320 0.000 1.055 488 V CA -0.326 61.743 62.300 -0.384 0.000 0.930 488 V CB 0.784 32.378 31.823 -0.381 0.000 1.031 488 V HN 0.743 nan 8.190 nan 0.000 0.479 489 N N 4.976 123.540 118.700 -0.226 0.000 2.408 489 N HA 0.404 5.144 4.740 0.000 0.000 0.280 489 N C 0.190 175.667 175.510 -0.055 0.000 1.002 489 N CA -0.454 52.538 53.050 -0.095 0.000 0.907 489 N CB 1.618 40.104 38.487 -0.002 0.000 1.161 489 N HN 0.896 nan 8.380 nan 0.000 0.488 490 N N 1.902 120.618 118.700 0.026 0.000 2.240 490 N HA 0.070 4.810 4.740 0.000 0.000 0.240 490 N C -1.035 174.542 175.510 0.111 0.000 1.277 490 N CA -0.205 52.859 53.050 0.023 0.000 0.873 490 N CB 0.100 38.568 38.487 -0.031 0.000 1.222 490 N HN 0.351 nan 8.380 nan 0.000 0.507 491 D N 0.130 120.645 120.400 0.191 0.000 2.772 491 D HA -0.129 4.511 4.640 0.000 0.000 0.233 491 D C -0.952 175.503 176.300 0.258 0.000 1.143 491 D CA 1.371 55.531 54.000 0.268 0.000 0.700 491 D CB -1.686 39.208 40.800 0.157 0.000 1.076 491 D HN 0.497 nan 8.370 nan 0.000 0.430 492 T N -0.330 114.397 114.554 0.289 0.000 2.942 492 T HA 0.250 4.600 4.350 0.000 0.000 0.327 492 T C -0.167 174.667 174.700 0.223 0.000 1.360 492 T CA -0.894 61.259 62.100 0.090 0.000 1.055 492 T CB 1.330 70.269 68.868 0.119 0.000 1.261 492 T HN -0.174 nan 8.240 nan 0.000 0.485 493 N N 1.877 120.599 118.700 0.038 0.000 2.819 493 N HA 0.193 4.933 4.740 0.000 0.000 0.284 493 N C 1.449 177.061 175.510 0.170 0.000 1.196 493 N CA 0.022 53.186 53.050 0.191 0.000 1.114 493 N CB 0.629 39.193 38.487 0.128 0.000 1.437 493 N HN 0.876 nan 8.380 nan 0.000 0.518 494 G N 1.679 110.643 108.800 0.273 0.000 2.433 494 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 494 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 494 G C 1.448 176.374 174.900 0.043 0.000 1.186 494 G CA 0.076 45.356 45.100 0.300 0.000 0.779 494 G HN 0.509 nan 8.290 nan 0.000 0.543 495 L N 0.256 121.492 121.223 0.022 0.000 2.103 495 L HA -0.169 4.171 4.340 0.000 0.000 0.215 495 L C 2.567 179.389 176.870 -0.080 0.000 1.080 495 L CA 1.400 56.184 54.840 -0.092 0.000 0.764 495 L CB -0.210 41.906 42.059 0.094 0.000 0.890 495 L HN 0.173 nan 8.230 nan 0.000 0.435 496 I N -0.851 119.726 120.570 0.011 0.000 2.584 496 I HA -0.174 3.996 4.170 0.000 0.000 0.255 496 I C 2.348 178.453 176.117 -0.020 0.000 1.145 496 I CA 0.840 62.163 61.300 0.038 0.000 1.462 496 I CB -1.153 36.867 38.000 0.034 0.000 1.102 496 I HN 0.331 nan 8.210 nan 0.000 0.433 497 E N 1.386 121.564 120.200 -0.036 0.000 2.077 497 E HA -0.210 4.140 4.350 0.000 0.000 0.193 497 E C 2.416 178.863 176.600 -0.255 0.000 0.989 497 E CA 0.863 57.258 56.400 -0.008 0.000 0.800 497 E CB 0.068 29.886 29.700 0.197 0.000 0.746 497 E HN 0.354 nan 8.360 nan 0.000 0.452 498 L N 0.097 120.818 121.223 -0.837 0.000 1.978 498 L HA -0.272 4.068 4.340 0.000 0.000 0.218 498 L C 2.266 178.697 176.870 -0.732 0.000 1.075 498 L CA 1.853 55.857 54.840 -1.393 0.000 0.767 498 L CB -0.436 40.531 42.059 -1.820 