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 1kyo_1_A DATA FIRST_RESID 27 DATA SEQUENCE AEVTQLSNGI VVATEHNPAH TASVGVVFGS GAANENPYNN GVSNLWKNIF DATA SEQUENCE LSKENSAVAA KEGLALSSNI SRDFQSYIVS SLPGSTDKSL DFLNQSFIQQ DATA SEQUENCE KANLLSSSNF EATKKSVLKQ VQDFEDNDHP NRVLEHLHST AFQNTPLSLP DATA SEQUENCE TRGTLESLEN LVVADLESFA NNHFLNSNAV VVGTGNIKHE DLVNSIESKN DATA SEQUENCE LSLQTGTKPV LKKKAAFLGS EVRLRDDTLP KAWISLAVEG EPVNSPNYFV DATA SEQUENCE AKLAAQIFGS YNAFEPASRL QGIKLLDNIQ EYQLCDNFNH FSLSYKDSGL DATA SEQUENCE WGFSTATRNV TMIDDLIHFT LKQWNRLTIS VTDTEVERAK SLLKLQLGQL DATA SEQUENCE YESGNPVNDA NLLGAEVLIK GSKLSLGEAF KKIDAITVKD VKAWAGKRLW DATA SEQUENCE DQDIAIAGTG QIEGLLDYMR IRSDMSMMRW 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.518 177.584 -0.111 0.000 1.274 27 A CA 0.000 51.979 52.037 -0.097 0.000 0.836 27 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 28 E N -1.892 118.239 120.200 -0.114 0.000 3.217 28 E HA -0.159 4.191 4.350 -0.000 0.000 0.228 28 E C -0.109 176.429 176.600 -0.103 0.000 1.379 28 E CA 1.528 57.855 56.400 -0.121 0.000 1.960 28 E CB -1.574 28.023 29.700 -0.171 0.000 2.076 28 E HN 1.938 nan 8.360 nan 0.000 0.539 29 V N -0.612 119.239 119.914 -0.105 0.000 3.364 29 V HA -0.140 3.979 4.120 -0.000 0.000 0.428 29 V C -0.204 175.801 176.094 -0.148 0.000 0.674 29 V CA 1.084 63.316 62.300 -0.112 0.000 1.911 29 V CB -1.704 30.059 31.823 -0.101 0.000 2.379 29 V HN 0.603 nan 8.190 nan 0.000 0.487 30 T N 4.598 119.020 114.554 -0.221 0.000 2.925 30 T HA 0.787 5.137 4.350 -0.000 0.000 0.285 30 T C -0.303 174.166 174.700 -0.385 0.000 1.021 30 T CA -0.530 61.334 62.100 -0.393 0.000 1.042 30 T CB 2.613 71.023 68.868 -0.762 0.000 1.037 30 T HN 0.805 nan 8.240 nan 0.000 0.481 31 Q N 1.819 121.438 119.800 -0.301 0.000 2.331 31 Q HA 0.518 4.858 4.340 -0.000 0.000 0.249 31 Q C -2.268 173.714 176.000 -0.030 0.000 0.913 31 Q CA -0.449 55.282 55.803 -0.120 0.000 0.874 31 Q CB 1.071 29.757 28.738 -0.087 0.000 1.384 31 Q HN 0.626 nan 8.270 nan 0.000 0.427 32 L N 2.442 123.709 121.223 0.074 0.000 2.431 32 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 32 L C -0.406 176.493 176.870 0.048 0.000 0.978 32 L CA -0.742 54.144 54.840 0.077 0.000 0.822 32 L CB 2.474 44.623 42.059 0.149 0.000 1.310 32 L HN 0.732 nan 8.230 nan 0.000 0.409 33 S N 0.667 116.379 115.700 0.020 0.000 2.585 33 S HA 0.469 4.939 4.470 -0.000 0.000 0.277 33 S C -0.207 174.395 174.600 0.003 0.000 1.241 33 S CA -0.559 57.645 58.200 0.006 0.000 1.041 33 S CB 2.482 65.681 63.200 -0.001 0.000 0.987 33 S HN 0.716 nan 8.310 nan 0.000 