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 1pox_1_B DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIS AEDWYASANN YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLV DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG FIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.741 174.700 0.068 0.000 1.109 9 T CA 0.000 62.130 62.100 0.051 0.000 1.349 9 T CB 0.000 68.889 68.868 0.035 0.000 0.612 10 N N 0.554 119.293 118.700 0.066 0.000 2.404 10 N HA 0.746 5.486 4.740 -0.001 0.000 0.297 10 N C -1.472 174.087 175.510 0.082 0.000 1.163 10 N CA -0.550 52.544 53.050 0.074 0.000 0.864 10 N CB 2.436 40.954 38.487 0.052 0.000 1.247 10 N HN 0.437 nan 8.380 nan 0.000 0.510 11 I N 1.338 121.957 120.570 0.083 0.000 2.802 11 I HA 0.346 4.515 4.170 -0.001 0.000 0.298 11 I C -1.216 174.908 176.117 0.012 0.000 1.176 11 I CA -0.752 60.581 61.300 0.055 0.000 1.025 11 I CB 1.802 39.860 38.000 0.096 0.000 1.243 11 I HN 0.382 nan 8.210 nan 0.000 0.424 12 L N 6.052 127.271 121.223 -0.008 0.000 2.426 12 L HA 0.271 4.611 4.340 -0.001 0.000 0.271 12 L C 1.557 178.377 176.870 -0.085 0.000 1.169 12 L CA 0.110 54.943 54.840 -0.012 0.000 0.836 12 L CB 1.314 43.387 42.059 0.023 0.000 1.112 12 L HN 0.870 nan 8.230 nan 0.000 0.465 13 A N 3.125 125.896 122.820 -0.082 0.000 1.940 13 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 13 A C 2.098 179.561 177.584 -0.203 0.000 1.176 13 A CA 1.934 53.886 52.037 -0.142 0.000 0.631 13 A CB -0.957 17.988 19.000 -0.093 0.000 0.814 13 A HN 0.999 nan 8.150 nan 0.000 0.446 14 G N -0.857 107.828 108.800 -0.191 0.000 2.422 14 G HA2 0.063 4.022 3.960 -0.001 0.000 0.218 14 G HA3 0.063 4.022 3.960 -0.001 0.000 0.218 14 G C 1.654 176.415 174.900 -0.231 0.000 1.140 14 G CA 1.260 46.218 45.100 -0.236 0.000 0.775 14 G HN 0.783 nan 8.290 nan 0.000 0.545 15 A N 1.079 123.779 122.820 -0.199 0.000 1.929 15 A HA 0.392 4.712 4.320 -0.001 0.000 0.216 15 A C 2.768 180.162 177.584 -0.317 0.000 1.176 15 A CA 1.906 53.826 52.037 -0.195 0.000 0.628 15 A CB -0.628 18.297 19.000 -0.125 0.000 0.816 15 A HN 0.665 nan 8.150 nan 0.000 0.444 16 A N -0.500 122.033 122.820 -0.478 0.000 1.930 16 A HA 0.028 4.348 4.320 -0.001 0.000 0.217 16 A C 2.190 179.346 177.584 -0.713 0.000 1.175 16 A CA 1.633 53.098 52.037 -0.954 0.000 0.627 16 A CB -0.841 17.409 19.000 -1.249 0.000 0.815 16 A HN 0.340 nan 8.150 nan 0.000 0.443 17 V N 0.601 120.263 119.914 -0.420 0.000 2.332 17 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 17 V C 2.398 178.360 176.094 -0.219 0.000 1.055 17 V CA 1.870 64.004 62.300 -0.276 0.000 1.038 17 V CB -0.608 31.077 31.823 -0.230 0.000 0.651 17 V HN 0.530 nan 8.190 nan 0.000 0.450 18 I N -0.176 120.264 120.570 -0.218 0.000 2.315 18 I HA -0.167 4.003 4.170 -0.001 0.000 0.248 18 I C 2.340 178.387 176.117 -0.117 0.000 1.117 18 I CA 1.423 62.631 61.300 -0.153 0.000 1.404 18 I CB -1.287 36.624 38.000 -0.148 0.000 1.071 18 I HN 0.364 nan 8.210 nan 0.000 0.419 19 K N 0.396 120.696 120.400 -0.166 0.000 2.097 19 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 19 K C 2.180 178.800 176.600 0.033 0.000 1.049 19 K CA 0.948 57.194 56.287 -0.068 0.000 0.933 19 K CB -0.125 32.310 32.500 -0.108 0.000 0.717 19 K HN 0.141 nan 8.250 nan 0.000 0.442 20 V N 1.966 121.871 119.914 -0.015 0.000 2.343 20 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 20 V C 2.171 178.392 176.094 0.212 0.000 1.051 20 V CA 1.566 63.963 62.300 0.163 0.000 1.036 20 V CB -0.396 31.487 31.823 0.100 0.000 0.654 20 V HN 0.285 nan 8.190 nan 0.000 0.451 21 L N -0.468 120.804 121.223 0.082 0.000 2.093 21 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 21 L C 2.535 179.466 176.870 0.103 0.000 1.085 21 L CA 1.621 56.509 54.840 0.079 0.000 0.755 21 L CB -0.669 41.379 42.059 -0.019 0.000 0.904 21 L HN 0.383 nan 8.230 nan 0.000 0.435 22 E N 0.354 120.590 120.200 0.060 0.000 2.110 22 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 22 E C 2.326 178.965 176.600 0.066 0.000 0.988 22 E CA 1.086 57.514 56.400 0.045 0.000 0.804 22 E CB -0.150 29.565 29.700 0.024 0.000 0.745 22 E HN 0.491 nan 8.360 nan 0.000 0.458 23 A N 0.501 123.372 122.820 0.085 0.000 1.933 23 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 23 A C 1.432 178.977 177.584 -0.065 0.000 1.175 23 A CA 0.917 52.957 52.037 0.006 0.000 0.628 23 A CB -0.843 18.153 19.000 -0.007 0.000 0.814 23 A HN 0.370 nan 8.150 nan 0.000 0.444 24 W N -0.740 120.560 121.300 0.001 0.000 3.292 24 W HA 0.359 5.019 4.660 -0.001 0.000 0.263 24 W C 1.529 178.034 176.519 -0.023 0.000 1.318 24 W CA 0.770 58.105 57.345 -0.017 0.000 1.663 24 W CB 0.045 29.494 29.460 -0.018 0.000 1.114 24 W HN 0.573 nan 8.180 nan 0.000 0.706 25 G N 0.213 109.097 108.800 0.141 0.000 2.147 25 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.244 25 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.244 25 G C -0.044 174.890 174.900 0.056 0.000 1.005 25 G CA -0.071 45.078 45.100 0.081 0.000 0.713 25 G HN 0.017 nan 8.290 nan 0.000 0.515 26 V N 0.737 120.676 119.914 0.041 0.000 2.446 26 V HA 0.259 4.379 4.120 -0.001 0.000 0.276 26 V C 1.440 177.496 176.094 -0.064 0.000 1.030 26 V CA 1.197 63.471 62.300 -0.044 0.000 1.033 26 V CB 1.362 33.149 31.823 -0.060 0.000 0.993 26 V HN 0.517 nan 8.190 nan 0.000 0.477 27 D N 3.066 123.412 120.400 -0.089 0.000 2.240 27 D HA 0.001 4.641 4.640 -0.001 0.000 0.206 27 D C 0.657 177.002 176.300 0.076 0.000 0.963 27 D CA 0.654 54.673 54.000 0.031 0.000 0.863 27 D CB 0.363 41.259 40.800 0.159 0.000 0.973 27 D HN 0.806 nan 8.370 nan 0.000 0.501 28 H N -1.192 117.842 119.070 -0.060 0.000 3.016 28 H HA 0.508 5.064 4.556 -0.001 0.000 0.362 28 H C -0.867 174.282 175.328 -0.298 0.000 1.233 28 H CA -1.148 54.805 56.048 -0.158 0.000 1.124 28 H CB 0.737 30.379 29.762 -0.200 0.000 1.850 28 H HN 0.095 nan 8.280 nan 0.000 0.549 29 L N -0.776 120.247 121.223 -0.334 0.000 2.568 29 L HA 0.732 5.072 4.340 -0.001 0.000 0.257 29 L C -2.059 174.571 176.870 -0.400 0.000 1.024 29 L CA -1.176 53.467 54.840 -0.329 0.000 0.854 29 L CB 2.572 44.628 42.059 -0.005 0.000 1.460 29 L HN 0.510 nan 8.230 nan 0.000 0.409 30 Y N -0.255 120.046 120.300 0.002 0.000 2.499 30 Y HA 0.965 5.514 4.550 -0.001 0.000 0.347 30 Y C 0.544 176.156 175.900 -0.481 0.000 0.987 30 Y CA -0.156 57.849 58.100 -0.159 0.000 1.044 30 Y CB 2.514 40.882 38.460 -0.153 0.000 1.245 30 Y HN 1.047 nan 8.280 nan 0.000 0.461 31 G N 1.074 109.638 108.800 -0.394 0.000 2.320 31 G HA2 0.532 4.491 3.960 -0.001 0.000 0.296 31 G HA3 0.532 4.491 3.960 -0.001 0.000 0.296 31 G C -2.290 172.444 174.900 -0.277 0.000 1.306 31 G CA -0.876 43.642 45.100 -0.971 0.000 0.836 31 G HN 0.514 nan 8.290 nan 0.000 0.517 32 I N 2.024 122.517 120.570 -0.129 0.000 2.533 32 I HA 0.409 4.579 4.170 -0.001 0.000 0.290 32 I C -2.086 174.224 176.117 0.322 0.000 1.056 32 I CA -2.084 59.317 61.300 0.168 0.000 1.057 32 I CB 3.075 41.131 38.000 0.094 0.000 1.240 32 I HN 0.312 nan 8.210 nan 0.000 0.423 33 P HA 0.418 nan 4.420 nan 0.000 0.274 33 P C -0.489 176.897 177.300 0.143 0.000 1.246 33 P CA -0.061 63.171 63.100 0.221 0.000 0.795 33 P CB 1.438 33.224 31.700 0.143 0.000 1.006 34 G N -1.257 107.596 108.800 0.089 0.000 2.576 34 G HA2 0.434 4.394 3.960 -0.001 0.000 0.290 34 G HA3 0.434 4.394 3.960 -0.001 0.000 0.290 34 G C 0.686 175.608 174.900 0.037 0.000 1.442 34 G CA -0.119 45.025 45.100 0.073 0.000 0.792 34 G HN 0.467 nan 8.290 nan 0.000 0.491 35 G N 0.046 108.878 108.800 0.053 0.000 2.469 35 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.220 35 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.220 35 G C 1.904 176.789 174.900 -0.024 0.000 1.136 35 G CA 2.206 47.327 45.100 0.035 0.000 0.759 35 G HN 1.529 nan 8.290 nan 0.000 0.562 36 S N -0.809 114.876 115.700 -0.025 0.000 2.607 36 S HA 0.262 4.732 4.470 -0.001 0.000 0.224 36 S C 1.335 175.860 174.600 -0.125 0.000 0.969 36 S CA 0.363 58.518 58.200 -0.074 0.000 0.927 36 S CB 0.123 63.314 63.200 -0.015 0.000 0.772 36 S HN 0.328 nan 8.310 nan 0.000 0.533 37 I N 0.366 120.851 120.570 -0.142 0.000 3.817 37 I HA 0.327 4.496 4.170 -0.001 0.000 0.322 37 I C 0.492 176.424 176.117 -0.308 0.000 1.512 37 I CA -0.106 61.050 61.300 -0.240 0.000 1.066 37 I CB 0.403 38.294 38.000 -0.181 0.000 1.336 37 I HN -0.015 nan 8.210 nan 0.000 0.539 38 N N 0.514 119.057 118.700 -0.261 0.000 2.457 38 N HA -0.071 4.668 4.740 -0.001 0.000 0.180 38 N C 1.907 177.147 175.510 -0.450 0.000 1.050 38 N CA 1.408 54.322 53.050 -0.226 0.000 0.906 38 N CB 0.177 38.657 38.487 -0.011 0.000 0.968 38 N HN 0.515 nan 8.380 nan 0.000 0.445 39 S N -0.233 114.914 115.700 -0.922 0.000 2.425 39 S HA 0.074 4.543 4.470 -0.001 0.000 0.225 39 S C 1.876 176.020 174.600 -0.760 0.000 1.024 39 S CA 0.181 57.527 58.200 -1.424 0.000 0.951 39 S CB -0.004 61.896 63.200 -2.166 0.000 0.796 39 S HN 0.059 nan 8.310 nan 0.000 0.498 40 I N 1.864 122.080 120.570 -0.590 0.000 2.315 40 I HA -0.033 4.137 4.170 -0.001 0.000 0.248 40 I C 2.304 178.144 176.117 -0.461 0.000 1.117 40 I CA 1.158 62.164 61.300 -0.490 0.000 1.404 40 I CB -0.981 36.707 38.000 -0.520 0.000 1.071 40 I HN 0.303 nan 8.210 nan 0.000 0.419 41 M N -0.050 119.277 119.600 -0.456 0.000 2.149 41 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 41 M C 1.932 178.095 176.300 -0.227 0.000 1.064 41 M CA 1.517 56.596 55.300 -0.370 0.000 1.102 41 M CB -1.455 30.983 32.600 -0.271 0.000 1.369 41 M HN 0.149 nan 8.290 nan 0.000 0.408 42 D N 0.287 120.586 120.400 -0.168 0.000 2.097 42 D HA -0.056 4.584 4.640 -0.001 0.000 0.195 42 D C 1.935 178.192 176.300 -0.071 0.000 0.989 42 D CA 1.721 55.698 54.000 -0.038 0.000 0.827 42 D CB 0.092 40.969 40.800 0.129 0.000 0.966 42 D HN 0.302 nan 8.370 nan 0.000 0.456 43 A N 0.087 122.819 122.820 -0.147 0.000 1.930 43 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 43 A C 2.482 179.987 177.584 -0.131 0.000 1.175 43 A CA 0.776 52.732 52.037 -0.135 0.000 0.627 43 A CB -0.676 18.211 19.000 -0.188 0.000 0.815 43 A HN 0.319 nan 8.150 nan 0.000 0.443 44 L N -0.855 120.263 121.223 -0.174 0.000 2.093 44 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 44 L C 2.872 179.694 176.870 -0.080 0.000 1.085 44 L CA 1.350 56.103 54.840 -0.146 0.000 0.755 44 L CB -0.403 41.524 42.059 -0.220 0.000 0.904 44 L HN 0.475 nan 8.230 nan 0.000 0.435 45 S N -0.245 115.412 115.700 -0.072 0.000 2.383 45 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 45 S C 2.032 176.631 174.600 -0.002 0.000 1.030 45 S CA 1.399 59.589 58.200 -0.017 0.000 1.002 45 S CB -0.064 63.131 63.200 -0.009 0.000 0.829 45 S HN 0.480 nan 8.310 nan 0.000 0.467 46 A N 0.382 123.193 122.820 -0.015 0.000 2.066 46 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 46 A C 1.683 179.261 177.584 -0.010 0.000 1.157 46 A CA 0.855 52.888 52.037 -0.007 0.000 0.670 46 A CB -0.122 18.872 19.000 -0.010 0.000 0.804 46 A HN 0.462 nan 8.150 nan 0.000 0.453 47 E N -0.245 119.939 120.200 -0.026 0.000 2.499 47 E HA 0.023 4.372 4.350 -0.001 0.000 0.199 47 E C 1.263 177.842 176.600 -0.034 0.000 1.016 47 E CA -0.057 56.324 56.400 -0.033 0.000 0.933 47 E CB 0.048 29.714 29.700 -0.056 0.000 1.050 47 E HN 0.820 nan 8.360 nan 0.000 0.462 48 R N 0.827 121.327 120.500 -0.001 0.000 2.293 48 R HA -0.086 4.254 4.340 -0.001 0.000 0.219 48 R C 0.953 177.269 176.300 0.026 0.000 1.091 48 R CA 1.266 57.381 56.100 0.024 0.000 1.004 48 R CB -0.281 30.067 30.300 0.081 0.000 0.865 48 R HN -0.012 nan 8.270 nan 0.000 0.469 49 D N 1.018 121.430 120.400 0.018 0.000 2.234 49 D HA -0.137 4.502 4.640 -0.001 0.000 0.205 49 D C 1.539 177.834 176.300 -0.009 0.000 0.962 49 D CA 0.702 54.726 54.000 0.039 0.000 0.855 49 D CB -0.085 40.738 40.800 0.038 0.000 0.951 49 D HN 0.313 nan 8.370 nan 0.000 0.500 50 R N -0.598 119.849 120.500 -0.087 0.000 2.250 50 R HA 0.422 4.761 4.340 -0.001 0.000 0.194 50 R C 0.377 176.509 176.300 -0.280 0.000 0.927 50 R CA -0.082 55.947 56.100 -0.119 0.000 1.052 50 R CB 1.331 31.598 30.300 -0.056 0.000 1.055 50 R HN 0.130 nan 8.270 nan 0.000 0.537 51 I N 0.905 121.247 120.570 -0.380 0.000 2.569 51 I HA 0.253 4.422 4.170 -0.001 0.000 0.290 51 I C -1.394 174.436 176.117 -0.479 0.000 1.088 51 I CA -0.978 60.087 61.300 -0.392 0.000 1.047 51 I CB 1.623 39.528 38.000 -0.158 0.000 1.237 51 I HN 0.124 nan 8.210 nan 0.000 0.421 52 H N 6.579 125.681 119.070 0.053 0.000 2.594 52 H HA 0.236 4.792 4.556 -0.001 0.000 0.304 52 H C -1.208 174.146 175.328 0.044 0.000 1.068 52 H CA -0.317 55.764 56.048 0.055 0.000 1.308 52 H CB 0.756 30.530 29.762 0.020 0.000 1.409 52 H HN 0.447 nan 8.280 nan 0.000 0.460 53 Y N 4.850 125.180 120.300 0.049 0.000 2.336 53 Y HA 0.247 4.796 4.550 -0.001 0.000 0.335 53 Y C -1.012 174.860 175.900 -0.046 0.000 1.046 53 Y CA -1.369 56.743 58.100 0.020 0.000 1.198 53 Y CB 0.431 38.945 38.460 0.090 0.000 1.182 53 Y HN 0.508 nan 8.280 nan 0.000 0.502 54 I N 7.382 127.500 120.570 -0.753 0.000 2.330 54 I HA 0.167 4.337 4.170 -0.001 0.000 0.286 54 I C -0.121 175.486 176.117 -0.850 0.000 1.025 54 I CA -0.650 60.089 61.300 -0.936 0.000 1.197 54 I CB 1.124 38.694 38.000 -0.716 0.000 1.358 54 I HN 0.630 nan 8.210 nan 0.000 0.467 55 Q N 7.092 126.471 119.800 -0.702 0.000 2.307 55 Q HA 0.284 4.624 4.340 -0.001 0.000 0.261 55 Q C -0.573 175.427 176.000 0.000 0.000 1.051 55 Q CA -0.182 55.473 55.803 -0.247 0.000 0.911 55 Q CB 1.197 29.953 28.738 0.029 0.000 1.227 55 Q HN 0.597 nan 8.270 nan 0.000 0.418 56 V N 2.805 122.722 119.914 0.005 0.000 3.295 56 V HA 0.430 4.550 4.120 -0.001 0.000 0.308 56 V C 0.907 177.041 176.094 0.067 0.000 1.068 56 V CA -0.689 61.637 62.300 0.044 0.000 1.062 56 V CB 1.284 33.115 31.823 0.014 0.000 1.162 56 V HN 0.688 nan 8.190 nan 0.000 0.456 57 R N -0.433 120.111 120.500 0.073 0.000 2.254 57 R HA 0.259 4.599 4.340 -0.001 0.000 0.195 57 R C 0.257 176.627 176.300 0.117 0.000 0.957 57 R CA 0.513 56.664 56.100 0.084 0.000 1.024 57 R CB -0.462 29.883 30.300 0.074 0.000 0.952 57 R HN 0.946 nan 8.270 nan 0.000 0.484 58 H N -0.160 118.900 119.070 -0.017 0.000 2.947 58 H HA 0.163 4.718 4.556 -0.001 0.000 0.354 58 H C -0.180 175.108 175.328 -0.067 0.000 1.085 58 H CA -0.184 55.830 56.048 -0.057 0.000 1.253 58 H CB 1.654 31.343 29.762 -0.121 0.000 1.757 58 H HN -0.208 nan 8.280 nan 0.000 0.523 59 E N 2.301 122.494 120.200 -0.012 0.000 2.204 59 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 59 E C 1.784 178.439 176.600 0.092 0.000 0.990 59 E CA 1.421 57.843 56.400 0.037 0.000 0.821 59 E CB 0.156 29.892 29.700 0.060 0.000 0.750 59 E HN 0.793 nan 8.360 nan 0.000 0.477 60 E N 0.525 120.866 120.200 0.235 0.000 2.204 60 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 60 E C 1.767 178.369 176.600 0.002 0.000 0.990 60 E CA 1.194 57.663 56.400 0.114 0.000 0.821 60 E CB -0.152 29.591 29.700 0.073 0.000 0.750 60 E HN 0.118 nan 8.360 nan 0.000 0.477 61 V N 1.473 121.378 119.914 -0.016 0.000 2.427 61 V HA -0.144 3.976 4.120 -0.001 0.000 0.248 61 V C 2.491 178.461 176.094 -0.207 0.000 1.051 61 V CA 1.856 64.097 62.300 -0.098 0.000 1.048 61 V CB -0.759 31.023 31.823 -0.070 0.000 0.666 61 V HN 0.563 nan 8.190 nan 0.000 0.456 62 G N -0.257 108.437 108.800 -0.177 0.000 2.421 62 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.216 62 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.216 62 G C 1.772 176.502 174.900 -0.283 0.000 1.171 62 G CA 1.056 45.988 45.100 -0.280 0.000 0.775 62 G HN 0.595 nan 8.290 nan 0.000 0.543 63 A N 0.362 123.106 122.820 -0.128 0.000 1.898 63 A HA 0.091 4.410 4.320 -0.001 0.000 0.216 63 A C 2.463 179.980 177.584 -0.113 0.000 1.181 63 A CA 1.759 53.746 52.037 -0.084 0.000 0.620 63 A CB -0.327 18.664 19.000 -0.016 0.000 0.819 63 A HN 0.381 nan 8.150 nan 0.000 0.442 64 M N -0.627 118.903 119.600 -0.117 0.000 2.175 64 M HA -0.104 4.376 4.480 -0.001 0.000 0.264 64 M C 2.464 178.667 176.300 -0.162 0.000 1.063 64 M CA 1.352 56.593 55.300 -0.098 0.000 1.119 64 M CB -0.281 32.279 32.600 -0.066 0.000 1.377 64 M HN 0.473 nan 8.290 nan 0.000 0.415 65 A N 0.152 122.774 122.820 -0.329 0.000 1.930 65 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 65 A C 2.325 179.740 177.584 -0.282 0.000 1.175 65 A CA 1.674 53.462 52.037 -0.415 0.000 0.627 65 A CB -0.829 17.639 19.000 -0.887 0.000 0.815 65 A HN 0.482 nan 8.150 nan 0.000 0.443 66 A N -0.019 122.642 122.820 -0.265 0.000 1.902 66 A HA 0.168 4.488 4.320 -0.001 0.000 0.217 66 A C 2.480 180.058 177.584 -0.009 0.000 1.181 66 A CA 1.982 54.037 52.037 0.031 0.000 0.623 66 A CB -0.938 18.096 19.000 0.057 0.000 0.818 66 A HN 1.003 nan 8.150 nan 0.000 0.443 67 A N -0.167 122.624 122.820 -0.049 0.000 1.930 67 A HA 0.189 4.509 4.320 -0.001 0.000 0.217 67 A C 2.483 180.057 177.584 -0.017 0.000 1.175 67 A CA 1.959 53.972 52.037 -0.040 0.000 0.627 67 A CB -0.948 18.024 19.000 -0.046 0.000 0.815 67 A HN 1.033 nan 8.150 nan 0.000 0.443 68 A N 0.019 122.833 122.820 -0.010 0.000 1.933 68 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 68 A C 1.779 179.399 177.584 0.061 0.000 1.175 68 A CA 1.776 53.826 52.037 0.022 0.000 0.628 68 A CB -0.567 18.444 19.000 0.018 0.000 0.814 68 A HN 0.477 nan 8.150 nan 0.000 0.444 69 D N 0.255 120.706 120.400 0.086 0.000 2.106 69 D HA -0.155 4.485 4.640 -0.001 0.000 0.191 69 D C 2.245 178.588 176.300 0.072 0.000 0.997 69 D CA 1.838 55.907 54.000 0.115 0.000 0.834 69 D CB -0.438 40.444 40.800 0.137 0.000 0.956 69 D HN 0.433 nan 8.370 nan 0.000 0.448 70 A N 0.887 123.727 122.820 0.034 0.000 1.930 70 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 70 A C 2.081 179.692 177.584 0.046 0.000 1.175 70 A CA 1.340 53.392 52.037 0.025 0.000 0.627 70 A CB -0.316 18.670 19.000 -0.023 0.000 0.815 70 A HN 0.149 nan 8.150 nan 0.000 0.443 71 K N -0.422 119.998 120.400 0.033 0.000 2.057 71 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 71 K C 1.775 178.415 176.600 0.067 0.000 1.049 71 K CA 1.439 57.745 56.287 0.031 0.000 0.931 71 K CB -0.324 32.181 32.500 0.008 0.000 0.714 71 K HN 0.464 nan 8.250 nan 0.000 0.440 72 L N 0.054 121.339 121.223 0.103 0.000 2.095 72 L HA -0.102 4.237 4.340 -0.001 0.000 0.204 72 L C 2.528 179.513 176.870 0.193 0.000 1.080 72 L CA 1.449 56.389 54.840 0.167 0.000 0.759 72 L CB -0.356 41.846 42.059 0.238 0.000 0.914 72 L HN 0.349 nan 8.230 nan 0.000 0.439 73 T N -5.177 109.469 114.554 0.154 0.000 2.990 73 T HA 0.265 4.614 4.350 -0.001 0.000 0.249 73 T C 1.491 176.272 174.700 0.135 0.000 1.039 73 T CA 0.538 62.727 62.100 0.148 0.000 1.036 73 T CB 0.900 69.827 68.868 0.098 0.000 0.994 73 T HN 0.385 nan 8.240 nan 0.000 0.489 74 G N 1.535 110.413 108.800 0.130 0.000 2.179 74 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.260 74 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.260 74 G C -0.029 175.003 174.900 0.220 0.000 0.977 74 G CA 0.453 45.649 45.100 0.160 0.000 0.641 74 G HN 0.898 nan 8.290 nan 0.000 0.533 75 K N 0.497 120.998 120.400 0.167 0.000 2.118 75 K HA 0.666 4.986 4.320 -0.001 0.000 0.267 75 K C 0.772 177.386 176.600 0.024 0.000 0.991 75 K CA -1.054 55.344 56.287 0.185 0.000 0.916 75 K CB 0.849 33.419 32.500 0.115 0.000 1.041 75 K HN 0.246 nan 8.250 nan 0.000 0.455 76 I N 3.353 123.832 120.570 -0.153 0.000 2.741 76 I HA 0.047 4.216 4.170 -0.001 0.000 0.288 76 I C 0.322 176.319 176.117 -0.200 0.000 1.192 76 I CA 0.484 61.557 61.300 -0.378 0.000 1.426 76 I CB 0.275 37.833 38.000 -0.737 0.000 1.367 76 I HN 0.790 nan 8.210 nan 0.000 0.563 77 G N 6.329 115.040 108.800 -0.148 0.000 2.448 77 G HA2 0.533 4.492 3.960 -0.001 0.000 0.285 77 G HA3 0.533 4.492 3.960 -0.001 0.000 0.285 77 G C -1.069 173.787 174.900 -0.073 0.000 1.176 77 G CA -0.431 44.627 45.100 -0.070 0.000 0.852 77 G HN 0.526 nan 8.290 nan 0.000 0.530 78 V N 0.563 120.467 119.914 -0.017 0.000 2.709 78 V HA 0.614 4.734 4.120 -0.001 0.000 0.308 78 V C 0.144 176.306 176.094 0.113 0.000 1.062 78 V CA -0.672 61.625 62.300 -0.004 0.000 0.901 78 V CB 1.193 32.988 31.823 -0.048 0.000 1.003 78 V HN 1.269 nan 8.190 nan 0.000 0.425 79 C N 3.140 122.502 119.300 0.103 0.000 3.291 79 C HA 1.012 5.472 4.460 -0.001 0.000 0.316 79 C C -1.060 174.003 174.990 0.122 0.000 1.391 79 C CA -0.992 58.089 59.018 0.105 0.000 1.394 79 C CB 1.329 29.099 27.740 0.050 0.000 1.744 79 C HN 1.052 nan 8.230 nan 0.000 0.461 80 F N -0.562 119.419 119.950 0.052 0.000 2.686 80 F HA 0.940 5.466 4.527 -0.000 0.000 0.311 80 F C -0.336 175.479 175.800 0.026 0.000 1.128 80 F CA -0.469 57.530 58.000 -0.001 0.000 0.946 80 F CB 1.298 40.279 39.000 -0.031 0.000 1.336 80 F HN 1.181 nan 8.300 nan 0.000 0.457 81 G N 0.404 109.335 108.800 0.220 0.000 2.659 81 G HA2 0.561 4.521 3.960 -0.001 0.000 0.296 81 G HA3 0.561 4.521 3.960 -0.001 0.000 0.296 81 G C -1.337 173.671 174.900 0.180 0.000 1.369 81 G CA -0.617 44.575 