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 1cj0_1_A DATA FIRST_RESID -8 DATA SEQUENCE WSSHEQXXXM LAQPLKXXDS DAEVYDIIKK ESNRQRVGLE LIASENFASR DATA SEQUENCE AVLEALGSCL NNKYSEGYPG QRYYGGTEHI DELETLCQKR ALQAYGLDWG DATA SEQUENCE NVQPYSGSPA NFAVYTALVE PGXRIMGLDL PDGGHLTHGF MTDISATIFE DATA SEQUENCE SMAYKVNPTG YIDYDRLEEN ARLFHPKLII AGTSCYSRNL DYGRLRKIAD DATA SEQUENCE ENGAYLMADM AHISGLVVAG VVPSPFEHCH VVTTTTHKTL RGCRAGMIFY DATA SEQUENCE RRGXXILYNS LNSAVFPGLQ GGPHNHAIAG VAVALKQAMT PEFKEYQRQV DATA SEQUENCE VANCRALSAA LVELGYKIVT GGSDNHLILV DLRSKGTDGG RAEKVLEACS DATA SEQUENCE IACNKNTCPG DXKSALRPSG LRLGTPALTS RGLKDFQXKX VAHFIHRGIE DATA SEQUENCE TVQDTATLEK LAGKHRAVRA RQEVFAAXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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0.000 nan 4.660 nan 0.000 0.303 -8 W C 0.000 176.516 176.519 -0.005 0.000 1.175 -8 W CA 0.000 57.342 57.345 -0.004 0.000 1.226 -8 W CB 0.000 29.458 29.460 -0.004 0.000 1.126 -7 S N 0.855 116.303 115.700 -0.420 0.000 2.575 -7 S HA 0.161 4.631 4.470 0.000 0.000 0.215 -7 S C 0.413 174.770 174.600 -0.405 0.000 0.966 -7 S CA 0.561 58.305 58.200 -0.759 0.000 0.911 -7 S CB -0.359 61.898 63.200 -1.571 0.000 0.780 -7 S HN 0.250 nan 8.310 nan 0.000 0.514 -6 S N 1.948 117.520 115.700 -0.214 0.000 3.864 -6 S HA 0.161 4.631 4.470 0.000 0.000 0.202 -6 S C 1.033 175.609 174.600 -0.041 0.000 1.402 -6 S CA 0.423 58.561 58.200 -0.103 0.000 1.072 -6 S CB -0.609 62.584 63.200 -0.012 0.000 1.383 -6 S HN 0.817 nan 8.310 nan 0.000 0.458 -5 H N 0.285 119.312 119.070 -0.071 0.000 2.553 -5 H HA 0.297 4.853 4.556 0.000 0.000 0.265 -5 H C 0.847 176.142 175.328 -0.054 0.000 0.964 -5 H CA 0.401 56.423 56.048 -0.043 0.000 1.156 -5 H CB -0.233 29.499 29.762 -0.050 0.000 1.411 -5 H HN 0.599 nan 8.280 nan 0.000 0.558 -4 E N 1.382 121.537 120.200 -0.076 0.000 2.037 -4 E HA 0.322 4.672 4.350 0.000 0.000 0.253 -4 E C -0.327 176.246 176.600 -0.046 0.000 1.265 -4 E CA 0.323 56.681 56.400 -0.070 0.000 0.972 -4 E CB -0.571 29.076 29.700 -0.088 0.000 1.054 -4 E HN 0.814 nan 8.360 nan 0.000 0.432 2 L N 1.474 122.676 121.223 -0.035 0.000 2.376 2 L HA 0.294 4.635 4.340 0.000 0.000 0.219 2 L C 2.649 179.500 176.870 -0.031 0.000 1.133 2 L CA 1.442 56.262 54.840 -0.034 0.000 0.816 2 L CB -0.308 41.731 42.059 -0.033 0.000 0.933 2 L HN 0.604 nan 8.230 nan 0.000 0.449 3 A N -1.463 121.340 122.820 -0.028 0.000 1.997 3 A HA -0.013 4.307 4.320 0.000 0.000 0.212 3 A C 1.273 178.840 177.584 -0.028 0.000 1.178 3 A CA -0.113 51.908 52.037 -0.026 0.000 0.698 3 A CB -0.168 18.819 19.000 -0.022 0.000 0.842 3 A HN 0.323 nan 8.150 nan 0.000 0.458 4 Q N 0.944 120.725 119.800 -0.031 0.000 2.304 4 Q HA 0.100 4.440 4.340 0.000 0.000 0.315 4 Q C -2.325 173.652 176.000 -0.039 0.000 1.075 4 Q CA -1.103 54.679 55.803 -0.036 0.000 0.988 4 Q CB 0.382 29.098 28.738 -0.036 0.000 1.146 4 Q HN 0.250 nan 8.270 nan 0.000 0.383 5 P HA -0.002 nan 4.420 nan 0.000 0.278 5 P C 0.225 177.483 177.300 -0.069 0.000 1.258 5 P CA -0.589 62.480 63.100 -0.051 0.000 0.811 5 P CB 0.625 32.289 31.700 -0.061 0.000 1.063 6 L N 1.479 122.670 121.223 -0.054 0.000 1.971 6 L HA -0.105 4.236 4.340 0.000 0.000 0.215 6 L C 1.398 178.181 176.870 -0.146 0.000 1.072 6 L CA 2.453 57.264 54.840 -0.050 0.000 0.758 6 L CB -1.882 40.197 42.059 0.033 0.000 0.889 6 L HN 0.391 nan 8.230 nan 0.000 0.433 11 S N -0.183 115.479 115.700 -0.064 0.000 2.388 11 S HA -0.031 4.439 4.470 0.000 0.000 0.223 11 S C 0.275 174.860 174.600 -0.026 0.000 1.034 11 S CA 0.989 59.165 58.200 -0.041 0.000 0.963 11 S CB 0.323 63.500 63.200 -0.038 0.000 0.827 11 S HN 0.047 nan 8.310 nan 0.000 0.481 12 D N 0.121 120.511 120.400 -0.018 0.000 2.375 12 D HA 0.589 5.229 4.640 0.000 0.000 0.259 12 D C 0.426 176.751 176.300 0.040 0.000 1.235 12 D CA 0.060 54.063 54.000 0.005 0.000 0.924 12 D CB 1.301 42.105 40.800 0.006 0.000 1.143 12 D HN 0.212 nan 8.370 nan 0.000 0.529 13 A N 3.143 125.984 122.820 0.036 0.000 1.898 13 A HA -0.141 4.179 4.320 0.000 0.000 0.216 13 A C 1.804 179.443 177.584 0.091 0.000 1.181 13 A CA 1.196 53.279 52.037 0.077 0.000 0.620 13 A CB -0.165 18.863 19.000 0.046 0.000 0.819 13 A HN 0.571 nan 8.150 nan 0.000 0.442 14 E N -0.281 119.946 120.200 0.045 0.000 2.058 14 E HA -0.146 4.204 4.350 0.000 0.000 0.194 14 E C 1.893 178.505 176.600 0.020 0.000 0.997 14 E CA 1.523 57.939 56.400 0.026 0.000 0.801 14 E CB -0.293 29.413 29.700 0.009 0.000 0.746 14 E HN 0.424 nan 8.360 nan 0.000 0.450 15 V N 0.594 120.523 119.914 0.025 0.000 2.809 15 V HA -0.207 3.913 4.120 0.000 0.000 0.256 15 V C 1.895 177.993 176.094 0.007 0.000 1.080 15 V CA 1.241 63.541 62.300 0.001 0.000 1.102 15 V CB -0.551 31.269 31.823 -0.006 0.000 0.705 15 V HN 0.263 nan 8.190 nan 0.000 0.475 16 Y N 1.687 121.949 120.300 -0.064 0.000 2.163 16 Y HA -0.187 4.363 4.550 0.000 0.000 0.288 16 Y C 2.405 178.267 175.900 -0.064 0.000 1.136 16 Y CA 1.705 59.765 58.100 -0.067 0.000 1.147 16 Y CB -0.360 38.089 38.460 -0.018 0.000 0.987 16 Y HN 0.321 nan 8.280 nan 0.000 0.509 17 D N 0.189 120.541 120.400 -0.079 0.000 2.149 17 D HA -0.213 4.427 4.640 0.000 0.000 0.198 17 D C 2.374 178.575 176.300 -0.166 0.000 0.990 17 D CA 1.819 55.735 54.000 -0.141 0.000 0.839 17 D CB -0.321 40.460 40.800 -0.031 0.000 0.948 17 D HN 0.436 nan 8.370 nan 0.000 0.460 18 I N 0.877 121.371 120.570 -0.126 0.000 2.208 18 I HA -0.258 3.912 4.170 0.000 0.000 0.245 18 I C 2.468 178.481 176.117 -0.174 0.000 1.097 18 I CA 0.865 62.094 61.300 -0.118 0.000 1.363 18 I CB -0.185 37.762 38.000 -0.088 0.000 1.051 18 I HN -0.032 nan 8.210 nan 0.000 0.413 19 I N 1.039 121.447 120.570 -0.270 0.000 2.163 19 I HA -0.275 3.895 4.170 0.000 0.000 0.240 19 I C 3.121 179.023 176.117 -0.359 0.000 1.081 19 I CA 1.681 62.752 61.300 -0.381 0.000 1.353 19 I CB -0.677 36.949 38.000 -0.623 0.000 1.054 19 I HN 0.152 nan 8.210 nan 0.000 0.407 20 K N 1.335 121.485 120.400 -0.416 0.000 2.103 20 K HA -0.220 4.100 4.320 0.000 0.000 0.207 20 K C 1.996 178.515 176.600 -0.135 0.000 1.048 20 K CA 1.816 57.948 56.287 -0.259 0.000 0.930 20 K CB -0.884 31.415 32.500 -0.335 0.000 0.716 20 K HN 0.393 nan 8.250 nan 0.000 0.444 21 K N -0.242 120.079 120.400 -0.132 0.000 2.025 21 K HA -0.153 4.167 4.320 0.000 0.000 0.207 21 K C 2.443 179.012 176.600 -0.053 0.000 1.049 21 K CA 1.445 57.688 56.287 -0.075 0.000 0.933 21 K CB -0.048 32.413 32.500 -0.065 0.000 0.714 21 K HN 0.515 nan 8.250 nan 0.000 0.438 22 E N 1.341 121.502 120.200 -0.065 0.000 2.077 22 E HA -0.151 4.199 4.350 0.000 0.000 0.193 22 E C 1.761 178.358 176.600 -0.006 0.000 0.989 22 E CA 2.020 58.399 56.400 -0.035 0.000 0.800 22 E CB -0.151 29.519 29.700 -0.050 0.000 0.746 22 E HN 0.238 nan 8.360 nan 0.000 0.452 23 S N -0.442 115.248 115.700 -0.017 0.000 2.474 23 S HA -0.142 4.329 4.470 0.000 0.000 0.235 23 S C 1.766 176.379 174.600 0.022 0.000 0.997 23 S CA 1.099 59.317 58.200 0.031 0.000 0.949 23 S CB -0.504 62.735 63.200 0.065 0.000 0.766 23 S HN 0.445 nan 8.310 nan 0.000 0.517 24 N N 1.940 120.641 118.700 0.002 0.000 2.387 24 N HA 0.026 4.766 4.740 0.000 0.000 0.176 24 N C 1.838 177.348 175.510 -0.001 0.000 1.022 24 N CA 0.496 53.543 53.050 -0.005 0.000 0.883 24 N CB -0.401 38.078 38.487 -0.013 0.000 1.019 24 N HN 0.361 nan 8.380 nan 0.000 0.435 25 R N 0.198 120.701 120.500 0.005 0.000 2.193 25 R HA -0.062 4.278 4.340 0.000 0.000 0.229 25 R C 1.546 177.868 176.300 0.037 0.000 1.110 25 R CA 1.324 57.432 56.100 0.014 0.000 0.988 25 R CB -0.017 30.291 30.300 0.013 0.000 0.871 25 R HN 0.502 nan 8.270 nan 0.000 0.458 26 Q N -0.591 119.240 119.800 0.052 0.000 2.163 26 Q HA -0.087 4.253 4.340 0.000 0.000 0.198 26 Q C 2.109 178.124 176.000 0.025 0.000 0.954 26 Q CA 0.873 56.735 55.803 0.099 0.000 0.851 26 Q CB 0.001 28.835 28.738 0.159 0.000 0.928 26 Q HN 0.256 nan 8.270 nan 0.000 0.459 27 R N 0.768 121.253 120.500 -0.026 0.000 2.092 27 R HA -0.110 4.230 4.340 0.000 0.000 0.231 27 R C 2.090 178.368 176.300 -0.037 0.000 1.119 27 R CA 1.476 57.538 56.100 -0.064 0.000 0.970 27 R CB 0.065 30.329 30.300 -0.059 0.000 0.864 27 R HN 0.276 nan 8.270 nan 0.000 0.440 28 V N -2.425 117.480 119.914 -0.016 0.000 3.506 28 V HA 0.367 4.487 4.120 0.000 0.000 0.263 28 V C 0.732 176.823 176.094 -0.005 0.000 1.203 28 V CA 0.445 62.737 62.300 -0.014 0.000 1.133 28 V CB 0.178 31.993 31.823 -0.014 0.000 0.802 28 V HN 0.223 nan 8.190 nan 0.000 0.459 29 G N 0.190 109.000 108.800 0.016 0.000 2.511 29 G HA2 0.626 4.586 3.960 0.000 0.000 0.316 29 G HA3 0.626 4.586 3.960 0.000 0.000 0.316 29 G C -0.963 173.960 174.900 0.039 0.000 1.210 29 G CA -0.969 44.146 45.100 0.024 0.000 0.969 29 G HN 0.299 nan 8.290 nan 0.000 0.492 30 L N 1.109 122.354 121.223 0.038 0.000 2.294 30 L HA 0.325 4.665 4.340 0.000 0.000 0.283 30 L C -0.306 176.609 176.870 0.074 0.000 1.015 30 L CA -0.692 54.177 54.840 0.049 0.000 0.831 30 L CB 1.679 43.763 42.059 0.042 0.000 1.217 30 L HN 0.346 nan 8.230 nan 0.000 0.420 31 E N 4.531 124.800 120.200 0.114 0.000 2.105 31 E HA 0.217 4.567 4.350 0.000 0.000 0.285 31 E C 0.152 176.810 176.600 0.097 0.000 1.055 31 E CA -0.045 56.417 56.400 0.103 0.000 0.843 31 E CB 1.594 31.361 29.700 0.111 0.000 1.067 31 E HN 0.546 nan 8.360 nan 0.000 0.398 32 L N 3.982 125.256 121.223 0.084 0.000 2.959 32 L HA 0.322 4.662 4.340 0.000 0.000 0.259 32 L C 0.547 177.464 176.870 0.078 0.000 1.185 32 L CA -0.072 54.829 54.840 0.101 0.000 0.998 32 L CB 0.429 42.547 42.059 0.098 0.000 1.337 32 L HN 0.380 nan 8.230 nan 0.000 0.555 33 I N 0.732 121.339 120.570 0.062 0.000 2.436 33 I HA 0.014 4.184 4.170 0.000 0.000 0.289 33 I C 1.628 177.797 176.117 0.087 0.000 1.083 33 I CA -0.070 61.265 61.300 0.060 0.000 1.372 33 I CB 1.496 39.522 38.000 0.044 0.000 1.408 33 I HN 0.161 nan 8.210 nan 0.000 0.516 34 A N 4.689 127.577 122.820 0.114 0.000 1.978 34 A HA -0.190 4.131 4.320 0.000 0.000 0.220 34 A C 2.217 179.965 177.584 0.273 0.000 1.170 34 A CA 2.170 54.325 52.037 0.197 0.000 0.636 34 A CB -0.482 18.598 19.000 0.133 0.000 0.810 34 A HN 0.804 nan 8.150 nan 0.000 0.448 35 S N -0.586 115.240 115.700 0.210 0.000 2.558 35 S HA 0.091 4.561 4.470 0.000 0.000 0.217 35 S C 0.493 175.083 174.600 -0.016 0.000 0.975 35 S CA -0.215 57.995 58.200 0.017 0.000 0.912 35 S CB -0.036 63.161 63.200 -0.004 0.000 0.776 35 S HN 0.534 nan 8.310 nan 0.000 0.526 36 E N 2.086 122.286 120.200 0.002 0.000 2.345 36 E HA 0.477 4.827 4.350 0.000 0.000 0.259 36 E C -0.283 176.234 176.600 -0.138 0.000 1.117 36 E CA -0.233 56.118 56.400 -0.081 0.000 0.913 36 E CB 0.499 30.127 29.700 -0.121 0.000 1.057 36 E HN 0.258 nan 8.360 nan 0.000 0.432 37 N N -0.220 118.301 118.700 -0.298 0.000 3.356 37 N HA 0.261 5.001 4.740 0.000 0.000 0.246 37 N C -1.979 173.206 175.510 -0.541 0.000 1.480 37 N CA -0.510 52.349 53.050 -0.318 0.000 0.877 37 N CB 0.582 39.048 38.487 -0.035 0.000 1.431 37 N HN 0.189 nan 8.380 nan 0.000 0.500 38 F N 1.106 121.093 119.950 0.062 0.000 2.460 38 F HA 0.698 5.225 4.527 0.000 0.000 0.341 38 F C 0.769 176.589 175.800 0.034 0.000 1.130 38 F CA -0.733 57.293 58.000 0.043 0.000 0.962 38 F CB 1.557 40.572 39.000 0.025 0.000 1.171 38 F HN 0.490 nan 8.300 nan 0.000 0.436 39 A N 2.061 125.005 122.820 0.207 0.000 2.371 39 A HA 0.538 4.858 4.320 0.000 0.000 0.257 39 A C 0.402 178.059 177.584 0.123 0.000 1.089 39 A CA -0.331 51.789 52.037 0.138 0.000 0.794 39 A CB 0.121 19.188 19.000 0.112 0.000 1.029 39 A HN 0.814 nan 8.150 nan 0.000 0.488 40 S N 1.396 117.146 115.700 0.082 0.000 2.593 40 S HA 0.175 4.646 4.470 0.000 0.000 0.269 40 S C 1.227 175.856 174.600 0.049 0.000 1.334 40 S CA 0.178 58.411 58.200 0.055 0.000 1.015 40 S CB 0.703 63.925 63.200 0.036 0.000 0.912 40 S HN 0.858 nan 8.310 nan 0.000 0.541 41 R N 1.223 121.741 120.500 0.030 0.000 2.103 41 R HA -0.180 4.160 4.340 0.000 0.000 0.242 41 R C 2.250 178.563 176.300 0.023 0.000 1.142 41 R CA 1.731 57.844 56.100 0.021 0.000 0.960 41 R CB -1.177 29.121 30.300 -0.003 0.000 0.858 41 R HN 0.855 nan 8.270 nan 0.000 0.439 42 A N 0.406 123.237 122.820 0.018 0.000 1.851 42 A HA -0.145 4.175 4.320 0.000 0.000 0.216 42 A C 2.322 179.920 177.584 0.023 0.000 1.195 42 A CA 1.833 53.879 52.037 0.015 0.000 0.622 42 A CB -0.900 18.106 19.000 0.010 0.000 0.831 42 A HN 0.241 nan 8.150 nan 0.000 0.444 43 V N 0.028 119.959 119.914 0.030 0.000 2.332 43 V HA -0.257 3.863 4.120 0.000 0.000 0.248 43 V C 2.526 178.649 176.094 0.047 0.000 1.055 43 V CA 1.997 64.319 62.300 0.036 0.000 1.038 43 V CB -0.625 31.224 31.823 0.042 0.000 0.651 43 V HN 0.560 nan 8.190 nan 0.000 0.450 44 L N -0.587 120.670 121.223 0.055 0.000 2.275 44 L HA -0.137 4.204 4.340 0.000 0.000 0.215 44 L C 2.446 179.354 176.870 0.064 0.000 1.119 44 L CA 1.236 56.118 54.840 0.069 0.000 0.790 44 L CB -0.370 41.742 42.059 0.088 0.000 0.919 44 L HN 0.453 nan 8.230 nan 0.000 0.443 45 E N -0.145 120.082 120.200 0.045 0.000 2.170 45 E HA -0.102 4.248 4.350 0.000 0.000 0.191 45 E C 2.295 178.916 176.600 0.035 0.000 0.981 45 E CA 0.817 57.239 56.400 0.036 0.000 0.830 45 E CB -0.021 29.691 29.700 0.018 0.000 0.775 45 E HN 0.458 nan 8.360 nan 0.000 0.470 46 A N 1.446 124.289 122.820 0.038 0.000 1.972 46 A HA -0.145 4.175 4.320 0.000 0.000 0.219 46 A C 2.160 179.786 177.584 0.071 0.000 1.169 46 A CA 0.933 52.997 52.037 0.044 0.000 0.635 46 A CB -0.579 18.445 19.000 0.039 0.000 0.810 46 A HN 0.140 nan 8.150 nan 0.000 0.446 47 L N -0.957 120.314 121.223 0.080 0.000 2.191 47 L HA -0.109 4.231 4.340 0.000 0.000 0.212 47 L C 2.474 179.368 176.870 0.040 0.000 1.103 47 L CA 0.965 55.873 54.840 0.114 0.000 0.769 47 L CB -0.447 41.673 42.059 0.101 0.000 0.908 47 L HN 0.506 nan 8.230 nan 0.000 0.438 48 G N -0.802 108.010 108.800 0.020 0.000 3.042 48 G HA2 -0.032 3.928 3.960 0.000 0.000 0.212 48 G HA3 -0.032 3.928 3.960 0.000 0.000 0.212 48 G C 0.874 175.753 174.900 -0.036 0.000 1.166 48 G CA 0.410 45.498 45.100 -0.020 0.000 0.767 48 G HN 0.415 nan 8.290 nan 0.000 0.546 49 S N -0.464 115.229 115.700 -0.013 0.000 2.612 49 S HA 0.013 4.483 4.470 0.000 0.000 0.253 49 S C 1.862 176.441 174.600 -0.036 0.000 1.346 49 S CA 0.234 58.426 58.200 -0.013 0.000 0.976 49 S CB 0.593 63.799 63.200 0.010 0.000 0.949 49 S HN 0.697 nan 8.310 nan 0.000 0.584 50 C N -0.452 118.834 119.300 -0.023 0.000 2.576 50 C HA 0.348 4.809 4.460 0.000 0.000 0.267 50 C C 2.115 177.100 174.990 -0.010 0.000 1.364 50 C CA -0.485 58.517 59.018 -0.027 0.000 1.723 50 C CB -2.146 25.584 27.740 -0.017 0.000 1.778 50 C HN 0.760 nan 8.230 nan 0.000 0.572 51 L N 1.549 122.782 121.223 0.017 0.000 2.362 51 L HA -0.080 4.260 4.340 0.000 0.000 0.219 51 L C 2.479 179.398 176.870 0.080 0.000 1.134 51 L CA 0.888 55.761 54.840 0.055 0.000 0.807 51 L CB -0.828 41.281 42.059 0.082 0.000 0.927 51 L HN 0.487 