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_F 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 0.000 177.305 177.300 0.008 0.000 1.155 12 P CA 0.000 63.054 63.100 -0.076 0.000 0.800 12 P CB 0.000 31.637 31.700 -0.104 0.000 0.726 13 T N -0.189 114.394 114.554 0.049 0.000 2.938 13 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 13 T C 1.306 176.056 174.700 0.083 0.000 1.028 13 T CA 0.268 62.400 62.100 0.053 0.000 1.005 13 T CB 1.572 70.454 68.868 0.022 0.000 1.157 13 T HN 0.267 nan 8.240 nan 0.000 0.550 14 A N 0.749 123.603 122.820 0.057 0.000 1.930 14 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 14 A C 2.462 180.071 177.584 0.041 0.000 1.175 14 A CA 2.040 54.109 52.037 0.054 0.000 0.627 14 A CB -1.208 17.820 19.000 0.045 0.000 0.815 14 A HN 0.923 nan 8.150 nan 0.000 0.443 15 A N -0.401 122.433 122.820 0.024 0.000 1.873 15 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 15 A C 2.041 179.612 177.584 -0.022 0.000 1.193 15 A CA 2.381 54.403 52.037 -0.026 0.000 0.629 15 A CB -1.031 17.910 19.000 -0.097 0.000 0.826 15 A HN 0.813 nan 8.150 nan 0.000 0.447 16 H N -0.287 118.751 119.070 -0.053 0.000 2.353 16 H HA 0.056 4.611 4.556 -0.000 0.000 0.300 16 H C 2.101 177.426 175.328 -0.005 0.000 1.090 16 H CA 2.071 58.097 56.048 -0.036 0.000 1.327 16 H CB -0.285 29.460 29.762 -0.028 0.000 1.383 16 H HN 0.389 nan 8.280 nan 0.000 0.508 17 A N 0.508 123.300 122.820 -0.046 0.000 1.969 17 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 17 A C 2.333 179.880 177.584 -0.062 0.000 1.169 17 A CA 1.337 53.333 52.037 -0.068 0.000 0.635 17 A CB -0.765 18.257 19.000 0.037 0.000 0.810 17 A HN 0.481 nan 8.150 nan 0.000 0.445 18 L N -0.041 121.169 121.223 -0.020 0.000 1.961 18 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 18 L C 2.267 179.149 176.870 0.020 0.000 1.072 18 L CA 1.843 56.700 54.840 0.027 0.000 0.749 18 L CB -0.854 41.257 42.059 0.086 0.000 0.889 18 L HN 0.379 nan 8.230 nan 0.000 0.432 19 L N -0.555 120.660 121.223 -0.013 0.000 2.079 19 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 19 L C 2.752 179.588 176.870 -0.056 0.000 1.081 19 L CA 1.632 56.468 54.840 -0.007 0.000 0.752 19 L CB -0.795 41.242 42.059 -0.036 0.000 0.896 19 L HN 0.541 nan 8.230 nan 0.000 0.433 20 S N -0.300 115.296 115.700 -0.173 0.000 2.402 20 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 20 S C 2.156 176.713 174.600 -0.071 0.000 1.021 20 S CA 0.999 59.087 58.200 -0.187 0.000 0.974 20 S CB -0.050 62.924 63.200 -0.376 0.000 0.800 20 S HN 0.255 nan 8.310 nan 0.000 0.484 21 R N 0.941 121.425 120.500 -0.027 0.000 2.119 21 R HA 0.301 4.641 4.340 -0.000 0.000 0.222 21 R C 2.184 178.565 176.300 0.136 0.000 1.088 21 R CA 1.125 57.253 56.100 0.048 0.000 0.984 21 R CB -0.978 29.365 30.300 0.072 0.000 0.884 21 R HN 0.500 nan 8.270 nan 0.000 0.447 22 L N -0.206 121.082 121.223 0.108 0.000 2.042 22 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 22 L C 2.900 179.832 176.870 0.103 0.000 1.076 22 L CA 2.142 57.057 54.840 0.125 0.000 0.749 22 L CB -0.681 41.444 42.059 0.110 0.000 0.893 22 L HN 0.302 nan 8.230 nan 0.000 0.432 23 R N -0.185 120.344 120.500 0.049 0.000 2.115 23 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 23 R C 1.731 178.035 176.300 0.007 0.000 1.111 23 R CA 1.799 57.915 56.100 0.026 0.000 0.976 23 R CB -1.361 28.941 30.300 0.004 0.000 0.870 23 R HN 0.367 nan 8.270 nan 0.000 0.445 24 D N -0.050 120.338 120.400 -0.020 0.000 2.178 24 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 24 D C 1.091 177.300 176.300 -0.151 0.000 0.980 24 D CA 0.993 54.932 54.000 -0.101 0.000 0.842 24 D CB -0.172 40.523 40.800 -0.174 0.000 0.948 24 D HN 0.626 nan 8.370 nan 0.000 0.472 25 H N -0.974 118.095 119.070 -0.002 0.000 2.526 25 H HA 0.262 4.818 4.556 -0.000 0.000 0.274 25 H C 1.409 176.741 175.328 0.006 0.000 0.999 25 H CA 0.821 56.869 56.048 0.001 0.000 1.157 25 H CB 0.678 30.440 29.762 -0.001 0.000 1.407 25 H HN 0.228 nan 8.280 nan 0.000 0.568 26 G N 0.570 109.419 108.800 0.081 0.000 2.179 26 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 26 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 26 G C 0.296 175.229 174.900 0.055 0.000 0.990 26 G CA 0.201 45.335 45.100 0.056 0.000 0.646 26 G HN 0.195 nan 8.290 nan 0.000 0.517 27 V N 0.984 120.939 119.914 0.069 0.000 2.572 27 V HA 0.554 4.673 4.120 -0.000 0.000 0.291 27 V C 1.498 177.612 176.094 0.033 0.000 1.039 27 V CA 1.234 63.569 62.300 0.058 0.000 1.055 27 V CB 1.373 33.241 31.823 0.076 0.000 0.969 27 V HN 0.730 nan 8.190 nan 0.000 0.482 28 G N 4.268 113.075 108.800 0.011 0.000 3.146 28 G HA2 0.213 4.172 3.960 -0.000 0.000 0.238 28 G HA3 0.213 4.172 3.960 -0.000 0.000 0.238 28 G C 0.360 175.219 174.900 -0.068 0.000 1.022 28 G CA -0.163 44.928 45.100 -0.015 0.000 0.880 28 G HN 0.498 nan 8.290 nan 0.000 0.533 29 K N 0.448 120.784 120.400 -0.106 0.000 2.435 29 K HA 0.678 4.998 4.320 -0.000 0.000 0.251 29 K C -1.614 174.821 176.600 -0.276 0.000 0.954 29 K CA -0.689 55.424 56.287 -0.290 0.000 0.820 29 K CB 3.070 35.266 32.500 -0.506 0.000 1.292 29 K HN -0.121 nan 8.250 nan 0.000 0.436 30 V N 3.078 122.731 119.914 -0.434 0.000 2.447 30 V HA 0.390 4.510 4.120 -0.000 0.000 0.292 30 V C -0.963 174.665 176.094 -0.776 0.000 1.021 30 V CA -0.836 61.261 62.300 -0.338 0.000 0.850 30 V CB 0.694 32.439 31.823 -0.131 0.000 1.005 30 V HN 0.533 nan 8.190 nan 0.000 0.426 31 F N 2.695 122.394 119.950 -0.417 0.000 2.379 31 F HA 0.903 5.430 4.527 -0.000 0.000 0.332 31 F C 1.015 176.532 175.800 -0.472 0.000 1.096 31 F CA 0.192 57.888 58.000 -0.506 0.000 1.105 31 F CB 1.800 40.637 39.000 -0.272 0.000 1.189 31 F HN 0.705 nan 8.300 nan 0.000 0.515 32 G N 0.188 108.798 108.800 -0.317 0.000 2.324 32 G HA2 0.437 4.397 3.960 -0.000 0.000 0.293 32 G HA3 0.437 4.397 3.960 -0.000 0.000 0.293 32 G C -2.463 172.601 174.900 0.274 0.000 1.297 32 G CA -0.848 44.294 45.100 0.070 0.000 0.853 32 G HN 0.506 nan 8.290 nan 0.000 0.535 33 V N 0.237 120.390 119.914 0.398 0.000 2.531 33 V HA 0.596 4.716 4.120 -0.000 0.000 0.301 33 V C 0.178 176.501 176.094 0.382 0.000 1.034 33 V CA -0.743 61.758 62.300 0.334 0.000 0.865 33 V CB 1.437 33.370 31.823 0.184 0.000 0.995 33 V HN 0.755 nan 8.190 nan 0.000 0.424 34 V N 4.068 124.100 119.914 0.196 0.000 2.509 34 V HA 0.753 4.873 4.120 -0.000 0.000 0.284 34 V C 0.912 177.096 176.094 0.150 0.000 1.047 34 V CA 0.297 62.678 62.300 0.135 0.000 0.952 34 V CB 1.201 32.900 31.823 -0.206 0.000 0.988 34 V HN 0.975 nan 8.190 nan 0.000 0.469 35 G N 3.336 112.264 108.800 0.214 0.000 2.990 35 G HA2 0.363 4.323 3.960 -0.000 0.000 0.208 35 G HA3 0.363 4.323 3.960 -0.000 0.000 0.208 35 G C 0.781 175.755 174.900 0.123 0.000 1.334 35 G CA -0.331 44.856 45.100 0.145 0.000 1.024 35 G HN 0.760 nan 8.290 nan 0.000 0.574 36 R N -0.133 120.429 120.500 0.103 0.000 2.303 36 R HA -0.069 4.271 4.340 -0.000 0.000 0.225 36 R C 1.620 177.971 176.300 0.084 0.000 1.114 36 R CA 1.935 58.084 56.100 0.082 0.000 1.007 36 R CB -0.257 30.091 30.300 0.080 0.000 0.861 36 R HN 0.555 nan 8.270 nan 0.000 0.471 37 E N 1.515 121.790 120.200 0.125 0.000 2.401 37 E HA -0.140 4.210 4.350 -0.000 0.000 0.199 37 E C 1.596 178.245 176.600 0.083 0.000 1.023 37 E CA 1.076 57.558 56.400 0.137 0.000 0.859 37 E CB -0.089 29.760 29.700 0.248 0.000 0.780 37 E HN 0.483 nan 8.360 nan 0.000 0.523 38 A N 1.952 124.805 122.820 0.054 0.000 1.997 38 A HA -0.124 4.196 4.320 -0.000 0.000 0.221 38 A C 2.520 180.081 177.584 -0.038 0.000 1.172 38 A CA 2.228 54.252 52.037 -0.022 0.000 0.645 38 A CB -0.798 18.191 19.000 -0.019 0.000 0.813 38 A HN 0.458 nan 8.150 nan 0.000 0.454 39 A N -1.276 121.539 122.820 -0.007 0.000 2.076 39 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 39 A C 2.236 179.807 177.584 -0.022 0.000 1.160 39 A CA 2.019 54.050 52.037 -0.010 0.000 0.653 39 A CB -0.405 18.601 19.000 0.009 0.000 0.801 39 A HN 0.454 nan 8.150 nan 0.000 0.455 40 S N -2.030 113.654 115.700 -0.026 0.000 2.506 40 S HA 0.398 4.868 4.470 -0.000 0.000 0.219 40 S C 0.283 174.819 174.600 -0.106 0.000 1.031 40 S CA -0.032 58.146 58.200 -0.037 0.000 0.911 40 S CB 0.183 63.386 63.200 0.005 0.000 0.812 40 S HN 0.503 nan 8.310 nan 0.000 0.497 41 I N 1.078 121.533 120.570 -0.192 0.000 2.548 41 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 41 I C -0.158 175.668 176.117 -0.485 0.000 1.103 41 I CA -0.466 60.576 61.300 -0.430 0.000 1.049 41 I CB 1.334 38.922 38.000 -0.687 0.000 1.232 41 I HN 0.041 nan 8.210 nan 0.000 0.429 42 L N 6.846 127.840 121.223 -0.381 0.000 2.202 42 L HA 0.184 4.524 4.340 -0.000 0.000 0.205 42 L C 0.375 177.156 176.870 -0.149 0.000 1.083 42 L CA 0.945 55.653 54.840 -0.221 0.000 0.790 42 L CB 0.056 42.042 42.059 -0.123 0.000 0.942 42 L HN 0.854 nan 8.230 nan 0.000 0.452 43 F N -0.530 119.291 119.950 -0.215 0.000 2.536 43 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 43 F C 0.766 176.512 175.800 -0.089 0.000 0.654 43 F CA 0.630 58.520 58.000 -0.184 0.000 1.632 43 F CB -1.821 37.016 39.000 -0.271 0.000 2.021 43 F HN 0.345 nan 8.300 nan 0.000 0.311 44 D N -0.715 119.700 120.400 0.026 0.000 2.431 44 D HA 0.159 4.799 4.640 -0.000 0.000 0.213 44 D C 1.284 177.595 176.300 0.019 0.000 1.130 44 D CA 0.377 54.393 54.000 0.026 0.000 0.834 44 D CB -0.008 40.798 40.800 0.010 0.000 0.985 44 D HN 0.284 nan 8.370 nan 0.000 0.504 45 E N -0.236 119.968 120.200 0.006 0.000 2.268 45 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 45 E C 0.043 176.723 176.600 0.132 0.000 0.995 45 E CA 0.593 57.029 56.400 0.060 0.000 0.836 45 E CB 0.409 30.154 29.700 0.075 0.000 0.763 45 E HN 0.133 nan 8.360 nan 0.000 0.491 46 V N 1.393 121.354 119.914 0.077 0.000 2.525 46 V HA 0.103 4.223 4.120 -0.000 0.000 0.299 46 V C -0.328 175.794 176.094 0.047 0.000 1.034 46 V CA -1.053 61.288 62.300 0.068 0.000 0.863 46 V CB 1.729 33.553 31.823 0.002 0.000 0.999 46 V HN 0.056 nan 8.190 nan 0.000 0.423 47 E N 3.325 123.552 120.200 0.045 0.000 2.480 47 E HA 0.311 4.661 4.350 -0.000 0.000 0.258 47 E C 1.152 177.765 176.600 0.022 0.000 0.984 47 E CA 1.190 57.608 56.400 0.030 0.000 0.930 47 E CB 0.406 30.122 29.700 0.028 0.000 0.936 47 E HN 1.117 nan 8.360 nan 0.000 0.466 48 G N 4.095 112.905 108.800 0.016 0.000 2.179 48 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 48 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 48 G C 0.035 174.938 174.900 0.007 0.000 0.990 48 G CA -0.029 45.076 45.100 0.009 0.000 0.646 48 G HN 0.549 nan 8.290 nan 0.000 0.517 49 I N 1.984 122.564 120.570 0.015 0.000 2.447 49 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 49 I C -1.227 174.900 176.117 0.017 0.000 1.023 49 I CA -0.874 60.434 61.300 0.015 0.000 1.083 49 I CB 1.668 39.696 38.000 0.047 0.000 1.245 49 I HN -0.018 nan 8.210 nan 0.000 0.434 50 D N 6.250 126.629 120.400 -0.035 0.000 2.252 50 D HA 0.282 4.922 4.640 -0.000 0.000 0.245 50 D C -0.758 175.481 176.300 -0.101 0.000 1.009 50 D CA -0.318 53.659 54.000 -0.039 0.000 0.870 50 D CB 2.378 43.135 40.800 -0.072 0.000 1.251 50 D HN 0.149 nan 8.370 nan 0.000 0.460 51 F N 1.191 121.001 119.950 -0.233 0.000 2.412 51 F HA 0.253 4.780 4.527 -0.000 0.000 0.348 51 F C -0.226 175.377 175.800 -0.328 0.000 1.102 51 F CA -0.394 57.370 58.000 -0.392 0.000 1.196 51 F CB 0.925 39.599 39.000 -0.543 0.000 1.144 51 F HN -0.014 nan 8.300 nan 0.000 0.541 52 V N 7.882 127.271 119.914 -0.875 0.000 2.313 52 V HA 0.227 4.346 4.120 -0.000 0.000 0.278 52 V C -0.372 175.431 176.094 -0.485 0.000 1.017 52 V CA -0.825 61.137 62.300 -0.563 0.000 0.823 52 V CB 0.872 32.278 31.823 -0.694 0.000 1.010 52 V HN 0.601 nan 8.190 nan 0.000 0.443 53 L N 6.181 127.343 121.223 -0.100 0.000 2.397 53 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 53 L C 0.631 177.523 176.870 0.037 0.000 1.148 53 L CA 1.005 55.895 54.840 0.083 0.000 0.825 53 L CB 1.466 43.635 42.059 0.182 0.000 1.117 53 L HN 0.886 nan 8.230 nan 0.000 0.456 54 T N 1.417 116.012 114.554 0.069 0.000 2.888 54 T HA 0.544 4.893 4.350 -0.000 0.000 0.288 54 T C 0.759 175.510 174.700 0.084 0.000 1.063 54 T CA -0.879 61.259 62.100 0.063 0.000 1.010 54 T CB 1.362 70.264 68.868 0.057 0.000 1.214 54 T HN 0.457 nan 8.240 nan 0.000 0.533 55 R N -0.185 120.364 120.500 0.081 0.000 2.276 55 R HA 0.256 4.596 4.340 -0.000 0.000 0.196 55 R C 0.400 176.799 176.300 0.165 0.000 0.961 55 R CA 0.404 56.559 56.100 0.092 0.000 1.024 55 R CB -0.682 29.647 30.300 0.049 0.000 0.940 55 R HN 0.793 nan 8.270 nan 0.000 0.480 56 H N -0.868 118.231 119.070 0.049 0.000 3.079 56 H HA 0.111 4.666 4.556 -0.000 0.000 0.356 56 H C -0.265 175.119 175.328 0.093 0.000 1.221 56 H CA -0.265 55.826 56.048 0.072 0.000 1.185 56 H CB 1.846 31.653 29.762 0.075 0.000 1.882 56 H HN -0.206 nan 8.280 nan 0.000 0.543 57 E N 2.504 122.571 120.200 -0.221 0.000 2.152 57 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 57 E C 1.573 178.204 176.600 0.051 0.000 0.983 57 E CA 1.013 57.369 56.400 -0.073 0.000 0.818 57 E CB -0.005 29.625 29.700 -0.116 0.000 0.758 57 E HN 0.454 nan 8.360 nan 0.000 0.467 58 F N 1.555 121.530 119.950 0.043 0.000 2.091 58 F HA -0.296 4.230 4.527 -0.000 0.000 0.299 58 F C 2.031 177.862 175.800 0.051 0.000 1.103 58 F CA 1.874 59.948 58.000 0.124 0.000 1.228 58 F CB -0.716 38.446 39.000 0.269 0.000 0.984 58 F HN -0.078 nan 8.300 nan 0.000 0.477 59 T N 0.847 115.368 114.554 -0.056 0.000 2.720 59 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 59 T C 2.220 176.749 174.700 -0.285 0.000 1.037 59 T CA 1.613 63.564 62.100 -0.249 0.000 1.144 59 T CB -0.930 67.915 68.868 -0.038 0.000 0.864 59 T HN 0.433 nan 8.240 nan 0.000 0.444 60 A N 1.329 124.069 122.820 -0.134 0.000 1.883 60 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 60 A C 2.641 180.092 177.584 -0.221 0.000 1.186 60 A CA 1.975 53.947 52.037 -0.110 0.000 0.624 60 A CB -1.373 17.642 19.000 0.026 0.000 0.822 60 A HN 0.525 nan 8.150 nan 0.000 0.444 61 G N -0.979 107.709 108.800 -0.187 0.000 2.422 61 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 61 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 61 G C 1.458 176.187 174.900 -0.286 0.000 1.140 61 G CA 1.205 46.200 45.100 -0.175 0.000 0.775 61 G HN 0.331 nan 8.290 nan 0.000 0.545 62 V N 1.336 120.986 119.914 -0.440 0.000 2.346 62 V HA -0.016 4.104 4.120 -0.000 0.000 0.244 62 V C 3.292 179.084 176.094 -0.503 0.000 1.037 62 V CA 1.694 63.711 62.300 -0.472 0.000 1.029 62 V CB -0.727 30.672 31.823 -0.706 0.000 0.663 62 V HN 0.441 nan 8.190 nan 0.000 0.454 63 A N 0.374 122.825 122.820 -0.616 0.000 1.917 63 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 63 A C 2.412 179.474 177.584 -0.869 0.000 1.182 63 A CA 2.562 54.127 52.037 -0.788 0.000 0.633 63 A CB -0.866 17.493 19.000 -1.067 0.000 0.819 63 A HN 0.590 nan 8.150 nan 0.000 0.448 64 A N -0.127 122.193 122.820 -0.835 0.000 1.898 64 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 64 A C 1.803 179.231 177.584 -0.260 0.000 1.181 64 A CA 2.082 53.837 52.037 -0.471 0.000 0.620 64 A CB -0.820 18.055 19.000 -0.208 0.000 0.819 64 A HN 0.670 nan 8.150 nan 0.000 0.442 65 D N -0.564 119.688 120.400 -0.245 0.000 2.116 65 D HA -0.155 4.484 4.640 -0.000 0.000 0.193 65 D C 1.665 177.853 176.300 -0.186 0.000 0.998 65 D CA 1.938 55.839 54.000 -0.166 0.000 0.836 65 D CB -0.078 40.646 40.800 -0.127 0.000 0.951 65 D HN 0.144 nan 8.370 nan 0.000 0.449 66 V N 0.089 119.855 119.914 -0.247 0.000 2.379 66 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 66 V C 2.393 178.362 176.094 -0.207 0.000 1.044 66 V CA 1.226 63.383 62.300 -0.238 0.000 1.036 66 V CB -0.502 31.154 31.823 -0.277 0.000 0.664 66 V HN 0.316 nan 8.190 nan 0.000 0.453 67 L N 0.941 122.048 121.223 -0.194 0.000 2.083 67 L HA -0.089 4.250 4.340 -0.000 0.000 0.209 67 L C 2.382 179.209 176.870 -0.072 0.000 1.083 67 L CA 2.298 57.077 54.840 -0.102 0.000 0.752 67 L CB -0.825 41.209 42.059 -0.041 0.000 0.899 67 L HN 0.237 nan 8.230 nan 0.000 0.433 68 A N -0.691 122.076 122.820 -0.088 0.000 1.968 68 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 68 A C 2.513 180.046 177.584 -0.085 0.000 1.169 68 A CA 1.482 53.483 52.037 -0.060 0.000 0.638 68 A CB -0.540 18.428 19.000 -0.054 0.000 0.812 68 A HN 0.491 nan 8.150 nan 0.000 0.446 69 R N -0.267 120.134 120.500 -0.164 0.000 2.066 69 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 69 R C 1.838 177.978 176.300 -0.266 0.000 1.131 69 R CA 1.690 57.622 56.100 -0.281 0.000 0.955 69 R CB -0.333 29.678 30.300 -0.482 0.000 0.851 69 R HN 0.521 nan 8.270 nan 0.000 0.432 70 I N 0.328 120.773 120.570 -0.209 0.000 2.286 70 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 70 I C 2.375 178.520 176.117 0.047 0.000 1.104 70 I CA 1.621 62.895 61.300 -0.043 0.000 1.397 70 I CB -0.357 37.627 38.000 -0.027 0.000 1.072 70 I HN 0.367 nan 8.210 nan 0.000 0.417 71 T N -1.678 112.885 114.554 0.015 0.000 2.951 71 T HA 0.070 4.419 4.350 -0.000 0.000 0.268 71 T C 1.734 176.462 174.700 0.047 0.000 1.073 71 T CA 0.724 62.846 62.100 0.036 0.000 1.134 71 T CB -0.254 68.631 68.868 0.028 0.000 0.884 71 T HN 0.541 nan 8.240 nan 0.000 0.479 72 G N 1.530 110.354 108.800 0.040 0.000 2.148 72 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 72 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 72 G C 0.077 174.997 174.900 0.033 0.000 0.981 72 G CA 0.131 45.259 45.100 0.047 0.000 0.670 72 G HN 0.734 nan 8.290 nan 0.000 0.528 73 R N -0.147 120.369 120.500 0.026 0.000 2.740 73 R HA 0.490 4.830 4.340 -0.000 0.000 0.282 73 R C -2.834 173.479 176.300 0.022 0.000 0.969 73 R CA -2.202 53.916 56.100 0.030 0.000 0.918 73 R CB 1.794 32.117 30.300 0.038 0.000 1.175 73 R HN -0.010 nan 8.270 nan 0.000 0.464 74 P HA -0.023 nan 4.420 nan 0.000 0.266 74 P C -0.789 176.530 177.300 0.031 0.000 1.195 74 P CA 0.196 63.302 63.100 0.010 0.000 0.768 74 P CB 0.710 32.403 31.700 -0.012 0.000 0.838 75 Q N 0.997 120.817 119.800 0.033 0.000 2.633 75 Q HA 0.852 5.191 4.340 -0.000 0.000 0.292 75 Q C -0.995 175.056 176.000 0.085 0.000 1.089 75 Q CA -0.957 54.889 55.803 0.072 0.000 0.811 75 Q CB 2.266 31.049 28.738 0.074 0.000 1.472 75 Q HN 0.411 nan 8.270 nan 0.000 0.464 76 A N 0.200 123.107 122.820 0.144 0.000 2.455 76 A HA 0.768 5.088 4.320 -0.000 0.000 0.300 76 A C -0.553 177.159 177.584 0.214 0.000 1.040 76 A CA -0.539 51.593 52.037 0.159 0.000 0.697 76 A CB 0.675 19.771 19.000 0.161 0.000 1.265 76 A HN 0.830 nan 8.150 nan 0.000 0.407 77 C N -0.134 119.283 119.300 0.195 0.000 3.044 77 C HA 0.984 5.444 4.460 -0.000 0.000 0.315 77 C C -0.989 174.179 174.990 0.296 0.000 1.320 77 C CA -0.951 58.194 59.018 0.211 0.000 1.582 77 C CB 1.487 29.297 27.740 0.116 0.000 2.039 77 C HN 1.084 nan 8.230 nan 0.000 0.466 78 W N 1.096 122.457 121.300 0.102 0.000 3.259 78 W HA 0.636 5.296 4.660 -0.000 0.000 0.331 78 W C -1.042 175.581 176.519 0.173 0.000 1.144 78 W CA -0.007 57.447 57.345 0.182 0.000 1.227 78 W CB 2.142 31.779 29.460 0.295 0.000 1.371 78 W HN 1.311 nan 8.180 nan 0.000 0.491 79 A N 2.579 125.321 122.820 -0.131 0.000 2.593 79 A HA 0.652 4.972 4.320 -0.000 0.000 0.290 79 A C -0.827 176.709 177.584 -0.080 0.000 1.126 79 A CA -0.429 51.630 52.037 0.037 0.000 0.695 79 A CB 1.894 20.902 19.000 0.014 0.000 1.290 79 A HN 0.429 nan 8.150 nan 0.000 0.414 80 T N 0.016 114.621 114.554 0.085 0.000 2.810 80 T HA 0.535 4.885 4.350 -0.000 0.000 0.277 80 T C 0.680 175.387 174.700 0.013 0.000 0.973 80 T CA -0.042 62.108 62.100 0.083 0.000 0.949 80 T CB -0.047 68.898 68.868 0.129 0.000 1.075 80 T HN 1.097 nan 8.240 nan 0.000 0.537 81 L N 0.276 121.508 121.223 0.015 0.000 2.468 81 L HA 0.579 4.919 4.340 -0.000 0.000 0.253 81 L C 1.426 178.285 176.870 -0.017 0.000 1.237 81 L CA -0.138 54.700 54.840 -0.004 0.000 0.823 81 L CB -1.021 41.034 42.059 -0.007 0.000 1.124 81 L HN 0.906 nan 8.230 nan 0.000 0.504 82 G N 0.929 109.713 108.800 -0.027 0.000 2.665 82 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.326 82 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.326 82 G C -1.046 173.833 174.900 -0.036 0.000 1.231 82 G CA 0.491 45.566 45.100 -0.042 0.000 0.992 82 G HN 0.806 nan 8.290 nan 0.000 0.549 83 P HA 0.020 nan 4.420 nan 0.000 0.226 83 P C 1.896 179.178 177.300 -0.031 0.000 1.153 83 P CA 2.218 65.301 63.100 -0.027 0.000 0.777 83 P CB -0.623 31.067 31.700 -0.018 0.000 0.794 84 G N 0.796 109.583 108.800 -0.022 0.000 2.433 84 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 84 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 84 G C 1.538 176.419 174.900 -0.033 0.000 1.186 84 G CA 0.949 46.038 45.100 -0.018 0.000 0.779 84 G HN 0.165 nan 8.290 nan 0.000 0.543 85 M N 2.016 121.597 119.600 -0.031 0.000 2.117 85 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 85 M C 2.716 178.966 176.300 -0.084 0.000 1.065 85 M CA 2.480 57.750 55.300 -0.051 0.000 1.114 85 M CB -1.145 31.435 32.600 -0.034 0.000 1.361 85 M HN 0.392 nan 8.290 nan 0.000 0.408 86 T N -0.939 113.576 114.554 -0.066 0.000 2.821 86 T HA -0.098 4.251 4.350 -0.000 0.000 0.267 86 T C 1.568 176.249 174.700 -0.032 0.000 1.046 86 T CA 1.589 63.655 62.100 -0.057 0.000 1.139 86 T CB -0.677 68.168 68.868 -0.039 0.000 0.871 86 T HN 0.328 nan 8.240 nan 0.000 0.454 87 N N 1.369 120.044 118.700 -0.041 0.000 2.120 87 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 87 N C 1.851 177.354 175.510 -0.011 0.000 1.024 87 N CA 0.751 53.767 53.050 -0.057 0.000 0.852 87 N CB -0.684 37.643 38.487 -0.266 0.000 1.003 87 N HN 0.301 nan 8.380 nan 0.000 0.424 88 L N 1.088 122.292 121.223 -0.031 0.000 2.191 88 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 88 L C 2.058 178.937 176.870 0.015 0.000 1.103 88 L CA 1.297 56.139 54.840 0.003 0.000 0.769 88 L CB -0.503 41.550 42.059 -0.010 0.000 0.908 88 L HN 0.285 nan 8.230 nan 0.000 0.438 89 S N -2.035 113.652 115.700 -0.023 0.000 2.423 89 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 89 S C 1.763 176.380 174.600 0.028 0.000 1.014 89 S CA 1.516 59.687 58.200 -0.049 0.000 0.965 89 S CB -0.549 62.593 63.200 -0.096 0.000 0.785 89 S HN 0.404 nan 8.310 nan 0.000 0.495 90 T N 1.649 116.265 114.554 0.103 0.000 2.788 90 T HA 0.038 4.387 4.350 -0.000 0.000 0.268 90 T C 1.919 176.795 174.700 0.293 0.000 1.044 90 T CA 1.407 63.623 62.100 0.192 0.000 1.139 90 T CB -0.983 68.013 68.868 0.212 0.000 0.867 90 T HN 0.661 nan 8.240 nan 0.000 0.454 91 G N 0.993 109.948 108.800 0.257 0.000 2.421 91 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.217 91 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.217 91 G C 1.500 176.424 174.900 0.040 0.000 1.143 91 G CA 0.185 45.344 45.100 0.097 0.000 0.784 91 G HN 0.488 nan 8.290 nan 0.000 0.541 92 I N 1.287 121.874 120.570 0.029 0.000 2.315 92 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 92 I C 3.216 179.340 176.117 0.012 0.000 1.117 92 I CA 0.913 62.215 61.300 0.003 0.000 1.404 92 I CB -0.134 37.841 38.000 -0.041 0.000 1.071 92 I HN 0.232 nan 8.210 nan 0.000 0.419 93 A N 0.382 123.219 122.820 0.028 0.000 1.930 93 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 93 A C 2.368 179.977 177.584 0.041 0.000 1.175 93 A CA 2.123 54.176 52.037 0.026 0.000 0.627 93 A CB -0.972 18.046 19.000 0.029 0.000 0.815 93 A HN 0.352 nan 8.150 nan 0.000 0.443 94 T N -0.383 114.219 114.554 0.080 0.000 2.684 94 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 94 T C 2.291 177.012 174.700 0.035 0.000 1.036 94 T CA 1.940 64.091 62.100 0.084 0.000 1.148 94 T CB -0.348 68.604 68.868 0.141 0.000 0.863 94 T HN 0.562 nan 8.240 nan 0.000 0.436 95 S N 0.081 115.791 115.700 0.017 0.000 2.368 95 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 95 S C 2.173 176.771 174.600 -0.002 0.000 1.029 95 S CA 1.068 59.267 58.200 -0.003 0.000 0.988 95 S CB -0.538 62.657 63.200 -0.009 0.000 0.838 95 S HN 0.272 nan 8.310 nan 0.000 0.462 96 V N 1.021 120.937 119.914 0.003 0.000 2.515 96 V HA 0.030 4.149 4.120 -0.000 0.000 0.250 96 V C 2.062 178.153 176.094 -0.005 0.000 1.058 96 V CA 1.707 64.008 62.300 0.002 0.000 1.064 96 V CB -0.267 31.558 31.823 0.003 0.000 0.675 96 V HN 0.555 nan 8.190 nan 0.000 0.461 97 L N -0.874 120.343 121.223 -0.010 0.000 2.298 97 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 97 L C 1.956 178.805 176.870 -0.035 0.000 1.084 97 L CA 0.975 55.801 54.840 -0.023 0.000 0.816 97 L CB -0.234 41.809 42.059 -0.027 0.000 0.967 97 L HN 0.272 nan 8.230 nan 0.000 0.460 98 D N -0.068 120.315 120.400 -0.029 0.000 2.333 98 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 98 D C -0.190 176.090 176.300 -0.032 0.000 0.984 98 D CA 0.216 54.193 54.000 -0.038 0.000 0.873 98 D CB 0.312 41.094 40.800 -0.030 0.000 0.935 98 D HN -0.051 nan 8.370 nan 0.000 0.521 99 R N 0.268 120.754 120.500 -0.024 0.000 2.388 99 R HA -0.081 4.259 4.340 -0.000 0.000 0.344 99 R C -0.793 175.490 176.300 -0.028 0.000 1.043 99 R CA 0.106 56.195 56.100 -0.019 0.000 0.776 99 R CB -3.077 27.216 30.300 -0.012 0.000 2.324 99 R HN 0.307 nan 8.270 nan 0.000 0.479 100 S N 0.298 115.981 115.700 -0.029 0.000 2.536 100 S HA 0.764 5.234 4.470 -0.000 0.000 0.271 100 S C -2.874 171.711 174.600 -0.026 0.000 1.134 100 S CA -1.640 56.536 58.200 -0.040 0.000 0.897 100 S CB 3.660 66.822 63.200 -0.063 0.000 1.094 100 S HN 0.181 nan 8.310 nan 0.000 0.473 101 P HA 0.351 nan 4.420 nan 0.000 0.266 101 P C -0.930 176.360 177.300 -0.015 0.000 1.586 101 P CA -0.269 62.820 63.100 -0.018 0.000 1.088 101 P CB 0.456 32.145 31.700 -0.019 0.000 1.584 102 V N 5.651 125.562 119.914 -0.005 0.000 2.495 102 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 102 V C 0.424 176.537 176.094 0.031 0.000 1.031 102 V CA -0.776 61.529 62.300 0.008 0.000 0.871 102 V CB 2.178 34.001 31.823 -0.001 0.000 0.988 102 V HN 0.313 nan 8.190 nan 0.000 0.432 103 I N 4.412 125.006 120.570 0.040 0.000 2.297 103 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 103 I C 0.570 176.744 176.117 0.095 0.000 1.033 103 I CA -0.190 61.141 61.300 0.052 0.000 1.253 103 I CB 0.909 38.926 38.000 0.028 0.000 1.396 103 I HN 0.672 nan 8.210 nan 0.000 0.476 104 A N 8.252 131.151 122.820 0.131 0.000 2.292 104 A HA 0.847 5.167 4.320 -0.000 0.000 0.319 104 A C -0.496 177.174 177.584 0.143 0.000 1.206 104 A CA -0.471 51.671 52.037 0.174 0.000 0.835 104 A CB 0.834 19.970 19.000 0.227 0.000 1.164 104 A HN 0.681 nan 8.150 nan 0.000 0.505 105 L N 1.811 123.045 121.223 0.019 0.000 2.385 105 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 105 L C 0.098 176.690 176.870 -0.463 0.000 0.990 105 L CA -0.432 54.243 54.840 -0.275 0.000 0.821 105 L CB 2.182 44.069 42.059 -0.287 0.000 1.279 105 L HN 0.790 nan 8.230 nan 0.000 0.412 106 A N 2.020 124.574 122.820 -0.443 0.000 2.422 106 A HA 0.901 5.221 4.320 -0.000 0.000 0.302 106 A C -0.308 177.053 177.584 -0.371 0.000 1.041 106 A CA -0.424 51.389 52.037 -0.373 0.000 0.708 106 A CB 1.614 20.654 19.000 0.067 0.000 1.257 106 A HN 0.779 nan 8.150 nan 0.000 0.414 107 A N 0.852 123.489 122.820 -0.305 0.000 2.386 107 A HA 0.580 4.900 4.320 -0.000 0.000 0.246 107 A C 0.183 177.731 177.584 -0.060 0.000 1.089 107 A CA 0.300 52.270 52.037 -0.112 0.000 0.790 107 A CB 0.384 19.411 19.000 0.045 0.000 1.042 107 A HN 1.133 nan 8.150 nan 0.000 0.497 108 Q N -0.397 119.377 119.800 -0.043 0.000 2.456 108 Q HA 0.522 4.861 4.340 -0.000 0.000 0.284 108 Q C -0.450 175.528 176.000 -0.036 0.000 1.061 108 Q CA -0.311 55.470 55.803 -0.037 0.000 0.799 108 Q CB 1.707 30.413 28.738 -0.054 0.000 1.445 108 Q HN 0.764 nan 8.270 nan 0.000 0.411 109 S N 1.600 117.277 115.700 -0.039 0.000 2.550 109 S HA 0.006 4.476 4.470 -0.000 0.000 0.285 109 S C -0.496 174.040 174.600 -0.108 0.000 1.326 109 S CA 0.004 58.173 58.200 -0.051 0.000 1.037 109 S CB 0.021 63.193 63.200 -0.047 0.000 0.838 109 S HN 0.549 nan 8.310 nan 0.000 0.519 110 E N 1.670 121.782 120.200 -0.146 0.000 2.502 110 E HA -0.004 4.346 4.350 -0.000 0.000 0.261 110 E C 1.397 177.760 176.600 -0.394 0.000 0.974 110 E CA 0.478 56.714 56.400 -0.274 0.000 0.936 110 E CB 0.361 29.836 29.700 -0.375 0.000 0.926 110 E HN 0.642 nan 8.360 nan 0.000 0.459 111 S N 3.301 118.813 115.700 -0.313 0.000 2.372 111 S HA -0.345 4.125 4.470 -0.000 0.000 0.227 111 S C 1.684 176.129 174.600 -0.258 0.000 1.044 111 S CA 2.006 60.070 58.200 -0.226 0.000 1.050 111 S CB -0.768 62.367 63.200 -0.109 0.000 0.901 111 S HN 0.800 nan 8.310 nan 0.000 0.447 112 H N -0.016 119.013 119.070 -0.068 0.000 2.545 112 H HA 0.333 4.889 4.556 -0.000 0.000 0.282 112 H C 1.001 176.262 175.328 -0.113 0.000 1.020 112 H CA 1.122 57.127 56.048 -0.071 0.000 1.243 112 H CB -0.523 29.235 29.762 -0.008 0.000 1.377 112 H HN 0.453 nan 8.280 nan 0.000 0.581 113 D N 0.117 120.348 120.400 -0.283 0.000 2.501 113 D HA 0.165 4.804 4.640 -0.000 0.000 0.224 113 D C -0.410 175.730 176.300 -0.267 0.000 1.202 113 D CA -0.296 53.640 54.000 -0.106 0.000 0.829 113 D CB -0.090 40.705 40.800 -0.007 0.000 1.023 113 D HN 0.369 nan 8.370 nan 0.000 0.499 114 I N 1.484 121.758 120.570 -0.492 0.000 2.329 114 I HA 0.141 4.311 4.170 -0.000 0.000 0.295 114 I C -0.599 175.147 176.117 -0.620 0.000 1.109 114 I CA 0.020 61.083 61.300 -0.396 0.000 1.297 114 I CB 0.019 37.852 38.000 -0.280 0.000 1.433 114 I HN -0.107 nan 8.210 nan 0.000 0.509 115 F N 7.281 127.233 119.950 0.004 0.000 2.691 115 F HA 0.381 4.907 4.527 -0.000 0.000 0.371 115 F C -2.276 173.527 175.800 0.005 0.000 1.159 115 F CA -2.667 55.338 58.000 0.009 0.000 1.174 115 F CB 0.778 39.788 39.000 0.018 0.000 1.419 115 F HN 0.246 nan 8.300 nan 0.000 0.514 116 P HA 0.031 nan 4.420 nan 0.000 0.262 116 P C 0.069 177.417 177.300 0.080 0.000 1.182 116 P CA 0.798 63.941 63.100 0.071 0.000 0.761 116 P CB 0.369 32.092 31.700 0.039 0.000 0.795 117 N N 1.028 119.762 118.700 0.056 0.000 2.878 117 N HA -0.165 4.575 4.740 -0.000 0.000 0.247 117 N C 0.163 175.706 175.510 0.055 0.000 1.021 117 N CA 1.293 54.369 53.050 0.044 0.000 0.873 117 N CB -1.487 37.019 38.487 0.032 0.000 1.128 117 N HN 0.510 nan 8.380 nan 0.000 0.571 118 D N -0.800 119.653 120.400 0.087 0.000 3.165 118 D HA 0.072 4.712 4.640 -0.000 0.000 0.264 118 D C 0.131 176.496 176.300 0.108 0.000 1.363 118 D CA 0.585 54.632 54.000 0.077 0.000 1.166 118 D CB -0.283 40.547 40.800 0.050 0.000 1.291 118 D HN 0.003 nan 8.370 nan 0.000 0.390 119 T N 1.443 116.105 114.554 0.179 0.000 2.933 119 T HA -0.084 4.266 4.350 -0.000 0.000 0.306 119 T C 0.271 175.061 174.700 0.150 0.000 1.045 119 T CA 0.421 62.636 62.100 0.192 0.000 1.143 119 T CB -0.041 68.966 68.868 0.232 0.000 1.003 119 T HN 0.126 nan 8.240 nan 0.000 0.540 120 H N 3.371 122.480 119.070 0.064 0.000 3.192 120 H HA -0.034 4.522 4.556 -0.000 0.000 0.295 120 H C 1.115 176.468 175.328 0.042 0.000 0.943 120 H CA 1.151 57.227 56.048 0.046 0.000 1.416 120 H CB -0.074 29.713 29.762 0.042 0.000 1.434 120 H HN 0.801 nan 8.280 nan 0.000 0.565 121 Q N 1.553 121.131 119.800 -0.370 0.000 2.416 121 Q HA -0.264 4.076 4.340 -0.000 0.000 0.235 121 Q C -0.551 175.379 176.000 -0.116 0.000 0.773 121 Q CA 1.034 56.650 55.803 -0.311 0.000 1.286 121 Q CB -1.713 26.772 28.738 -0.423 0.000 1.556 121 Q HN 0.644 nan 8.270 nan 0.000 0.650 122 C N 1.419 120.690 119.300 -0.048 0.000 2.265 122 C HA 0.657 5.117 4.460 -0.000 0.000 0.332 122 C C 0.228 175.216 174.990 -0.003 0.000 1.248 122 C CA -0.473 58.539 59.018 -0.010 0.000 1.727 122 C CB -0.366 27.391 27.740 0.029 0.000 2.348 122 C HN 0.328 nan 8.230 nan 0.000 0.519 123 L N 4.457 125.673 121.223 -0.011 0.000 2.319 123 L HA 0.442 4.782 4.340 -0.000 0.000 0.267 123 L C 0.057 176.924 176.870 -0.004 0.000 1.011 123 L CA -0.517 54.318 54.840 -0.008 0.000 0.818 123 L CB 1.290 43.336 42.059 -0.021 0.000 1.316 123 L HN 0.489 nan 8.230 nan 0.000 0.432 124 D N 0.452 120.849 120.400 -0.004 0.000 2.545 124 D HA 0.066 4.706 4.640 -0.000 0.000 0.227 124 D C 0.953 177.252 176.300 -0.002 0.000 1.150 124 D CA 0.161 54.160 54.000 -0.002 0.000 1.046 124 D CB 0.610 41.407 40.800 -0.004 0.000 1.098 124 D HN 0.463 nan 8.370 nan 0.000 0.502 125 S N 0.760 116.475 115.700 0.025 0.000 2.365 125 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 125 S C 2.159 176.790 174.600 0.051 0.000 1.039 125 S CA 0.915 59.139 58.200 0.042 0.000 1.033 125 S CB -0.021 63.306 63.200 0.212 0.000 0.887 125 S HN 0.429 nan 8.310 nan 0.000 0.447 126 V N 1.933 121.928 119.914 0.136 0.000 2.343 126 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 126 V C 2.664 178.766 176.094 0.013 0.000 1.051 126 V CA 1.647 64.022 62.300 0.126 0.000 1.036 126 V CB -1.230 30.638 31.823 0.075 0.000 0.654 126 V HN 0.567 nan 8.190 nan 0.000 0.451 127 A N -0.409 122.406 122.820 -0.008 0.000 1.972 127 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 127 A C 2.153 179.709 177.584 -0.047 0.000 1.169 127 A CA 1.703 53.725 52.037 -0.025 0.000 0.635 127 A CB -0.477 18.512 19.000 -0.019 0.000 0.810 127 A HN 0.533 nan 8.150 nan 0.000 0.446 128 I N -0.994 119.534 120.570 -0.070 0.000 2.333 128 I HA -0.125 4.044 4.170 -0.000 0.000 0.246 128 I C 2.018 178.047 176.117 -0.146 0.000 1.106 128 I CA 0.829 62.069 61.300 -0.101 0.000 1.411 128 I CB 0.044 37.977 38.000 -0.111 0.000 1.082 128 I HN 0.131 nan 8.210 nan 0.000 0.420 129 V N 0.482 120.262 119.914 -0.224 0.000 3.174 129 V HA 0.030 4.150 4.120 -0.000 0.000 0.254 129 V C 2.537 178.548 176.094 -0.139 0.000 1.120 129 V CA 1.108 63.231 62.300 -0.294 0.000 1.114 129 V CB -0.346 31.028 31.823 -0.749 0.000 0.756 129 V HN 0.386 nan 8.190 nan 0.000 0.467 130 A N 1.335 124.111 122.820 -0.074 0.000 1.892 130 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 130 A C 0.486 178.054 177.584 -0.026 0.000 1.188 130 A CA 2.265 54.284 52.037 -0.030 0.000 0.631 130 A CB -1.906 17.078 19.000 -0.026 0.000 0.822 130 A HN 0.555 nan 8.150 nan 0.000 0.447 131 P HA -0.066 nan 4.420 nan 0.000 0.230 131 P C 0.940 178.226 177.300 -0.023 0.000 1.158 131 P CA 1.282 64.367 63.100 -0.025 0.000 0.769 131 P CB -0.145 31.538 31.700 -0.030 0.000 0.807 132 M N -2.983 116.596 119.600 -0.034 0.000 2.692 132 M HA 0.403 4.883 4.480 -0.000 0.000 0.372 132 M C -0.360 175.932 176.300 -0.015 0.000 1.192 132 M CA -0.442 54.841 55.300 -0.028 0.000 0.928 132 M CB 0.581 33.155 32.600 -0.043 0.000 1.366 132 M HN -0.257 nan 8.290 nan 0.000 0.517 133 S N -1.380 114.323 115.700 0.005 0.000 2.596 133 S HA 0.569 5.039 4.470 -0.000 0.000 0.270 133 S C 0.150 174.787 174.600 0.062 0.000 1.155 133 S CA -0.959 57.264 58.200 0.039 0.000 0.827 133 S CB 1.640 64.876 63.200 0.060 0.000 1.130 133 S HN 0.166 nan 8.310 nan 0.000 0.467 134 K N -0.197 120.259 120.400 0.093 0.000 2.365 134 K HA 0.226 4.546 4.320 -0.000 0.000 0.197 134 K C -0.534 176.185 176.600 0.198 0.000 1.042 134 K CA 0.860 57.212 56.287 0.109 0.000 0.987 134 K CB -0.420 32.131 32.500 0.085 0.000 0.779 134 K HN 0.733 nan 8.250 nan 0.000 0.484 135 Y N -0.847 119.473 120.300 0.034 0.000 2.393 135 Y HA 0.393 4.943 4.550 -0.000 0.000 0.320 135 Y C -2.136 173.809 175.900 0.075 0.000 1.241 135 Y CA -1.048 57.073 58.100 0.035 0.000 1.122 135 Y CB 1.102 39.571 38.460 0.015 0.000 1.322 135 Y HN -0.067 nan 8.280 nan 0.000 0.441 136 A N 5.110 127.751 122.820 -0.299 0.000 2.408 136 A HA 0.853 5.173 4.320 -0.000 0.000 0.295 136 A C -2.104 175.275 177.584 -0.341 0.000 1.040 136 A CA -0.477 51.493 52.037 -0.112 0.000 0.707 136 A CB 1.649 20.685 19.000 0.060 0.000 1.235 136 A HN 1.219 nan 8.150 nan 0.000 0.418 137 V N 1.342 121.084 119.914 -0.286 0.000 3.147 137 V HA 0.601 4.721 4.120 -0.000 0.000 0.299 137 V C -1.315 174.646 176.094 -0.223 0.000 1.302 137 V CA -0.488 61.634 62.300 -0.297 0.000 1.015 137 V CB 2.158 33.737 31.823 -0.407 0.000 1.086 137 V HN 1.014 nan 8.190 nan 0.000 0.437 138 E N 3.109 123.214 120.200 -0.158 0.000 2.176 138 E HA 0.461 4.811 4.350 -0.000 0.000 0.267 138 E C -1.209 175.324 176.600 -0.112 0.000 0.893 138 E CA -0.895 55.420 56.400 -0.142 0.000 0.761 138 E CB 1.859 31.500 29.700 -0.099 0.000 1.133 138 E HN 0.653 nan 8.360 nan 0.000 0.409 139 L N 4.206 125.361 121.223 -0.113 0.000 2.499 139 L HA -0.018 4.322 4.340 -0.000 0.000 0.273 139 L C 0.397 177.231 176.870 -0.059 0.000 1.195 139 L CA 1.252 56.046 54.840 -0.077 0.000 0.882 139 L CB 0.522 42.538 42.059 -0.070 0.000 1.133 139 L HN 0.738 nan 8.230 nan 0.000 0.483 140 Q N 3.723 123.498 119.800 -0.042 0.000 2.404 140 Q HA 0.297 4.637 4.340 -0.000 0.000 0.262 140 Q C -0.177 175.824 176.000 0.001 0.000 0.846 140 Q CA 0.067 55.854 55.803 -0.026 0.000 0.978 140 Q CB 0.828 29.550 28.738 -0.026 0.000 1.156 140 Q HN 0.578 nan 8.270 nan 0.000 0.548 141 R N 0.845 121.350 120.500 0.009 0.000 2.388 141 R HA 0.246 4.586 4.340 -0.000 0.000 0.314 141 R C -2.234 174.109 176.300 0.070 0.000 0.959 141 R CA -1.836 54.304 56.100 0.065 0.000 0.851 141 R CB 1.439 31.807 30.300 0.113 0.000 1.168 141 R HN -0.115 nan 8.270 nan 0.000 0.472 142 P HA -0.297 nan 4.420 nan 0.000 0.219 142 P C 0.978 178.337 177.300 0.099 0.000 1.158 142 P CA 1.525 64.676 63.100 0.085 0.000 0.895 142 P CB 0.037 31.792 31.700 0.091 0.000 0.792 143 H N -0.631 118.449 119.070 0.015 0.000 2.545 143 H HA 0.041 4.597 4.556 -0.000 0.000 0.282 143 H C 1.141 176.480 175.328 0.019 0.000 1.020 143 H CA 1.012 57.072 56.048 0.019 0.000 1.243 143 H CB -0.847 28.926 29.762 0.018 0.000 1.377 143 H HN 0.262 nan 8.280 nan 0.000 0.581 144 E N 0.220 120.157 120.200 -0.438 0.000 2.427 144 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 144 E C 1.804 178.323 176.600 -0.135 0.000 1.028 144 E CA 0.210 56.397 56.400 -0.356 0.000 0.864 144 E CB 0.004 29.521 29.700 -0.305 0.000 0.813 144 E HN 0.294 nan 8.360 nan 0.000 0.514 145 I N 1.290 121.817 120.570 -0.072 0.000 2.315 145 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 145 I C 1.984 178.092 176.117 -0.014 0.000 1.125 145 I CA 1.573 62.857 61.300 -0.027 0.000 1.392 145 I CB -0.220 37.780 38.000 -0.000 0.000 1.065 145 I HN -0.010 nan 8.210 nan 0.000 0.424 146 T N 0.576 115.121 114.554 -0.015 0.000 2.708 146 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 146 T C 1.435 176.137 174.700 0.004 0.000 1.037 146 T CA 1.831 63.934 62.100 0.006 0.000 1.146 146 T CB -0.561 68.314 68.868 0.011 0.000 0.865 146 T HN 0.713 nan 8.240 nan 0.000 0.435 147 D N 1.109 121.496 120.400 -0.022 0.000 2.224 147 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 147 D C 1.999 178.289 176.300 -0.016 0.000 0.965 147 D CA 0.632 54.622 54.000 -0.017 0.000 0.852 147 D CB -0.653 40.129 40.800 -0.029 0.000 0.947 147 D HN 0.340 nan 8.370 nan 0.000 0.494 148 L N 0.253 121.472 121.223 -0.005 0.000 2.027 148 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 148 L C 2.587 179.439 176.870 -0.029 0.000 1.074 148 L CA 0.704 55.565 54.840 0.035 0.000 0.745 148 L CB -0.535 41.551 42.059 0.045 0.000 0.898 148 L HN 0.053 nan 8.230 nan 0.000 0.433 149 V N 0.171 120.067 119.914 -0.030 0.000 2.324 149 V HA -0.325 3.794 4.120 -0.000 0.000 0.250 149 V C 2.174 178.179 176.094 -0.148 0.000 1.060 149 V CA 2.064 64.325 62.300 -0.064 0.000 1.042 149 V CB -0.545 31.279 31.823 0.001 0.000 0.650 149 V HN 0.446 nan 8.190 nan 0.000 0.450 150 D N -0.252 120.106 120.400 -0.070 0.000 2.117 150 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 150 D C 2.454 178.637 176.300 -0.195 0.000 0.987 150 D CA 1.644 55.602 54.000 -0.069 0.000 0.829 150 D CB -0.285 40.541 40.800 0.042 0.000 0.961 150 D HN 0.364 nan 8.370 nan 0.000 0.460 151 S N 0.227 115.779 115.700 -0.247 0.000 2.383 151 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 