45.100 0.154 0.000 0.937 81 G HN 1.059 nan 8.290 nan 0.000 0.485 82 S N 0.266 116.055 115.700 0.148 0.000 2.608 82 S HA 0.641 5.111 4.470 -0.001 0.000 0.261 82 S C 0.969 175.600 174.600 0.051 0.000 1.314 82 S CA 0.138 58.391 58.200 0.088 0.000 0.992 82 S CB 1.064 64.312 63.200 0.081 0.000 0.935 82 S HN 1.832 nan 8.310 nan 0.000 0.564 83 A N 0.902 123.741 122.820 0.031 0.000 2.555 83 A HA 0.521 4.841 4.320 -0.001 0.000 0.233 83 A C 1.528 179.115 177.584 0.004 0.000 1.060 83 A CA 0.281 52.335 52.037 0.028 0.000 0.759 83 A CB -1.460 17.560 19.000 0.034 0.000 0.995 83 A HN 2.429 nan 8.150 nan 0.000 0.506 84 G N 1.773 110.579 108.800 0.010 0.000 2.574 84 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.301 84 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.301 84 G C -0.582 174.296 174.900 -0.035 0.000 1.166 84 G CA 0.487 45.568 45.100 -0.031 0.000 0.971 84 G HN 0.916 nan 8.290 nan 0.000 0.542 85 P HA 0.007 nan 4.420 nan 0.000 0.225 85 P C 1.791 178.979 177.300 -0.187 0.000 1.148 85 P CA 2.374 65.368 63.100 -0.175 0.000 0.779 85 P CB -0.589 30.985 31.700 -0.210 0.000 0.780 86 G N 0.628 109.395 108.800 -0.055 0.000 2.404 86 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.214 86 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.214 86 G C 1.861 176.807 174.900 0.077 0.000 1.189 86 G CA 0.779 45.889 45.100 0.017 0.000 0.789 86 G HN 0.349 nan 8.290 nan 0.000 0.533 87 G N 0.547 109.409 108.800 0.103 0.000 2.408 87 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.217 87 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.217 87 G C 1.958 177.017 174.900 0.265 0.000 1.150 87 G CA 2.056 47.268 45.100 0.187 0.000 0.776 87 G HN 0.561 nan 8.290 nan 0.000 0.542 88 T N -2.564 112.086 114.554 0.161 0.000 2.995 88 T HA -0.019 4.331 4.350 -0.001 0.000 0.269 88 T C 1.864 176.675 174.700 0.184 0.000 1.091 88 T CA 1.157 63.330 62.100 0.122 0.000 1.128 88 T CB -0.542 68.333 68.868 0.012 0.000 0.891 88 T HN 0.532 nan 8.240 nan 0.000 0.492 89 H N 0.477 119.596 119.070 0.082 0.000 2.521 89 H HA 0.207 4.762 4.556 -0.001 0.000 0.286 89 H C 1.787 177.194 175.328 0.132 0.000 1.034 89 H CA 0.508 56.611 56.048 0.092 0.000 1.278 89 H CB -0.106 29.636 29.762 -0.033 0.000 1.386 89 H HN 0.311 nan 8.280 nan 0.000 0.567 90 L N -0.148 121.216 121.223 0.234 0.000 2.376 90 L HA -0.150 4.190 4.340 -0.001 0.000 0.219 90 L C 2.067 179.038 176.870 0.167 0.000 1.133 90 L CA -0.052 54.885 54.840 0.161 0.000 0.816 90 L CB -0.159 41.976 42.059 0.126 0.000 0.933 90 L HN 0.350 nan 8.230 nan 0.000 0.449 91 M N 0.128 119.858 119.600 0.216 0.000 2.108 91 M HA -0.252 4.228 4.480 -0.001 0.000 0.257 91 M C 1.856 178.313 176.300 0.262 0.000 1.071 91 M CA 1.815 57.266 55.300 0.251 0.000 1.093 91 M CB -1.361 31.391 32.600 0.253 0.000 1.345 91 M HN 0.270 nan 8.290 nan 0.000 0.403 92 N N -0.093 118.749 118.700 0.237 0.000 2.309 92 N HA -0.043 4.697 4.740 -0.001 0.000 0.182 92 N C 1.729 177.356 175.510 0.194 0.000 1.018 92 N CA 1.365 54.599 53.050 0.305 0.000 0.876 92 N CB -0.503 38.148 38.487 0.274 0.000 0.972 92 N HN 0.495 nan 8.380 nan 0.000 0.434 93 G N 0.041 108.902 108.800 0.101 0.000 2.430 93 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.216 93 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.216 93 G C 1.392 176.276 174.900 -0.027 0.000 1.146 93 G CA 0.173 45.291 45.100 0.031 0.000 0.793 93 G HN 0.194 nan 8.290 nan 0.000 0.537 94 L N -1.084 120.117 121.223 -0.036 0.000 2.109 94 L HA 0.019 4.359 4.340 -0.001 0.000 0.207 94 L C 2.572 179.266 176.870 -0.294 0.000 1.086 94 L CA 0.771 55.531 54.840 -0.133 0.000 0.760 94 L CB -0.443 41.555 42.059 -0.101 0.000 0.910 94 L HN 0.137 nan 8.230 nan 0.000 0.437 95 Y N 0.244 120.327 120.300 -0.361 0.000 2.293 95 Y HA -0.261 4.289 4.550 -0.001 0.000 0.291 95 Y C 2.397 177.890 175.900 -0.678 0.000 1.137 95 Y CA 1.656 59.334 58.100 -0.702 0.000 1.202 95 Y CB -0.219 37.355 38.460 -1.478 0.000 0.990 95 Y HN 0.248 nan 8.280 nan 0.000 0.537 96 D N -0.340 119.879 120.400 -0.302 0.000 2.117 96 D HA -0.171 4.468 4.640 -0.001 0.000 0.198 96 D C 2.206 178.461 176.300 -0.075 0.000 0.982 96 D CA 1.324 55.297 54.000 -0.045 0.000 0.828 96 D CB -0.177 40.679 40.800 0.095 0.000 0.967 96 D HN 0.226 nan 8.370 nan 0.000 0.464 97 A N 0.251 123.007 122.820 -0.107 0.000 1.930 97 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 97 A C 2.275 179.797 177.584 -0.103 0.000 1.175 97 A CA 1.455 53.432 52.037 -0.101 0.000 0.627 97 A CB -0.606 18.332 19.000 -0.103 0.000 0.815 97 A HN 0.231 nan 8.150 nan 0.000 0.443 98 R N -0.502 119.910 120.500 -0.146 0.000 2.066 98 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 98 R C 1.822 178.101 176.300 -0.035 0.000 1.131 98 R CA 1.599 57.632 56.100 -0.112 0.000 0.955 98 R CB -0.164 30.009 30.300 -0.212 0.000 0.851 98 R HN 0.411 nan 8.270 nan 0.000 0.432 99 E N 0.491 120.670 120.200 -0.035 0.000 2.152 99 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 99 E C 0.924 177.530 176.600 0.010 0.000 0.983 99 E CA 0.975 57.402 56.400 0.045 0.000 0.818 99 E CB -0.065 29.706 29.700 0.118 0.000 0.758 99 E HN 0.345 nan 8.360 nan 0.000 0.467 100 D N 0.092 120.434 120.400 -0.096 0.000 2.325 100 D HA -0.015 4.624 4.640 -0.001 0.000 0.225 100 D C -0.452 175.445 176.300 -0.672 0.000 1.096 100 D CA 0.117 53.924 54.000 -0.321 0.000 0.844 100 D CB -0.601 40.082 40.800 -0.195 0.000 0.925 100 D HN 0.320 nan 8.370 nan 0.000 0.513 101 H N -1.956 117.122 119.070 0.013 0.000 2.506 101 H HA -0.155 4.400 4.556 -0.001 0.000 0.323 101 H C -0.668 174.669 175.328 0.014 0.000 1.076 101 H CA 0.273 56.328 56.048 0.013 0.000 1.108 101 H CB -2.648 27.132 29.762 0.029 0.000 1.569 101 H HN -0.006 nan 8.280 nan 0.000 0.399 102 V N -2.221 117.687 119.914 -0.010 0.000 2.769 102 V HA 0.758 4.878 4.120 -0.001 0.000 0.312 102 V C -2.288 173.780 176.094 -0.043 0.000 1.061 102 V CA -2.439 59.858 62.300 -0.005 0.000 0.931 102 V CB 2.564 34.364 31.823 -0.039 0.000 1.010 102 V HN 0.332 nan 8.190 nan 0.000 0.433 103 P HA 0.383 nan 4.420 nan 0.000 0.276 103 P C -0.877 176.286 177.300 -0.228 0.000 1.243 103 P CA -0.007 62.969 63.100 -0.207 0.000 0.768 103 P CB 1.616 33.077 31.700 -0.398 0.000 0.856 104 V N 4.828 124.619 119.914 -0.205 0.000 2.808 104 V HA 0.282 4.402 4.120 -0.001 0.000 0.308 104 V C -0.354 175.634 176.094 -0.176 0.000 1.099 104 V CA -0.808 61.390 62.300 -0.170 0.000 0.920 104 V CB 2.385 34.139 31.823 -0.115 0.000 1.014 104 V HN 0.408 nan 8.190 nan 0.000 0.425 105 L N 4.552 125.673 121.223 -0.170 0.000 2.296 105 L HA 0.947 5.286 4.340 -0.001 0.000 0.286 105 L C 0.021 176.832 176.870 -0.098 0.000 1.023 105 L CA -0.061 54.689 54.840 -0.151 0.000 0.812 105 L CB 1.334 43.285 42.059 -0.180 0.000 1.223 105 L HN 0.794 nan 8.230 nan 0.000 0.421 106 A N 6.400 129.160 122.820 -0.100 0.000 2.330 106 A HA 0.727 5.047 4.320 -0.001 0.000 0.313 106 A C -1.174 176.349 177.584 -0.102 0.000 1.124 106 A CA -0.570 51.416 52.037 -0.085 0.000 0.774 106 A CB 0.660 19.586 19.000 -0.123 0.000 1.198 106 A HN 0.722 nan 8.150 nan 0.000 0.465 107 L N 3.533 124.735 121.223 -0.035 0.000 2.309 107 L HA 0.526 4.865 4.340 -0.001 0.000 0.282 107 L C -0.655 176.181 176.870 -0.057 0.000 1.036 107 L CA -0.654 54.147 54.840 -0.065 0.000 0.806 107 L CB 1.266 43.291 42.059 -0.057 0.000 1.220 107 L HN 0.476 nan 8.230 nan 0.000 0.429 108 I N 2.067 122.562 120.570 -0.126 0.000 2.433 108 I HA 0.358 4.528 4.170 -0.001 0.000 0.292 108 I C 0.739 176.813 176.117 -0.072 0.000 1.001 108 I CA -0.301 60.933 61.300 -0.109 0.000 1.119 108 I CB 1.491 39.352 38.000 -0.231 0.000 1.289 108 I HN 0.591 nan 8.210 nan 0.000 0.438 109 G N 4.206 112.988 108.800 -0.031 0.000 2.544 109 G HA2 0.348 4.308 3.960 -0.001 0.000 0.242 109 G HA3 0.348 4.308 3.960 -0.001 0.000 0.242 109 G C -0.499 174.389 174.900 -0.019 0.000 1.247 109 G CA 0.128 45.200 45.100 -0.046 0.000 0.840 109 G HN 0.576 nan 8.290 nan 0.000 0.578 110 Q N -0.189 119.599 119.800 -0.019 0.000 2.418 110 Q HA 0.506 4.845 4.340 -0.001 0.000 0.282 110 Q C -1.178 174.860 176.000 0.062 0.000 1.044 110 Q CA -0.921 54.905 55.803 0.038 0.000 0.813 110 Q CB 1.453 30.207 28.738 0.028 0.000 1.428 110 Q HN 0.434 nan 8.270 nan 0.000 0.402 111 F N 1.388 121.332 119.950 -0.010 0.000 2.539 111 F HA 0.522 5.049 4.527 -0.001 0.000 0.340 111 F C 1.173 176.979 175.800 0.010 0.000 1.185 111 F CA 1.328 59.335 58.000 0.011 0.000 1.333 111 F CB 0.598 39.609 39.000 0.019 0.000 1.152 111 F HN 0.639 nan 8.300 nan 0.000 0.602 112 G N 2.151 110.896 108.800 -0.091 0.000 2.562 112 G HA2 0.124 4.083 3.960 -0.001 0.000 0.233 112 G HA3 0.124 4.083 3.960 -0.001 0.000 0.233 112 G C 0.893 175.909 174.900 0.193 0.000 1.266 112 G CA 0.059 45.180 45.100 0.036 0.000 0.852 112 G HN 0.967 nan 8.290 nan 0.000 0.581 113 T N -1.927 112.693 114.554 0.111 0.000 2.881 113 T HA -0.216 4.134 4.350 -0.001 0.000 0.270 113 T C 2.276 177.046 174.700 0.116 0.000 1.068 113 T CA 2.038 64.198 62.100 0.100 0.000 1.131 113 T CB -0.623 68.281 68.868 0.060 0.000 0.871 113 T HN 0.735 nan 8.240 nan 0.000 0.479 114 T N -1.717 112.918 114.554 0.136 0.000 3.085 114 T HA 0.270 4.620 4.350 -0.001 0.000 0.263 114 T C 1.957 176.752 174.700 0.158 0.000 1.127 114 T CA 0.682 62.857 62.100 0.126 0.000 1.103 114 T CB -0.396 68.540 68.868 0.114 0.000 0.921 114 T HN 0.505 nan 8.240 nan 0.000 0.510 115 G N 0.156 109.116 108.800 0.266 0.000 2.944 115 G HA2 0.391 4.350 3.960 -0.001 0.000 0.220 115 G HA3 0.391 4.350 3.960 -0.001 0.000 0.220 115 G C 0.365 175.238 174.900 -0.045 0.000 1.100 115 G CA -0.605 44.575 45.100 0.134 0.000 0.780 115 G HN 0.407 nan 8.290 nan 0.000 0.539 116 M N 1.447 121.097 119.600 0.084 0.000 2.249 116 M HA 0.107 4.587 4.480 -0.001 0.000 0.340 116 M C 0.474 176.762 176.300 -0.021 0.000 1.166 116 M CA 0.228 55.542 55.300 0.023 0.000 1.115 116 M CB 0.290 32.930 32.600 0.066 0.000 1.606 116 M HN 0.150 nan 8.290 nan 0.000 0.448 117 N N 1.050 119.724 118.700 -0.043 0.000 2.708 117 N HA -0.180 4.560 4.740 -0.001 0.000 0.251 117 N C -0.108 175.369 175.510 -0.054 0.000 1.123 117 N CA 0.820 53.846 53.050 -0.041 0.000 0.739 117 N CB -0.696 37.780 38.487 -0.018 0.000 1.113 117 N HN 0.624 nan 8.380 nan 0.000 0.561 118 M N -0.029 119.516 119.600 -0.092 0.000 2.371 118 M HA 0.065 4.544 4.480 -0.001 0.000 0.246 118 M C -0.145 176.094 176.300 -0.102 0.000 1.103 118 M CA 0.197 55.442 55.300 -0.092 0.000 1.010 118 M CB -0.435 32.097 32.600 -0.112 0.000 1.457 118 M HN -0.017 nan 8.290 nan 0.000 0.486 119 D N 1.781 122.114 120.400 -0.112 0.000 2.737 119 D HA -0.146 4.494 4.640 -0.001 0.000 0.238 119 D C 0.435 176.666 176.300 -0.116 0.000 1.157 119 D CA 0.901 54.842 54.000 -0.099 0.000 0.694 119 D CB -0.909 39.857 40.800 -0.057 0.000 1.021 119 D HN 0.295 nan 8.370 nan 0.000 0.420 120 T N -1.052 113.374 114.554 -0.214 0.000 2.880 120 T HA 0.449 4.798 4.350 -0.001 0.000 0.279 120 T C -0.069 174.566 174.700 -0.107 0.000 0.990 120 T CA -0.722 61.252 62.100 -0.210 0.000 0.938 120 T CB 0.665 69.247 68.868 -0.476 0.000 1.206 120 T HN 0.075 nan 8.240 nan 0.000 0.573 121 F N 2.121 121.997 119.950 -0.124 0.000 2.571 121 F HA 0.197 4.723 4.527 -0.001 0.000 0.384 121 F C 1.363 177.182 175.800 0.033 0.000 1.058 121 F CA 0.539 58.533 58.000 -0.011 0.000 1.200 121 F CB -0.291 38.745 39.000 0.060 0.000 1.077 121 F HN 0.838 nan 8.300 nan 0.000 0.558 122 Q N 2.057 121.482 119.800 -0.624 0.000 2.461 122 Q HA -0.287 4.053 4.340 -0.001 0.000 0.273 122 Q C -0.557 175.343 176.000 -0.167 0.000 1.163 122 Q CA 1.083 56.593 55.803 -0.489 0.000 0.929 122 Q CB -0.763 27.559 28.738 -0.693 0.000 1.334 122 Q HN 0.751 nan 8.270 nan 0.000 0.499 123 E N 0.982 121.098 120.200 -0.140 0.000 2.171 123 E HA 0.578 4.927 4.350 -0.001 0.000 0.271 123 E C -0.382 176.168 176.600 -0.084 0.000 0.916 123 E CA -0.339 56.007 56.400 -0.091 0.000 0.774 123 E CB 0.947 30.500 29.700 -0.245 0.000 1.128 123 E HN 0.401 nan 8.360 nan 0.000 0.403 124 M N 2.278 121.853 119.600 -0.043 0.000 2.773 124 M HA 0.428 4.907 4.480 -0.001 0.000 0.270 124 M C -1.192 175.100 176.300 -0.013 0.000 1.238 124 M CA -1.098 54.180 55.300 -0.037 0.000 0.832 124 M CB 1.312 33.887 32.600 -0.041 0.000 1.672 124 M HN 0.171 nan 8.290 nan 0.000 0.480 125 N N 1.471 120.164 118.700 -0.012 0.000 2.399 125 N HA 0.167 4.907 4.740 -0.001 0.000 0.259 125 N C -0.202 175.316 175.510 0.012 0.000 1.160 125 N CA 0.361 53.411 53.050 0.001 0.000 0.946 125 N CB 0.516 38.999 38.487 -0.006 0.000 1.156 125 N HN 0.760 nan 8.380 nan 0.000 0.489 126 E N 1.994 122.219 120.200 0.042 0.000 2.442 126 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 126 E C 1.008 177.687 176.600 0.132 0.000 1.030 126 E CA -0.057 56.399 56.400 0.094 0.000 0.869 126 E CB 0.151 29.944 29.700 0.155 0.000 0.857 126 E HN 0.630 nan 8.360 nan 0.000 0.505 127 N N 1.448 120.195 118.700 0.078 0.000 2.120 127 N HA -0.087 4.652 4.740 -0.001 0.000 0.188 127 N C -0.961 174.580 175.510 0.052 0.000 1.024 127 N CA 0.985 54.082 53.050 0.077 0.000 0.852 127 N CB -0.275 38.225 38.487 0.022 0.000 1.003 127 N HN 0.087 nan 8.380 nan 0.000 0.424 128 P HA -0.007 nan 4.420 nan 0.000 0.223 128 P C 1.362 178.615 177.300 -0.078 0.000 1.151 128 P CA 0.701 63.786 63.100 -0.025 0.000 0.787 128 P CB -0.032 31.652 31.700 -0.027 0.000 0.788 129 I N -2.324 118.149 120.570 -0.161 0.000 2.286 129 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 129 I C 1.417 177.208 176.117 -0.543 0.000 1.115 129 I CA 1.606 62.663 61.300 -0.404 0.000 1.392 129 I CB -0.565 37.042 38.000 -0.655 0.000 1.065 129 I HN -0.033 nan 8.210 nan 0.000 0.418 130 Y N 0.061 120.354 120.300 -0.012 0.000 2.458 130 Y HA 0.364 4.913 4.550 -0.001 0.000 0.256 130 Y C 2.235 178.108 175.900 -0.046 0.000 1.159 130 Y CA 0.142 58.223 58.100 -0.032 0.000 1.261 130 Y CB -0.376 38.053 38.460 -0.051 0.000 1.119 130 Y HN 0.003 nan 8.280 nan 0.000 0.524 131 A N 0.189 123.030 122.820 0.036 0.000 1.933 131 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 131 A C 1.835 179.426 177.584 0.012 0.000 1.175 131 A CA 2.316 54.365 52.037 0.020 0.000 0.628 131 A CB -0.560 18.444 19.000 0.006 0.000 0.814 131 A HN 0.447 nan 8.150 nan 0.000 0.444 132 D N -1.274 119.137 120.400 0.019 0.000 2.137 132 D HA -0.078 4.561 4.640 -0.001 0.000 0.202 132 D C 1.686 177.964 176.300 -0.036 0.000 0.970 132 D CA 1.195 55.216 54.000 0.034 0.000 0.837 132 D CB -0.019 40.846 40.800 0.109 0.000 0.981 132 D HN 0.085 nan 8.370 nan 0.000 0.475 133 V N -0.202 119.622 119.914 -0.149 0.000 2.667 133 V HA 0.230 4.350 4.120 -0.001 0.000 0.252 133 V C 0.730 176.685 176.094 -0.231 0.000 1.065 133 V CA 1.012 63.050 62.300 -0.437 0.000 1.083 133 V CB -0.337 31.034 31.823 -0.753 0.000 0.692 133 V HN 0.325 nan 8.190 nan 0.000 0.468 134 A N -0.275 122.489 122.820 -0.093 0.000 2.305 134 A HA 0.383 4.703 4.320 -0.001 0.000 0.322 134 A C 0.775 178.358 177.584 -0.002 0.000 1.187 134 A CA 0.190 52.200 52.037 -0.044 0.000 0.825 134 A CB 0.986 19.981 19.000 -0.007 0.000 1.164 134 A HN 0.440 nan 8.150 nan 0.000 0.498 135 D N 0.216 120.634 120.400 0.030 0.000 2.149 135 D HA -0.084 4.556 4.640 -0.001 0.000 0.201 135 D C -0.162 176.244 176.300 0.176 0.000 0.972 135 D CA 1.488 55.541 54.000 0.090 0.000 0.835 135 D CB 0.025 40.901 40.800 0.126 0.000 0.966 135 D HN 0.476 nan 8.370 nan 0.000 0.476 136 Y N 0.057 120.356 120.300 -0.002 0.000 2.373 136 Y HA 0.504 5.053 4.550 -0.001 0.000 0.336 136 Y C -1.610 174.275 175.900 -0.024 0.000 0.979 136 Y CA -1.518 56.578 58.100 -0.006 0.000 1.080 136 Y CB 1.379 39.827 38.460 -0.020 0.000 1.190 136 Y HN -0.173 nan 8.280 nan 0.000 0.446 137 N N 5.089 123.562 118.700 -0.377 0.000 2.621 137 N HA 0.498 5.238 4.740 -0.001 0.000 0.271 137 N C -2.272 173.037 175.510 -0.335 0.000 1.181 137 N CA -0.355 52.537 53.050 -0.262 0.000 0.805 137 N CB 1.057 39.496 38.487 -0.081 0.000 1.351 137 N HN 0.511 nan 8.380 nan 0.000 0.539 138 V N -0.170 119.512 119.914 -0.387 0.000 3.007 138 V HA 0.747 4.867 4.120 -0.001 0.000 0.311 138 V C -0.218 175.776 176.094 -0.166 0.000 1.120 138 V CA -0.679 61.445 62.300 -0.294 0.000 0.980 138 V CB 1.682 33.266 31.823 -0.397 0.000 1.033 138 V HN 0.378 nan 8.190 nan 0.000 0.429 139 T N 3.244 117.738 114.554 -0.100 0.000 2.749 139 T HA 0.733 5.083 4.350 -0.001 0.000 0.287 139 T C 0.279 174.950 174.700 -0.048 0.000 0.970 139 T CA 0.286 62.349 62.100 -0.062 0.000 0.980 139 T CB 1.138 69.988 68.868 -0.030 0.000 0.924 139 T HN 1.382 nan 8.240 nan 0.000 0.456 140 A N 2.510 125.303 122.820 -0.045 0.000 2.401 140 A HA 0.488 4.807 4.320 -0.001 0.000 0.259 140 A C 1.202 178.777 177.584 -0.014 0.000 1.103 140 A CA -0.531 51.491 52.037 -0.025 0.000 0.789 140 A CB 0.103 19.083 19.000 -0.034 0.000 1.035 140 A HN 1.012 nan 8.150 nan 0.000 0.491 141 V N -0.114 119.799 119.914 -0.001 0.000 3.398 141 V HA 0.362 4.482 4.120 -0.001 0.000 0.298 141 V C 0.117 176.218 176.094 0.011 0.000 1.496 141 V CA 0.154 62.458 62.300 0.007 0.000 1.044 141 V CB -0.735 31.094 31.823 0.011 0.000 0.880 141 V HN 0.812 nan 8.190 nan 0.000 0.443 142 N N 0.078 118.784 118.700 0.011 0.000 2.308 142 N HA 0.575 5.314 4.740 -0.001 0.000 0.283 142 N C 0.612 176.129 175.510 0.011 0.000 1.105 142 N CA 0.418 53.478 53.050 0.016 0.000 0.840 142 N CB 2.596 41.098 38.487 0.024 0.000 1.633 142 N HN 0.089 nan 8.380 nan 0.000 0.476 143 A N 2.652 125.478 122.820 0.010 0.000 1.930 143 A HA 0.145 4.465 4.320 -0.001 0.000 0.215 143 A C 1.911 179.502 177.584 0.012 0.000 1.176 143 A CA 1.622 53.658 52.037 -0.001 0.000 0.632 143 A CB -0.542 18.459 19.000 0.002 0.000 0.819 143 A HN 0.737 nan 8.150 nan 0.000 0.445 144 A N -0.161 122.678 122.820 0.033 0.000 2.015 144 A HA -0.027 4.293 4.320 -0.001 0.000 0.219 144 A C 2.198 179.826 177.584 0.073 0.000 1.163 144 A CA 2.104 54.175 52.037 0.056 0.000 0.646 144 A CB -0.943 18.092 19.000 0.059 0.000 0.806 144 A HN 0.715 nan 8.150 nan 0.000 0.448 145 T N -3.148 111.444 114.554 0.062 0.000 3.086 145 T HA 0.155 4.505 4.350 -0.001 0.000 0.250 145 T C 1.493 176.250 174.700 0.094 0.000 1.074 145 T CA 0.613 62.766 62.100 0.089 0.000 0.988 145 T CB -0.135 68.778 68.868 0.076 0.000 0.988 145 T HN 0.116 nan 8.240 nan 0.000 0.530 146 L N 2.450 123.698 121.223 0.041 0.000 2.017 146 L HA 0.158 4.497 4.340 -0.001 0.000 0.208 146 L C -0.903 175.961 176.870 -0.009 0.000 1.073 146 L CA 1.766 56.607 54.840 0.002 0.000 0.745 146 L CB -1.145 40.886 42.059 -0.048 0.000 0.894 146 L HN 0.109 nan 8.230 nan 0.000 0.432 147 P HA -0.227 nan 4.420 nan 0.000 0.216 147 P C 1.542 178.860 177.300 0.030 0.000 1.153 147 P CA 1.718 64.807 63.100 -0.019 0.000 0.858 147 P CB -0.326 31.377 31.700 0.004 0.000 0.789 148 H N -0.268 118.800 119.070 -0.005 0.000 2.353 148 H HA -0.074 4.482 4.556 -0.001 0.000 0.300 148 H C 1.697 177.019 175.328 -0.011 0.000 1.090 148 H CA 1.334 57.360 56.048 -0.037 0.000 1.327 148 H CB -0.366 29.390 29.762 -0.010 0.000 1.383 148 H HN -0.120 nan 8.280 nan 0.000 0.508 149 V N 1.549 121.487 119.914 0.041 0.000 2.407 149 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 149 V C 2.731 178.807 176.094 -0.030 0.000 1.055 149 V CA 1.228 63.553 62.300 0.042 0.000 1.049 149 V CB -0.429 31.448 31.823 0.091 0.000 0.662 149 V HN 0.382 nan 8.190 nan 0.000 0.455 150 I N 0.286 120.816 120.570 -0.067 0.000 2.315 150 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 150 I C 2.299 178.315 176.117 -0.168 0.000 1.117 150 I CA 1.808 63.046 61.300 -0.103 0.000 1.404 150 I CB -1.201 36.739 38.000 -0.100 0.000 1.071 150 I HN 0.413 nan 8.210 nan 0.000 0.419 151 D N 0.821 121.124 120.400 -0.160 0.000 2.117 151 D HA -0.253 4.387 4.640 -0.001 0.000 0.197 151 D C 2.103 178.244 176.300 -0.265 0.000 0.987 151 D CA 1.218 55.135 54.000 -0.139 0.000 0.829 151 D CB 0.225 40.967 40.800 -0.096 0.000 0.961 151 D HN 0.167 nan 8.370 nan 0.000 0.460 152 E N 0.040 120.016 120.200 -0.374 0.000 2.051 152 E HA -0.126 4.224 4.350 -0.001 0.000 0.192 152 E C 1.879 178.165 176.600 -0.523 0.000 0.991 152 E CA 1.507 57.648 56.400 -0.432 0.000 0.799 152 E CB -0.578 28.867 29.700 -0.425 0.000 0.748 152 E HN 0.304 nan 8.360 nan 0.000 0.449 153 A N 0.492 123.069 122.820 -0.405 0.000 1.883 153 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 153 A C 2.387 179.751 177.584 -0.368 0.000 1.186 153 A CA 1.747 53.597 52.037 -0.312 0.000 0.624 153 A CB -0.801 18.175 19.000 -0.041 0.000 0.822 153 A HN 0.361 nan 8.150 nan 0.000 0.444 154 I N -1.329 118.966 120.570 -0.458 0.000 2.179 154 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 154 I C 2.814 178.566 176.117 -0.608 0.000 1.088 154 I CA 1.376 62.275 61.300 -0.669 0.000 1.357 154 I CB -0.355 37.010 38.000 -1.059 0.000 1.051 154 I HN 0.285 nan 8.210 nan 0.000 0.409 155 R N 0.509 120.723 120.500 -0.477 0.000 2.081 