nan 8.230 nan 0.000 0.447 52 N N 0.960 119.663 118.700 0.006 0.000 2.069 52 N HA -0.204 4.536 4.740 0.000 0.000 0.191 52 N C 1.280 176.754 175.510 -0.060 0.000 1.031 52 N CA 1.518 54.513 53.050 -0.092 0.000 0.852 52 N CB -0.386 37.883 38.487 -0.364 0.000 1.018 52 N HN 0.542 nan 8.380 nan 0.000 0.423 53 N N 0.472 119.138 118.700 -0.056 0.000 2.635 53 N HA -0.095 4.645 4.740 0.000 0.000 0.191 53 N C 0.212 175.714 175.510 -0.014 0.000 1.155 53 N CA 0.404 53.431 53.050 -0.039 0.000 0.927 53 N CB 0.136 38.606 38.487 -0.029 0.000 0.976 53 N HN 0.062 nan 8.380 nan 0.000 0.448 54 K N 0.491 120.889 120.400 -0.004 0.000 2.182 54 K HA 0.208 4.528 4.320 0.000 0.000 0.262 54 K C -1.649 174.953 176.600 0.004 0.000 0.957 54 K CA -0.591 55.709 56.287 0.022 0.000 0.842 54 K CB 0.480 33.007 32.500 0.044 0.000 1.099 54 K HN -0.113 nan 8.250 nan 0.000 0.438 55 Y N 1.841 122.143 120.300 0.003 0.000 2.335 55 Y HA 0.231 4.781 4.550 0.000 0.000 0.339 55 Y C 0.012 175.984 175.900 0.120 0.000 0.987 55 Y CA 0.098 58.227 58.100 0.048 0.000 1.140 55 Y CB 1.393 39.845 38.460 -0.013 0.000 1.173 55 Y HN 0.667 nan 8.280 nan 0.000 0.486 56 S N 1.518 117.347 115.700 0.216 0.000 2.474 56 S HA 0.205 4.675 4.470 0.000 0.000 0.224 56 S C 0.779 175.333 174.600 -0.077 0.000 1.209 56 S CA -0.669 57.597 58.200 0.109 0.000 1.212 56 S CB 0.270 63.479 63.200 0.015 0.000 1.137 56 S HN 0.785 nan 8.310 nan 0.000 0.446 57 E N 2.242 122.414 120.200 -0.046 0.000 2.110 57 E HA -0.186 4.164 4.350 0.000 0.000 0.225 57 E C 1.691 177.610 176.600 -1.134 0.000 1.063 57 E CA 2.257 58.316 56.400 -0.569 0.000 0.906 57 E CB -0.668 28.704 29.700 -0.548 0.000 0.795 57 E HN 0.763 nan 8.360 nan 0.000 0.479 58 G N -1.496 106.820 108.800 -0.806 0.000 2.519 58 G HA2 0.053 4.013 3.960 0.000 0.000 0.161 58 G HA3 0.053 4.013 3.960 0.000 0.000 0.161 58 G C -0.407 174.162 174.900 -0.551 0.000 1.671 58 G CA 0.270 45.007 45.100 -0.606 0.000 1.028 58 G HN 0.232 nan 8.290 nan 0.000 0.486 59 Y N -0.998 119.273 120.300 -0.049 0.000 2.633 59 Y HA 0.404 4.954 4.550 0.000 0.000 0.339 59 Y C -1.390 174.514 175.900 0.007 0.000 1.045 59 Y CA -1.635 56.453 58.100 -0.021 0.000 1.098 59 Y CB 1.904 40.376 38.460 0.020 0.000 1.296 59 Y HN 0.150 nan 8.280 nan 0.000 0.494 60 P HA -0.205 nan 4.420 nan 0.000 0.216 60 P C 1.262 178.625 177.300 0.106 0.000 1.154 60 P CA 2.690 65.858 63.100 0.114 0.000 0.865 60 P CB 0.109 31.872 31.700 0.105 0.000 0.789 61 G N -1.432 107.442 108.800 0.124 0.000 2.505 61 G HA2 -0.098 3.862 3.960 0.000 0.000 0.214 61 G HA3 -0.098 3.862 3.960 0.000 0.000 0.214 61 G C 0.927 175.891 174.900 0.107 0.000 1.237 61 G CA 0.966 46.123 45.100 0.096 0.000 0.802 61 G HN 0.488 nan 8.290 nan 0.000 0.549 62 Q N 0.941 120.831 119.800 0.150 0.000 2.398 62 Q HA 0.665 5.005 4.340 0.000 0.000 0.251 62 Q C -0.042 176.079 176.000 0.202 0.000 0.999 62 Q CA -0.804 55.100 55.803 0.168 0.000 0.874 62 Q CB 0.455 29.308 28.738 0.192 0.000 1.215 62 Q HN 0.385 nan 8.270 nan 0.000 0.470 63 R N 0.969 121.567 120.500 0.163 0.000 2.758 63 R HA 0.497 4.837 4.340 0.000 0.000 0.265 63 R C -0.317 176.143 176.300 0.266 0.000 1.016 63 R CA -0.785 55.405 56.100 0.151 0.000 1.040 63 R CB 0.785 31.139 30.300 0.090 0.000 1.152 63 R HN 0.749 nan 8.270 nan 0.000 0.503 64 Y N -0.495 119.704 120.300 -0.168 0.000 2.510 64 Y HA 0.164 4.714 4.550 0.000 0.000 0.273 64 Y C 0.282 175.961 175.900 -0.369 0.000 1.119 64 Y CA -0.085 57.826 58.100 -0.315 0.000 1.286 64 Y CB 0.040 38.192 38.460 -0.512 0.000 1.061 64 Y HN 0.424 nan 8.280 nan 0.000 0.542 65 Y N -1.675 118.721 120.300 0.160 0.000 2.914 65 Y HA 0.652 5.202 4.550 0.000 0.000 0.324 65 Y C 1.555 177.490 175.900 0.058 0.000 1.280 65 Y CA -0.905 57.248 58.100 0.087 0.000 1.133 65 Y CB 0.300 38.808 38.460 0.080 0.000 1.395 65 Y HN -0.258 nan 8.280 nan 0.000 0.645 66 G N -1.184 107.756 108.800 0.233 0.000 2.831 66 G HA2 0.128 4.088 3.960 0.000 0.000 0.200 66 G HA3 0.128 4.088 3.960 0.000 0.000 0.200 66 G C 0.952 175.890 174.900 0.064 0.000 1.130 66 G CA 0.258 45.427 45.100 0.116 0.000 0.678 66 G HN 0.811 nan 8.290 nan 0.000 0.795 67 G N 1.767 110.597 108.800 0.049 0.000 2.990 67 G HA2 0.316 4.276 3.960 0.000 0.000 0.256 67 G HA3 0.316 4.276 3.960 0.000 0.000 0.256 67 G C 0.827 175.730 174.900 0.005 0.000 0.798 67 G CA 0.945 46.053 45.100 0.015 0.000 2.012 67 G HN 0.671 nan 8.290 nan 0.000 0.598 68 T N -4.055 110.496 114.554 -0.004 0.000 3.293 68 T HA 0.470 4.820 4.350 0.000 0.000 0.276 68 T C 1.358 176.022 174.700 -0.060 0.000 1.003 68 T CA 0.748 62.846 62.100 -0.004 0.000 0.916 68 T CB 0.691 69.586 68.868 0.046 0.000 1.134 68 T HN 0.346 nan 8.240 nan 0.000 0.530 69 E N 1.068 121.153 120.200 -0.192 0.000 2.204 69 E HA -0.147 4.203 4.350 0.000 0.000 0.194 69 E C 1.826 178.292 176.600 -0.223 0.000 0.989 69 E CA 1.311 57.550 56.400 -0.269 0.000 0.824 69 E CB -0.904 28.539 29.700 -0.428 0.000 0.756 69 E HN 0.856 nan 8.360 nan 0.000 0.477 70 H N -0.737 118.349 119.070 0.026 0.000 2.476 70 H HA 0.198 4.755 4.556 0.000 0.000 0.292 70 H C 2.140 177.480 175.328 0.021 0.000 1.019 70 H CA 0.718 56.779 56.048 0.021 0.000 1.330 70 H CB 0.230 30.003 29.762 0.019 0.000 1.451 70 H HN 0.314 nan 8.280 nan 0.000 0.535 71 I N 1.361 122.005 120.570 0.124 0.000 2.756 71 I HA -0.139 4.031 4.170 0.000 0.000 0.262 71 I C 0.987 177.135 176.117 0.051 0.000 1.225 71 I CA 0.978 62.323 61.300 0.074 0.000 1.472 71 I CB -0.609 37.423 38.000 0.054 0.000 1.094 71 I HN 0.063 nan 8.210 nan 0.000 0.454 72 D N 0.407 120.836 120.400 0.049 0.000 2.216 72 D HA -0.103 4.537 4.640 0.000 0.000 0.208 72 D C 2.094 178.424 176.300 0.051 0.000 0.960 72 D CA 0.586 54.612 54.000 0.043 0.000 0.861 72 D CB 0.053 40.873 40.800 0.034 0.000 0.985 72 D HN 0.336 nan 8.370 nan 0.000 0.493 73 E N 0.042 120.281 120.200 0.066 0.000 2.031 73 E HA -0.173 4.178 4.350 0.000 0.000 0.193 73 E C 1.926 178.559 176.600 0.055 0.000 0.994 73 E CA 0.582 57.023 56.400 0.069 0.000 0.800 73 E CB -0.017 29.748 29.700 0.108 0.000 0.752 73 E HN 0.066 nan 8.360 nan 0.000 0.447 74 L N 1.646 122.904 121.223 0.058 0.000 1.955 74 L HA -0.227 4.113 4.340 0.000 0.000 0.213 74 L C 2.259 179.147 176.870 0.029 0.000 1.072 74 L CA 2.360 57.224 54.840 0.040 0.000 0.755 74 L CB -0.768 41.316 42.059 0.041 0.000 0.888 74 L HN 0.197 nan 8.230 nan 0.000 0.432 75 E N -1.464 118.753 120.200 0.028 0.000 2.130 75 E HA -0.255 4.095 4.350 0.000 0.000 0.196 75 E C 1.815 178.434 176.600 0.032 0.000 0.998 75 E CA 1.972 58.387 56.400 0.024 0.000 0.806 75 E CB -0.077 29.639 29.700 0.026 0.000 0.738 75 E HN 0.676 nan 8.360 nan 0.000 0.459 76 T N 1.201 115.778 114.554 0.039 0.000 2.777 76 T HA -0.148 4.202 4.350 0.000 0.000 0.266 76 T C 1.751 176.468 174.700 0.028 0.000 1.040 76 T CA 0.993 63.116 62.100 0.038 0.000 1.141 76 T CB -0.262 68.630 68.868 0.041 0.000 0.868 76 T HN 0.132 nan 8.240 nan 0.000 0.444 77 L N 1.104 122.342 121.223 0.025 0.000 2.012 77 L HA -0.041 4.299 4.340 0.000 0.000 0.210 77 L C 2.618 179.495 176.870 0.012 0.000 1.073 77 L CA 1.448 56.298 54.840 0.018 0.000 0.748 77 L CB -1.209 40.861 42.059 0.017 0.000 0.891 77 L HN 0.372 nan 8.230 nan 0.000 0.431 78 C N -0.440 118.866 119.300 0.010 0.000 2.429 78 C HA -0.172 4.288 4.460 0.000 0.000 0.277 78 C C 2.793 177.783 174.990 -0.001 0.000 1.262 78 C CA 1.246 60.266 59.018 0.003 0.000 1.733 78 C CB -0.785 26.954 27.740 -0.002 0.000 2.010 78 C HN 0.693 nan 8.230 nan 0.000 0.483 79 Q N 0.263 120.064 119.800 0.000 0.000 2.124 79 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 79 Q C 2.584 178.591 176.000 0.012 0.000 0.977 79 Q CA 2.359 58.156 55.803 -0.010 0.000 0.850 79 Q CB -0.158 28.583 28.738 0.006 0.000 0.901 79 Q HN 0.790 nan 8.270 nan 0.000 0.429 80 K N 1.232 121.643 120.400 0.018 0.000 2.062 80 K HA -0.098 4.223 4.320 0.000 0.000 0.205 80 K C 1.782 178.394 176.600 0.020 0.000 1.051 80 K CA 1.221 57.521 56.287 0.021 0.000 0.941 80 K CB -0.502 32.008 32.500 0.017 0.000 0.719 80 K HN 0.163 nan 8.250 nan 0.000 0.440 81 R N -0.164 120.344 120.500 0.013 0.000 2.081 81 R HA -0.011 4.329 4.340 0.000 0.000 0.235 81 R C 2.802 179.121 176.300 0.032 0.000 1.131 81 R CA 1.158 57.260 56.100 0.003 0.000 0.960 81 R CB -0.544 29.750 30.300 -0.010 0.000 0.856 81 R HN 0.489 nan 8.270 nan 0.000 0.436 82 A N 1.537 124.404 122.820 0.078 0.000 1.865 82 A HA -0.156 4.164 4.320 0.000 0.000 0.217 82 A C 2.216 179.992 177.584 0.320 0.000 1.191 82 A CA 1.282 53.451 52.037 0.221 0.000 0.623 82 A CB -0.668 18.410 19.000 0.130 0.000 0.826 82 A HN 0.186 nan 8.150 nan 0.000 0.444 83 L N -1.048 120.300 121.223 0.208 0.000 2.131 83 L HA -0.224 4.116 4.340 0.000 0.000 0.210 83 L C 2.871 179.745 176.870 0.006 0.000 1.092 83 L CA 1.620 56.541 54.840 0.136 0.000 0.759 83 L CB -0.452 41.663 42.059 0.094 0.000 0.903 83 L HN 0.592 nan 8.230 nan 0.000 0.435 84 Q N 0.005 119.807 119.800 0.003 0.000 1.965 84 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 84 Q C 2.353 178.293 176.000 -0.101 0.000 0.981 84 Q CA 1.660 57.435 55.803 -0.047 0.000 0.834 84 Q CB -0.186 28.531 28.738 -0.035 0.000 0.900 84 Q HN 0.478 nan 8.270 nan 0.000 0.426 85 A N -0.440 122.308 122.820 -0.120 0.000 2.093 85 A HA -0.205 4.115 4.320 0.000 0.000 0.222 85 A C 1.099 178.403 177.584 -0.466 0.000 1.162 85 A CA 1.479 53.354 52.037 -0.270 0.000 0.655 85 A CB -0.607 18.207 19.000 -0.309 0.000 0.805 85 A HN 0.595 nan 8.150 nan 0.000 0.461 86 Y N -0.942 119.203 120.300 -0.258 0.000 2.507 86 Y HA 0.391 4.941 4.550 0.000 0.000 0.254 86 Y C 1.483 177.100 175.900 -0.473 0.000 1.171 86 Y CA -0.181 57.656 58.100 -0.438 0.000 1.238 86 Y CB 0.003 37.961 38.460 -0.836 0.000 1.148 86 Y HN 0.376 nan 8.280 nan 0.000 0.525 87 G N 1.929 110.592 108.800 -0.228 0.000 2.354 87 G HA2 -0.265 3.695 3.960 0.000 0.000 0.278 87 G HA3 -0.265 3.695 3.960 0.000 0.000 0.278 87 G C -0.711 174.033 174.900 -0.260 0.000 0.953 87 G CA 0.024 45.007 45.100 -0.196 0.000 1.346 87 G HN 0.316 nan 8.290 nan 0.000 0.467 88 L N 1.009 122.088 121.223 -0.241 0.000 2.381 88 L HA 0.391 4.731 4.340 0.000 0.000 0.274 88 L C 1.162 178.013 176.870 -0.030 0.000 0.988 88 L CA -1.054 53.643 54.840 -0.238 0.000 0.824 88 L CB 1.671 43.444 42.059 -0.478 0.000 1.263 88 L HN 0.303 nan 8.230 nan 0.000 0.410 89 D N 2.430 122.862 120.400 0.053 0.000 2.084 89 D HA -0.140 4.500 4.640 0.000 0.000 0.196 89 D C -0.192 176.179 176.300 0.118 0.000 0.985 89 D CA 1.123 55.168 54.000 0.075 0.000 0.826 89 D CB 0.263 41.113 40.800 0.084 0.000 0.978 89 D HN 0.397 nan 8.370 nan 0.000 0.456 90 W N -1.594 119.687 121.300 -0.032 0.000 3.078 90 W HA -0.080 4.580 4.660 0.000 0.000 0.450 90 W C 0.582 177.029 176.519 -0.120 0.000 1.571 90 W CA 0.303 57.609 57.345 -0.066 0.000 0.459 90 W CB -1.240 28.186 29.460 -0.057 0.000 2.859 90 W HN 0.190 nan 8.180 nan 0.000 0.416 91 G N 0.253 108.967 108.800 -0.144 0.000 3.247 91 G HA2 0.667 4.628 3.960 0.000 0.000 0.226 91 G HA3 0.667 4.628 3.960 0.000 0.000 0.226 91 G C -1.235 173.241 174.900 -0.707 0.000 1.220 91 G CA -0.400 44.465 45.100 -0.391 0.000 0.875 91 G HN 0.666 nan 8.290 nan 0.000 0.606 92 N N -0.332 118.330 118.700 -0.063 0.000 2.397 92 N HA 0.280 5.020 4.740 0.000 0.000 0.291 92 N C -0.017 175.463 175.510 -0.049 0.000 1.065 92 N CA -0.339 52.756 53.050 0.075 0.000 0.884 92 N CB 2.272 40.861 38.487 0.171 0.000 1.551 92 N HN 0.591 nan 8.380 nan 0.000 0.487 93 V N 0.949 120.853 119.914 -0.017 0.000 3.214 93 V HA 0.307 4.427 4.120 0.000 0.000 0.330 93 V C 1.213 177.287 176.094 -0.034 0.000 1.403 93 V CA 0.147 62.416 62.300 -0.052 0.000 1.143 93 V CB 0.206 32.001 31.823 -0.047 0.000 1.098 93 V HN 0.572 nan 8.190 nan 0.000 0.463 94 Q N 0.575 120.358 119.800 -0.029 0.000 2.354 94 Q HA 0.191 4.531 4.340 0.000 0.000 0.203 94 Q C -1.595 174.316 176.000 -0.149 0.000 0.933 94 Q CA -0.452 55.300 55.803 -0.084 0.000 0.901 94 Q CB -0.553 28.107 28.738 -0.130 0.000 1.007 94 Q HN 0.560 nan 8.270 nan 0.000 0.495 95 P HA -0.141 nan 4.420 nan 0.000 0.265 95 P C -0.360 176.902 177.300 -0.062 0.000 1.187 95 P CA 0.617 63.604 63.100 -0.189 0.000 0.766 95 P CB 0.289 31.941 31.700 -0.080 0.000 0.820 96 Y N 0.056 120.314 120.300 -0.071 0.000 2.263 96 Y HA 0.053 4.603 4.550 0.000 0.000 0.292 96 Y C 1.368 177.263 175.900 -0.007 0.000 1.130 96 Y CA 0.838 58.896 58.100 -0.069 0.000 1.179 96 Y CB -0.259 38.158 38.460 -0.072 0.000 0.998 96 Y HN 0.254 nan 8.280 nan 0.000 0.532 97 S N -2.409 113.395 115.700 0.172 0.000 2.790 97 S HA 0.498 4.969 4.470 0.000 0.000 0.292 97 S C 1.195 175.875 174.600 0.134 0.000 1.197 97 S CA -0.429 57.858 58.200 0.145 0.000 0.851 97 S CB 0.794 64.074 63.200 0.133 0.000 1.217 97 S HN 0.221 nan 8.310 nan 0.000 0.526 98 G N 1.557 110.455 108.800 0.164 0.000 2.587 98 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 98 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 98 G C 1.453 176.402 174.900 0.081 0.000 1.240 98 G CA 1.611 46.763 45.100 0.088 0.000 0.794 98 G HN 0.623 nan 8.290 nan 0.000 0.580 99 S N 2.132 117.904 115.700 0.120 0.000 2.412 99 S HA -0.191 4.280 4.470 0.000 0.000 0.246 99 S C 0.394 175.091 174.600 0.162 0.000 1.073 99 S CA 2.227 60.535 58.200 0.179 0.000 1.186 99 S CB -1.378 61.943 63.200 0.202 0.000 1.084 99 S HN 0.325 nan 8.310 nan 0.000 0.434 100 P HA -0.119 nan 4.420 nan 0.000 0.215 100 P C 1.623 178.965 177.300 0.069 0.000 1.157 100 P CA 1.728 64.879 63.100 0.085 0.000 0.874 100 P CB -0.209 31.493 31.700 0.003 0.000 0.790 101 A N -0.690 122.140 122.820 0.018 0.000 1.892 101 A HA -0.297 4.023 4.320 0.000 0.000 0.218 101 A C 2.164 179.693 177.584 -0.092 0.000 1.188 101 A CA 2.466 54.486 52.037 -0.029 0.000 0.631 101 A CB -1.787 17.204 19.000 -0.015 0.000 0.822 101 A HN 0.148 nan 8.150 nan 0.000 0.447 102 N N -1.177 117.477 118.700 -0.077 0.000 2.018 102 N HA -0.162 4.579 4.740 0.000 0.000 0.196 102 N C 1.367 176.442 175.510 -0.726 0.000 1.043 102 N CA 1.755 54.635 53.050 -0.283 0.000 0.856 102 N CB -0.497 37.994 38.487 0.007 0.000 1.042 102 N HN 0.461 nan 8.380 nan 0.000 0.423 103 F N 1.352 121.084 119.950 -0.363 0.000 2.025 103 F HA -0.237 4.290 4.527 0.000 0.000 0.297 103 F C 2.221 177.896 175.800 -0.209 0.000 1.132 103 F CA 1.809 59.728 58.000 -0.135 0.000 1.191 103 F CB -0.898 38.166 39.000 0.107 0.000 0.963 103 F HN 0.090 nan 8.300 nan 0.000 0.481 104 A N -0.424 122.386 122.820 -0.017 0.000 1.997 104 A HA -0.227 4.094 4.320 0.000 0.000 0.221 104 A C 2.294 179.723 177.584 -0.259 0.000 1.172 104 A CA 2.206 54.184 52.037 -0.098 0.000 0.645 104 A CB -1.490 17.487 19.000 -0.038 0.000 0.813 104 A HN 0.334 nan 8.150 nan 0.000 0.454 105 V N -1.348 118.325 119.914 -0.402 0.000 2.548 105 V HA -0.223 3.897 4.120 0.000 0.000 0.249 105 V C 2.328 178.182 176.094 -0.400 0.000 1.055 105 V CA 1.712 63.780 62.300 -0.387 0.000 1.065 105 V CB -1.002 30.598 31.823 -0.373 0.000 0.681 105 V HN 0.675 nan 8.190 nan 0.000 0.462 106 Y N 0.752 120.815 120.300 -0.395 0.000 2.184 106 Y HA -0.145 4.406 4.550 0.000 0.000 0.290 106 Y C 2.804 178.422 175.900 -0.469 0.000 1.129 106 Y CA 1.193 58.898 58.100 -0.659 0.000 1.144 106 Y CB -1.797 35.872 38.460 -1.318 0.000 0.995 106 Y HN 0.182 nan 8.280 nan 0.000 0.513 107 T N 0.369 114.788 114.554 -0.225 0.000 2.699 107 T HA -0.257 4.093 4.350 0.000 0.000 0.268 107 T C 2.220 176.889 174.700 -0.053 0.000 1.036 107 T CA 1.666 63.736 62.100 -0.051 0.000 1.147 107 T CB -0.664 68.135 68.868 -0.116 0.000 0.862 107 T HN 0.444 nan 8.240 nan 0.000 0.446 108 A N 0.842 123.590 122.820 -0.120 0.000 1.854 108 A HA 0.122 4.443 4.320 0.000 0.000 0.214 108 A C 2.291 179.801 177.584 -0.123 0.000 1.192 108 A CA 1.062 53.026 52.037 -0.122 0.000 0.611 108 A CB -0.556 18.347 19.000 -0.161 0.000 0.832 108 A HN 0.458 nan 8.150 nan 0.000 0.442 109 L N -0.762 120.361 121.223 -0.166 0.000 2.221 109 L HA 0.104 4.444 4.340 0.000 0.000 0.202 109 L C 0.308 177.150 176.870 -0.048 0.000 1.074 109 L CA 0.115 54.840 54.840 -0.190 0.000 0.795 109 L CB -0.327 41.470 42.059 -0.437 0.000 0.960 109 L HN 0.104 nan 8.230 nan 0.000 0.458 110 V N -0.187 119.704 119.914 -0.039 0.000 2.837 110 V HA 0.240 4.361 4.120 0.000 0.000 0.310 110 V C -0.023 176.139 176.094 0.114 0.000 1.059 110 V CA -0.621 61.695 62.300 0.027 0.000 1.004 110 V CB 1.999 33.764 31.823 -0.096 0.000 1.045 110 V HN 0.172 nan 8.190 nan 0.000 0.465 111 E N 2.417 122.732 120.200 0.191 0.000 2.518 111 E HA 0.382 4.732 4.350 0.000 0.000 0.241 111 E C -2.437 174.325 176.600 0.269 0.000 0.899 111 E CA -2.075 54.453 56.400 0.214 0.000 0.888 111 E CB 1.050 30.815 29.700 0.108 0.000 1.426 111 E HN 0.400 nan 8.360 nan 0.000 0.401 112 P HA 0.056 nan 4.420 nan 0.000 0.248 112 P C -0.799 176.438 177.300 -0.105 0.000 1.553 112 P CA 0.671 63.636 63.100 -0.225 0.000 0.901 112 P CB -0.366 31.223 31.700 -0.184 0.000 1.816 116 I N 2.943 123.661 120.570 0.247 0.000 2.608 116 I HA 0.495 4.665 4.170 0.000 0.000 0.295 116 I C -0.387 175.870 176.117 0.233 0.000 1.049 116 I CA -0.846 60.538 61.300 0.139 0.000 1.063 116 I CB 2.161 40.095 38.000 -0.110 0.000 1.248 116 I HN 0.335 nan 8.210 nan 0.000 0.424 117 M N 4.373 124.088 119.600 0.193 0.000 2.243 117 M HA 0.554 5.034 4.480 0.000 0.000 0.324 117 M C -0.184 176.240 176.300 0.208 0.000 1.031 117 M CA -0.378 55.040 55.300 0.196 0.000 0.949 117 M CB 2.039 34.789 32.600 0.250 0.000 1.615 117 M HN 0.743 nan 8.290 nan 0.000 0.430 118 G N 2.227 111.069 108.800 0.070 0.000 2.574 118 G HA2 0.654 4.614 3.960 0.000 0.000 0.299 118 G HA3 0.654 4.614 3.960 0.000 0.000 0.299 118 G C -1.834 172.733 174.900 -0.554 0.000 1.298 118 G CA -0.764 44.293 45.100 -0.072 0.000 0.952 118 G HN 0.661 nan 8.290 nan 0.000 0.477 119 L N 0.671 121.428 121.223 -0.777 0.000 2.416 119 L HA 0.373 4.713 4.340 0.000 0.000 0.272 119 L C 0.231 176.873 176.870 -0.380 0.000 1.161 119 L CA -0.522 53.735 54.840 -0.972 0.000 0.845 119 L CB 0.809 42.479 42.059 -0.648 0.000 1.119 119 L HN 0.418 nan 8.230 nan 0.000 0.464 120 D N 2.575 122.788 120.400 -0.312 0.000 2.449 120 D HA -0.073 4.567 4.640 0.000 0.000 0.236 120 D C 1.014 177.265 176.300 -0.082 0.000 1.149 120 D CA -0.028 53.899 54.000 -0.123 0.000 0.878 120 D CB 0.965 41.715 40.800 -0.084 0.000 1.198 120 D HN 0.659 nan 8.370 nan 0.000 0.446 121 L N 6.491 127.698 121.223 -0.026 0.000 1.990 121 L HA -0.123 4.217 4.340 0.000 0.000 0.213 121 L C -0.857 175.946 176.870 -0.111 0.000 1.072 121 L CA 1.954 56.719 54.840 -0.124 0.000 0.755 121 L CB -1.441 40.444 42.059 -0.291 0.000 0.889 121 L HN 0.514 nan 8.230 nan 0.000 0.432 122 P HA -0.122 nan 4.420 nan 0.000 0.218 122 P C 0.379 177.647 177.300 -0.052 0.000 1.149 122 P CA 1.391 64.458 63.100 -0.054 0.000 0.817 122 P CB -0.135 31.553 31.700 -0.021 0.000 0.785 123 D N -1.000 119.364 120.400 -0.061 0.000 2.336 123 D HA 0.202 4.842 4.640 0.000 0.000 0.229 123 D C 1.556 177.817 176.300 -0.065 0.000 1.061 123 D CA 0.905 54.869 54.000 -0.060 0.000 0.875 123 D CB -0.352 40.399 40.800 -0.081 0.000 0.904 123 D HN 0.274 nan 8.370 nan 0.000 0.525 124 G N -0.691 108.066 108.800 -0.071 0.000 2.205 124 G HA2 -0.122 3.838 3.960 0.000 0.000 0.180 124 G HA3 -0.122 3.838 3.960 0.000 0.000 0.180 124 G C 0.764 175.622 174.900 -0.070 0.000 1.004 124 G CA -0.229 44.835 45.100 -0.060 0.000 0.670 124 G HN 0.576 nan 8.290 nan 0.000 0.496 125 G N -0.732 108.015 108.800 -0.088 0.000 2.621 125 G HA2 0.540 4.500 3.960 0.000 0.000 0.271 125 G HA3 0.540 4.500 3.960 0.000 0.000 0.271 125 G C -0.237 174.582 174.900 -0.136 0.000 1.236 125 G CA 0.190 45.258 45.100 -0.054 0.000 0.958 125 G HN 0.664 nan 8.290 nan 0.000 0.512 126 H N -1.347 117.431 119.070 -0.486 0.000 2.544 126 H HA 0.404 4.960 4.556 0.000 0.000 0.342 126 H C 1.500 176.649 175.328 -0.298 0.000 1.185 126 H CA -0.808 54.959 56.048 -0.469 0.000 1.264 126 H CB 1.287 30.648 29.762 -0.668 0.000 1.607 126 H HN 0.178 nan 8.280 nan 0.000 0.550 127 L N 0.658 121.358 121.223 -0.872 0.000 2.079 127 L HA -0.149 4.191 4.340 0.000 0.000 0.210 127 L C 1.876 178.731 176.870 -0.025 0.000 1.081 127 L CA 1.885 56.474 54.840 -0.417 0.000 0.752 127 L CB -0.446 41.340 42.059 -0.453 0.000 0.896 127 L HN 0.835 nan 8.230 nan 0.000 0.433 128 T N -5.376 109.283 114.554 0.175 0.000 3.160 128 T HA -0.095 4.255 4.350 0.000 0.000 0.257 128 T C 1.028 176.078 174.700 0.584 0.000 1.147 128 T CA 0.358 62.748 62.100 0.484 0.000 1.064 128 T CB -0.563 68.698 68.868 0.656 0.000 0.949 128 T HN 0.472 nan 8.240 nan 0.000 0.526 129 H N 1.150 120.363 119.070 0.239 0.000 2.537 129 H HA 0.481 5.037 4.556 0.000 0.000 0.295 129 H C 1.219 176.586 175.328 0.064 0.000 1.054 129 H CA -0.451 55.680 56.048 0.138 0.000 1.156 129 H CB -0.017 29.808 29.762 0.105 0.000 1.468 129 H HN 0.630 nan 8.280 nan 0.000 0.551 130 G N 1.330 110.263 108.800 0.221 0.000 2.692 130 G HA2 -0.138 3.823 3.960 0.000 0.000 0.686 130 G HA3 -0.138 3.823 3.960 0.000 0.000 0.686 130 G C -1.256 173.789 174.900 0.242 0.000 1.243 130 G CA -0.641 44.559 45.100 0.167 0.000 0.782 130 G HN 0.267 nan 8.290 nan 0.000 0.625 131 F N 2.367 122.329 119.950 0.019 0.000 3.127 131 F HA 0.627 5.155 4.527 0.000 0.000 0.356 131 F C -0.446 175.348 175.800 -0.010 0.000 1.208 131 F CA -0.959 57.033 58.000 -0.013 0.000 1.250 131 F CB 0.561 39.542 39.000 -0.030 0.000 1.581 131 F HN 0.712 nan 8.300 nan 0.000 0.691 132 M N 2.920 122.035 119.600 -0.809 0.000 2.821 132 M HA 0.723 5.203 4.480 0.000 0.000 0.294 132 M C -0.592 175.279 176.300 -0.716 0.000 1.195 132 M CA -0.912 54.002 55.300 -0.643 0.000 0.784 132 M CB 2.453 34.875 32.600 -0.297 0.000 1.755 132 M HN 0.542 nan 8.290 nan 0.000 0.477 133 T N -0.620 113.700 114.554 -0.390 0.000 2.816 133 T HA 0.182 4.532 4.350 0.000 0.000 0.299 133 T C -1.151 173.458 174.700 -0.151 0.000 1.230 133 T CA -0.628 61.324 62.100 -0.247 0.000 1.007 133 T CB 1.164 69.913 68.868 -0.198 0.000 1.289 133 T HN 0.785 nan 8.240 nan 0.000 0.508 134 D N 1.935 122.276 120.400 -0.098 0.000 2.636 134 D HA 0.067 4.707 4.640 0.000 0.000 0.256 134 D C 0.840 177.101 176.300 -0.065 0.000 1.280 134 D CA 0.376 54.333 54.000 -0.071 0.000 0.910 134 D CB -0.082 40.689 40.800 -0.049 0.000 1.045 134 D HN 0.318 nan 8.370 nan 0.000 0.472 135 I N -1.844 118.693 120.570 -0.055 0.000 3.606 135 I HA -0.102 4.068 4.170 0.000 0.000 0.251 135 I C 0.453 176.637 176.117 0.112 0.000 1.040 135 I CA -0.072 61.270 61.300 0.071 0.000 1.439 135 I CB -1.270 36.884 38.000 0.257 0.000 2.216 135 I HN 0.102 nan 8.210 nan 0.000 0.399 136 S N 2.377 118.185 115.700 0.179 0.000 2.549 136 S HA 0.523 4.993 4.470 0.000 0.000 0.279 136 S C 1.425 176.132 174.600 0.178 0.000 1.321 136 S CA 0.562 58.876 58.200 0.190 0.000 1.054 136 S CB 1.430 64.778 63.200 0.247 0.000 0.899 136 S HN 0.419 nan 8.310 nan 0.000 0.497 137 A N 4.185 127.137 122.820 0.220 0.000 1.986 137 A HA -0.065 4.255 4.320 0.000 0.000 0.220 137 A C 1.837 179.727 177.584 0.509 0.000 1.171 137 A CA 2.141 54.365 52.037 0.311 0.000 0.640 137 A CB -1.410 17.805 19.000 0.358 0.000 0.811 137 A HN 0.874 nan 8.150 nan 0.000 0.451 138 T N 0.497 115.367 114.554 0.526 0.000 3.699 138 T HA 0.089 4.439 4.350 0.000 0.000 0.257 138 T C 1.114 176.044 174.700 0.383 0.000 1.155 138 T CA 0.688 63.120 62.100 0.553 0.000 0.987 138 T CB -0.963 68.123 68.868 0.363 0.000 1.028 138 T HN 0.477 nan 8.240 nan 0.000 0.583 139 I N -0.489 120.048 120.570 -0.055 0.000 3.743 139 I HA -0.398 3.772 4.170 0.000 0.000 0.163 139 I C 0.818 176.657 176.117 -0.463 0.000 0.542 139 I CA 1.782 62.894 61.300 -0.314 0.000 1.179 139 I CB -0.657 37.015 38.000 -0.548 0.000 1.013 139 I HN 0.398 nan 8.210 nan 0.000 0.255 140 F N 1.073 120.933 119.950 -0.150 0.000 2.668 140 F HA 0.238 4.765 4.527 0.000 0.000 0.297 140 F C 0.606 175.816 175.800 -0.983 0.000 1.124 140 F CA 0.181 57.839 58.000 -0.570 0.000 1.353 140 F CB 0.170 38.774 39.000 -0.659 0.000 0.992 140 F HN -0.051 nan 8.300 nan 0.000 0.524 141 E N 0.771 121.146 120.200 0.293 0.000 2.235 141 E HA 0.254 4.604 4.350 0.000 0.000 0.252 141 E C -0.374 176.433 176.600 0.345 0.000 0.886 141 E CA -0.260 56.301 56.400 0.268 0.000 0.767 141 E CB 1.792 31.636 29.700 0.239 0.000 1.205 141 E HN 0.121 nan 8.360 nan 0.000 0.421 142 S N 2.890 118.742 115.700 0.254 0.000 2.654 142 S HA 0.768 5.239 4.470 0.000 0.000 0.283 142 S C -0.009 174.614 174.600 0.038 0.000 1.180 142 S CA -0.746 57.566 58.200 0.186 0.000 1.021 142 S CB 1.501 64.753 63.200 0.086 0.000 1.018 142 S HN 0.525 nan 8.310 nan 0.000 0.532 143 M N 2.576 122.076 119.600 -0.167 0.000 2.277 143 M HA 0.634 5.114 4.480 0.000 0.000 0.282 143 M C -0.931 175.217 176.300 -0.254 0.000 1.074 143 M CA -0.412 54.628 55.300 -0.433 0.000 0.954 143 M CB 1.850 33.717 32.600 -1.221 0.000 1.672 143 M HN 0.983 nan 8.290 nan 0.000 0.471 144 A N 3.590 126.298 122.820 -0.186 0.000 2.340 144 A HA 0.622 4.942 4.320 0.000 0.000 0.268 144 A C -1.432 176.089 177.584 -0.104 0.000 1.100 144 A CA -0.225 51.718 52.037 -0.155 0.000 0.803 144 A CB 0.112 19.037 19.000 -0.124 0.000 1.043 144 A HN 0.891 nan 8.150 nan 0.000 0.488 145 Y N 0.000 120.234 120.300 -0.110 0.000 2.409 145 Y HA 0.717 5.268 4.550 0.000 0.000 0.343 145 Y C -0.225 175.608 175.900 -0.113 0.000 0.973 145 Y CA -1.231 56.798 58.100 -0.119 0.000 1.064 145 Y CB 1.187 39.571 38.460 -0.127 0.000 1.207 145 Y HN 0.596 nan 8.280 nan 0.000 0.452 146 K N 2.910 123.322 120.400 0.021 0.000 2.211 146 K HA 0.698 5.018 4.320 0.000 0.000 0.237 146 K C -0.510 176.084 176.600 -0.010 0.000 1.002 146 K CA -1.207 55.055 56.287 -0.042 0.000 0.885 146 K CB 2.432 34.913 32.500 -0.032 0.000 1.136 146 K HN 0.689 nan 8.250 nan 0.000 0.448 147 V N -1.459 118.440 119.914 -0.025 0.000 2.997 147 V HA 0.262 4.382 4.120 0.000 0.000 0.311 147 V C 0.039 176.162 176.094 0.048 0.000 1.066 147 V CA -0.916 61.396 62.300 0.020 0.000 1.039 147 V CB 1.052 32.909 31.823 0.058 0.000 1.081 147 V HN 0.799 nan 8.190 nan 0.000 0.467 148 N N 2.753 121.509 118.700 0.093 0.000 2.454 148 N HA 0.265 5.006 4.740 0.000 0.000 0.254 148 N C -2.149 173.404 175.510 0.072 0.000 1.228 148 N CA -1.104 51.999 53.050 0.088 0.000 0.900 148 N CB 0.857 39.420 38.487 0.126 0.000 1.089 148 N HN 0.682 nan 8.380 nan 0.000 0.449 149 P HA 0.069 nan 4.420 nan 0.000 0.218 149 P C 0.203 177.526 177.300 0.038 0.000 1.826 149 P CA -0.053 63.069 63.100 0.036 0.000 0.946 149 P CB -0.448 31.266 31.700 0.022 0.000 1.728 150 T N -2.956 111.675 114.554 0.129 0.000 3.774 150 T HA -0.365 3.985 4.350 0.000 0.000 0.225 150 T C 1.633 176.418 174.700 0.141 0.000 0.955 150 T CA 2.187 64.425 62.100 0.230 0.000 1.258 150 T CB -2.068 67.022 68.868 0.370 0.000 0.858 150 T HN 0.437 nan 8.240 nan 0.000 0.570 151 G N -0.399 108.454 108.800 0.088 0.000 2.175 151 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 151 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 151 G C -0.027 174.889 174.900 0.027 0.000 0.982 151 G CA 0.134 45.223 45.100 -0.017 0.000 0.641 151 G HN 0.789 nan 8.290 nan 0.000 0.527 152 Y N 0.421 120.817 120.300 0.160 0.000 2.310 152 Y HA 0.608 5.158 4.550 0.000 0.000 0.326 152 Y C 1.539 177.551 175.900 0.187 0.000 1.151 152 Y CA -0.963 57.294 58.100 0.261 0.000 1.195 152 Y CB 0.763 39.349 38.460 0.211 0.000 1.210 152 Y HN 0.135 nan 8.280 nan 0.000 0.483 153 I N 3.100 123.860 120.570 0.318 0.000 2.741 153 I HA -0.137 4.033 4.170 0.000 0.000 0.288 153 I C 0.261 176.328 176.117 -0.083 0.000 1.192 153 I CA 0.582 61.828 61.300 -0.091 0.000 1.426 153 I CB 0.195 37.890 38.000 -0.508 0.000 1.367 153 I HN 0.579 nan 8.210 nan 0.000 0.563 154 D N 7.124 127.487 120.400 -0.062 0.000 2.453 154 D HA 0.042 4.683 4.640 0.000 0.000 0.223 154 D C 0.508 176.783 176.300 -0.041 0.000 1.183 154 D CA -0.036 53.980 54.000 0.027 0.000 0.933 154 D CB 0.363 41.187 40.800 0.041 0.000 1.038 154 D HN 0.301 nan 8.370 nan 0.000 0.513 155 Y N 1.275 121.577 120.300 0.003 0.000 2.439 155 Y HA -0.059 4.491 4.550 0.000 0.000 0.292 155 Y C 1.887 177.758 175.900 -0.049 0.000 1.130 155 Y CA 0.387 58.457 58.100 -0.050 0.000 1.254 155 Y CB 0.077 38.503 38.460 -0.057 0.000 1.000 155 Y HN 0.333 nan 8.280 nan 0.000 0.554 156 D N -0.282 120.202 120.400 0.141 0.000 2.178 156 D HA -0.120 4.520 4.640 0.000 0.000 0.202 156 D C 2.175 178.496 176.300 0.036 0.000 0.974 156 D CA 0.710 54.752 54.000 0.069 0.000 0.841 156 D CB -0.034 40.797 40.800 0.051 0.000 0.953 156 D HN 0.123 nan 8.370 nan 0.000 0.478 157 R N 0.599 121.115 120.500 0.026 0.000 2.062 157 R HA -0.062 4.278 4.340 0.000 0.000 0.231 157 R C 2.370 178.661 176.300 -0.016 0.000 1.136 157 R CA 0.381 56.484 56.100 0.006 0.000 0.948 157 R CB -1.202 29.103 30.300 0.008 0.000 0.845 157 R HN 0.255 nan 8.270 nan 0.000 0.430 158 L N 1.691 122.879 121.223 -0.058 0.000 1.956 158 L HA -0.233 4.108 4.340 0.000 0.000 0.216 158 L C 2.306 179.134 176.870 -0.071 0.000 1.073 158 L CA 2.537 57.299 54.840 -0.129 0.000 0.762 158 L CB -0.756 41.090 42.059 -0.354 0.000 0.889 158 L HN 0.342 nan 8.230 nan 0.000 0.433 159 E N -0.912 119.264 120.200 -0.039 0.000 2.219 159 E HA -0.284 4.067 4.350 0.000 0.000 0.198 159 E C 1.865 178.469 176.600 0.006 0.000 0.998 159 E CA 1.707 58.104 56.400 -0.005 0.000 0.818 159 E CB -0.150 29.559 29.700 0.016 0.000 0.741 159 E HN 0.747 nan 8.360 nan 0.000 0.477 160 E N -0.289 119.913 120.200 0.004 0.000 2.060 160 E HA -0.072 4.278 4.350 0.000 0.000 0.189 160 E C 1.920 178.522 176.600 0.004 0.000 0.974 160 E CA 0.638 57.043 56.400 0.007 0.000 0.808 160 E CB 0.060 29.764 29.700 0.007 0.000 0.768 160 E HN 0.270 nan 8.360 nan 0.000 0.453 161 N N 0.903 119.601 118.700 -0.002 0.000 2.331 161 N HA -0.062 4.679 4.740 0.000 