0.000 0.890 498 L HN 0.318 nan 8.230 nan 0.000 0.434 499 Y N 0.189 120.220 120.300 -0.448 0.000 2.274 499 Y HA -0.281 4.269 4.550 -0.000 0.000 0.290 499 Y C 2.821 178.613 175.900 -0.179 0.000 1.145 499 Y CA 1.500 59.433 58.100 -0.279 0.000 1.203 499 Y CB -0.345 38.003 38.460 -0.187 0.000 0.984 499 Y HN 0.334 nan 8.280 nan 0.000 0.533 500 Q N -0.271 119.541 119.800 0.021 0.000 2.096 500 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 500 Q C 1.850 177.877 176.000 0.044 0.000 0.982 500 Q CA 1.412 57.277 55.803 0.104 0.000 0.850 500 Q CB -0.203 28.584 28.738 0.081 0.000 0.901 500 Q HN 0.512 nan 8.270 nan 0.000 0.422 501 N N 0.342 118.992 118.700 -0.083 0.000 2.270 501 N HA -0.045 4.695 4.740 0.000 0.000 0.181 501 N C 1.786 177.060 175.510 -0.394 0.000 1.016 501 N CA 0.785 53.747 53.050 -0.146 0.000 0.870 501 N CB 0.053 38.514 38.487 -0.042 0.000 0.979 501 N HN 0.261 nan 8.380 nan 0.000 0.431 502 I N 0.389 120.741 120.570 -0.362 0.000 2.252 502 I HA -0.144 4.026 4.170 0.000 0.000 0.245 502 I C 2.306 178.188 176.117 -0.393 0.000 1.102 502 I CA 1.316 62.390 61.300 -0.377 0.000 1.385 502 I CB -0.333 37.489 38.000 -0.296 0.000 1.064 502 I HN 0.114 nan 8.210 nan 0.000 0.414 503 G N -1.407 107.217 108.800 -0.294 0.000 2.603 503 G HA2 -0.083 3.877 3.960 0.000 0.000 0.214 503 G HA3 -0.083 3.877 3.960 0.000 0.000 0.214 503 G C 1.054 175.647 174.900 -0.512 0.000 1.140 503 G CA 0.315 45.188 45.100 -0.379 0.000 0.800 503 G HN 0.459 nan 8.290 nan 0.000 0.533 504 H N -2.101 116.920 119.070 -0.082 0.000 3.643 504 H HA 0.217 4.773 4.556 -0.000 0.000 0.256 504 H C 0.385 175.784 175.328 0.119 0.000 1.107 504 H CA -0.380 55.689 56.048 0.035 0.000 1.175 504 H CB 0.419 30.187 29.762 0.011 0.000 1.519 504 H HN 0.309 nan 8.280 nan 0.000 0.565 505 H N 0.931 120.069 119.070 0.113 0.000 2.713 505 H HA -0.165 4.391 4.556 0.000 0.000 0.311 505 H C -0.135 175.253 175.328 0.100 0.000 1.175 505 H CA 1.221 57.323 56.048 0.090 0.000 1.143 505 H CB -1.268 28.532 29.762 0.065 0.000 1.434 505 H HN 0.599 nan 8.280 nan 0.000 0.418 506 R N -2.051 118.543 120.500 0.156 0.000 2.752 506 R HA 0.631 4.971 4.340 0.000 0.000 0.277 506 R C -1.355 175.010 176.300 0.109 0.000 1.024 506 R CA -0.873 55.303 56.100 0.127 0.000 0.866 506 R CB 0.987 31.355 30.300 0.114 0.000 1.278 506 R HN -0.026 nan 8.270 nan 0.000 0.473 507 S N -0.398 115.363 115.700 0.102 0.000 2.651 507 S HA 0.386 4.856 4.470 0.000 0.000 0.291 507 S C -1.274 173.400 174.600 0.123 0.000 1.141 507 S CA -0.492 57.767 58.200 0.098 0.000 1.027 507 S CB 0.838 64.090 63.200 0.086 0.000 1.043 507 S HN 0.573 nan 8.310 nan 0.000 0.530 508 H N 0.986 120.047 119.070 -0.015 0.000 2.991 508 H HA 0.364 4.920 4.556 0.000 0.000 0.304 508 H C -0.079 175.232 175.328 -0.029 0.000 1.040 508 H CA -0.613 55.415 56.048 -0.032 0.000 1.410 508 H CB 0.456 30.181 29.762 -0.063 0.000 1.529 508 H HN 0.464 nan 8.280 nan 0.000 0.509 509 D N 4.736 124.955 120.400 -0.301 0.000 