155 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 155 R C 2.510 178.674 176.300 -0.226 0.000 1.131 155 R CA 1.419 57.389 56.100 -0.218 0.000 0.960 155 R CB -0.151 30.104 30.300 -0.076 0.000 0.856 155 R HN 0.345 nan 8.270 nan 0.000 0.436 156 R N -0.338 119.950 120.500 -0.353 0.000 2.075 156 R HA -0.036 4.304 4.340 -0.001 0.000 0.232 156 R C 2.288 178.370 176.300 -0.364 0.000 1.126 156 R CA 1.184 57.015 56.100 -0.447 0.000 0.963 156 R CB -0.270 29.795 30.300 -0.391 0.000 0.858 156 R HN 0.185 nan 8.270 nan 0.000 0.435 157 A N 0.513 123.169 122.820 -0.274 0.000 1.902 157 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 157 A C 1.793 179.268 177.584 -0.182 0.000 1.181 157 A CA 1.224 53.129 52.037 -0.220 0.000 0.623 157 A CB -0.634 18.180 19.000 -0.310 0.000 0.818 157 A HN 0.265 nan 8.150 nan 0.000 0.443 158 Y N -0.231 119.950 120.300 -0.199 0.000 2.163 158 Y HA -0.048 4.502 4.550 -0.001 0.000 0.288 158 Y C 2.935 178.812 175.900 -0.037 0.000 1.136 158 Y CA 0.839 58.886 58.100 -0.087 0.000 1.147 158 Y CB -0.669 37.762 38.460 -0.048 0.000 0.987 158 Y HN 0.317 nan 8.280 nan 0.000 0.509 159 A N -1.016 121.821 122.820 0.028 0.000 1.969 159 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 159 A C 1.385 178.966 177.584 -0.006 0.000 1.169 159 A CA 1.730 53.737 52.037 -0.051 0.000 0.635 159 A CB -0.909 17.952 19.000 -0.232 0.000 0.810 159 A HN 0.683 nan 8.150 nan 0.000 0.445 160 H N -1.399 117.702 119.070 0.052 0.000 2.586 160 H HA 0.157 4.712 4.556 -0.001 0.000 0.273 160 H C -0.257 175.095 175.328 0.040 0.000 0.997 160 H CA -0.253 55.816 56.048 0.034 0.000 1.177 160 H CB 0.363 30.134 29.762 0.015 0.000 1.471 160 H HN 0.282 nan 8.280 nan 0.000 0.538 161 Q N 0.722 120.599 119.800 0.129 0.000 2.443 161 Q HA -0.150 4.190 4.340 -0.001 0.000 0.337 161 Q C 0.283 176.337 176.000 0.090 0.000 1.401 161 Q CA 1.063 56.935 55.803 0.114 0.000 0.943 161 Q CB -1.482 27.347 28.738 0.152 0.000 1.177 161 Q HN 0.819 nan 8.270 nan 0.000 0.394 162 G N -2.110 106.711 108.800 0.034 0.000 2.731 162 G HA2 0.586 4.546 3.960 -0.001 0.000 0.309 162 G HA3 0.586 4.546 3.960 -0.001 0.000 0.309 162 G C -1.098 173.771 174.900 -0.052 0.000 1.273 162 G CA -0.331 44.772 45.100 0.004 0.000 0.798 162 G HN 0.085 nan 8.290 nan 0.000 0.509 163 V N 0.801 120.678 119.914 -0.061 0.000 2.439 163 V HA 0.655 4.775 4.120 -0.001 0.000 0.282 163 V C 0.485 176.551 176.094 -0.047 0.000 1.039 163 V CA -0.148 62.101 62.300 -0.086 0.000 0.913 163 V CB 0.917 32.666 31.823 -0.123 0.000 0.983 163 V HN 1.144 nan 8.190 nan 0.000 0.460 164 A N 4.997 127.782 122.820 -0.058 0.000 2.331 164 A HA 0.852 5.172 4.320 -0.001 0.000 0.320 164 A C -0.890 176.666 177.584 -0.045 0.000 1.138 164 A CA -0.516 51.528 52.037 0.011 0.000 0.790 164 A CB 1.534 20.541 19.000 0.012 0.000 1.206 164 A HN 0.638 nan 8.150 nan 0.000 0.470 165 V N 2.898 122.773 119.914 -0.065 0.000 2.487 165 V HA 0.523 4.643 4.120 -0.001 0.000 0.298 165 V C -0.592 175.396 176.094 -0.177 0.000 1.028 165 V CA -0.488 61.709 62.300 -0.171 0.000 0.860 165 V CB 1.718 33.385 31.823 -0.259 0.000 0.991 165 V HN 0.676 nan 8.190 nan 0.000 0.427 166 V N 4.581 124.392 119.914 -0.172 0.000 2.487 166 V HA 0.470 4.589 4.120 -0.001 0.000 0.298 166 V C -0.553 175.444 176.094 -0.162 0.000 1.028 166 V CA -0.771 61.439 62.300 -0.150 0.000 0.860 166 V CB 1.835 33.602 31.823 -0.093 0.000 0.991 166 V HN 0.937 nan 8.190 nan 0.000 0.427 167 Q N 4.279 123.996 119.800 -0.139 0.000 2.303 167 Q HA 0.651 4.990 4.340 -0.001 0.000 0.257 167 Q C -0.840 175.110 176.000 -0.084 0.000 0.941 167 Q CA 0.099 55.837 55.803 -0.107 0.000 0.931 167 Q CB 1.953 30.654 28.738 -0.061 0.000 1.215 167 Q HN 0.686 nan 8.270 nan 0.000 0.437 168 I N 4.725 125.240 120.570 -0.090 0.000 2.390 168 I HA 0.328 4.498 4.170 -0.001 0.000 0.283 168 I C -2.280 173.785 176.117 -0.086 0.000 1.016 168 I CA -2.566 58.676 61.300 -0.098 0.000 1.151 168 I CB 1.679 39.595 38.000 -0.140 0.000 1.293 168 I HN 0.337 nan 8.210 nan 0.000 0.458 169 P HA -0.070 nan 4.420 nan 0.000 0.261 169 P C 0.928 178.172 177.300 -0.092 0.000 1.183 169 P CA 0.196 63.274 63.100 -0.037 0.000 0.761 169 P CB 0.928 32.628 31.700 -0.000 0.000 0.785 170 V N 3.540 123.379 119.914 -0.126 0.000 2.720 170 V HA -0.217 3.903 4.120 -0.001 0.000 0.256 170 V C 1.543 177.530 176.094 -0.178 0.000 1.082 170 V CA 2.445 64.617 62.300 -0.212 0.000 1.101 170 V CB -0.866 30.823 31.823 -0.223 0.000 0.693 170 V HN 0.619 nan 8.190 nan 0.000 0.479 171 D N -0.565 119.807 120.400 -0.046 0.000 2.224 171 D HA -0.173 4.467 4.640 -0.001 0.000 0.205 171 D C 1.984 178.305 176.300 0.036 0.000 0.965 171 D CA 1.158 55.200 54.000 0.071 0.000 0.852 171 D CB -0.484 40.358 40.800 0.070 0.000 0.947 171 D HN 0.501 nan 8.370 nan 0.000 0.494 172 L N 0.287 121.488 121.223 -0.036 0.000 2.056 172 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 172 L C -0.349 176.478 176.870 -0.073 0.000 1.078 172 L CA 1.114 55.932 54.840 -0.037 0.000 0.749 172 L CB -1.662 40.367 42.059 -0.050 0.000 0.901 172 L HN 0.068 nan 8.230 nan 0.000 0.433 173 P HA -0.154 nan 4.420 nan 0.000 0.226 173 P C 0.975 178.185 177.300 -0.150 0.000 1.153 173 P CA 1.059 64.022 63.100 -0.229 0.000 0.777 173 P CB -0.025 31.446 31.700 -0.382 0.000 0.794 174 W N -0.053 121.200 121.300 -0.080 0.000 3.290 174 W HA 0.225 4.884 4.660 -0.001 0.000 0.287 174 W C 0.365 176.852 176.519 -0.053 0.000 1.288 174 W CA 0.103 57.407 57.345 -0.069 0.000 1.725 174 W CB -0.539 28.881 29.460 -0.067 0.000 1.103 174 W HN 0.122 nan 8.180 nan 0.000 0.670 175 Q N 0.946 120.824 119.800 0.129 0.000 2.293 175 Q HA 0.132 4.472 4.340 -0.001 0.000 0.251 175 Q C 0.470 176.500 176.000 0.051 0.000 0.930 175 Q CA -0.164 55.686 55.803 0.078 0.000 0.893 175 Q CB 1.208 29.977 28.738 0.051 0.000 1.215 175 Q HN -0.064 nan 8.270 nan 0.000 0.425 176 Q N 2.416 122.244 119.800 0.045 0.000 2.332 176 Q HA 0.330 4.669 4.340 -0.001 0.000 0.263 176 Q C -0.114 175.910 176.000 0.039 0.000 0.979 176 Q CA 0.263 56.089 55.803 0.038 0.000 0.885 176 Q CB 0.707 29.467 28.738 0.037 0.000 1.218 176 Q HN 0.558 nan 8.270 nan 0.000 0.405 177 I N -2.342 118.256 120.570 0.046 0.000 3.174 177 I HA 0.515 4.685 4.170 -0.001 0.000 0.313 177 I C -0.454 175.724 176.117 0.101 0.000 1.155 177 I CA -1.157 60.184 61.300 0.069 0.000 0.977 177 I CB 2.111 40.154 38.000 0.071 0.000 1.248 177 I HN 0.227 nan 8.210 nan 0.000 0.453 178 S N 1.455 117.227 115.700 0.121 0.000 2.580 178 S HA 0.384 4.854 4.470 -0.001 0.000 0.274 178 S C 1.145 175.876 174.600 0.219 0.000 1.329 178 S CA -0.093 58.185 58.200 0.131 0.000 1.036 178 S CB 1.584 64.842 63.200 0.096 0.000 0.919 178 S HN 0.837 nan 8.310 nan 0.000 0.515 179 A N 1.169 124.106 122.820 0.196 0.000 2.178 179 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 179 A C 1.309 178.925 177.584 0.054 0.000 1.157 179 A CA 1.130 53.313 52.037 0.244 0.000 0.689 179 A CB -0.170 18.920 19.000 0.150 0.000 0.787 179 A HN 0.652 nan 8.150 nan 0.000 0.465 180 E N -0.128 120.099 120.200 0.044 0.000 2.685 180 E HA 0.081 4.430 4.350 -0.001 0.000 0.208 180 E C -0.261 176.381 176.600 0.070 0.000 0.996 180 E CA -0.109 56.271 56.400 -0.033 0.000 1.054 180 E CB 0.072 29.743 29.700 -0.048 0.000 1.075 180 E HN 0.416 nan 8.360 nan 0.000 0.460 181 D N 0.281 120.797 120.400 0.193 0.000 2.363 181 D HA -0.034 4.605 4.640 -0.001 0.000 0.220 181 D C 0.379 176.874 176.300 0.325 0.000 0.994 181 D CA 0.396 54.528 54.000 0.220 0.000 0.890 181 D CB 0.322 41.250 40.800 0.213 0.000 0.906 181 D HN 0.327 nan 8.370 nan 0.000 0.530 182 W N 0.953 122.325 121.300 0.120 0.000 3.107 182 W HA 0.464 5.124 4.660 -0.001 0.000 0.331 182 W C -1.712 174.941 176.519 0.223 0.000 1.204 182 W CA -1.147 56.272 57.345 0.123 0.000 1.184 182 W CB 0.278 29.770 29.460 0.052 0.000 1.421 182 W HN -0.162 nan 8.180 nan 0.000 0.544 183 Y N 0.007 120.377 120.300 0.117 0.000 2.689 183 Y HA 0.815 5.365 4.550 -0.001 0.000 0.333 183 Y C -1.501 174.533 175.900 0.223 0.000 1.208 183 Y CA -1.758 56.294 58.100 -0.080 0.000 1.055 183 Y CB 0.591 38.981 38.460 -0.115 0.000 1.304 183 Y HN 0.764 nan 8.280 nan 0.000 0.455 184 A N 0.618 123.529 122.820 0.152 0.000 2.340 184 A HA 0.609 4.929 4.320 -0.001 0.000 0.331 184 A C 0.103 177.756 177.584 0.115 0.000 1.140 184 A CA -0.338 51.765 52.037 0.110 0.000 0.801 184 A CB 0.842 19.910 19.000 0.114 0.000 1.234 184 A HN 1.292 nan 8.150 nan 0.000 0.469 185 S N 0.906 116.677 115.700 0.117 0.000 2.583 185 S HA 0.344 4.814 4.470 -0.001 0.000 0.239 185 S C 1.235 175.667 174.600 -0.279 0.000 0.966 185 S CA 0.414 58.677 58.200 0.105 0.000 0.973 185 S CB 0.097 63.462 63.200 0.275 0.000 0.794 185 S HN 1.235 nan 8.310 nan 0.000 0.463 186 A N 3.917 126.208 122.820 -0.881 0.000 1.940 186 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 186 A C 2.245 179.427 177.584 -0.669 0.000 1.176 186 A CA 1.657 52.720 52.037 -1.622 0.000 0.631 186 A CB -0.841 17.264 19.000 -1.491 0.000 0.814 186 A HN 0.809 nan 8.150 nan 0.000 0.446 187 N N 0.213 118.697 118.700 -0.361 0.000 2.453 187 N HA -0.145 4.595 4.740 -0.001 0.000 0.183 187 N C 0.783 176.229 175.510 -0.106 0.000 1.041 187 N CA 1.561 54.503 53.050 -0.180 0.000 0.900 187 N CB -0.759 37.655 38.487 -0.121 0.000 0.961 187 N HN 0.685 nan 8.380 nan 0.000 0.443 188 N N -1.182 117.469 118.700 -0.082 0.000 2.299 188 N HA -0.020 4.720 4.740 -0.001 0.000 0.187 188 N C -0.455 175.065 175.510 0.017 0.000 1.099 188 N CA -0.367 52.674 53.050 -0.015 0.000 0.867 188 N CB 0.015 38.520 38.487 0.030 0.000 0.974 188 N HN 0.195 nan 8.380 nan 0.000 0.477 189 Y N 3.421 123.653 120.300 -0.114 0.000 2.526 189 Y HA 0.017 4.567 4.550 -0.001 0.000 0.330 189 Y C 0.048 175.907 175.900 -0.069 0.000 1.156 189 Y CA -0.066 58.000 58.100 -0.056 0.000 1.419 189 Y CB 0.180 38.606 38.460 -0.055 0.000 1.250 189 Y HN 0.100 nan 8.280 nan 0.000 0.540 190 Q N 2.581 121.981 119.800 -0.667 0.000 2.575 190 Q HA 0.419 4.759 4.340 -0.001 0.000 0.290 190 Q C -1.562 174.128 176.000 -0.517 0.000 0.963 190 Q CA -1.163 54.364 55.803 -0.460 0.000 0.783 190 Q CB 1.422 30.030 28.738 -0.216 0.000 1.467 190 Q HN 0.501 nan 8.270 nan 0.000 0.402 191 T N 3.241 117.613 114.554 -0.303 0.000 2.845 191 T HA 0.425 4.775 4.350 -0.001 0.000 0.288 191 T C -2.152 172.466 174.700 -0.136 0.000 0.980 191 T CA -0.842 61.135 62.100 -0.206 0.000 1.071 191 T CB 0.656 69.451 68.868 -0.121 0.000 0.941 191 T HN 0.421 nan 8.240 nan 0.000 0.487 192 P HA 0.156 nan 4.420 nan 0.000 0.268 192 P C -0.846 176.426 177.300 -0.048 0.000 1.204 192 P CA -0.235 62.825 63.100 -0.066 0.000 0.768 192 P CB 0.543 32.214 31.700 -0.049 0.000 0.842 193 L N 3.691 124.890 121.223 -0.040 0.000 2.295 193 L HA 0.289 4.628 4.340 -0.001 0.000 0.288 193 L C 0.728 177.585 176.870 -0.023 0.000 1.079 193 L CA -0.556 54.266 54.840 -0.029 0.000 0.830 193 L CB 0.045 42.088 42.059 -0.027 0.000 1.200 193 L HN 0.247 nan 8.230 nan 0.000 0.438 194 L N 5.364 126.575 121.223 -0.019 0.000 2.375 194 L HA 0.413 4.752 4.340 -0.001 0.000 0.271 194 L C -1.497 175.366 176.870 -0.012 0.000 1.107 194 L CA -1.820 53.012 54.840 -0.014 0.000 0.806 194 L CB 0.651 42.703 42.059 -0.012 0.000 1.146 194 L HN 0.440 nan 8.230 nan 0.000 0.447 195 P HA 0.046 nan 4.420 nan 0.000 0.270 195 P C -0.693 176.602 177.300 -0.008 0.000 1.223 195 P CA -0.404 62.691 63.100 -0.008 0.000 0.785 195 P CB 0.622 32.318 31.700 -0.006 0.000 0.923 196 E N 1.769 121.964 120.200 -0.008 0.000 2.390 196 E HA 0.169 4.518 4.350 -0.001 0.000 0.261 196 E C -1.737 174.859 176.600 -0.007 0.000 1.076 196 E CA -1.501 54.894 56.400 -0.009 0.000 0.905 196 E CB -0.492 29.202 29.700 -0.009 0.000 0.984 196 E HN 0.407 nan 8.360 nan 0.000 0.427 197 P HA 0.008 nan 4.420 nan 0.000 0.268 197 P C -0.619 176.677 177.300 -0.006 0.000 1.205 197 P CA -0.348 62.748 63.100 -0.006 0.000 0.771 197 P CB 0.386 32.083 31.700 -0.006 0.000 0.858 198 D N 2.088 122.485 120.400 -0.004 0.000 2.450 198 D HA -0.077 4.562 4.640 -0.001 0.000 0.247 198 D C 1.263 177.559 176.300 -0.007 0.000 1.162 198 D CA -0.335 53.662 54.000 -0.005 0.000 0.879 198 D CB 0.942 41.740 40.800 -0.003 0.000 1.163 198 D HN 0.069 nan 8.370 nan 0.000 0.472 199 V N 2.499 122.409 119.914 -0.008 0.000 2.568 199 V HA -0.304 3.816 4.120 -0.001 0.000 0.253 199 V C 2.096 178.184 176.094 -0.010 0.000 1.072 199 V CA 1.909 64.203 62.300 -0.009 0.000 1.084 199 V CB -0.323 31.494 31.823 -0.009 0.000 0.676 199 V HN 0.525 nan 8.190 nan 0.000 0.469 200 Q N -0.465 119.329 119.800 -0.009 0.000 2.123 200 Q HA -0.032 4.308 4.340 -0.001 0.000 0.199 200 Q C 2.351 178.345 176.000 -0.011 0.000 0.966 200 Q CA 1.475 57.271 55.803 -0.010 0.000 0.845 200 Q CB -0.280 28.453 28.738 -0.009 0.000 0.907 200 Q HN 0.747 nan 8.270 nan 0.000 0.439 201 A N 0.318 123.132 122.820 -0.008 0.000 1.929 201 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 201 A C 2.281 179.859 177.584 -0.010 0.000 1.176 201 A CA 0.830 52.862 52.037 -0.008 0.000 0.628 201 A CB -0.432 18.567 19.000 -0.003 0.000 0.816 201 A HN 0.176 nan 8.150 nan 0.000 0.444 202 V N -0.151 119.756 119.914 -0.010 0.000 2.343 202 V HA -0.216 3.903 4.120 -0.001 0.000 0.247 202 V C 2.737 178.821 176.094 -0.016 0.000 1.051 202 V CA 2.481 64.774 62.300 -0.012 0.000 1.036 202 V CB -1.138 30.678 31.823 -0.011 0.000 0.654 202 V HN 0.597 nan 8.190 nan 0.000 0.451 203 T N -0.672 113.872 114.554 -0.017 0.000 2.777 203 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 203 T C 2.092 176.776 174.700 -0.025 0.000 1.040 203 T CA 1.372 63.460 62.100 -0.020 0.000 1.141 203 T CB -0.213 68.644 68.868 -0.018 0.000 0.868 203 T HN 0.364 nan 8.240 nan 0.000 0.444 204 R N 0.101 120.585 120.500 -0.027 0.000 2.073 204 R HA -0.018 4.322 4.340 -0.001 0.000 0.234 204 R C 2.356 178.630 176.300 -0.043 0.000 1.134 204 R CA 1.053 57.131 56.100 -0.037 0.000 0.952 204 R CB -0.541 29.739 30.300 -0.033 0.000 0.850 204 R HN 0.212 nan 8.270 nan 0.000 0.433 205 L N 0.315 121.519 121.223 -0.032 0.000 2.017 205 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 205 L C 2.051 178.904 176.870 -0.029 0.000 1.073 205 L CA 1.910 56.733 54.840 -0.029 0.000 0.745 205 L CB -0.568 41.480 42.059 -0.017 0.000 0.894 205 L HN 0.154 nan 8.230 nan 0.000 0.432 206 T N -1.063 113.476 114.554 -0.024 0.000 2.708 206 T HA -0.195 4.155 4.350 -0.001 0.000 0.266 206 T C 1.827 176.510 174.700 -0.028 0.000 1.037 206 T CA 1.370 63.457 62.100 -0.022 0.000 1.146 206 T CB -0.177 68.680 68.868 -0.020 0.000 0.865 206 T HN 0.351 nan 8.240 nan 0.000 0.435 207 Q N 0.778 120.556 119.800 -0.037 0.000 2.084 207 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 207 Q C 2.581 178.546 176.000 -0.058 0.000 0.978 207 Q CA 1.474 57.252 55.803 -0.043 0.000 0.844 207 Q CB -1.090 27.619 28.738 -0.048 0.000 0.898 207 Q HN 0.516 nan 8.270 nan 0.000 0.426 208 T N 1.693 116.200 114.554 -0.078 0.000 2.821 208 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 208 T C 1.863 176.532 174.700 -0.052 0.000 1.046 208 T CA 0.725 62.758 62.100 -0.111 0.000 1.139 208 T CB -0.197 68.574 68.868 -0.163 0.000 0.871 208 T HN 0.071 nan 8.240 nan 0.000 0.454 209 L N 0.815 122.022 121.223 -0.026 0.000 2.109 209 L HA 0.170 4.509 4.340 -0.001 0.000 0.207 209 L C 2.042 178.914 176.870 0.003 0.000 1.086 209 L CA 1.402 56.243 54.840 0.002 0.000 0.760 209 L CB -0.585 41.479 42.059 0.007 0.000 0.910 209 L HN 0.232 nan 8.230 nan 0.000 0.437 210 L N -0.874 120.343 121.223 -0.010 0.000 2.141 210 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 210 L C 2.514 179.380 176.870 -0.007 0.000 1.094 210 L CA 0.980 55.814 54.840 -0.009 0.000 0.763 210 L CB -0.795 41.254 42.059 -0.016 0.000 0.908 210 L HN 0.321 nan 8.230 nan 0.000 0.437 211 A N 0.223 123.036 122.820 -0.011 0.000 2.119 211 A HA 0.190 4.510 4.320 -0.001 0.000 0.217 211 A C 1.435 179.025 177.584 0.011 0.000 1.153 211 A CA 0.616 52.651 52.037 -0.004 0.000 0.692 211 A CB -0.498 18.493 19.000 -0.015 0.000 0.799 211 A HN 0.297 nan 8.150 nan 0.000 0.458 212 A N -0.000 122.829 122.820 0.015 0.000 2.531 212 A HA 0.220 4.539 4.320 -0.001 0.000 0.236 212 A C 1.000 178.564 177.584 -0.035 0.000 1.062 212 A CA 0.533 52.575 52.037 0.008 0.000 0.760 212 A CB 0.151 19.159 19.000 0.012 0.000 0.995 212 A HN 0.553 nan 8.150 nan 0.000 0.501 213 E N 1.098 121.247 120.200 -0.084 0.000 2.216 213 E HA 0.026 4.376 4.350 -0.001 0.000 0.192 213 E C 0.376 176.796 176.600 -0.300 0.000 0.973 213 E CA 0.397 56.726 56.400 -0.118 0.000 0.851 213 E CB 0.152 29.796 29.700 -0.095 0.000 0.804 213 E HN 0.704 nan 8.360 nan 0.000 0.477 214 R N 1.509 121.691 120.500 -0.530 0.000 2.782 214 R HA 0.273 4.613 4.340 -0.001 0.000 0.293 214 R C -2.530 173.337 176.300 -0.721 0.000 1.333 214 R CA -1.533 53.769 56.100 -1.331 0.000 1.479 214 R CB 1.434 30.803 30.300 -1.551 0.000 1.306 214 R HN 0.140 nan 8.270 nan 0.000 0.654 215 P HA 0.123 nan 4.420 nan 0.000 0.272 215 P C -0.528 176.968 177.300 0.326 0.000 1.230 215 P CA 0.018 63.172 63.100 0.088 0.000 0.788 215 P CB 1.457 33.221 31.700 0.107 0.000 0.949 216 L N 1.897 123.273 121.223 0.254 0.000 2.422 216 L HA 0.516 4.856 4.340 -0.001 0.000 0.264 216 L C 0.012 177.021 176.870 0.232 0.000 0.984 216 L CA -0.981 54.027 54.840 0.279 0.000 0.819 216 L CB 2.264 44.473 42.059 0.250 0.000 1.330 216 L HN 0.263 nan 8.230 nan 0.000 0.410 217 I N 2.638 123.360 120.570 0.254 0.000 2.354 217 I HA 0.273 4.442 4.170 -0.001 0.000 0.292 217 I C -1.313 175.022 176.117 0.363 0.000 0.989 217 I CA -0.547 60.917 61.300 0.273 0.000 1.188 217 I CB 1.456 39.611 38.000 0.258 0.000 1.342 217 I HN 0.392 nan 8.210 nan 0.000 0.457 218 Y N 9.343 129.751 120.300 0.180 0.000 2.447 218 Y HA 0.392 4.942 4.550 -0.001 0.000 0.325 218 Y C -1.162 174.766 175.900 0.045 0.000 0.976 218 Y CA -1.738 56.422 58.100 0.100 0.000 1.280 218 Y CB 0.509 39.087 38.460 0.197 0.000 1.104 218 Y HN 0.459 nan 8.280 nan 0.000 0.486 219 Y N 2.886 123.304 120.300 0.196 0.000 2.528 219 Y HA 0.974 5.524 4.550 -0.001 0.000 0.335 219 Y C 0.118 175.998 175.900 -0.032 0.000 1.093 219 Y CA -1.203 56.893 58.100 -0.008 0.000 1.134 219 Y CB 1.214 39.696 38.460 0.037 0.000 1.253 219 Y HN 0.577 nan 8.280 nan 0.000 0.478 220 G N 0.805 109.619 108.800 0.024 0.000 3.075 220 G HA2 0.389 4.348 3.960 -0.001 0.000 0.253 220 G HA3 0.389 4.348 3.960 -0.001 0.000 0.253 220 G C 0.318 175.293 174.900 0.126 0.000 1.353 220 G CA -0.765 44.346 45.100 0.018 0.000 1.051 220 G HN 1.098 nan 8.290 nan 0.000 0.553 221 I N -1.695 118.929 120.570 0.089 0.000 2.916 221 I HA 0.114 4.284 4.170 -0.001 0.000 0.267 221 I C 2.030 178.190 176.117 0.072 0.000 1.263 221 I CA 1.002 62.355 61.300 0.089 0.000 1.471 221 I CB -0.253 37.787 38.000 0.068 0.000 1.089 221 I HN 0.412 nan 8.210 nan 0.000 0.468 222 G N 1.319 110.148 108.800 0.049 0.000 2.498 222 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.219 222 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.219 222 G C 1.387 176.299 174.900 0.020 0.000 1.119 222 G CA 0.561 45.676 45.100 0.025 0.000 0.766 222 G HN 0.611 nan 8.290 nan 0.000 0.552 223 A N -0.211 122.631 122.820 0.037 0.000 2.462 223 A HA 0.437 4.757 4.320 -0.001 0.000 0.261 223 A C 1.866 179.440 177.584 -0.018 0.000 1.323 223 A CA -0.002 52.033 52.037 -0.002 0.000 0.913 223 A CB -0.249 18.738 19.000 -0.021 0.000 1.028 223 A HN 0.292 nan 8.150 nan 0.000 0.511 224 R N 0.601 121.111 120.500 0.017 0.000 2.127 224 R HA -0.089 4.250 4.340 -0.001 0.000 0.238 224 R C 1.133 177.427 176.300 -0.011 0.000 1.134 224 R CA 1.432 57.540 56.100 0.015 0.000 0.975 224 R CB -0.023 30.298 30.300 0.035 0.000 0.865 224 R HN 0.381 nan 8.270 nan 0.000 0.447 225 K N -0.946 119.445 120.400 -0.015 0.000 2.444 225 K HA 0.086 4.406 4.320 -0.001 0.000 0.193 225 K C 0.493 177.065 176.600 -0.047 0.000 1.024 225 K CA 0.455 56.729 56.287 -0.022 0.000 1.077 225 K CB 1.007 33.500 32.500 -0.011 0.000 0.833 225 K HN 0.090 nan 8.250 nan 0.000 0.517 226 A N 0.658 123.432 122.820 -0.077 0.000 2.630 226 A HA 0.288 4.607 4.320 -0.001 0.000 0.290 226 A C 1.599 179.088 177.584 -0.158 0.000 1.267 226 A CA -0.083 51.891 52.037 -0.105 0.000 0.950 226 A CB -0.021 18.915 19.000 -0.108 0.000 1.144 226 A HN 0.266 nan 8.150 nan 0.000 0.527 227 G N 0.850 109.561 108.800 -0.148 0.000 2.446 227 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 227 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 227 G C 1.575 176.373 174.900 -0.169 0.000 1.168 227 G CA 1.185 46.177 45.100 -0.179 0.000 0.771 227 G HN 0.537 nan 8.290 nan 0.000 0.551 228 K N 0.156 120.484 120.400 -0.120 0.000 2.026 228 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 228 K C 2.548 179.081 176.600 -0.112 0.000 1.048 228 K CA 1.558 57.781 56.287 -0.105 0.000 0.929 228 K CB -0.105 32.353 32.500 -0.071 0.000 0.713 228 K HN 0.241 nan 8.250 