0.000 0.180 161 N C 1.570 177.094 175.510 0.023 0.000 1.019 161 N CA 0.916 53.965 53.050 -0.002 0.000 0.881 161 N CB -0.114 38.361 38.487 -0.019 0.000 0.972 161 N HN 0.077 nan 8.380 nan 0.000 0.435 162 A N 0.808 123.647 122.820 0.032 0.000 2.067 162 A HA -0.067 4.253 4.320 0.000 0.000 0.219 162 A C 2.239 179.852 177.584 0.050 0.000 1.158 162 A CA 0.895 52.977 52.037 0.074 0.000 0.661 162 A CB -0.322 18.709 19.000 0.052 0.000 0.801 162 A HN 0.164 nan 8.150 nan 0.000 0.452 163 R N -0.849 119.665 120.500 0.023 0.000 2.153 163 R HA 0.135 4.475 4.340 0.000 0.000 0.218 163 R C 1.632 177.873 176.300 -0.099 0.000 1.072 163 R CA 0.828 56.952 56.100 0.040 0.000 0.990 163 R CB -0.142 30.184 30.300 0.043 0.000 0.889 163 R HN 0.541 nan 8.270 nan 0.000 0.452 164 L N -1.519 119.603 121.223 -0.169 0.000 2.253 164 L HA 0.024 4.365 4.340 0.000 0.000 0.205 164 L C 1.768 178.371 176.870 -0.444 0.000 1.078 164 L CA 0.352 55.029 54.840 -0.271 0.000 0.805 164 L CB -0.195 41.820 42.059 -0.073 0.000 0.963 164 L HN 0.141 nan 8.230 nan 0.000 0.459 165 F N 0.746 120.466 119.950 -0.384 0.000 2.416 165 F HA 0.011 4.538 4.527 0.000 0.000 0.296 165 F C 0.618 176.306 175.800 -0.186 0.000 1.099 165 F CA 0.183 58.039 58.000 -0.240 0.000 1.427 165 F CB -0.252 38.696 39.000 -0.087 0.000 1.079 165 F HN 0.190 nan 8.300 nan 0.000 0.536 166 H N -0.087 118.999 119.070 0.026 0.000 2.702 166 H HA -0.122 4.434 4.556 0.000 0.000 0.328 166 H C -2.379 172.862 175.328 -0.145 0.000 1.111 166 H CA -0.123 55.885 56.048 -0.066 0.000 1.109 166 H CB -1.758 27.944 29.762 -0.100 0.000 1.606 166 H HN 0.206 nan 8.280 nan 0.000 0.399 167 P HA 0.072 nan 4.420 nan 0.000 0.276 167 P C 0.215 177.554 177.300 0.066 0.000 1.252 167 P CA -0.389 62.758 63.100 0.079 0.000 0.802 167 P CB 1.388 33.237 31.700 0.248 0.000 1.035 168 K N 0.127 120.568 120.400 0.068 0.000 2.354 168 K HA 0.273 4.594 4.320 0.000 0.000 0.194 168 K C 0.342 177.028 176.600 0.144 0.000 1.038 168 K CA 0.088 56.425 56.287 0.083 0.000 1.052 168 K CB 0.371 32.922 32.500 0.086 0.000 0.861 168 K HN 0.362 nan 8.250 nan 0.000 0.535 169 L N 0.632 121.934 121.223 0.132 0.000 2.565 169 L HA 0.451 4.792 4.340 0.000 0.000 0.261 169 L C -1.821 175.133 176.870 0.139 0.000 0.932 169 L CA -0.624 54.309 54.840 0.155 0.000 0.878 169 L CB 1.762 43.902 42.059 0.135 0.000 1.333 169 L HN -0.128 nan 8.230 nan 0.000 0.409 170 I N 5.040 125.700 120.570 0.150 0.000 2.441 170 I HA 0.446 4.617 4.170 0.000 0.000 0.295 170 I C -0.464 175.740 176.117 0.144 0.000 0.994 170 I CA -0.583 60.803 61.300 0.144 0.000 1.144 170 I CB 1.906 39.969 38.000 0.105 0.000 1.314 170 I HN 0.475 nan 8.210 nan 0.000 0.445 171 I N 5.283 125.937 120.570 0.140 0.000 2.359 171 I HA 0.490 4.660 4.170 0.000 0.000 0.294 171 I C 0.148 176.332 176.117 0.112 0.000 0.987 171 I CA -0.459 60.874 61.300 0.055 0.000 1.225 171 I CB 1.702 39.608 38.000 -0.157 0.000 1.366 171 I HN 0.583 nan 8.210 nan 0.000 0.466 172 A N 5.125 128.014 122.820 0.115 0.000 2.431 172 A HA 0.833 5.153 4.320 0.000 0.000 0.318 172 A C -0.107 177.590 177.584 0.188 0.000 1.330 172 A CA -0.385 51.764 52.037 0.186 0.000 0.804 172 A CB 0.601 19.779 19.000 0.298 0.000 1.135 172 A HN 0.920 nan 8.150 nan 0.000 0.483 173 G N 0.459 109.346 108.800 0.146 0.000 2.556 173 G HA2 0.667 4.627 3.960 0.000 0.000 0.294 173 G HA3 0.667 4.627 3.960 0.000 0.000 0.294 173 G C -0.755 174.293 174.900 0.247 0.000 1.516 173 G CA 0.251 45.479 45.100 0.214 0.000 0.824 173 G HN 1.450 nan 8.290 nan 0.000 0.535 174 T N -2.234 112.450 114.554 0.216 0.000 2.865 174 T HA 0.747 5.097 4.350 0.000 0.000 0.294 174 T C 0.357 175.119 174.700 0.104 0.000 1.119 174 T CA 0.075 62.255 62.100 0.133 0.000 1.007 174 T CB 1.890 70.790 68.868 0.054 0.000 1.225 174 T HN 0.604 nan 8.240 nan 0.000 0.515 175 S N -0.681 115.020 115.700 0.001 0.000 2.559 175 S HA 0.306 4.776 4.470 0.000 0.000 0.226 175 S C 0.151 174.545 174.600 -0.342 0.000 1.030 175 S CA -0.224 57.908 58.200 -0.114 0.000 0.956 175 S CB 0.104 63.341 63.200 0.062 0.000 0.900 175 S HN 0.904 nan 8.310 nan 0.000 0.510 176 C N 1.892 121.095 119.300 -0.162 0.000 3.354 176 C HA 0.600 5.060 4.460 0.000 0.000 0.314 176 C C -1.804 173.198 174.990 0.020 0.000 1.019 176 C CA -0.447 58.492 59.018 -0.131 0.000 1.293 176 C CB -0.772 26.910 27.740 -0.097 0.000 1.747 176 C HN 0.468 nan 8.230 nan 0.000 0.580 177 Y N 2.826 123.027 120.300 -0.163 0.000 2.358 177 Y HA 0.380 4.930 4.550 0.000 0.000 0.324 177 Y C 0.761 176.588 175.900 -0.122 0.000 1.123 177 Y CA -0.218 57.807 58.100 -0.125 0.000 1.067 177 Y CB 1.896 40.311 38.460 -0.075 0.000 1.230 177 Y HN 0.386 nan 8.280 nan 0.000 0.429 178 S N 4.168 119.603 115.700 -0.441 0.000 2.474 178 S HA 0.064 4.534 4.470 0.000 0.000 0.235 178 S C 0.590 174.955 174.600 -0.392 0.000 0.997 178 S CA 0.639 58.612 58.200 -0.377 0.000 0.949 178 S CB -0.188 62.794 63.200 -0.364 0.000 0.766 178 S HN 0.407 nan 8.310 nan 0.000 0.517 179 R N 1.798 121.879 120.500 -0.699 0.000 2.782 179 R HA 0.394 4.734 4.340 0.000 0.000 0.258 179 R C -0.373 175.937 176.300 0.017 0.000 1.055 179 R CA -0.758 55.121 56.100 -0.370 0.000 1.065 179 R CB 0.064 30.105 30.300 -0.433 0.000 1.172 179 R HN 0.103 nan 8.270 nan 0.000 0.510 180 N N 1.237 119.988 118.700 0.086 0.000 2.520 180 N HA 0.164 4.904 4.740 0.000 0.000 0.273 180 N C -0.166 175.428 175.510 0.140 0.000 1.155 180 N CA -0.047 53.075 53.050 0.120 0.000 0.967 180 N CB 0.743 39.286 38.487 0.094 0.000 1.092 180 N HN 0.252 nan 8.380 nan 0.000 0.457 181 L N 0.890 122.082 121.223 -0.051 0.000 2.350 181 L HA 0.154 4.495 4.340 0.000 0.000 0.275 181 L C 0.892 177.543 176.870 -0.366 0.000 1.099 181 L CA -0.593 54.134 54.840 -0.188 0.000 0.808 181 L CB 0.522 42.254 42.059 -0.546 0.000 1.149 181 L HN 0.357 nan 8.230 nan 0.000 0.442 182 D N 1.421 121.717 120.400 -0.174 0.000 2.551 182 D HA 0.021 4.661 4.640 0.000 0.000 0.223 182 D C 0.751 176.922 176.300 -0.215 0.000 1.144 182 D CA -0.016 53.836 54.000 -0.247 0.000 1.025 182 D CB 0.202 40.740 40.800 -0.437 0.000 1.085 182 D HN 0.302 nan 8.370 nan 0.000 0.506 183 Y N 1.047 121.286 120.300 -0.102 0.000 2.315 183 Y HA -0.066 4.485 4.550 0.000 0.000 0.288 183 Y C 2.476 178.149 175.900 -0.378 0.000 1.154 183 Y CA 1.169 59.179 58.100 -0.150 0.000 1.229 183 Y CB -0.401 38.008 38.460 -0.085 0.000 0.980 183 Y HN 0.413 nan 8.280 nan 0.000 0.540 184 G N -0.214 108.312 108.800 -0.458 0.000 2.433 184 G HA2 -0.298 3.662 3.960 0.000 0.000 0.216 184 G HA3 -0.298 3.662 3.960 0.000 0.000 0.216 184 G C 1.770 176.569 174.900 -0.168 0.000 1.186 184 G CA 0.988 45.799 45.100 -0.481 0.000 0.779 184 G HN 0.321 nan 8.290 nan 0.000 0.543 185 R N -0.139 120.267 120.500 -0.158 0.000 2.075 185 R HA 0.137 4.477 4.340 0.000 0.000 0.232 185 R C 2.598 178.885 176.300 -0.022 0.000 1.126 185 R CA 0.793 56.829 56.100 -0.107 0.000 0.963 185 R CB -0.378 29.793 30.300 -0.216 0.000 0.858 185 R HN 0.376 nan 8.270 nan 0.000 0.435 186 L N 0.317 121.548 121.223 0.013 0.000 2.042 186 L HA -0.187 4.153 4.340 0.000 0.000 0.210 186 L C 2.762 179.681 176.870 0.081 0.000 1.076 186 L CA 1.113 55.993 54.840 0.068 0.000 0.749 186 L CB -0.453 41.671 42.059 0.109 0.000 0.893 186 L HN 0.178 nan 8.230 nan 0.000 0.432 187 R N 0.554 121.106 120.500 0.085 0.000 2.096 187 R HA -0.136 4.204 4.340 0.000 0.000 0.235 187 R C 2.172 178.530 176.300 0.096 0.000 1.127 187 R CA 1.343 57.516 56.100 0.121 0.000 0.968 187 R CB -0.201 30.185 30.300 0.143 0.000 0.861 187 R HN 0.394 nan 8.270 nan 0.000 0.440 188 K N 0.093 120.528 120.400 0.059 0.000 1.985 188 K HA -0.097 4.223 4.320 0.000 0.000 0.210 188 K C 2.235 178.863 176.600 0.047 0.000 1.047 188 K CA 1.583 57.897 56.287 0.046 0.000 0.932 188 K CB -0.308 32.205 32.500 0.020 0.000 0.716 188 K HN 0.155 nan 8.250 nan 0.000 0.439 189 I N 1.132 121.727 120.570 0.041 0.000 2.194 189 I HA -0.315 3.855 4.170 0.000 0.000 0.246 189 I C 2.573 178.721 176.117 0.051 0.000 1.093 189 I CA 1.273 62.595 61.300 0.037 0.000 1.355 189 I CB -0.503 37.508 38.000 0.019 0.000 1.046 189 I HN 0.178 nan 8.210 nan 0.000 0.413 190 A N 0.703 123.567 122.820 0.074 0.000 1.858 190 A HA -0.235 4.085 4.320 0.000 0.000 0.216 190 A C 2.032 179.660 177.584 0.074 0.000 1.190 190 A CA 2.074 54.166 52.037 0.093 0.000 0.617 190 A CB -0.662 18.435 19.000 0.161 0.000 0.827 190 A HN 0.349 nan 8.150 nan 0.000 0.443 191 D N -0.708 119.746 120.400 0.089 0.000 2.149 191 D HA -0.177 4.463 4.640 0.000 0.000 0.198 191 D C 1.853 178.173 176.300 0.032 0.000 0.990 191 D CA 1.514 55.552 54.000 0.063 0.000 0.839 191 D CB -0.397 40.449 40.800 0.077 0.000 0.948 191 D HN 0.768 nan 8.370 nan 0.000 0.460 192 E N 0.412 120.633 120.200 0.036 0.000 2.265 192 E HA -0.144 4.206 4.350 0.000 0.000 0.196 192 E C 1.183 177.799 176.600 0.027 0.000 0.996 192 E CA 0.815 57.231 56.400 0.028 0.000 0.832 192 E CB 0.150 29.868 29.700 0.031 0.000 0.756 192 E HN 0.191 nan 8.360 nan 0.000 0.491 193 N N -0.575 118.143 118.700 0.031 0.000 2.205 193 N HA 0.052 4.792 4.740 0.000 0.000 0.201 193 N C 0.426 175.932 175.510 -0.007 0.000 1.128 193 N CA 0.707 53.776 53.050 0.033 0.000 0.867 193 N CB 1.344 39.871 38.487 0.066 0.000 0.996 193 N HN 0.243 nan 8.380 nan 0.000 0.503 194 G N 1.266 110.046 108.800 -0.034 0.000 2.272 194 G HA2 -0.183 3.778 3.960 0.000 0.000 0.280 194 G HA3 -0.183 3.778 3.960 0.000 0.000 0.280 194 G C -0.058 174.751 174.900 -0.151 0.000 1.067 194 G CA 0.419 45.460 45.100 -0.098 0.000 0.902 194 G HN 0.553 nan 8.290 nan 0.000 0.500 195 A N -0.748 122.003 122.820 -0.115 0.000 2.350 195 A HA 0.891 5.211 4.320 0.000 0.000 0.318 195 A C -0.468 177.013 177.584 -0.170 0.000 1.132 195 A CA -0.907 51.070 52.037 -0.100 0.000 0.811 195 A CB 1.106 20.124 19.000 0.030 0.000 1.313 195 A HN 0.608 nan 8.150 nan 0.000 0.454 196 Y N -0.217 120.029 120.300 -0.091 0.000 2.310 196 Y HA 0.461 5.011 4.550 0.000 0.000 0.326 196 Y C 0.134 176.076 175.900 0.070 0.000 1.151 196 Y CA -0.172 57.801 58.100 -0.211 0.000 1.195 196 Y CB 1.418 39.757 38.460 -0.202 0.000 1.210 196 Y HN 0.527 nan 8.280 nan 0.000 0.483 197 L N 5.570 127.093 121.223 0.499 0.000 2.257 197 L HA 0.460 4.800 4.340 0.000 0.000 0.290 197 L C -0.688 176.382 176.870 0.333 0.000 1.044 197 L CA -0.483 54.589 54.840 0.386 0.000 0.810 197 L CB 0.508 42.784 42.059 0.363 0.000 1.193 197 L HN 0.723 nan 8.230 nan 0.000 0.425 198 M N 5.373 125.103 119.600 0.216 0.000 2.181 198 M HA 0.743 5.223 4.480 0.000 0.000 0.323 198 M C -0.968 175.394 176.300 0.104 0.000 1.004 198 M CA -0.478 54.908 55.300 0.143 0.000 0.941 198 M CB 1.431 34.095 32.600 0.107 0.000 1.579 198 M HN 0.749 nan 8.290 nan 0.000 0.427 199 A N 3.325 126.171 122.820 0.044 0.000 2.305 199 A HA 0.511 4.831 4.320 0.000 0.000 0.322 199 A C -1.082 176.501 177.584 -0.003 0.000 1.187 199 A CA -0.501 51.554 52.037 0.031 0.000 0.825 199 A CB 0.724 19.646 19.000 -0.130 0.000 1.164 199 A HN 0.782 nan 8.150 nan 0.000 0.498 200 D N 2.755 123.189 120.400 0.057 0.000 2.438 200 D HA 0.283 4.924 4.640 0.000 0.000 0.257 200 D C 0.419 176.781 176.300 0.103 0.000 1.148 200 D CA -0.380 53.666 54.000 0.076 0.000 0.902 200 D CB 0.465 41.361 40.800 0.160 0.000 1.062 200 D HN 0.485 nan 8.370 nan 0.000 0.518 201 M N 1.413 121.031 119.600 0.030 0.000 2.631 201 M HA 0.440 4.920 4.480 0.000 0.000 0.241 201 M C 1.161 177.495 176.300 0.057 0.000 1.255 201 M CA -0.427 54.903 55.300 0.049 0.000 0.983 201 M CB 0.762 33.327 32.600 -0.058 0.000 1.580 201 M HN 0.125 nan 8.290 nan 0.000 0.464 202 A N 0.776 123.626 122.820 0.051 0.000 1.884 202 A HA -0.230 4.090 4.320 0.000 0.000 0.219 202 A C 1.780 179.329 177.584 -0.058 0.000 1.197 202 A CA 2.333 54.354 52.037 -0.026 0.000 0.637 202 A CB -1.172 17.782 19.000 -0.078 0.000 0.827 202 A HN 0.757 nan 8.150 nan 0.000 0.450 203 H N -0.461 118.618 119.070 0.015 0.000 2.389 203 H HA 0.043 4.599 4.556 0.000 0.000 0.299 203 H C 1.737 176.995 175.328 -0.117 0.000 1.081 203 H CA 1.697 57.761 56.048 0.025 0.000 1.345 203 H CB -0.071 29.807 29.762 0.194 0.000 1.393 203 H HN 0.665 nan 8.280 nan 0.000 0.520 204 I N -0.988 119.636 120.570 0.089 0.000 3.928 204 I HA 0.152 4.322 4.170 0.000 0.000 0.335 204 I C 1.873 178.026 176.117 0.061 0.000 1.325 204 I CA 0.333 61.646 61.300 0.023 0.000 1.107 204 I CB 0.200 38.278 38.000 0.131 0.000 1.014 204 I HN 0.099 nan 8.210 nan 0.000 0.400 205 S N 1.954 117.699 115.700 0.075 0.000 2.365 205 S HA -0.167 4.303 4.470 0.000 0.000 0.225 205 S C 2.072 176.816 174.600 0.241 0.000 1.039 205 S CA 1.507 59.814 58.200 0.177 0.000 1.033 205 S CB -1.518 61.783 63.200 0.167 0.000 0.887 205 S HN 0.560 nan 8.310 nan 0.000 0.447 206 G N 2.065 110.972 108.800 0.178 0.000 2.459 206 G HA2 -0.094 3.866 3.960 0.000 0.000 0.217 206 G HA3 -0.094 3.866 3.960 0.000 0.000 0.217 206 G C 1.453 176.466 174.900 0.188 0.000 1.183 206 G CA 1.096 46.368 45.100 0.286 0.000 0.776 206 G HN 0.520 nan 8.290 nan 0.000 0.552 207 L N 0.323 121.572 121.223 0.043 0.000 2.127 207 L HA -0.073 4.267 4.340 0.000 0.000 0.211 207 L C 2.916 179.832 176.870 0.077 0.000 1.089 207 L CA 0.550 55.396 54.840 0.010 0.000 0.757 207 L CB -0.464 41.584 42.059 -0.018 0.000 0.899 207 L HN 0.088 nan 8.230 nan 0.000 0.434 208 V N -1.365 118.634 119.914 0.140 0.000 2.548 208 V HA -0.189 3.931 4.120 0.000 0.000 0.249 208 V C 2.322 178.498 176.094 0.136 0.000 1.055 208 V CA 1.142 63.550 62.300 0.179 0.000 1.065 208 V CB -0.029 31.954 31.823 0.267 0.000 0.681 208 V HN 0.217 nan 8.190 nan 0.000 0.462 209 V N 0.350 120.304 119.914 0.066 0.000 2.427 209 V HA -0.200 3.920 4.120 0.000 0.000 0.248 209 V C 2.636 178.711 176.094 -0.033 0.000 1.051 209 V CA 1.939 64.128 62.300 -0.184 0.000 1.048 209 V CB -0.839 30.835 31.823 -0.248 0.000 0.666 209 V HN 0.560 nan 8.190 nan 0.000 0.456 210 A N -0.824 122.043 122.820 0.079 0.000 2.014 210 A HA 0.253 4.574 4.320 0.000 0.000 0.218 210 A C 2.099 179.693 177.584 0.017 0.000 1.163 210 A CA 1.571 53.645 52.037 0.060 0.000 0.652 210 A CB -0.455 18.561 19.000 0.026 0.000 0.808 210 A HN 1.226 nan 8.150 nan 0.000 0.449 211 G N -2.480 106.331 108.800 0.020 0.000 2.179 211 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 211 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 211 G C 0.945 175.857 174.900 0.020 0.000 0.990 211 G CA 0.534 45.644 45.100 0.017 0.000 0.646 211 G HN 0.671 nan 8.290 nan 0.000 0.517 212 V N 0.390 120.311 119.914 0.012 0.000 2.261 212 V HA 0.048 4.168 4.120 0.000 0.000 0.246 212 V C 2.061 178.171 176.094 0.028 0.000 1.047 212 V CA 2.151 64.453 62.300 0.003 0.000 1.015 212 V CB -0.784 31.023 31.823 -0.026 0.000 0.642 212 V HN 1.331 nan 8.190 nan 0.000 0.446 213 V N -2.739 117.207 119.914 0.054 0.000 2.975 213 V HA 0.624 4.744 4.120 0.000 0.000 0.318 213 V C -2.720 173.438 176.094 0.107 0.000 