151 S C 2.054 176.181 174.600 -0.787 0.000 1.026 151 S CA 0.898 58.844 58.200 -0.423 0.000 0.981 151 S CB -0.121 62.876 63.200 -0.339 0.000 0.818 151 S HN 0.351 nan 8.310 nan 0.000 0.472 152 A N 1.078 123.423 122.820 -0.792 0.000 1.908 152 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 152 A C 2.314 179.682 177.584 -0.359 0.000 1.181 152 A CA 1.545 53.206 52.037 -0.628 0.000 0.627 152 A CB -0.896 17.959 19.000 -0.243 0.000 0.818 152 A HN 0.348 nan 8.150 nan 0.000 0.445 153 V N 0.864 120.577 119.914 -0.335 0.000 2.358 153 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 153 V C 2.338 178.313 176.094 -0.197 0.000 1.047 153 V CA 2.061 64.185 62.300 -0.293 0.000 1.035 153 V CB -0.969 30.543 31.823 -0.518 0.000 0.658 153 V HN 0.548 nan 8.190 nan 0.000 0.452 154 N N 0.798 119.379 118.700 -0.198 0.000 2.043 154 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 154 N C 1.881 177.326 175.510 -0.109 0.000 1.037 154 N CA 1.925 54.899 53.050 -0.127 0.000 0.851 154 N CB -0.567 37.846 38.487 -0.123 0.000 1.027 154 N HN 0.493 nan 8.380 nan 0.000 0.422 155 A N 0.617 123.346 122.820 -0.152 0.000 1.930 155 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 155 A C 2.314 179.873 177.584 -0.041 0.000 1.175 155 A CA 1.771 53.762 52.037 -0.076 0.000 0.627 155 A CB -0.677 18.285 19.000 -0.063 0.000 0.815 155 A HN 0.331 nan 8.150 nan 0.000 0.443 156 A N -1.223 121.559 122.820 -0.064 0.000 1.929 156 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 156 A C 1.843 179.409 177.584 -0.030 0.000 1.176 156 A CA 1.516 53.532 52.037 -0.035 0.000 0.628 156 A CB -0.301 18.671 19.000 -0.047 0.000 0.816 156 A HN 0.385 nan 8.150 nan 0.000 0.444 157 M N 0.896 120.471 119.600 -0.041 0.000 2.505 157 M HA 0.118 4.598 4.480 -0.000 0.000 0.230 157 M C -0.384 175.906 176.300 -0.016 0.000 1.153 157 M CA 0.524 55.810 55.300 -0.024 0.000 0.997 157 M CB -0.821 31.765 32.600 -0.022 0.000 1.606 157 M HN 0.142 nan 8.290 nan 0.000 0.481 158 T N 1.051 115.596 114.554 -0.016 0.000 2.824 158 T HA 0.294 4.644 4.350 -0.000 0.000 0.280 158 T C 0.374 175.072 174.700 -0.004 0.000 0.995 158 T CA -0.679 61.416 62.100 -0.008 0.000 1.009 158 T CB 1.958 70.822 68.868 -0.007 0.000 0.955 158 T HN 0.096 nan 8.240 nan 0.000 0.452 159 E N 3.363 123.560 120.200 -0.004 0.000 2.373 159 E HA 0.189 4.539 4.350 -0.000 0.000 0.267 159 E C -2.224 174.376 176.600 0.001 0.000 1.032 159 E CA -1.831 54.568 56.400 -0.003 0.000 0.889 159 E CB 0.427 30.122 29.700 -0.008 0.000 0.984 159 E HN 0.340 nan 8.360 nan 0.000 0.425 160 P HA 0.027 nan 4.420 nan 0.000 0.282 160 P C -0.041 177.261 177.300 0.003 0.000 1.262 160 P CA -0.427 62.674 63.100 0.002 0.000 0.773 160 P CB 0.560 32.262 31.700 0.003 0.000 0.879 161 V N 1.578 121.492 119.914 0.000 0.000 3.032 161 V HA 0.664 4.784 4.120 -0.000 0.000 0.307 161 V C 0.497 176.590 176.094 -0.001 0.000 1.097 161 V CA 0.607 62.907 62.300 -0.001 0.000 1.191 161 V CB -0.125 31.696 31.823 -0.003 0.000 0.964 161 V HN 0.881 nan 8.190 nan 0.000 0.494 162 G N 3.209 112.010 108.800 0.001 0.000 2.441 162 G HA2 0.587 4.547 3.960 -0.000 0.000 0.294 162 G HA3 0.587 4.547 3.960 -0.000 0.000 0.294 162 G C -3.527 171.383 174.900 0.016 0.000 1.393 162 G CA -0.503 44.601 45.100 0.007 0.000 0.796 162 G HN 0.768 nan 8.290 nan 0.000 0.494 163 P HA 0.483 nan 4.420 nan 0.000 0.288 163 P C -0.634 176.721 177.300 0.091 0.000 1.267 163 P CA -0.201 62.928 63.100 0.048 0.000 0.815 163 P CB 1.862 33.589 31.700 0.045 0.000 0.989 164 S N 2.194 117.962 115.700 0.113 0.000 2.501 164 S HA 0.603 5.073 4.470 -0.000 0.000 0.301 164 S C -0.870 173.887 174.600 0.262 0.000 1.096 164 S CA -0.335 57.988 58.200 0.204 0.000 1.063 164 S CB 0.540 63.814 63.200 0.125 0.000 1.042 164 S HN 0.432 nan 8.310 nan 0.000 0.494 165 F N 3.372 123.402 119.950 0.133 0.000 2.495 165 F HA 0.698 5.225 4.527 -0.000 0.000 0.327 165 F C -1.230 174.599 175.800 0.049 0.000 1.103 165 F CA -1.168 56.859 58.000 0.045 0.000 0.949 165 F CB 0.663 39.657 39.000 -0.009 0.000 1.142 165 F HN 0.427 nan 8.300 nan 0.000 0.457 166 I N 4.792 124.884 120.570 -0.796 0.000 2.447 166 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 166 I C -0.520 174.947 176.117 -1.083 0.000 1.023 166 I CA -0.774 60.095 61.300 -0.718 0.000 1.083 166 I CB 1.871 39.696 38.000 -0.292 0.000 1.245 166 I HN 0.508 nan 8.210 nan 0.000 0.434 167 S N 6.984 122.143 115.700 -0.902 0.000 2.525 167 S HA 0.685 5.155 4.470 -0.000 0.000 0.278 167 S C -0.588 173.832 174.600 -0.300 0.000 1.234 167 S CA -0.451 57.412 58.200 -0.562 0.000 1.058 167 S CB 0.498 63.540 63.200 -0.263 0.000 0.983 167 S HN 0.465 nan 8.310 nan 0.000 0.495 168 L N 6.344 127.431 121.223 -0.227 0.000 2.401 168 L HA 0.400 4.740 4.340 -0.000 0.000 0.263 168 L C -2.530 174.292 176.870 -0.080 0.000 1.004 168 L CA -2.058 52.700 54.840 -0.137 0.000 0.881 168 L CB 1.704 43.687 42.059 -0.127 0.000 1.219 168 L HN 0.433 nan 8.230 nan 0.000 0.441 169 P HA 0.025 nan 4.420 nan 0.000 0.267 169 P C 1.204 178.485 177.300 -0.032 0.000 1.205 169 P CA -0.107 62.956 63.100 -0.062 0.000 0.765 169 P CB 1.214 32.864 31.700 -0.083 0.000 0.828 170 V N 3.322 123.226 119.914 -0.018 0.000 2.324 170 V HA -0.293 3.826 4.120 -0.000 0.000 0.250 170 V C 2.039 178.140 176.094 0.011 0.000 1.060 170 V CA 2.539 64.848 62.300 0.015 0.000 1.042 170 V CB -1.077 30.761 31.823 0.025 0.000 0.650 170 V HN 0.670 nan 8.190 nan 0.000 0.450 171 D N 0.396 120.791 120.400 -0.007 0.000 2.097 171 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 171 D C 2.008 178.318 176.300 0.017 0.000 0.989 171 D CA 1.524 55.532 54.000 0.013 0.000 0.827 171 D CB -0.655 40.157 40.800 0.020 0.000 0.966 171 D HN 0.444 nan 8.370 nan 0.000 0.456 172 L N -0.487 120.738 121.223 0.004 0.000 2.141 172 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 172 L C 2.620 179.502 176.870 0.020 0.000 1.094 172 L CA 0.316 55.163 54.840 0.012 0.000 0.763 172 L CB -0.419 41.639 42.059 -0.002 0.000 0.908 172 L HN 0.063 nan 8.230 nan 0.000 0.437 173 L N 0.515 121.750 121.223 0.021 0.000 2.093 173 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 173 L C 2.035 178.921 176.870 0.025 0.000 1.085 173 L CA 1.837 56.699 54.840 0.036 0.000 0.755 173 L CB -0.886 41.212 42.059 0.064 0.000 0.904 173 L HN 0.103 nan 8.230 nan 0.000 0.435 174 G N -1.305 107.507 108.800 0.019 0.000 3.314 174 G HA2 0.115 4.075 3.960 -0.000 0.000 0.238 174 G HA3 0.115 4.075 3.960 -0.000 0.000 0.238 174 G C 0.314 175.222 174.900 0.015 0.000 1.184 174 G CA 0.531 45.637 45.100 0.010 0.000 0.806 174 G HN 0.393 nan 8.290 nan 0.000 0.536 175 S N -0.410 115.304 115.700 0.023 0.000 2.537 175 S HA 0.488 4.958 4.470 -0.000 0.000 0.301 175 S C 1.209 175.827 174.600 0.030 0.000 1.092 175 S CA 0.196 58.411 58.200 0.026 0.000 1.048 175 S CB 1.792 65.011 63.200 0.032 0.000 1.053 175 S HN 0.229 nan 8.310 nan 0.000 0.501 176 S N 1.926 117.640 115.700 0.023 0.000 2.539 176 S HA 0.243 4.712 4.470 -0.000 0.000 0.221 176 S C 0.368 174.981 174.600 0.021 0.000 0.987 176 S CA -0.403 57.812 58.200 0.024 0.000 0.929 176 S CB -0.362 62.843 63.200 0.009 0.000 0.832 176 S HN 0.843 nan 8.310 nan 0.000 0.492 177 E N 1.535 121.747 120.200 0.020 0.000 2.606 177 E HA 0.267 4.617 4.350 -0.000 0.000 0.248 177 E C 1.162 177.762 176.600 -0.001 0.000 1.005 177 E CA 0.901 57.306 56.400 0.007 0.000 0.946 177 E CB -0.374 29.334 29.700 0.015 0.000 0.928 177 E HN 0.600 nan 8.360 nan 0.000 0.494 178 G N 4.160 112.927 108.800 -0.055 0.000 2.176 178 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.253 178 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.253 178 G C 0.264 175.117 174.900 -0.079 0.000 0.979 178 G CA 0.097 45.100 45.100 -0.162 0.000 0.641 178 G HN 0.579 nan 8.290 nan 0.000 0.530 179 I N 2.418 122.995 120.570 0.011 0.000 2.291 179 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 179 I C 0.683 176.819 176.117 0.031 0.000 1.050 179 I CA 0.628 61.962 61.300 0.056 0.000 1.245 179 I CB 0.576 38.623 38.000 0.079 0.000 1.405 179 I HN 0.338 nan 8.210 nan 0.000 0.478 185 N N 3.303 122.011 118.700 0.013 0.000 2.483 185 N HA 0.288 5.028 4.740 -0.000 0.000 0.264 185 N C -1.757 173.750 175.510 -0.006 0.000 1.197 185 N CA -0.536 52.517 53.050 0.005 0.000 0.927 185 N CB 0.330 38.812 38.487 -0.008 0.000 1.065 185 N HN 0.335 nan 8.380 nan 0.000 0.461 186 P HA 0.236 nan 4.420 nan 0.000 0.270 186 P C -2.483 174.799 177.300 -0.030 0.000 1.223 186 P CA -0.870 62.224 63.100 -0.010 0.000 0.785 186 P CB -0.566 31.133 31.700 -0.000 0.000 0.923 187 P HA 0.044 nan 4.420 nan 0.000 0.267 187 P C 0.436 177.687 177.300 -0.081 0.000 1.200 187 P CA 0.025 63.094 63.100 -0.051 0.000 0.772 187 P CB 0.321 32.002 31.700 -0.032 0.000 0.855 188 A N 2.654 125.387 122.820 -0.146 0.000 1.874 188 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 188 A C 0.661 178.178 177.584 -0.110 0.000 1.189 188 A CA 0.944 52.816 52.037 -0.275 0.000 0.615 188 A CB -1.010 17.670 19.000 -0.533 0.000 0.830 188 A HN 0.627 nan 8.150 nan 0.000 0.443 189 N N -0.102 118.561 118.700 -0.062 0.000 2.758 189 N HA -0.111 4.629 4.740 -0.000 0.000 0.248 189 N C -0.571 174.964 175.510 0.041 0.000 1.076 189 N CA 1.249 54.298 53.050 -0.003 0.000 0.696 189 N CB -2.292 36.202 38.487 0.011 0.000 0.979 189 N HN 0.464 nan 8.380 nan 0.000 0.550 190 T N 1.929 116.514 114.554 0.051 0.000 2.829 190 T HA 0.212 4.562 4.350 -0.000 0.000 0.293 190 T C -1.829 172.912 174.700 0.067 0.000 0.970 190 T CA -0.546 61.630 62.100 0.126 0.000 1.168 190 T CB 0.554 69.517 68.868 0.158 0.000 0.911 190 T HN 0.056 nan 8.240 nan 0.000 0.535 191 P HA 0.208 nan 4.420 nan 0.000 0.264 191 P C 0.443 177.763 177.300 0.033 0.000 1.193 191 P CA -0.233 62.887 63.100 0.033 0.000 0.763 191 P CB 0.490 32.203 31.700 0.022 0.000 0.810 192 A N 4.067 126.903 122.820 0.028 0.000 2.014 192 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 192 A C 0.881 178.481 177.584 0.027 0.000 1.163 192 A CA 1.275 53.328 52.037 0.028 0.000 0.652 192 A CB -0.491 18.523 19.000 0.024 0.000 0.808 192 A HN 0.663 nan 8.150 nan 0.000 0.449 193 K N -1.165 119.249 120.400 0.023 0.000 2.482 193 K HA 0.606 4.925 4.320 -0.000 0.000 0.257 193 K C -3.415 173.195 176.600 0.015 0.000 0.969 193 K CA -2.228 54.072 56.287 0.022 0.000 0.842 193 K CB 1.155 33.668 32.500 0.022 0.000 1.359 193 K HN -0.221 nan 8.250 nan 0.000 0.441 194 P HA -0.036 nan 4.420 nan 0.000 0.266 194 P C -0.621 176.679 177.300 -0.000 0.000 1.195 194 P CA -0.428 62.675 63.100 0.006 0.000 0.768 194 P CB 0.497 32.200 31.700 0.006 0.000 0.838 195 V N 3.362 123.275 119.914 -0.002 0.000 2.585 195 V HA 0.379 4.499 4.120 -0.000 0.000 0.296 195 V C 1.170 177.258 176.094 -0.011 0.000 1.035 195 V CA 0.883 63.180 62.300 -0.005 0.000 1.084 195 V CB 0.256 32.077 31.823 -0.003 0.000 0.953 195 V HN 0.813 nan 8.190 nan 0.000 0.483 196 G N 3.201 111.990 108.800 -0.019 0.000 2.788 196 G HA2 0.728 4.688 3.960 -0.000 0.000 0.293 196 G HA3 0.728 4.688 3.960 -0.000 0.000 0.293 196 G C -0.669 174.214 174.900 -0.028 0.000 1.305 196 G CA -0.416 44.667 45.100 -0.028 0.000 1.005 196 G HN 0.895 nan 8.290 nan 0.000 0.496 197 V N -2.345 117.550 119.914 -0.032 0.000 2.837 197 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 197 V C -0.425 175.639 176.094 -0.050 0.000 1.059 197 V CA -0.909 61.376 62.300 -0.024 0.000 1.004 197 V CB 1.464 33.282 31.823 -0.008 0.000 1.045 197 V HN 0.561 nan 8.190 nan 0.000 0.465 198 V N 2.300 122.202 119.914 -0.020 0.000 2.612 198 V HA 0.760 4.879 4.120 -0.000 0.000 0.301 198 V C 0.379 176.525 176.094 0.086 0.000 1.059 198 V CA -0.112 62.176 62.300 -0.021 0.000 0.886 198 V CB 1.318 33.136 31.823 -0.008 0.000 1.007 198 V HN 1.417 nan 8.190 nan 0.000 0.426 199 A N 2.758 125.657 122.820 0.132 0.000 2.340 199 A HA 0.569 4.889 4.320 -0.000 0.000 0.268 199 A C -0.080 177.662 177.584 0.263 0.000 1.100 199 A CA -0.228 51.910 52.037 0.167 0.000 0.803 199 A CB 0.376 19.459 19.000 0.139 0.000 1.043 199 A HN 0.915 nan 8.150 nan 0.000 0.488 200 D N 0.578 121.076 120.400 0.164 0.000 2.455 200 D HA 0.393 5.033 4.640 -0.000 0.000 0.241 200 D C 1.343 177.710 176.300 0.111 0.000 1.138 200 D CA 1.893 55.971 54.000 0.129 0.000 0.877 200 D CB 0.330 41.174 40.800 0.073 0.000 1.187 200 D HN 1.168 nan 8.370 nan 0.000 0.451 201 G N 3.477 112.306 108.800 0.049 0.000 2.159 201 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 201 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 201 G C 1.111 176.041 174.900 0.050 0.000 0.977 201 G CA 0.517 45.621 45.100 0.007 0.000 0.652 201 G HN 0.709 nan 8.290 nan 0.000 0.531 202 W N 0.182 121.523 121.300 0.069 0.000 2.350 202 W HA -0.107 4.553 4.660 -0.000 0.000 0.289 202 W C 1.504 178.098 176.519 0.126 0.000 1.215 202 W CA 1.383 58.779 57.345 0.084 0.000 1.236 202 W CB -0.679 28.834 29.460 0.088 0.000 1.130 202 W HN 0.401 nan 8.180 nan 0.000 0.541 203 Q N 1.284 120.725 119.800 -0.598 0.000 2.050 203 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 203 Q C 2.417 178.355 176.000 -0.105 0.000 0.980 203 Q CA 2.398 57.908 55.803 -0.488 0.000 0.840 203 Q CB -0.570 27.857 28.738 -0.518 0.000 0.898 203 Q HN 0.236 nan 8.270 nan 0.000 0.424 204 K N -0.111 120.246 120.400 -0.072 0.000 2.103 204 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 204 K C 1.915 178.535 176.600 0.033 0.000 1.048 204 K CA 1.177 57.458 56.287 -0.010 0.000 0.930 204 K CB -0.132 32.362 32.500 -0.009 0.000 0.716 204 K HN 0.235 nan 8.250 nan 0.000 0.444 205 A N 0.922 123.787 122.820 0.075 0.000 1.898 205 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 205 A C 2.269 179.948 177.584 0.160 0.000 1.181 205 A CA 1.695 53.800 52.037 0.113 0.000 0.620 205 A CB -0.595 18.486 19.000 0.135 0.000 0.819 205 A HN 0.428 nan 8.150 nan 0.000 0.442 206 A N -0.012 122.935 122.820 0.212 0.000 1.972 206 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 206 A C 1.681 179.364 177.584 0.165 0.000 1.169 206 A CA 1.806 54.020 52.037 0.295 0.000 0.635 206 A CB -0.445 18.698 19.000 0.239 0.000 0.810 206 A HN 0.480 nan 8.150 nan 0.000 0.446 207 D N -0.590 119.818 120.400 0.013 0.000 2.149 207 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 207 D C 2.096 178.448 176.300 0.087 0.000 0.972 207 D CA 1.144 55.150 54.000 0.011 0.000 0.835 207 D CB -0.385 40.414 40.800 -0.002 0.000 0.966 207 D HN 0.592 nan 8.370 nan 0.000 0.476 208 Q N 0.458 120.316 119.800 0.096 0.000 2.124 208 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 208 Q C 2.163 178.251 176.000 0.146 0.000 0.977 208 Q CA 1.469 57.331 55.803 0.098 0.000 0.850 208 Q CB -0.062 28.720 28.738 0.073 0.000 0.901 208 Q HN 0.214 nan 8.270 nan 0.000 0.429 209 A N 0.759 123.708 122.820 0.215 0.000 1.898 209 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 209 A C 2.260 180.110 177.584 0.443 0.000 1.181 209 A CA 1.484 53.704 52.037 0.306 0.000 0.620 209 A CB -0.797 18.413 19.000 0.349 0.000 0.819 209 A HN 0.411 nan 8.150 nan 0.000 0.442 210 A N 0.017 123.098 122.820 0.434 0.000 1.908 210 A HA 0.117 4.436 4.320 -0.000 0.000 0.218 210 A C 2.518 180.262 177.584 0.268 0.000 1.181 210 A CA 2.221 54.363 52.037 0.175 0.000 0.627 210 A CB -1.072 17.819 19.000 -0.182 0.000 0.818 210 A HN 1.072 nan 8.150 nan 0.000 0.445 211 A N -0.150 122.783 122.820 0.188 0.000 1.883 211 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 211 A C 2.161 179.798 177.584 0.089 0.000 1.186 211 A CA 1.581 53.690 52.037 0.121 0.000 0.624 211 A CB -0.686 18.360 19.000 0.078 0.000 0.822 211 A HN 0.493 nan 8.150 nan 0.000 0.444 212 L N -1.060 120.233 121.223 0.116 0.000 2.083 212 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 212 L C 2.548 179.484 176.870 0.110 0.000 1.083 212 L CA 1.147 56.044 54.840 0.095 0.000 0.752 212 L CB -0.582 41.537 42.059 0.099 0.000 0.899 212 L HN 0.481 nan 8.230 nan 0.000 0.433 213 L N 0.189 121.529 121.223 0.196 0.000 2.056 213 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 213 L C 2.644 179.568 176.870 0.091 0.000 1.078 213 L CA 1.880 56.850 54.840 0.217 0.000 0.749 213 L CB -0.719 41.575 42.059 0.392 0.000 0.901 213 L HN 0.121 nan 8.230 nan 0.000 0.433 214 A N -0.165 122.643 122.820 -0.019 0.000 1.865 214 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 214 A C 2.357 179.808 177.584 -0.222 0.000 1.191 214 A CA 2.533 54.321 52.037 -0.414 0.000 0.623 214 A CB -1.364 17.253 19.000 -0.638 0.000 0.826 214 A HN 0.539 nan 8.150 nan 0.000 0.444 215 E N -0.441 119.690 120.200 -0.114 0.000 2.268 215 E HA 0.359 4.709 4.350 -0.000 0.000 0.195 215 E C 1.112 177.687 176.600 -0.041 0.000 0.995 215 E CA 0.949 57.307 56.400 -0.071 0.000 0.836 215 E CB -0.999 28.679 29.700 -0.036 0.000 0.763 215 E HN 1.142 nan 8.360 nan 0.000 0.491 216 A N -0.512 122.298 122.820 -0.016 0.000 2.425 216 A HA 0.567 4.887 4.320 -0.000 0.000 0.249 216 A C 1.590 179.154 177.584 -0.035 0.000 1.084 216 A CA 0.582 52.621 52.037 0.004 0.000 0.781 216 A CB 0.677 19.704 19.000 0.045 0.000 1.019 216 A HN 0.603 nan 8.150 nan 0.000 0.490 217 K N 0.649 121.019 120.400 -0.050 0.000 2.335 217 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 217 K C 0.506 176.857 176.600 -0.415 0.000 1.058 217 K CA 1.139 57.301 56.287 -0.208 0.000 0.988 217 K CB 0.024 32.415 32.500 -0.183 0.000 0.880 217 K HN 0.856 nan 8.250 nan 0.000 0.513 218 H N 0.577 119.685 119.070 0.062 0.000 2.490 218 H HA 0.260 4.816 4.556 -0.000 0.000 0.230 218 H C -2.982 172.396 175.328 0.083 0.000 1.417 218 H CA -1.926 54.179 56.048 0.096 0.000 1.449 218 H CB 1.455 31.270 29.762 0.089 0.000 1.649 218 H HN 0.268 nan 8.280 nan 0.000 0.519 219 P HA 0.207 nan 4.420 nan 0.000 0.279 219 P C 0.024 177.385 177.300 0.101 0.000 1.252 219 P CA -0.530 62.636 63.100 0.109 0.000 0.811 219 P CB 2.345 34.106 31.700 0.101 0.000 1.035 220 V N -1.299 118.651 119.914 0.062 0.000 2.962 220 V HA 0.562 4.682 4.120 -0.000 0.000 0.313 220 V C -0.657 175.429 176.094 -0.012 0.000 1.099 220 V CA -1.189 61.126 62.300 0.025 0.000 0.971 220 V CB 1.842 33.710 31.823 0.075 0.000 1.028 220 V HN 0.253 nan 8.190 nan 0.000 0.430 221 L N 2.969 124.175 121.223 -0.029 0.000 2.262 221 L HA 0.530 4.869 4.340 -0.000 0.000 0.288 221 L C -0.459 176.396 176.870 -0.025 0.000 1.035 221 L CA -0.673 54.145 54.840 -0.036 0.000 0.820 221 L CB 1.589 43.633 42.059 -0.025 0.000 1.204 221 L HN 0.555 nan 8.230 nan 0.000 0.424 222 V N 5.022 124.913 119.914 -0.039 0.000 2.368 222 V HA 0.198 4.318 4.120 -0.000 0.000 0.266 222 V C 0.304 176.409 176.094 0.019 0.000 1.045 222 V CA -0.418 61.889 62.300 0.012 0.000 0.899 222 V CB 1.396 33.209 31.823 -0.016 0.000 1.006 222 V HN 0.391 nan 8.190 nan 0.000 0.470 223 V N 4.780 124.713 119.914 0.031 0.000 2.427 223 V HA 0.773 4.893 4.120 -0.000 0.000 0.286 223 V C 0.787 176.901 176.094 0.033 0.000 1.034 223 V CA -0.126 62.185 62.300 0.018 0.000 0.893 223 V CB 1.556 33.376 31.823 -0.004 0.000 0.982 223 V HN 0.900 nan 8.190 nan 0.000 0.452 224 G N 2.157 110.972 108.800 0.025 0.000 2.537 224 G HA2 0.570 4.530 3.960 -0.000 0.000 0.323 224 G HA3 0.570 4.530 3.960 -0.000 0.000 0.323 224 G C 0.884 175.793 174.900 0.016 0.000 1.207 224 G CA -0.010 45.098 45.100 0.014 0.000 0.976 224 G HN 0.903 nan 8.290 nan 0.000 0.487 225 A N 0.192 123.038 122.820 0.043 0.000 1.958 225 A HA 0.024 4.344 4.320 -0.000 0.000 0.221 225 A C 2.733 180.367 177.584 0.083 0.000 1.178 225 A CA 2.855 54.956 52.037 0.107 0.000 0.642 225 A CB -0.895 18.220 19.000 0.192 0.000 0.816 225 A HN 1.539 nan 8.150 nan 0.000 0.453 226 A N -0.229 122.616 122.820 0.042 0.000 1.948 226 A HA 0.036 4.355 4.320 -0.000 0.000 0.220 226 A C 2.481 180.076 177.584 0.019 0.000 1.177 226 A CA 2.349 54.403 52.037 0.029 0.000 0.636 226 A CB -1.011 17.991 19.000 0.004 0.000 0.815 226 A HN 