nan 0.000 0.439 229 E N 0.895 121.032 120.200 -0.105 0.000 2.107 229 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 229 E C 1.925 178.457 176.600 -0.113 0.000 0.982 229 E CA 0.682 57.026 56.400 -0.092 0.000 0.809 229 E CB -0.088 29.566 29.700 -0.077 0.000 0.756 229 E HN 0.174 nan 8.360 nan 0.000 0.459 230 L N 0.583 121.706 121.223 -0.168 0.000 2.017 230 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 230 L C 2.584 179.354 176.870 -0.168 0.000 1.073 230 L CA 1.557 56.282 54.840 -0.193 0.000 0.745 230 L CB -0.316 41.514 42.059 -0.382 0.000 0.894 230 L HN 0.182 nan 8.230 nan 0.000 0.432 231 E N -0.251 119.804 120.200 -0.242 0.000 2.047 231 E HA -0.268 4.081 4.350 -0.001 0.000 0.191 231 E C 2.246 178.737 176.600 -0.182 0.000 0.987 231 E CA 1.221 57.411 56.400 -0.350 0.000 0.799 231 E CB 0.059 29.516 29.700 -0.406 0.000 0.752 231 E HN 0.451 nan 8.360 nan 0.000 0.449 232 Q N -0.096 119.635 119.800 -0.116 0.000 2.084 232 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 232 Q C 2.203 178.180 176.000 -0.039 0.000 0.978 232 Q CA 1.003 56.770 55.803 -0.059 0.000 0.844 232 Q CB -0.011 28.695 28.738 -0.053 0.000 0.898 232 Q HN 0.233 nan 8.270 nan 0.000 0.426 233 L N -0.073 121.125 121.223 -0.041 0.000 2.056 233 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 233 L C 2.317 179.188 176.870 0.001 0.000 1.078 233 L CA 1.815 56.642 54.840 -0.021 0.000 0.749 233 L CB -0.889 41.160 42.059 -0.017 0.000 0.901 233 L HN 0.116 nan 8.230 nan 0.000 0.433 234 S N -0.147 115.579 115.700 0.043 0.000 2.353 234 S HA -0.248 4.221 4.470 -0.001 0.000 0.222 234 S C 1.979 176.626 174.600 0.079 0.000 1.035 234 S CA 1.872 60.161 58.200 0.148 0.000 1.025 234 S CB -0.254 63.111 63.200 0.275 0.000 0.902 234 S HN 0.662 nan 8.310 nan 0.000 0.440 235 K N -0.419 120.045 120.400 0.107 0.000 2.296 235 K HA 0.055 4.374 4.320 -0.001 0.000 0.200 235 K C 2.001 178.507 176.600 -0.156 0.000 1.048 235 K CA 1.323 57.614 56.287 0.006 0.000 0.966 235 K CB -0.687 31.924 32.500 0.184 0.000 0.754 235 K HN 0.263 nan 8.250 nan 0.000 0.466 236 T N 2.402 116.895 114.554 -0.102 0.000 2.701 236 T HA 0.004 4.354 4.350 -0.001 0.000 0.263 236 T C 1.700 176.305 174.700 -0.160 0.000 1.040 236 T CA 1.025 63.059 62.100 -0.109 0.000 1.147 236 T CB -0.097 68.733 68.868 -0.063 0.000 0.865 236 T HN 0.140 nan 8.240 nan 0.000 0.426 237 L N 0.308 121.443 121.223 -0.146 0.000 2.591 237 L HA 0.166 4.505 4.340 -0.001 0.000 0.228 237 L C 0.136 176.863 176.870 -0.238 0.000 1.133 237 L CA 0.065 54.821 54.840 -0.141 0.000 0.880 237 L CB -0.133 41.891 42.059 -0.059 0.000 1.033 237 L HN 0.153 nan 8.230 nan 0.000 0.450 238 K N 0.930 121.025 120.400 -0.507 0.000 3.239 238 K HA -0.134 4.185 4.320 -0.001 0.000 0.270 238 K C -0.586 175.899 176.600 -0.191 0.000 1.049 238 K CA 0.793 56.471 56.287 -1.015 0.000 0.769 238 K CB -2.233 29.715 32.500 -0.920 0.000 1.305 238 K HN 0.332 nan 8.250 nan 0.000 0.469 239 I N 1.347 121.956 120.570 0.065 0.000 2.382 239 I HA 0.204 4.373 4.170 -0.001 0.000 0.286 239 I C -2.015 174.388 176.117 0.477 0.000 1.002 239 I CA -2.423 59.070 61.300 0.321 0.000 1.135 239 I CB 1.709 39.835 38.000 0.210 0.000 1.288 239 I HN -0.152 nan 8.210 nan 0.000 0.448 240 P HA 0.111 nan 4.420 nan 0.000 0.267 240 P C -0.883 176.587 177.300 0.283 0.000 1.201 240 P CA 0.071 63.336 63.100 0.275 0.000 0.775 240 P CB 0.559 32.254 31.700 -0.009 0.000 0.854 241 L N 2.645 124.047 121.223 0.298 0.000 2.334 241 L HA 0.654 4.994 4.340 -0.001 0.000 0.276 241 L C 0.394 177.376 176.870 0.187 0.000 1.014 241 L CA -0.667 54.394 54.840 0.368 0.000 0.815 241 L CB 1.210 43.617 42.059 0.580 0.000 1.268 241 L HN 0.401 nan 8.230 nan 0.000 0.428 242 M N 1.136 120.782 119.600 0.076 0.000 2.575 242 M HA 0.813 5.293 4.480 -0.001 0.000 0.284 242 M C -0.872 175.279 176.300 -0.249 0.000 1.253 242 M CA -0.482 54.703 55.300 -0.192 0.000 0.861 242 M CB 2.462 34.837 32.600 -0.376 0.000 1.733 242 M HN 0.499 nan 8.290 nan 0.000 0.462 243 S N -0.426 115.139 115.700 -0.224 0.000 2.697 243 S HA 0.793 5.263 4.470 -0.001 0.000 0.289 243 S C -0.206 174.451 174.600 0.095 0.000 1.149 243 S CA -0.240 57.786 58.200 -0.290 0.000 0.850 243 S CB 1.507 64.443 63.200 -0.440 0.000 1.151 243 S HN 0.977 nan 8.310 nan 0.000 0.491 244 T N -0.696 113.914 114.554 0.093 0.000 2.860 244 T HA 0.227 4.577 4.350 -0.001 0.000 0.299 244 T C 0.894 175.743 174.700 0.248 0.000 1.045 244 T CA -0.192 62.036 62.100 0.214 0.000 1.071 244 T CB 0.016 68.994 68.868 0.183 0.000 0.985 244 T HN 0.775 nan 8.240 nan 0.000 0.537 245 Y N 3.179 123.609 120.300 0.217 0.000 2.128 245 Y HA 0.020 4.570 4.550 -0.001 0.000 0.284 245 Y C -0.932 175.122 175.900 0.257 0.000 1.154 245 Y CA 1.283 59.513 58.100 0.216 0.000 1.149 245 Y CB -1.842 36.742 38.460 0.207 0.000 0.976 245 Y HN 0.503 nan 8.280 nan 0.000 0.505 246 P HA -0.074 nan 4.420 nan 0.000 0.222 246 P C 1.039 178.306 177.300 -0.056 0.000 1.147 246 P CA 1.996 64.919 63.100 -0.296 0.000 0.790 246 P CB -0.350 31.222 31.700 -0.215 0.000 0.780 247 A N -0.239 122.626 122.820 0.075 0.000 2.235 247 A HA -0.039 4.280 4.320 -0.001 0.000 0.208 247 A C 1.240 178.962 177.584 0.231 0.000 1.172 247 A CA -0.074 52.062 52.037 0.166 0.000 0.786 247 A CB -1.018 18.090 19.000 0.179 0.000 0.804 247 A HN 0.111 nan 8.150 nan 0.000 0.479 248 K N -0.106 120.441 120.400 0.244 0.000 2.489 248 K HA 0.251 4.571 4.320 -0.001 0.000 0.278 248 K C 1.163 177.838 176.600 0.125 0.000 1.000 248 K CA 0.959 57.355 56.287 0.181 0.000 1.012 248 K CB -0.071 32.517 32.500 0.147 0.000 0.903 248 K HN 0.671 nan 8.250 nan 0.000 0.485 249 G N 3.715 112.496 108.800 -0.032 0.000 2.217 249 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.246 249 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.246 249 G C 0.845 175.745 174.900 0.001 0.000 0.990 249 G CA 0.304 45.391 45.100 -0.021 0.000 0.627 249 G HN 0.656 nan 8.290 nan 0.000 0.522 250 I N 0.363 120.961 120.570 0.046 0.000 2.315 250 I HA 0.011 4.181 4.170 -0.001 0.000 0.248 250 I C 1.037 177.112 176.117 -0.071 0.000 1.117 250 I CA 1.173 62.484 61.300 0.018 0.000 1.404 250 I CB -0.043 38.007 38.000 0.082 0.000 1.071 250 I HN 0.102 nan 8.210 nan 0.000 0.419 251 V N 1.378 121.231 119.914 -0.102 0.000 2.459 251 V HA 0.491 4.610 4.120 -0.001 0.000 0.295 251 V C 0.320 176.301 176.094 -0.189 0.000 1.029 251 V CA -1.162 61.039 62.300 -0.165 0.000 0.874 251 V CB 1.435 33.165 31.823 -0.155 0.000 0.985 251 V HN 0.226 nan 8.190 nan 0.000 0.438 252 A N 2.930 125.685 122.820 -0.109 0.000 2.565 252 A HA 0.068 4.388 4.320 -0.001 0.000 0.237 252 A C 1.181 178.717 177.584 -0.081 0.000 1.053 252 A CA 0.021 52.017 52.037 -0.068 0.000 0.755 252 A CB -0.089 18.909 19.000 -0.003 0.000 0.980 252 A HN 0.926 nan 8.150 nan 0.000 0.506 253 D N 1.520 121.865 120.400 -0.092 0.000 2.221 253 D HA -0.178 4.461 4.640 -0.001 0.000 0.204 253 D C 1.945 178.298 176.300 0.089 0.000 0.982 253 D CA 1.686 55.670 54.000 -0.026 0.000 0.857 253 D CB 0.026 40.832 40.800 0.010 0.000 0.934 253 D HN 0.840 nan 8.370 nan 0.000 0.475 254 R N 0.042 120.582 120.500 0.066 0.000 2.276 254 R HA -0.097 4.243 4.340 -0.001 0.000 0.203 254 R C 0.846 177.211 176.300 0.108 0.000 1.017 254 R CA -0.148 55.993 56.100 0.069 0.000 1.010 254 R CB -0.666 29.661 30.300 0.045 0.000 0.900 254 R HN 0.032 nan 8.270 nan 0.000 0.469 255 Y N 3.391 123.711 120.300 0.034 0.000 2.721 255 Y HA 0.073 4.623 4.550 -0.001 0.000 0.329 255 Y C -1.657 174.284 175.900 0.069 0.000 1.211 255 Y CA -2.324 55.810 58.100 0.056 0.000 1.512 255 Y CB 1.038 39.539 38.460 0.068 0.000 1.249 255 Y HN -0.049 nan 8.280 nan 0.000 0.549 256 P HA -0.107 nan 4.420 nan 0.000 0.219 256 P C 0.069 177.015 177.300 -0.591 0.000 1.146 256 P CA 2.152 64.953 63.100 -0.498 0.000 0.808 256 P CB 0.262 31.698 31.700 -0.440 0.000 0.779 257 A N -2.289 120.001 122.820 -0.882 0.000 2.610 257 A HA 0.150 4.470 4.320 -0.001 0.000 0.286 257 A C -0.270 177.299 177.584 -0.024 0.000 1.306 257 A CA -0.331 51.404 52.037 -0.503 0.000 0.942 257 A CB -1.116 17.591 19.000 -0.488 0.000 1.112 257 A HN 0.063 nan 8.150 nan 0.000 0.527 258 Y N 0.870 121.160 120.300 -0.018 0.000 2.404 258 Y HA 0.432 4.981 4.550 -0.001 0.000 0.344 258 Y C 0.642 176.542 175.900 -0.000 0.000 0.995 258 Y CA -0.963 57.220 58.100 0.140 0.000 1.201 258 Y CB 0.583 39.182 38.460 0.232 0.000 1.151 258 Y HN 0.195 nan 8.280 nan 0.000 0.517 259 L N 5.535 126.434 121.223 -0.540 0.000 2.375 259 L HA 0.296 4.636 4.340 -0.001 0.000 0.215 259 L C 1.314 177.781 176.870 -0.670 0.000 1.108 259 L CA 0.630 55.157 54.840 -0.523 0.000 0.830 259 L CB -0.722 41.101 42.059 -0.393 0.000 0.959 259 L HN 0.988 nan 8.230 nan 0.000 0.457 260 G N 0.211 108.327 108.800 -1.140 0.000 2.447 260 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.220 260 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.220 260 G C -0.417 174.253 174.900 -0.384 0.000 1.261 260 G CA -0.286 44.401 45.100 -0.689 0.000 1.000 260 G HN 0.284 nan 8.290 nan 0.000 0.515 261 S N -0.427 115.184 115.700 -0.148 0.000 2.718 261 S HA 0.940 5.410 4.470 -0.001 0.000 0.300 261 S C 0.393 174.911 174.600 -0.137 0.000 1.117 261 S CA 0.532 58.689 58.200 -0.072 0.000 1.002 261 S CB 1.793 65.070 63.200 0.128 0.000 1.092 261 S HN 2.386 nan 8.310 nan 0.000 0.542 262 A N 0.760 123.507 122.820 -0.121 0.000 2.269 262 A HA 0.773 5.093 4.320 -0.001 0.000 0.327 262 A C 0.706 178.285 177.584 -0.008 0.000 1.112 262 A CA -0.328 51.636 52.037 -0.120 0.000 0.865 262 A CB 0.049 18.935 19.000 -0.190 0.000 1.227 262 A HN 1.177 nan 8.150 nan 0.000 0.498 263 N N -1.122 117.532 118.700 -0.076 0.000 1.801 263 N HA -0.206 4.534 4.740 -0.001 0.000 0.197 263 N C 1.218 176.609 175.510 -0.198 0.000 0.799 263 N CA 1.532 54.479 53.050 -0.173 0.000 1.298 263 N CB -0.944 37.315 38.487 -0.381 0.000 1.565 263 N HN 0.761 nan 8.380 nan 0.000 0.408 264 R N 0.658 121.012 120.500 -0.243 0.000 2.121 264 R HA 0.317 4.657 4.340 -0.001 0.000 0.206 264 R C 0.247 176.501 176.300 -0.076 0.000 1.094 264 R CA 0.848 56.857 56.100 -0.153 0.000 1.055 264 R CB 0.241 30.443 30.300 -0.163 0.000 0.964 264 R HN 0.211 nan 8.270 nan 0.000 0.473 265 V N 2.605 122.480 119.914 -0.064 0.000 2.276 265 V HA 0.459 4.579 4.120 -0.001 0.000 0.249 265 V C -0.252 175.808 176.094 -0.056 0.000 1.160 265 V CA 0.059 62.308 62.300 -0.085 0.000 1.042 265 V CB 0.206 31.897 31.823 -0.219 0.000 1.224 265 V HN 0.427 nan 8.190 nan 0.000 0.496 266 A N 4.652 127.444 122.820 -0.048 0.000 2.602 266 A HA 0.843 5.162 4.320 -0.001 0.000 0.290 266 A C -1.183 176.356 177.584 -0.075 0.000 1.114 266 A CA -0.794 51.203 52.037 -0.068 0.000 0.683 266 A CB 1.806 20.736 19.000 -0.116 0.000 1.281 266 A HN 0.497 nan 8.150 nan 0.000 0.416 267 Q N 0.364 120.050 119.800 -0.190 0.000 2.375 267 Q HA 0.327 4.667 4.340 -0.001 0.000 0.271 267 Q C 0.318 175.887 176.000 -0.719 0.000 1.074 267 Q CA -0.778 54.806 55.803 -0.364 0.000 0.808 267 Q CB 2.640 31.251 28.738 -0.211 0.000 1.327 267 Q HN 0.838 nan 8.270 nan 0.000 0.441 268 K N 2.166 121.771 120.400 -1.325 0.000 2.044 268 K HA -0.160 4.160 4.320 -0.001 0.000 0.210 268 K C -1.064 175.107 176.600 -0.714 0.000 1.049 268 K CA 1.798 57.495 56.287 -0.983 0.000 0.927 268 K CB -0.632 31.189 32.500 -1.132 0.000 0.713 268 K HN 0.318 nan 8.250 nan 0.000 0.443 269 P HA -0.140 nan 4.420 nan 0.000 0.215 269 P C 0.960 178.027 177.300 -0.389 0.000 1.153 269 P CA 1.962 64.775 63.100 -0.478 0.000 0.853 269 P CB -0.074 31.355 31.700 -0.452 0.000 0.788 270 A N -0.540 122.031 122.820 -0.415 0.000 1.898 270 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 270 A C 2.190 179.597 177.584 -0.294 0.000 1.181 270 A CA 1.823 53.646 52.037 -0.357 0.000 0.620 270 A CB -1.425 17.343 19.000 -0.386 0.000 0.819 270 A HN 0.112 nan 8.150 nan 0.000 0.442 271 N N 0.000 118.526 118.700 -0.290 0.000 2.084 271 N HA -0.126 4.613 4.740 -0.001 0.000 0.190 271 N C 1.697 177.103 175.510 -0.173 0.000 1.030 271 N CA 1.651 54.567 53.050 -0.223 0.000 0.849 271 N CB -0.393 37.960 38.487 -0.223 0.000 1.012 271 N HN 0.671 nan 8.380 nan 0.000 0.423 272 E N 0.484 120.571 120.200 -0.188 0.000 2.072 272 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 272 E C 1.887 178.456 176.600 -0.052 0.000 0.985 272 E CA 1.060 57.387 56.400 -0.121 0.000 0.801 272 E CB -0.075 29.545 29.700 -0.134 0.000 0.750 272 E HN 0.335 nan 8.360 nan 0.000 0.452 273 A N 1.179 123.954 122.820 -0.075 0.000 1.969 273 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 273 A C 2.148 179.821 177.584 0.148 0.000 1.169 273 A CA 0.752 52.827 52.037 0.062 0.000 0.635 273 A CB -0.419 18.534 19.000 -0.079 0.000 0.810 273 A HN 0.206 nan 8.150 nan 0.000 0.445 274 L N -0.174 121.052 121.223 0.005 0.000 2.083 274 L HA -0.058 4.282 4.340 -0.001 0.000 0.209 274 L C 2.536 179.432 176.870 0.045 0.000 1.083 274 L CA 2.043 56.892 54.840 0.015 0.000 0.752 274 L CB -0.561 41.434 42.059 -0.107 0.000 0.899 274 L HN 0.322 nan 8.230 nan 0.000 0.433 275 A N -1.674 121.154 122.820 0.013 0.000 2.121 275 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 275 A C 2.003 179.612 177.584 0.041 0.000 1.154 275 A CA 1.186 53.229 52.037 0.011 0.000 0.679 275 A CB -0.274 18.715 19.000 -0.018 0.000 0.795 275 A HN 0.592 nan 8.150 nan 0.000 0.458 276 Q N -0.848 119.010 119.800 0.097 0.000 2.350 276 Q HA 0.324 4.664 4.340 -0.001 0.000 0.225 276 Q C 0.806 176.783 176.000 -0.039 0.000 0.878 276 Q CA 0.646 56.501 55.803 0.086 0.000 0.935 276 Q CB -0.151 28.737 28.738 0.251 0.000 1.099 276 Q HN 0.556 nan 8.270 nan 0.000 0.527 277 A N 2.492 125.319 122.820 0.013 0.000 2.462 277 A HA 0.127 4.447 4.320 -0.001 0.000 0.243 277 A C 0.702 178.224 177.584 -0.103 0.000 1.076 277 A CA 0.157 52.131 52.037 -0.106 0.000 0.773 277 A CB 0.246 19.303 19.000 0.097 0.000 1.010 277 A HN 0.210 nan 8.150 nan 0.000 0.493 278 D N 0.593 120.892 120.400 -0.170 0.000 2.324 278 D HA 0.082 4.722 4.640 -0.001 0.000 0.212 278 D C 0.065 176.357 176.300 -0.014 0.000 0.984 278 D CA 0.514 54.454 54.000 -0.100 0.000 0.885 278 D CB -0.078 40.646 40.800 -0.127 0.000 0.996 278 D HN 0.184 nan 8.370 nan 0.000 0.505 279 V N 1.113 121.039 119.914 0.019 0.000 2.577 279 V HA 0.409 4.528 4.120 -0.001 0.000 0.303 279 V C -0.728 175.412 176.094 0.077 0.000 1.042 279 V CA -0.945 61.409 62.300 0.090 0.000 0.872 279 V CB 2.624 34.518 31.823 0.118 0.000 0.998 279 V HN -0.062 nan 8.190 nan 0.000 0.423 280 V N 5.728 125.670 119.914 0.048 0.000 2.444 280 V HA 0.448 4.568 4.120 -0.001 0.000 0.294 280 V C -0.522 175.498 176.094 -0.124 0.000 1.022 280 V CA -0.635 61.674 62.300 0.015 0.000 0.850 280 V CB 1.809 33.646 31.823 0.022 0.000 0.992 280 V HN 0.669 nan 8.190 nan 0.000 0.426 281 L N 6.181 127.398 121.223 -0.009 0.000 2.259 281 L HA 0.525 4.864 4.340 -0.001 0.000 0.288 281 L C -0.835 176.049 176.870 0.024 0.000 1.051 281 L CA 0.051 54.874 54.840 -0.029 0.000 0.824 281 L CB 0.413 42.496 42.059 0.039 0.000 1.206 281 L HN 0.521 nan 8.230 nan 0.000 0.429 282 F N 6.073 125.823 119.950 -0.333 0.000 2.390 282 F HA 0.545 5.071 4.527 -0.001 0.000 0.361 282 F C -0.547 175.182 175.800 -0.118 0.000 1.124 282 F CA -0.438 57.396 58.000 -0.277 0.000 1.149 282 F CB 0.840 39.508 39.000 -0.552 0.000 1.160 282 F HN 0.214 nan 8.300 nan 0.000 0.501 283 V N 5.030 124.840 119.914 -0.175 0.000 2.444 283 V HA 0.513 4.633 4.120 -0.001 0.000 0.294 283 V C 0.461 176.462 176.094 -0.155 0.000 1.022 283 V CA -0.708 61.535 62.300 -0.095 0.000 0.850 283 V CB 1.023 32.856 31.823 0.017 0.000 0.992 283 V HN 0.980 nan 8.190 nan 0.000 0.426 284 G N 3.349 112.071 108.800 -0.132 0.000 2.371 284 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.299 284 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.299 284 G C -0.082 174.711 174.900 -0.179 0.000 1.014 284 G CA 0.674 45.713 45.100 -0.102 0.000 1.097 284 G HN 0.774 nan 8.290 nan 0.000 0.512 285 N N -0.298 118.184 118.700 -0.363 0.000 2.310 285 N HA 0.418 5.158 4.740 -0.001 0.000 0.292 285 N C -0.632 174.691 175.510 -0.311 0.000 1.049 285 N CA -0.957 51.775 53.050 -0.529 0.000 0.849 285 N CB 1.599 39.327 38.487 -1.264 0.000 1.532 285 N HN 0.084 nan 8.380 nan 0.000 0.479 286 N N 2.755 121.445 118.700 -0.016 0.000 2.571 286 N HA 0.076 4.816 4.740 -0.001 0.000 0.298 286 N C -1.339 174.337 175.510 0.277 0.000 1.671 286 N CA -0.417 52.740 53.050 0.179 0.000 0.900 286 N CB -0.259 38.305 38.487 0.129 0.000 1.365 286 N HN 0.450 nan 8.380 nan 0.000 0.493 287 Y N 2.204 122.626 120.300 0.203 0.000 2.867 287 Y HA -0.007 4.542 4.550 -0.001 0.000 0.367 287 Y C -1.296 174.743 175.900 0.231 0.000 1.310 287 Y CA -0.864 57.397 58.100 0.269 0.000 1.655 287 Y CB 0.684 39.377 38.460 0.388 0.000 1.181 287 Y HN 0.340 nan 8.280 nan 0.000 0.533 288 P HA -0.088 nan 4.420 nan 0.000 0.236 288 P C 0.597 177.515 177.300 -0.636 0.000 1.177 288 P CA 1.051 63.918 63.100 -0.387 0.000 0.773 288 P CB 0.003 31.447 31.700 -0.427 0.000 0.878 289 F N 0.001 119.543 119.950 -0.680 0.000 2.765 289 F HA 0.312 4.838 4.527 -0.001 0.000 0.302 289 F C 2.397 177.975 175.800 -0.369 0.000 1.111 289 F CA 0.059 57.751 58.000 -0.514 0.000 1.359 289 F CB -0.909 37.768 39.000 -0.538 0.000 1.097 289 F HN -0.072 nan 8.300 nan 0.000 0.577 290 A N 0.737 123.487 122.820 -0.118 0.000 1.859 290 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 290 A C 2.074 179.699 177.584 0.068 0.000 1.198 290 A CA 2.198 54.315 52.037 0.132 0.000 0.629 290 A CB -0.592 18.646 19.000 0.396 0.000 0.830 290 A HN 0.351 nan 8.150 nan 0.000 0.446 291 E N -0.354 119.887 120.200 0.067 0.000 2.046 291 E HA -0.076 4.274 4.350 -0.001 0.000 0.190 291 E C 2.053 178.671 176.600 0.031 0.000 0.982 291 E CA 1.437 57.870 56.400 0.056 0.000 0.800 291 E CB -0.535 29.191 29.700 0.042 0.000 0.756 291 E HN 0.590 nan 8.360 nan 0.000 0.449 292 V N -0.121 119.805 119.914 0.020 0.000 2.720 292 V HA -0.153 3.967 4.120 -0.001 0.000 0.256 292 V C 1.871 177.988 176.094 0.038 0.000 1.082 292 V CA 1.753 64.070 62.300 0.028 0.000 1.101 292 V CB -0.678 31.164 31.823 0.031 0.000 0.693 292 V HN 0.289 nan 8.190 nan 0.000 0.479 293 S N -1.227 114.499 115.700 0.043 0.000 2.557 293 S HA 0.234 4.703 4.470 -0.001 0.000 0.223 293 S C 0.767 175.359 174.600 -0.014 0.000 0.969 293 S CA -0.011 58.202 58.200 0.022 0.000 0.927 293 S CB -0.514 62.707 63.200 0.036 0.000 0.806 293 S HN 0.684 nan 8.310 nan 0.000 0.489 294 K N 0.704 121.097 120.400 -0.012 0.000 3.156 294 K HA -0.236 4.084 4.320 -0.001 0.000 0.266 294 K C 1.127 177.673 176.600 -0.091 0.000 0.966 294 K CA 0.349 56.623 56.287 -0.021 0.000 0.719 294 K CB -2.020 30.477 32.500 -0.005 0.000 1.333 294 K HN 0.563 nan 8.250 nan 0.000 0.468 295 A N 0.091 122.785 122.820 -0.211 0.000 1.940 295 A HA -0.107 4.213 4.320 -0.001 0.000 0.219 295 A C 1.164 178.444 177.584 -0.506 0.000 1.176 295 A CA 1.370 53.152 52.037 -0.425 0.000 0.631 295 A CB -0.210 18.386 19.000 -0.673 0.000 0.814 295 A HN 0.385 nan 8.150 nan 0.000 0.446 296 F N -0.233 119.661 119.950 -0.093 0.000 2.708 296 F HA 0.205 4.732 4.527 -0.001 0.000 0.300 296 F C 1.617 177.301 175.800 -0.193 0.000 1.118 296 F CA -0.132 57.710 58.000 -0.263 0.000 1.307 296 F CB -0.001 38.514 39.000 -0.809 0.000 0.986 296 F HN 0.332 nan 8.300 nan 0.000 0.522 297 K N -0.507 119.922 120.400 0.048 0.000 2.209 297 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 297 K C 0.780 177.416 176.600 0.060 0.000 1.048 297 K CA 1.640 57.971 56.287 0.073 0.000 0.940 297 K CB -0.129 32.391 32.500 0.034 0.000 0.729 297 K HN 0.087 nan 8.250 nan 0.000 0.451 298 N N 0.702 119.429 118.700 0.044 0.000 2.236 298 N HA 0.024 4.763 4.740 -0.001 0.000 0.196 298 N C -0.493 175.033 175.510 0.026 0.000 1.114 298 N CA 0.235 53.300 53.050 0.025 0.000 0.859 298 N CB 0.666 39.159 38.487 0.010 0.000 0.982 298 N HN 0.151 nan 8.380 nan 0.000 0.493 299 T N 0.599 115.191 114.554 0.064 0.000 2.901 299 T HA 0.104 4.453 4.350 -0.001 0.000 0.301 299 T C 1.456 176.160 174.700 0.007 0.000 1.012 299 T CA -0.088 62.052 62.100 0.066 0.000 1.135 299 T CB 2.242 71.190 68.868 0.133 0.000 0.936 299 T HN 0.148 nan 8.240 nan 0.000 0.539 300 R N 1.393 121.835 120.500 -0.097 0.000 2.087 300 R HA 0.099 4.438 4.340 -0.001 0.000 0.216 300 R C -0.446 175.562 176.300 -0.487 0.000 1.114 300 R CA 0.686 56.588 56.100 -0.330 0.000 1.002 300 R CB 0.314 30.348 30.300 -0.444 0.000 0.903 300 R HN 0.609 nan 8.270 nan 0.000 0.445 301 Y N -1.001 119.353 120.300 0.090 0.000 2.446 301 Y HA 0.394 4.944 4.550 -0.001 0.000 0.345 301 Y C -1.186 174.802 175.900 0.146 0.000 0.984 301 Y CA -1.271 56.890 58.100 0.102 0.000 1.058 301 Y CB 1.679 40.169 38.460 0.050 0.000 1.220 301 Y HN -0.072 nan 8.280 nan 0.000 0.455 302 F N 4.390 124.430 119.950 0.150 0.000 2.507 302 F HA 0.703 5.230 4.527 -0.001 0.000 0.328 302 F C -1.627 