2.144 509 D HA -0.086 4.554 4.640 0.000 0.000 0.199 509 D C -0.818 175.318 176.300 -0.273 0.000 0.984 509 D CA 0.634 54.500 54.000 -0.224 0.000 0.834 509 D CB -0.706 39.998 40.800 -0.159 0.000 0.955 509 D HN 0.537 nan 8.370 nan 0.000 0.465 510 P HA -0.071 nan 4.420 nan 0.000 0.219 510 P C 0.794 178.011 177.300 -0.139 0.000 1.146 510 P CA 1.380 64.326 63.100 -0.257 0.000 0.808 510 P CB 0.034 31.559 31.700 -0.291 0.000 0.779 511 A N -1.222 121.531 122.820 -0.113 0.000 2.251 511 A HA 0.147 4.467 4.320 0.000 0.000 0.209 511 A C 1.594 179.132 177.584 -0.078 0.000 1.187 511 A CA 1.111 53.132 52.037 -0.027 0.000 0.823 511 A CB -0.521 18.515 19.000 0.060 0.000 0.846 511 A HN 0.211 nan 8.150 nan 0.000 0.486 512 V N -6.224 113.595 119.914 -0.158 0.000 3.356 512 V HA 0.355 4.475 4.120 0.000 0.000 0.274 512 V C -0.251 175.565 176.094 -0.464 0.000 1.631 512 V CA -0.363 61.793 62.300 -0.240 0.000 1.025 512 V CB -0.110 31.650 31.823 -0.105 0.000 0.840 512 V HN 0.046 nan 8.190 nan 0.000 0.419 513 K N 1.761 121.932 120.400 -0.382 0.000 2.185 513 K HA 0.649 4.969 4.320 0.000 0.000 0.269 513 K C -1.206 175.199 176.600 -0.326 0.000 0.987 513 K CA -0.302 55.787 56.287 -0.329 0.000 0.865 513 K CB 1.670 34.089 32.500 -0.136 0.000 1.090 513 K HN 0.306 nan 8.250 nan 0.000 0.450 514 F N -0.336 119.652 119.950 0.064 0.000 2.450 514 F HA 0.485 5.012 4.527 0.000 0.000 0.328 514 F C 1.506 177.326 175.800 0.035 0.000 1.068 514 F CA -0.739 57.296 58.000 0.059 0.000 1.007 514 F CB 0.518 39.573 39.000 0.091 0.000 1.251 514 F HN 0.549 nan 8.300 nan 0.000 0.492 515 G N -0.587 108.352 108.800 0.231 0.000 2.535 515 G HA2 0.463 4.423 3.960 0.000 0.000 0.282 515 G HA3 0.463 4.423 3.960 0.000 0.000 0.282 515 G C -0.178 174.770 174.900 0.080 0.000 1.350 515 G CA -0.549 44.618 45.100 0.113 0.000 1.039 515 G HN 0.884 nan 8.290 nan 0.000 0.509 516 G N -1.651 107.156 108.800 0.011 0.000 2.380 516 G HA2 0.461 4.421 3.960 0.000 0.000 0.262 516 G HA3 0.461 4.421 3.960 0.000 0.000 0.262 516 G C -0.760 174.051 174.900 -0.148 0.000 1.243 516 G CA -0.097 44.978 45.100 -0.041 0.000 0.865 516 G HN 0.606 nan 8.290 nan 0.000 0.513 517 V N 2.669 122.419 119.914 -0.273 0.000 2.531 517 V HA 0.256 4.376 4.120 0.000 0.000 0.301 517 V C -0.827 174.862 176.094 -0.675 0.000 1.034 517 V CA -0.921 61.010 62.300 -0.614 0.000 0.865 517 V CB 1.968 33.093 31.823 -1.165 0.000 0.995 517 V HN 0.769 nan 8.190 nan 0.000 0.424 518 D N 3.255 123.342 120.400 -0.521 0.000 2.456 518 D HA 0.323 4.963 4.640 0.000 0.000 0.219 518 D C 0.483 176.569 176.300 -0.357 0.000 1.126 518 D CA -0.344 53.464 54.000 -0.321 0.000 0.890 518 D CB 0.617 41.307 40.800 -0.184 0.000 1.025 518 D HN 0.347 nan 8.370 nan 0.000 0.511 519 F N 2.034 121.893 119.950 -0.151 0.000 2.502 519 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 519 F C 2.276 177.992 175.800 -0.141 0.000 1.111 519 F CA 0.138 58.049 58.000 -0.148 0.000 1.445 519 F CB -0.083 38.791 39.000 -0.210 0.000 