1.077 213 V CA -2.521 59.830 62.300 0.084 0.000 1.000 213 V CB 1.004 32.894 31.823 0.110 0.000 1.066 213 V HN 0.182 nan 8.190 nan 0.000 0.452 214 P HA 0.235 nan 4.420 nan 0.000 0.271 214 P C -0.353 177.046 177.300 0.164 0.000 1.218 214 P CA 0.173 63.363 63.100 0.150 0.000 0.780 214 P CB 0.666 32.474 31.700 0.181 0.000 0.901 215 S N 3.093 118.860 115.700 0.112 0.000 2.531 215 S HA 0.171 4.641 4.470 0.000 0.000 0.279 215 S C -1.136 173.417 174.600 -0.078 0.000 1.305 215 S CA -1.224 57.015 58.200 0.064 0.000 1.058 215 S CB -0.076 63.171 63.200 0.079 0.000 0.899 215 S HN 0.343 nan 8.310 nan 0.000 0.493 216 P HA 0.025 nan 4.420 nan 0.000 0.224 216 P C 1.036 178.040 177.300 -0.494 0.000 1.157 216 P CA 0.695 63.257 63.100 -0.898 0.000 0.799 216 P CB -0.063 30.951 31.700 -1.144 0.000 0.809 217 F N 1.321 121.013 119.950 -0.430 0.000 2.346 217 F HA -0.130 4.397 4.527 0.000 0.000 0.301 217 F C 2.428 178.117 175.800 -0.184 0.000 1.070 217 F CA 1.315 59.036 58.000 -0.464 0.000 1.407 217 F CB -0.799 37.721 39.000 -0.800 0.000 1.072 217 F HN 0.043 nan 8.300 nan 0.000 0.543 218 E N -1.176 119.011 120.200 -0.022 0.000 2.285 218 E HA -0.138 4.212 4.350 0.000 0.000 0.194 218 E C 1.163 177.541 176.600 -0.371 0.000 0.997 218 E CA 0.971 57.262 56.400 -0.183 0.000 0.845 218 E CB 0.064 29.579 29.700 -0.308 0.000 0.782 218 E HN 0.548 nan 8.360 nan 0.000 0.491 219 H N -2.283 116.802 119.070 0.024 0.000 3.091 219 H HA 0.260 4.816 4.556 0.000 0.000 0.249 219 H C 0.199 175.508 175.328 -0.032 0.000 0.985 219 H CA -0.264 55.794 56.048 0.018 0.000 1.177 219 H CB 0.397 30.197 29.762 0.063 0.000 1.456 219 H HN 0.034 nan 8.280 nan 0.000 0.467 220 C N 1.474 120.834 119.300 0.101 0.000 2.604 220 C HA 0.100 4.560 4.460 0.000 0.000 0.396 220 C C 1.384 176.447 174.990 0.120 0.000 1.282 220 C CA -0.144 58.933 59.018 0.099 0.000 2.292 220 C CB 0.573 28.335 27.740 0.036 0.000 2.633 220 C HN 0.636 nan 8.230 nan 0.000 0.620 221 H N -0.253 118.916 119.070 0.165 0.000 2.497 221 H HA 0.255 4.811 4.556 0.000 0.000 0.282 221 H C 0.244 175.584 175.328 0.019 0.000 1.003 221 H CA 0.687 56.762 56.048 0.044 0.000 1.307 221 H CB 0.019 29.909 29.762 0.214 0.000 1.437 221 H HN 0.419 nan 8.280 nan 0.000 0.544 222 V N 0.252 120.322 119.914 0.260 0.000 2.971 222 V HA 0.487 4.607 4.120 0.000 0.000 0.309 222 V C -0.925 175.256 176.094 0.144 0.000 1.130 222 V CA -1.083 61.350 62.300 0.222 0.000 0.964 222 V CB 2.935 34.817 31.823 0.099 0.000 1.029 222 V HN -0.142 nan 8.190 nan 0.000 0.427 223 V N 1.767 121.757 119.914 0.126 0.000 2.612 223 V HA 0.655 4.776 4.120 0.000 0.000 0.301 223 V C 0.008 176.134 176.094 0.053 0.000 1.059 223 V CA -0.281 61.967 62.300 -0.086 0.000 0.886 223 V CB 2.089 33.545 31.823 -0.610 0.000 1.007 223 V HN 1.122 nan 8.190 nan 0.000 0.426 224 T N 0.346 114.908 114.554 0.015 0.000 2.952 224 T HA 0.894 5.244 4.350 0.000 0.000 0.286 224 T C -0.307 174.414 174.700 0.036 0.000 1.024 224 T CA -0.663 61.464 62.100 0.046 0.000 1.029 224 T CB 2.247 71.119 68.868 0.006 0.000 1.094 224 T HN 0.894 nan 8.240 nan 0.000 0.515 225 T N 0.396 114.980 114.554 0.050 0.000 2.831 225 T HA 0.526 4.876 4.350 0.000 0.000 0.333 225 T C -0.631 174.089 174.700 0.033 0.000 1.684 225 T CA -0.341 61.781 62.100 0.037 0.000 1.049 225 T CB 1.136 70.041 68.868 0.063 0.000 1.518 225 T HN 1.205 nan 8.240 nan 0.000 0.491 226 T N 0.450 114.992 114.554 -0.020 0.000 2.849 226 T HA 0.469 4.819 4.350 0.000 0.000 0.284 226 T C 1.259 175.970 174.700 0.020 0.000 1.004 226 T CA 0.123 62.206 62.100 -0.028 0.000 1.021 226 T CB 0.953 69.605 68.868 -0.361 0.000 1.013 226 T HN 0.856 nan 8.240 nan 0.000 0.527 227 T N -2.029 112.611 114.554 0.145 0.000 3.214 227 T HA 0.154 4.504 4.350 0.000 0.000 0.264 227 T C 0.772 175.572 174.700 0.168 0.000 1.012 227 T CA -0.262 61.923 62.100 0.140 0.000 0.901 227 T CB -0.563 68.384 68.868 0.132 0.000 1.070 227 T HN 0.981 nan 8.240 nan 0.000 0.561 228 H N -1.243 117.847 119.070 0.032 0.000 3.367 228 H HA 0.452 5.008 4.556 0.000 0.000 0.257 228 H C 0.852 176.182 175.328 0.003 0.000 1.201 228 H CA -0.573 55.489 56.048 0.024 0.000 1.102 228 H CB -0.007 29.763 29.762 0.013 0.000 1.656 228 H HN 0.221 nan 8.280 nan 0.000 0.662 229 K N 1.185 121.391 120.400 -0.323 0.000 2.099 229 K HA 0.033 4.353 4.320 0.000 0.000 0.203 229 K C 1.253 177.805 176.600 -0.080 0.000 1.047 229 K CA 1.727 57.861 56.287 -0.254 0.000 0.963 229 K CB 0.427 32.667 32.500 -0.433 0.000 0.759 229 K HN 0.303 nan 8.250 nan 0.000 0.451 230 T N -1.855 112.678 114.554 -0.034 0.000 3.058 230 T HA 0.146 4.496 4.350 0.000 0.000 0.278 230 T C 1.134 175.987 174.700 0.254 0.000 0.974 230 T CA -0.345 61.791 62.100 0.060 0.000 0.893 230 T CB 0.310 69.117 68.868 -0.102 0.000 1.138 230 T HN -0.094 nan 8.240 nan 0.000 0.529 231 L N 1.568 122.921 121.223 0.216 0.000 2.477 231 L HA 0.545 4.885 4.340 0.000 0.000 0.220 231 L C 1.353 178.375 176.870 0.253 0.000 1.106 231 L CA 0.751 55.750 54.840 0.265 0.000 0.851 231 L CB -1.004 41.139 42.059 0.140 0.000 0.994 231 L HN 0.464 nan 8.230 nan 0.000 0.462 232 R N -0.726 119.903 120.500 0.215 0.000 3.531 232 R HA -0.160 4.180 4.340 0.000 0.000 0.280 232 R C 0.611 176.994 176.300 0.137 0.000 1.130 232 R CA 0.467 56.678 56.100 0.184 0.000 0.757 232 R CB -1.637 28.806 30.300 0.238 0.000 1.218 232 R HN 0.547 nan 8.270 nan 0.000 0.454 233 G N -0.519 108.361 108.800 0.133 0.000 2.736 233 G HA2 0.495 4.455 3.960 0.000 0.000 0.229 233 G HA3 0.495 4.455 3.960 0.000 0.000 0.229 233 G C 0.378 175.350 174.900 0.120 0.000 1.380 233 G CA -0.161 45.002 45.100 0.106 0.000 1.040 233 G HN 0.495 nan 8.290 nan 0.000 0.568 234 C N -1.895 117.455 119.300 0.083 0.000 2.345 234 C HA 0.762 5.222 4.460 0.000 0.000 0.369 234 C C 0.561 175.548 174.990 -0.005 0.000 1.273 234 C CA -1.329 57.711 59.018 0.036 0.000 2.310 234 C CB 0.359 28.115 27.740 0.026 0.000 2.219 234 C HN 0.635 nan 8.230 nan 0.000 0.587 235 R N 1.321 121.724 120.500 -0.162 0.000 2.351 235 R HA 0.553 4.893 4.340 0.000 0.000 0.318 235 R C 0.181 176.433 176.300 -0.080 0.000 1.055 235 R CA 0.864 56.748 56.100 -0.360 0.000 0.968 235 R CB 0.224 30.234 30.300 -0.482 0.000 0.974 235 R HN 1.063 nan 8.270 nan 0.000 0.439 236 A N 1.592 124.445 122.820 0.055 0.000 2.483 236 A HA 0.753 5.073 4.320 0.000 0.000 0.294 236 A C -1.211 176.459 177.584 0.143 0.000 1.077 236 A CA -0.348 51.748 52.037 0.098 0.000 0.633 236 A CB 1.280 20.319 19.000 0.065 0.000 1.318 236 A HN 0.701 nan 8.150 nan 0.000 0.455 237 G N -0.851 108.000 108.800 0.086 0.000 2.672 237 G HA2 0.707 4.667 3.960 0.000 0.000 0.292 237 G HA3 0.707 4.667 3.960 0.000 0.000 0.292 237 G C -1.054 173.847 174.900 0.002 0.000 1.375 237 G CA -0.626 44.510 45.100 0.060 0.000 0.890 237 G HN 0.820 nan 8.290 nan 0.000 0.476 238 M N 0.149 119.735 119.600 -0.024 0.000 2.550 238 M HA 0.556 5.036 4.480 0.000 0.000 0.292 238 M C -1.298 174.938 176.300 -0.107 0.000 1.221 238 M CA -0.610 54.615 55.300 -0.125 0.000 0.873 238 M CB 3.021 35.456 32.600 -0.275 0.000 1.727 238 M HN 0.256 nan 8.290 nan 0.000 0.459 239 I N 1.617 122.105 120.570 -0.137 0.000 2.447 239 I HA 0.459 4.629 4.170 0.000 0.000 0.287 239 I C -1.429 174.663 176.117 -0.041 0.000 1.023 239 I CA -0.312 60.986 61.300 -0.004 0.000 1.083 239 I CB 1.516 39.558 38.000 0.071 0.000 1.245 239 I HN 0.495 nan 8.210 nan 0.000 0.434 240 F N 6.385 126.370 119.950 0.060 0.000 2.420 240 F HA 0.530 5.057 4.527 0.000 0.000 0.342 240 F C -0.242 175.685 175.800 0.212 0.000 1.113 240 F CA -0.505 57.538 58.000 0.072 0.000 1.059 240 F CB 1.132 40.263 39.000 0.219 0.000 1.128 240 F HN 0.299 nan 8.300 nan 0.000 0.475 241 Y N 0.124 120.687 120.300 0.439 0.000 2.553 241 Y HA 0.666 5.216 4.550 0.000 0.000 0.347 241 Y C -0.503 175.222 175.900 -0.292 0.000 1.019 241 Y CA -1.899 56.248 58.100 0.078 0.000 1.032 241 Y CB 0.829 39.264 38.460 -0.042 0.000 1.284 241 Y HN 0.337 nan 8.280 nan 0.000 0.466 242 R N 2.297 122.437 120.500 -0.600 0.000 2.490 242 R HA 0.431 4.771 4.340 0.000 0.000 0.280 242 R C -0.594 175.379 176.300 -0.545 0.000 1.077 242 R CA -0.521 54.927 56.100 -1.086 0.000 1.065 242 R CB 0.977 30.394 30.300 -1.473 0.000 1.003 242 R HN 1.052 nan 8.270 nan 0.000 0.470 243 R N 0.154 120.418 120.500 -0.393 0.000 2.564 243 R HA 0.690 5.031 4.340 0.000 0.000 0.284 243 R C -0.615 175.695 176.300 0.018 0.000 1.031 243 R CA -0.757 55.312 56.100 -0.053 0.000 0.904 243 R CB 1.911 32.245 30.300 0.056 0.000 1.199 243 R HN 0.767 nan 8.270 nan 0.000 0.443 248 L N 6.605 127.772 121.223 -0.093 0.000 2.400 248 L HA 0.515 4.855 4.340 0.000 0.000 0.264 248 L C -0.625 176.179 176.870 -0.110 0.000 1.061 248 L CA -0.630 54.158 54.840 -0.087 0.000 0.799 248 L CB 0.506 42.560 42.059 -0.008 0.000 1.240 248 L HN 0.371 nan 8.230 nan 0.000 0.461 249 Y N 0.248 120.549 120.300 0.002 0.000 2.326 249 Y HA 0.191 4.741 4.550 0.000 0.000 0.333 249 Y C 0.398 176.296 175.900 -0.005 0.000 1.240 249 Y CA 0.151 58.261 58.100 0.016 0.000 1.365 249 Y CB 0.596 39.062 38.460 0.010 0.000 1.289 249 Y HN 0.525 nan 8.280 nan 0.000 0.548 250 N N -0.307 118.498 118.700 0.176 0.000 2.269 250 N HA 0.284 5.024 4.740 0.000 0.000 0.304 250 N C 0.074 175.575 175.510 -0.014 0.000 1.072 250 N CA 0.553 53.635 53.050 0.054 0.000 0.802 250 N CB 1.066 39.573 38.487 0.033 0.000 1.348 250 N HN 0.785 nan 8.380 nan 0.000 0.484 251 S N 1.920 117.445 115.700 -0.291 0.000 2.083 251 S HA -0.276 4.194 4.470 0.000 0.000 0.220 251 S C 0.843 175.324 174.600 -0.198 0.000 1.119 251 S CA 1.290 59.361 58.200 -0.214 0.000 1.692 251 S CB -1.554 61.570 63.200 -0.126 0.000 2.260 251 S HN 0.586 nan 8.310 nan 0.000 0.584 252 L N 2.628 123.735 121.223 -0.194 0.000 2.786 252 L HA 0.047 4.387 4.340 0.000 0.000 0.250 252 L C 1.813 178.570 176.870 -0.189 0.000 1.151 252 L CA 0.700 55.443 54.840 -0.161 0.000 0.910 252 L CB -1.255 40.716 42.059 -0.146 0.000 1.082 252 L HN 0.407 nan 8.230 nan 0.000 0.433 253 N N -0.073 118.472 118.700 -0.258 0.000 1.575 253 N HA -0.358 4.382 4.740 0.000 0.000 0.123 253 N C 1.779 177.297 175.510 0.014 0.000 0.413 253 N CA 2.178 55.126 53.050 -0.171 0.000 0.870 253 N CB -0.721 37.482 38.487 -0.474 0.000 0.669 253 N HN 0.324 nan 8.380 nan 0.000 1.398 254 S N -0.109 115.559 115.700 -0.054 0.000 2.383 254 S HA -0.023 4.447 4.470 0.000 0.000 0.229 254 S C 1.978 176.562 174.600 -0.026 0.000 1.030 254 S CA 1.244 59.434 58.200 -0.016 0.000 1.002 254 S CB -0.265 62.901 63.200 -0.056 0.000 0.829 254 S HN 0.677 nan 8.310 nan 0.000 0.467 255 A N 0.646 123.441 122.820 -0.043 0.000 1.930 255 A HA -0.008 4.312 4.320 0.000 0.000 0.217 255 A C 2.261 179.841 177.584 -0.008 0.000 1.175 255 A CA 1.234 53.245 52.037 -0.043 0.000 0.627 255 A CB -0.601 18.357 19.000 -0.071 0.000 0.815 255 A HN 0.363 nan 8.150 nan 0.000 0.443 256 V N -2.572 117.364 119.914 0.036 0.000 2.488 256 V HA 0.111 4.231 4.120 0.000 0.000 0.246 256 V C 0.577 176.749 176.094 0.130 0.000 1.046 256 V CA 1.525 63.860 62.300 0.059 0.000 1.053 256 V CB -0.489 31.389 31.823 0.090 0.000 0.679 256 V HN 0.524 nan 8.190 nan 0.000 0.458 257 F N 0.429 120.392 119.950 0.022 0.000 2.639 257 F HA 0.455 4.982 4.527 0.000 0.000 0.320 257 F C -2.466 173.353 175.800 0.032 0.000 1.128 257 F CA -1.560 56.424 58.000 -0.026 0.000 1.037 257 F CB 1.832 40.737 39.000 -0.159 0.000 1.288 257 F HN -0.161 nan 8.300 nan 0.000 0.463 258 P HA 0.132 nan 4.420 nan 0.000 0.253 258 P C 1.036 178.011 177.300 -0.541 0.000 1.281 258 P CA 0.849 63.067 63.100 -1.470 0.000 0.792 258 P CB 0.193 31.209 31.700 -1.140 0.000 1.193 259 G N 1.188 109.819 108.800 -0.282 0.000 2.511 259 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 259 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 259 G C 1.364 176.220 174.900 -0.074 0.000 1.218 259 G CA 0.722 45.741 45.100 -0.134 0.000 0.788 259 G HN 0.292 nan 8.290 nan 0.000 0.560 260 L N -0.970 120.236 121.223 -0.028 0.000 2.547 260 L HA 0.297 4.637 4.340 0.000 0.000 0.218 260 L C 1.484 178.365 176.870 0.018 0.000 1.048 260 L CA 0.066 54.915 54.840 0.015 0.000 0.859 260 L CB 0.165 42.263 42.059 0.065 0.000 1.128 260 L HN 0.196 nan 8.230 nan 0.000 0.483 261 Q N -0.949 118.865 119.800 0.024 0.000 2.194 261 Q HA 0.444 4.784 4.340 0.000 0.000 0.245 261 Q C 0.122 176.263 176.000 0.234 0.000 0.993 261 Q CA -0.161 55.666 55.803 0.041 0.000 0.930 261 Q CB 1.680 30.269 28.738 -0.248 0.000 1.238 261 Q HN 0.128 nan 8.270 nan 0.000 0.486 262 G N -0.371 108.588 108.800 0.265 0.000 3.392 262 G HA2 0.450 4.410 3.960 0.000 0.000 0.188 262 G HA3 0.450 4.410 3.960 0.000 0.000 0.188 262 G C -0.297 174.727 174.900 0.206 0.000 1.485 262 G CA -0.186 45.104 45.100 0.316 0.000 0.943 262 G HN 0.570 nan 8.290 nan 0.000 0.627 263 G N 1.295 110.244 108.800 0.248 0.000 2.390 263 G HA2 0.536 4.496 3.960 0.000 0.000 0.270 263 G HA3 0.536 4.496 3.960 0.000 0.000 0.270 263 G C -2.228 172.647 174.900 -0.041 0.000 1.211 263 G CA -0.627 44.508 45.100 0.058 0.000 0.842 263 G HN 0.378 nan 8.290 nan 0.000 0.519 264 P HA 0.063 nan 4.420 nan 0.000 0.269 264 P C -0.805 176.482 177.300 -0.023 0.000 1.215 264 P CA -0.147 62.904 63.100 -0.082 0.000 0.780 264 P CB 0.742 32.350 31.700 -0.152 0.000 0.898 265 H N 2.268 121.281 119.070 -0.096 0.000 2.820 265 H HA 0.185 4.741 4.556 0.000 0.000 0.278 265 H C 1.348 176.471 175.328 -0.342 0.000 1.142 265 H CA -0.253 55.620 56.048 -0.291 0.000 1.346 265 H CB -0.252 29.232 29.762 -0.464 0.000 1.438 265 H HN 0.354 nan 8.280 nan 0.000 0.473 266 N N 1.741 120.404 118.700 -0.061 0.000 2.188 266 N HA -0.141 4.599 4.740 0.000 0.000 0.184 266 N C 1.844 177.327 175.510 -0.045 0.000 1.018 266 N CA 0.806 53.836 53.050 -0.034 0.000 0.858 266 N CB -0.006 38.500 38.487 0.031 0.000 0.989 266 N HN 0.721 nan 8.380 nan 0.000 0.426 267 H N 0.053 119.121 119.070 -0.004 0.000 2.421 267 H HA 0.115 4.671 4.556 0.000 0.000 0.298 267 H C 1.806 177.138 175.328 0.007 0.000 1.087 267 H CA 1.296 57.338 56.048 -0.010 0.000 1.330 267 H CB -0.532 29.208 29.762 -0.036 0.000 1.388 267 H HN 0.115 nan 8.280 nan 0.000 0.526 268 A N 2.174 124.697 122.820 -0.495 0.000 1.873 268 A HA -0.020 4.300 4.320 0.000 0.000 0.215 268 A C 2.741 180.269 177.584 -0.093 0.000 1.186 268 A CA 1.307 53.206 52.037 -0.230 0.000 0.616 268 A CB -0.778 18.076 19.000 -0.243 0.000 0.823 268 A HN 0.354 nan 8.150 nan 0.000 0.442 269 I N -0.140 120.373 120.570 -0.094 0.000 2.361 269 I HA -0.275 3.895 4.170 0.000 0.000 0.251 269 I C 2.898 179.005 176.117 -0.017 0.000 1.133 269 I CA 0.866 62.142 61.300 -0.041 0.000 1.413 269 I CB -0.483 37.494 38.000 -0.038 0.000 1.073 269 I HN 0.380 nan 8.210 nan 0.000 0.424 270 A N 1.419 124.233 122.820 -0.010 0.000 1.835 270 A HA -0.134 4.186 4.320 0.000 0.000 0.215 270 A C 2.504 180.095 177.584 0.011 0.000 1.199 270 A CA 1.977 54.020 52.037 