174.203 175.800 0.050 0.000 1.136 302 F CA -0.924 57.092 58.000 0.027 0.000 0.930 302 F CB 0.755 39.758 39.000 0.006 0.000 1.166 302 F HN 0.321 nan 8.300 nan 0.000 0.436 303 L N 5.418 126.504 121.223 -0.228 0.000 2.346 303 L HA 0.606 4.946 4.340 -0.001 0.000 0.274 303 L C -0.858 175.917 176.870 -0.158 0.000 1.007 303 L CA -0.831 53.950 54.840 -0.099 0.000 0.818 303 L CB 2.060 44.087 42.059 -0.054 0.000 1.284 303 L HN 0.582 nan 8.230 nan 0.000 0.424 304 Q N 2.534 122.324 119.800 -0.016 0.000 2.359 304 Q HA 0.646 4.986 4.340 -0.001 0.000 0.274 304 Q C -1.782 174.248 176.000 0.050 0.000 1.074 304 Q CA -0.602 55.232 55.803 0.051 0.000 0.810 304 Q CB 2.950 31.794 28.738 0.176 0.000 1.342 304 Q HN 0.619 nan 8.270 nan 0.000 0.427 305 I N 2.979 123.573 120.570 0.040 0.000 2.447 305 I HA 0.457 4.627 4.170 -0.001 0.000 0.287 305 I C -0.994 175.134 176.117 0.018 0.000 1.023 305 I CA -0.476 60.837 61.300 0.022 0.000 1.083 305 I CB 1.824 39.827 38.000 0.004 0.000 1.245 305 I HN 0.566 nan 8.210 nan 0.000 0.434 306 D N 4.352 124.768 120.400 0.025 0.000 2.655 306 D HA 0.276 4.915 4.640 -0.001 0.000 0.229 306 D C -0.136 176.172 176.300 0.014 0.000 1.229 306 D CA -0.454 53.556 54.000 0.017 0.000 0.807 306 D CB 3.134 43.958 40.800 0.040 0.000 1.514 306 D HN 0.395 nan 8.370 nan 0.000 0.444 307 I N 1.275 121.848 120.570 0.004 0.000 3.603 307 I HA 0.067 4.237 4.170 -0.001 0.000 0.297 307 I C -0.003 176.118 176.117 0.006 0.000 1.269 307 I CA 0.413 61.715 61.300 0.004 0.000 1.361 307 I CB 0.168 38.168 38.000 -0.001 0.000 1.063 307 I HN 0.188 nan 8.210 nan 0.000 0.448 308 D N 0.064 120.468 120.400 0.007 0.000 2.349 308 D HA 0.265 4.904 4.640 -0.001 0.000 0.232 308 D C -1.868 174.445 176.300 0.021 0.000 1.071 308 D CA -2.590 51.414 54.000 0.007 0.000 0.832 308 D CB 1.876 42.672 40.800 -0.007 0.000 1.086 308 D HN -0.061 nan 8.370 nan 0.000 0.504 309 P HA -0.074 nan 4.420 nan 0.000 0.219 309 P C 0.906 178.224 177.300 0.030 0.000 1.146 309 P CA 0.950 64.066 63.100 0.026 0.000 0.808 309 P CB 0.201 31.913 31.700 0.020 0.000 0.779 310 A N -0.469 122.367 122.820 0.026 0.000 2.172 310 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 310 A C 1.857 179.468 177.584 0.045 0.000 1.154 310 A CA 1.310 53.365 52.037 0.029 0.000 0.701 310 A CB -0.654 18.358 19.000 0.021 0.000 0.789 310 A HN 0.055 nan 8.150 nan 0.000 0.465 311 K N -0.374 120.060 120.400 0.057 0.000 2.361 311 K HA 0.257 4.577 4.320 -0.001 0.000 0.194 311 K C 0.099 176.768 176.600 0.116 0.000 1.032 311 K CA 0.029 56.371 56.287 0.091 0.000 1.048 311 K CB -0.114 32.443 32.500 0.096 0.000 0.842 311 K HN 0.454 nan 8.250 nan 0.000 0.526 312 L N 1.479 122.756 121.223 0.090 0.000 2.456 312 L HA 0.117 4.457 4.340 -0.001 0.000 0.277 312 L C 1.038 177.963 176.870 0.091 0.000 1.124 312 L CA 0.314 55.212 54.840 0.098 0.000 0.880 312 L CB -0.240 41.860 42.059 0.069 0.000 1.192 312 L HN 0.453 nan 8.230 nan 0.000 0.463 313 G N 2.537 111.410 108.800 0.121 0.000 2.143 313 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.249 313 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.249 313 G C 1.041 175.973 174.900 0.053 0.000 0.981 313 G CA 0.588 45.735 45.100 0.078 0.000 0.665 313 G HN 0.754 nan 8.290 nan 0.000 0.528 314 K N -0.213 120.243 120.400 0.093 0.000 2.062 314 K HA 0.042 4.362 4.320 -0.001 0.000 0.205 314 K C 2.375 179.013 176.600 0.064 0.000 1.051 314 K CA 0.960 57.294 56.287 0.078 0.000 0.941 314 K CB -0.125 32.440 32.500 0.109 0.000 0.719 314 K HN 0.234 nan 8.250 nan 0.000 0.440 315 R N -0.280 120.269 120.500 0.081 0.000 2.300 315 R HA 0.139 4.479 4.340 -0.001 0.000 0.199 315 R C 0.124 176.396 176.300 -0.045 0.000 0.920 315 R CA 0.353 56.489 56.100 0.061 0.000 1.046 315 R CB 0.131 30.532 30.300 0.168 0.000 0.984 315 R HN 0.400 nan 8.270 nan 0.000 0.493 316 H N -0.553 118.305 119.070 -0.354 0.000 3.043 316 H HA 0.108 4.664 4.556 -0.001 0.000 0.317 316 H C -1.169 173.916 175.328 -0.404 0.000 1.321 316 H CA -0.681 55.044 56.048 -0.538 0.000 1.243 316 H CB 1.766 30.724 29.762 -1.339 0.000 1.924 316 H HN -0.182 nan 8.280 nan 0.000 0.527 317 K N 2.335 122.256 120.400 -0.798 0.000 2.453 317 K HA 0.075 4.395 4.320 -0.001 0.000 0.280 317 K C -0.850 175.620 176.600 -0.217 0.000 1.045 317 K CA 0.619 56.655 56.287 -0.417 0.000 1.059 317 K CB 0.314 32.572 32.500 -0.402 0.000 0.901 317 K HN 0.414 nan 8.250 nan 0.000 0.475 318 T N 4.272 118.819 114.554 -0.011 0.000 2.792 318 T HA 0.140 4.490 4.350 -0.001 0.000 0.280 318 T C 0.292 175.075 174.700 0.138 0.000 0.990 318 T CA -0.835 61.376 62.100 0.184 0.000 0.960 318 T CB 1.395 70.400 68.868 0.228 0.000 0.939 318 T HN 0.575 nan 8.240 nan 0.000 0.439 319 D N 2.015 122.525 120.400 0.183 0.000 2.137 319 D HA 0.072 4.712 4.640 -0.001 0.000 0.202 319 D C 0.487 176.837 176.300 0.083 0.000 0.970 319 D CA 1.130 55.211 54.000 0.136 0.000 0.837 319 D CB 0.586 41.503 40.800 0.195 0.000 0.981 319 D HN 0.452 nan 8.370 nan 0.000 0.475 320 I N 0.586 121.202 120.570 0.077 0.000 2.512 320 I HA 0.384 4.553 4.170 -0.001 0.000 0.287 320 I C -0.945 175.205 176.117 0.055 0.000 1.069 320 I CA -0.815 60.511 61.300 0.043 0.000 1.056 320 I CB 2.302 40.310 38.000 0.012 0.000 1.229 320 I HN -0.214 nan 8.210 nan 0.000 0.429 321 A N 6.428 129.282 122.820 0.056 0.000 2.304 321 A HA 0.779 5.098 4.320 -0.001 0.000 0.314 321 A C -0.722 176.887 177.584 0.042 0.000 1.187 321 A CA -0.522 51.553 52.037 0.064 0.000 0.810 321 A CB 1.289 20.337 19.000 0.080 0.000 1.183 321 A HN 0.441 nan 8.150 nan 0.000 0.487 322 V N 3.548 123.482 119.914 0.034 0.000 2.398 322 V HA 0.274 4.393 4.120 -0.001 0.000 0.286 322 V C -0.281 175.827 176.094 0.024 0.000 1.026 322 V CA -0.460 61.852 62.300 0.022 0.000 0.868 322 V CB 1.356 33.187 31.823 0.012 0.000 0.982 322 V HN 0.795 nan 8.190 nan 0.000 0.443 323 L N 6.043 127.278 121.223 0.020 0.000 2.312 323 L HA 0.758 5.097 4.340 -0.001 0.000 0.287 323 L C 0.174 177.050 176.870 0.010 0.000 1.091 323 L CA 0.702 55.553 54.840 0.018 0.000 0.846 323 L CB -0.069 42.000 42.059 0.018 0.000 1.219 323 L HN 0.866 nan 8.230 nan 0.000 0.439 324 A N 3.381 126.206 122.820 0.008 0.000 2.566 324 A HA 0.409 4.729 4.320 -0.001 0.000 0.290 324 A C -1.478 176.106 177.584 -0.000 0.000 1.071 324 A CA -0.785 51.254 52.037 0.002 0.000 0.658 324 A CB 0.495 19.495 19.000 -0.000 0.000 1.285 324 A HN 0.575 nan 8.150 nan 0.000 0.427 325 D N 0.693 121.091 120.400 -0.004 0.000 2.389 325 D HA 0.503 5.143 4.640 -0.001 0.000 0.247 325 D C 1.271 177.565 176.300 -0.010 0.000 1.128 325 D CA 0.709 54.705 54.000 -0.006 0.000 0.884 325 D CB 1.399 42.194 40.800 -0.008 0.000 1.194 325 D HN 0.804 nan 8.370 nan 0.000 0.441 326 A N 3.714 126.527 122.820 -0.012 0.000 1.883 326 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 326 A C 1.972 179.541 177.584 -0.026 0.000 1.186 326 A CA 1.421 53.447 52.037 -0.018 0.000 0.624 326 A CB -0.724 18.264 19.000 -0.020 0.000 0.822 326 A HN 0.794 nan 8.150 nan 0.000 0.444 327 Q N -0.164 119.620 119.800 -0.027 0.000 2.050 327 Q HA -0.195 4.145 4.340 -0.001 0.000 0.202 327 Q C 2.016 177.999 176.000 -0.028 0.000 0.980 327 Q CA 1.875 57.658 55.803 -0.034 0.000 0.840 327 Q CB -0.157 28.563 28.738 -0.031 0.000 0.898 327 Q HN 0.715 nan 8.270 nan 0.000 0.424 328 K N -0.637 119.751 120.400 -0.021 0.000 2.097 328 K HA -0.094 4.226 4.320 -0.001 0.000 0.206 328 K C 2.105 178.694 176.600 -0.018 0.000 1.049 328 K CA 1.727 58.003 56.287 -0.018 0.000 0.933 328 K CB -0.069 32.423 32.500 -0.014 0.000 0.717 328 K HN 0.211 nan 8.250 nan 0.000 0.442 329 T N 1.888 116.432 114.554 -0.016 0.000 2.777 329 T HA -0.052 4.297 4.350 -0.001 0.000 0.266 329 T C 1.890 176.579 174.700 -0.018 0.000 1.040 329 T CA 0.924 63.015 62.100 -0.014 0.000 1.141 329 T CB -0.130 68.731 68.868 -0.011 0.000 0.868 329 T HN 0.091 nan 8.240 nan 0.000 0.444 330 L N 0.791 122.000 121.223 -0.024 0.000 2.141 330 L HA -0.001 4.338 4.340 -0.001 0.000 0.209 330 L C 3.002 179.854 176.870 -0.030 0.000 1.094 330 L CA 0.962 55.785 54.840 -0.028 0.000 0.763 330 L CB -0.610 41.424 42.059 -0.042 0.000 0.908 330 L HN 0.235 nan 8.230 nan 0.000 0.437 331 A N 0.039 122.841 122.820 -0.030 0.000 1.930 331 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 331 A C 2.516 180.087 177.584 -0.023 0.000 1.175 331 A CA 1.576 53.596 52.037 -0.028 0.000 0.627 331 A CB -0.558 18.427 19.000 -0.026 0.000 0.815 331 A HN 0.381 nan 8.150 nan 0.000 0.443 332 A N -0.111 122.697 122.820 -0.020 0.000 1.929 332 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 332 A C 2.075 179.649 177.584 -0.017 0.000 1.176 332 A CA 1.318 53.345 52.037 -0.017 0.000 0.628 332 A CB -0.509 18.482 19.000 -0.015 0.000 0.816 332 A HN 0.491 nan 8.150 nan 0.000 0.444 333 I N -0.950 119.610 120.570 -0.017 0.000 2.252 333 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 333 I C 2.380 178.485 176.117 -0.019 0.000 1.102 333 I CA 0.959 62.249 61.300 -0.017 0.000 1.385 333 I CB -0.278 37.713 38.000 -0.014 0.000 1.064 333 I HN 0.327 nan 8.210 nan 0.000 0.414 334 L N 1.387 122.597 121.223 -0.022 0.000 2.083 334 L HA -0.120 4.220 4.340 -0.001 0.000 0.209 334 L C 2.481 179.337 176.870 -0.022 0.000 1.083 334 L CA 1.947 56.773 54.840 -0.024 0.000 0.752 334 L CB -0.761 41.280 42.059 -0.029 0.000 0.899 334 L HN 0.188 nan 8.230 nan 0.000 0.433 335 A N -0.891 121.917 122.820 -0.020 0.000 2.172 335 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 335 A C 1.807 179.381 177.584 -0.017 0.000 1.154 335 A CA 1.349 53.375 52.037 -0.018 0.000 0.701 335 A CB -0.536 18.454 19.000 -0.017 0.000 0.789 335 A HN 0.765 nan 8.150 nan 0.000 0.465 336 Q N -0.469 119.321 119.800 -0.018 0.000 2.155 336 Q HA 0.396 4.736 4.340 -0.001 0.000 0.220 336 Q C -0.145 175.844 176.000 -0.019 0.000 0.819 336 Q CA 0.070 55.863 55.803 -0.017 0.000 1.032 336 Q CB -0.101 28.628 28.738 -0.016 0.000 1.151 336 Q HN 0.437 nan 8.270 nan 0.000 0.487 337 V N -1.528 118.373 119.914 -0.021 0.000 3.019 337 V HA 0.918 5.038 4.120 -0.001 0.000 0.317 337 V C -0.332 175.747 176.094 -0.025 0.000 1.094 337 V CA -0.357 61.929 62.300 -0.023 0.000 1.000 337 V CB 1.777 33.585 31.823 -0.025 0.000 1.060 337 V HN 0.324 nan 8.190 nan 0.000 0.443 338 S N -0.013 115.670 115.700 -0.028 0.000 2.697 338 S HA 0.646 5.116 4.470 -0.001 0.000 0.289 338 S C -0.488 174.088 174.600 -0.039 0.000 1.149 338 S CA -0.713 57.469 58.200 -0.030 0.000 0.850 338 S CB 1.410 64.596 63.200 -0.024 0.000 1.151 338 S HN 1.189 nan 8.310 nan 0.000 0.491 339 E N 0.855 121.030 120.200 -0.042 0.000 2.765 339 E HA -0.022 4.327 4.350 -0.001 0.000 0.256 339 E C -0.440 176.124 176.600 -0.060 0.000 0.935 339 E CA 0.807 57.174 56.400 -0.056 0.000 0.954 339 E CB 0.281 29.954 29.700 -0.045 0.000 0.908 339 E HN 0.446 nan 8.360 nan 0.000 0.500 340 R N 3.821 124.268 120.500 -0.087 0.000 2.514 340 R HA 0.236 4.576 4.340 -0.001 0.000 0.301 340 R C -0.311 175.925 176.300 -0.106 0.000 0.962 340 R CA -0.739 55.310 56.100 -0.085 0.000 0.882 340 R CB 1.209 31.451 30.300 -0.095 0.000 1.143 340 R HN 0.672 nan 8.270 nan 0.000 0.452 341 E N 0.705 120.863 120.200 -0.070 0.000 2.390 341 E HA 0.002 4.352 4.350 -0.001 0.000 0.261 341 E C -0.257 176.292 176.600 -0.086 0.000 1.076 341 E CA -0.072 56.291 56.400 -0.063 0.000 0.905 341 E CB 0.938 30.625 29.700 -0.022 0.000 0.984 341 E HN 0.357 nan 8.360 nan 0.000 0.427 342 S N 1.523 117.173 115.700 -0.082 0.000 2.642 342 S HA -0.053 4.416 4.470 -0.001 0.000 0.308 342 S C -0.029 174.591 174.600 0.033 0.000 1.255 342 S CA 0.081 58.249 58.200 -0.052 0.000 1.057 342 S CB -0.081 63.168 63.200 0.082 0.000 0.785 342 S HN 0.524 nan 8.310 nan 0.000 0.500 343 T N 3.510 118.114 114.554 0.084 0.000 2.948 343 T HA 0.546 4.896 4.350 -0.001 0.000 0.285 343 T C -2.103 172.688 174.700 0.151 0.000 1.019 343 T CA -1.899 60.278 62.100 0.129 0.000 1.013 343 T CB 1.099 70.064 68.868 0.160 0.000 1.117 343 T HN 0.313 nan 8.240 nan 0.000 0.533 344 P HA -0.078 nan 4.420 nan 0.000 0.215 344 P C 1.319 178.725 177.300 0.177 0.000 1.153 344 P CA 0.888 64.082 63.100 0.158 0.000 0.853 344 P CB -0.055 31.781 31.700 0.228 0.000 0.788 345 W N -0.578 120.761 121.300 0.065 0.000 2.335 345 W HA -0.191 4.469 4.660 -0.001 0.000 0.311 345 W C 2.065 178.628 176.519 0.072 0.000 1.213 345 W CA 0.916 58.303 57.345 0.070 0.000 1.274 345 W CB -0.981 28.533 29.460 0.091 0.000 1.148 345 W HN 0.063 nan 8.180 nan 0.000 0.498 346 W N 1.620 122.873 121.300 -0.078 0.000 2.333 346 W HA -0.289 4.370 4.660 -0.001 0.000 0.316 346 W C 2.190 178.500 176.519 -0.347 0.000 1.215 346 W CA 2.091 59.301 57.345 -0.226 0.000 1.278 346 W CB -0.641 28.765 29.460 -0.090 0.000 1.154 346 W HN 0.099 nan 8.180 nan 0.000 0.486 347 Q N 0.158 119.765 119.800 -0.321 0.000 2.119 347 Q HA -0.134 4.206 4.340 -0.001 0.000 0.201 347 Q C 2.539 178.031 176.000 -0.846 0.000 0.972 347 Q CA 1.966 57.317 55.803 -0.754 0.000 0.847 347 Q CB -0.588 27.470 28.738 -1.135 0.000 0.903 347 Q HN 0.289 nan 8.270 nan 0.000 0.433 348 A N 1.281 123.762 122.820 -0.565 0.000 1.933 348 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 348 A C 1.799 179.195 177.584 -0.314 0.000 1.175 348 A CA 1.454 53.414 52.037 -0.128 0.000 0.628 348 A CB -0.465 18.614 19.000 0.132 0.000 0.814 348 A HN 0.313 nan 8.150 nan 0.000 0.444 349 N N -0.031 118.355 118.700 -0.524 0.000 2.188 349 N HA -0.060 4.679 4.740 -0.001 0.000 0.184 349 N C 1.737 176.902 175.510 -0.574 0.000 1.018 349 N CA 1.290 53.983 53.050 -0.594 0.000 0.858 349 N CB -0.300 37.737 38.487 -0.751 0.000 0.989 349 N HN 0.489 nan 8.380 nan 0.000 0.426 350 L N 0.943 121.762 121.223 -0.673 0.000 2.046 350 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 350 L C 2.549 179.133 176.870 -0.477 0.000 1.077 350 L CA 1.016 55.482 54.840 -0.624 0.000 0.747 350 L CB -0.478 41.144 42.059 -0.728 0.000 0.896 350 L HN 0.102 nan 8.230 nan 0.000 0.432 351 A N 0.205 122.735 122.820 -0.484 0.000 1.902 351 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 351 A C 2.073 179.154 177.584 -0.838 0.000 1.181 351 A CA 2.143 53.849 52.037 -0.552 0.000 0.623 351 A CB -0.691 18.020 19.000 -0.483 0.000 0.818 351 A HN 0.450 nan 8.150 nan 0.000 0.443 352 N N -0.013 118.183 118.700 -0.840 0.000 2.120 352 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 352 N C 1.476 176.828 175.510 -0.264 0.000 1.024 352 N CA 1.680 54.397 53.050 -0.555 0.000 0.852 352 N CB -0.333 37.979 38.487 -0.292 0.000 1.003 352 N HN 0.162 nan 8.380 nan 0.000 0.424 353 V N 0.841 120.595 119.914 -0.267 0.000 2.358 353 V HA -0.177 3.943 4.120 -0.001 0.000 0.246 353 V C 2.271 178.331 176.094 -0.058 0.000 1.047 353 V CA 1.466 63.691 62.300 -0.126 0.000 1.035 353 V CB -0.403 31.299 31.823 -0.202 0.000 0.658 353 V HN 0.343 nan 8.190 nan 0.000 0.452 354 K N 0.128 120.436 120.400 -0.154 0.000 2.032 354 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 354 K C 2.183 178.758 176.600 -0.041 0.000 1.048 354 K CA 1.759 57.982 56.287 -0.107 0.000 0.927 354 K CB -0.402 32.016 32.500 -0.136 0.000 0.712 354 K HN 0.505 nan 8.250 nan 0.000 0.441 355 N N 0.452 119.128 118.700 -0.040 0.000 2.120 355 N HA -0.204 4.535 4.740 -0.001 0.000 0.188 355 N C 1.719 177.326 175.510 0.163 0.000 1.024 355 N CA 1.003 54.095 53.050 0.069 0.000 0.852 355 N CB -0.109 38.456 38.487 0.131 0.000 1.003 355 N HN 0.416 nan 8.380 nan 0.000 0.424 356 W N 1.950 123.230 121.300 -0.033 0.000 2.355 356 W HA -0.117 4.542 4.660 -0.001 0.000 0.309 356 W C 1.806 178.348 176.519 0.038 0.000 1.206 356 W CA 0.812 58.161 57.345 0.008 0.000 1.284 356 W CB -0.123 29.302 29.460 -0.058 0.000 1.145 356 W HN 0.100 nan 8.180 nan 0.000 0.502 357 R N 0.183 120.631 120.500 -0.086 0.000 2.148 357 R HA -0.074 4.266 4.340 -0.001 0.000 0.223 357 R C 2.476 178.665 176.300 -0.185 0.000 1.088 357 R CA 1.205 57.168 56.100 -0.228 0.000 0.985 357 R CB -0.671 29.570 30.300 -0.098 0.000 0.880 357 R HN 0.132 nan 8.270 nan 0.000 0.451 358 A N 0.683 123.451 122.820 -0.086 0.000 1.898 358 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 358 A C 1.938 179.474 177.584 -0.081 0.000 1.181 358 A CA 1.097 53.095 52.037 -0.064 0.000 0.620 358 A CB -0.655 18.341 19.000 -0.007 0.000 0.819 358 A HN 0.434 nan 8.150 nan 0.000 0.442 359 Y N 0.757 120.947 120.300 -0.184 0.000 2.097 359 Y HA -0.217 4.333 4.550 -0.001 0.000 0.282 359 Y C 1.939 177.639 175.900 -0.333 0.000 1.152 359 Y CA 1.961 59.926 58.100 -0.225 0.000 1.136 359 Y CB -0.481 37.852 38.460 -0.212 0.000 0.975 359 Y HN 0.214 nan 8.280 nan 0.000 0.498 360 L N -0.156 120.656 121.223 -0.686 0.000 2.046 360 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 360 L C 2.814 179.449 176.870 -0.392 0.000 1.077 360 L CA 1.269 55.694 54.840 -0.692 0.000 0.747 360 L CB -1.141 40.492 42.059 -0.711 0.000 0.896 360 L HN 0.366 nan 8.230 nan 0.000 0.432 361 A N 0.249 122.902 122.820 -0.278 0.000 1.978 361 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 361 A C 2.528 180.004 177.584 -0.180 0.000 1.170 361 A CA 2.028 53.959 52.037 -0.177 0.000 0.636 361 A CB -0.643 18.279 19.000 -0.130 0.000 0.810 361 A HN 0.556 nan 8.150 nan 0.000 0.448 362 S N 0.015 115.585 115.700 -0.217 0.000 2.383 362 S HA -0.067 4.403 4.470 -0.001 0.000 0.227 362 S C 1.862 176.339 174.600 -0.206 0.000 1.026 362 S CA 1.333 59.427 58.200 -0.177 0.000 0.981 362 S CB -0.705 62.407 63.200 -0.145 0.000 0.818 362 S HN 0.466 nan 8.310 nan 0.000 0.472 363 L N 1.094 122.114 121.223 -0.338 0.000 2.056 363 L HA -0.028 4.312 4.340 -0.001 0.000 0.207 363 L C 2.899 179.689 176.870 -0.133 0.000 1.078 363 L CA 1.633 56.296 54.840 -0.295 0.000 0.749 363 L CB -0.641 41.033 42.059 -0.642 0.000 0.901 363 L HN 0.361 nan 8.230 nan 0.000 0.433 364 E N -0.054 120.059 120.200 -0.144 0.000 2.150 364 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 364 E C 1.038 177.586 176.600 -0.087 0.000 0.985 364 E CA 0.933 57.273 56.400 -0.101 0.000 0.814 364 E CB 0.060 29.706 29.700 -0.089 0.000 0.752 364 E HN 0.424 nan 8.360 nan 0.000 0.466 365 D N 0.699 121.047 120.400 -0.088 0.000 2.328 365 D HA 0.020 4.660 4.640 -0.001 0.000 0.221 365 D C -0.235 176.031 176.300 -0.057 0.000 1.072 365 D CA 0.238 54.196 54.000 -0.070 0.000 0.850 365 D CB 0.144 40.904 40.800 -0.068 0.000 0.922 365 D HN 0.040 nan 8.370 nan 0.000 0.516 366 K N 1.018 121.387 120.400 -0.051 0.000 2.484 366 K HA -0.005 4.315 4.320 -0.001 0.000 0.280 366 K C 1.132 177.710 176.600 -0.037 0.000 1.013 366 K CA 0.303 56.568 56.287 -0.037 0.000 1.029 366 K CB 0.864 33.350 32.500 -0.024 0.000 0.902 366 K HN -0.085 nan 8.250 nan 0.000 0.481 367 Q N 1.663 121.444 119.800 -0.031 0.000 2.317 367 Q HA 0.121 4.460 4.340 -0.001 0.000 0.220 367 Q C -0.223 175.762 176.000 -0.024 0.000 0.873 367 Q CA 0.733 56.518 55.803 -0.030 0.000 0.936 367 Q CB 0.909 29.631 28.738 -0.027 0.000 1.105 367 Q HN 0.592 nan 8.270 nan 0.000 0.520 368 E N -1.182 119.006 120.200 -0.021 0.000 2.413 368 E HA 0.578 4.928 4.350 -0.001 0.000 0.277 368 E C -0.603 175.988 176.600 -0.016 0.000 0.958 368 E CA -0.268 56.122 56.400 -0.017 0.000 0.779 368 E CB 2.389 32.081 29.700 -0.013 0.000 1.278 368 E HN 0.144 nan 8.360 nan 0.000 0.456 369 G N 1.688 110.480 108.800 -0.014 0.000 2.362 369 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.517 369 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.517 369 G C -2.926 171.964 174.900 -0.016 0.000 1.256 369 G CA -1.062 44.029 45.100 -0.013 0.000 1.027 369 G HN 0.372 nan 8.290 nan 0.000 0.491 370 P HA 0.369 nan 4.420 nan 0.000 0.267 370 P C -0.069 177.213 177.300 -0.031 0.000 1.209 370 P CA -0.115 62.972 63.100 -0.022 0.000 0.763 370 P CB 1.115 32.803 31.700 -0.020 0.000 0.816 371 L N 4.321 125.522 121.223 -0.037 0.000 2.410 371 L HA 0.108 4.447 4.340 -0.001 0.000 0.273 371 L C 0.414 177.235 176.870 -0.083 0.000 1.152 371 L CA 0.693 55.501 54.840 -0.053 0.000 0.855 371 L CB -0.028 42.004 42.059 -0.045 0.000 1.129 371 L HN 0.382 nan 8.230 nan 0.000 0.463 372 Q N 3.100 122.824 119.800 -0.127 0.000 2.306 372 Q HA 0.556 4.896 4.340 -0.001 0.000 0.269 372 Q C 0.869 176.685 176.000 -0.307 0.000 1.053 372 Q CA -0.281 55.368 55.803 -0.256 0.000 0.879 372 Q CB 1.498 30.023 28.738 -0.355 0.000 1.344 372 Q HN 0.788 nan 8.270 nan 0.000 0.464 373 A N 0.309 122.874 122.820 -0.425 0.000 2.024 373 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 373 A C 1.321 178.762 177.584 -0.238 0.000 1.164 373 A CA 1.614 53.540 52.037 -0.185 0.000 0.643 373 A CB -0.630 18.255 19.000 -0.191 0.000 0.806 373 A HN 0.738 nan 8.150 nan 0.000 0.451 374 Y N -0.160 120.031 120.300 -0.182 0.000 2.242 374 Y HA -0.149 4.400 4.550 -0.001 0.000 0.291 374 Y C 2.500 178.189 175.900 -0.351 0.000 1.137 374 Y CA 1.449 59.275 58.100 -0.457 0.000 1.181 374 Y CB -0.976 37.246 38.460 -0.396 0.000 0.989 374 Y HN 0.369 nan 8.280 nan 