1.224 nan 8.150 nan 0.000 0.449 227 A N -0.195 122.627 122.820 0.004 0.000 1.933 227 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 227 A C 2.084 179.657 177.584 -0.019 0.000 1.175 227 A CA 1.550 53.583 52.037 -0.008 0.000 0.628 227 A CB -0.581 18.410 19.000 -0.015 0.000 0.814 227 A HN 0.540 nan 8.150 nan 0.000 0.444 228 I N -1.064 119.483 120.570 -0.039 0.000 2.252 228 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 228 I C 2.669 178.797 176.117 0.018 0.000 1.102 228 I CA 1.173 62.423 61.300 -0.083 0.000 1.385 228 I CB -0.352 37.467 38.000 -0.302 0.000 1.064 228 I HN 0.232 nan 8.210 nan 0.000 0.414 229 R N 0.017 120.567 120.500 0.084 0.000 2.120 229 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 229 R C 2.336 178.664 176.300 0.048 0.000 1.123 229 R CA 1.353 57.510 56.100 0.094 0.000 0.975 229 R CB -0.368 29.984 30.300 0.086 0.000 0.866 229 R HN 0.217 nan 8.270 nan 0.000 0.446 230 S N -0.535 115.181 115.700 0.026 0.000 2.607 230 S HA 0.027 4.497 4.470 -0.000 0.000 0.224 230 S C 1.037 175.644 174.600 0.012 0.000 0.969 230 S CA 0.730 58.937 58.200 0.012 0.000 0.927 230 S CB 0.011 63.212 63.200 0.002 0.000 0.772 230 S HN 0.639 nan 8.310 nan 0.000 0.533 231 G N 0.352 109.159 108.800 0.013 0.000 2.176 231 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 231 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 231 G C 0.503 175.404 174.900 0.002 0.000 1.024 231 G CA 0.274 45.379 45.100 0.008 0.000 0.755 231 G HN 0.847 nan 8.290 nan 0.000 0.507 232 A N -1.122 121.696 122.820 -0.003 0.000 2.348 232 A HA 0.622 4.942 4.320 -0.000 0.000 0.224 232 A C 2.226 179.806 177.584 -0.008 0.000 1.227 232 A CA 1.412 53.451 52.037 0.003 0.000 0.885 232 A CB 0.197 19.206 19.000 0.016 0.000 0.933 232 A HN 0.893 nan 8.150 nan 0.000 0.506 233 V N 1.189 121.086 119.914 -0.029 0.000 2.233 233 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 233 V C -0.103 175.973 176.094 -0.031 0.000 1.050 233 V CA 2.718 64.992 62.300 -0.044 0.000 1.010 233 V CB -1.413 30.365 31.823 -0.075 0.000 0.637 233 V HN 0.363 nan 8.190 nan 0.000 0.444 234 P HA -0.178 nan 4.420 nan 0.000 0.216 234 P C 1.585 178.883 177.300 -0.003 0.000 1.150 234 P CA 2.081 65.175 63.100 -0.011 0.000 0.843 234 P CB -0.169 31.529 31.700 -0.003 0.000 0.787 235 A N -1.174 121.647 122.820 0.002 0.000 1.969 235 A HA -0.123 4.196 4.320 -0.000 0.000 0.218 235 A C 2.174 179.766 177.584 0.015 0.000 1.169 235 A CA 1.167 53.210 52.037 0.011 0.000 0.635 235 A CB -1.445 17.565 19.000 0.016 0.000 0.810 235 A HN 0.134 nan 8.150 nan 0.000 0.445 236 I N -1.148 119.427 120.570 0.008 0.000 2.353 236 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 236 I C 2.630 178.743 176.117 -0.007 0.000 1.119 236 I CA 1.339 62.644 61.300 0.009 0.000 1.417 236 I CB -0.220 37.779 38.000 -0.001 0.000 1.078 236 I HN 0.362 nan 8.210 nan 0.000 0.421 237 R N 1.338 121.823 120.500 -0.026 0.000 2.081 237 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 237 R C 2.299 178.598 176.300 -0.001 0.000 1.131 237 R CA 1.672 57.745 56.100 -0.045 0.000 0.960 237 R CB -0.213 30.054 30.300 -0.055 0.000 0.856 237 R HN 0.336 nan 8.270 nan 0.000 0.436 238 A N 0.952 123.780 122.820 0.013 0.000 1.897 238 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 238 A C 2.021 179.623 177.584 0.029 0.000 1.181 238 A CA 0.997 53.049 52.037 0.025 0.000 0.620 238 A CB -0.563 18.448 19.000 0.019 0.000 0.821 238 A HN 0.388 nan 8.150 nan 0.000 0.443 239 L N 0.023 121.265 121.223 0.032 0.000 2.012 239 L HA -0.128 4.211 4.340 -0.000 0.000 0.210 239 L C 2.627 179.530 176.870 0.056 0.000 1.073 239 L CA 2.379 57.249 54.840 0.051 0.000 0.748 239 L CB -0.746 41.363 42.059 0.084 0.000 0.891 239 L HN 0.338 nan 8.230 nan 0.000 0.431 240 A N -0.929 121.916 122.820 0.041 0.000 1.877 240 A HA -0.219 4.100 4.320 -0.000 0.000 0.216 240 A C 2.198 179.812 177.584 0.050 0.000 1.186 240 A CA 1.791 53.847 52.037 0.032 0.000 0.620 240 A CB -0.677 18.317 19.000 -0.010 0.000 0.822 240 A HN 0.605 nan 8.150 nan 0.000 0.443 241 E N -0.932 119.307 120.200 0.065 0.000 2.106 241 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 241 E C 2.305 178.942 176.600 0.062 0.000 0.984 241 E CA 1.180 57.635 56.400 0.092 0.000 0.806 241 E CB -0.132 29.635 29.700 0.112 0.000 0.750 241 E HN 0.620 nan 8.360 nan 0.000 0.458 242 R N 0.680 121.209 120.500 0.048 0.000 2.075 242 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 242 R C 1.801 178.127 176.300 0.042 0.000 1.126 242 R CA 1.045 57.167 56.100 0.036 0.000 0.963 242 R CB -0.002 30.311 30.300 0.022 0.000 0.858 242 R HN 0.156 nan 8.270 nan 0.000 0.435 243 L N 0.796 122.050 121.223 0.052 0.000 2.607 243 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 243 L C 0.141 177.046 176.870 0.058 0.000 1.123 243 L CA -0.130 54.749 54.840 0.065 0.000 0.890 243 L CB -0.053 42.059 42.059 0.088 0.000 1.103 243 L HN 0.342 nan 8.230 nan 0.000 0.468 244 N N 1.204 119.934 118.700 0.050 0.000 2.740 244 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 244 N C -0.444 175.080 175.510 0.023 0.000 1.062 244 N CA 0.463 53.539 53.050 0.043 0.000 0.704 244 N CB -1.200 37.313 38.487 0.043 0.000 0.968 244 N HN 0.323 nan 8.380 nan 0.000 0.547 245 I N 0.388 120.968 120.570 0.016 0.000 2.325 245 I HA 0.313 4.482 4.170 -0.000 0.000 0.291 245 I C -1.799 174.249 176.117 -0.116 0.000 1.019 245 I CA -1.971 59.318 61.300 -0.017 0.000 1.302 245 I CB 1.095 39.113 38.000 0.030 0.000 1.401 245 I HN -0.004 nan 8.210 nan 0.000 0.485 246 P HA 0.072 nan 4.420 nan 0.000 0.269 246 P C -0.744 176.354 177.300 -0.337 0.000 1.215 246 P CA -0.132 62.610 63.100 -0.596 0.000 0.780 246 P CB 0.700 31.563 31.700 -1.395 0.000 0.898 247 V N 4.574 124.328 119.914 -0.267 0.000 2.409 247 V HA 0.383 4.502 4.120 -0.000 0.000 0.291 247 V C 0.304 176.371 176.094 -0.044 0.000 1.020 247 V CA -0.301 61.929 62.300 -0.115 0.000 0.848 247 V CB 1.003 32.772 31.823 -0.090 0.000 0.990 247 V HN 0.393 nan 8.190 nan 0.000 0.430 248 I N 4.290 124.860 120.570 0.001 0.000 2.562 248 I HA 0.712 4.881 4.170 -0.000 0.000 0.301 248 I C 0.305 176.469 176.117 0.079 0.000 1.003 248 I CA -0.228 61.110 61.300 0.065 0.000 1.127 248 I CB 2.572 40.632 38.000 0.100 0.000 1.304 248 I HN 0.753 nan 8.210 nan 0.000 0.446 249 T N -0.331 114.281 114.554 0.098 0.000 2.901 249 T HA 0.548 4.898 4.350 -0.000 0.000 0.293 249 T C -0.036 174.743 174.700 0.132 0.000 1.084 249 T CA -0.741 61.417 62.100 0.096 0.000 1.008 249 T CB 1.613 70.524 68.868 0.072 0.000 1.170 249 T HN 0.674 nan 8.240 nan 0.000 0.509 250 T N -0.030 114.588 114.554 0.106 0.000 2.698 250 T HA 0.213 4.563 4.350 -0.000 0.000 0.295 250 T C 0.966 175.792 174.700 0.210 0.000 1.007 250 T CA -0.369 61.779 62.100 0.080 0.000 0.980 250 T CB -0.125 68.727 68.868 -0.026 0.000 1.036 250 T HN 0.541 nan 8.240 nan 0.000 0.526 251 Y N 0.697 121.080 120.300 0.138 0.000 2.081 251 Y HA -0.057 4.492 4.550 -0.000 0.000 0.280 251 Y C 2.469 178.547 175.900 0.297 0.000 1.163 251 Y CA 1.069 59.298 58.100 0.214 0.000 1.135 251 Y CB -1.327 37.264 38.460 0.217 0.000 0.970 251 Y HN 0.690 nan 8.280 nan 0.000 0.498 252 I N -2.789 118.003 120.570 0.369 0.000 3.578 252 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 252 I C 1.793 178.078 176.117 0.281 0.000 1.280 252 I CA 0.935 62.449 61.300 0.356 0.000 1.347 252 I CB -0.387 37.811 38.000 0.331 0.000 1.051 252 I HN 0.018 nan 8.210 nan 0.000 0.460 253 A N 1.170 124.094 122.820 0.174 0.000 2.259 253 A HA 0.177 4.497 4.320 -0.000 0.000 0.208 253 A C 0.885 178.504 177.584 0.057 0.000 1.201 253 A CA -0.182 51.889 52.037 0.058 0.000 0.824 253 A CB -0.468 18.552 19.000 0.033 0.000 0.838 253 A HN 0.371 nan 8.150 nan 0.000 0.485 254 K N -0.534 119.944 120.400 0.131 0.000 2.448 254 K HA 0.324 4.644 4.320 -0.000 0.000 0.278 254 K C 1.146 177.784 176.600 0.063 0.000 1.009 254 K CA 0.947 57.293 56.287 0.098 0.000 0.995 254 K CB 0.164 32.740 32.500 0.127 0.000 0.917 254 K HN 0.584 nan 8.250 nan 0.000 0.481 255 G N 0.784 109.599 108.800 0.024 0.000 2.157 255 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.239 255 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.239 255 G C 0.605 175.479 174.900 -0.043 0.000 0.982 255 G CA 0.223 45.325 45.100 0.003 0.000 0.650 255 G HN 0.554 nan 8.290 nan 0.000 0.527 256 V N -1.873 118.003 119.914 -0.063 0.000 2.970 256 V HA 0.507 4.627 4.120 -0.000 0.000 0.260 256 V C 1.132 177.166 176.094 -0.100 0.000 1.100 256 V CA 1.099 63.344 62.300 -0.091 0.000 1.122 256 V CB -0.181 31.586 31.823 -0.092 0.000 0.721 256 V HN 0.417 nan 8.190 nan 0.000 0.483 257 L N 0.740 121.901 121.223 -0.102 0.000 2.362 257 L HA 0.592 4.931 4.340 -0.000 0.000 0.271 257 L C -2.545 174.297 176.870 -0.047 0.000 1.002 257 L CA -2.152 52.596 54.840 -0.154 0.000 0.818 257 L CB 2.219 44.113 42.059 -0.276 0.000 1.298 257 L HN -0.013 nan 8.230 nan 0.000 0.420 258 P HA 0.022 nan 4.420 nan 0.000 0.269 258 P C -0.568 176.781 177.300 0.082 0.000 1.215 258 P CA -0.385 62.750 63.100 0.058 0.000 0.780 258 P CB 0.439 32.193 31.700 0.090 0.000 0.898 259 V N 2.086 122.037 119.914 0.061 0.000 2.557 259 V HA 0.197 4.317 4.120 -0.000 0.000 0.301 259 V C 1.748 177.884 176.094 0.071 0.000 1.026 259 V CA 1.842 64.177 62.300 0.059 0.000 1.137 259 V CB -0.750 31.099 31.823 0.044 0.000 0.917 259 V HN 1.055 nan 8.190 nan 0.000 0.484 260 G N 2.627 111.471 108.800 0.073 0.000 2.199 260 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 260 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 260 G C 0.367 175.315 174.900 0.080 0.000 0.982 260 G CA 0.265 45.401 45.100 0.061 0.000 0.632 260 G HN 0.942 nan 8.290 nan 0.000 0.529 261 H N 2.108 121.193 119.070 0.024 0.000 2.972 261 H HA 0.154 4.710 4.556 -0.000 0.000 0.343 261 H C 1.898 177.253 175.328 0.045 0.000 1.054 261 H CA 1.193 57.259 56.048 0.030 0.000 1.412 261 H CB 0.707 30.486 29.762 0.028 0.000 1.385 261 H HN 0.664 nan 8.280 nan 0.000 0.600 262 E N 4.232 124.451 120.200 0.031 0.000 2.274 262 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 262 E C 1.065 177.836 176.600 0.286 0.000 0.996 262 E CA 0.634 57.101 56.400 0.112 0.000 0.840 262 E CB 0.078 29.785 29.700 0.012 0.000 0.772 262 E HN 0.584 nan 8.360 nan 0.000 0.491 263 L N 1.068 122.553 121.223 0.437 0.000 2.611 263 L HA 0.137 4.477 4.340 -0.000 0.000 0.229 263 L C 0.933 177.919 176.870 0.194 0.000 1.137 263 L CA -0.337 54.649 54.840 0.245 0.000 0.901 263 L CB -0.193 41.941 42.059 0.125 0.000 1.098 263 L HN 0.040 nan 8.230 nan 0.000 0.456 264 N N 0.224 119.080 118.700 0.260 0.000 2.895 264 N HA -0.053 4.687 4.740 -0.000 0.000 0.277 264 N C 0.445 176.108 175.510 0.255 0.000 1.185 264 N CA 0.009 53.163 53.050 0.172 0.000 1.106 264 N CB 0.173 38.735 38.487 0.125 0.000 1.422 264 N HN 0.083 nan 8.380 nan 0.000 0.521 265 Y N 0.953 121.229 120.300 -0.040 0.000 2.578 265 Y HA 0.174 4.723 4.550 -0.000 0.000 0.297 265 Y C 1.835 177.692 175.900 -0.070 0.000 1.176 265 Y CA 0.207 58.265 58.100 -0.070 0.000 1.315 265 Y CB -0.559 37.840 38.460 -0.103 0.000 1.031 265 Y HN 0.525 nan 8.280 nan 0.000 0.524 266 G N -0.315 108.532 108.800 0.079 0.000 2.685 266 G HA2 0.143 4.103 3.960 -0.000 0.000 0.387 266 G HA3 0.143 4.103 3.960 -0.000 0.000 0.387 266 G C -0.668 174.250 174.900 0.030 0.000 1.324 266 G CA -0.735 44.372 45.100 0.012 0.000 0.878 266 G HN 0.536 nan 8.290 nan 0.000 0.527 267 A N -1.114 121.711 122.820 0.007 0.000 2.306 267 A HA 0.841 5.161 4.320 -0.000 0.000 0.330 267 A C 0.205 177.846 177.584 0.095 0.000 1.146 267 A CA -0.022 52.056 52.037 0.069 0.000 0.827 267 A CB 1.666 20.709 19.000 0.071 0.000 1.178 267 A HN 1.878 nan 8.150 nan 0.000 0.490 268 V N 1.199 121.229 119.914 0.193 0.000 2.439 268 V HA 0.651 4.770 4.120 -0.000 0.000 0.282 268 V C 0.480 176.766 176.094 0.321 0.000 1.039 268 V CA 0.002 62.444 62.300 0.236 0.000 0.913 268 V CB 1.369 33.382 31.823 0.317 0.000 0.983 268 V HN 1.028 nan 8.190 nan 0.000 0.460 269 T N 2.445 117.157 114.554 0.262 0.000 2.912 269 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 269 T C 1.144 175.957 174.700 0.189 0.000 1.052 269 T CA 0.215 62.528 62.100 0.355 0.000 0.996 269 T CB 1.713 70.780 68.868 0.331 0.000 1.070 269 T HN 0.798 nan 8.240 nan 0.000 0.465 270 G N 1.599 110.485 108.800 0.144 0.000 2.470 270 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 270 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 270 G C 0.715 175.561 174.900 -0.090 0.000 1.121 270 G CA 0.683 45.771 45.100 -0.020 0.000 0.766 270 G HN 0.818 nan 8.290 nan 0.000 0.553 271 Y N 0.702 120.954 120.300 -0.081 0.000 2.583 271 Y HA 0.087 4.637 4.550 -0.000 0.000 0.293 271 Y C 2.865 178.754 175.900 -0.018 0.000 1.157 271 Y CA 0.748 58.865 58.100 0.028 0.000 1.315 271 Y CB -0.217 38.148 38.460 -0.159 0.000 1.021 271 Y HN 0.283 nan 8.280 nan 0.000 0.536 272 M N -0.987 118.634 119.600 0.035 0.000 2.117 272 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 272 M C 0.954 177.192 176.300 -0.103 0.000 1.065 272 M CA 2.048 57.299 55.300 -0.082 0.000 1.114 272 M CB -0.400 32.151 32.600 -0.081 0.000 1.361 272 M HN -0.024 nan 8.290 nan 0.000 0.408 273 D N 1.334 121.684 120.400 -0.083 0.000 2.097 273 D HA -0.062 4.578 4.640 -0.000 0.000 0.195 273 D C 2.294 178.467 176.300 -0.211 0.000 0.989 273 D CA 1.986 55.930 54.000 -0.094 0.000 0.827 273 D CB -0.737 40.005 40.800 -0.096 0.000 0.966 273 D HN 0.613 nan 8.370 nan 0.000 0.456 274 G N 0.545 109.059 108.800 -0.477 0.000 2.418 274 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 274 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 274 G C 1.766 176.436 174.900 -0.383 0.000 1.158 274 G CA 0.354 44.866 45.100 -0.980 0.000 0.771 274 G HN 0.272 nan 8.290 nan 0.000 0.545 275 I N 0.098 120.595 120.570 -0.122 0.000 2.315 275 I HA -0.031 4.139 4.170 -0.000 0.000 0.248 275 I C 2.307 178.353 176.117 -0.119 0.000 1.117 275 I CA 0.747 62.018 61.300 -0.049 0.000 1.404 275 I CB -0.041 37.725 38.000 -0.389 0.000 1.071 275 I HN 0.112 nan 8.210 nan 0.000 0.419 276 L N -0.001 121.124 121.223 -0.164 0.000 2.567 276 L HA 0.081 4.421 4.340 -0.000 0.000 0.225 276 L C 0.564 177.569 176.870 0.225 0.000 1.119 276 L CA -0.062 54.723 54.840 -0.092 0.000 0.871 276 L CB -0.411 41.565 42.059 -0.138 0.000 1.036 276 L HN 0.308 nan 8.230 nan 0.000 0.459 277 N N 0.932 119.717 118.700 0.142 0.000 2.689 277 N HA -0.300 4.439 4.740 -0.000 0.000 0.263 277 N C -0.851 174.782 175.510 0.205 0.000 0.987 277 N CA 0.614 53.744 53.050 0.134 0.000 0.782 277 N CB -0.957 37.625 38.487 0.159 0.000 0.903 277 N HN 0.281 nan 8.380 nan 0.000 0.547 278 F N 0.162 120.103 119.950 -0.015 0.000 2.628 278 F HA 0.475 5.001 4.527 -0.000 0.000 0.309 278 F C -2.208 173.572 175.800 -0.033 0.000 1.108 278 F CA -1.771 56.224 58.000 -0.008 0.000 0.971 278 F CB 1.874 40.877 39.000 0.006 0.000 1.279 278 F HN -0.021 nan 8.300 nan 0.000 0.441 279 P HA 0.196 nan 4.420 nan 0.000 0.237 279 P C -0.288 177.050 177.300 0.064 0.000 1.788 279 P CA 0.315 63.303 63.100 -0.186 0.000 1.061 279 P CB 0.515 32.035 31.700 -0.300 0.000 1.967 280 A N 2.564 125.543 122.820 0.265 0.000 1.898 280 A HA -0.055 4.264 4.320 -0.000 0.000 0.214 280 A C 2.102 179.778 177.584 0.154 0.000 1.183 280 A CA 0.829 53.040 52.037 0.289 0.000 0.622 280 A CB -0.995 18.107 19.000 0.169 0.000 0.824 280 A HN 0.331 nan 8.150 nan 0.000 0.444 281 L N -0.497 120.813 121.223 0.145 0.000 2.046 281 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 281 L C 2.883 179.896 176.870 0.238 0.000 1.077 281 L CA 1.176 56.153 54.840 0.227 0.000 0.747 281 L CB -0.540 41.645 42.059 0.210 0.000 0.896 281 L HN 0.414 nan 8.230 nan 0.000 0.432 282 Q N -0.491 119.391 119.800 0.137 0.000 2.084 282 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 282 Q C 2.222 178.274 176.000 0.087 0.000 0.978 282 Q CA 2.064 57.927 55.803 0.099 0.000 0.844 282 Q CB -0.542 28.212 28.738 0.027 0.000 0.898 282 Q HN 0.507 nan 8.270 nan 0.000 0.426 283 T N 1.060 115.672 114.554 0.096 0.000 2.821 283 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 283 T C 1.909 176.662 174.700 0.088 0.000 1.046 283 T CA 0.986 63.150 62.100 0.107 0.000 1.139 283 T CB -0.106 68.883 68.868 0.202 0.000 0.871 283 T HN 0.142 nan 8.240 nan 0.000 0.454 284 M N -0.327 119.279 119.600 0.011 0.000 2.132 284 M HA 0.054 4.534 4.480 -0.000 0.000 0.263 284 M C 0.905 177.047 176.300 -0.264 0.000 1.065 284 M CA 1.761 56.960 55.300 -0.169 0.000 1.122 284 M CB 0.046 32.337 32.600 -0.515 0.000 1.365 284 M HN 0.217 nan 8.290 nan 0.000 0.411 285 F N -2.188 117.815 119.950 0.089 0.000 2.746 285 F HA 0.395 4.922 4.527 -0.000 0.000 0.313 285 F C 1.939 177.708 175.800 -0.053 0.000 1.095 285 F CA 0.142 58.155 58.000 0.021 0.000 1.224 285 F CB -0.811 38.258 39.000 0.115 0.000 1.060 285 F HN 0.003 nan 8.300 nan 0.000 0.584 286 A N 1.744 124.623 122.820 0.099 0.000 1.873 286 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 286 A C -0.294 177.270 177.584 -0.033 0.000 1.193 286 A CA 2.045 54.104 52.037 0.037 0.000 0.629 286 A CB -1.994 17.017 19.000 0.018 0.000 0.826 286 A HN 0.193 nan 8.150 nan 0.000 0.447 287 P HA 0.132 nan 4.420 nan 0.000 0.245 287 P C 0.096 177.294 177.300 -0.170 0.000 1.206 287 P CA 0.237 63.221 63.100 -0.194 0.000 0.781 287 P CB -0.186 31.312 31.700 -0.337 0.000 0.994 288 V N 3.592 123.399 119.914 -0.179 0.000 2.599 288 V HA -0.036 4.084 4.120 -0.000 0.000 0.300 288 V C 1.524 177.651 176.094 0.054 0.000 1.034 288 V CA 1.128 63.406 62.300 -0.037 0.000 1.115 288 V CB 0.359 32.197 31.823 0.025 0.000 0.934 288 V HN 0.222 nan 8.190 nan 0.000 0.485 289 D N 3.188 123.642 120.400 0.089 0.000 2.441 289 D HA 0.157 4.797 4.640 -0.000 0.000 0.210 289 D C -0.084 176.250 176.300 0.056 0.000 1.102 289 D CA -0.097 53.948 54.000 0.075 0.000 0.840 289 D CB 0.657 41.506 40.800 0.082 0.000 0.990 289 D HN 0.333 nan 8.370 nan 0.000 0.505 290 L N 0.894 122.147 121.223 0.050 0.000 2.470 290 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 290 L C -1.801 175.050 176.870 -0.032 0.000 0.964 290 L CA -0.856 53.995 54.840 0.019 0.000 0.839 290 L CB 2.392 44.480 42.059 0.049 0.000 1.276 290 L HN -0.183 nan 8.230 nan 0.000 0.403 291 V N 6.360 126.194 119.914 -0.134 0.000 2.350 291 V HA 0.449 4.569 4.120 -0.000 0.000 0.285 291 V C -0.454 175.467 176.094 -0.289 0.000 1.014 291 V CA -0.371 61.750 62.300 -0.298 0.000 0.831 291 V CB 1.426 32.811 31.823 -0.730 0.000 1.000 291 V HN 0.560 nan 8.190 nan 0.000 0.433 292 L N 5.162 126.258 121.223 -0.213 0.000 2.287 292 L HA 0.385 4.725 4.340 -0.000 0.000 0.280 292 L C 0.830 177.567 176.870 -0.222 0.000 1.055 292 L CA -0.051 54.670 54.840 -0.199 0.000 0.863 292 L CB 1.377 43.352 42.059 -0.140 0.000 1.245 292 L HN 0.769 nan 8.230 nan 0.000 0.432 293 T N 0.189 114.590 114.554 -0.255 0.000 2.776 293 T HA 0.402 4.752 4.350 -0.000 0.000 0.292 293 T C 0.077 174.730 174.700 -0.078 0.000 0.921 293 T CA -0.665 61.339 62.100 -0.161 0.000 1.038 293 T CB 0.156 68.893 68.868 -0.218 0.000 0.910 293 T HN 0.116 nan 8.240 nan 0.000 0.536 294 V N 3.751 123.624 119.914 -0.069 0.000 2.385 294 V HA 0.600 4.720 4.120 -0.000 0.000 0.269 294 V C 1.406 177.486 176.094 -0.022 0.000 1.043 294 V CA 0.047 62.289 62.300 -0.095 0.000 0.906 294 V CB 0.178 31.960 31.823 -0.069 0.000 0.995 294 V HN 1.286 nan 8.190 nan 0.000 0.467 295 G N 3.856 112.636 108.800 -0.033 0.000 2.272 295 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.280 295 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.280 295 G C -0.191 174.740 174.900 0.051 0.000 1.067 295 G CA 0.102 45.203 45.100 0.001 0.000 0.902 295 G HN 0.903 nan 8.290 nan 0.000 0.500 296 Y N 0.834 121.128 120.300 -0.010 0.000 2.497 296 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 