1.081 519 F HN 0.280 nan 8.300 nan 0.000 0.558 520 V N -0.039 119.871 119.914 -0.007 0.000 2.270 520 V HA -0.290 3.830 4.120 0.000 0.000 0.245 520 V C 2.583 178.639 176.094 -0.063 0.000 1.043 520 V CA 1.932 64.191 62.300 -0.069 0.000 1.014 520 V CB -1.244 30.531 31.823 -0.080 0.000 0.645 520 V HN 0.339 nan 8.190 nan 0.000 0.447 521 A N -0.624 122.155 122.820 -0.069 0.000 1.969 521 A HA -0.140 4.180 4.320 0.000 0.000 0.218 521 A C 2.145 179.701 177.584 -0.047 0.000 1.169 521 A CA 1.720 53.721 52.037 -0.060 0.000 0.635 521 A CB -0.511 18.446 19.000 -0.072 0.000 0.810 521 A HN 0.440 nan 8.150 nan 0.000 0.445 522 L N -0.272 120.917 121.223 -0.056 0.000 2.017 522 L HA -0.110 4.230 4.340 0.000 0.000 0.208 522 L C 2.791 179.689 176.870 0.047 0.000 1.073 522 L CA 2.008 56.843 54.840 -0.009 0.000 0.745 522 L CB -0.536 41.516 42.059 -0.012 0.000 0.894 522 L HN 0.356 nan 8.230 nan 0.000 0.432 523 A N -1.040 121.813 122.820 0.055 0.000 1.902 523 A HA -0.268 4.052 4.320 0.000 0.000 0.217 523 A C 2.241 179.832 177.584 0.011 0.000 1.181 523 A CA 1.984 54.047 52.037 0.044 0.000 0.623 523 A CB -0.661 18.329 19.000 -0.016 0.000 0.818 523 A HN 0.535 nan 8.150 nan 0.000 0.443 524 E N -0.520 119.673 120.200 -0.012 0.000 2.106 524 E HA -0.000 4.350 4.350 0.000 0.000 0.192 524 E C 2.141 178.742 176.600 0.003 0.000 0.984 524 E CA 0.874 57.269 56.400 -0.008 0.000 0.806 524 E CB -0.259 29.430 29.700 -0.018 0.000 0.750 524 E HN 0.585 nan 8.360 nan 0.000 0.458 525 A N 0.884 123.704 122.820 0.001 0.000 2.076 525 A HA -0.177 4.143 4.320 0.000 0.000 0.220 525 A C 1.673 179.266 177.584 0.015 0.000 1.160 525 A CA 1.280 53.320 52.037 0.005 0.000 0.653 525 A CB -0.267 18.733 19.000 0.000 0.000 0.801 525 A HN 0.185 nan 8.150 nan 0.000 0.455 526 N N -1.303 117.410 118.700 0.023 0.000 2.236 526 N HA 0.156 4.896 4.740 0.000 0.000 0.196 526 N C 0.931 176.459 175.510 0.029 0.000 1.114 526 N CA 0.857 53.924 53.050 0.029 0.000 0.859 526 N CB 0.588 39.101 38.487 0.043 0.000 0.982 526 N HN 0.594 nan 8.380 nan 0.000 0.493 527 G N 0.633 109.448 108.800 0.026 0.000 2.132 527 G HA2 -0.225 3.735 3.960 0.000 0.000 0.228 527 G HA3 -0.225 3.735 3.960 0.000 0.000 0.228 527 G C -0.312 174.610 174.900 0.037 0.000 1.000 527 G CA -0.052 45.065 45.100 0.029 0.000 0.693 527 G HN 0.139 nan 8.290 nan 0.000 0.515 528 V N 1.175 121.108 119.914 0.032 0.000 2.407 528 V HA 0.404 4.524 4.120 0.000 0.000 0.291 528 V C -0.040 176.055 176.094 0.002 0.000 1.018 528 V CA -1.401 60.919 62.300 0.034 0.000 0.842 528 V CB 1.705 33.547 31.823 0.031 0.000 0.996 528 V HN 0.252 nan 8.190 nan 0.000 0.426 529 D N 3.376 123.807 120.400 0.052 0.000 2.382 529 D HA 0.583 5.223 4.640 0.000 0.000 0.240 529 D C 0.153 176.303 176.300 -0.251 0.000 1.146 529 D CA 0.550 54.577 54.000 0.045 0.000 0.897 529 D CB 1.913 42.864 40.800 0.252 0.000 1.197 529 D HN 0.826 nan 8.370 nan 0.000 0.432 530 A N 0.848 123.463 122.820 -0.342 0.000 2.612 530 A HA 0.648 4.968 