0.512 34 N N 1.577 120.274 118.700 -0.005 0.000 3.411 34 N HA 0.255 4.995 4.740 -0.000 0.000 0.236 34 N C 1.202 176.707 175.510 -0.009 0.000 1.053 34 N CA 0.901 53.946 53.050 -0.008 0.000 1.133 34 N CB -0.087 38.391 38.487 -0.015 0.000 1.460 34 N HN 0.718 nan 8.380 nan 0.000 0.724 35 G N 0.168 108.961 108.800 -0.011 0.000 2.695 35 G HA2 0.361 4.321 3.960 -0.000 0.000 0.205 35 G HA3 0.361 4.321 3.960 -0.000 0.000 0.205 35 G C 0.764 175.658 174.900 -0.010 0.000 1.068 35 G CA -0.009 45.086 45.100 -0.009 0.000 0.842 35 G HN 0.290 nan 8.290 nan 0.000 0.628 36 I N -1.220 119.340 120.570 -0.016 0.000 4.371 36 I HA 0.674 4.844 4.170 -0.000 0.000 0.216 36 I C -1.096 175.007 176.117 -0.023 0.000 0.978 36 I CA -1.250 60.037 61.300 -0.022 0.000 1.572 36 I CB 1.761 39.739 38.000 -0.037 0.000 1.275 36 I HN -0.177 nan 8.210 nan 0.000 0.399 37 V N 2.450 122.343 119.914 -0.034 0.000 2.653 37 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 37 V C -1.394 174.678 176.094 -0.037 0.000 1.097 37 V CA -0.367 61.916 62.300 -0.029 0.000 0.908 37 V CB 1.699 33.503 31.823 -0.031 0.000 1.024 37 V HN 0.325 nan 8.190 nan 0.000 0.435 38 V N 6.016 125.926 119.914 -0.006 0.000 2.483 38 V HA 0.965 5.085 4.120 -0.000 0.000 0.295 38 V C 0.433 176.562 176.094 0.059 0.000 1.035 38 V CA 0.152 62.459 62.300 0.012 0.000 0.896 38 V CB 1.447 33.283 31.823 0.021 0.000 0.986 38 V HN 1.232 nan 8.190 nan 0.000 0.447 39 A N 3.445 126.280 122.820 0.025 0.000 2.422 39 A HA 0.965 5.285 4.320 -0.000 0.000 0.302 39 A C -0.240 177.353 177.584 0.016 0.000 1.041 39 A CA -0.284 51.755 52.037 0.003 0.000 0.708 39 A CB 2.064 21.028 19.000 -0.059 0.000 1.257 39 A HN 1.018 nan 8.150 nan 0.000 0.414 40 T N -1.249 113.318 114.554 0.022 0.000 2.816 40 T HA 0.783 5.133 4.350 -0.000 0.000 0.299 40 T C -1.032 173.674 174.700 0.009 0.000 1.230 40 T CA -0.582 61.547 62.100 0.048 0.000 1.007 40 T CB 1.999 70.965 68.868 0.164 0.000 1.289 40 T HN 0.870 nan 8.240 nan 0.000 0.508 41 E N 1.424 121.644 120.200 0.034 0.000 2.466 41 E HA 0.192 4.542 4.350 -0.000 0.000 0.308 41 E C -1.410 175.219 176.600 0.049 0.000 0.933 41 E CA -0.749 55.651 56.400 0.000 0.000 0.800 41 E CB 0.737 30.402 29.700 -0.058 0.000 1.434 41 E HN 0.919 nan 8.360 nan 0.000 0.389 42 H N 3.083 122.138 119.070 -0.025 0.000 2.492 42 H HA 0.538 5.094 4.556 -0.000 0.000 0.345 42 H C -1.202 174.108 175.328 -0.029 0.000 1.136 42 H CA -0.864 55.171 56.048 -0.021 0.000 1.202 42 H CB 1.473 31.232 29.762 -0.006 0.000 1.524 42 H HN 0.359 nan 8.280 nan 0.000 0.506 43 N N 4.402 123.077 118.700 -0.042 