296 Y C 0.260 176.204 175.900 0.075 0.000 1.199 296 Y CA 0.288 58.420 58.100 0.053 0.000 1.425 296 Y CB 1.117 39.660 38.460 0.138 0.000 1.291 296 Y HN 0.264 nan 8.280 nan 0.000 0.562 297 D N 4.365 124.272 120.400 -0.823 0.000 2.738 297 D HA 0.019 4.659 4.640 -0.000 0.000 0.218 297 D C -0.306 175.619 176.300 -0.624 0.000 1.345 297 D CA -0.517 53.186 54.000 -0.495 0.000 0.943 297 D CB 0.231 40.900 40.800 -0.217 0.000 1.514 297 D HN 0.517 nan 8.370 nan 0.000 0.585 298 Y N 3.731 123.734 120.300 -0.495 0.000 2.256 298 Y HA -0.065 4.485 4.550 -0.000 0.000 0.288 298 Y C 1.957 177.746 175.900 -0.186 0.000 1.155 298 Y CA 2.193 60.144 58.100 -0.248 0.000 1.203 298 Y CB -0.231 38.227 38.460 -0.003 0.000 0.980 298 Y HN 0.532 nan 8.280 nan 0.000 0.530 299 A N -0.044 122.699 122.820 -0.129 0.000 2.024 299 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 299 A C 2.054 179.502 177.584 -0.227 0.000 1.164 299 A CA 1.723 53.650 52.037 -0.183 0.000 0.643 299 A CB -0.655 18.285 19.000 -0.100 0.000 0.806 299 A HN 0.617 nan 8.150 nan 0.000 0.451 300 E N -1.520 118.530 120.200 -0.250 0.000 2.338 300 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 300 E C 0.137 176.504 176.600 -0.388 0.000 1.007 300 E CA 0.522 56.744 56.400 -0.296 0.000 0.849 300 E CB -0.047 29.497 29.700 -0.260 0.000 0.774 300 E HN 0.531 nan 8.360 nan 0.000 0.506 301 D N -0.739 119.470 120.400 -0.318 0.000 3.068 301 D HA -0.162 4.478 4.640 -0.000 0.000 0.218 301 D C -1.095 175.116 176.300 -0.148 0.000 1.145 301 D CA 0.225 54.065 54.000 -0.268 0.000 0.896 301 D CB -0.910 39.772 40.800 -0.197 0.000 1.105 301 D HN 0.060 nan 8.370 nan 0.000 0.423 302 L N 1.607 122.780 121.223 -0.085 0.000 2.302 302 L HA 0.426 4.766 4.340 -0.000 0.000 0.285 302 L C 0.129 177.123 176.870 0.207 0.000 1.090 302 L CA -0.005 54.890 54.840 0.092 0.000 0.866 302 L CB 0.202 42.353 42.059 0.153 0.000 1.244 302 L HN 0.005 nan 8.230 nan 0.000 0.435 303 R N 5.333 125.873 120.500 0.067 0.000 2.536 303 R HA 0.407 4.747 4.340 -0.000 0.000 0.279 303 R C -1.696 174.319 176.300 -0.475 0.000 1.001 303 R CA -1.727 54.378 56.100 0.007 0.000 1.027 303 R CB 0.340 30.649 30.300 0.015 0.000 1.096 303 R HN 0.326 nan 8.270 nan 0.000 0.502 304 P HA -0.226 nan 4.420 nan 0.000 0.217 304 P C 1.254 177.712 177.300 -1.404 0.000 1.148 304 P CA 1.552 63.410 63.100 -2.071 0.000 0.828 304 P CB 0.145 31.087 31.700 -1.263 0.000 0.783 305 S N -1.611 113.670 115.700 -0.698 0.000 2.419 305 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 305 S C 1.863 176.235 174.600 -0.381 0.000 1.016 305 S CA 1.181 59.115 58.200 -0.444 0.000 0.974 305 S CB -1.303 61.746 63.200 -0.253 0.000 0.786 305 S HN 0.084 nan 8.310 nan 0.000 0.492 306 M N 0.102 119.480 119.600 -0.369 0.000 2.319 306 M HA 0.089 4.569 4.480 -0.000 0.000 0.265 306 M C 1.858 178.006 176.300 -0.254 0.000 1.068 306 M CA 1.417 56.606 55.300 -0.185 0.000 1.118 306 M CB -0.355 32.218 32.600 -0.044 0.000 1.395 306 M HN 0.804 nan 8.290 nan 0.000 0.435 307 W N -0.242 120.713 121.300 -0.575 0.000 3.278 307 W HA 0.257 4.917 4.660 -0.000 0.000 0.308 307 W C 0.000 176.224 176.519 -0.492 0.000 1.253 307 W CA -0.382 56.301 57.345 -1.104 0.000 1.759 307 W CB -0.627 27.968 29.460 -1.442 0.000 1.093 307 W HN -0.023 nan 8.180 nan 0.000 0.648 308 Q N 2.664 122.245 119.800 -0.364 0.000 3.027 308 Q HA 0.146 4.486 4.340 -0.000 0.000 0.260 308 Q C -0.463 175.500 176.000 -0.061 0.000 1.379 308 Q CA 0.376 56.079 55.803 -0.167 0.000 1.038 308 Q CB 0.022 28.600 28.738 -0.266 0.000 1.578 308 Q HN -0.120 nan 8.270 nan 0.000 0.571 309 K N 0.461 120.880 120.400 0.031 0.000 2.378 309 K HA 0.614 4.933 4.320 -0.000 0.000 0.252 309 K C 0.389 177.030 176.600 0.068 0.000 0.931 309 K CA -0.090 56.233 56.287 0.060 0.000 0.794 309 K CB 1.972 34.551 32.500 0.132 0.000 1.181 309 K HN 0.480 nan 8.250 nan 0.000 0.425 310 G N 2.666 111.488 108.800 0.037 0.000 2.536 310 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.280 310 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.280 310 G C 0.150 175.066 174.900 0.027 0.000 1.152 310 G CA 0.119 45.235 45.100 0.027 0.000 0.970 310 G HN 0.766 nan 8.290 nan 0.000 0.549 311 I N -0.287 120.301 120.570 0.030 0.000 2.823 311 I HA 0.625 4.795 4.170 -0.000 0.000 0.290 311 I C 0.346 176.488 176.117 0.042 0.000 1.091 311 I CA -0.790 60.529 61.300 0.030 0.000 1.365 311 I CB 0.695 38.713 38.000 0.030 0.000 1.427 311 I HN 0.416 nan 8.210 nan 0.000 0.583 312 E N 3.712 123.934 120.200 0.037 0.000 2.452 312 E HA 0.125 4.474 4.350 -0.000 0.000 0.261 312 E C -0.820 175.814 176.600 0.057 0.000 0.987 312 E CA 0.361 56.787 56.400 0.044 0.000 0.926 312 E CB 0.510 30.230 29.700 0.033 0.000 0.934 312 E HN 0.487 nan 8.360 nan 0.000 0.452 313 K N 1.953 122.397 120.400 0.075 0.000 2.259 313 K HA 0.334 4.654 4.320 -0.000 0.000 0.249 313 K C -0.171 176.471 176.600 0.070 0.000 0.942 313 K CA -0.884 55.449 56.287 0.075 0.000 0.816 313 K CB 1.530 34.089 32.500 0.098 0.000 1.155 313 K HN 0.047 nan 8.250 nan 0.000 0.428 314 K N 1.333 121.762 120.400 0.049 0.000 2.144 314 K HA 0.293 4.613 4.320 -0.000 0.000 0.270 314 K C -0.219 176.394 176.600 0.021 0.000 1.005 314 K CA -0.340 55.972 56.287 0.043 0.000 0.932 314 K CB 1.371 33.893 32.500 0.036 0.000 1.021 314 K HN 0.841 nan 8.250 nan 0.000 0.462 315 T N -2.166 112.408 114.554 0.033 0.000 2.863 315 T HA 0.561 4.911 4.350 -0.000 0.000 0.285 315 T C -0.306 174.379 174.700 -0.026 0.000 1.009 315 T CA -0.872 61.229 62.100 0.002 0.000 0.989 315 T CB 1.337 70.305 68.868 0.168 0.000 1.004 315 T HN 0.105 nan 8.240 nan 0.000 0.455 316 V N 2.888 122.754 119.914 -0.081 0.000 2.444 316 V HA 0.562 4.681 4.120 -0.000 0.000 0.294 316 V C 0.164 176.158 176.094 -0.165 0.000 1.022 316 V CA -0.980 61.249 62.300 -0.118 0.000 0.850 316 V CB 1.514 33.266 31.823 -0.118 0.000 0.992 316 V HN 0.970 nan 8.190 nan 0.000 0.426 317 R N 4.548 124.938 120.500 -0.182 0.000 2.265 317 R HA 0.721 5.061 4.340 -0.000 0.000 0.319 317 R C -1.462 174.691 176.300 -0.247 0.000 1.006 317 R CA -0.508 55.492 56.100 -0.166 0.000 0.880 317 R CB 0.965 31.122 30.300 -0.238 0.000 1.077 317 R HN 0.671 nan 8.270 nan 0.000 0.454 318 I N 2.811 123.212 120.570 -0.282 0.000 2.410 318 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 318 I C -0.598 175.405 176.117 -0.189 0.000 1.009 318 I CA -0.103 60.962 61.300 -0.391 0.000 1.111 318 I CB 2.050 39.566 38.000 -0.808 0.000 1.262 318 I HN 0.534 nan 8.210 nan 0.000 0.443 319 S N 6.710 122.326 115.700 -0.140 0.000 2.537 319 S HA 0.553 5.022 4.470 -0.000 0.000 0.271 319 S C -2.679 171.870 174.600 -0.085 0.000 1.148 319 S CA -1.019 57.139 58.200 -0.070 0.000 0.868 319 S CB 2.041 65.244 63.200 0.005 0.000 1.115 319 S HN 0.354 nan 8.310 nan 0.000 0.461 320 P HA 0.207 nan 4.420 nan 0.000 0.243 320 P C -0.199 177.075 177.300 -0.043 0.000 1.668 320 P CA 0.084 63.139 63.100 -0.075 0.000 0.898 320 P CB -0.916 30.744 31.700 -0.065 0.000 1.637 321 T N -4.123 110.413 114.554 -0.030 0.000 2.900 321 T HA 0.405 4.755 4.350 -0.000 0.000 0.303 321 T C -0.273 174.421 174.700 -0.011 0.000 1.142 321 T CA -0.786 61.307 62.100 -0.012 0.000 1.007 321 T CB 1.200 70.069 68.868 0.003 0.000 1.156 321 T HN -0.227 nan 8.240 nan 0.000 0.490 322 V N 2.697 122.607 119.914 -0.006 0.000 2.740 322 V HA 0.189 4.309 4.120 -0.000 0.000 0.303 322 V C 1.073 177.165 176.094 -0.004 0.000 1.054 322 V CA -0.594 61.701 62.300 -0.009 0.000 1.106 322 V CB 0.335 32.155 31.823 -0.005 0.000 0.957 322 V HN 1.001 nan 8.190 nan 0.000 0.486 323 N N 6.674 125.362 118.700 -0.019 0.000 2.386 323 N HA 0.014 4.754 4.740 -0.000 0.000 0.273 323 N C -1.000 174.505 175.510 -0.008 0.000 1.331 323 N CA -1.159 51.881 53.050 -0.016 0.000 0.891 323 N CB 0.852 39.292 38.487 -0.077 0.000 1.139 323 N HN 0.448 nan 8.380 nan 0.000 0.487 324 P HA 0.057 nan 4.420 nan 0.000 0.240 324 P C 0.296 177.590 177.300 -0.010 0.000 1.190 324 P CA 0.670 63.776 63.100 0.010 0.000 0.781 324 P CB 0.039 31.758 31.700 0.032 0.000 0.931 325 I N -3.427 117.124 120.570 -0.032 0.000 2.976 325 I HA 0.405 4.575 4.170 -0.000 0.000 0.328 325 I C -1.893 174.171 176.117 -0.089 0.000 1.396 325 I CA -2.523 58.721 61.300 -0.093 0.000 0.869 325 I CB 1.215 39.067 38.000 -0.247 0.000 2.156 325 I HN -0.326 nan 8.210 nan 0.000 0.595 326 P HA -0.196 nan 4.420 nan 0.000 0.222 326 P C 1.512 178.776 177.300 -0.060 0.000 1.147 326 P CA 1.139 64.198 63.100 -0.068 0.000 0.790 326 P CB 0.123 31.787 31.700 -0.060 0.000 0.780 327 R N 0.255 120.718 120.500 -0.062 0.000 2.105 327 R HA -0.086 4.254 4.340 -0.000 0.000 0.239 327 R C 1.773 178.032 176.300 -0.069 0.000 1.135 327 R CA 1.531 57.597 56.100 -0.057 0.000 0.967 327 R CB -0.341 29.929 30.300 -0.050 0.000 0.861 327 R HN 0.057 nan 8.270 nan 0.000 0.442 328 V N -1.006 118.844 119.914 -0.107 0.000 2.672 328 V HA 0.022 4.142 4.120 -0.000 0.000 0.242 328 V C -0.011 176.049 176.094 -0.056 0.000 1.059 328 V CA 0.520 62.739 62.300 -0.136 0.000 1.081 328 V CB 0.049 31.679 31.823 -0.321 0.000 0.752 328 V HN 0.217 nan 8.190 nan 0.000 0.472 329 Y N 2.076 122.261 120.300 -0.192 0.000 2.332 329 Y HA 0.564 5.114 4.550 -0.000 0.000 0.326 329 Y C -0.165 175.680 175.900 -0.092 0.000 0.978 329 Y CA -1.974 56.042 58.100 -0.140 0.000 1.205 329 Y CB 0.869 39.243 38.460 -0.144 0.000 1.131 329 Y HN 0.027 nan 8.280 nan 0.000 0.462 330 R N 7.630 128.134 120.500 0.006 0.000 2.396 330 R HA 0.312 4.652 4.340 -0.000 0.000 0.292 330 R C -2.702 173.496 176.300 -0.170 0.000 1.240 330 R CA -1.667 54.354 56.100 -0.131 0.000 1.270 330 R CB 0.966 31.237 30.300 -0.048 0.000 1.108 330 R HN 0.491 nan 8.270 nan 0.000 0.573 331 P HA 0.026 nan 4.420 nan 0.000 0.269 331 P C 0.090 177.313 177.300 -0.128 0.000 1.209 331 P CA -0.150 62.768 63.100 -0.304 0.000 0.776 331 P CB 1.221 32.606 31.700 -0.525 0.000 0.876 332 D N 0.172 120.544 120.400 -0.047 0.000 2.117 332 D HA -0.033 4.607 4.640 -0.000 0.000 0.198 332 D C 0.340 176.619 176.300 -0.035 0.000 0.982 332 D CA 1.462 55.447 54.000 -0.025 0.000 0.828 332 D CB 0.293 41.096 40.800 0.006 0.000 0.967 332 D HN 0.128 nan 8.370 nan 0.000 0.464 333 V N 1.287 121.172 119.914 -0.049 0.000 2.531 333 V HA 0.190 4.310 4.120 -0.000 0.000 0.301 333 V C -0.697 175.343 176.094 -0.091 0.000 1.034 333 V CA -0.889 61.387 62.300 -0.040 0.000 0.865 333 V CB 2.325 34.150 31.823 0.003 0.000 0.995 333 V HN -0.133 nan 8.190 nan 0.000 0.424 334 D N 3.419 123.769 120.400 -0.082 0.000 2.381 334 D HA 0.487 5.127 4.640 -0.000 0.000 0.235 334 D C -0.800 175.473 176.300 -0.046 0.000 1.068 334 D CA -0.101 53.834 54.000 -0.107 0.000 0.832 334 D CB 1.944 42.674 40.800 -0.117 0.000 1.101 334 D HN 0.282 nan 8.370 nan 0.000 0.515 335 V N 4.515 124.382 119.914 -0.078 0.000 2.293 335 V HA 0.258 4.378 4.120 -0.000 0.000 0.275 335 V C 0.168 176.224 176.094 -0.063 0.000 1.021 335 V CA -0.841 61.453 62.300 -0.011 0.000 0.815 335 V CB 1.467 33.250 31.823 -0.066 0.000 1.025 335 V HN 0.317 nan 8.190 nan 0.000 0.448 336 V N 4.822 124.735 119.914 -0.001 0.000 2.304 336 V HA 0.662 4.782 4.120 -0.000 0.000 0.269 336 V C 0.285 176.292 176.094 -0.146 0.000 1.036 336 V CA 0.385 62.650 62.300 -0.057 0.000 0.840 336 V CB 0.855 32.671 31.823 -0.012 0.000 1.036 336 V HN 0.994 nan 8.190 nan 0.000 0.466 337 T N 2.696 117.091 114.554 -0.264 0.000 2.677 337 T HA 0.218 4.568 4.350 -0.000 0.000 0.305 337 T C -1.649 172.846 174.700 -0.343 0.000 1.569 337 T CA -0.639 61.168 62.100 -0.488 0.000 0.984 337 T CB 1.718 69.888 68.868 -1.164 0.000 1.629 337 T HN 0.721 nan 8.240 nan 0.000 0.494 338 D N 0.520 120.705 120.400 -0.358 0.000 2.382 338 D HA 0.347 4.987 4.640 -0.000 0.000 0.245 338 D C 1.439 177.650 176.300 -0.149 0.000 1.120 338 D CA -0.074 53.809 54.000 -0.196 0.000 0.890 338 D CB 0.987 41.700 40.800 -0.146 0.000 1.201 338 D HN 0.211 nan 8.370 nan 0.000 0.433 339 V N 3.691 123.565 119.914 -0.067 0.000 2.270 339 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 339 V C 2.203 178.342 176.094 0.075 0.000 1.043 339 V CA 1.254 63.559 62.300 0.007 0.000 1.014 339 V CB -0.742 31.080 31.823 -0.002 0.000 0.645 339 V HN 0.617 nan 8.190 nan 0.000 0.447 340 L N 1.057 122.299 121.223 0.031 0.000 2.042 340 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 340 L C 2.443 179.341 176.870 0.046 0.000 1.076 340 L CA 2.465 57.328 54.840 0.039 0.000 0.749 340 L CB -1.071 41.001 42.059 0.021 0.000 0.893 340 L HN 0.246 nan 8.230 nan 0.000 0.432 341 A N -1.003 121.825 122.820 0.014 0.000 1.933 341 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 341 A C 2.269 179.920 177.584 0.111 0.000 1.175 341 A CA 1.807 53.867 52.037 0.038 0.000 0.628 341 A CB -1.180 17.777 19.000 -0.071 0.000 0.814 341 A HN 0.595 nan 8.150 nan 0.000 0.444 342 F N 0.953 120.839 119.950 -0.107 0.000 2.075 342 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 342 F C 2.109 178.000 175.800 0.151 0.000 1.113 342 F CA 2.157 60.177 58.000 0.033 0.000 1.218 342 F CB -0.518 38.421 39.000 -0.102 0.000 0.984 342 F HN 0.013 nan 8.300 nan 0.000 0.472 343 V N 0.584 120.427 119.914 -0.119 0.000 2.407 343 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 343 V C 2.294 178.332 176.094 -0.093 0.000 1.055 343 V CA 2.281 64.460 62.300 -0.201 0.000 1.049 343 V CB -0.789 31.047 31.823 0.022 0.000 0.662 343 V HN 0.382 nan 8.190 nan 0.000 0.455 344 E N -0.777 119.427 120.200 0.007 0.000 2.072 344 E HA -0.226 4.123 4.350 -0.000 0.000 0.191 344 E C 2.168 178.827 176.600 0.098 0.000 0.985 344 E CA 1.279 57.708 56.400 0.048 0.000 0.801 344 E CB -0.231 29.509 29.700 0.067 0.000 0.750 344 E HN 0.771 nan 8.360 nan 0.000 0.452 345 H N -1.137 117.959 119.070 0.042 0.000 2.421 345 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 345 H C 1.838 177.135 175.328 -0.052 0.000 1.087 345 H CA 0.824 56.898 56.048 0.044 0.000 1.330 345 H CB 0.115 29.998 29.762 0.201 0.000 1.388 345 H HN 0.133 nan 8.280 nan 0.000 0.526 346 F N 1.553 121.326 119.950 -0.294 0.000 2.206 346 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 346 F C 2.375 178.007 175.800 -0.280 0.000 1.090 346 F CA 0.941 58.680 58.000 -0.434 0.000 1.323 346 F CB -0.063 38.461 39.000 -0.793 0.000 1.028 346 F HN 0.140 nan 8.300 nan 0.000 0.492 347 E N -0.262 119.886 120.200 -0.087 0.000 2.070 347 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 347 E C 2.192 178.679 176.600 -0.189 0.000 1.004 347 E CA 2.101 58.424 56.400 -0.128 0.000 0.805 347 E CB -0.807 28.862 29.700 -0.052 0.000 0.744 347 E HN 0.332 nan 8.360 nan 0.000 0.451 348 T N 0.997 115.483 114.554 -0.114 0.000 2.746 348 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 348 T C 1.860 176.454 174.700 -0.176 0.000 1.039 348 T CA 1.508 63.546 62.100 -0.102 0.000 1.142 348 T CB -0.160 68.693 68.868 -0.026 0.000 0.866 348 T HN 0.271 nan 8.240 nan 0.000 0.444 349 A N 1.362 124.043 122.820 -0.232 0.000 2.067 349 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 349 A C 2.220 179.390 177.584 -0.689 0.000 1.156 349 A CA 1.503 53.342 52.037 -0.329 0.000 0.683 349 A CB -0.502 18.323 19.000 -0.292 0.000 0.808 349 A HN 0.570 nan 8.150 nan 0.000 0.455 350 T N -4.227 109.768 114.554 -0.932 0.000 3.215 350 T HA 0.562 4.912 4.350 -0.000 0.000 0.271 350 T C 1.305 175.491 174.700 -0.856 0.000 1.012 350 T CA 0.624 61.773 62.100 -1.584 0.000 0.899 350 T CB 0.388 68.413 68.868 -1.406 0.000 1.089 350 T HN 0.356 nan 8.240 nan 0.000 0.552 351 A N 2.291 124.828 122.820 -0.471 0.000 1.933 351 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 351 A C 2.354 179.870 177.584 -0.112 0.000 1.175 351 A CA 1.555 53.459 52.037 -0.221 0.000 0.628 351 A CB -0.664 18.249 19.000 -0.146 0.000 0.814 351 A HN 0.775 nan 8.150 nan 0.000 0.444 352 S N -1.599 114.067 115.700 -0.057 0.000 2.575 352 S HA 0.439 4.909 4.470 -0.000 0.000 0.237 352 S C -0.163 174.571 174.600 0.222 0.000 0.975 352 S CA -0.713 57.528 58.200 0.067 0.000 0.960 352 S CB -0.293 62.946 63.200 0.066 0.000 0.822 352 S HN 0.091 nan 8.310 nan 0.000 0.472 353 F N 3.038 122.950 119.950 -0.063 0.000 2.418 353 F HA 0.613 5.139 4.527 -0.000 0.000 0.341 353 F C 1.402 177.178 175.800 -0.040 0.000 1.120 353 F CA -1.330 56.635 58.000 -0.058 0.000 1.232 353 F CB 0.028 38.981 39.000 -0.079 0.000 1.175 353 F HN 0.227 nan 8.300 nan 0.000 0.569 354 G N 0.921 109.794 108.800 0.121 0.000 2.415 354 G HA2 0.480 4.440 3.960 -0.000 0.000 0.269 354 G HA3 0.480 4.440 3.960 -0.000 0.000 0.269 354 G C -0.405 174.533 174.900 0.062 0.000 1.209 354 G CA -0.386 44.749 45.100 0.059 0.000 0.835 354 G HN 0.902 nan 8.290 nan 0.000 0.534 355 A N 2.057 124.906 122.820 0.049 0.000 2.547 355 A HA 0.399 4.719 4.320 -0.000 0.000 0.233 355 A C 0.694 178.291 177.584 0.022 0.000 1.067 355 A CA 0.208 52.270 52.037 0.042 0.000 0.763 355 A CB 0.301 19.322 19.000 0.036 0.000 1.007 355 A HN 0.544 nan 8.150 nan 0.000 0.506 356 K N 1.101 121.514 120.400 0.021 0.000 2.095 356 K HA 0.308 4.628 4.320 -0.000 0.000 0.252 356 K C -0.376 176.223 176.600 -0.002 0.000 0.977 356 K CA -0.651 55.630 56.287 -0.010 0.000 0.900 356 K CB 0.752 33.247 32.500 -0.008 0.000 1.060 356 K HN 0.693 nan 8.250 nan 0.000 0.449 357 Q N 2.179 121.956 119.800 -0.037 0.000 2.295 357 Q HA 0.116 4.456 4.340 -0.000 0.000 0.259 357 Q C 0.293 176.357 176.000 0.107 0.000 0.976 357 Q CA 0.013 55.832 55.803 0.028 0.000 0.923 357 Q CB 0.712 29.470 28.738 0.033 0.000 1.185 357 Q HN 0.472 nan 8.270 nan 0.000 0.410 358 R N 2.170 122.773 120.500 0.172 0.000 2.500 358 R HA 0.369 4.709 4.340 -0.000 0.000 0.277 358 R C 0.263 176.761 176.300 0.331 0.000 1.026 358 R CA -0.692 55.556 56.100 0.246 0.000 1.058 358 R CB 0.727 31.101 30.300 0.122 0.000 1.078 358 R HN 0.641 nan 8.270 nan 0.000 0.509 359 H N 0.004 119.269 119.070 0.324 0.000 2.546 359 H HA 0.169 4.725 4.556 -0.000 0.000 0.365 359 H C -1.025 174.399 175.328 0.159 0.000 1.220 359 H CA -0.567 55.565 56.048 0.142 0.000 1.386 359 H CB 0.924 30.653 29.762 -0.055 0.000 1.510 359 H HN 0.623 nan 8.280 nan 0.000 0.591 360 D N 1.552 122.022 120.400 0.117 0.000 2.274 360 D HA 0.173 4.813 4.640 -0.000 0.000 0.239 360 D C 0.677 176.964 176.300 -0.021 0.000 1.104 360 D CA -0.639 53.366 54.000 0.010 0.000 0.840 360 D CB 0.394 41.215 40.800 0.035 0.000 1.100 360 D HN 0.676 nan 8.370 nan 0.000 0.477 361 I N 0.298 120.759 120.570 -0.180 0.000 3.817 361 I HA 0.304 4.474 4.170 -0.000 0.000 0.325 361 I C 1.002 177.023 176.117 -0.160 0.000 1.550 361 I CA -0.505 60.688 61.300 -0.177 0.000 1.100 361 I CB 0.692 38.469 38.000 -0.371 0.000 1.216 361 I HN 0.014 nan 8.210 nan 0.000 0.481 362 E N 2.416 122.549 120.200 -0.111 0.000 2.130 362 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 362 E C -0.441 176.137 176.600 -0.037 0.000 0.998 362 E CA 1.605 57.958 56.400 -0.078 0.000 0.806 362 E CB -1.501 28.173 29.700 -0.043 0.000 0.738 362 E HN 0.480 nan 8.360 nan 0.000 0.459 363 P HA -0.142 nan 4.420 nan 0.000 0.215 363 P C 1.712 179.014 177.300 0.004 0.000 1.153 363 P CA 0.782 63.960 63.100 0.131 0.000 0.853 363 P CB -0.064 31.797 31.700 0.268 0.000 0.788 364 L N -0.223 120.958 121.223 -0.070 0.000 2.056 364 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 364 L C 2.277 178.945 176.870 -0.337 0.000 1.078 364 L CA 1.779 56.383 54.840 -0.393 0.000 0.749 364 L CB -0.931 41.035 42.059 -0.157 0.000 0.901 364 L HN -0.204 nan 8.230 nan 0.000 0.433 365 R N -0.530 119.848 120.500 -0.203 0.000 2.096 365 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 365 R C 2.214 178.448 176.300 -0.110 0.000 1.127 365 R CA 1.186 57.197 56.100 -0.148 0.000 0.968 365 R CB -0.591 29.632 30.300 -0.128 0.000 0.861 365 R HN 0.531 nan 8.270 nan 0.000 0.440 366 A N 1.187 123.944 122.820 -0.106 0.000 1.873 366 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 