4.320 0.000 0.000 0.293 530 A C -0.630 176.712 177.584 -0.404 0.000 1.075 530 A CA -0.584 51.051 52.037 -0.670 0.000 0.680 530 A CB 2.374 21.151 19.000 -0.372 0.000 1.279 530 A HN 0.420 nan 8.150 nan 0.000 0.411 531 T N -0.414 113.895 114.554 -0.409 0.000 2.843 531 T HA 0.618 4.968 4.350 0.000 0.000 0.302 531 T C -1.068 173.562 174.700 -0.117 0.000 1.232 531 T CA -0.559 61.466 62.100 -0.125 0.000 1.009 531 T CB 1.405 70.321 68.868 0.080 0.000 1.254 531 T HN 0.908 nan 8.240 nan 0.000 0.504 532 R N 1.321 121.784 120.500 -0.062 0.000 2.474 532 R HA 0.811 5.151 4.340 0.000 0.000 0.295 532 R C -1.314 174.961 176.300 -0.040 0.000 0.980 532 R CA -0.533 55.531 56.100 -0.061 0.000 0.934 532 R CB 1.158 31.428 30.300 -0.050 0.000 1.101 532 R HN 0.703 nan 8.270 nan 0.000 0.469 533 A N 2.015 124.803 122.820 -0.052 0.000 2.408 533 A HA 0.331 4.651 4.320 0.000 0.000 0.295 533 A C -0.063 177.491 177.584 -0.051 0.000 1.040 533 A CA -0.615 51.397 52.037 -0.040 0.000 0.707 533 A CB 1.654 20.631 19.000 -0.037 0.000 1.235 533 A HN 0.861 nan 8.150 nan 0.000 0.418 534 T N -1.602 112.929 114.554 -0.039 0.000 3.040 534 T HA 0.351 4.701 4.350 0.000 0.000 0.266 534 T C 0.155 174.837 174.700 -0.030 0.000 1.005 534 T CA 0.412 62.488 62.100 -0.040 0.000 0.906 534 T CB -0.748 68.102 68.868 -0.031 0.000 1.082 534 T HN 1.061 nan 8.240 nan 0.000 0.531 535 N N -0.471 118.214 118.700 -0.025 0.000 3.020 535 N HA 0.376 5.116 4.740 0.000 0.000 0.248 535 N C 0.356 175.858 175.510 -0.013 0.000 1.480 535 N CA -1.146 51.896 53.050 -0.013 0.000 0.874 535 N CB 0.888 39.373 38.487 -0.004 0.000 1.433 535 N HN -0.194 nan 8.380 nan 0.000 0.530 536 R N -0.201 120.297 120.500 -0.004 0.000 2.119 536 R HA -0.191 4.149 4.340 0.000 0.000 0.246 536 R C 1.270 177.569 176.300 -0.003 0.000 1.146 536 R CA 2.002 58.101 56.100 -0.002 0.000 0.962 536 R CB -0.223 30.082 30.300 0.007 0.000 0.863 536 R HN 0.755 nan 8.270 nan 0.000 0.442 537 E N 0.765 120.964 120.200 -0.003 0.000 2.028 537 E HA -0.182 4.168 4.350 0.000 0.000 0.190 537 E C 1.765 178.362 176.600 -0.005 0.000 0.984 537 E CA 1.109 57.508 56.400 -0.003 0.000 0.800 537 E CB 0.167 29.865 29.700 -0.004 0.000 0.758 537 E HN 0.356 nan 8.360 nan 0.000 0.448 538 E N 0.342 120.538 120.200 -0.007 0.000 2.077 538 E HA -0.201 4.149 4.350 0.000 0.000 0.193 538 E C 2.146 178.742 176.600 -0.006 0.000 0.989 538 E CA 0.766 57.162 56.400 -0.006 0.000 0.800 538 E CB -0.076 29.619 29.700 -0.009 0.000 0.746 538 E HN 0.169 nan 8.360 nan 0.000 0.452 539 L N 0.898 122.112 121.223 -0.015 0.000 2.083 539 L HA -0.155 4.185 4.340 0.000 0.000 0.209 539 L C 1.934 178.793 176.870 -0.018 0.000 1.083 539 L CA 1.512 56.338 54.840 -0.023 0.000 0.752 539 L CB -0.204 41.835 42.059 -0.034 0.000 0.899 539 L HN 0.122 nan 8.230 nan 0.000 0.433 540 L N -1.083 120.135 121.223 -0.009 0.000 2.109 540 L HA -0.084 4.256 4.340 0.000 0.000 0.207 540 L C 2.606 179.470 176.870 -0.011 0.000 1.086 540 L CA 0.952 55.791 