0.000 0.527 375 Q N -0.424 119.313 119.800 -0.106 0.000 2.245 375 Q HA -0.026 4.313 4.340 -0.001 0.000 0.201 375 Q C 2.318 178.214 176.000 -0.174 0.000 0.955 375 Q CA 0.857 56.586 55.803 -0.124 0.000 0.870 375 Q CB -0.360 28.322 28.738 -0.093 0.000 0.945 375 Q HN 0.315 nan 8.270 nan 0.000 0.461 376 V N 0.416 120.243 119.914 -0.145 0.000 2.358 376 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 376 V C 1.931 177.918 176.094 -0.178 0.000 1.047 376 V CA 1.522 63.718 62.300 -0.173 0.000 1.035 376 V CB -0.400 31.355 31.823 -0.114 0.000 0.658 376 V HN 0.340 nan 8.190 nan 0.000 0.452 377 L N -0.415 120.771 121.223 -0.060 0.000 2.217 377 L HA -0.069 4.271 4.340 -0.001 0.000 0.211 377 L C 2.730 179.518 176.870 -0.136 0.000 1.107 377 L CA 1.059 55.867 54.840 -0.053 0.000 0.783 377 L CB -0.572 41.479 42.059 -0.014 0.000 0.919 377 L HN 0.236 nan 8.230 nan 0.000 0.442 378 R N 0.906 121.304 120.500 -0.170 0.000 2.081 378 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 378 R C 2.153 178.314 176.300 -0.232 0.000 1.131 378 R CA 1.714 57.719 56.100 -0.158 0.000 0.960 378 R CB -0.276 29.939 30.300 -0.141 0.000 0.856 378 R HN 0.333 nan 8.270 nan 0.000 0.436 379 A N 0.358 122.940 122.820 -0.397 0.000 1.969 379 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 379 A C 2.404 179.641 177.584 -0.578 0.000 1.169 379 A CA 1.368 53.030 52.037 -0.624 0.000 0.635 379 A CB -0.434 17.848 19.000 -1.196 0.000 0.810 379 A HN 0.203 nan 8.150 nan 0.000 0.445 380 V N 0.936 120.581 119.914 -0.448 0.000 2.295 380 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 380 V C 2.321 178.370 176.094 -0.075 0.000 1.049 380 V CA 2.123 64.348 62.300 -0.125 0.000 1.024 380 V CB -0.889 30.868 31.823 -0.110 0.000 0.648 380 V HN 0.555 nan 8.190 nan 0.000 0.447 381 N N 0.253 118.893 118.700 -0.100 0.000 2.149 381 N HA -0.157 4.583 4.740 -0.001 0.000 0.188 381 N C 1.784 177.291 175.510 -0.005 0.000 1.019 381 N CA 1.126 54.149 53.050 -0.044 0.000 0.857 381 N CB -0.274 38.179 38.487 -0.056 0.000 0.997 381 N HN 0.404 nan 8.380 nan 0.000 0.426 382 K N 1.041 121.421 120.400 -0.033 0.000 2.097 382 K HA -0.033 4.287 4.320 -0.001 0.000 0.205 382 K C 1.923 178.557 176.600 0.057 0.000 1.050 382 K CA 0.670 56.956 56.287 -0.003 0.000 0.938 382 K CB -0.295 32.184 32.500 -0.035 0.000 0.718 382 K HN 0.490 nan 8.250 nan 0.000 0.442 383 I N -2.263 118.380 120.570 0.122 0.000 3.883 383 I HA 0.272 4.442 4.170 -0.001 0.000 0.326 383 I C 0.526 176.793 176.117 0.250 0.000 1.283 383 I CA -0.475 60.936 61.300 0.186 0.000 1.161 383 I CB 0.207 38.362 38.000 0.258 0.000 1.012 383 I HN -0.245 nan 8.210 nan 0.000 0.421 384 A N 1.875 124.848 122.820 0.254 0.000 2.401 384 A HA 0.373 4.693 4.320 -0.001 0.000 0.259 384 A C 0.259 177.957 177.584 0.191 0.000 1.103 384 A CA -0.286 51.939 52.037 0.313 0.000 0.789 384 A CB 0.258 19.412 19.000 0.256 0.000 1.035 384 A HN 0.425 nan 8.150 nan 0.000 0.491 385 E N 3.022 123.324 120.200 0.171 0.000 2.318 385 E HA 0.167 4.516 4.350 -0.001 0.000 0.265 385 E C -1.512 175.144 176.600 0.095 0.000 1.069 385 E CA -1.623 54.835 56.400 0.096 0.000 0.893 385 E CB 0.695 30.428 29.700 0.055 0.000 1.076 385 E HN 0.504 nan 8.360 nan 0.000 0.414 386 P HA -0.149 nan 4.420 nan 0.000 0.222 386 P C 0.338 177.671 177.300 0.056 0.000 1.147 386 P CA 1.274 64.411 63.100 0.061 0.000 0.790 386 P CB 0.230 31.955 31.700 0.040 0.000 0.780 387 D N -0.973 119.449 120.400 0.036 0.000 2.463 387 D HA 0.235 4.875 4.640 -0.001 0.000 0.224 387 D C 0.470 176.770 176.300 0.000 0.000 1.174 387 D CA -0.715 53.292 54.000 0.011 0.000 0.829 387 D CB -0.516 40.273 40.800 -0.020 0.000 0.993 387 D HN 0.006 nan 8.370 nan 0.000 0.497 388 A N 0.573 123.412 122.820 0.030 0.000 2.507 388 A HA 0.363 4.682 4.320 -0.001 0.000 0.235 388 A C 0.245 177.773 177.584 -0.093 0.000 1.070 388 A CA -0.018 51.997 52.037 -0.037 0.000 0.768 388 A CB 0.128 19.123 19.000 -0.008 0.000 1.011 388 A HN 0.374 nan 8.150 nan 0.000 0.502 389 I N 0.757 121.245 120.570 -0.137 0.000 2.412 389 I HA 0.345 4.515 4.170 -0.001 0.000 0.296 389 I C -1.218 174.839 176.117 -0.100 0.000 0.987 389 I CA -0.268 61.007 61.300 -0.041 0.000 1.180 389 I CB 1.406 39.408 38.000 0.003 0.000 1.340 389 I HN 0.588 nan 8.210 nan 0.000 0.455 390 Y N 3.874 124.294 120.300 0.201 0.000 2.328 390 Y HA 0.350 4.900 4.550 -0.001 0.000 0.336 390 Y C 0.391 176.404 175.900 0.187 0.000 0.960 390 Y CA -0.608 57.622 58.100 0.217 0.000 1.134 390 Y CB 1.948 40.501 38.460 0.154 0.000 1.166 390 Y HN 0.404 nan 8.280 nan 0.000 0.464 391 S N 5.020 120.892 115.700 0.287 0.000 2.438 391 S HA 0.665 5.135 4.470 -0.001 0.000 0.293 391 S C -0.714 174.012 174.600 0.211 0.000 1.141 391 S CA -0.391 57.932 58.200 0.204 0.000 1.080 391 S CB -0.199 63.089 63.200 0.146 0.000 0.978 391 S HN 0.578 nan 8.310 nan 0.000 0.479 392 I N 4.121 124.802 120.570 0.186 0.000 2.474 392 I HA 0.355 4.525 4.170 -0.001 0.000 0.294 392 I C 0.552 176.733 176.117 0.107 0.000 1.005 392 I CA -0.811 60.587 61.300 0.163 0.000 1.113 392 I CB 1.802 39.925 38.000 0.204 0.000 1.289 392 I HN 0.614 nan 8.210 nan 0.000 0.436 393 D N 3.685 124.125 120.400 0.066 0.000 2.376 393 D HA 0.360 5.000 4.640 -0.001 0.000 0.281 393 D C -0.900 175.392 176.300 -0.012 0.000 1.215 393 D CA 0.035 54.052 54.000 0.028 0.000 1.062 393 D CB 1.515 42.328 40.800 0.021 0.000 1.124 393 D HN 0.085 nan 8.370 nan 0.000 0.550 394 V N -0.351 119.527 119.914 -0.060 0.000 2.531 394 V HA 0.671 4.791 4.120 -0.001 0.000 0.301 394 V C 0.705 176.660 176.094 -0.231 0.000 1.034 394 V CA 0.316 62.530 62.300 -0.143 0.000 0.865 394 V CB 0.903 32.656 31.823 -0.117 0.000 0.995 394 V HN 0.895 nan 8.190 nan 0.000 0.424 395 G N 3.848 112.378 108.800 -0.451 0.000 2.288 395 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.227 395 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.227 395 G C -0.097 174.518 174.900 -0.476 0.000 1.339 395 G CA 0.050 44.833 45.100 -0.529 0.000 1.057 395 G HN 0.425 nan 8.290 nan 0.000 0.470 396 D N -0.292 120.067 120.400 -0.068 0.000 2.218 396 D HA -0.055 4.585 4.640 -0.001 0.000 0.204 396 D C 2.363 178.589 176.300 -0.123 0.000 0.976 396 D CA 0.993 55.020 54.000 0.046 0.000 0.853 396 D CB 0.027 40.875 40.800 0.080 0.000 0.939 396 D HN 0.275 nan 8.370 nan 0.000 0.481 397 I N 1.326 121.754 120.570 -0.237 0.000 2.335 397 I HA -0.270 3.899 4.170 -0.001 0.000 0.251 397 I C 1.295 177.288 176.117 -0.206 0.000 1.129 397 I CA 1.370 62.476 61.300 -0.324 0.000 1.402 397 I CB -0.332 37.463 38.000 -0.341 0.000 1.069 397 I HN -0.041 nan 8.210 nan 0.000 0.424 398 N N 0.030 118.603 118.700 -0.211 0.000 2.142 398 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 398 N C 1.933 177.257 175.510 -0.310 0.000 1.023 398 N CA 1.480 54.368 53.050 -0.269 0.000 0.852 398 N CB -0.338 37.914 38.487 -0.393 0.000 0.998 398 N HN 0.401 nan 8.380 nan 0.000 0.424 399 L N 0.847 121.967 121.223 -0.172 0.000 2.027 399 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 399 L C 1.543 178.408 176.870 -0.008 0.000 1.074 399 L CA 1.326 56.129 54.840 -0.061 0.000 0.745 399 L CB -0.177 41.939 42.059 0.095 0.000 0.898 399 L HN 0.220 nan 8.230 nan 0.000 0.433 400 N N 0.237 118.943 118.700 0.009 0.000 2.171 400 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 400 N C 1.780 177.349 175.510 0.098 0.000 1.021 400 N CA 1.424 54.545 53.050 0.117 0.000 0.854 400 N CB -0.306 38.202 38.487 0.036 0.000 0.994 400 N HN 0.458 nan 8.380 nan 0.000 0.426 401 A N 1.075 123.877 122.820 -0.029 0.000 1.930 401 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 401 A C 2.132 179.702 177.584 -0.024 0.000 1.175 401 A CA 1.488 53.500 52.037 -0.042 0.000 0.627 401 A CB -0.676 18.290 19.000 -0.058 0.000 0.815 401 A HN 0.306 nan 8.150 nan 0.000 0.443 402 N N -0.290 118.411 118.700 0.002 0.000 2.166 402 N HA -0.138 4.601 4.740 -0.001 0.000 0.186 402 N C 1.840 177.367 175.510 0.029 0.000 1.019 402 N CA 1.695 54.782 53.050 0.062 0.000 0.856 402 N CB -0.208 38.290 38.487 0.019 0.000 0.993 402 N HN 0.527 nan 8.380 nan 0.000 0.426 403 R N -1.444 119.035 120.500 -0.035 0.000 2.080 403 R HA 0.068 4.408 4.340 -0.001 0.000 0.222 403 R C 1.615 177.715 176.300 -0.334 0.000 1.107 403 R CA 1.017 57.019 56.100 -0.165 0.000 0.980 403 R CB -0.201 29.922 30.300 -0.296 0.000 0.879 403 R HN 0.453 nan 8.270 nan 0.000 0.439 404 H N -0.063 118.978 119.070 -0.048 0.000 2.520 404 H HA 0.182 4.737 4.556 -0.001 0.000 0.279 404 H C 0.668 175.931 175.328 -0.109 0.000 0.990 404 H CA 0.160 56.158 56.048 -0.083 0.000 1.288 404 H CB 0.329 30.054 29.762 -0.061 0.000 1.446 404 H HN 0.017 nan 8.280 nan 0.000 0.538 405 L N 1.933 123.119 121.223 -0.063 0.000 2.426 405 L HA 0.093 4.432 4.340 -0.001 0.000 0.271 405 L C 0.316 177.105 176.870 -0.134 0.000 1.169 405 L CA 0.285 55.017 54.840 -0.181 0.000 0.836 405 L CB 0.654 42.480 42.059 -0.387 0.000 1.112 405 L HN -0.120 nan 8.230 nan 0.000 0.465 406 K N 4.782 125.115 120.400 -0.112 0.000 2.419 406 K HA 0.478 4.798 4.320 -0.001 0.000 0.244 406 K C -0.961 175.605 176.600 -0.057 0.000 1.045 406 K CA -0.232 56.018 56.287 -0.062 0.000 1.004 406 K CB 0.847 33.329 32.500 -0.031 0.000 1.376 406 K HN 0.419 nan 8.250 nan 0.000 0.460 407 L N 1.617 122.794 121.223 -0.076 0.000 2.360 407 L HA 0.501 4.841 4.340 -0.001 0.000 0.271 407 L C 0.807 177.662 176.870 -0.024 0.000 1.057 407 L CA -0.691 54.121 54.840 -0.046 0.000 0.803 407 L CB 1.497 43.500 42.059 -0.093 0.000 1.207 407 L HN 0.571 nan 8.230 nan 0.000 0.445 408 T N -2.704 111.855 114.554 0.008 0.000 2.883 408 T HA 0.423 4.773 4.350 -0.001 0.000 0.284 408 T C -2.258 172.448 174.700 0.009 0.000 1.041 408 T CA -1.916 60.185 62.100 0.001 0.000 1.007 408 T CB 1.745 70.620 68.868 0.012 0.000 1.220 408 T HN 0.245 nan 8.240 nan 0.000 0.552 409 P HA -0.035 nan 4.420 nan 0.000 0.220 409 P C 1.456 178.763 177.300 0.013 0.000 1.144 409 P CA 0.918 64.019 63.100 0.002 0.000 0.800 409 P CB -0.118 31.572 31.700 -0.017 0.000 0.772 410 S N -1.521 114.188 115.700 0.014 0.000 2.453 410 S HA -0.036 4.433 4.470 -0.001 0.000 0.231 410 S C 0.861 175.473 174.600 0.020 0.000 1.005 410 S CA 0.594 58.800 58.200 0.011 0.000 0.949 410 S CB -0.855 62.352 63.200 0.012 0.000 0.774 410 S HN 0.349 nan 8.310 nan 0.000 0.510 411 N N 0.957 119.693 118.700 0.060 0.000 2.445 411 N HA 0.354 5.094 4.740 -0.001 0.000 0.264 411 N C -0.135 175.444 175.510 0.116 0.000 1.227 411 N CA -0.265 52.851 53.050 0.110 0.000 0.963 411 N CB 0.505 39.109 38.487 0.195 0.000 1.188 411 N HN -0.050 nan 8.380 nan 0.000 0.491 412 R N 0.519 121.111 120.500 0.153 0.000 2.686 412 R HA 0.368 4.708 4.340 -0.001 0.000 0.283 412 R C -1.195 175.285 176.300 0.301 0.000 0.978 412 R CA -0.817 55.380 56.100 0.161 0.000 0.897 412 R CB 1.121 31.462 30.300 0.068 0.000 1.192 412 R HN 0.913 nan 8.270 nan 0.000 0.457 413 H N -0.215 118.928 119.070 0.123 0.000 2.806 413 H HA 0.792 5.348 4.556 -0.001 0.000 0.367 413 H C -0.348 175.027 175.328 0.077 0.000 1.136 413 H CA -1.045 55.094 56.048 0.151 0.000 1.178 413 H CB 1.821 31.652 29.762 0.114 0.000 1.718 413 H HN 0.550 nan 8.280 nan 0.000 0.540 414 I N -0.204 120.409 120.570 0.071 0.000 2.769 414 I HA 0.804 4.973 4.170 -0.001 0.000 0.298 414 I C -0.944 175.204 176.117 0.052 0.000 1.128 414 I CA -0.791 60.496 61.300 -0.021 0.000 1.031 414 I CB 2.576 40.589 38.000 0.022 0.000 1.235 414 I HN 0.784 nan 8.210 nan 0.000 0.423 415 T N 1.283 115.852 114.554 0.025 0.000 2.671 415 T HA 0.347 4.697 4.350 -0.001 0.000 0.300 415 T C -1.146 173.587 174.700 0.055 0.000 1.238 415 T CA -0.438 61.708 62.100 0.076 0.000 1.020 415 T CB 1.932 70.891 68.868 0.153 0.000 1.503 415 T HN 0.767 nan 8.240 nan 0.000 0.497 416 S N 1.776 117.521 115.700 0.075 0.000 2.485 416 S HA 0.240 4.709 4.470 -0.001 0.000 0.312 416 S C 1.013 175.675 174.600 0.102 0.000 1.102 416 S CA -0.588 57.666 58.200 0.088 0.000 1.066 416 S CB -0.592 62.673 63.200 0.108 0.000 1.102 416 S HN 0.541 nan 8.310 nan 0.000 0.519 417 N N 3.794 122.545 118.700 0.085 0.000 2.142 417 N HA -0.043 4.697 4.740 -0.001 0.000 0.186 417 N C 1.206 176.797 175.510 0.136 0.000 1.023 417 N CA 1.016 54.132 53.050 0.110 0.000 0.852 417 N CB -0.224 38.295 38.487 0.054 0.000 0.998 417 N HN 0.566 nan 8.380 nan 0.000 0.424 418 L N -1.487 119.812 121.223 0.126 0.000 2.600 418 L HA 0.302 4.642 4.340 -0.001 0.000 0.213 418 L C 1.559 178.530 176.870 0.167 0.000 1.045 418 L CA 0.408 55.323 54.840 0.125 0.000 0.863 418 L CB -0.599 41.527 42.059 0.112 0.000 1.189 418 L HN -0.100 nan 8.230 nan 0.000 0.484 419 F N 2.157 122.131 119.950 0.040 0.000 2.234 419 F HA 0.210 4.736 4.527 -0.001 0.000 0.299 419 F C 1.570 177.387 175.800 0.028 0.000 1.087 419 F CA 0.646 58.672 58.000 0.042 0.000 1.340 419 F CB -0.401 38.641 39.000 0.070 0.000 1.031 419 F HN 0.212 nan 8.300 nan 0.000 0.500 420 A N 1.136 123.994 122.820 0.062 0.000 2.519 420 A HA -0.247 4.073 4.320 -0.001 0.000 0.297 420 A C 0.707 178.211 177.584 -0.134 0.000 1.472 420 A CA 0.973 52.995 52.037 -0.025 0.000 0.739 420 A CB -2.568 16.413 19.000 -0.032 0.000 1.096 420 A HN 0.469 nan 8.150 nan 0.000 0.414 421 T N 1.001 115.512 114.554 -0.072 0.000 2.794 421 T HA 0.541 4.891 4.350 -0.001 0.000 0.296 421 T C 0.710 175.386 174.700 -0.040 0.000 0.949 421 T CA -0.146 61.899 62.100 -0.091 0.000 1.101 421 T CB -0.052 68.876 68.868 0.100 0.000 0.905 421 T HN 0.472 nan 8.240 nan 0.000 0.516 422 M N 3.627 123.184 119.600 -0.072 0.000 2.232 422 M HA 0.350 4.829 4.480 -0.001 0.000 0.321 422 M C 1.683 177.970 176.300 -0.023 0.000 1.101 422 M CA 1.236 56.509 55.300 -0.046 0.000 1.181 422 M CB 0.380 32.947 32.600 -0.054 0.000 1.432 422 M HN 0.996 nan 8.290 nan 0.000 0.457 423 G N -0.200 108.593 108.800 -0.011 0.000 2.195 423 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.246 423 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.246 423 G C 0.460 175.355 174.900 -0.009 0.000 0.984 423 G CA 0.349 45.440 45.100 -0.015 0.000 0.633 423 G HN 0.829 nan 8.290 nan 0.000 0.525 424 V N -0.462 119.456 119.914 0.007 0.000 3.141 424 V HA 0.361 4.480 4.120 -0.001 0.000 0.265 424 V C 2.537 178.645 176.094 0.023 0.000 1.126 424 V CA 1.957 64.265 62.300 0.014 0.000 1.141 424 V CB -0.897 30.945 31.823 0.033 0.000 0.743 424 V HN 0.868 nan 8.190 nan 0.000 0.492 425 G N 1.094 109.914 108.800 0.032 0.000 2.459 425 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 425 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 425 G C 1.485 176.411 174.900 0.045 0.000 1.183 425 G CA 1.385 46.518 45.100 0.055 0.000 0.776 425 G HN 0.528 nan 8.290 nan 0.000 0.552 426 I N 1.855 122.438 120.570 0.023 0.000 2.142 426 I HA -0.093 4.076 4.170 -0.001 0.000 0.240 426 I C 0.069 176.184 176.117 -0.003 0.000 1.078 426 I CA 1.093 62.402 61.300 0.015 0.000 1.343 426 I CB -0.717 37.287 38.000 0.008 0.000 1.046 426 I HN 0.179 nan 8.210 nan 0.000 0.405 427 P HA -0.145 nan 4.420 nan 0.000 0.216 427 P C 1.613 178.885 177.300 -0.047 0.000 1.150 427 P CA 2.003 65.058 63.100 -0.074 0.000 0.837 427 P CB -0.287 31.346 31.700 -0.112 0.000 0.786 428 G N 0.411 109.208 108.800 -0.004 0.000 2.422 428 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.218 428 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.218 428 G C 1.786 176.718 174.900 0.053 0.000 1.146 428 G CA 0.971 46.089 45.100 0.030 0.000 0.769 428 G HN 0.368 nan 8.290 nan 0.000 0.547 429 A N 0.485 123.336 122.820 0.053 0.000 1.929 429 A HA 0.177 4.497 4.320 -0.001 0.000 0.216 429 A C 2.361 179.967 177.584 0.037 0.000 1.176 429 A CA 0.895 52.965 52.037 0.056 0.000 0.628 429 A CB -0.254 18.780 19.000 0.056 0.000 0.816 429 A HN 0.361 nan 8.150 nan 0.000 0.444 430 I N -0.192 120.390 120.570 0.020 0.000 2.142 430 I HA -0.289 3.881 4.170 -0.001 0.000 0.240 430 I C 3.000 179.132 176.117 0.025 0.000 1.078 430 I CA 1.148 62.457 61.300 0.015 0.000 1.343 430 I CB -0.323 37.678 38.000 0.002 0.000 1.046 430 I HN 0.353 nan 8.210 nan 0.000 0.405 431 A N 0.649 123.497 122.820 0.048 0.000 1.902 431 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 431 A C 2.525 180.156 177.584 0.078 0.000 1.181 431 A CA 1.938 54.037 52.037 0.103 0.000 0.623 431 A CB -0.891 18.177 19.000 0.112 0.000 0.818 431 A HN 0.452 nan 8.150 nan 0.000 0.443 432 A N -0.446 122.433 122.820 0.099 0.000 1.877 432 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 432 A C 2.094 179.764 177.584 0.143 0.000 1.186 432 A CA 2.352 54.491 52.037 0.170 0.000 0.620 432 A CB -0.405 18.692 19.000 0.161 0.000 0.822 432 A HN 0.387 nan 8.150 nan 0.000 0.443 433 K N -0.132 120.307 120.400 0.064 0.000 2.148 433 K HA 0.090 4.409 4.320 -0.001 0.000 0.204 433 K C 1.728 178.307 176.600 -0.035 0.000 1.050 433 K CA 0.981 57.286 56.287 0.030 0.000 0.942 433 K CB -0.537 31.969 32.500 0.009 0.000 0.724 433 K HN 0.500 nan 8.250 nan 0.000 0.446 434 L N 0.570 121.727 121.223 -0.110 0.000 2.083 434 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 434 L C 1.786 178.507 176.870 -0.250 0.000 1.083 434 L CA 1.125 55.807 54.840 -0.262 0.000 0.752 434 L CB -0.387 41.340 42.059 -0.553 0.000 0.899 434 L HN 0.253 nan 8.230 nan 0.000 0.433 435 N N -0.928 117.638 118.700 -0.224 0.000 2.333 435 N HA -0.077 4.663 4.740 -0.001 0.000 0.178 435 N C -0.168 174.980 175.510 -0.604 0.000 1.018 435 N CA 0.986 53.785 53.050 -0.418 0.000 0.882 435 N CB 0.276 38.400 38.487 -0.606 0.000 0.984 435 N HN 0.272 nan 8.380 nan 0.000 0.434 436 Y N 0.164 120.470 120.300 0.010 0.000 2.584 436 Y HA 0.333 4.883 4.550 -0.001 0.000 0.358 436 Y C -1.808 174.085 175.900 -0.011 0.000 1.028 436 Y CA -2.039 56.065 58.100 0.007 0.000 1.148 436 Y CB 1.367 39.835 38.460 0.014 0.000 1.126 436 Y HN -0.023 nan 8.280 nan 0.000 0.658 437 P HA -0.183 nan 4.420 nan 0.000 0.225 437 P C 0.987 178.309 177.300 0.036 0.000 1.148 437 P CA 1.450 64.570 63.100 0.034 0.000 0.779 437 P CB 0.509 32.210 31.700 0.003 0.000 0.780 438 E N -0.460 119.778 120.200 0.062 0.000 2.447 438 E HA 0.021 4.370 4.350 -0.001 0.000 0.195 438 E C 0.672 177.286 176.600 0.023 0.000 1.028 438 E CA 0.244 56.666 56.400 0.037 0.000 0.876 438 E CB -0.108 29.620 29.700 0.047 0.000 0.885 438 E HN 0.195 nan 8.360 nan 0.000 0.500 439 R N 1.240 121.766 120.500 0.043 0.000 2.457 439 R HA 0.253 4.592 4.340 -0.001 0.000 0.284 439 R C 0.219 176.496 176.300 -0.037 0.000 1.024 439 R CA -0.507 55.590 56.100 -0.004 0.000 1.025 439 R CB 1.145 31.427 30.300 -0.029 0.000 1.063 439 R HN 0.182 nan 8.270 nan 0.000 0.493 440 Q N 1.663 121.419 119.800 -0.075 0.000 2.332 440 Q HA 0.208 4.548 4.340 -0.001 0.000 0.263 440 Q C -1.120 174.773 176.000 -0.177 0.000 0.979 440 Q CA -0.038 55.673 55.803 -0.153 0.000 0.885 440 Q CB 0.996 29.646 28.738 -0.146 0.000 1.218 440 Q HN 0.282 nan 8.270 nan 0.000 0.405 441 V N 5.201 124.966 119.914 -0.247 0.000 2.588 441 V HA 0.472 4.592 4.120 -0.001 0.000 0.304 441 V C -0.957 174.983 176.094 -0.257 0.000 1.042 441 V CA -0.607 61.597 62.300 -0.159 0.000 0.877 441 V CB 1.365 33.156 31.823 -0.053 0.000 0.996 441 V HN 0.657 nan 8.190 nan 0.000 0.425 442 F N 2.699 122.576 119.950 -0.121 0.000 2.507 442 F HA 0.584 5.111 4.527 -0.001 0.000 0.327 442 F C 0.260 176.101 175.800 0.068 0.000 1.068 442 F CA -0.625 57.366 58.000 -0.015 0.000 0.965 442 F CB 1.881 40.894 39.000 0.022 0.000 1.192 442 F HN 0.523 nan 8.300 nan 0.000 0.476 443 N N 2.919 121.796 118.700 0.295 0.000 2.483 443 N HA 0.442 5.182 4.740 -0.001 0.000 0.267 443 N C -2.006 173.664 175.510 0.267 0.000 0.998 443 N CA -0.362 52.820 53.050 0.221 0.000 0.918 443 N CB 0.718 39.279 38.487 0.123 0.000 1.215 443 N HN 0.565 nan 8.380 nan 0.000 0.500 444 L N 2.341 123.734 121.223 0.283 0.000 2.305 444 L HA 0.897 5.237 4.340 -0.001 0.000 0.284 444 L C -0.259 176.739 176.870 0.214 0.000 1.013 444 L CA -0.945 54.094 54.840 0.332 0.000 0.819 444 L CB 1.357 43.603 42.059 0.313 0.000 1.227 444 L HN 0.662 nan 8.230 nan 0.000 0.417 445 A N 2.146 125.111 122.820 0.242 0.000 2.549 445 A HA 0.802 5.122 4.320 -0.001 0.000 0.297 445 A C -0.175 177.511 177.584 0.169 0.000 1.061 445 A CA -0.331 51.778 52.037 0.120 0.000 0.690 445 A CB 1.598 20.624 19.000 0.044 0.000 1.287 445 A HN 0.705 nan 8.150 nan 0.000 0.402 446 G N 0.098 108.949 108.800 0.086 0.000 2.599 446 G HA2 0.402 4.362 3.960 -0.001 0.000 0.264 446 G HA3 0.402 4.362 3.960 -0.001 0.000 0.264 446 G C 0.416 175.371 174.900 0.092 0.000 1.200 446 G CA 0.385 45.560 45.100 0.125 0.000 0.896 446 G HN 0.840 nan 8.290 nan 0.000 0.536 447 D N -0.232 120.249 120.400 0.136 0.000 2.178 447 D HA -0.082 4.558 4.640 -0.001 0.000 0.201 447 D C 2.140 178.586 176.300 0.244 0.000 0.980 447 D CA 1.325 55.424 54.000 0.165 0.000 0.842 447 D CB -0.812 40.173 40.800 0.307 0.000 0.948 447 D HN 0.461 nan 8.370 nan 0.000 0.472 448 G N 0.439 109.428 108.800 0.315 0.000 