366 A C 2.136 179.681 177.584 -0.065 0.000 1.186 366 A CA 1.351 53.353 52.037 -0.059 0.000 0.616 366 A CB -0.352 18.634 19.000 -0.025 0.000 0.823 366 A HN 0.091 nan 8.150 nan 0.000 0.442 367 R N 0.233 120.626 120.500 -0.177 0.000 2.083 367 R HA -0.049 4.290 4.340 -0.000 0.000 0.237 367 R C 1.774 178.089 176.300 0.025 0.000 1.137 367 R CA 1.919 57.919 56.100 -0.166 0.000 0.951 367 R CB -0.838 29.055 30.300 -0.678 0.000 0.851 367 R HN 0.561 nan 8.270 nan 0.000 0.434 368 I N 0.074 120.618 120.570 -0.042 0.000 2.226 368 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 368 I C 2.225 178.454 176.117 0.186 0.000 1.100 368 I CA 1.424 62.813 61.300 0.149 0.000 1.374 368 I CB -0.368 37.656 38.000 0.039 0.000 1.057 368 I HN 0.300 nan 8.210 nan 0.000 0.413 369 A N 0.049 122.915 122.820 0.076 0.000 1.972 369 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 369 A C 2.303 179.917 177.584 0.050 0.000 1.169 369 A CA 1.877 53.948 52.037 0.056 0.000 0.635 369 A CB -0.591 18.422 19.000 0.021 0.000 0.810 369 A HN 0.558 nan 8.150 nan 0.000 0.446 370 E N -1.427 118.806 120.200 0.054 0.000 2.107 370 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 370 E C 1.581 178.165 176.600 -0.026 0.000 0.982 370 E CA 0.754 57.161 56.400 0.011 0.000 0.809 370 E CB -0.230 29.469 29.700 -0.001 0.000 0.756 370 E HN 0.564 nan 8.360 nan 0.000 0.459 371 F N 1.042 120.917 119.950 -0.125 0.000 2.113 371 F HA -0.105 4.421 4.527 -0.000 0.000 0.297 371 F C 2.196 177.868 175.800 -0.214 0.000 1.103 371 F CA 1.110 58.939 58.000 -0.284 0.000 1.248 371 F CB -0.122 38.578 39.000 -0.499 0.000 0.999 371 F HN 0.037 nan 8.300 nan 0.000 0.475 372 L N -0.896 120.305 121.223 -0.037 0.000 2.131 372 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 372 L C 2.395 179.275 176.870 0.018 0.000 1.092 372 L CA 1.126 55.939 54.840 -0.044 0.000 0.759 372 L CB -0.746 41.314 42.059 0.002 0.000 0.903 372 L HN 0.121 nan 8.230 nan 0.000 0.435 373 A N -1.558 121.273 122.820 0.020 0.000 2.218 373 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 373 A C 0.648 178.242 177.584 0.016 0.000 1.168 373 A CA -0.160 51.887 52.037 0.015 0.000 0.804 373 A CB -0.344 18.660 19.000 0.007 0.000 0.834 373 A HN 0.274 nan 8.150 nan 0.000 0.482 374 D N 1.343 121.763 120.400 0.032 0.000 2.899 374 D HA -0.051 4.589 4.640 -0.000 0.000 0.254 374 D C -1.227 175.096 176.300 0.038 0.000 1.320 374 D CA -0.697 53.330 54.000 0.045 0.000 0.929 374 D CB 0.808 41.709 40.800 0.168 0.000 1.148 374 D HN 0.260 nan 8.370 nan 0.000 0.571 375 P HA -0.012 nan 4.420 nan 0.000 0.245 375 P C 0.347 177.609 177.300 -0.063 0.000 1.203 375 P CA -0.007 63.078 63.100 -0.025 0.000 0.792 375 P CB 0.263 31.943 31.700 -0.033 0.000 0.997 376 E N 0.544 120.675 120.200 -0.115 0.000 2.442 376 E HA 0.049 4.399 4.350 -0.000 0.000 0.262 376 E C -0.462 175.975 176.600 -0.271 0.000 1.004 376 E CA 0.460 56.689 56.400 -0.284 0.000 0.928 376 E CB 0.258 29.615 29.700 -0.573 0.000 0.937 376 E HN -0.080 nan 8.360 nan 0.000 0.446 377 T N 3.749 118.142 114.554 -0.268 0.000 2.767 377 T HA 0.283 4.633 4.350 -0.000 0.000 0.284 377 T C -1.195 173.373 174.700 -0.220 0.000 0.973 377 T CA -0.260 61.752 62.100 -0.147 0.000 0.996 377 T CB 0.120 68.939 68.868 -0.083 0.000 0.927 377 T HN 0.259 nan 8.240 nan 0.000 0.456 378 Y N 0.947 121.220 120.300 -0.045 0.000 2.403 378 Y HA 0.474 5.024 4.550 -0.000 0.000 0.323 378 Y C 1.747 177.622 175.900 -0.042 0.000 1.226 378 Y CA -0.650 57.426 58.100 -0.041 0.000 1.235 378 Y CB 0.639 39.069 38.460 -0.049 0.000 1.248 378 Y HN 0.764 nan 8.280 nan 0.000 0.489 379 E N 0.630 120.903 120.200 0.121 0.000 2.152 379 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 379 E C 0.935 177.557 176.600 0.037 0.000 0.983 379 E CA 1.873 58.304 56.400 0.051 0.000 0.818 379 E CB -0.637 29.085 29.700 0.037 0.000 0.758 379 E HN 0.812 nan 8.360 nan 0.000 0.467 380 D N -1.191 119.234 120.400 0.042 0.000 2.232 380 D HA 0.359 4.999 4.640 -0.000 0.000 0.220 380 D C 1.324 177.604 176.300 -0.034 0.000 0.982 380 D CA 1.023 55.018 54.000 -0.009 0.000 0.892 380 D CB -0.289 40.489 40.800 -0.037 0.000 1.040 380 D HN 0.538 nan 8.370 nan 0.000 0.463 381 G N -1.054 107.715 108.800 -0.052 0.000 2.753 381 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 381 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 381 G C -0.951 173.900 174.900 -0.082 0.000 1.242 381 G CA -0.874 44.179 45.100 -0.078 0.000 0.810 381 G HN 0.012 nan 8.290 nan 0.000 0.515 382 M N 0.385 119.907 119.600 -0.129 0.000 2.163 382 M HA 0.452 4.932 4.480 -0.000 0.000 0.305 382 M C 0.292 176.405 176.300 -0.311 0.000 1.166 382 M CA -0.246 54.960 55.300 -0.156 0.000 1.132 382 M CB 0.724 33.238 32.600 -0.143 0.000 1.413 382 M HN 0.202 nan 8.290 nan 0.000 0.478 383 R N 0.444 120.706 120.500 -0.396 0.000 2.598 383 R HA 0.330 4.670 4.340 -0.000 0.000 0.279 383 R C 0.831 176.812 176.300 -0.532 0.000 0.984 383 R CA -0.436 55.327 56.100 -0.561 0.000 0.999 383 R CB 1.151 30.978 30.300 -0.788 0.000 1.114 383 R HN 0.552 nan 8.270 nan 0.000 0.493 384 V N 2.143 121.773 119.914 -0.473 0.000 2.490 384 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 384 V C 1.929 177.937 176.094 -0.144 0.000 1.061 384 V CA 2.246 64.355 62.300 -0.317 0.000 1.064 384 V CB -0.886 30.687 31.823 -0.418 0.000 0.670 384 V HN 0.830 nan 8.190 nan 0.000 0.461 385 H N -0.168 118.929 119.070 0.045 0.000 2.421 385 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 385 H C 2.140 177.424 175.328 -0.073 0.000 1.087 385 H CA 1.368 57.396 56.048 -0.034 0.000 1.330 385 H CB -0.500 29.173 29.762 -0.149 0.000 1.388 385 H HN 0.437 nan 8.280 nan 0.000 0.526 386 Q N 0.806 120.448 119.800 -0.264 0.000 2.119 386 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 386 Q C 2.490 178.452 176.000 -0.064 0.000 0.972 386 Q CA 1.369 57.103 55.803 -0.116 0.000 0.847 386 Q CB 0.086 28.747 28.738 -0.128 0.000 0.903 386 Q HN 0.385 nan 8.270 nan 0.000 0.433 387 V N 1.122 120.983 119.914 -0.088 0.000 2.261 387 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 387 V C 2.135 178.247 176.094 0.030 0.000 1.047 387 V CA 1.753 64.026 62.300 -0.044 0.000 1.015 387 V CB -0.472 31.304 31.823 -0.078 0.000 0.642 387 V HN 0.343 nan 8.190 nan 0.000 0.446 388 I N 0.427 121.043 120.570 0.076 0.000 2.286 388 I HA -0.256 3.913 4.170 -0.000 0.000 0.248 388 I C 2.305 178.497 176.117 0.126 0.000 1.115 388 I CA 2.030 63.418 61.300 0.147 0.000 1.392 388 I CB -0.418 37.723 38.000 0.234 0.000 1.065 388 I HN 0.416 nan 8.210 nan 0.000 0.418 389 D N 0.484 120.931 120.400 0.077 0.000 2.097 389 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 389 D C 2.188 178.532 176.300 0.074 0.000 0.989 389 D CA 1.626 55.666 54.000 0.066 0.000 0.827 389 D CB 0.134 40.954 40.800 0.032 0.000 0.966 389 D HN 0.167 nan 8.370 nan 0.000 0.456 390 S N -0.520 115.216 115.700 0.060 0.000 2.399 390 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 390 S C 2.018 176.686 174.600 0.113 0.000 1.022 390 S CA 0.895 59.133 58.200 0.063 0.000 0.983 390 S CB -0.249 62.969 63.200 0.030 0.000 0.803 390 S HN 0.355 nan 8.310 nan 0.000 0.480 391 M N 1.429 121.118 119.600 0.148 0.000 2.200 391 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 391 M C 1.737 178.212 176.300 0.291 0.000 1.066 391 M CA 0.851 56.315 55.300 0.273 0.000 1.127 391 M CB -0.413 32.363 32.600 0.292 0.000 1.379 391 M HN 0.195 nan 8.290 nan 0.000 0.420 392 N N 0.006 118.816 118.700 0.183 0.000 2.084 392 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 392 N C 1.668 177.244 175.510 0.110 0.000 1.030 392 N CA 1.753 54.881 53.050 0.129 0.000 0.849 392 N CB -0.804 37.746 38.487 0.106 0.000 1.012 392 N HN 0.271 nan 8.380 nan 0.000 0.423 393 T N 1.258 115.878 114.554 0.110 0.000 2.652 393 T HA -0.076 4.273 4.350 -0.000 0.000 0.267 393 T C 2.127 176.893 174.700 0.110 0.000 1.039 393 T CA 1.248 63.402 62.100 0.090 0.000 1.153 393 T CB -0.365 68.549 68.868 0.075 0.000 0.863 393 T HN -0.014 nan 8.240 nan 0.000 0.428 394 V N 1.289 121.305 119.914 0.169 0.000 2.427 394 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 394 V C 2.386 178.623 176.094 0.239 0.000 1.051 394 V CA 1.664 64.097 62.300 0.221 0.000 1.048 394 V CB -0.600 31.385 31.823 0.271 0.000 0.666 394 V HN 0.414 nan 8.190 nan 0.000 0.456 395 M N 0.793 120.504 119.600 0.186 0.000 2.132 395 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 395 M C 2.045 178.306 176.300 -0.065 0.000 1.065 395 M CA 2.021 57.229 55.300 -0.153 0.000 1.122 395 M CB -0.673 31.712 32.600 -0.358 0.000 1.365 395 M HN 0.424 nan 8.290 nan 0.000 0.411 396 E N -0.300 119.902 120.200 0.004 0.000 2.153 396 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 396 E C 1.700 178.312 176.600 0.020 0.000 0.988 396 E CA 1.543 57.950 56.400 0.011 0.000 0.811 396 E CB -0.103 29.614 29.700 0.028 0.000 0.746 396 E HN 0.734 nan 8.360 nan 0.000 0.466 397 E N 0.045 120.269 120.200 0.041 0.000 2.047 397 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 397 E C 1.951 178.573 176.600 0.038 0.000 0.987 397 E CA 1.031 57.457 56.400 0.043 0.000 0.799 397 E CB -0.088 29.648 29.700 0.059 0.000 0.752 397 E HN 0.340 nan 8.360 nan 0.000 0.449 398 A N 0.785 123.635 122.820 0.049 0.000 2.119 398 A HA 0.271 4.591 4.320 -0.000 0.000 0.216 398 A C 1.069 178.662 177.584 0.014 0.000 1.152 398 A CA 0.619 52.686 52.037 0.050 0.000 0.708 398 A CB 0.083 19.149 19.000 0.110 0.000 0.805 398 A HN 0.204 nan 8.150 nan 0.000 0.460 399 A N 0.310 123.123 122.820 -0.012 0.000 2.324 399 A HA 0.590 4.909 4.320 -0.000 0.000 0.330 399 A C -0.268 177.313 177.584 -0.006 0.000 1.165 399 A CA -0.669 51.354 52.037 -0.024 0.000 0.813 399 A CB 0.516 19.481 19.000 -0.059 0.000 1.197 399 A HN 0.218 nan 8.150 nan 0.000 0.484 400 E N 1.884 122.084 120.200 -0.001 0.000 2.418 400 E HA 0.182 4.532 4.350 -0.000 0.000 0.261 400 E C -2.224 174.378 176.600 0.005 0.000 1.070 400 E CA -1.566 54.837 56.400 0.005 0.000 0.931 400 E CB -0.190 29.515 29.700 0.008 0.000 0.954 400 E HN 0.384 nan 8.360 nan 0.000 0.439 401 P HA 0.006 nan 4.420 nan 0.000 0.264 401 P C 0.552 177.859 177.300 0.012 0.000 1.193 401 P CA 0.637 63.744 63.100 0.012 0.000 0.763 401 P CB 0.305 32.014 31.700 0.015 0.000 0.810 402 G N 1.419 110.227 108.800 0.014 0.000 2.147 402 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 402 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 402 G C -0.146 174.763 174.900 0.014 0.000 1.005 402 G CA -0.074 45.035 45.100 0.015 0.000 0.713 402 G HN 0.605 nan 8.290 nan 0.000 0.515 403 E N -1.384 118.820 120.200 0.007 0.000 2.456 403 E HA 0.651 5.001 4.350 -0.000 0.000 0.276 403 E C 0.280 176.870 176.600 -0.016 0.000 0.981 403 E CA -0.482 55.920 56.400 0.004 0.000 0.814 403 E CB 2.054 31.756 29.700 0.003 0.000 1.382 403 E HN 1.627 nan 8.360 nan 0.000 0.459 404 G N 0.307 109.092 108.800 -0.025 0.000 2.719 404 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 404 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 404 G C -0.846 174.032 174.900 -0.037 0.000 1.201 404 G CA -0.579 44.477 45.100 -0.072 0.000 0.768 404 G HN 0.380 nan 8.290 nan 0.000 0.629 405 T N 1.546 116.067 114.554 -0.055 0.000 2.879 405 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 405 T C 0.244 174.951 174.700 0.011 0.000 0.993 405 T CA -0.440 61.666 62.100 0.010 0.000 0.975 405 T CB 1.359 70.244 68.868 0.028 0.000 0.981 405 T HN 0.653 nan 8.240 nan 0.000 0.439 406 I N 3.070 123.695 120.570 0.093 0.000 2.339 406 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 406 I C -0.401 175.780 176.117 0.107 0.000 0.994 406 I CA -0.982 60.422 61.300 0.174 0.000 1.191 406 I CB 1.596 39.777 38.000 0.302 0.000 1.343 406 I HN 0.263 nan 8.210 nan 0.000 0.458 407 V N 4.992 124.961 119.914 0.092 0.000 2.483 407 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 407 V C -0.018 176.119 176.094 0.073 0.000 1.035 407 V CA -0.413 61.889 62.300 0.002 0.000 0.896 407 V CB 1.856 33.699 31.823 0.033 0.000 0.986 407 V HN 0.762 nan 8.190 nan 0.000 0.447 408 S N 2.795 118.493 115.700 -0.003 0.000 2.532 408 S HA 0.371 4.841 4.470 -0.000 0.000 0.299 408 S C -0.475 174.269 174.600 0.239 0.000 1.105 408 S CA -0.682 57.623 58.200 0.175 0.000 1.018 408 S CB 1.332 64.624 63.200 0.152 0.000 1.021 408 S HN 0.879 nan 8.310 nan 0.000 0.483 409 D N 2.164 122.806 120.400 0.404 0.000 2.325 409 D HA 0.249 4.889 4.640 -0.000 0.000 0.262 409 D C -0.123 176.333 176.300 0.260 0.000 1.263 409 D CA -0.077 54.189 54.000 0.442 0.000 1.020 409 D CB 0.467 41.574 40.800 0.512 0.000 1.117 409 D HN 0.442 nan 8.370 nan 0.000 0.545 410 I N -0.527 120.196 120.570 0.255 0.000 2.530 410 I HA 0.619 4.788 4.170 -0.000 0.000 0.297 410 I C 0.916 177.081 176.117 0.080 0.000 1.011 410 I CA -0.350 60.958 61.300 0.013 0.000 1.107 410 I CB 0.582 38.637 38.000 0.091 0.000 1.285 410 I HN 0.580 nan 8.210 nan 0.000 0.436 411 G N 3.641 112.324 108.800 -0.195 0.000 2.337 411 G HA2 0.109 4.069 3.960 -0.000 0.000 0.298 411 G HA3 0.109 4.069 3.960 -0.000 0.000 0.298 411 G C -0.285 174.515 174.900 -0.167 0.000 1.335 411 G CA -0.680 44.413 45.100 -0.011 0.000 0.875 411 G HN 0.319 nan 8.290 nan 0.000 0.579 412 F N 0.920 120.796 119.950 -0.123 0.000 2.091 412 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 412 F C 2.649 178.416 175.800 -0.055 0.000 1.103 412 F CA 2.734 60.625 58.000 -0.181 0.000 1.228 412 F CB -0.653 38.157 39.000 -0.318 0.000 0.984 412 F HN 0.505 nan 8.300 nan 0.000 0.477 413 F N 0.553 120.540 119.950 0.061 0.000 2.236 413 F HA -0.159 4.368 4.527 -0.000 0.000 0.302 413 F C 2.335 178.188 175.800 0.088 0.000 1.073 413 F CA 1.651 59.697 58.000 0.077 0.000 1.336 413 F CB -1.226 37.855 39.000 0.136 0.000 1.040 413 F HN -0.063 nan 8.300 nan 0.000 0.507 414 R N 0.616 120.382 120.500 -1.223 0.000 2.096 414 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 414 R C 2.033 177.987 176.300 -0.578 0.000 1.127 414 R CA 2.000 57.556 56.100 -0.906 0.000 0.968 414 R CB -1.004 28.707 30.300 -0.980 0.000 0.861 414 R HN 0.486 nan 8.270 nan 0.000 0.440 415 H N -1.033 117.789 119.070 -0.414 0.000 2.462 415 H HA -0.082 4.474 4.556 -0.000 0.000 0.292 415 H C 1.686 176.791 175.328 -0.370 0.000 1.049 415 H CA 1.097 56.889 56.048 -0.426 0.000 1.334 415 H CB -0.196 29.265 29.762 -0.502 0.000 1.404 415 H HN 0.248 nan 8.280 nan 0.000 0.544 416 Y N 0.872 121.043 120.300 -0.215 0.000 2.181 416 Y HA -0.135 4.414 4.550 -0.000 0.000 0.288 416 Y C 2.871 178.759 175.900 -0.019 0.000 1.146 416 Y CA 1.128 59.219 58.100 -0.014 0.000 1.164 416 Y CB -0.708 37.889 38.460 0.228 0.000 0.982 416 Y HN 0.205 nan 8.280 nan 0.000 0.515 417 G N -0.336 108.534 108.800 0.116 0.000 2.476 417 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 417 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 417 G C 1.828 176.427 174.900 -0.503 0.000 1.164 417 G CA 1.584 46.687 45.100 0.004 0.000 0.768 417 G HN 0.292 nan 8.290 nan 0.000 0.560 418 V N 0.896 120.522 119.914 -0.479 0.000 2.295 418 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 418 V C 2.932 178.731 176.094 -0.491 0.000 1.049 418 V CA 1.655 63.625 62.300 -0.550 0.000 1.024 418 V CB -0.435 31.151 31.823 -0.394 0.000 0.648 418 V HN 0.352 nan 8.190 nan 0.000 0.447 419 L N -1.671 119.210 121.223 -0.570 0.000 2.056 419 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 419 L C 2.133 178.606 176.870 -0.661 0.000 1.078 419 L CA 1.570 55.940 54.840 -0.784 0.000 0.749 419 L CB -0.353 40.853 42.059 -1.421 0.000 0.901 419 L HN 0.296 nan 8.230 nan 0.000 0.433 420 F N -0.700 119.153 119.950 -0.163 0.000 2.727 420 F HA 0.353 4.880 4.527 -0.000 0.000 0.302 420 F C 1.269 177.023 175.800 -0.076 0.000 1.107 420 F CA -0.786 57.168 58.000 -0.076 0.000 1.277 420 F CB -0.391 38.627 39.000 0.029 0.000 1.079 420 F HN -0.197 nan 8.300 nan 0.000 0.594 421 A N 1.857 124.651 122.820 -0.042 0.000 2.363 421 A HA 0.445 4.765 4.320 -0.000 0.000 0.270 421 A C 0.595 178.152 177.584 -0.045 0.000 1.121 421 A CA -0.516 51.499 52.037 -0.036 0.000 0.800 421 A CB 0.137 19.052 19.000 -0.142 0.000 1.052 421 A HN 0.338 nan 8.150 nan 0.000 0.493 422 R N 1.817 122.348 120.500 0.051 0.000 2.389 422 R HA 0.534 4.874 4.340 -0.000 0.000 0.295 422 R C -0.557 175.785 176.300 0.071 0.000 1.075 422 R CA 0.375 56.504 56.100 0.049 0.000 1.005 422 R CB 0.605 30.938 30.300 0.055 0.000 0.987 422 R HN 0.785 nan 8.270 nan 0.000 0.452 423 A N 3.654 126.511 122.820 0.061 0.000 2.411 423 A HA 0.224 4.544 4.320 -0.000 0.000 0.285 423 A C -0.914 176.702 177.584 0.055 0.000 1.129 423 A CA -0.773 51.316 52.037 0.088 0.000 0.736 423 A CB 1.588 20.663 19.000 0.124 0.000 1.186 423 A HN 0.877 nan 8.150 nan 0.000 0.445 424 D N 1.305 121.732 120.400 0.045 0.000 2.402 424 D HA 0.168 4.808 4.640 -0.000 0.000 0.216 424 D C 0.383 176.697 176.300 0.023 0.000 1.128 424 D CA 0.683 54.701 54.000 0.031 0.000 0.833 424 D CB 0.280 41.095 40.800 0.025 0.000 0.971 424 D HN 0.750 nan 8.370 nan 0.000 0.503 425 Q N -1.469 118.346 119.800 0.026 0.000 2.482 425 Q HA 0.525 4.864 4.340 -0.000 0.000 0.286 425 Q C -3.000 172.992 176.000 -0.014 0.000 1.007 425 Q CA -2.187 53.620 55.803 0.006 0.000 0.801 425 Q CB 1.443 30.193 28.738 0.020 0.000 1.455 425 Q HN -0.267 nan 8.270 nan 0.000 0.398 426 P HA -0.019 nan 4.420 nan 0.000 0.264 426 P C -0.812 176.388 177.300 -0.167 0.000 1.183 426 P CA 0.517 63.459 63.100 -0.263 0.000 0.763 426 P CB -0.056 31.398 31.700 -0.409 0.000 0.807 427 F N 0.721 120.710 119.950 0.063 0.000 3.034 427 F HA -0.197 4.330 4.527 -0.000 0.000 0.286 427 F C 1.693 177.532 175.800 0.066 0.000 0.804 427 F CA 1.146 59.182 58.000 0.060 0.000 1.161 427 F CB -2.645 36.375 39.000 0.034 0.000 1.317 427 F HN 0.472 nan 8.300 nan 0.000 0.453 428 G N -1.106 107.821 108.800 0.211 0.000 2.448 428 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 428 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 428 G C 0.267 175.310 174.900 0.239 0.000 1.135 428 G CA 0.717 45.919 45.100 0.170 0.000 0.784 428 G HN 0.337 nan 8.290 nan 0.000 0.543 429 F N 0.259 120.280 119.950 0.118 0.000 2.458 429 F HA 0.722 5.249 4.527 -0.000 0.000 0.336 429 F C -1.271 174.628 175.800 0.166 0.000 1.114 429 F CA -1.747 56.327 58.000 0.122 0.000 0.987 429 F CB 1.861 40.922 39.000 0.102 0.000 1.130 429 F HN -0.170 nan 8.300 nan 0.000 0.458 430 L N 5.513 126.419 121.223 -0.528 0.000 2.406 430 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 430 L C -0.408 176.193 176.870 -0.449 0.000 0.980 430 L CA -0.003 54.655 54.840 -0.304 0.000 0.831 430 L CB 1.894 43.895 42.059 -0.095 0.000 1.253 430 L HN 0.793 nan 8.230 nan 0.000 0.406 431 T N 1.072 115.470 114.554 -0.259 0.000 2.731 431 T HA 0.453 4.803 4.350 -0.000 0.000 0.300 431 T C -1.262 173.258 174.700 -0.299 0.000 1.283 431 T CA -0.427 61.561 62.100 -0.187 0.000 1.005 431 T CB 1.696 70.391 68.868 -0.289 0.000 1.420 431 T HN 0.366 nan 8.240 nan 0.000 0.503 432 S N 0.831 116.094 115.700 -0.728 0.000 2.404 432 S HA 0.602 5.072 4.470 -0.000 0.000 0.309 432 S C 0.946 175.419 174.600 -0.212 0.000 1.076 432 S CA -0.002 57.802 58.200 -0.661 0.000 1.095 432 S CB 0.178 62.724 63.200 -1.091 0.000 0.972 432 S HN 0.788 nan 8.310 nan 0.000 0.484 433 A N 4.446 127.218 122.820 -0.080 0.000 1.943 433 A HA 0.302 4.622 4.320 -0.000 0.000 0.213 433 A C 1.884 179.421 177.584 -0.078 0.000 1.181 433 A CA 1.045 53.071 52.037 -0.017 0.000 0.653 433 A CB -0.869 18.051 19.000 -0.133 0.000 0.833 433 A HN 0.817 nan 8.150 nan 0.000 0.451 434 G N -1.491 107.253 108.800 -0.094 0.000 2.447 434 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.211 434 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.211 434 G C 1.687 176.547 174.900 -0.067 0.000 1.184 434 G CA 1.097 46.144 