0.010 0.000 0.615 270 A CB -1.542 17.476 19.000 0.031 0.000 0.838 270 A HN 0.418 nan 8.150 nan 0.000 0.444 271 G N -0.695 108.115 108.800 0.017 0.000 2.469 271 G HA2 -0.150 3.810 3.960 0.000 0.000 0.220 271 G HA3 -0.150 3.810 3.960 0.000 0.000 0.220 271 G C 1.473 176.382 174.900 0.015 0.000 1.136 271 G CA 1.383 46.496 45.100 0.022 0.000 0.759 271 G HN 0.358 nan 8.290 nan 0.000 0.562 272 V N 1.339 121.259 119.914 0.011 0.000 2.427 272 V HA -0.091 4.029 4.120 0.000 0.000 0.248 272 V C 3.279 179.374 176.094 0.002 0.000 1.051 272 V CA 1.854 64.163 62.300 0.014 0.000 1.048 272 V CB -0.776 31.056 31.823 0.016 0.000 0.666 272 V HN 0.483 nan 8.190 nan 0.000 0.456 273 A N -0.101 122.719 122.820 -0.001 0.000 1.902 273 A HA -0.156 4.164 4.320 0.000 0.000 0.217 273 A C 2.418 179.993 177.584 -0.015 0.000 1.181 273 A CA 2.061 54.095 52.037 -0.006 0.000 0.623 273 A CB -0.695 18.304 19.000 -0.002 0.000 0.818 273 A HN 0.319 nan 8.150 nan 0.000 0.443 274 V N -0.140 119.768 119.914 -0.010 0.000 2.295 274 V HA -0.269 3.851 4.120 0.000 0.000 0.246 274 V C 3.063 179.138 176.094 -0.032 0.000 1.049 274 V CA 2.053 64.345 62.300 -0.014 0.000 1.024 274 V CB -1.183 30.640 31.823 -0.001 0.000 0.648 274 V HN 0.620 nan 8.190 nan 0.000 0.447 275 A N -0.656 122.147 122.820 -0.029 0.000 1.972 275 A HA -0.127 4.193 4.320 0.000 0.000 0.219 275 A C 2.182 179.684 177.584 -0.135 0.000 1.169 275 A CA 1.563 53.564 52.037 -0.059 0.000 0.635 275 A CB -0.483 18.505 19.000 -0.020 0.000 0.810 275 A HN 0.525 nan 8.150 nan 0.000 0.446 276 L N -0.989 120.174 121.223 -0.099 0.000 2.217 276 L HA -0.147 4.193 4.340 0.000 0.000 0.211 276 L C 3.151 179.930 176.870 -0.151 0.000 1.107 276 L CA 1.306 56.067 54.840 -0.132 0.000 0.783 276 L CB -0.615 41.412 42.059 -0.054 0.000 0.919 276 L HN 0.550 nan 8.230 nan 0.000 0.442 277 K N 0.264 120.602 120.400 -0.103 0.000 1.973 277 K HA -0.199 4.121 4.320 0.000 0.000 0.210 277 K C 1.837 178.370 176.600 -0.112 0.000 1.045 277 K CA 1.549 57.785 56.287 -0.085 0.000 0.937 277 K CB -1.194 31.276 32.500 -0.050 0.000 0.721 277 K HN 0.405 nan 8.250 nan 0.000 0.438 278 Q N -0.302 119.435 119.800 -0.104 0.000 2.290 278 Q HA -0.158 4.182 4.340 0.000 0.000 0.211 278 Q C 2.325 178.208 176.000 -0.196 0.000 0.991 278 Q CA 1.399 57.147 55.803 -0.091 0.000 0.893 278 Q CB -0.425 28.280 28.738 -0.055 0.000 0.913 278 Q HN 0.654 nan 8.270 nan 0.000 0.428 279 A N 0.091 122.635 122.820 -0.460 0.000 2.119 279 A HA -0.008 4.313 4.320 0.000 0.000 0.216 279 A C 1.863 179.208 177.584 -0.398 0.000 1.152 279 A CA 0.580 52.043 52.037 -0.957 0.000 0.708 279 A CB -0.138 18.223 19.000 -1.065 0.000 0.805 279 A HN 0.259 nan 8.150 nan 0.000 0.460 280 M N 0.140 119.613 119.600 -0.212 0.000 2.435 280 M HA 0.001 4.481 4.480 0.000 0.000 0.265 280 M C 1.194 177.481 176.300 -0.022 0.000 1.104 280 M CA 0.763 55.995 55.300 -0.113 0.000 1.140 280 M CB -0.194 32.341 32.600 -0.109 0.000 1.372 280 M HN 0.488 nan 8.290 nan 0.000 0.456 281 T N -0.409 114.148 114.554 0.005 0.000 2.940 281 T HA 0.060 4.410 4.350 0.000 0.000 0.309 281 T C -1.622 173.140 174.700 0.103 0.000 1.056 281 T CA -1.352 60.777 62.100 0.049 0.000 1.137 281 T CB 0.381 69.282 68.868 0.055 0.000 0.976 281 T HN 0.102 nan 8.240 nan 0.000 0.547 282 P HA -0.066 nan 4.420 nan 0.000 0.225 282 P C 0.826 178.182 177.300 0.093 0.000 1.148 282 P CA 0.916 64.060 63.100 0.073 0.000 0.779 282 P CB 0.200 31.926 31.700 0.043 0.000 0.780 283 E N -0.827 119.438 120.200 0.109 0.000 2.107 283 E HA -0.106 4.244 4.350 0.000 0.000 0.191 283 E C 1.726 178.427 176.600 0.169 0.000 0.982 283 E CA 0.797 57.265 56.400 0.113 0.000 0.809 283 E CB -0.941 28.817 29.700 0.097 0.000 0.756 283 E HN 0.211 nan 8.360 nan 0.000 0.459 284 F N 1.495 121.490 119.950 0.075 0.000 2.113 284 F HA -0.098 4.429 4.527 0.000 0.000 0.297 284 F C 2.027 177.910 175.800 0.137 0.000 1.103 284 F CA 1.391 59.473 58.000 0.136 0.000 1.248 284 F CB 0.075 39.122 39.000 0.078 0.000 0.999 284 F HN -0.176 nan 8.300 nan 0.000 0.475 285 K N -0.173 120.335 120.400 0.180 0.000 2.152 285 K HA -0.265 4.055 4.320 0.000 0.000 0.206 285 K C 2.051 178.635 176.600 -0.026 0.000 1.048 285 K CA 1.746 58.068 56.287 0.060 0.000 0.933 285 K CB -0.147 32.398 32.500 0.074 0.000 0.721 285 K HN 0.217 nan 8.250 nan 0.000 0.447 286 E N -0.413 119.792 120.200 0.008 0.000 2.112 286 E HA -0.174 4.176 4.350 0.000 0.000 0.190 286 E C 1.729 178.313 176.600 -0.027 0.000 0.979 286 E CA 0.973 57.371 56.400 -0.002 0.000 0.814 286 E CB -0.326 29.394 29.700 0.033 0.000 0.762 286 E HN 0.385 nan 8.360 nan 0.000 0.460 287 Y N 0.708 120.921 120.300 -0.146 0.000 2.224 287 Y HA -0.143 4.407 4.550 0.000 0.000 0.289 287 Y C 2.051 177.807 175.900 -0.241 0.000 1.146 287 Y CA 1.946 59.936 58.100 -0.183 0.000 1.182 287 Y CB -0.376 37.939 38.460 -0.241 0.000 0.983 287 Y HN 0.075 nan 8.280 nan 0.000 0.524 288 Q N 0.589 120.017 119.800 -0.619 0.000 2.230 288 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 288 Q C 2.410 178.187 176.000 -0.372 0.000 0.963 288 Q CA 1.417 56.825 55.803 -0.658 0.000 0.866 288 Q CB -0.259 28.192 28.738 -0.479 0.000 0.931 288 Q HN 0.539 nan 8.270 nan 0.000 0.452 289 R N -0.923 119.435 120.500 -0.236 0.000 2.119 289 R HA -0.096 4.244 4.340 0.000 0.000 0.222 289 R C 1.909 178.120 176.300 -0.148 0.000 1.088 289 R CA 0.967 56.980 56.100 -0.146 0.000 0.984 289 R CB 0.130 30.380 30.300 -0.084 0.000 0.884 289 R HN 0.126 nan 8.270 nan 0.000 0.447 290 Q N 0.317 120.018 119.800 -0.164 0.000 2.016 290 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 290 Q C 1.927 177.812 176.000 -0.191 0.000 0.978 290 Q CA 1.921 57.648 55.803 -0.126 0.000 0.833 290 Q CB -0.373 28.332 28.738 -0.055 0.000 0.895 290 Q HN 0.172 nan 8.270 nan 0.000 0.427 291 V N -0.166 119.561 119.914 -0.312 0.000 2.250 291 V HA -0.337 3.783 4.120 0.000 0.000 0.253 291 V C 2.327 178.282 176.094 -0.232 0.000 1.065 291 V CA 2.035 64.147 62.300 -0.313 0.000 1.039 291 V CB -0.911 30.632 31.823 -0.466 0.000 0.647 291 V HN 0.281 nan 8.190 nan 0.000 0.446 292 V N 0.140 119.940 119.914 -0.191 0.000 2.295 292 V HA -0.241 3.879 4.120 0.000 0.000 0.246 292 V C 2.678 178.683 176.094 -0.148 0.000 1.049 292 V CA 2.000 64.219 62.300 -0.135 0.000 1.024 292 V CB -1.334 30.430 31.823 -0.098 0.000 0.648 292 V HN 0.570 nan 8.190 nan 0.000 0.447 293 A N 0.477 123.211 122.820 -0.143 0.000 1.902 293 A HA -0.229 4.091 4.320 0.000 0.000 0.217 293 A C 2.063 179.534 177.584 -0.189 0.000 1.181 293 A CA 2.004 53.965 52.037 -0.128 0.000 0.623 293 A CB -0.725 18.219 19.000 -0.093 0.000 0.818 293 A HN 0.567 nan 8.150 nan 0.000 0.443 294 N N -0.541 117.988 118.700 -0.284 0.000 2.289 294 N HA -0.144 4.596 4.740 0.000 0.000 0.184 294 N C 1.667 176.808 175.510 -0.616 0.000 1.016 294 N CA 1.333 54.052 53.050 -0.552 0.000 0.872 294 N CB -0.846 37.133 38.487 -0.847 0.000 0.973 294 N HN 0.603 nan 8.380 nan 0.000 0.433 295 C N 0.808 119.874 119.300 -0.390 0.000 2.486 295 C HA 0.133 4.593 4.460 0.000 0.000 0.279 295 C C 2.630 177.507 174.990 -0.189 0.000 1.302 295 C CA 0.291 59.139 59.018 -0.283 0.000 1.720 295 C CB -0.705 26.921 27.740 -0.189 0.000 2.030 295 C HN 0.384 nan 8.230 nan 0.000 0.490 296 R N 0.571 120.981 120.500 -0.151 0.000 2.096 296 R HA -0.085 4.256 4.340 0.000 0.000 0.235 296 R C 2.377 178.628 176.300 -0.082 0.000 1.127 296 R CA 1.585 57.627 56.100 -0.098 0.000 0.968 296 R CB -0.374 29.880 30.300 -0.076 0.000 0.861 296 R HN 0.635 nan 8.270 nan 0.000 0.440 297 A N 1.202 123.961 122.820 -0.101 0.000 1.828 297 A HA -0.195 4.125 4.320 0.000 0.000 0.215 297 A C 2.037 179.606 177.584 -0.024 0.000 1.203 297 A CA 1.306 53.314 52.037 -0.048 0.000 0.614 297 A CB -0.833 18.148 19.000 -0.032 0.000 0.844 297 A HN 0.272 nan 8.150 nan 0.000 0.445 298 L N 0.359 121.554 121.223 -0.047 0.000 2.051 298 L HA -0.200 4.141 4.340 0.000 0.000 0.214 298 L C 2.495 179.356 176.870 -0.014 0.000 1.076 298 L CA 2.678 57.531 54.840 0.022 0.000 0.758 298 L CB -0.784 41.296 42.059 0.035 0.000 0.890 298 L HN 0.364 nan 8.230 nan 0.000 0.433 299 S N -0.169 115.503 115.700 -0.047 0.000 2.363 299 S HA -0.219 4.252 4.470 0.000 0.000 0.218 299 S C 2.087 176.676 174.600 -0.019 0.000 1.035 299 S CA 1.395 59.571 58.200 -0.041 0.000 1.043 299 S CB -0.991 62.178 63.200 -0.053 0.000 0.986 299 S HN 0.715 nan 8.310 nan 0.000 0.423 300 A N 1.934 124.743 122.820 -0.018 0.000 1.896 300 A HA -0.163 4.157 4.320 0.000 0.000 0.220 300 A C 2.405 179.992 177.584 0.005 0.000 1.206 300 A CA 2.414 54.448 52.037 -0.006 0.000 0.647 300 A CB -1.477 17.518 19.000 -0.008 0.000 0.828 300 A HN 0.608 nan 8.150 nan 0.000 0.455 301 A N -0.875 121.950 122.820 0.009 0.000 1.948 301 A HA -0.107 4.213 4.320 0.000 0.000 0.220 301 A C 2.214 179.806 177.584 0.012 0.000 1.177 301 A CA 1.781 53.828 52.037 0.016 0.000 0.636 301 A CB -0.570 18.450 19.000 0.034 0.000 0.815 301 A HN 0.519 nan 8.150 nan 0.000 0.449 302 L N -1.220 120.005 121.223 0.004 0.000 2.131 302 L HA -0.075 4.265 4.340 0.000 0.000 0.206 302 L C 2.503 179.444 176.870 0.120 0.000 1.087 302 L CA 0.538 55.387 54.840 0.014 0.000 0.767 302 L CB -0.372 41.631 42.059 -0.094 0.000 0.917 302 L HN 0.227 nan 8.230 nan 0.000 0.441 303 V N 0.326 120.279 119.914 0.065 0.000 2.287 303 V HA -0.337 3.783 4.120 0.000 0.000 0.248 303 V C 2.456 178.574 176.094 0.040 0.000 1.053 303 V CA 2.207 64.542 62.300 0.058 0.000 1.027 303 V CB -0.381 31.455 31.823 0.023 0.000 0.646 303 V HN 0.532 nan 8.190 nan 0.000 0.447 304 E N -0.383 119.831 120.200 0.023 0.000 2.333 304 E HA -0.174 4.176 4.350 0.000 0.000 0.198 304 E C 1.768 178.361 176.600 -0.011 0.000 1.007 304 E CA 0.892 57.294 56.400 0.004 0.000 0.845 304 E CB -0.063 29.638 29.700 0.001 0.000 0.766 304 E HN 0.612 nan 8.360 nan 0.000 0.507 305 L N -0.934 120.292 121.223 0.006 0.000 2.607 305 L HA 0.295 4.635 4.340 0.000 0.000 0.228 305 L C 1.249 178.058 176.870 -0.101 0.000 1.123 305 L CA 0.360 55.157 54.840 -0.072 0.000 0.890 305 L CB 0.609 42.584 42.059 -0.140 0.000 1.103 305 L HN 0.381 nan 8.230 nan 0.000 0.468 306 G N -1.356 107.414 108.800 -0.050 0.000 2.159 306 G HA2 -0.285 3.675 3.960 0.000 0.000 0.227 306 G HA3 -0.285 3.675 3.960 0.000 0.000 0.227 306 G C -0.110 174.682 174.900 -0.181 0.000 0.986 306 G CA -0.580 44.441 45.100 -0.133 0.000 0.651 306 G HN 0.199 nan 8.290 nan 0.000 0.523 307 Y N 0.326 120.606 120.300 -0.033 0.000 2.299 307 Y HA 0.621 5.171 4.550 0.000 0.000 0.326 307 Y C 0.730 176.617 175.900 -0.021 0.000 1.164 307 Y CA -0.525 57.564 58.100 -0.017 0.000 1.234 307 Y CB 1.203 39.656 38.460 -0.011 0.000 1.219 307 Y HN 0.044 nan 8.280 nan 0.000 0.497 308 K N 3.097 123.573 120.400 0.126 0.000 2.201 308 K HA 0.373 4.693 4.320 0.000 0.000 0.278 308 K C -1.251 175.382 176.600 0.056 0.000 1.027 308 K CA -0.270 56.055 56.287 0.063 0.000 0.909 308 K CB 0.320 32.837 32.500 0.028 0.000 1.062 308 K HN 0.453 nan 8.250 nan 0.000 0.465 309 I N 5.810 126.392 120.570 0.020 0.000 2.385 309 I HA 0.100 4.270 4.170 0.000 0.000 0.294 309 I C 1.512 177.605 176.117 -0.040 0.000 0.988 309 I CA -0.454 60.837 61.300 -0.016 0.000 1.265 309 I CB 1.326 39.305 38.000 -0.034 0.000 1.388 309 I HN 0.486 nan 8.210 nan 0.000 0.480 310 V N 4.752 124.627 119.914 -0.065 0.000 2.231 310 V HA -0.266 3.854 4.120 0.000 0.000 0.248 310 V C 2.011 178.033 176.094 -0.120 0.000 1.054 310 V CA 2.723 64.973 62.300 -0.083 0.000 1.015 310 V CB -0.871 30.897 31.823 -0.092 0.000 0.638 310 V HN 0.933 nan 8.190 nan 0.000 0.444 311 T N -2.497 111.936 114.554 -0.202 0.000 3.219 311 T HA 0.406 4.756 4.350 0.000 0.000 0.249 311 T C 1.361 176.001 174.700 -0.100 0.000 1.099 311 T CA 0.819 62.769 62.100 -0.250 0.000 0.988 311 T CB 0.385 68.912 68.868 -0.568 0.000 0.999 311 T HN 0.962 nan 8.240 nan 0.000 0.550 312 G N -0.184 108.575 108.800 -0.067 0.000 2.258 312 G HA2 0.053 4.013 3.960 0.000 0.000 0.233 312 G HA3 0.053 4.013 3.960 0.000 0.000 0.233 312 G C 0.408 175.285 174.900 -0.038 0.000 1.006 312 G CA -0.361 44.724 45.100 -0.026 0.000 0.620 312 G HN 1.241 nan 8.290 nan 0.000 0.511 313 G N -1.482 107.276 108.800 -0.071 0.000 2.677 313 G HA2 0.797 4.757 3.960 0.000 0.000 0.283 313 G HA3 0.797 4.757 3.960 0.000 0.000 0.283 313 G C -0.832 173.998 174.900 -0.117 0.000 1.221 313 G CA 0.818 45.874 45.100 -0.073 0.000 0.851 313 G HN 1.724 nan 8.290 nan 0.000 0.504 314 S N -1.325 114.313 115.700 -0.103 0.000 2.543 314 S HA 0.499 4.969 4.470 0.000 0.000 0.274 314 S C -1.389 173.162 174.600 -0.083 0.000 1.149 314 S CA -0.321 57.803 58.200 -0.126 0.000 0.866 314 S CB 1.859 64.979 63.200 -0.133 0.000 1.111 314 S HN 0.356 nan 8.310 nan 0.000 0.457 315 D N 2.110 122.466 120.400 -0.074 0.000 2.369 315 D HA 0.224 4.864 4.640 0.000 0.000 0.211 315 D C 0.500 176.798 176.300 -0.002 0.000 1.077 315 D CA 0.392 54.376 54.000 -0.027 0.000 0.842 315 D CB 0.133 40.931 40.800 -0.002 0.000 0.947 315 D HN 0.669 nan 8.370 nan 0.000 0.509 316 N N -1.088 117.609 118.700 -0.006 0.000 3.664 316 N HA -0.041 4.699 4.740 0.000 0.000 0.334 316 N C 0.750 176.294 175.510 0.057 0.000 1.536 316 N CA -0.476 52.615 53.050 0.070 0.000 0.649 316 N CB -0.065 38.550 38.487 0.214 0.000 3.017 316 N HN -0.159 nan 8.380 nan 0.000 0.574 317 H N -0.365 118.672 119.070 -0.055 0.000 2.547 317 H HA 0.335 4.891 4.556 0.000 0.000 0.266 317 H C -0.044 175.255 175.328 -0.049 0.000 0.988 317 H CA 0.058 56.068 56.048 -0.063 0.000 1.147 317 H CB -0.672 29.071 29.762 -0.031 0.000 1.365 317 H HN 0.528 nan 8.280 nan 0.000 0.589 318 L N -0.572 120.377 121.223 -0.457 0.000 2.341 318 L HA 0.703 5.043 4.340 0.000 0.000 0.254 318 L C -0.775 175.953 176.870 -0.236 0.000 1.040 318 L CA -1.864 52.748 54.840 -0.381 0.000 0.837 318 L CB 1.986 43.728 42.059 -0.528 0.000 1.425 318 L HN 0.057 nan 8.230 nan 0.000 0.414 319 I N -1.091 119.372 120.570 -0.179 0.000 2.802 319 I HA 0.717 4.887 4.170 0.000 0.000 0.298 319 I C -1.601 174.444 176.117 -0.121 0.000 1.176 319 I CA -1.074 60.140 61.300 -0.144 0.000 1.025 319 I CB 2.294 40.229 38.000 -0.110 0.000 1.243 319 I HN 0.660 nan 8.210 nan 0.000 0.424 320 L N 5.931 127.086 121.223 -0.113 0.000 2.277 320 L HA 0.580 4.921 4.340 0.000 0.000 0.284 320 L C -0.817 176.018 176.870 -0.058 0.000 1.028 320 L CA -0.451 54.337 54.840 -0.085 0.000 0.835 320 L CB 1.329 43.334 42.059 -0.090 0.000 1.215 320 L HN 0.535 nan 8.230 nan 0.000 0.425 321 V N 4.549 124.439 119.914 -0.040 0.000 2.461 321 V HA 0.258 4.379 4.120 0.000 0.000 0.275 321 V C -0.006 176.101 176.094 0.022 0.000 1.047 321 V CA -0.545 61.751 62.300 -0.006 0.000 0.955 321 V CB 1.293 33.100 31.823 -0.027 0.000 0.988 321 V HN 0.665 nan 8.190 nan 0.000 0.471 322 D N 4.579 125.007 120.400 0.047 0.000 2.380 322 D HA 0.234 4.874 4.640 0.000 0.000 0.230 322 D C 0.658 177.008 176.300 0.084 