2.402 448 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.216 448 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.216 448 G C 1.709 176.749 174.900 0.233 0.000 1.162 448 G CA 0.823 46.142 45.100 0.365 0.000 0.777 448 G HN 0.481 nan 8.290 nan 0.000 0.539 449 G N 1.028 109.924 108.800 0.160 0.000 2.404 449 G HA2 0.099 4.059 3.960 -0.001 0.000 0.215 449 G HA3 0.099 4.059 3.960 -0.001 0.000 0.215 449 G C 2.060 176.989 174.900 0.049 0.000 1.174 449 G CA 1.447 46.592 45.100 0.074 0.000 0.780 449 G HN 0.611 nan 8.290 nan 0.000 0.537 450 A N 1.296 124.126 122.820 0.016 0.000 1.972 450 A HA -0.020 4.300 4.320 -0.001 0.000 0.219 450 A C 2.681 180.348 177.584 0.138 0.000 1.169 450 A CA 2.457 54.475 52.037 -0.031 0.000 0.635 450 A CB -0.607 18.184 19.000 -0.348 0.000 0.810 450 A HN 0.673 nan 8.150 nan 0.000 0.446 451 S N -0.653 115.201 115.700 0.257 0.000 2.453 451 S HA -0.051 4.419 4.470 -0.001 0.000 0.231 451 S C 1.869 176.525 174.600 0.094 0.000 1.005 451 S CA 1.243 59.603 58.200 0.266 0.000 0.949 451 S CB -0.538 62.788 63.200 0.209 0.000 0.774 451 S HN 0.516 nan 8.310 nan 0.000 0.510 452 M N 2.038 121.668 119.600 0.050 0.000 2.213 452 M HA -0.055 4.425 4.480 -0.001 0.000 0.263 452 M C 1.451 177.708 176.300 -0.072 0.000 1.062 452 M CA 1.664 56.952 55.300 -0.020 0.000 1.105 452 M CB -0.600 31.982 32.600 -0.030 0.000 1.385 452 M HN 0.626 nan 8.290 nan 0.000 0.417 453 T N -3.424 111.109 114.554 -0.036 0.000 3.252 453 T HA 0.288 4.637 4.350 -0.001 0.000 0.286 453 T C 1.088 175.790 174.700 0.003 0.000 1.013 453 T CA -0.421 61.641 62.100 -0.063 0.000 0.914 453 T CB -0.411 68.416 68.868 -0.069 0.000 1.131 453 T HN 0.416 nan 8.240 nan 0.000 0.529 454 M N 0.966 120.602 119.600 0.060 0.000 2.267 454 M HA -0.132 4.348 4.480 -0.001 0.000 0.263 454 M C 2.261 178.600 176.300 0.065 0.000 1.063 454 M CA 1.576 56.950 55.300 0.122 0.000 1.090 454 M CB -0.712 32.015 32.600 0.210 0.000 1.392 454 M HN 0.218 nan 8.290 nan 0.000 0.422 455 Q N 0.828 120.646 119.800 0.030 0.000 2.226 455 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 455 Q C 0.602 176.618 176.000 0.027 0.000 0.975 455 Q CA 1.782 57.599 55.803 0.023 0.000 0.866 455 Q CB -1.003 27.753 28.738 0.029 0.000 0.915 455 Q HN 0.650 nan 8.270 nan 0.000 0.440 456 D N 0.584 120.999 120.400 0.025 0.000 2.319 456 D HA 0.123 4.763 4.640 -0.001 0.000 0.230 456 D C 1.580 177.898 176.300 0.030 0.000 1.094 456 D CA -0.053 53.963 54.000 0.027 0.000 0.856 456 D CB 0.242 41.049 40.800 0.012 0.000 0.915 456 D HN 0.286 nan 8.370 nan 0.000 0.517 457 L N 0.093 121.337 121.223 0.034 0.000 2.131 457 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 457 L C 2.463 179.345 176.870 0.020 0.000 1.092 457 L CA 0.494 55.354 54.840 0.033 0.000 0.759 457 L CB -0.238 41.851 42.059 0.049 0.000 0.903 457 L HN -0.022 nan 8.230 nan 0.000 0.435 458 V N -0.393 119.529 119.914 0.013 0.000 2.626 458 V HA -0.258 3.861 4.120 -0.001 0.000 0.252 458 V C 2.394 178.496 176.094 0.013 0.000 1.067 458 V CA 2.314 64.615 62.300 0.001 0.000 1.081 458 V CB -0.186 31.634 31.823 -0.004 0.000 0.686 458 V HN 0.523 nan 8.190 nan 0.000 0.468 459 T N -0.382 114.205 114.554 0.055 0.000 2.833 459 T HA -0.225 4.124 4.350 -0.001 0.000 0.269 459 T C 1.759 176.539 174.700 0.133 0.000 1.054 459 T CA 1.719 63.902 62.100 0.139 0.000 1.135 459 T CB -0.196 68.750 68.868 0.131 0.000 0.869 459 T HN 0.609 nan 8.240 nan 0.000 0.466 460 Q N 0.262 120.098 119.800 0.061 0.000 2.084 460 Q HA -0.067 4.273 4.340 -0.001 0.000 0.202 460 Q C 2.550 178.544 176.000 -0.010 0.000 0.978 460 Q CA 1.147 56.972 55.803 0.038 0.000 0.844 460 Q CB -0.342 28.411 28.738 0.025 0.000 0.898 460 Q HN 0.373 nan 8.270 nan 0.000 0.426 461 V N 0.686 120.577 119.914 -0.039 0.000 2.283 461 V HA -0.279 3.841 4.120 -0.001 0.000 0.243 461 V C 2.288 178.216 176.094 -0.276 0.000 1.039 461 V CA 2.050 64.296 62.300 -0.090 0.000 1.016 461 V CB -0.681 31.122 31.823 -0.033 0.000 0.650 461 V HN 0.379 nan 8.190 nan 0.000 0.449 462 Q N -0.692 118.949 119.800 -0.266 0.000 2.135 462 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 462 Q C 1.630 177.163 176.000 -0.778 0.000 0.981 462 Q CA 2.133 57.646 55.803 -0.483 0.000 0.856 462 Q CB -0.085 28.398 28.738 -0.426 0.000 0.902 462 Q HN 0.764 nan 8.270 nan 0.000 0.425 463 Y N -0.717 119.403 120.300 -0.300 0.000 2.524 463 Y HA 0.182 4.731 4.550 -0.001 0.000 0.266 463 Y C -0.688 175.114 175.900 -0.162 0.000 1.180 463 Y CA 0.007 57.978 58.100 -0.214 0.000 1.244 463 Y CB 0.095 38.489 38.460 -0.110 0.000 1.125 463 Y HN 0.221 nan 8.280 nan 0.000 0.524 464 H N -0.531 118.568 119.070 0.049 0.000 2.680 464 H HA -0.164 4.391 4.556 -0.001 0.000 0.328 464 H C -0.924 174.427 175.328 0.038 0.000 1.139 464 H CA 0.281 56.349 56.048 0.032 0.000 1.124 464 H CB -1.901 27.871 29.762 0.017 0.000 1.584 464 H HN 0.278 nan 8.280 nan 0.000 0.410 465 L N 1.960 123.232 121.223 0.082 0.000 2.313 465 L HA 0.320 4.659 4.340 -0.001 0.000 0.273 465 L C -2.027 174.860 176.870 0.028 0.000 1.028 465 L CA -1.935 52.936 54.840 0.051 0.000 0.871 465 L CB 1.055 43.138 42.059 0.041 0.000 1.242 465 L HN 0.012 nan 8.230 nan 0.000 0.434 466 P HA 0.055 nan 4.420 nan 0.000 0.259 466 P C -0.244 177.024 177.300 -0.055 0.000 1.635 466 P CA 0.152 63.244 63.100 -0.013 0.000 1.199 466 P CB 0.210 31.896 31.700 -0.024 0.000 1.850 467 V N 4.462 124.348 119.914 -0.048 0.000 2.617 467 V HA 0.289 4.409 4.120 -0.001 0.000 0.298 467 V C 0.771 176.804 176.094 -0.102 0.000 1.048 467 V CA -0.689 61.565 62.300 -0.077 0.000 0.964 467 V CB 1.657 33.466 31.823 -0.023 0.000 1.004 467 V HN 0.281 nan 8.190 nan 0.000 0.466 468 I N 4.756 125.212 120.570 -0.190 0.000 2.291 468 I HA 0.282 4.451 4.170 -0.001 0.000 0.290 468 I C 0.084 176.208 176.117 0.011 0.000 1.050 468 I CA -0.088 61.122 61.300 -0.150 0.000 1.245 468 I CB 0.244 38.024 38.000 -0.367 0.000 1.405 468 I HN 0.595 nan 8.210 nan 0.000 0.478 469 N N 6.615 125.333 118.700 0.029 0.000 2.426 469 N HA 0.366 5.105 4.740 -0.001 0.000 0.275 469 N C -0.859 174.684 175.510 0.054 0.000 1.019 469 N CA -0.329 52.758 53.050 0.060 0.000 0.941 469 N CB 2.718 41.220 38.487 0.025 0.000 1.123 469 N HN 0.193 nan 8.380 nan 0.000 0.486 470 V N 2.675 122.650 119.914 0.102 0.000 2.407 470 V HA 0.295 4.415 4.120 -0.001 0.000 0.291 470 V C 0.104 176.189 176.094 -0.015 0.000 1.018 470 V CA -0.809 61.504 62.300 0.022 0.000 0.842 470 V CB 1.809 33.705 31.823 0.122 0.000 0.996 470 V HN 0.291 nan 8.190 nan 0.000 0.426 471 V N 5.208 125.034 119.914 -0.146 0.000 2.427 471 V HA 0.474 4.594 4.120 -0.001 0.000 0.286 471 V C -0.527 175.466 176.094 -0.170 0.000 1.034 471 V CA -0.423 61.791 62.300 -0.144 0.000 0.893 471 V CB 1.535 33.109 31.823 -0.415 0.000 0.982 471 V HN 0.685 nan 8.190 nan 0.000 0.452 472 F N 2.288 122.208 119.950 -0.051 0.000 2.334 472 F HA 0.330 4.857 4.527 -0.001 0.000 0.365 472 F C 1.029 176.825 175.800 -0.006 0.000 1.124 472 F CA -0.310 57.678 58.000 -0.020 0.000 1.166 472 F CB 0.769 39.757 39.000 -0.020 0.000 1.355 472 F HN 0.342 nan 8.300 nan 0.000 0.532 473 T N 3.194 117.809 114.554 0.101 0.000 2.747 473 T HA 0.111 4.460 4.350 -0.001 0.000 0.301 473 T C 0.896 175.638 174.700 0.071 0.000 0.952 473 T CA -0.435 61.735 62.100 0.116 0.000 0.983 473 T CB 0.069 69.017 68.868 0.133 0.000 0.930 473 T HN 0.531 nan 8.240 nan 0.000 0.494 474 N N 0.294 119.021 118.700 0.045 0.000 2.184 474 N HA 0.064 4.804 4.740 -0.001 0.000 0.206 474 N C 0.379 175.811 175.510 -0.130 0.000 1.151 474 N CA -0.436 52.593 53.050 -0.035 0.000 0.878 474 N CB -0.513 37.947 38.487 -0.045 0.000 1.014 474 N HN 0.552 nan 8.380 nan 0.000 0.512 475 C N 0.879 120.102 119.300 -0.129 0.000 4.350 475 C HA -0.158 4.301 4.460 -0.001 0.000 0.302 475 C C -0.380 173.993 174.990 -1.029 0.000 1.390 475 C CA 0.490 59.304 59.018 -0.340 0.000 2.016 475 C CB -2.929 24.713 27.740 -0.163 0.000 1.271 475 C HN 0.615 nan 8.230 nan 0.000 0.760 476 Q N -2.473 116.684 119.800 -1.071 0.000 2.482 476 Q HA 0.471 4.810 4.340 -0.001 0.000 0.286 476 Q C -1.145 174.551 176.000 -0.507 0.000 1.007 476 Q CA -0.779 54.441 55.803 -0.972 0.000 0.801 476 Q CB 1.326 29.809 28.738 -0.426 0.000 1.455 476 Q HN 0.267 nan 8.270 nan 0.000 0.398 477 Y N 0.887 121.111 120.300 -0.127 0.000 2.821 477 Y HA 0.246 4.796 4.550 -0.001 0.000 0.331 477 Y C 1.203 177.120 175.900 0.027 0.000 1.251 477 Y CA -0.351 57.816 58.100 0.111 0.000 1.494 477 Y CB 0.320 38.894 38.460 0.189 0.000 1.493 477 Y HN 0.949 nan 8.280 nan 0.000 0.496 478 G N 1.093 109.976 108.800 0.137 0.000 2.418 478 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.217 478 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.217 478 G C 1.596 176.576 174.900 0.134 0.000 1.158 478 G CA 0.409 45.547 45.100 0.063 0.000 0.771 478 G HN 0.541 nan 8.290 nan 0.000 0.545 479 F N 1.223 121.195 119.950 0.037 0.000 2.120 479 F HA -0.110 4.417 4.527 -0.001 0.000 0.300 479 F C 2.408 178.230 175.800 0.037 0.000 1.095 479 F CA 1.062 59.078 58.000 0.028 0.000 1.249 479 F CB 0.119 39.132 39.000 0.021 0.000 0.995 479 F HN 0.026 nan 8.300 nan 0.000 0.480 480 I N -0.132 120.557 120.570 0.199 0.000 2.500 480 I HA -0.185 3.985 4.170 -0.001 0.000 0.252 480 I C 2.273 178.435 176.117 0.075 0.000 1.142 480 I CA 1.010 62.380 61.300 0.116 0.000 1.451 480 I CB -1.477 36.609 38.000 0.143 0.000 1.093 480 I HN 0.146 nan 8.210 nan 0.000 0.430 481 K N 1.269 121.689 120.400 0.034 0.000 2.063 481 K HA -0.215 4.104 4.320 -0.001 0.000 0.208 481 K C 1.534 178.146 176.600 0.020 0.000 1.048 481 K CA 1.780 58.021 56.287 -0.077 0.000 0.928 481 K CB 0.072 32.382 32.500 -0.317 0.000 0.713 481 K HN 0.185 nan 8.250 nan 0.000 0.442 482 D N 0.738 121.133 120.400 -0.008 0.000 2.178 482 D HA -0.126 4.514 4.640 -0.001 0.000 0.202 482 D C 1.667 177.976 176.300 0.016 0.000 0.974 482 D CA 1.040 55.049 54.000 0.015 0.000 0.841 482 D CB -0.028 40.744 40.800 -0.047 0.000 0.953 482 D HN 0.406 nan 8.370 nan 0.000 0.478 483 E N 0.624 120.806 120.200 -0.030 0.000 2.051 483 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 483 E C 2.143 178.779 176.600 0.060 0.000 0.991 483 E CA 0.757 57.147 56.400 -0.017 0.000 0.799 483 E CB -0.058 29.621 29.700 -0.035 0.000 0.748 483 E HN 0.364 nan 8.360 nan 0.000 0.449 484 Q N 0.464 120.344 119.800 0.134 0.000 2.124 484 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 484 Q C 2.148 178.248 176.000 0.166 0.000 0.977 484 Q CA 1.058 56.968 55.803 0.177 0.000 0.850 484 Q CB -0.056 28.872 28.738 0.318 0.000 0.901 484 Q HN 0.317 nan 8.270 nan 0.000 0.429 485 E N 0.740 121.116 120.200 0.293 0.000 2.077 485 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 485 E C 1.007 177.651 176.600 0.074 0.000 0.989 485 E CA 1.321 57.842 56.400 0.201 0.000 0.800 485 E CB 0.206 30.088 29.700 0.302 0.000 0.746 485 E HN 0.302 nan 8.360 nan 0.000 0.452 486 D N -0.822 119.617 120.400 0.065 0.000 2.194 486 D HA -0.082 4.557 4.640 -0.001 0.000 0.204 486 D C 1.889 178.197 176.300 0.014 0.000 0.964 486 D CA 1.771 55.790 54.000 0.031 0.000 0.846 486 D CB 0.097 40.906 40.800 0.015 0.000 0.962 486 D HN 0.361 nan 8.370 nan 0.000 0.490 487 T N -2.977 111.586 114.554 0.014 0.000 2.978 487 T HA 0.114 4.464 4.350 -0.001 0.000 0.248 487 T C 0.710 175.408 174.700 -0.004 0.000 1.018 487 T CA -0.421 61.682 62.100 0.005 0.000 1.026 487 T CB 0.176 69.050 68.868 0.009 0.000 1.032 487 T HN -0.211 nan 8.240 nan 0.000 0.485 488 N N 2.271 120.966 118.700 -0.008 0.000 2.499 488 N HA 0.341 5.081 4.740 -0.001 0.000 0.281 488 N C 0.932 176.409 175.510 -0.055 0.000 1.098 488 N CA -0.462 52.574 53.050 -0.023 0.000 0.979 488 N CB 1.268 39.747 38.487 -0.013 0.000 1.121 488 N HN 0.125 nan 8.380 nan 0.000 0.466 489 Q N 0.463 120.236 119.800 -0.045 0.000 2.187 489 Q HA 0.118 4.457 4.340 -0.001 0.000 0.199 489 Q C -0.074 175.884 176.000 -0.071 0.000 0.957 489 Q CA 1.135 56.907 55.803 -0.052 0.000 0.857 489 Q CB -0.022 28.696 28.738 -0.033 0.000 0.929 489 Q HN 0.533 nan 8.270 nan 0.000 0.453 490 N N 1.232 119.892 118.700 -0.067 0.000 2.530 490 N HA 0.117 4.857 4.740 -0.001 0.000 0.283 490 N C -0.389 175.048 175.510 -0.121 0.000 1.238 490 N CA -0.468 52.539 53.050 -0.072 0.000 0.971 490 N CB 0.571 39.037 38.487 -0.035 0.000 1.195 490 N HN -0.048 nan 8.380 nan 0.000 0.583 491 D N 0.243 120.578 120.400 -0.108 0.000 2.400 491 D HA 0.059 4.698 4.640 -0.001 0.000 0.238 491 D C 0.189 176.442 176.300 -0.078 0.000 1.157 491 D CA 0.346 54.256 54.000 -0.151 0.000 0.889 491 D CB 0.198 40.966 40.800 -0.053 0.000 1.199 491 D HN 0.182 nan 8.370 nan 0.000 0.436 492 F N 0.817 120.777 119.950 0.017 0.000 2.635 492 F HA 0.052 4.578 4.527 -0.001 0.000 0.379 492 F C 0.993 176.813 175.800 0.033 0.000 1.094 492 F CA 0.391 58.405 58.000 0.024 0.000 1.300 492 F CB -0.147 38.863 39.000 0.016 0.000 1.035 492 F HN 0.103 nan 8.300 nan 0.000 0.581 493 I N 1.460 122.177 120.570 0.245 0.000 2.644 493 I HA 0.488 4.658 4.170 -0.001 0.000 0.291 493 I C 0.378 176.596 176.117 0.169 0.000 1.180 493 I CA -0.209 61.189 61.300 0.163 0.000 1.040 493 I CB 1.802 39.871 38.000 0.114 0.000 1.255 493 I HN 0.671 nan 8.210 nan 0.000 0.422 494 G N 4.451 113.349 108.800 0.164 0.000 2.155 494 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.257 494 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.257 494 G C 0.373 175.449 174.900 0.292 0.000 0.983 494 G CA 0.660 45.889 45.100 0.214 0.000 0.676 494 G HN 1.333 nan 8.290 nan 0.000 0.528 495 V N -3.721 116.302 119.914 0.181 0.000 3.556 495 V HA 0.537 4.656 4.120 -0.001 0.000 0.287 495 V C 0.456 176.442 176.094 -0.181 0.000 1.422 495 V CA 0.669 63.043 62.300 0.123 0.000 1.038 495 V CB 0.370 32.226 31.823 0.055 0.000 0.850 495 V HN 0.343 nan 8.190 nan 0.000 0.437 496 E N 1.396 121.490 120.200 -0.177 0.000 2.222 496 E HA 0.718 5.068 4.350 -0.001 0.000 0.267 496 E C -1.215 175.283 176.600 -0.170 0.000 0.884 496 E CA -0.626 55.567 56.400 -0.345 0.000 0.764 496 E CB 2.463 32.036 29.700 -0.211 0.000 1.169 496 E HN 0.459 nan 8.360 nan 0.000 0.413 497 F N -0.979 118.903 119.950 -0.113 0.000 2.789 497 F HA 0.488 5.014 4.527 -0.001 0.000 0.319 497 F C -0.753 175.002 175.800 -0.074 0.000 1.168 497 F CA -1.676 56.264 58.000 -0.099 0.000 0.934 497 F CB 0.189 39.090 39.000 -0.165 0.000 1.375 497 F HN 0.102 nan 8.300 nan 0.000 0.480 498 N N 0.783 119.655 118.700 0.287 0.000 2.508 498 N HA 0.170 4.910 4.740 -0.001 0.000 0.264 498 N C -1.123 174.502 175.510 0.193 0.000 1.216 498 N CA -0.032 53.112 53.050 0.157 0.000 0.943 498 N CB 0.239 38.765 38.487 0.065 0.000 1.113 498 N HN 0.766 nan 8.380 nan 0.000 0.447 499 D N 0.511 120.976 120.400 0.108 0.000 2.414 499 D HA 0.174 4.813 4.640 -0.001 0.000 0.242 499 D C -0.574 175.743 176.300 0.028 0.000 1.129 499 D CA 0.254 54.307 54.000 0.089 0.000 0.885 499 D CB 0.399 41.229 40.800 0.049 0.000 1.198 499 D HN 0.290 nan 8.370 nan 0.000 0.437 500 I N 2.846 123.427 120.570 0.018 0.000 2.418 500 I HA 0.142 4.312 4.170 -0.001 0.000 0.287 500 I C -0.461 175.591 176.117 -0.108 0.000 1.008 500 I CA -0.887 60.330 61.300 -0.139 0.000 1.104 500 I CB 1.783 39.581 38.000 -0.337 0.000 1.264 500 I HN 0.363 nan 8.210 nan 0.000 0.438 501 D N 6.193 126.522 120.400 -0.118 0.000 2.393 501 D HA 0.113 4.753 4.640 -0.001 0.000 0.232 501 D C 0.628 176.873 176.300 -0.092 0.000 1.192 501 D CA 0.011 53.987 54.000 -0.039 0.000 0.882 501 D CB 0.528 41.309 40.800 -0.031 0.000 1.038 501 D HN 0.306 nan 8.370 nan 0.000 0.499 502 F N 1.518 121.466 119.950 -0.003 0.000 2.451 502 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 502 F C 2.674 178.461 175.800 -0.021 0.000 1.101 502 F CA 0.801 58.796 58.000 -0.009 0.000 1.436 502 F CB 0.027 39.030 39.000 0.004 0.000 1.074 502 F HN 0.390 nan 8.300 nan 0.000 0.553 503 S N -0.358 115.410 115.700 0.113 0.000 2.428 503 S HA -0.148 4.322 4.470 -0.001 0.000 0.230 503 S C 1.835 176.426 174.600 -0.016 0.000 1.014 503 S CA 0.743 58.964 58.200 0.036 0.000 0.957 503 S CB -0.340 62.868 63.200 0.014 0.000 0.784 503 S HN 0.381 nan 8.310 nan 0.000 0.499 504 K N 0.488 120.866 120.400 -0.035 0.000 2.167 504 K HA 0.154 4.473 4.320 -0.001 0.000 0.203 504 K C 1.851 178.401 176.600 -0.084 0.000 1.052 504 K CA 0.801 57.050 56.287 -0.063 0.000 0.956 504 K CB -0.227 32.231 32.500 -0.070 0.000 0.735 504 K HN 0.294 nan 8.250 nan 0.000 0.451 505 I N 1.610 122.115 120.570 -0.109 0.000 2.163 505 I HA -0.254 3.916 4.170 -0.001 0.000 0.243 505 I C 2.493 178.576 176.117 -0.056 0.000 1.085 505 I CA 1.436 62.668 61.300 -0.114 0.000 1.347 505 I CB -1.456 36.434 38.000 -0.182 0.000 1.044 505 I HN 0.091 nan 8.210 nan 0.000 0.408 506 A N 0.427 123.243 122.820 -0.006 0.000 1.902 506 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 506 A C 2.150 179.696 177.584 -0.062 0.000 1.181 506 A CA 2.163 54.193 52.037 -0.011 0.000 0.623 506 A CB -0.820 18.187 19.000 0.010 0.000 0.818 506 A HN 0.420 nan 8.150 nan 0.000 0.443 507 D N -0.462 119.896 120.400 -0.070 0.000 2.123 507 D HA -0.067 4.573 4.640 -0.001 0.000 0.196 507 D C 1.990 178.202 176.300 -0.147 0.000 0.992 507 D CA 1.612 55.566 54.000 -0.076 0.000 0.833 507 D CB -0.543 40.221 40.800 -0.061 0.000 0.954 507 D HN 0.312 nan 8.370 nan 0.000 0.455 508 G N 0.032 108.731 108.800 -0.169 0.000 2.432 508 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.219 508 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.219 508 G C 1.495 176.133 174.900 -0.437 0.000 1.135 508 G CA 1.295 46.246 45.100 -0.249 0.000 0.767 508 G HN 0.410 nan 8.290 nan 0.000 0.550 509 V N -3.533 116.187 119.914 -0.324 0.000 3.514 509 V HA 0.281 4.401 4.120 -0.001 0.000 0.301 509 V C 0.764 176.694 176.094 -0.274 0.000 1.346 509 V CA -0.070 62.049 62.300 -0.302 0.000 1.156 509 V CB -1.166 30.591 31.823 -0.111 0.000 1.029 509 V HN 0.493 nan 8.190 nan 0.000 0.428 510 H N -0.873 118.183 119.070 -0.024 0.000 2.882 510 H HA -0.145 4.411 4.556 -0.001 0.000 0.314 510 H C -0.130 175.181 175.328 -0.028 0.000 1.270 510 H CA 1.275 57.306 56.048 -0.028 0.000 1.165 510 H CB -1.408 28.339 29.762 -0.026 0.000 1.436 510 H HN 0.717 nan 8.280 nan 0.000 0.431 511 M N 0.830 120.441 119.600 0.019 0.000 2.383 511 M HA 0.267 4.747 4.480 -0.001 0.000 0.325 511 M C -0.009 176.271 176.300 -0.034 0.000 1.092 511 M CA -0.579 54.723 55.300 0.003 0.000 0.961 511 M CB 1.454 34.052 32.600 -0.004 0.000 1.672 511 M HN 0.156 nan 8.290 nan 0.000 0.438 512 Q N 2.440 122.210 119.800 -0.051 0.000 2.361 512 Q HA 0.522 4.861 4.340 -0.001 0.000 0.276 512 Q C -0.803 175.084 176.000 -0.188 0.000 1.022 512 Q CA 0.114 55.833 55.803 -0.140 0.000 0.898 512 Q CB 0.969 29.629 28.738 -0.129 0.000 1.246 512 Q HN 0.744 nan 8.270 nan 0.000 0.410 513 A N 2.134 124.733 122.820 -0.368 0.000 2.599 513 A HA 0.810 5.130 4.320 -0.001 0.000 0.290 513 A C -1.792 175.437 177.584 -0.592 0.000 1.101 513 A CA -0.678 51.175 52.037 -0.307 0.000 0.674 513 A CB 1.229 20.166 19.000 -0.105 0.000 1.277 513 A HN 0.537 nan 8.150 nan 0.000 0.419 514 F N -0.558 119.363 119.950 -0.048 0.000 2.613 514 F HA 0.792 5.319 4.527 -0.001 0.000 0.310 514 F C -0.000 175.775 175.800 -0.040 0.000 1.085 514 F CA -0.459 57.512 58.000 -0.048 0.000 0.945 514 F CB 2.383 41.337 39.000 -0.077 0.000 1.298 514 F HN 0.665 nan 8.300 nan 0.000 0.455 515 R N 1.747 122.344 120.500 0.162 0.000 2.480 515 R HA 0.860 5.200 4.340 -0.001 0.000 0.306 515 R C -1.960 174.387 176.300 0.079 0.000 0.958 515 R CA -0.644 55.511 56.100 0.093 0.000 0.861 515 R CB 1.606 31.946 30.300 0.066 0.000 1.171 515 R HN 0.630 nan 8.270 nan 0.000 0.445 516 V N 1.690 121.632 119.914 0.047 0.000 2.914 516 V HA 0.612 4.732 4.120 -0.001 0.000 0.314 516 V C -0.312 175.791 176.094 0.016 0.000 1.084 516 V CA -0.459 61.860 62.300 0.033 0.000 0.963 516 V CB 2.093 33.933 31.823 0.029 0.000 1.025 516 V HN 1.066 nan 8.190 nan 0.000 0.432 517 N N 0.193 118.900 118.700 0.011 0.000 2.081 517 N HA 0.318 5.058 4.740 -0.001 0.000 0.230 517 N C -0.389 175.117 175.510 -0.006 0.000 1.351 517 N CA -0.795 52.255 53.050 -0.000 0.000 0.840 517 N CB 0.850 39.339 38.487 0.004 0.000 1.189 517 N HN 0.636 nan 8.380 nan 0.000 0.503 518 K N 0.514 120.912 120.400 -0.003 0.000 2.422 518 K HA 0.430 4.749 4.320 -0.001 0.000 0.251 518 K C 0.381 176.974 176.600 -0.011 0.000 0.933 518 K CA -0.733 55.549 56.287 -0.008 0.000 0.798 518 K CB 2.428 34.926 32.500 -0.003 0.000 1.238 518 K HN -0.065 nan 8.250 nan 0.000 0.428 519 I N 2.049 122.608 120.570 -0.020 0.000 2.264 519 I HA -0.285 3.885 4.170 -0.001 0.000 0.248 519 I C 2.082 178.185 176.117 -0.022 0.000 1.111 519 I CA 1.391 62.674 61.300 -0.028 0.000 1.382 519 I CB -0.029 37.952 38.000 -0.033 0.000 1.060 519 I HN 0.686 nan 8.210 nan 0.000 0.418 520 E N 0.985 121.176 120.200 -0.015 0.000 2.482 520 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 