45.100 -0.089 0.000 0.813 434 G HN 0.506 nan 8.290 nan 0.000 0.540 435 C N 0.180 119.446 119.300 -0.057 0.000 2.519 435 C HA 0.328 4.788 4.460 -0.000 0.000 0.281 435 C C 1.886 176.856 174.990 -0.033 0.000 1.331 435 C CA 1.224 60.224 59.018 -0.029 0.000 1.725 435 C CB -0.619 27.131 27.740 0.015 0.000 2.079 435 C HN 0.490 nan 8.230 nan 0.000 0.496 436 S N 1.232 116.888 115.700 -0.074 0.000 3.614 436 S HA -0.177 4.293 4.470 -0.000 0.000 0.360 436 S C 0.200 174.802 174.600 0.003 0.000 1.023 436 S CA 0.679 58.839 58.200 -0.068 0.000 1.114 436 S CB -1.817 61.366 63.200 -0.029 0.000 0.907 436 S HN 0.865 nan 8.310 nan 0.000 0.470 437 S N 2.111 117.860 115.700 0.081 0.000 2.516 437 S HA 0.416 4.886 4.470 -0.000 0.000 0.282 437 S C 0.643 175.426 174.600 0.305 0.000 1.286 437 S CA -0.676 57.617 58.200 0.154 0.000 1.066 437 S CB -0.121 63.222 63.200 0.238 0.000 0.884 437 S HN 0.511 nan 8.310 nan 0.000 0.491 438 F N 3.689 123.666 119.950 0.045 0.000 2.545 438 F HA 0.529 5.056 4.527 -0.000 0.000 0.348 438 F C 1.286 177.127 175.800 0.067 0.000 1.163 438 F CA -0.943 57.115 58.000 0.096 0.000 1.331 438 F CB -1.094 37.966 39.000 0.100 0.000 1.138 438 F HN 0.822 nan 8.300 nan 0.000 0.602 439 G N 2.038 110.966 108.800 0.214 0.000 2.195 439 G HA2 -0.399 3.560 3.960 -0.000 0.000 0.246 439 G HA3 -0.399 3.560 3.960 -0.000 0.000 0.246 439 G C 0.754 175.927 174.900 0.457 0.000 0.984 439 G CA 0.361 45.544 45.100 0.140 0.000 0.633 439 G HN 1.047 nan 8.290 nan 0.000 0.525 440 Y N 1.806 122.346 120.300 0.400 0.000 2.315 440 Y HA 0.059 4.608 4.550 -0.000 0.000 0.288 440 Y C 2.463 178.437 175.900 0.124 0.000 1.154 440 Y CA 2.512 60.794 58.100 0.302 0.000 1.229 440 Y CB -0.410 38.187 38.460 0.230 0.000 0.980 440 Y HN 0.259 nan 8.280 nan 0.000 0.540 441 G N 0.711 109.647 108.800 0.225 0.000 2.433 441 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 441 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 441 G C 1.719 176.617 174.900 -0.004 0.000 1.186 441 G CA 1.343 46.523 45.100 0.133 0.000 0.779 441 G HN 0.480 nan 8.290 nan 0.000 0.543 442 I N 1.881 122.464 120.570 0.021 0.000 2.099 442 I HA -0.135 4.035 4.170 -0.000 0.000 0.239 442 I C 0.076 176.116 176.117 -0.127 0.000 1.066 442 I CA 1.410 62.698 61.300 -0.020 0.000 1.324 442 I CB -1.005 36.968 38.000 -0.045 0.000 1.037 442 I HN 0.178 nan 8.210 nan 0.000 0.401 443 P HA -0.191 nan 4.420 nan 0.000 0.216 443 P C 1.332 178.383 177.300 -0.415 0.000 1.150 443 P CA 2.090 64.988 63.100 -0.338 0.000 0.837 443 P CB -0.081 31.326 31.700 -0.488 0.000 0.786 444 A N 0.281 122.780 122.820 -0.535 0.000 1.930 444 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 444 A C 2.458 179.877 177.584 -0.274 0.000 1.175 444 A CA 1.884 53.592 52.037 -0.548 0.000 0.627 444 A CB -1.433 17.044 19.000 -0.872 0.000 0.815 444 A HN 0.212 nan 8.150 nan 0.000 0.443 445 A N 0.133 122.849 122.820 -0.173 0.000 1.902 445 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 445 A C 2.102 179.652 177.584 -0.057 0.000 1.181 445 A CA 1.469 53.468 52.037 -0.063 0.000 0.623 445 A CB -0.614 18.389 19.000 0.005 0.000 0.818 445 A HN 0.485 nan 8.150 nan 0.000 0.443 446 I N -0.285 120.236 120.570 -0.082 0.000 2.163 446 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 446 I C 2.689 178.770 176.117 -0.060 0.000 1.085 446 I CA 1.352 62.622 61.300 -0.051 0.000 1.347 446 I CB -0.616 37.348 38.000 -0.060 0.000 1.044 446 I HN 0.413 nan 8.210 nan 0.000 0.408 447 G N 0.055 108.760 108.800 -0.158 0.000 2.422 447 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 447 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 447 G C 1.810 176.655 174.900 -0.091 0.000 1.140 447 G CA 0.778 45.779 45.100 -0.165 0.000 0.775 447 G HN 0.502 nan 8.290 nan 0.000 0.545 448 A N 0.079 122.846 122.820 -0.087 0.000 1.897 448 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 448 A C 2.288 179.869 177.584 -0.006 0.000 1.181 448 A CA 2.048 54.058 52.037 -0.045 0.000 0.620 448 A CB -0.391 18.585 19.000 -0.040 0.000 0.821 448 A HN 0.363 nan 8.150 nan 0.000 0.443 449 Q N -0.316 119.487 119.800 0.005 0.000 2.124 449 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 449 Q C 1.939 177.956 176.000 0.029 0.000 0.977 449 Q CA 2.008 57.827 55.803 0.027 0.000 0.850 449 Q CB -0.448 28.313 28.738 0.039 0.000 0.901 449 Q HN 0.682 nan 8.270 nan 0.000 0.429 450 M N -1.124 118.495 119.600 0.031 0.000 2.229 450 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 450 M C 1.956 178.278 176.300 0.038 0.000 1.063 450 M CA 1.324 56.651 55.300 0.045 0.000 1.114 450 M CB -0.137 32.515 32.600 0.086 0.000 1.387 450 M HN 0.297 nan 8.290 nan 0.000 0.420 451 A N 0.149 122.985 122.820 0.026 0.000 2.016 451 A HA 0.021 4.340 4.320 -0.000 0.000 0.217 451 A C 1.194 178.795 177.584 0.029 0.000 1.162 451 A CA 0.896 52.948 52.037 0.024 0.000 0.662 451 A CB -0.037 18.968 19.000 0.008 0.000 0.812 451 A HN 0.403 nan 8.150 nan 0.000 0.450 452 R N -0.553 119.963 120.500 0.028 0.000 2.629 452 R HA 0.204 4.544 4.340 -0.000 0.000 0.277 452 R C -2.282 174.035 176.300 0.028 0.000 1.637 452 R CA -1.449 54.668 56.100 0.030 0.000 1.663 452 R CB 1.171 31.490 30.300 0.031 0.000 1.228 452 R HN 0.221 nan 8.270 nan 0.000 0.632 453 P HA -0.116 nan 4.420 nan 0.000 0.220 453 P C 0.023 177.340 177.300 0.028 0.000 1.148 453 P CA 1.168 64.285 63.100 0.028 0.000 0.803 453 P CB 0.398 32.112 31.700 0.024 0.000 0.782 454 D N -0.944 119.471 120.400 0.025 0.000 2.368 454 D HA 0.083 4.723 4.640 -0.000 0.000 0.218 454 D C 0.588 176.902 176.300 0.023 0.000 1.112 454 D CA 0.281 54.295 54.000 0.024 0.000 0.834 454 D CB 0.359 41.171 40.800 0.020 0.000 0.953 454 D HN 0.366 nan 8.370 nan 0.000 0.505 455 Q N 1.003 120.817 119.800 0.023 0.000 2.274 455 Q HA 0.402 4.742 4.340 -0.000 0.000 0.260 455 Q C -2.550 173.461 176.000 0.018 0.000 0.974 455 Q CA -2.027 53.784 55.803 0.014 0.000 0.876 455 Q CB 1.910 30.654 28.738 0.009 0.000 1.297 455 Q HN -0.120 nan 8.270 nan 0.000 0.446 456 P HA 0.053 nan 4.420 nan 0.000 0.271 456 P C -0.994 176.290 177.300 -0.028 0.000 1.216 456 P CA -0.008 63.099 63.100 0.011 0.000 0.776 456 P CB 0.642 32.301 31.700 -0.067 0.000 0.881 457 T N 3.736 118.359 114.554 0.115 0.000 2.930 457 T HA 0.482 4.832 4.350 -0.000 0.000 0.313 457 T C -0.731 174.209 174.700 0.400 0.000 1.019 457 T CA -0.204 61.981 62.100 0.143 0.000 1.004 457 T CB -0.053 68.881 68.868 0.109 0.000 0.987 457 T HN 0.041 nan 8.240 nan 0.000 0.456 458 F N 2.570 122.560 119.950 0.066 0.000 2.470 458 F HA 0.766 5.292 4.527 -0.000 0.000 0.329 458 F C -0.056 175.785 175.800 0.068 0.000 1.072 458 F CA -2.204 55.838 58.000 0.069 0.000 0.989 458 F CB 1.410 40.458 39.000 0.080 0.000 1.193 458 F HN 0.285 nan 8.300 nan 0.000 0.481 459 L N 4.210 125.573 121.223 0.233 0.000 2.381 459 L HA 0.618 4.958 4.340 -0.000 0.000 0.274 459 L C -1.291 175.642 176.870 0.105 0.000 0.988 459 L CA -0.507 54.427 54.840 0.156 0.000 0.824 459 L CB 1.522 43.653 42.059 0.119 0.000 1.263 459 L HN 0.581 nan 8.230 nan 0.000 0.410 460 I N 4.770 125.432 120.570 0.153 0.000 2.412 460 I HA 0.860 5.030 4.170 -0.000 0.000 0.296 460 I C -0.695 175.474 176.117 0.087 0.000 0.987 460 I CA -0.198 61.150 61.300 0.080 0.000 1.180 460 I CB 1.415 39.525 38.000 0.184 0.000 1.340 460 I HN 0.902 nan 8.210 nan 0.000 0.455 461 A N 4.937 127.618 122.820 -0.232 0.000 2.572 461 A HA 0.798 5.117 4.320 -0.000 0.000 0.295 461 A C -0.505 176.602 177.584 -0.795 0.000 1.072 461 A CA -0.361 51.508 52.037 -0.280 0.000 0.691 461 A CB 1.310 20.363 19.000 0.088 0.000 1.291 461 A HN 0.815 nan 8.150 nan 0.000 0.404 462 G N -0.387 107.923 108.800 -0.817 0.000 2.522 462 G HA2 0.444 4.403 3.960 -0.000 0.000 0.304 462 G HA3 0.444 4.403 3.960 -0.000 0.000 0.304 462 G C 0.412 175.198 174.900 -0.190 0.000 1.210 462 G CA 0.326 45.120 45.100 -0.512 0.000 0.960 462 G HN 0.802 nan 8.290 nan 0.000 0.497 463 D N -0.452 119.860 120.400 -0.147 0.000 2.144 463 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 463 D C 2.141 178.497 176.300 0.093 0.000 0.978 463 D CA 1.231 55.153 54.000 -0.130 0.000 0.833 463 D CB -0.703 40.084 40.800 -0.021 0.000 0.961 463 D HN 0.465 nan 8.370 nan 0.000 0.470 464 G N 1.043 109.983 108.800 0.233 0.000 2.453 464 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 464 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 464 G C 1.764 176.723 174.900 0.098 0.000 1.201 464 G CA 1.262 46.545 45.100 0.304 0.000 0.784 464 G HN 0.468 nan 8.290 nan 0.000 0.545 465 G N -0.012 108.899 108.800 0.185 0.000 2.394 465 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.215 465 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.215 465 G C 1.653 176.517 174.900 -0.060 0.000 1.165 465 G CA 0.781 45.891 45.100 0.017 0.000 0.784 465 G HN 0.309 nan 8.290 nan 0.000 0.535 466 F N 0.953 120.869 119.950 -0.056 0.000 2.126 466 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 466 F C 2.374 178.178 175.800 0.006 0.000 1.096 466 F CA 1.968 59.940 58.000 -0.047 0.000 1.255 466 F CB -0.174 38.744 39.000 -0.136 0.000 0.997 466 F HN 0.273 nan 8.300 nan 0.000 0.479 467 H N -0.619 118.421 119.070 -0.050 0.000 2.512 467 H HA 0.038 4.593 4.556 -0.000 0.000 0.279 467 H C 2.439 177.576 175.328 -0.318 0.000 0.999 467 H CA 0.984 56.958 56.048 -0.123 0.000 1.283 467 H CB -0.264 29.487 29.762 -0.018 0.000 1.421 467 H HN 0.303 nan 8.280 nan 0.000 0.554 468 S N -0.679 114.753 115.700 -0.446 0.000 2.440 468 S HA -0.170 4.300 4.470 -0.000 0.000 0.238 468 S C 1.427 175.711 174.600 -0.527 0.000 1.010 468 S CA 1.647 59.455 58.200 -0.654 0.000 0.972 468 S CB -0.087 62.259 63.200 -1.424 0.000 0.774 468 S HN 0.436 nan 8.310 nan 0.000 0.501 469 N N -0.160 118.260 118.700 -0.467 0.000 2.475 469 N HA 0.236 4.976 4.740 -0.000 0.000 0.272 469 N C 0.777 176.025 175.510 -0.438 0.000 1.482 469 N CA 0.549 53.381 53.050 -0.363 0.000 0.863 469 N CB 0.586 38.976 38.487 -0.161 0.000 1.400 469 N HN 0.363 nan 8.380 nan 0.000 0.489 470 S N -1.888 113.479 115.700 -0.554 0.000 2.453 470 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 470 S C 1.721 176.130 174.600 -0.318 0.000 1.005 470 S CA 0.686 58.520 58.200 -0.610 0.000 0.949 470 S CB -0.147 62.829 63.200 -0.374 0.000 0.774 470 S HN 0.155 nan 8.310 nan 0.000 0.510 471 S N 2.155 117.701 115.700 -0.257 0.000 2.440 471 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 471 S C 1.160 175.708 174.600 -0.087 0.000 1.010 471 S CA 1.088 59.202 58.200 -0.143 0.000 0.972 471 S CB -0.411 62.713 63.200 -0.126 0.000 0.774 471 S HN 0.558 nan 8.310 nan 0.000 0.501 472 D N 0.979 121.318 120.400 -0.101 0.000 2.352 472 D HA 0.116 4.756 4.640 -0.000 0.000 0.232 472 D C 1.422 177.702 176.300 -0.033 0.000 1.055 472 D CA 0.075 54.045 54.000 -0.050 0.000 0.891 472 D CB 0.009 40.785 40.800 -0.040 0.000 0.897 472 D HN 0.356 nan 8.370 nan 0.000 0.529 473 L N 0.746 121.948 121.223 -0.034 0.000 2.079 473 L HA -0.173 4.166 4.340 -0.000 0.000 0.210 473 L C 2.563 179.452 176.870 0.031 0.000 1.081 473 L CA 1.121 55.979 54.840 0.031 0.000 0.752 473 L CB -0.197 41.905 42.059 0.072 0.000 0.896 473 L HN 0.006 nan 8.230 nan 0.000 0.433 474 E N -0.228 119.981 120.200 0.015 0.000 2.153 474 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 474 E C 1.935 178.549 176.600 0.022 0.000 0.988 474 E CA 1.777 58.189 56.400 0.020 0.000 0.811 474 E CB 0.052 29.760 29.700 0.014 0.000 0.746 474 E HN 0.449 nan 8.360 nan 0.000 0.466 475 T N 1.517 116.082 114.554 0.019 0.000 2.746 475 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 475 T C 2.072 176.788 174.700 0.026 0.000 1.039 475 T CA 1.322 63.435 62.100 0.022 0.000 1.142 475 T CB -0.189 68.692 68.868 0.020 0.000 0.866 475 T HN 0.183 nan 8.240 nan 0.000 0.444 476 I N 1.265 121.853 120.570 0.030 0.000 2.208 476 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 476 I C 2.897 179.040 176.117 0.044 0.000 1.097 476 I CA 1.163 62.488 61.300 0.041 0.000 1.363 476 I CB -0.458 37.574 38.000 0.054 0.000 1.051 476 I HN 0.212 nan 8.210 nan 0.000 0.413 477 A N 0.645 123.491 122.820 0.043 0.000 1.877 477 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 477 A C 2.416 180.020 177.584 0.033 0.000 1.186 477 A CA 1.824 53.887 52.037 0.042 0.000 0.620 477 A CB -0.664 18.360 19.000 0.041 0.000 0.822 477 A HN 0.332 nan 8.150 nan 0.000 0.443 478 R N -0.409 120.108 120.500 0.028 0.000 2.105 478 R HA -0.052 4.288 4.340 -0.000 0.000 0.239 478 R C 1.653 177.964 176.300 0.019 0.000 1.135 478 R CA 1.573 57.686 56.100 0.022 0.000 0.967 478 R CB -0.344 29.968 30.300 0.020 0.000 0.861 478 R HN 0.530 nan 8.270 nan 0.000 0.442 479 L N 0.248 121.483 121.223 0.020 0.000 2.492 479 L HA 0.044 4.383 4.340 -0.000 0.000 0.223 479 L C 0.388 177.271 176.870 0.023 0.000 1.132 479 L CA -0.007 54.843 54.840 0.017 0.000 0.850 479 L CB -0.334 41.736 42.059 0.019 0.000 0.966 479 L HN 0.313 nan 8.230 nan 0.000 0.454 480 N N 1.171 119.889 118.700 0.029 0.000 2.696 480 N HA -0.209 4.531 4.740 -0.000 0.000 0.256 480 N C -0.764 174.769 175.510 0.039 0.000 1.031 480 N CA 0.456 53.526 53.050 0.034 0.000 0.730 480 N CB -1.121 37.383 38.487 0.028 0.000 0.894 480 N HN 0.249 nan 8.380 nan 0.000 0.544 481 L N 0.921 122.171 121.223 0.045 0.000 2.264 481 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 481 L C -1.472 175.438 176.870 0.066 0.000 1.044 481 L CA -1.788 53.082 54.840 0.051 0.000 0.807 481 L CB 1.357 43.444 42.059 0.048 0.000 1.192 481 L HN 0.076 nan 8.230 nan 0.000 0.425 482 P HA 0.138 nan 4.420 nan 0.000 0.228 482 P C -0.147 177.223 177.300 0.118 0.000 1.748 482 P CA 0.099 63.251 63.100 0.087 0.000 0.909 482 P CB -0.331 31.414 31.700 0.076 0.000 1.882 483 I N 0.519 121.158 120.570 0.115 0.000 2.441 483 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 483 I C 0.509 176.703 176.117 0.129 0.000 1.049 483 I CA -0.713 60.667 61.300 0.135 0.000 1.381 483 I CB 1.465 39.529 38.000 0.107 0.000 1.409 483 I HN -0.159 nan 8.210 nan 0.000 0.523 484 V N 5.778 125.772 119.914 0.132 0.000 2.364 484 V HA 0.232 4.352 4.120 -0.000 0.000 0.272 484 V C 0.303 176.373 176.094 -0.040 0.000 1.036 484 V CA -0.358 61.946 62.300 0.007 0.000 0.880 484 V CB 0.913 32.589 31.823 -0.246 0.000 0.991 484 V HN 0.711 nan 8.190 nan 0.000 0.460 485 T N 4.793 119.305 114.554 -0.070 0.000 2.829 485 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 485 T C -0.254 174.300 174.700 -0.244 0.000 0.990 485 T CA -0.315 61.711 62.100 -0.124 0.000 1.028 485 T CB 1.654 70.456 68.868 -0.111 0.000 0.951 485 T HN 0.358 nan 8.240 nan 0.000 0.460 486 V N 4.051 123.815 119.914 -0.250 0.000 2.378 486 V HA 0.377 4.497 4.120 -0.000 0.000 0.288 486 V C -0.214 175.624 176.094 -0.427 0.000 1.016 486 V CA -0.782 61.337 62.300 -0.301 0.000 0.840 486 V CB 1.723 33.427 31.823 -0.199 0.000 0.994 486 V HN 0.690 nan 8.190 nan 0.000 0.431 487 V N 6.079 125.660 119.914 -0.555 0.000 2.333 487 V HA 0.295 4.415 4.120 -0.000 0.000 0.274 487 V C 0.131 175.891 176.094 -0.557 0.000 1.028 487 V CA -0.609 61.254 62.300 -0.729 0.000 0.851 487 V CB 1.729 32.906 31.823 -1.076 0.000 1.000 487 V HN 0.736 nan 8.190 nan 0.000 0.456 488 V N 2.556 122.155 119.914 -0.526 0.000 2.389 488 V HA 0.559 4.679 4.120 -0.000 0.000 0.264 488 V C -0.034 175.847 176.094 -0.355 0.000 1.049 488 V CA -0.334 61.724 62.300 -0.403 0.000 0.932 488 V CB 1.056 32.663 31.823 -0.361 0.000 1.011 488 V HN 0.754 nan 8.190 nan 0.000 0.475 489 N N 4.906 123.437 118.700 -0.282 0.000 2.446 489 N HA 0.409 5.148 4.740 -0.000 0.000 0.265 489 N C 0.101 175.551 175.510 -0.101 0.000 0.975 489 N CA -0.471 52.470 53.050 -0.181 0.000 0.928 489 N CB 1.584 39.983 38.487 -0.147 0.000 1.160 489 N HN 0.899 nan 8.380 nan 0.000 0.495 490 N N 2.208 120.898 118.700 -0.018 0.000 2.241 490 N HA 0.076 4.816 4.740 -0.000 0.000 0.238 490 N C -1.046 174.522 175.510 0.097 0.000 1.244 490 N CA -0.197 52.851 53.050 -0.003 0.000 0.880 490 N CB 0.076 38.531 38.487 -0.054 0.000 1.179 490 N HN 0.452 nan 8.380 nan 0.000 0.513 491 D N -0.046 120.459 120.400 0.174 0.000 2.837 491 D HA -0.134 4.506 4.640 -0.000 0.000 0.230 491 D C -0.921 175.562 176.300 0.305 0.000 1.152 491 D CA 1.214 55.379 54.000 0.274 0.000 0.736 491 D CB -1.734 39.163 40.800 0.161 0.000 1.084 491 D HN 0.449 nan 8.370 nan 0.000 0.429 492 T N 0.130 114.883 114.554 0.332 0.000 2.942 492 T HA 0.190 4.540 4.350 -0.000 0.000 0.327 492 T C -0.160 174.696 174.700 0.260 0.000 1.360 492 T CA -0.828 61.337 62.100 0.109 0.000 1.055 492 T CB 1.475 70.412 68.868 0.115 0.000 1.261 492 T HN -0.160 nan 8.240 nan 0.000 0.485 493 N N 1.910 120.656 118.700 0.076 0.000 2.605 493 N HA 0.173 4.913 4.740 -0.000 0.000 0.282 493 N C 1.450 177.075 175.510 0.192 0.000 1.206 493 N CA 0.030 53.219 53.050 0.231 0.000 1.074 493 N CB 0.695 39.278 38.487 0.160 0.000 1.434 493 N HN 0.885 nan 8.380 nan 0.000 0.506 494 G N 1.747 110.719 108.800 0.287 0.000 2.421 494 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 494 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 494 G C 1.464 176.421 174.900 0.096 0.000 1.171 494 G CA 0.069 45.347 45.100 0.298 0.000 0.775 494 G HN 0.497 nan 8.290 nan 0.000 0.543 495 L N 0.390 121.658 121.223 0.075 0.000 2.051 495 L HA -0.142 4.198 4.340 -0.000 0.000 0.214 495 L C 2.638 179.508 176.870 0.000 0.000 1.076 495 L CA 1.363 56.187 54.840 -0.026 0.000 0.758 495 L CB -0.231 41.907 42.059 0.132 0.000 0.890 495 L HN 0.154 nan 8.230 nan 0.000 0.433 496 I N -0.510 120.100 120.570 0.067 0.000 2.500 496 I HA -0.217 3.952 4.170 -0.000 0.000 0.252 496 I C 2.382 178.507 176.117 0.015 0.000 1.142 496 I CA 0.987 62.330 61.300 0.071 0.000 1.451 496 I CB -1.281 36.750 38.000 0.051 0.000 1.093 496 I HN 0.367 nan 8.210 nan 0.000 0.430 497 E N 1.430 121.628 120.200 -0.003 0.000 2.110 497 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 497 E C 2.422 178.881 176.600 -0.234 0.000 0.988 497 E CA 0.860 57.260 56.400 -0.000 0.000 0.804 497 E CB 0.031 29.835 29.700 0.173 0.000 0.745 497 E HN 0.390 nan 8.360 nan 0.000 0.458 498 L N 0.018 120.867 121.223 -0.623 0.000 1.989 498 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 498 L C 2.119 178.588 176.870 -0.670 0.000 1.071 498 L CA 1.763 55.898 54.840 -1.175 0.000 0.749 498 L CB -0.377 40.791 42.059 -1.485 0.000 0.890 498 L HN 0.320 nan 8.230 nan 0.000 0.431 499 Y N 0.293 120.352 120.300 -0.403 0.000 2.352 499 Y HA -0.234 4.316 4.550 -0.000 0.000 0.292 499 Y C 2.798 178.578 175.900 -0.201 0.000 1.136 499 Y CA 1.237 59.172 58.100 -0.275 0.000 1.227 499 Y CB -0.274 38.069 38.460 -0.194 0.000 0.991 499 Y HN 0.335 nan 8.280 nan 0.000 0.545 500 Q N -0.260 119.545 119.800 0.010 0.000 2.124 500 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 500 Q C 1.836 177.846 176.000 0.017 0.000 0.977 500 Q CA 1.377 57.230 55.803 0.085 0.000 0.850 500 Q CB -0.201 28.603 28.738 0.109 0.000 0.901 500 Q HN 0.545 nan 8.270 nan 0.000 0.429 501 N N 0.262 118.905 118.700 -0.095 0.000 2.300 501 N HA -0.031 4.708 4.740 -0.000 0.000 0.179 501 N C 1.832 177.219 175.510 -0.205 0.000 1.016 501 N CA 0.739 53.732 53.050 -0.096 0.000 0.876 501 N CB 0.119 38.565 38.487 -0.069 0.000 0.979 501 N HN 0.240 nan 8.380 nan 0.000 0.432 502 I N 0.672 121.079 120.570 -0.271 0.000 2.179 502 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 502 I C 2.456 178.346 176.117 -0.379 0.000 1.088 502 I CA 1.307 62.434 61.300 -0.288 0.000 1.357 502 I CB -0.421 37.414 38.000 -0.276 0.000 1.051 502 I HN 0.116 nan 8.210 nan 0.000 0.409 503 G N -1.116 107.470 108.800 -0.357 0.000 2.453 503 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 503 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 503 G C 1.159 175.706 174.900 -0.589 0.000 1.147 503 G CA 0.481 45.283 45.100 -0.497 