0.000 1.154 322 D CA -0.174 53.852 54.000 0.042 0.000 0.859 322 D CB 1.367 42.181 40.800 0.023 0.000 1.045 322 D HN 0.463 nan 8.370 nan 0.000 0.495 323 L N 3.678 124.946 121.223 0.075 0.000 2.645 323 L HA 0.127 4.467 4.340 0.000 0.000 0.235 323 L C 2.154 179.045 176.870 0.034 0.000 1.150 323 L CA 0.043 54.941 54.840 0.096 0.000 0.911 323 L CB 0.053 42.162 42.059 0.084 0.000 1.077 323 L HN 0.199 nan 8.230 nan 0.000 0.438 324 R N -0.100 120.408 120.500 0.013 0.000 2.189 324 R HA -0.086 4.254 4.340 0.000 0.000 0.218 324 R C 2.446 178.734 176.300 -0.021 0.000 1.074 324 R CA 1.332 57.428 56.100 -0.007 0.000 0.991 324 R CB -0.027 30.268 30.300 -0.009 0.000 0.883 324 R HN 0.394 nan 8.270 nan 0.000 0.457 325 S N 0.094 115.778 115.700 -0.028 0.000 2.515 325 S HA 0.030 4.500 4.470 0.000 0.000 0.231 325 S C 1.400 175.936 174.600 -0.106 0.000 0.987 325 S CA 0.659 58.821 58.200 -0.063 0.000 0.936 325 S CB 0.252 63.409 63.200 -0.073 0.000 0.766 325 S HN 0.005 nan 8.310 nan 0.000 0.528 326 K N 0.577 120.921 120.400 -0.093 0.000 2.414 326 K HA 0.338 4.658 4.320 0.000 0.000 0.204 326 K C 1.141 177.715 176.600 -0.042 0.000 1.026 326 K CA 0.381 56.605 56.287 -0.106 0.000 1.108 326 K CB 0.178 32.601 32.500 -0.128 0.000 0.855 326 K HN 0.494 nan 8.250 nan 0.000 0.517 327 G N 1.392 110.172 108.800 -0.033 0.000 2.155 327 G HA2 -0.284 3.676 3.960 0.000 0.000 0.257 327 G HA3 -0.284 3.676 3.960 0.000 0.000 0.257 327 G C 0.432 175.320 174.900 -0.020 0.000 0.983 327 G CA 1.296 46.382 45.100 -0.023 0.000 0.676 327 G HN 0.411 nan 8.290 nan 0.000 0.528 328 T N -0.491 114.052 114.554 -0.018 0.000 2.633 328 T HA 0.632 4.982 4.350 0.000 0.000 0.262 328 T C -1.103 173.568 174.700 -0.047 0.000 0.920 328 T CA 0.381 62.458 62.100 -0.039 0.000 1.062 328 T CB 1.594 70.445 68.868 -0.029 0.000 1.390 328 T HN 0.497 nan 8.240 nan 0.000 0.549 329 D N -1.135 119.215 120.400 -0.083 0.000 2.531 329 D HA 0.348 4.988 4.640 0.000 0.000 0.244 329 D C 0.923 177.177 176.300 -0.076 0.000 1.090 329 D CA -0.537 53.417 54.000 -0.076 0.000 0.989 329 D CB 1.331 42.072 40.800 -0.098 0.000 1.433 329 D HN 0.710 nan 8.370 nan 0.000 0.492 330 G N -0.487 108.280 108.800 -0.055 0.000 2.534 330 G HA2 -0.033 3.927 3.960 0.000 0.000 0.217 330 G HA3 -0.033 3.927 3.960 0.000 0.000 0.217 330 G C 1.240 176.102 174.900 -0.063 0.000 1.128 330 G CA 0.850 45.923 45.100 -0.044 0.000 0.784 330 G HN 0.583 nan 8.290 nan 0.000 0.542 331 G N 0.869 109.612 108.800 -0.095 0.000 2.453 331 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 331 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 331 G C 1.894 176.706 174.900 -0.147 0.000 1.201 331 G CA 0.737 45.773 45.100 -0.107 0.000 0.784 331 G HN 0.420 nan 8.290 nan 0.000 0.545 332 R N 0.504 120.817 120.500 -0.312 0.000 2.070 332 R HA 0.056 4.396 4.340 0.000 0.000 0.233 332 R C 3.086 179.321 176.300 -0.108 0.000 1.137 332 R CA 1.236 56.999 56.100 -0.561 0.000 0.945 332 R CB -0.521 29.089 30.300 -1.150 0.000 0.845 332 R HN 0.332 nan 8.270 nan 0.000 0.430 333 A N 1.291 124.070 122.820 -0.068 0.000 1.884 333 A HA -0.313 4.007 4.320 0.000 0.000 0.219 333 A C 2.075 179.690 177.584 0.051 0.000 1.197 333 A CA 1.960 54.015 52.037 0.030 0.000 0.637 333 A CB -0.768 18.243 19.000 0.019 0.000 0.827 333 A HN 0.512 nan 8.150 nan 0.000 0.450 334 E N -0.572 119.642 120.200 0.023 0.000 2.108 334 E HA -0.292 4.058 4.350 0.000 0.000 0.203 334 E C 1.836 178.469 176.600 0.055 0.000 1.022 334 E CA 1.729 58.146 56.400 0.029 0.000 0.823 334 E CB -0.071 29.636 29.700 0.011 0.000 0.744 334 E HN 0.408 nan 8.360 nan 0.000 0.456 335 K N 0.014 120.468 120.400 0.090 0.000 2.155 335 K HA -0.059 4.261 4.320 0.000 0.000 0.203 335 K C 2.168 178.833 176.600 0.110 0.000 1.052 335 K CA 0.782 57.139 56.287 0.117 0.000 0.948 335 K CB -0.155 32.459 32.500 0.190 0.000 0.728 335 K HN 0.145 nan 8.250 nan 0.000 0.448 336 V N 1.477 121.476 119.914 0.142 0.000 2.407 336 V HA -0.148 3.972 4.120 0.000 0.000 0.245 336 V C 2.380 178.507 176.094 0.055 0.000 1.041 336 V CA 1.128 63.482 62.300 0.090 0.000 1.040 336 V CB -0.390 31.507 31.823 0.124 0.000 0.671 336 V HN 0.137 nan 8.190 nan 0.000 0.455 337 L N 0.056 121.314 121.223 0.058 0.000 2.131 337 L HA -0.181 4.159 4.340 0.000 0.000 0.210 337 L C 2.589 179.479 176.870 0.033 0.000 1.092 337 L CA 1.773 56.638 54.840 0.042 0.000 0.759 337 L CB -0.472 41.611 42.059 0.041 0.000 0.903 337 L HN 0.437 nan 8.230 nan 0.000 0.435 338 E N 0.539 120.761 120.200 0.036 0.000 2.051 338 E HA -0.261 4.090 4.350 0.000 0.000 0.192 338 E C 2.184 178.796 176.600 0.020 0.000 0.991 338 E CA 1.239 57.656 56.400 0.029 0.000 0.799 338 E CB -0.032 29.688 29.700 0.032 0.000 0.748 338 E HN 0.460 nan 8.360 nan 0.000 0.449 339 A N 0.067 122.899 122.820 0.019 0.000 2.125 339 A HA -0.135 4.186 4.320 0.000 0.000 0.219 339 A C 2.040 179.626 177.584 0.003 0.000 1.156 339 A CA 1.086 53.128 52.037 0.008 0.000 0.671 339 A CB -0.415 18.587 19.000 0.002 0.000 0.794 339 A HN 0.471 nan 8.150 nan 0.000 0.459 340 C N -0.416 118.886 119.300 0.005 0.000 2.693 340 C HA 0.394 4.855 4.460 0.000 0.000 0.286 340 C C 1.385 176.361 174.990 -0.022 0.000 1.277 340 C CA 0.356 59.370 59.018 -0.007 0.000 1.705 340 C CB -1.612 26.129 27.740 0.002 0.000 1.879 340 C HN 0.617 nan 8.230 nan 0.000 0.607 341 S N 0.483 116.178 115.700 -0.009 0.000 3.586 341 S HA -0.176 4.294 4.470 0.000 0.000 0.309 341 S C -0.078 174.520 174.600 -0.003 0.000 1.195 341 S CA 0.598 58.794 58.200 -0.008 0.000 0.895 341 S CB -1.381 61.807 63.200 -0.020 0.000 0.983 341 S HN 0.739 nan 8.310 nan 0.000 0.563 342 I N 1.403 121.977 120.570 0.006 0.000 2.354 342 I HA 0.581 4.751 4.170 0.000 0.000 0.286 342 I C 0.286 176.422 176.117 0.033 0.000 1.007 342 I CA -0.414 60.899 61.300 0.022 0.000 1.167 342 I CB 1.529 39.547 38.000 0.029 0.000 1.320 342 I HN 0.296 nan 8.210 nan 0.000 0.458 343 A N 6.427 129.271 122.820 0.040 0.000 2.292 343 A HA 0.822 5.142 4.320 0.000 0.000 0.319 343 A C -0.182 177.426 177.584 0.041 0.000 1.206 343 A CA -0.350 51.710 52.037 0.039 0.000 0.835 343 A CB 0.861 19.885 19.000 0.041 0.000 1.164 343 A HN 0.992 nan 8.150 nan 0.000 0.505 344 C N 0.868 120.187 119.300 0.033 0.000 3.254 344 C HA 0.865 5.325 4.460 0.000 0.000 0.374 344 C C -1.324 173.678 174.990 0.019 0.000 1.710 344 C CA -0.595 58.439 59.018 0.028 0.000 1.149 344 C CB 1.273 29.027 27.740 0.022 0.000 2.019 344 C HN 1.090 nan 8.230 nan 0.000 0.427 345 N N -0.042 118.664 118.700 0.010 0.000 2.591 345 N HA 0.364 5.105 4.740 0.000 0.000 0.263 345 N C -1.782 173.722 175.510 -0.010 0.000 1.308 345 N CA -0.596 52.455 53.050 0.002 0.000 0.837 345 N CB 1.739 40.229 38.487 0.005 0.000 1.548 345 N HN 1.016 nan 8.380 nan 0.000 0.493 346 K N 0.376 120.767 120.400 -0.016 0.000 2.258 346 K HA 0.370 4.690 4.320 0.000 0.000 0.264 346 K C -0.882 175.698 176.600 -0.033 0.000 1.007 346 K CA -0.287 55.984 56.287 -0.026 0.000 0.941 346 K CB 0.615 33.096 32.500 -0.031 0.000 0.966 346 K HN 0.654 nan 8.250 nan 0.000 0.480 347 N N -0.144 118.534 118.700 -0.036 0.000 2.484 347 N HA 0.166 4.906 4.740 0.000 0.000 0.269 347 N C -1.735 173.752 175.510 -0.040 0.000 1.237 347 N CA -0.650 52.374 53.050 -0.043 0.000 0.838 347 N CB 1.960 40.419 38.487 -0.047 0.000 1.593 347 N HN 0.782 nan 8.380 nan 0.000 0.485 348 T N -0.801 113.728 114.554 -0.042 0.000 2.898 348 T HA 0.405 4.755 4.350 0.000 0.000 0.301 348 T C 0.067 174.750 174.700 -0.029 0.000 1.049 348 T CA -0.382 61.698 62.100 -0.034 0.000 1.095 348 T CB 0.197 69.046 68.868 -0.032 0.000 0.976 348 T HN 0.386 nan 8.240 nan 0.000 0.539 349 C N 3.733 123.019 119.300 -0.023 0.000 2.397 349 C HA 0.450 4.910 4.460 0.000 0.000 0.343 349 C C -0.708 174.274 174.990 -0.013 0.000 1.188 349 C CA -1.241 57.765 59.018 -0.020 0.000 1.992 349 C CB 1.201 28.932 27.740 -0.016 0.000 2.358 349 C HN 0.720 nan 8.230 nan 0.000 0.518 350 P HA -0.190 nan 4.420 nan 0.000 0.221 350 P C 1.434 178.735 177.300 0.002 0.000 1.160 350 P CA 2.472 65.573 63.100 0.002 0.000 0.933 350 P CB -0.005 31.701 31.700 0.010 0.000 0.793 351 G N -1.693 107.108 108.800 0.001 0.000 2.534 351 G HA2 -0.118 3.843 3.960 0.000 0.000 0.217 351 G HA3 -0.118 3.843 3.960 0.000 0.000 0.217 351 G C 0.536 175.434 174.900 -0.003 0.000 1.128 351 G CA 0.132 45.233 45.100 0.001 0.000 0.784 351 G HN 0.226 nan 8.290 nan 0.000 0.542 355 S N -0.675 115.021 115.700 -0.007 0.000 2.936 355 S HA 0.631 5.101 4.470 0.000 0.000 0.287 355 S C 0.459 175.053 174.600 -0.011 0.000 0.408 355 S CA 0.323 58.518 58.200 -0.008 0.000 0.561 355 S CB -1.111 62.081 63.200 -0.013 0.000 0.780 355 S HN 2.087 nan 8.310 nan 0.000 0.686 356 A N 1.808 124.625 122.820 -0.005 0.000 2.259 356 A HA 0.547 4.867 4.320 0.000 0.000 0.208 356 A C 1.655 179.229 177.584 -0.016 0.000 1.201 356 A CA 1.128 53.158 52.037 -0.012 0.000 0.824 356 A CB -0.240 18.759 19.000 -0.002 0.000 0.838 356 A HN 1.408 nan 8.150 nan 0.000 0.485 357 L N -1.232 119.982 121.223 -0.015 0.000 2.202 357 L HA 0.248 4.589 4.340 0.000 0.000 0.205 357 L C 1.523 178.375 176.870 -0.030 0.000 1.083 357 L CA 0.939 55.769 54.840 -0.018 0.000 0.790 357 L CB 0.186 42.238 42.059 -0.012 0.000 0.942 357 L HN 0.353 nan 8.230 nan 0.000 0.452 358 R N 0.936 121.416 120.500 -0.033 0.000 2.724 358 R HA 0.278 4.618 4.340 0.000 0.000 0.284 358 R C -2.539 173.735 176.300 -0.044 0.000 1.481 358 R CA -1.834 54.237 56.100 -0.047 0.000 1.652 358 R CB 0.554 30.825 30.300 -0.048 0.000 1.175 358 R HN -0.021 nan 8.270 nan 0.000 0.613 359 P HA 0.058 nan 4.420 nan 0.000 0.271 359 P C -0.318 176.958 177.300 -0.040 0.000 1.216 359 P CA 0.086 63.163 63.100 -0.039 0.000 0.771 359 P CB 1.789 33.465 31.700 -0.041 0.000 0.864 360 S N 1.178 116.860 115.700 -0.030 0.000 2.575 360 S HA 0.192 4.662 4.470 0.000 0.000 0.215 360 S C 1.135 175.727 174.600 -0.013 0.000 0.966 360 S CA 0.086 58.272 58.200 -0.023 0.000 0.911 360 S CB 0.149 63.339 63.200 -0.017 0.000 0.780 360 S HN 0.737 nan 8.310 nan 0.000 0.514 361 G N 0.470 109.259 108.800 -0.019 0.000 2.601 361 G HA2 0.738 4.698 3.960 0.000 0.000 0.317 361 G HA3 0.738 4.698 3.960 0.000 0.000 0.317 361 G C -1.338 173.552 174.900 -0.017 0.000 1.246 361 G CA -0.614 44.478 45.100 -0.014 0.000 1.012 361 G HN 0.260 nan 8.290 nan 0.000 0.494 362 L N 0.134 121.346 121.223 -0.018 0.000 2.438 362 L HA 0.477 4.817 4.340 0.000 0.000 0.270 362 L C -0.327 176.522 176.870 -0.035 0.000 0.972 362 L CA -0.808 54.019 54.840 -0.022 0.000 0.831 362 L CB 2.544 44.591 42.059 -0.020 0.000 1.273 362 L HN 0.603 nan 8.230 nan 0.000 0.405 363 R N 4.429 124.908 120.500 -0.034 0.000 2.207 363 R HA 0.671 5.011 4.340 0.000 0.000 0.334 363 R C -1.656 174.623 176.300 -0.035 0.000 1.013 363 R CA -0.356 55.715 56.100 -0.048 0.000 0.858 363 R CB 0.743 31.014 30.300 -0.050 0.000 1.094 363 R HN 0.566 nan 8.270 nan 0.000 0.457 364 L N 3.964 125.158 121.223 -0.048 0.000 2.341 364 L HA 0.671 5.011 4.340 0.000 0.000 0.278 364 L C 0.175 177.019 176.870 -0.044 0.000 1.005 364 L CA -0.930 53.897 54.840 -0.021 0.000 0.818 364 L CB 2.261 44.312 42.059 -0.013 0.000 1.259 364 L HN 0.859 nan 8.230 nan 0.000 0.418 365 G N -0.575 108.229 108.800 0.006 0.000 2.571 365 G HA2 0.461 4.421 3.960 0.000 0.000 0.304 365 G HA3 0.461 4.421 3.960 0.000 0.000 0.304 365 G C 0.326 175.286 174.900 0.101 0.000 1.314 365 G CA -0.035 45.064 45.100 -0.002 0.000 0.975 365 G HN 0.598 nan 8.290 nan 0.000 0.485 366 T N -1.395 113.207 114.554 0.081 0.000 3.044 366 T HA 0.212 4.563 4.350 0.000 0.000 0.250 366 T C -0.630 174.187 174.700 0.195 0.000 1.081 366 T CA 0.115 62.292 62.100 0.128 0.000 1.040 366 T CB 0.024 68.761 68.868 -0.219 0.000 0.962 366 T HN 0.234 nan 8.240 nan 0.000 0.506 367 P HA -0.086 nan 4.420 nan 0.000 0.215 367 P C 1.875 179.348 177.300 0.288 0.000 1.163 367 P CA 1.925 65.150 63.100 0.208 0.000 0.894 367 P CB -0.362 31.450 31.700 0.187 0.000 0.791 368 A N -0.973 121.964 122.820 0.195 0.000 1.902 368 A HA -0.164 4.156 4.320 0.000 0.000 0.217 368 A C 2.271 180.054 177.584 0.331 0.000 1.181 368 A CA 1.497 53.629 52.037 0.159 0.000 0.623 368 A CB -1.631 17.340 19.000 -0.048 0.000 0.818 368 A HN 0.123 nan 8.150 nan 0.000 0.443 369 L N -0.914 120.477 121.223 0.280 0.000 2.156 369 L HA -0.093 4.247 4.340 0.000 0.000 0.208 369 L C 2.516 179.508 176.870 0.203 0.000 1.095 369 L CA 1.484 56.432 54.840 0.181 0.000 0.770 369 L CB -0.507 41.586 42.059 0.057 0.000 0.914 369 L HN 0.341 nan 8.230 nan 0.000 0.439 370 T N -1.392 113.374 114.554 0.354 0.000 2.951 370 T HA -0.105 4.245 4.350 0.000 0.000 0.268 370 T C 1.997 176.905 174.700 0.346 0.000 1.073 370 T CA 1.145 63.458 62.100 0.355 0.000 1.134 370 T CB 0.057 69.109 68.868 0.307 0.000 0.884 370 T HN 0.200 nan 8.240 nan 0.000 0.479 371 S N 0.885 116.771 115.700 0.311 0.000 2.489 371 S HA 0.072 4.542 4.470 0.000 0.000 0.228 371 S C 1.730 176.370 174.600 0.066 0.000 0.995 371 S CA 0.391 58.639 58.200 0.079 0.000 0.934 371 S CB 0.004 63.251 63.200 0.078 0.000 0.771 371 S HN 0.461 nan 8.310 nan 0.000 0.522 372 R N 0.173 120.721 120.500 0.080 0.000 2.359 372 R HA 0.281 4.621 4.340 0.000 0.000 0.231 372 R C 1.506 177.817 176.300 0.017 0.000 0.913 372 R CA 0.528 56.629 56.100 0.001 0.000 1.075 372 R CB 0.335 30.600 30.300 -0.058 0.000 1.087 372 R HN 0.405 nan 8.270 nan 0.000 0.515 373 G N 0.742 109.562 108.800 0.035 0.000 2.349 373 G HA2 -0.238 3.722 3.960 0.000 0.000 0.213 373 G HA3 -0.238 3.722 3.960 0.000 0.000 0.213 373 G C 0.329 175.234 174.900 0.007 0.000 1.044 373 G CA -0.533 44.610 45.100 0.072 0.000 0.633 373 G HN 0.071 nan 8.290 nan 0.000 0.506 374 L N 0.548 121.593 121.223 -0.297 0.000 2.557 374 L HA 0.211 4.551 4.340 0.000 0.000 0.308 374 L C 2.474 179.432 176.870 0.146 0.000 1.283 374 L CA 2.438 57.104 54.840 -0.290 0.000 0.847 374 L CB -0.897 40.850 42.059 -0.521 0.000 1.088 374 L HN 1.298 nan 8.230 nan 0.000 0.537 375 K N 1.393 121.893 120.400 0.167 0.000 3.708 375 K HA -0.324 3.996 4.320 0.000 0.000 0.235 375 K C 1.252 177.966 176.600 0.190 0.000 0.864 375 K CA 2.486 58.861 56.287 0.148 0.000 0.853 375 K CB -2.014 30.560 32.500 0.123 0.000 1.822 375 K HN 0.880 nan 8.250 nan 0.000 0.547 376 D N -1.518 119.035 120.400 0.256 0.000 2.183 376 D HA 0.031 4.671 4.640 0.000 0.000 0.203 376 D C 1.752 178.169 176.300 0.195 0.000 0.969 376 D CA 1.170 55.361 54.000 0.318 0.000 0.842 376 D CB -0.210 40.723 40.800 0.222 0.000 0.957 376 D HN 0.641 nan 8.370 nan 0.000 0.484 377 F N 1.585 121.612 119.950 0.128 0.000 2.502 377 F HA -0.009 4.518 4.527 0.000 0.000 0.298 377 F C 1.657 177.492 175.800 0.057 0.000 1.111 377 F CA 0.518 58.574 58.000 0.093 0.000 1.445 377 F CB 0.078 39.107 39.000 0.048 0.000 1.081 377 F HN -0.186 nan 8.300 nan 0.000 0.558 383 A N 0.064 122.936 122.820 0.087 0.000 1.948 383 A HA -0.333 