520 E C 1.514 178.112 176.600 -0.004 0.000 1.047 520 E CA 0.623 57.016 56.400 -0.011 0.000 0.869 520 E CB -0.264 29.430 29.700 -0.009 0.000 0.836 520 E HN 0.622 nan 8.360 nan 0.000 0.520 521 Q N 0.425 120.226 119.800 0.002 0.000 2.424 521 Q HA 0.168 4.507 4.340 -0.001 0.000 0.204 521 Q C 2.262 178.275 176.000 0.021 0.000 0.933 521 Q CA 0.156 55.964 55.803 0.008 0.000 0.929 521 Q CB 0.073 28.818 28.738 0.013 0.000 1.037 521 Q HN 0.268 nan 8.270 nan 0.000 0.511 522 L N 0.798 122.041 121.223 0.033 0.000 2.017 522 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 522 L C -0.647 176.288 176.870 0.110 0.000 1.073 522 L CA 1.353 56.251 54.840 0.096 0.000 0.745 522 L CB -1.614 40.436 42.059 -0.016 0.000 0.894 522 L HN 0.161 nan 8.230 nan 0.000 0.432 523 P HA -0.148 nan 4.420 nan 0.000 0.215 523 P C 0.910 178.231 177.300 0.036 0.000 1.157 523 P CA 1.395 64.511 63.100 0.027 0.000 0.868 523 P CB -0.018 31.680 31.700 -0.002 0.000 0.788 524 D N -0.925 119.476 120.400 0.001 0.000 2.123 524 D HA -0.078 4.561 4.640 -0.001 0.000 0.200 524 D C 2.066 178.292 176.300 -0.122 0.000 0.976 524 D CA 0.960 54.938 54.000 -0.036 0.000 0.831 524 D CB -0.695 40.084 40.800 -0.035 0.000 0.974 524 D HN -0.016 nan 8.370 nan 0.000 0.469 525 V N 0.714 120.521 119.914 -0.179 0.000 2.343 525 V HA -0.216 3.903 4.120 -0.001 0.000 0.247 525 V C 2.172 177.987 176.094 -0.465 0.000 1.051 525 V CA 1.315 63.307 62.300 -0.513 0.000 1.036 525 V CB -0.539 31.015 31.823 -0.449 0.000 0.654 525 V HN 0.046 nan 8.190 nan 0.000 0.451 526 F N -0.100 119.712 119.950 -0.230 0.000 2.259 526 F HA -0.039 4.488 4.527 -0.001 0.000 0.298 526 F C 2.493 178.236 175.800 -0.094 0.000 1.088 526 F CA 1.045 58.965 58.000 -0.134 0.000 1.358 526 F CB -0.217 38.749 39.000 -0.057 0.000 1.040 526 F HN 0.112 nan 8.300 nan 0.000 0.505 527 E N 0.228 120.465 120.200 0.060 0.000 2.072 527 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 527 E C 2.125 178.713 176.600 -0.020 0.000 0.985 527 E CA 1.104 57.520 56.400 0.026 0.000 0.801 527 E CB -0.419 29.291 29.700 0.017 0.000 0.750 527 E HN 0.543 nan 8.360 nan 0.000 0.452 528 Q N 0.077 119.823 119.800 -0.089 0.000 2.079 528 Q HA -0.032 4.308 4.340 -0.001 0.000 0.200 528 Q C 2.179 178.164 176.000 -0.025 0.000 0.974 528 Q CA 1.274 57.047 55.803 -0.049 0.000 0.840 528 Q CB -0.147 28.553 28.738 -0.064 0.000 0.898 528 Q HN 0.210 nan 8.270 nan 0.000 0.430 529 A N 1.693 124.429 122.820 -0.139 0.000 1.902 529 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 529 A C 2.023 179.582 177.584 -0.041 0.000 1.181 529 A CA 1.652 53.646 52.037 -0.072 0.000 0.623 529 A CB -0.465 18.389 19.000 -0.244 0.000 0.818 529 A HN 0.214 nan 8.150 nan 0.000 0.443 530 K N -0.388 119.998 120.400 -0.024 0.000 2.103 530 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 530 K C 2.101 178.686 176.600 -0.025 0.000 1.048 530 K CA 1.275 57.555 56.287 -0.013 0.000 0.930 530 K CB -0.289 32.233 32.500 0.037 0.000 0.716 530 K HN 0.399 nan 8.250 nan 0.000 0.444 531 A N 1.053 123.872 122.820 -0.002 0.000 1.897 531 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 531 A C 2.041 179.639 177.584 0.022 0.000 1.181 531 A CA 1.061 53.103 52.037 0.009 0.000 0.620 531 A CB -0.423 18.597 19.000 0.035 0.000 0.821 531 A HN 0.295 nan 8.150 nan 0.000 0.443 532 I N 0.173 120.772 120.570 0.048 0.000 2.208 532 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 532 I C 2.663 178.794 176.117 0.024 0.000 1.097 532 I CA 1.167 62.510 61.300 0.071 0.000 1.363 532 I CB -0.207 37.850 38.000 0.096 0.000 1.051 532 I HN 0.317 nan 8.210 nan 0.000 0.413 533 A N -0.056 122.747 122.820 -0.029 0.000 2.248 533 A HA -0.129 4.191 4.320 -0.001 0.000 0.210 533 A C 2.020 179.526 177.584 -0.131 0.000 1.174 533 A CA 0.779 52.770 52.037 -0.077 0.000 0.750 533 A CB -0.335 18.589 19.000 -0.125 0.000 0.780 533 A HN 0.395 nan 8.150 nan 0.000 0.478 534 Q N -0.757 118.927 119.800 -0.193 0.000 2.297 534 Q HA -0.112 4.228 4.340 -0.001 0.000 0.204 534 Q C 0.684 176.343 176.000 -0.568 0.000 0.962 534 Q CA 1.739 57.301 55.803 -0.401 0.000 0.879 534 Q CB -0.190 28.201 28.738 -0.578 0.000 0.947 534 Q HN 0.980 nan 8.270 nan 0.000 0.462 535 H N -1.939 117.128 119.070 -0.005 0.000 3.734 535 H HA 0.345 4.900 4.556 -0.001 0.000 0.253 535 H C -0.170 175.167 175.328 0.015 0.000 1.072 535 H CA -0.152 55.896 56.048 0.000 0.000 1.147 535 H CB 1.161 30.921 29.762 -0.004 0.000 1.495 535 H HN 0.015 nan 8.280 nan 0.000 0.588 536 E N 1.274 121.536 120.200 0.103 0.000 2.393 536 E HA 0.278 4.627 4.350 -0.001 0.000 0.273 536 E C -2.756 173.868 176.600 0.040 0.000 0.918 536 E CA -2.436 54.015 56.400 0.086 0.000 0.773 536 E CB 2.833 32.583 29.700 0.084 0.000 1.275 536 E HN -0.062 nan 8.360 nan 0.000 0.451 537 P HA 0.068 nan 4.420 nan 0.000 0.272 537 P C -0.950 176.356 177.300 0.011 0.000 1.230 537 P CA -0.147 62.959 63.100 0.010 0.000 0.788 537 P CB 1.000 32.709 31.700 0.014 0.000 0.949 538 V N 3.220 123.136 119.914 0.004 0.000 3.087 538 V HA 0.607 4.727 4.120 -0.001 0.000 0.306 538 V C -1.393 174.714 176.094 0.022 0.000 1.187 538 V CA -1.090 61.224 62.300 0.023 0.000 0.999 538 V CB 2.224 34.082 31.823 0.058 0.000 1.049 538 V HN 0.498 nan 8.190 nan 0.000 0.431 539 L N 5.721 126.966 121.223 0.037 0.000 2.386 539 L HA 0.737 5.076 4.340 -0.001 0.000 0.271 539 L C -1.369 175.541 176.870 0.067 0.000 0.993 539 L CA -0.451 54.409 54.840 0.034 0.000 0.819 539 L CB 1.880 43.963 42.059 0.040 0.000 1.294 539 L HN 0.696 nan 8.230 nan 0.000 0.414 540 I N 3.599 124.167 120.570 -0.003 0.000 2.406 540 I HA 0.317 4.487 4.170 -0.001 0.000 0.290 540 I C -1.128 174.960 176.117 -0.048 0.000 0.999 540 I CA -0.438 60.840 61.300 -0.037 0.000 1.124 540 I CB 1.762 39.591 38.000 -0.285 0.000 1.289 540 I HN 0.519 nan 8.210 nan 0.000 0.441 541 D N 6.268 126.672 120.400 0.006 0.000 2.427 541 D HA 0.475 5.114 4.640 -0.001 0.000 0.226 541 D C -0.507 175.777 176.300 -0.026 0.000 1.076 541 D CA -0.239 53.764 54.000 0.005 0.000 0.849 541 D CB 1.491 42.358 40.800 0.112 0.000 1.052 541 D HN 0.565 nan 8.370 nan 0.000 0.515 542 A N 4.036 126.790 122.820 -0.111 0.000 2.260 542 A HA 0.458 4.777 4.320 -0.001 0.000 0.312 542 A C -0.213 177.331 177.584 -0.066 0.000 1.321 542 A CA -0.673 51.295 52.037 -0.114 0.000 0.928 542 A CB 0.617 19.465 19.000 -0.254 0.000 1.158 542 A HN 0.411 nan 8.150 nan 0.000 0.542 543 V N 5.446 125.348 119.914 -0.020 0.000 2.405 543 V HA 0.270 4.389 4.120 -0.001 0.000 0.264 543 V C 0.343 176.427 176.094 -0.017 0.000 1.048 543 V CA 0.243 62.542 62.300 -0.001 0.000 0.966 543 V CB -0.359 31.471 31.823 0.012 0.000 1.015 543 V HN 0.743 nan 8.190 nan 0.000 0.477 544 I N 2.212 122.774 120.570 -0.013 0.000 2.863 544 I HA 0.789 4.959 4.170 -0.001 0.000 0.311 544 I C 0.662 176.755 176.117 -0.041 0.000 1.026 544 I CA -0.648 60.633 61.300 -0.031 0.000 1.077 544 I CB 2.070 40.062 38.000 -0.013 0.000 1.262 544 I HN 0.555 nan 8.210 nan 0.000 0.461 545 T N -0.131 114.387 114.554 -0.062 0.000 2.766 545 T HA 0.322 4.672 4.350 -0.001 0.000 0.295 545 T C 0.903 175.564 174.700 -0.064 0.000 1.024 545 T CA -0.136 61.928 62.100 -0.059 0.000 1.018 545 T CB 0.983 69.817 68.868 -0.057 0.000 1.002 545 T HN 0.952 nan 8.240 nan 0.000 0.532 546 G N 0.405 109.168 108.800 -0.062 0.000 3.440 546 G HA2 0.195 4.155 3.960 -0.001 0.000 0.263 546 G HA3 0.195 4.155 3.960 -0.001 0.000 0.263 546 G C -0.078 174.795 174.900 -0.045 0.000 1.236 546 G CA -0.522 44.536 45.100 -0.070 0.000 0.927 546 G HN 0.756 nan 8.290 nan 0.000 0.530 547 D N 0.679 121.064 120.400 -0.025 0.000 2.424 547 D HA 0.061 4.701 4.640 -0.001 0.000 0.244 547 D C 0.550 176.895 176.300 0.075 0.000 1.134 547 D CA 0.122 54.136 54.000 0.023 0.000 0.881 547 D CB 1.465 42.299 40.800 0.058 0.000 1.191 547 D HN 0.160 nan 8.370 nan 0.000 0.445 548 R N 2.864 123.434 120.500 0.117 0.000 2.401 548 R HA 0.186 4.525 4.340 -0.001 0.000 0.299 548 R C -2.309 174.173 176.300 0.304 0.000 1.064 548 R CA -1.157 55.053 56.100 0.184 0.000 1.000 548 R CB 0.367 30.797 30.300 0.218 0.000 0.973 548 R HN 0.118 nan 8.270 nan 0.000 0.438 549 P HA -0.061 nan 4.420 nan 0.000 0.268 549 P C -0.475 176.857 177.300 0.054 0.000 1.205 549 P CA -0.235 63.023 63.100 0.263 0.000 0.771 549 P CB 0.462 32.306 31.700 0.239 0.000 0.858 550 L N 5.084 126.266 121.223 -0.068 0.000 2.667 550 L HA 0.056 4.396 4.340 -0.001 0.000 0.278 550 L C -1.879 174.795 176.870 -0.326 0.000 1.217 550 L CA -1.044 53.462 54.840 -0.556 0.000 0.935 550 L CB -0.192 41.748 42.059 -0.198 0.000 1.193 550 L HN 0.299 nan 8.230 nan 0.000 0.493 551 P HA 0.102 nan 4.420 nan 0.000 0.277 551 P C 0.030 177.292 177.300 -0.063 0.000 1.354 551 P CA -0.268 62.746 63.100 -0.143 0.000 0.891 551 P CB 1.387 33.030 31.700 -0.096 0.000 1.058 552 A N 4.511 127.285 122.820 -0.076 0.000 2.070 552 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 552 A C 1.802 179.304 177.584 -0.138 0.000 1.159 552 A CA 1.193 53.156 52.037 -0.123 0.000 0.656 552 A CB -0.630 18.263 19.000 -0.179 0.000 0.800 552 A HN 0.537 nan 8.150 nan 0.000 0.453 553 E N 0.372 120.502 120.200 -0.116 0.000 2.481 553 E HA -0.032 4.318 4.350 -0.001 0.000 0.195 553 E C 0.055 176.599 176.600 -0.094 0.000 1.047 553 E CA 0.550 56.882 56.400 -0.114 0.000 0.867 553 E CB -0.100 29.529 29.700 -0.118 0.000 0.858 553 E HN 0.527 nan 8.360 nan 0.000 0.513 554 K N 1.370 121.727 120.400 -0.070 0.000 3.206 554 K HA 0.351 4.670 4.320 -0.001 0.000 0.180 554 K C -0.444 176.079 176.600 -0.128 0.000 1.088 554 K CA -0.290 55.962 56.287 -0.059 0.000 0.872 554 K CB 0.845 33.355 32.500 0.017 0.000 0.976 554 K HN 0.012 nan 8.250 nan 0.000 0.564 555 L N 1.834 122.904 121.223 -0.255 0.000 2.416 555 L HA 0.218 4.558 4.340 -0.001 0.000 0.272 555 L C 0.559 176.988 176.870 -0.734 0.000 1.161 555 L CA -0.093 54.411 54.840 -0.560 0.000 0.845 555 L CB 0.308 42.158 42.059 -0.349 0.000 1.119 555 L HN 0.104 nan 8.230 nan 0.000 0.464 556 R N 5.814 125.539 120.500 -1.290 0.000 2.564 556 R HA 0.337 4.677 4.340 -0.001 0.000 0.282 556 R C -0.041 175.927 176.300 -0.553 0.000 1.573 556 R CA -0.090 55.596 56.100 -0.690 0.000 1.588 556 R CB 0.705 30.723 30.300 -0.469 0.000 1.154 556 R HN 0.719 nan 8.270 nan 0.000 0.606 557 L N -0.863 120.141 121.223 -0.365 0.000 2.902 557 L HA 0.258 4.597 4.340 -0.001 0.000 0.254 557 L C 0.237 177.028 176.870 -0.132 0.000 1.115 557 L CA 0.012 54.733 54.840 -0.197 0.000 0.947 557 L CB 0.677 42.636 42.059 -0.165 0.000 1.369 557 L HN 0.170 nan 8.230 nan 0.000 0.538 558 D N 0.009 120.325 120.400 -0.139 0.000 2.317 558 D HA 0.145 4.785 4.640 -0.001 0.000 0.234 558 D C 0.963 177.211 176.300 -0.087 0.000 1.112 558 D CA 0.074 54.011 54.000 -0.104 0.000 0.840 558 D CB 1.825 42.564 40.800 -0.100 0.000 1.078 558 D HN -0.082 nan 8.370 nan 0.000 0.486 559 S N 2.519 118.177 115.700 -0.070 0.000 2.440 559 S HA -0.180 4.290 4.470 -0.001 0.000 0.238 559 S C 1.833 176.402 174.600 -0.050 0.000 1.010 559 S CA 1.010 59.176 58.200 -0.055 0.000 0.972 559 S CB 0.042 63.214 63.200 -0.047 0.000 0.774 559 S HN 0.630 nan 8.310 nan 0.000 0.501 560 A N 0.761 123.549 122.820 -0.053 0.000 2.119 560 A HA 0.214 4.533 4.320 -0.001 0.000 0.216 560 A C 1.906 179.461 177.584 -0.047 0.000 1.152 560 A CA 0.836 52.846 52.037 -0.045 0.000 0.708 560 A CB -0.362 18.613 19.000 -0.042 0.000 0.805 560 A HN 0.545 nan 8.150 nan 0.000 0.460 561 M N -1.571 117.993 119.600 -0.059 0.000 2.296 561 M HA 0.187 4.667 4.480 -0.001 0.000 0.291 561 M C -0.357 175.904 176.300 -0.065 0.000 1.013 561 M CA 0.184 55.448 55.300 -0.061 0.000 1.089 561 M CB 0.924 33.481 32.600 -0.071 0.000 1.677 561 M HN 0.122 nan 8.290 nan 0.000 0.584 562 S N 0.503 116.161 115.700 -0.070 0.000 2.568 562 S HA 0.543 5.013 4.470 -0.001 0.000 0.293 562 S C -0.068 174.504 174.600 -0.047 0.000 1.089 562 S CA -1.000 57.160 58.200 -0.067 0.000 0.945 562 S CB 1.916 65.056 63.200 -0.100 0.000 1.077 562 S HN 0.355 nan 8.310 nan 0.000 0.485 563 S N 1.174 116.854 115.700 -0.033 0.000 2.593 563 S HA 0.477 4.946 4.470 -0.001 0.000 0.269 563 S C 1.374 175.963 174.600 -0.018 0.000 1.334 563 S CA -0.266 57.921 58.200 -0.022 0.000 1.015 563 S CB 0.626 63.817 63.200 -0.014 0.000 0.912 563 S HN 0.928 nan 8.310 nan 0.000 0.541 564 A N 1.931 124.742 122.820 -0.014 0.000 1.978 564 A HA 0.109 4.428 4.320 -0.001 0.000 0.220 564 A C 2.342 179.929 177.584 0.004 0.000 1.170 564 A CA 1.716 53.748 52.037 -0.008 0.000 0.636 564 A CB -1.565 17.430 19.000 -0.008 0.000 0.810 564 A HN 1.306 nan 8.150 nan 0.000 0.448 565 A N -0.023 122.800 122.820 0.005 0.000 1.898 565 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 565 A C 1.765 179.366 177.584 0.027 0.000 1.181 565 A CA 1.774 53.819 52.037 0.013 0.000 0.620 565 A CB -0.462 18.543 19.000 0.009 0.000 0.819 565 A HN 0.453 nan 8.150 nan 0.000 0.442 566 D N 0.032 120.446 120.400 0.024 0.000 2.117 566 D HA -0.077 4.562 4.640 -0.001 0.000 0.198 566 D C 1.850 178.193 176.300 0.073 0.000 0.982 566 D CA 1.025 55.051 54.000 0.045 0.000 0.828 566 D CB -0.324 40.487 40.800 0.017 0.000 0.967 566 D HN 0.517 nan 8.370 nan 0.000 0.464 567 I N 1.234 121.826 120.570 0.036 0.000 2.226 567 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 567 I C 2.363 178.547 176.117 0.110 0.000 1.100 567 I CA 0.940 62.272 61.300 0.053 0.000 1.374 567 I CB -0.098 37.902 38.000 -0.000 0.000 1.057 567 I HN -0.098 nan 8.210 nan 0.000 0.413 568 E N 0.992 121.235 120.200 0.071 0.000 2.058 568 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 568 E C 2.362 179.005 176.600 0.073 0.000 0.997 568 E CA 1.663 58.101 56.400 0.063 0.000 0.801 568 E CB -0.334 29.387 29.700 0.034 0.000 0.746 568 E HN 0.520 nan 8.360 nan 0.000 0.450 569 A N 0.663 123.529 122.820 0.077 0.000 1.902 569 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 569 A C 2.107 179.743 177.584 0.086 0.000 1.181 569 A CA 1.228 53.300 52.037 0.059 0.000 0.623 569 A CB -0.838 18.197 19.000 0.059 0.000 0.818 569 A HN 0.277 nan 8.150 nan 0.000 0.443 570 F N 0.686 120.658 119.950 0.038 0.000 2.134 570 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 570 F C 2.210 178.083 175.800 0.123 0.000 1.097 570 F CA 2.174 60.251 58.000 0.128 0.000 1.264 570 F CB -0.097 38.985 39.000 0.137 0.000 1.001 570 F HN 0.112 nan 8.300 nan 0.000 0.479 571 K N -0.398 120.155 120.400 0.255 0.000 2.057 571 K HA -0.253 4.067 4.320 -0.001 0.000 0.207 571 K C 2.099 178.713 176.600 0.022 0.000 1.049 571 K CA 1.634 58.003 56.287 0.137 0.000 0.931 571 K CB -0.326 32.248 32.500 0.124 0.000 0.714 571 K HN 0.265 nan 8.250 nan 0.000 0.440 572 Q N 1.252 121.047 119.800 -0.008 0.000 2.020 572 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 572 Q C 2.028 177.943 176.000 -0.142 0.000 0.982 572 Q CA 1.641 57.413 55.803 -0.051 0.000 0.838 572 Q CB -0.074 28.639 28.738 -0.041 0.000 0.899 572 Q HN 0.137 nan 8.270 nan 0.000 0.423 573 R N -1.410 118.921 120.500 -0.283 0.000 2.096 573 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 573 R C 0.745 176.649 176.300 -0.660 0.000 1.127 573 R CA 1.413 57.190 56.100 -0.539 0.000 0.968 573 R CB -0.038 29.765 30.300 -0.828 0.000 0.861 573 R HN 0.347 nan 8.270 nan 0.000 0.440 574 Y N 0.765 120.952 120.300 -0.187 0.000 2.571 574 Y HA 0.235 4.785 4.550 -0.001 0.000 0.275 574 Y C -0.319 175.594 175.900 0.021 0.000 1.179 574 Y CA -0.323 57.695 58.100 -0.136 0.000 1.242 574 Y CB 0.142 38.387 38.460 -0.358 0.000 1.126 574 Y HN 0.129 nan 8.280 nan 0.000 0.524 575 E N -0.501 119.748 120.200 0.081 0.000 2.403 575 E HA -0.263 4.086 4.350 -0.001 0.000 0.241 575 E C 0.611 177.355 176.600 0.239 0.000 1.201 575 E CA 0.445 56.917 56.400 0.121 0.000 0.721 575 E CB -1.177 28.580 29.700 0.095 0.000 1.245 575 E HN 0.503 nan 8.360 nan 0.000 0.392 576 A N 0.384 123.296 122.820 0.155 0.000 2.708 576 A HA 0.192 4.511 4.320 -0.001 0.000 0.293 576 A C 1.403 179.031 177.584 0.073 0.000 1.303 576 A CA -0.249 51.825 52.037 0.062 0.000 0.949 576 A CB 0.288 19.250 19.000 -0.064 0.000 1.121 576 A HN 0.151 nan 8.150 nan 0.000 0.542 577 Q N 0.334 120.188 119.800 0.089 0.000 2.170 577 Q HA -0.130 4.209 4.340 -0.001 0.000 0.203 577 Q C 0.555 176.592 176.000 0.063 0.000 0.976 577 Q CA 1.783 57.627 55.803 0.068 0.000 0.858 577 Q CB 0.054 28.824 28.738 0.054 0.000 0.907 577 Q HN 0.545 nan 8.270 nan 0.000 0.433 578 D N -0.699 119.749 120.400 0.080 0.000 2.328 578 D HA 0.085 4.724 4.640 -0.001 0.000 0.221 578 D C -0.212 176.137 176.300 0.082 0.000 1.072 578 D CA 0.107 54.153 54.000 0.076 0.000 0.850 578 D CB 0.316 41.167 40.800 0.084 0.000 0.922 578 D HN 0.229 nan 8.370 nan 0.000 0.516 579 L N 1.382 122.640 121.223 0.057 0.000 2.371 579 L HA 0.137 4.476 4.340 -0.001 0.000 0.272 579 L C 0.495 177.396 176.870 0.051 0.000 1.124 579 L CA -0.161 54.711 54.840 0.054 0.000 0.816 579 L CB 0.904 42.947 42.059 -0.028 0.000 1.129 579 L HN -0.253 nan 8.230 nan 0.000 0.448 580 Q N 4.018 123.865 119.800 0.078 0.000 2.309 580 Q HA 0.465 4.805 4.340 -0.001 0.000 0.264 580 Q C -2.316 173.678 176.000 -0.009 0.000 1.008 580 Q CA -1.990 53.809 55.803 -0.006 0.000 0.853 580 Q CB 1.952 30.626 28.738 -0.106 0.000 1.314 580 Q HN 0.319 nan 8.270 nan 0.000 0.448 581 P HA -0.014 nan 4.420 nan 0.000 0.272 581 P C 0.753 178.021 177.300 -0.054 0.000 1.223 581 P CA -0.332 62.723 63.100 -0.075 0.000 0.784 581 P CB 0.909 32.548 31.700 -0.102 0.000 0.923 582 L N 3.131 124.364 121.223 0.017 0.000 2.079 582 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 582 L C 2.418 179.317 176.870 0.048 0.000 1.081 582 L CA 2.631 57.538 54.840 0.111 0.000 0.752 582 L CB -1.594 40.488 42.059 0.039 0.000 0.896 582 L HN 0.488 nan 8.230 nan 0.000 0.433 583 S N -2.388 113.300 115.700 -0.020 0.000 2.402 583 S HA -0.255 4.215 4.470 -0.001 0.000 0.233 583 S C 1.858 176.400 174.600 -0.097 0.000 1.030 583 S CA 1.734 59.915 58.200 -0.031 0.000 1.003 583 S CB -1.469 61.703 63.200 -0.047 0.000 0.813 583 S HN 0.589 nan 8.310 nan 0.000 0.477 584 T N 1.322 115.732 114.554 -0.240 0.000 2.684 584 T HA -0.078 4.271 4.350 -0.001 0.000 0.267 584 T C 1.431 175.918 174.700 -0.354 0.000 1.036 584 T CA 1.855 63.727 62.100 -0.381 0.000 1.148 584 T CB -0.553 67.939 68.868 -0.626 0.000 0.863 584 T HN 0.596 nan 8.240 nan 0.000 0.436 585 Y N 1.143 121.456 120.300 0.021 0.000 2.263 585 Y HA 0.150 4.699 4.550 -0.001 0.000 0.292 585 Y C 2.232 178.234 175.900 0.171 0.000 1.130 585 Y CA -0.003 58.156 58.100 0.098 0.000 1.179 585 Y CB -0.875 37.652 38.460 0.112 0.000 0.998 585 Y HN 0.135 nan 8.280 nan 0.000 0.532 586 L N 0.112 121.474 121.223 0.232 0.000 1.970 586 L HA -0.285 4.054 4.340 -0.001 0.000 0.212 586 L C 2.309 179.267 176.870 0.147 0.000 1.071 586 L CA 1.808 56.779 54.840 0.218 0.000 0.751 586 L CB -0.641 41.517 42.059 0.164 0.000 0.889 586 L HN 0.160 nan 8.230 nan 0.000 0.432 587 K N -0.313 120.116 120.400 0.048 0.000 2.103 587 K HA -0.265 4.054 4.320 -0.001 0.000 0.207 587 K C 2.134 178.705 176.600 -0.048 0.000 1.048 587 K CA 1.519 57.805 56.287 -0.003 0.000 0.930 587 K CB -0.217 32.257 32.500 -0.044 0.000 0.716 587 K HN 0.330 nan 8.250 nan 0.000 0.444 588 Q N 0.043 119.772 119.800 -0.118 0.000 2.124 588 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 588 Q C 0.823 176.546 176.000 -0.462 0.000 0.977 588 Q CA 1.427 57.040 55.803 -0.317 0.000 0.850 588 Q CB 0.118 28.605 28.738 -0.420 0.000 0.901 588 Q HN 0.259 nan 8.270 nan 0.000 0.429 589 F N -0.869 119.126 119.950 0.075 0.000 2.641 589 F HA 0.346 4.873 4.527 -0.001 0.000 0.302 589 F C 1.149 176.996 175.800 0.078 0.000 1.098 589 F CA 0.482 58.529 58.000 0.080 0.000 1.318 589 F CB 0.958 40.016 39.000 0.096 0.000 1.035 589 F HN 0.199 nan 8.300 nan 0.000 0.551 590 G N 0.897 109.784 108.800 0.144 0.000 2.137 590 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.237 590 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.237 590 G C -0.150 174.822 174.900 0.121 0.000 1.002 590 G CA -0.266 44.898 45.100 0.108 0.000 0.702 590 G HN 0.287 nan 8.290 nan 0.000 0.515 591 L N 0.504 121.816 121.223 0.148 0.000 2.334 591 L HA 0.619 4.959 4.340 -0.001 0.000 0.272 591 L C 0.116 177.045 176.870 0.098 0.000 1.020 591 L CA -1.095 53.827 54.840 0.137 0.000 0.812 591 L CB 1.370 43.551 42.059 0.203 0.000 1.264 591 L HN 0.309 nan 8.230 nan 0.000 0.439 592 D N -0.925 119.518 120.400 0.071 0.000 2.277 592 D HA 0.269 4.908 4.640 -0.001 0.000 0.250 592 D C -0.669 175.663 176.300 0.054 0.000 1.032 592 D CA -0.751 53.278 54.000 0.048 0.000 0.947 592 D CB 1.182 41.998 40.800 0.027 0.000 1.159 592 D HN 0.302 nan 8.370 nan 0.000 0.460 593 D N 0.000 120.423 120.400 0.038 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 593 D CA 0.000 54.021 54.000 0.035 0.000 0.868 593 D CB 0.000 40.810 40.800 0.017 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683