54.840 -0.003 0.000 0.760 540 L CB -0.727 41.336 42.059 0.007 0.000 0.910 540 L HN 0.343 nan 8.230 nan 0.000 0.437 541 A N 0.020 122.833 122.820 -0.011 0.000 1.933 541 A HA -0.159 4.161 4.320 0.000 0.000 0.218 541 A C 2.503 180.068 177.584 -0.031 0.000 1.175 541 A CA 1.654 53.679 52.037 -0.019 0.000 0.628 541 A CB -0.607 18.386 19.000 -0.012 0.000 0.814 541 A HN 0.398 nan 8.150 nan 0.000 0.444 542 A N -0.218 122.601 122.820 -0.002 0.000 1.877 542 A HA -0.025 4.295 4.320 0.000 0.000 0.216 542 A C 2.180 179.757 177.584 -0.010 0.000 1.186 542 A CA 1.498 53.568 52.037 0.055 0.000 0.620 542 A CB -0.616 18.450 19.000 0.111 0.000 0.822 542 A HN 0.458 nan 8.150 nan 0.000 0.443 543 L N -1.066 120.120 121.223 -0.061 0.000 2.017 543 L HA -0.184 4.156 4.340 0.000 0.000 0.208 543 L C 2.865 179.657 176.870 -0.130 0.000 1.073 543 L CA 1.582 56.325 54.840 -0.162 0.000 0.745 543 L CB -0.456 41.503 42.059 -0.166 0.000 0.894 543 L HN 0.325 nan 8.230 nan 0.000 0.432 544 R N -0.135 120.326 120.500 -0.066 0.000 2.120 544 R HA -0.189 4.151 4.340 0.000 0.000 0.234 544 R C 2.303 178.541 176.300 -0.104 0.000 1.123 544 R CA 1.274 57.349 56.100 -0.041 0.000 0.975 544 R CB -0.247 30.040 30.300 -0.021 0.000 0.866 544 R HN 0.301 nan 8.270 nan 0.000 0.446 545 K N 0.350 120.640 120.400 -0.183 0.000 2.002 545 K HA -0.118 4.202 4.320 0.000 0.000 0.209 545 K C 2.158 178.494 176.600 -0.440 0.000 1.048 545 K CA 1.653 57.755 56.287 -0.308 0.000 0.930 545 K CB -0.413 31.850 32.500 -0.396 0.000 0.714 545 K HN 0.219 nan 8.250 nan 0.000 0.438 546 G N 0.593 109.043 108.800 -0.584 0.000 2.513 546 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 546 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 546 G C 1.579 176.396 174.900 -0.138 0.000 1.160 546 G CA 1.314 46.158 45.100 -0.427 0.000 0.767 546 G HN 0.496 nan 8.290 nan 0.000 0.571 547 A N 0.161 122.948 122.820 -0.054 0.000 1.969 547 A HA 0.075 4.395 4.320 0.000 0.000 0.218 547 A C 2.116 179.724 177.584 0.039 0.000 1.169 547 A CA 1.847 53.941 52.037 0.095 0.000 0.635 547 A CB -0.196 18.918 19.000 0.191 0.000 0.810 547 A HN 0.469 nan 8.150 nan 0.000 0.445 548 E N -1.281 118.902 120.200 -0.028 0.000 2.472 548 E HA 0.110 4.460 4.350 0.000 0.000 0.196 548 E C 1.433 178.004 176.600 -0.047 0.000 1.033 548 E CA -0.228 56.155 56.400 -0.029 0.000 0.886 548 E CB 0.125 29.800 29.700 -0.041 0.000 0.944 548 E HN 0.421 nan 8.360 nan 0.000 0.492 549 L N 0.262 121.436 121.223 -0.082 0.000 2.201 549 L HA 0.028 4.369 4.340 0.000 0.000 0.212 549 L C 1.421 178.278 176.870 -0.022 0.000 1.105 549 L CA 1.715 56.506 54.840 -0.082 0.000 0.775 549 L CB -0.455 41.518 42.059 -0.144 0.000 0.913 549 L HN 0.253 nan 8.230 nan 0.000 0.440 550 G N 0.056 108.858 108.800 0.003 0.000 2.258 550 G HA2 -0.334 3.626 3.960 0.000 0.000 0.274 550 G HA3 -0.334 3.626 3.960 0.000 0.000 0.274 550 G C 0.536 175.456 174.900 0.033 0.000 1.021 550 G CA 0.737 45.849 45.100 0.021 0.000 0.798 550 G HN 