3.987 4.320 0.000 0.000 0.220 383 A C 1.786 179.387 177.584 0.028 0.000 1.177 383 A CA 2.979 55.047 52.037 0.051 0.000 0.636 383 A CB -0.762 18.267 19.000 0.048 0.000 0.815 383 A HN 0.834 nan 8.150 nan 0.000 0.449 384 H N -1.907 117.094 119.070 -0.114 0.000 2.357 384 H HA -0.047 4.509 4.556 0.000 0.000 0.301 384 H C 1.593 176.850 175.328 -0.119 0.000 1.082 384 H CA 1.966 57.925 56.048 -0.149 0.000 1.342 384 H CB -0.208 29.353 29.762 -0.334 0.000 1.389 384 H HN 0.462 nan 8.280 nan 0.000 0.511 385 F N 0.058 120.032 119.950 0.039 0.000 2.146 385 F HA -0.108 4.419 4.527 0.000 0.000 0.298 385 F C 2.390 178.175 175.800 -0.026 0.000 1.096 385 F CA 1.020 59.017 58.000 -0.005 0.000 1.275 385 F CB -0.678 38.325 39.000 0.004 0.000 1.008 385 F HN 0.175 nan 8.300 nan 0.000 0.480 386 I N -0.782 119.887 120.570 0.166 0.000 2.163 386 I HA -0.368 3.802 4.170 0.000 0.000 0.243 386 I C 2.543 178.681 176.117 0.035 0.000 1.085 386 I CA 1.859 63.200 61.300 0.068 0.000 1.347 386 I CB -0.671 37.328 38.000 -0.001 0.000 1.044 386 I HN 0.145 nan 8.210 nan 0.000 0.408 387 H N 1.733 120.749 119.070 -0.089 0.000 2.289 387 H HA -0.167 4.389 4.556 0.000 0.000 0.296 387 H C 2.382 177.698 175.328 -0.020 0.000 1.091 387 H CA 1.846 57.871 56.048 -0.037 0.000 1.274 387 H CB -0.078 29.629 29.762 -0.092 0.000 1.364 387 H HN 0.054 nan 8.280 nan 0.000 0.490 388 R N -0.376 119.985 120.500 -0.232 0.000 2.113 388 R HA -0.135 4.205 4.340 0.000 0.000 0.244 388 R C 2.634 178.870 176.300 -0.105 0.000 1.142 388 R CA 1.274 57.254 56.100 -0.201 0.000 0.953 388 R CB -1.324 28.942 30.300 -0.057 0.000 0.860 388 R HN 0.562 nan 8.270 nan 0.000 0.438 389 G N 1.451 110.238 108.800 -0.022 0.000 2.442 389 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 389 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 389 G C 1.432 176.340 174.900 0.014 0.000 1.141 389 G CA 0.415 45.523 45.100 0.012 0.000 0.763 389 G HN 0.126 nan 8.290 nan 0.000 0.554 390 I N 1.159 121.738 120.570 0.015 0.000 2.353 390 I HA -0.035 4.135 4.170 0.000 0.000 0.248 390 I C 2.029 178.153 176.117 0.011 0.000 1.119 390 I CA 0.492 61.832 61.300 0.067 0.000 1.417 390 I CB -1.129 37.003 38.000 0.219 0.000 1.078 390 I HN 0.262 nan 8.210 nan 0.000 0.421 391 E N 1.368 121.510 120.200 -0.097 0.000 2.445 391 E HA -0.156 4.195 4.350 0.000 0.000 0.204 391 E C 1.554 178.132 176.600 -0.037 0.000 1.194 391 E CA 0.865 57.200 56.400 -0.109 0.000 0.950 391 E CB -0.403 29.164 29.700 -0.222 0.000 0.976 391 E HN 0.618 nan 8.360 nan 0.000 0.519 392 T N -2.711 111.876 114.554 0.055 0.000 9.246 392 T HA -0.370 3.980 4.350 0.000 0.000 0.393 392 T C 1.671 176.470 174.700 0.164 0.000 1.387 392 T CA 2.254 64.454 62.100 0.165 0.000 2.411 392 T CB -1.451 67.537 68.868 0.200 0.000 2.911 392 T HN 0.185 nan 8.240 nan 0.000 1.206 393 V N 1.848 121.811 119.914 0.082 0.000 2.358 393 V HA -0.030 4.090 4.120 0.000 0.000 0.246 393 V C 1.853 177.983 176.094 0.059 0.000 1.047 393 V CA 1.909 64.248 62.300 0.065 0.000 1.035 393 V CB -0.774 31.067 31.823 0.031 0.000 0.658 393 V HN 0.705 nan 8.190 nan 0.000 0.452 394 Q N 0.584 120.407 119.800 0.038 0.000 2.264 394 Q HA 0.039 4.379 4.340 0.000 0.000 0.296 394 Q C 0.591 176.616 176.000 0.040 0.000 1.103 394 Q CA 1.133 56.971 55.803 0.057 0.000 0.967 394 Q CB -0.018 28.769 28.738 0.081 0.000 1.090 394 Q HN 0.554 nan 8.270 nan 0.000 0.379 395 D N 0.024 120.479 120.400 0.093 0.000 2.844 395 D HA -0.127 4.514 4.640 0.000 0.000 0.194 395 D C -0.264 176.095 176.300 0.099 0.000 0.922 395 D CA 1.295 55.361 54.000 0.110 0.000 0.981 395 D CB -0.713 40.210 40.800 0.205 0.000 1.033 395 D HN 0.549 nan 8.370 nan 0.000 0.461 396 T N -1.134 113.473 114.554 0.088 0.000 2.121 396 T HA 0.905 5.255 4.350 0.000 0.000 0.197 396 T C -1.179 173.564 174.700 0.071 0.000 0.822 396 T CA 0.843 62.995 62.100 0.087 0.000 1.195 396 T CB 0.876 69.826 68.868 0.136 0.000 3.009 396 T HN 1.063 nan 8.240 nan 0.000 0.449 397 A N 0.768 123.605 122.820 0.028 0.000 1.004 397 A HA 0.422 4.742 4.320 0.000 0.000 0.202 397 A C -0.058 177.548 177.584 0.036 0.000 0.826 397 A CA -0.549 51.513 52.037 0.042 0.000 0.508 397 A CB -0.972 18.072 19.000 0.072 0.000 0.551 397 A HN 0.554 nan 8.150 nan 0.000 0.325 398 T N 1.325 115.902 114.554 0.037 0.000 2.663 398 T HA 0.328 4.678 4.350 0.000 0.000 0.325 398 T C 0.562 175.294 174.700 0.052 0.000 1.059 398 T CA 0.715 62.834 62.100 0.031 0.000 1.039 398 T CB -0.026 68.861 68.868 0.032 0.000 0.996 398 T HN 1.480 nan 8.240 nan 0.000 0.539 399 L N 1.613 122.861 121.223 0.042 0.000 2.290 399 L HA 0.394 4.734 4.340 0.000 0.000 0.284 399 L C 0.710 177.652 176.870 0.121 0.000 1.078 399 L CA 0.757 55.639 54.840 0.069 0.000 0.815 399 L CB -0.079 41.990 42.059 0.016 0.000 1.162 399 L HN 0.962 nan 8.230 nan 0.000 0.435 400 E N 1.226 121.414 120.200 -0.020 0.000 3.458 400 E HA -0.219 4.131 4.350 0.000 0.000 0.130 400 E C 1.430 178.001 176.600 -0.049 0.000 0.641 400 E CA 0.801 57.188 56.400 -0.022 0.000 3.025 400 E CB -0.827 28.875 29.700 0.002 0.000 1.223 400 E HN 0.538 nan 8.360 nan 0.000 0.766 401 K N 0.960 121.314 120.400 -0.076 0.000 2.147 401 K HA 0.036 4.356 4.320 0.000 0.000 0.205 401 K C 1.825 178.362 176.600 -0.105 0.000 1.049 401 K CA 1.637 57.883 56.287 -0.069 0.000 0.936 401 K CB -0.564 31.890 32.500 -0.076 0.000 0.722 401 K HN 0.140 nan 8.250 nan 0.000 0.446 402 L N -0.361 120.710 121.223 -0.252 0.000 2.291 402 L HA 0.224 4.564 4.340 0.000 0.000 0.214 402 L C 2.478 179.283 176.870 -0.108 0.000 1.120 402 L CA 1.742 56.422 54.840 -0.265 0.000 0.799 402 L CB -0.189 41.622 42.059 -0.413 0.000 0.925 402 L HN 0.360 nan 8.230 nan 0.000 0.446 403 A N -1.012 121.763 122.820 -0.075 0.000 1.924 403 A HA 0.287 4.607 4.320 0.000 0.000 0.211 403 A C 1.989 179.562 177.584 -0.018 0.000 1.198 403 A CA 0.555 52.570 52.037 -0.036 0.000 0.657 403 A CB -0.962 18.021 19.000 -0.028 0.000 0.852 403 A HN 0.390 nan 8.150 nan 0.000 0.454 404 G N -1.367 107.424 108.800 -0.014 0.000 3.379 404 G HA2 0.395 4.355 3.960 0.000 0.000 0.253 404 G HA3 0.395 4.355 3.960 0.000 0.000 0.253 404 G C 1.093 175.992 174.900 -0.002 0.000 1.262 404 G CA 1.359 46.455 45.100 -0.006 0.000 0.959 404 G HN 1.106 nan 8.290 nan 0.000 0.524 405 K N 0.029 120.346 120.400 -0.138 0.000 9.558 405 K HA -0.377 3.943 4.320 0.000 0.000 0.506 405 K C 1.492 177.992 176.600 -0.167 0.000 0.377 405 K CA 2.082 58.245 56.287 -0.206 0.000 1.944 405 K CB -2.309 29.966 32.500 -0.375 0.000 0.745 405 K HN 0.559 nan 8.250 nan 0.000 1.070 406 H N 1.787 120.834 119.070 -0.038 0.000 2.996 406 H HA 0.284 4.840 4.556 0.000 0.000 0.285 406 H C 2.393 177.696 175.328 -0.041 0.000 1.092 406 H CA 1.830 57.849 56.048 -0.047 0.000 1.221 406 H CB -1.122 28.593 29.762 -0.077 0.000 1.277 406 H HN 1.126 nan 8.280 nan 0.000 0.668 407 R N 0.023 120.533 120.500 0.016 0.000 1.468 407 R HA -0.392 3.948 4.340 0.000 0.000 0.055 407 R C 2.381 178.694 176.300 0.022 0.000 0.949 407 R CA 3.177 59.283 56.100 0.011 0.000 0.978 407 R CB -2.186 28.113 30.300 -0.001 0.000 0.540 407 R HN 0.545 nan 8.270 nan 0.000 0.404 408 A N -0.335 122.506 122.820 0.034 0.000 1.865 408 A HA 0.113 4.433 4.320 0.000 0.000 0.217 408 A C 2.679 180.284 177.584 0.035 0.000 1.191 408 A CA 2.883 54.944 52.037 0.040 0.000 0.623 408 A CB -0.640 18.394 19.000 0.057 0.000 0.826 408 A HN 1.252 nan 8.150 nan 0.000 0.444 409 V N -0.053 119.880 119.914 0.032 0.000 2.231 409 V HA -0.340 3.780 4.120 0.000 0.000 0.248 409 V C 3.323 179.426 176.094 0.014 0.000 1.054 409 V CA 3.117 65.428 62.300 0.018 0.000 1.015 409 V CB -1.543 30.285 31.823 0.007 0.000 0.638 409 V HN 0.770 nan 8.190 nan 0.000 0.444 410 R N 0.089 120.597 120.500 0.013 0.000 2.091 410 R HA -0.050 4.291 4.340 0.000 0.000 0.238 410 R C 2.113 178.420 176.300 0.013 0.000 1.136 410 R CA 1.884 57.989 56.100 0.009 0.000 0.959 410 R CB -1.721 28.584 30.300 0.008 0.000 0.856 410 R HN 0.711 nan 8.270 nan 0.000 0.437 411 A N 0.803 123.636 122.820 0.021 0.000 2.253 411 A HA 0.068 4.388 4.320 0.000 0.000 0.203 411 A C 1.765 179.370 177.584 0.037 0.000 1.272 411 A CA 1.022 53.077 52.037 0.029 0.000 0.847 411 A CB -0.933 18.088 19.000 0.035 0.000 0.772 411 A HN 0.709 nan 8.150 nan 0.000 0.494 412 R N -2.528 117.964 120.500 -0.012 0.000 2.578 412 R HA -0.477 3.863 4.340 0.000 0.000 0.087 412 R C 2.011 178.288 176.300 -0.040 0.000 0.581 412 R CA 3.746 59.824 56.100 -0.037 0.000 0.235 412 R CB -1.520 28.768 30.300 -0.019 0.000 0.580 412 R HN 0.757 nan 8.270 nan 0.000 0.234 413 Q N 0.277 120.070 119.800 -0.012 0.000 2.268 413 Q HA -0.240 4.100 4.340 0.000 0.000 0.210 413 Q C 1.861 177.859 176.000 -0.003 0.000 0.988 413 Q CA 2.245 58.046 55.803 -0.004 0.000 0.883 413 Q CB -0.650 28.093 28.738 0.009 0.000 0.911 413 Q HN 0.837 nan 8.270 nan 0.000 0.430 414 E N -0.866 119.329 120.200 -0.007 0.000 2.230 414 E HA 0.039 4.389 4.350 0.000 0.000 0.192 414 E C 0.137 176.654 176.600 -0.140 0.000 0.987 414 E CA 0.352 56.757 56.400 0.008 0.000 0.841 414 E CB 0.419 30.183 29.700 0.107 0.000 0.783 414 E HN 0.448 nan 8.360 nan 0.000 0.481 415 V N 3.198 122.938 119.914 -0.291 0.000 2.157 415 V HA -0.038 4.082 4.120 0.000 0.000 0.241 415 V C 0.215 176.236 176.094 -0.122 0.000 1.349 415 V CA 0.820 62.852 62.300 -0.447 0.000 1.319 415 V CB -1.066 30.510 31.823 -0.412 0.000 1.421 415 V HN 0.439 nan 8.190 nan 0.000 0.501 416 F N 2.902 122.844 119.950 -0.013 0.000 2.547 416 F HA -0.444 4.083 4.527 0.000 0.000 0.660 416 F C 1.754 177.617 175.800 0.104 0.000 0.492 416 F CA 2.028 60.065 58.000 0.062 0.000 0.849 416 F CB -1.545 37.523 39.000 0.113 0.000 1.694 416 F HN 0.366 nan 8.300 nan 0.000 0.262 417 A N 1.371 124.174 122.820 -0.027 0.000 1.877 417 A HA 0.372 4.692 4.320 0.000 0.000 0.216 417 A C 1.825 179.371 177.584 -0.063 0.000 1.186 417 A CA 2.079 54.074 52.037 -0.069 0.000 0.620 417 A CB -1.489 17.497 19.000 -0.024 0.000 0.822 417 A HN 1.553 nan 8.150 nan 0.000 0.443 892 Q N -0.349 119.493 119.800 0.069 0.000 2.280 892 Q HA 0.546 4.886 4.340 0.000 0.000 0.201 892 Q C 0.856 176.882 176.000 0.042 0.000 0.890 892 Q CA 0.759 56.593 55.803 0.051 0.000 0.947 892 Q CB -0.138 28.626 28.738 0.043 0.000 1.081 892 Q HN 0.523 nan 8.270 nan 0.000 0.502 1342 K N 1.818 122.166 120.400 -0.087 0.000 2.328 1342 K HA 0.751 5.071 4.320 0.000 0.000 0.246 1342 K C -0.249 176.272 176.600 -0.133 0.000 0.955 1342 K CA -0.220 56.013 56.287 -0.090 0.000 0.817 1342 K CB 1.358 33.823 32.500 -0.059 0.000 1.208 1342 K HN 0.439 nan 8.250 nan 0.000 0.432 2442 R N 0.203 120.554 120.500 -0.249 0.000 2.561 2442 R HA 0.486 4.826 4.340 0.000 0.000 0.213 2442 R C 0.593 176.789 176.300 -0.174 0.000 0.885 2442 R CA 1.034 56.915 56.100 -0.365 0.000 1.002 2442 R CB 0.975 30.823 30.300 -0.752 0.000 1.432 2442 R HN 1.030 nan 8.270 nan 0.000 0.651 2443 S N -1.620 114.004 115.700 -0.127 0.000 2.930 2443 S HA 0.218 4.688 4.470 0.000 0.000 0.306 2443 S C -0.692 173.875 174.600 -0.054 0.000 1.238 2443 S CA -0.706 57.447 58.200 -0.078 0.000 1.000 2443 S CB 0.841 63.991 63.200 -0.082 0.000 1.342 2443 S HN -0.117 nan 8.310 nan 0.000 0.575 2444 V N 2.254 122.141 119.914 -0.044 0.000 3.032 2444 V HA 0.262 4.382 4.120 0.000 0.000 0.307 2444 V C 0.143 176.219 176.094 -0.031 0.000 1.097 2444 V CA 1.573 63.853 62.300 -0.032 0.000 1.191 2444 V CB -0.408 31.398 31.823 -0.027 0.000 0.964 2444 V HN 1.026 nan 8.190 nan 0.000 0.494 3942 Q N 1.559 121.460 119.800 0.168 0.000 2.354 3942 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 3942 Q C 0.410 176.474 176.000 0.106 0.000 0.933 3942 Q CA 0.739 56.656 55.803 0.190 0.000 0.901 3942 Q CB 0.624 29.441 28.738 0.131 0.000 1.007 3942 Q HN 0.355 nan 8.270 nan 0.000 0.495 3962 P HA 0.559 nan 4.420 nan 0.000 0.235 3962 P C 0.846 178.155 177.300 0.014 0.000 1.177 3962 P CA 2.613 65.725 63.100 0.019 0.000 0.785 3962 P CB -0.028 31.680 31.700 0.014 0.000 0.885 3992 E N -0.002 120.250 120.200 0.086 0.000 2.005 3992 E HA 0.039 4.389 4.350 0.000 0.000 0.191 3992 E C 1.858 178.521 176.600 0.105 0.000 0.987 3992 E CA 0.928 57.376 56.400 0.080 0.000 0.814 3992 E CB -0.344 29.404 29.700 0.081 0.000 0.772 3992 E HN 0.419 nan 8.360 nan 0.000 0.453 3993 F N 2.714 122.660 119.950 -0.007 0.000 2.063 3993 F HA -0.320 4.207 4.527 0.000 0.000 0.297 3993 F C 1.520 177.307 175.800 -0.022 0.000 1.099 3993 F CA 2.413 60.401 58.000 -0.020 0.000 1.220 3993 F CB -0.637 38.348 39.000 -0.024 0.000 0.972 3993 F HN -0.070 nan 8.300 nan 0.000 0.487 4181 L N -0.532 120.536 121.223 -0.259 0.000 2.085 4181 L HA -0.156 4.184 4.340 0.000 0.000 0.218 4181 L C 1.360 177.912 176.870 -0.529 0.000 1.080 4181 L CA 2.135 56.699 54.840 -0.460 0.000 0.776 4181 L CB -1.677 39.953 42.059 -0.715 0.000 0.891 4181 L HN 0.004 nan 8.230 nan 0.000 0.437 4182 F N 0.190 120.012 119.950 -0.215 0.000 2.375 4182 F HA 0.581 5.108 4.527 0.000 0.000 0.313 4182 F C -1.269 174.439 175.800 -0.154 0.000 1.176 4182 F CA -2.491 55.405 58.000 -0.174 0.000 1.142 4182 F CB -0.134 38.747 39.000 -0.199 0.000 1.275 4182 F HN 0.045 nan 8.300 nan 0.000 0.544 4183 P HA 0.334 nan 4.420 nan 0.000 0.281 4183 P C -1.514 175.707 177.300 -0.131 0.000 1.264 4183 P CA -0.431 62.642 63.100 -0.045 0.000 0.824 4183 P CB 1.953 33.629 31.700 -0.039 0.000 1.092 4184 L N 2.792 123.905 121.223 -0.183 0.000 2.345 4184 L HA 0.504 4.844 4.340 0.000 0.000 0.274 4184 L C -2.545 174.183 176.870 -0.236 0.000 0.999 4184 L CA -2.258 52.383 54.840 -0.331 0.000 0.849 4184 L CB 0.619 42.499 42.059 -0.298 0.000 1.220 4184 L HN 0.189 nan 8.230 nan 0.000 0.422 4185 P HA 0.654 nan 4.420 nan 0.000 0.269 4185 P C -0.239 177.042 177.300 -0.032 0.000 1.215 4185 P CA -0.107 62.939 63.100 -0.090 0.000 0.780 4185 P CB 0.904 32.588 31.700 -0.026 0.000 0.898 4186 G N -0.187 108.614 108.800 0.003 0.000 2.361 4186 G HA2 0.109 4.070 3.960 0.000 0.000 0.305 4186 G HA3 0.109 4.070 3.960 0.000 0.000 0.305 4186 G C -1.016 173.880 174.900 -0.006 0.000 1.367 4186 G CA -0.986 44.143 45.100 0.048 0.000 0.951 4186 G HN 0.493 nan 8.290 nan 0.000 0.615 4187 L N 0.363 121.582 121.223 -0.007 0.000 2.420 4187 L HA 0.240 4.580 4.340 0.000 0.000 0.198 4187 L C -1.306 175.373 176.870 -0.320 0.000 1.165 4187 L CA -1.052 53.696 54.840 -0.155 0.000 0.863 4187 L CB 0.013 41.969 42.059 -0.172 0.000 1.371 4187 L HN 0.283 nan 8.230 nan 0.000 0.536 4188 P HA -0.010 nan 4.420 nan 0.000 0.243 4188 P C 0.019 177.039 177.300 -0.468 0.000 1.134 4188 P CA 1.102 63.959 63.100 -0.406 0.000 1.109 4188 P CB -0.528 30.940 31.700 -0.387 0.000 1.140 4189 G N 0.000 108.654 108.800 -0.243 0.000 5.446 4189 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 4189 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4189 G CA 0.000 45.027 45.100 -0.121 0.000 0.502 4189 G HN 0.000 nan 8.290 nan 0.000 0.925