0.000 0.802 503 G HN 0.485 nan 8.290 nan 0.000 0.535 504 H N -2.238 116.697 119.070 -0.224 0.000 3.360 504 H HA 0.217 4.772 4.556 -0.000 0.000 0.262 504 H C 0.474 175.785 175.328 -0.029 0.000 1.149 504 H CA -0.350 55.634 56.048 -0.107 0.000 1.181 504 H CB 0.627 30.363 29.762 -0.042 0.000 1.564 504 H HN 0.272 nan 8.280 nan 0.000 0.565 505 H N 0.351 119.483 119.070 0.103 0.000 2.899 505 H HA -0.158 4.398 4.556 -0.000 0.000 0.282 505 H C 0.040 175.421 175.328 0.088 0.000 1.198 505 H CA 1.326 57.419 56.048 0.076 0.000 1.140 505 H CB -1.338 28.460 29.762 0.060 0.000 1.317 505 H HN 0.614 nan 8.280 nan 0.000 0.375 506 R N -1.848 118.750 120.500 0.163 0.000 2.741 506 R HA 0.632 4.972 4.340 -0.000 0.000 0.276 506 R C -1.251 175.120 176.300 0.118 0.000 1.028 506 R CA -0.730 55.449 56.100 0.132 0.000 0.865 506 R CB 0.991 31.358 30.300 0.112 0.000 1.268 506 R HN -0.030 nan 8.270 nan 0.000 0.475 507 S N -0.244 115.523 115.700 0.112 0.000 2.687 507 S HA 0.379 4.849 4.470 -0.000 0.000 0.283 507 S C -1.083 173.597 174.600 0.133 0.000 1.170 507 S CA -0.520 57.746 58.200 0.111 0.000 1.008 507 S CB 0.818 64.079 63.200 0.100 0.000 1.026 507 S HN 0.636 nan 8.310 nan 0.000 0.541 508 H N 0.537 119.610 119.070 0.005 0.000 3.036 508 H HA 0.346 4.902 4.556 -0.000 0.000 0.295 508 H C -0.336 174.982 175.328 -0.017 0.000 1.124 508 H CA -0.569 55.470 56.048 -0.015 0.000 1.507 508 H CB 0.273 30.011 29.762 -0.040 0.000 1.591 508 H HN 0.439 nan 8.280 nan 0.000 0.510 509 D N 4.617 124.834 120.400 -0.306 0.000 2.144 509 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 509 D C -0.818 175.321 176.300 -0.268 0.000 0.984 509 D CA 0.711 54.577 54.000 -0.224 0.000 0.834 509 D CB -0.808 39.898 40.800 -0.157 0.000 0.955 509 D HN 0.542 nan 8.370 nan 0.000 0.465 510 P HA -0.049 nan 4.420 nan 0.000 0.221 510 P C 0.767 177.998 177.300 -0.116 0.000 1.145 510 P CA 1.289 64.243 63.100 -0.244 0.000 0.795 510 P CB 0.052 31.596 31.700 -0.259 0.000 0.775 511 A N -1.225 121.547 122.820 -0.079 0.000 2.238 511 A HA 0.147 4.467 4.320 -0.000 0.000 0.210 511 A C 1.639 179.182 177.584 -0.069 0.000 1.179 511 A CA 1.059 53.093 52.037 -0.004 0.000 0.827 511 A CB -0.446 18.607 19.000 0.087 0.000 0.856 511 A HN 0.193 nan 8.150 nan 0.000 0.488 512 V N -5.964 113.859 119.914 -0.152 0.000 3.359 512 V HA 0.343 4.463 4.120 -0.000 0.000 0.270 512 V C -0.189 175.624 176.094 -0.469 0.000 1.583 512 V CA -0.359 61.800 62.300 -0.235 0.000 1.019 512 V CB -0.113 31.655 31.823 -0.091 0.000 0.831 512 V HN 0.042 nan 8.190 nan 0.000 0.426 513 K N 1.935 122.111 120.400 -0.374 0.000 2.211 513 K HA 0.614 4.934 4.320 -0.000 0.000 0.275 513 K C -1.092 175.306 176.600 -0.337 0.000 1.024 513 K CA -0.279 55.810 56.287 -0.330 0.000 0.887 513 K CB 1.390 33.810 32.500 -0.134 0.000 1.084 513 K HN 0.319 nan 8.250 nan 0.000 0.463 514 F N -0.220 119.761 119.950 0.052 0.000 2.408 514 F HA 0.462 4.989 4.527 -0.000 0.000 0.325 514 F C 1.565 177.377 175.800 0.020 0.000 1.082 514 F CA -0.720 57.304 58.000 0.041 0.000 1.032 514 F CB 0.498 39.533 39.000 0.059 0.000 1.259 514 F HN 0.533 nan 8.300 nan 0.000 0.503 515 G N -0.497 108.432 108.800 0.214 0.000 2.588 515 G HA2 0.456 4.416 3.960 -0.000 0.000 0.281 515 G HA3 0.456 4.416 3.960 -0.000 0.000 0.281 515 G C -0.041 174.903 174.900 0.074 0.000 1.236 515 G CA -0.519 44.644 45.100 0.104 0.000 0.969 515 G HN 0.898 nan 8.290 nan 0.000 0.504 516 G N -1.854 106.957 108.800 0.018 0.000 2.442 516 G HA2 0.450 4.410 3.960 -0.000 0.000 0.249 516 G HA3 0.450 4.410 3.960 -0.000 0.000 0.249 516 G C -0.726 174.105 174.900 -0.115 0.000 1.263 516 G CA -0.056 45.032 45.100 -0.019 0.000 0.846 516 G HN 0.657 nan 8.290 nan 0.000 0.555 517 V N 2.250 122.045 119.914 -0.198 0.000 2.709 517 V HA 0.281 4.401 4.120 -0.000 0.000 0.308 517 V C -0.980 174.825 176.094 -0.481 0.000 1.062 517 V CA -0.899 61.112 62.300 -0.482 0.000 0.901 517 V CB 2.138 33.367 31.823 -0.990 0.000 1.003 517 V HN 0.785 nan 8.190 nan 0.000 0.425 518 D N 2.994 123.142 120.400 -0.419 0.000 2.467 518 D HA 0.323 4.963 4.640 -0.000 0.000 0.220 518 D C 0.415 176.542 176.300 -0.288 0.000 1.103 518 D CA -0.310 53.550 54.000 -0.233 0.000 0.886 518 D CB 0.785 41.502 40.800 -0.139 0.000 1.025 518 D HN 0.356 nan 8.370 nan 0.000 0.514 519 F N 2.037 121.923 119.950 -0.107 0.000 2.502 519 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 519 F C 2.233 177.978 175.800 -0.093 0.000 1.111 519 F CA 0.119 58.066 58.000 -0.088 0.000 1.445 519 F CB 0.098 39.008 39.000 -0.150 0.000 1.081 519 F HN 0.278 nan 8.300 nan 0.000 0.558 520 V N -0.140 119.791 119.914 0.028 0.000 2.283 520 V HA -0.249 3.871 4.120 -0.000 0.000 0.243 520 V C 2.602 178.676 176.094 -0.032 0.000 1.039 520 V CA 1.756 64.034 62.300 -0.036 0.000 1.016 520 V CB -1.290 30.500 31.823 -0.056 0.000 0.650 520 V HN 0.316 nan 8.190 nan 0.000 0.449 521 A N -0.204 122.591 122.820 -0.042 0.000 1.908 521 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 521 A C 2.202 179.768 177.584 -0.031 0.000 1.181 521 A CA 2.181 54.194 52.037 -0.041 0.000 0.627 521 A CB -0.671 18.296 19.000 -0.056 0.000 0.818 521 A HN 0.443 nan 8.150 nan 0.000 0.445 522 L N -0.387 120.810 121.223 -0.043 0.000 2.042 522 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 522 L C 2.793 179.692 176.870 0.050 0.000 1.076 522 L CA 2.132 56.969 54.840 -0.004 0.000 0.749 522 L CB -0.487 41.566 42.059 -0.010 0.000 0.893 522 L HN 0.373 nan 8.230 nan 0.000 0.432 523 A N -1.246 121.614 122.820 0.066 0.000 1.898 523 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 523 A C 2.219 179.823 177.584 0.034 0.000 1.181 523 A CA 1.804 53.881 52.037 0.067 0.000 0.620 523 A CB -0.550 18.467 19.000 0.029 0.000 0.819 523 A HN 0.554 nan 8.150 nan 0.000 0.442 524 E N -0.472 119.736 120.200 0.013 0.000 2.107 524 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 524 E C 2.163 178.772 176.600 0.014 0.000 0.982 524 E CA 0.701 57.110 56.400 0.014 0.000 0.809 524 E CB -0.215 29.488 29.700 0.005 0.000 0.756 524 E HN 0.595 nan 8.360 nan 0.000 0.459 525 A N 1.155 123.980 122.820 0.009 0.000 2.076 525 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 525 A C 1.676 179.268 177.584 0.013 0.000 1.160 525 A CA 1.170 53.210 52.037 0.006 0.000 0.653 525 A CB -0.270 18.728 19.000 -0.002 0.000 0.801 525 A HN 0.181 nan 8.150 nan 0.000 0.455 526 N N -1.178 117.535 118.700 0.022 0.000 2.280 526 N HA 0.138 4.877 4.740 -0.000 0.000 0.192 526 N C 0.928 176.456 175.510 0.030 0.000 1.109 526 N CA 0.807 53.872 53.050 0.026 0.000 0.855 526 N CB 0.455 38.963 38.487 0.035 0.000 0.974 526 N HN 0.596 nan 8.380 nan 0.000 0.482 527 G N 0.809 109.627 108.800 0.031 0.000 2.132 527 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.228 527 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.228 527 G C -0.290 174.639 174.900 0.048 0.000 1.000 527 G CA -0.149 44.972 45.100 0.035 0.000 0.693 527 G HN 0.139 nan 8.290 nan 0.000 0.515 528 V N 1.245 121.189 119.914 0.051 0.000 2.378 528 V HA 0.398 4.518 4.120 -0.000 0.000 0.288 528 V C -0.031 176.099 176.094 0.059 0.000 1.016 528 V CA -1.243 61.095 62.300 0.064 0.000 0.840 528 V CB 1.590 33.449 31.823 0.061 0.000 0.994 528 V HN 0.255 nan 8.190 nan 0.000 0.431 529 D N 3.603 124.075 120.400 0.119 0.000 2.423 529 D HA 0.580 5.220 4.640 -0.000 0.000 0.238 529 D C 0.255 176.563 176.300 0.013 0.000 1.142 529 D CA 0.621 54.715 54.000 0.157 0.000 0.884 529 D CB 1.567 42.549 40.800 0.303 0.000 1.199 529 D HN 0.846 nan 8.370 nan 0.000 0.438 530 A N 0.778 123.542 122.820 -0.093 0.000 2.588 530 A HA 0.772 5.092 4.320 -0.000 0.000 0.290 530 A C -0.581 176.845 177.584 -0.263 0.000 1.136 530 A CA -0.559 51.208 52.037 -0.450 0.000 0.681 530 A CB 2.232 21.047 19.000 -0.309 0.000 1.282 530 A HN 0.454 nan 8.150 nan 0.000 0.421 531 T N -0.837 113.512 114.554 -0.341 0.000 2.786 531 T HA 0.562 4.912 4.350 -0.000 0.000 0.316 531 T C -1.590 173.026 174.700 -0.140 0.000 1.503 531 T CA -0.537 61.484 62.100 -0.132 0.000 1.019 531 T CB 1.366 70.249 68.868 0.025 0.000 1.415 531 T HN 0.935 nan 8.240 nan 0.000 0.496 532 R N 1.809 122.264 120.500 -0.076 0.000 2.246 532 R HA 0.773 5.113 4.340 -0.000 0.000 0.332 532 R C -0.767 175.499 176.300 -0.058 0.000 0.974 532 R CA -0.459 55.597 56.100 -0.074 0.000 0.837 532 R CB 0.688 30.957 30.300 -0.053 0.000 1.145 532 R HN 0.685 nan 8.270 nan 0.000 0.467 533 A N 2.523 125.300 122.820 -0.072 0.000 2.317 533 A HA 0.396 4.716 4.320 -0.000 0.000 0.327 533 A C 0.495 178.041 177.584 -0.064 0.000 1.178 533 A CA -0.563 51.440 52.037 -0.056 0.000 0.817 533 A CB 1.413 20.381 19.000 -0.052 0.000 1.189 533 A HN 0.867 nan 8.150 nan 0.000 0.489 534 T N -1.684 112.841 114.554 -0.048 0.000 3.043 534 T HA 0.308 4.658 4.350 -0.000 0.000 0.272 534 T C 0.032 174.709 174.700 -0.038 0.000 0.990 534 T CA 0.247 62.318 62.100 -0.049 0.000 0.897 534 T CB -0.732 68.114 68.868 -0.038 0.000 1.111 534 T HN 0.916 nan 8.240 nan 0.000 0.529 535 N N -0.410 118.270 118.700 -0.033 0.000 3.020 535 N HA 0.402 5.142 4.740 -0.000 0.000 0.248 535 N C 0.337 175.833 175.510 -0.023 0.000 1.480 535 N CA -1.165 51.871 53.050 -0.024 0.000 0.874 535 N CB 0.904 39.381 38.487 -0.016 0.000 1.433 535 N HN -0.190 nan 8.380 nan 0.000 0.530 536 R N -0.178 120.312 120.500 -0.016 0.000 2.119 536 R HA -0.190 4.150 4.340 -0.000 0.000 0.246 536 R C 1.245 177.540 176.300 -0.008 0.000 1.146 536 R CA 1.955 58.048 56.100 -0.012 0.000 0.962 536 R CB -0.214 30.083 30.300 -0.005 0.000 0.863 536 R HN 0.728 nan 8.270 nan 0.000 0.442 537 E N 0.594 120.789 120.200 -0.008 0.000 2.046 537 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 537 E C 1.766 178.363 176.600 -0.005 0.000 0.982 537 E CA 1.009 57.406 56.400 -0.005 0.000 0.800 537 E CB 0.187 29.883 29.700 -0.006 0.000 0.756 537 E HN 0.378 nan 8.360 nan 0.000 0.449 538 E N 0.342 120.537 120.200 -0.008 0.000 2.077 538 E HA -0.204 4.145 4.350 -0.000 0.000 0.193 538 E C 2.149 178.746 176.600 -0.005 0.000 0.989 538 E CA 0.758 57.155 56.400 -0.006 0.000 0.800 538 E CB -0.052 29.640 29.700 -0.013 0.000 0.746 538 E HN 0.153 nan 8.360 nan 0.000 0.452 539 L N 0.990 122.203 121.223 -0.016 0.000 2.056 539 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 539 L C 2.040 178.905 176.870 -0.009 0.000 1.078 539 L CA 1.470 56.296 54.840 -0.022 0.000 0.749 539 L CB -0.337 41.700 42.059 -0.038 0.000 0.901 539 L HN 0.108 nan 8.230 nan 0.000 0.433 540 L N -0.640 120.583 121.223 0.000 0.000 2.083 540 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 540 L C 2.607 179.482 176.870 0.009 0.000 1.083 540 L CA 1.184 56.031 54.840 0.011 0.000 0.752 540 L CB -0.820 41.248 42.059 0.015 0.000 0.899 540 L HN 0.389 nan 8.230 nan 0.000 0.433 541 A N -0.321 122.503 122.820 0.007 0.000 1.929 541 A HA -0.063 4.256 4.320 -0.000 0.000 0.216 541 A C 2.477 180.067 177.584 0.009 0.000 1.176 541 A CA 1.482 53.521 52.037 0.004 0.000 0.628 541 A CB -0.517 18.486 19.000 0.005 0.000 0.816 541 A HN 0.387 nan 8.150 nan 0.000 0.444 542 A N -0.347 122.498 122.820 0.043 0.000 1.930 542 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 542 A C 2.096 179.750 177.584 0.116 0.000 1.176 542 A CA 1.181 53.302 52.037 0.141 0.000 0.632 542 A CB -0.510 18.586 19.000 0.160 0.000 0.819 542 A HN 0.431 nan 8.150 nan 0.000 0.445 543 L N -1.057 120.173 121.223 0.012 0.000 2.131 543 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 543 L C 2.838 179.668 176.870 -0.068 0.000 1.092 543 L CA 1.202 55.990 54.840 -0.088 0.000 0.759 543 L CB -0.353 41.640 42.059 -0.110 0.000 0.903 543 L HN 0.340 nan 8.230 nan 0.000 0.435 544 R N -0.202 120.282 120.500 -0.028 0.000 2.075 544 R HA -0.130 4.210 4.340 -0.000 0.000 0.226 544 R C 2.325 178.582 176.300 -0.072 0.000 1.114 544 R CA 0.980 57.071 56.100 -0.015 0.000 0.972 544 R CB -0.118 30.180 30.300 -0.002 0.000 0.869 544 R HN 0.226 nan 8.270 nan 0.000 0.437 545 K N 0.314 120.632 120.400 -0.138 0.000 2.002 545 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 545 K C 2.062 178.418 176.600 -0.406 0.000 1.048 545 K CA 1.772 57.899 56.287 -0.267 0.000 0.930 545 K CB -0.385 31.906 32.500 -0.349 0.000 0.714 545 K HN 0.216 nan 8.250 nan 0.000 0.438 546 G N 0.467 108.973 108.800 -0.489 0.000 2.469 546 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 546 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 546 G C 1.578 176.403 174.900 -0.125 0.000 1.150 546 G CA 1.097 45.971 45.100 -0.377 0.000 0.763 546 G HN 0.481 nan 8.290 nan 0.000 0.561 547 A N 0.152 122.941 122.820 -0.052 0.000 2.067 547 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 547 A C 2.054 179.660 177.584 0.038 0.000 1.158 547 A CA 1.773 53.858 52.037 0.080 0.000 0.661 547 A CB -0.171 18.941 19.000 0.186 0.000 0.801 547 A HN 0.447 nan 8.150 nan 0.000 0.452 548 E N -1.397 118.784 120.200 -0.033 0.000 2.481 548 E HA 0.150 4.500 4.350 -0.000 0.000 0.198 548 E C 1.295 177.862 176.600 -0.054 0.000 1.027 548 E CA -0.254 56.126 56.400 -0.033 0.000 0.900 548 E CB 0.191 29.865 29.700 -0.044 0.000 0.993 548 E HN 0.426 nan 8.360 nan 0.000 0.482 549 L N -0.105 121.064 121.223 -0.090 0.000 2.395 549 L HA 0.134 4.474 4.340 -0.000 0.000 0.218 549 L C 1.347 178.194 176.870 -0.038 0.000 1.130 549 L CA 1.390 56.168 54.840 -0.102 0.000 0.826 549 L CB -0.203 41.742 42.059 -0.190 0.000 0.941 549 L HN 0.226 nan 8.230 nan 0.000 0.451 550 G N 0.292 109.087 108.800 -0.008 0.000 2.225 550 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.267 550 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.267 550 G C 0.501 175.414 174.900 0.022 0.000 1.024 550 G CA 0.688 45.795 45.100 0.011 0.000 0.784 550 G HN 0.438 nan 8.290 nan 0.000 0.507 551 R N -0.728 119.791 120.500 0.031 0.000 2.663 551 R HA 0.369 4.709 4.340 -0.000 0.000 0.267 551 R C -2.721 173.633 176.300 0.089 0.000 1.038 551 R CA -1.741 54.391 56.100 0.053 0.000 0.886 551 R CB 2.296 32.626 30.300 0.049 0.000 1.249 551 R HN 0.039 nan 8.270 nan 0.000 0.463 552 P HA 0.083 nan 4.420 nan 0.000 0.269 552 P C -1.013 176.423 177.300 0.227 0.000 1.217 552 P CA 0.247 63.428 63.100 0.135 0.000 0.783 552 P CB 0.520 32.282 31.700 0.103 0.000 0.898 553 F N 1.109 121.056 119.950 -0.005 0.000 2.635 553 F HA 0.532 5.058 4.527 -0.000 0.000 0.314 553 F C -1.747 174.024 175.800 -0.049 0.000 1.119 553 F CA -1.015 56.967 58.000 -0.029 0.000 1.000 553 F CB 1.350 40.320 39.000 -0.050 0.000 1.278 553 F HN 0.177 nan 8.300 nan 0.000 0.446 554 L N 6.309 127.202 121.223 -0.550 0.000 2.354 554 L HA 0.806 5.145 4.340 -0.000 0.000 0.269 554 L C -1.609 174.839 176.870 -0.703 0.000 1.005 554 L CA -0.570 53.985 54.840 -0.475 0.000 0.819 554 L CB 1.820 43.719 42.059 -0.266 0.000 1.311 554 L HN 0.603 nan 8.230 nan 0.000 0.423 555 I N 3.548 123.827 120.570 -0.485 0.000 2.468 555 I HA 0.325 4.495 4.170 -0.000 0.000 0.285 555 I C -0.721 175.208 176.117 -0.314 0.000 1.039 555 I CA -0.395 60.672 61.300 -0.388 0.000 1.074 555 I CB 1.943 39.776 38.000 -0.279 0.000 1.228 555 I HN 0.590 nan 8.210 nan 0.000 0.436 556 E N 6.392 126.442 120.200 -0.249 0.000 2.130 556 E HA 0.429 4.779 4.350 -0.000 0.000 0.284 556 E C -1.412 175.079 176.600 -0.183 0.000 1.018 556 E CA -0.503 55.762 56.400 -0.224 0.000 0.817 556 E CB 1.308 30.940 29.700 -0.114 0.000 1.078 556 E HN 0.365 nan 8.360 nan 0.000 0.396 557 V N 7.922 127.709 119.914 -0.212 0.000 2.370 557 V HA 0.342 4.461 4.120 -0.000 0.000 0.283 557 V C -2.046 173.940 176.094 -0.180 0.000 1.023 557 V CA -1.863 60.333 62.300 -0.175 0.000 0.857 557 V CB 1.330 33.045 31.823 -0.179 0.000 0.985 557 V HN 0.729 nan 8.190 nan 0.000 0.443 558 P HA 0.325 nan 4.420 nan 0.000 0.275 558 P C -0.783 176.405 177.300 -0.186 0.000 1.227 558 P CA 0.114 63.130 63.100 -0.140 0.000 0.781 558 P CB 1.617 33.259 31.700 -0.096 0.000 0.906 559 V N 0.003 119.774 119.914 -0.239 0.000 3.188 559 V HA 0.672 4.792 4.120 -0.000 0.000 0.305 559 V C -1.026 174.824 176.094 -0.407 0.000 1.232 559 V CA -0.908 61.187 62.300 -0.343 0.000 1.043 559 V CB 2.106 33.669 31.823 -0.434 0.000 1.068 559 V HN 0.477 nan 8.190 nan 0.000 0.439 560 N N -0.175 118.239 118.700 -0.476 0.000 2.571 560 N HA 0.719 5.459 4.740 -0.000 0.000 0.273 560 N C -0.910 174.266 175.510 -0.557 0.000 1.340 560 N CA -0.520 52.241 53.050 -0.481 0.000 0.789 560 N CB 2.096 40.426 38.487 -0.262 0.000 1.514 560 N HN 0.753 nan 8.380 nan 0.000 0.499 561 Y N 0.036 120.246 120.300 -0.149 0.000 2.594 561 Y HA 0.211 4.761 4.550 -0.000 0.000 0.283 561 Y C -0.104 175.760 175.900 -0.061 0.000 1.140 561 Y CA 0.180 58.244 58.100 -0.060 0.000 1.261 561 Y CB 0.338 38.797 38.460 -0.003 0.000 1.358 561 Y HN 0.420 nan 8.280 nan 0.000 0.513 562 D N 0.856 121.194 120.400 -0.104 0.000 2.716 562 D HA -0.180 4.459 4.640 -0.000 0.000 0.239 562 D C -0.844 175.542 176.300 0.143 0.000 1.125 562 D CA 0.626 54.617 54.000 -0.015 0.000 0.681 562 D CB -2.013 38.843 40.800 0.093 0.000 1.070 562 D HN 0.194 nan 8.370 nan 0.000 0.432 563 F N -1.566 118.548 119.950 0.273 0.000 2.380 563 F HA 0.530 5.057 4.527 -0.000 0.000 0.325 563 F C 1.115 177.060 175.800 0.241 0.000 1.136 563 F CA -1.299 56.877 58.000 0.294 0.000 1.171 563 F CB 0.081 39.147 39.000 0.110 0.000 1.230 563 F HN -0.019 nan 8.300 nan 0.000 0.554 564 Q N 2.263 122.398 119.800 0.558 0.000 2.636 564 Q HA 0.353 4.693 4.340 -0.000 0.000 0.233 564 Q C -2.298 173.924 176.000 0.370 0.000 1.143 564 Q CA -1.921 54.099 55.803 0.362 0.000 0.969 564 Q CB -0.305 28.569 28.738 0.226 0.000 1.185 564 Q HN 0.587 nan 8.270 nan 0.000 0.546 565 P HA -0.153 nan 4.420 nan 0.000 0.223 565 P C 1.359 178.769 177.300 0.184 0.000 1.144 565 P CA 1.611 64.803 63.100 0.154 0.000 0.783 565 P CB -0.052 31.649 31.700 0.003 0.000 0.771 566 G N 0.113 109.017 108.800 0.173 0.000 2.511 566 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.217 566 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.217 566 G C 1.555 176.494 174.900 0.065 0.000 1.133 566 G CA 0.541 45.715 45.100 0.123 0.000 0.792 566 G HN 0.410 nan 8.290 nan 0.000 0.539 567 G N -0.255 108.551 108.800 0.011 0.000 3.124 567 G HA2 0.241 4.201 3.960 -0.000 0.000 0.212 567 G HA3 0.241 4.201 3.960 -0.000 0.000 0.212 567 G C 0.178 174.838 174.900 -0.400 0.000 1.181 567 G CA -0.336 44.639 45.100 -0.208 0.000 0.803 567 G HN 0.294 nan 8.290 nan 0.000 0.529 568 F N 0.569 120.476 119.950 -0.072 0.000 2.908 568 F HA 0.322 4.849 4.527 -0.000 0.000 0.328 568 F C 1.901 177.608 175.800 -0.155 0.000 1.211 568 F CA -0.656 57.262 58.000 -0.136 0.000 1.291 568 F CB 0.989 39.863 39.000 -0.210 0.000 0.962 568 F HN 0.064 nan 8.300 nan 0.000 0.505 569 G N -0.021 108.771 108.800 -0.014 0.000 2.534 569 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.217 569 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.217 569 G C 1.779 176.647 174.900 -0.054 0.000 1.128 569 G CA 0.807 45.888 45.100 -0.032 0.000 0.784 569 G HN 0.432 nan 8.290 nan 0.000 0.542 570 A N 0.508 123.287 122.820 -0.068 0.000 2.172 570 A HA 0.219 4.539 4.320 -0.000 0.000 0.216 570 A C 2.134 179.653 177.584 -0.109 0.000 1.154 570 A CA 0.456 52.444 52.037 -0.081 0.000 0.701 570 A CB -0.219 18.738 19.000 -0.072 0.000 0.789 570 A HN 0.372 nan 8.150 nan 0.000 0.465 571 L N -0.092 121.052 121.223 -0.133 0.000 2.551 571 L HA -0.006 4.333 4.340 -0.000 0.000 0.228 571 L C 1.059 177.874 176.870 -0.093 0.000 1.153 571 L CA -0.204 54.536 54.840 -0.167 0.000 0.851 571 L CB -0.467 41.453 42.059 -0.233 0.000 0.959 571 L HN 0.198 nan 8.230 nan 0.000 0.451 572 S N 0.000 115.656 115.700 -0.074 0.000 2.498 572 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 572 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 572 S CB 0.000 63.170 63.200 -0.051 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517