0.450 nan 8.290 nan 0.000 0.507 551 R N -0.622 119.905 120.500 0.045 0.000 2.710 551 R HA 0.415 4.755 4.340 0.000 0.000 0.270 551 R C -2.710 173.652 176.300 0.103 0.000 1.021 551 R CA -1.777 54.363 56.100 0.067 0.000 0.889 551 R CB 2.508 32.849 30.300 0.068 0.000 1.243 551 R HN 0.060 nan 8.270 nan 0.000 0.464 552 P HA 0.159 nan 4.420 nan 0.000 0.272 552 P C -1.101 176.333 177.300 0.224 0.000 1.230 552 P CA 0.156 63.341 63.100 0.140 0.000 0.788 552 P CB 0.639 32.400 31.700 0.102 0.000 0.949 553 F N 1.429 121.380 119.950 0.002 0.000 2.641 553 F HA 0.569 5.096 4.527 -0.000 0.000 0.308 553 F C -1.826 173.949 175.800 -0.043 0.000 1.105 553 F CA -1.010 56.977 58.000 -0.022 0.000 0.964 553 F CB 1.577 40.553 39.000 -0.041 0.000 1.294 553 F HN 0.198 nan 8.300 nan 0.000 0.442 554 L N 5.852 126.701 121.223 -0.624 0.000 2.381 554 L HA 0.785 5.125 4.340 0.000 0.000 0.268 554 L C -1.683 174.804 176.870 -0.638 0.000 0.997 554 L CA -0.518 54.040 54.840 -0.470 0.000 0.818 554 L CB 1.887 43.764 42.059 -0.303 0.000 1.310 554 L HN 0.590 nan 8.230 nan 0.000 0.416 555 I N 3.525 123.860 120.570 -0.393 0.000 2.447 555 I HA 0.360 4.530 4.170 0.000 0.000 0.287 555 I C -0.639 175.315 176.117 -0.272 0.000 1.023 555 I CA -0.402 60.723 61.300 -0.292 0.000 1.083 555 I CB 1.920 39.822 38.000 -0.163 0.000 1.245 555 I HN 0.584 nan 8.210 nan 0.000 0.434 556 E N 6.116 126.185 120.200 -0.217 0.000 2.200 556 E HA 0.501 4.851 4.350 0.000 0.000 0.283 556 E C -1.490 175.020 176.600 -0.151 0.000 1.015 556 E CA -0.517 55.769 56.400 -0.190 0.000 0.819 556 E CB 1.491 31.142 29.700 -0.081 0.000 1.081 556 E HN 0.368 nan 8.360 nan 0.000 0.397 557 V N 7.671 127.479 119.914 -0.177 0.000 2.407 557 V HA 0.352 4.472 4.120 0.000 0.000 0.291 557 V C -2.187 173.814 176.094 -0.155 0.000 1.018 557 V CA -1.833 60.377 62.300 -0.150 0.000 0.842 557 V CB 1.501 33.226 31.823 -0.163 0.000 0.996 557 V HN 0.718 nan 8.190 nan 0.000 0.426 558 P HA 0.373 nan 4.420 nan 0.000 0.275 558 P C -0.763 176.433 177.300 -0.174 0.000 1.228 558 P CA 0.068 63.095 63.100 -0.122 0.000 0.786 558 P CB 1.708 33.358 31.700 -0.083 0.000 0.927 559 V N -0.180 119.600 119.914 -0.225 0.000 3.206 559 V HA 0.695 4.815 4.120 0.000 0.000 0.305 559 V C -0.990 174.869 176.094 -0.392 0.000 1.257 559 V CA -0.900 61.198 62.300 -0.337 0.000 1.057 559 V CB 2.052 33.610 31.823 -0.441 0.000 1.075 559 V HN 0.535 nan 8.190 nan 0.000 0.443 560 N N -0.620 117.788 118.700 -0.486 0.000 2.774 560 N HA 0.727 5.467 4.740 0.000 0.000 0.264 560 N C -1.063 174.124 175.510 -0.539 0.000 1.415 560 N CA -0.494 52.269 53.050 -0.479 0.000 0.815 560 N CB 1.976 40.314 38.487 -0.248 0.000 1.514 560 N HN 0.741 nan 8.380 nan 0.000 0.523 561 Y N -0.260 120.010 120.300 -0.050 0.000 2.769 561 Y HA 0.311 4.861 4.550 -0.000 0.000 0.266 561 Y C -0.287 175.646 175.900 0.055 0.000 1.091 561 Y CA 0.100 58.260 58.100 0.100 0.000 1.272 561 Y CB 0.404 39.041 38.460 0.296 0.000 1.469 561 Y HN 0.423 nan 8.280 nan 0.000 0.475 562 D N 1.596 121.962 120.400 -0.056 0.000 3.133 562 D HA -0.170 4.470 4.640 0.000 0.000 0.239 562 D C -1.290 175.075 176.300 0.107 0.000 1.136 562 D CA 0.691 54.661 54.000 -0.051 0.000 0.898 562 D CB -1.178 39.668 40.800 0.076 0.000 0.959 562 D HN 0.163 nan 8.370 nan 0.000 0.415 563 F N -1.518 118.575 119.950 0.238 0.000 2.422 563 F HA 0.624 5.151 4.527 -0.000 0.000 0.333 563 F C 0.519 176.434 175.800 0.191 0.000 1.095 563 F CA -1.198 56.948 58.000 0.243 0.000 1.038 563 F CB 0.618 39.620 39.000 0.003 0.000 1.156 563 F HN 0.032 nan 8.300 nan 0.000 0.483 564 Q N 2.536 122.641 119.800 0.508 0.000 2.331 564 Q HA 0.496 4.836 4.340 0.000 0.000 0.267 564 Q C -2.565 173.663 176.000 0.380 0.000 1.006 564 Q CA -2.098 53.921 55.803 0.361 0.000 0.818 564 Q CB 0.981 29.869 28.738 0.252 0.000 1.276 564 Q HN 0.608 nan 8.270 nan 0.000 0.450 565 P HA -0.039 nan 4.420 nan 0.000 0.239 565 P C 1.057 178.482 177.300 0.208 0.000 1.184 565 P CA 1.253 64.459 63.100 0.176 0.000 0.760 565 P CB -0.031 31.654 31.700 -0.025 0.000 0.884 566 G N 0.124 109.044 108.800 0.200 0.000 2.603 566 G HA2 0.004 3.964 3.960 0.000 0.000 0.214 566 G HA3 0.004 3.964 3.960 0.000 0.000 0.214 566 G C 1.459 176.392 174.900 0.055 0.000 1.140 566 G CA 0.434 45.613 45.100 0.131 0.000 0.800 566 G HN 0.393 nan 8.290 nan 0.000 0.533 567 G N -0.215 108.583 108.800 -0.003 0.000 3.233 567 G HA2 0.288 4.248 3.960 0.000 0.000 0.227 567 G HA3 0.288 4.248 3.960 0.000 0.000 0.227 567 G C 0.159 174.792 174.900 -0.445 0.000 1.175 567 G CA -0.327 44.641 45.100 -0.219 0.000 0.781 567 G HN 0.271 nan 8.290 nan 0.000 0.542 568 F N 0.697 120.616 119.950 -0.052 0.000 2.855 568 F HA 0.317 4.844 4.527 -0.000 0.000 0.317 568 F C 1.960 177.674 175.800 -0.143 0.000 1.169 568 F CA -0.602 57.322 58.000 -0.127 0.000 1.299 568 F CB 0.938 39.814 39.000 -0.206 0.000 0.962 568 F HN 0.071 nan 8.300 nan 0.000 0.506 569 G N 0.192 108.988 108.800 -0.006 0.000 2.422 569 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 569 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 569 G C 1.872 176.744 174.900 -0.047 0.000 1.140 569 G CA 0.842 45.930 45.100 -0.021 0.000 0.775 569 G HN 0.428 nan 8.290 nan 0.000 0.545 570 A N 0.614 123.395 122.820 -0.065 0.000 2.125 570 A HA 0.130 4.450 4.320 0.000 0.000 0.219 570 A C 2.194 179.714 177.584 -0.106 0.000 1.156 570 A CA 0.747 52.736 52.037 -0.081 0.000 0.671 570 A CB -0.289 18.666 19.000 -0.075 0.000 0.794 570 A HN 0.384 nan 8.150 nan 0.000 0.459 571 L N 0.296 121.444 121.223 -0.126 0.000 2.633 571 L HA -0.027 4.313 4.340 0.000 0.000 0.235 571 L C 0.754 177.575 176.870 -0.081 0.000 1.163 571 L CA 0.346 55.092 54.840 -0.155 0.000 0.859 571 L CB -0.569 41.366 42.059 -0.207 0.000 0.973 571 L HN 0.441 nan 8.230 nan 0.000 0.451 572 S N 0.000 115.662 115.700 -0.063 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 63.179 63.200 -0.035 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517