0.000 2.549 43 N HA 0.129 4.869 4.740 -0.000 0.000 0.281 43 N C -2.849 172.642 175.510 -0.032 0.000 1.084 43 N CA -1.472 51.520 53.050 -0.096 0.000 0.862 43 N CB 2.476 40.909 38.487 -0.090 0.000 1.333 43 N HN 0.481 nan 8.380 nan 0.000 0.523 44 P HA -0.090 nan 4.420 nan 0.000 0.235 44 P C -0.325 176.919 177.300 -0.092 0.000 1.080 44 P CA 0.430 63.526 63.100 -0.006 0.000 1.096 44 P CB 0.235 31.940 31.700 0.007 0.000 1.085 45 A N 4.151 126.882 122.820 -0.148 0.000 3.078 45 A HA 0.390 4.710 4.320 -0.000 0.000 0.206 45 A C 0.981 178.324 177.584 -0.402 0.000 1.967 45 A CA 0.446 52.238 52.037 -0.408 0.000 1.845 45 A CB -0.091 18.636 19.000 -0.456 0.000 1.345 45 A HN 0.505 nan 8.150 nan 0.000 0.393 46 H N -1.763 117.321 119.070 0.022 0.000 3.580 46 H HA 0.293 4.849 4.556 -0.000 0.000 0.245 46 H C 0.333 175.671 175.328 0.017 0.000 1.015 46 H CA 0.456 56.515 56.048 0.018 0.000 1.113 46 H CB -0.341 29.430 29.762 0.016 0.000 1.469 46 H HN 0.647 nan 8.280 nan 0.000 0.554 47 T N -1.155 113.528 114.554 0.216 0.000 2.864 47 T HA 0.877 5.227 4.350 -0.000 0.000 0.289 47 T C -0.661 174.088 174.700 0.081 0.000 1.082 47 T CA -0.593 61.581 62.100 0.124 0.000 1.009 47 T CB 2.445 71.380 68.868 0.112 0.000 1.234 47 T HN 0.494 nan 8.240 nan 0.000 0.526 48 A N 0.643 123.497 122.820 0.057 0.000 2.359 48 A HA 0.788 5.108 4.320 -0.000 0.000 0.303 48 A C -0.352 177.255 177.584 0.039 0.000 1.066 48 A CA -0.752 51.310 52.037 0.042 0.000 0.730 48 A CB 1.671 20.686 19.000 0.025 0.000 1.211 48 A HN 0.914 nan 8.150 nan 0.000 0.439 49 S N 1.296 117.019 115.700 0.038 0.000 2.532 49 S HA 0.705 5.174 4.470 -0.000 0.000 0.299 49 S C -0.973 173.645 174.600 0.030 0.000 1.105 49 S CA -0.370 57.853 58.200 0.039 0.000 1.018 49 S CB 0.989 64.213 63.200 0.040 0.000 1.021 49 S HN 0.970 nan 8.310 nan 0.000 0.483 50 V N 3.178 123.116 119.914 0.040 0.000 2.656 50 V HA 0.974 5.094 4.120 -0.000 0.000 0.307 50 V C 0.561 176.681 176.094 0.044 0.000 1.051 50 V CA -0.430 61.888 62.300 0.030 0.000 0.893 50 V CB 1.449 33.292 31.823 0.034 0.000 0.999 50 V HN 1.040 nan 8.190 nan 0.000 0.426 51 G N 1.266 110.063 108.800 -0.005 0.000 2.673 51 G HA2 0.547 4.507 3.960 -0.000 0.000 0.292 51 G HA3 0.547 4.507 3.960 -0.000 0.000 0.292 51 G C -1.971 172.844 174.900 -0.141 0.000 1.450 51 G CA -0.602 44.483 45.100 -0.025 0.000 0.837 51 G HN 0.755 nan 8.290 nan 0.000 0.505 52 V N 1.009 120.778 119.914 -0.242 0.000 2.370 52 V HA 0.654 4.774 4.120 -0.000 0.000 0.279 52 V C -0.543 175.190 176.094 -0.601 0.000 1.029 52 V CA -0.495 61.511 62.300 -0.490 0.000 0.870 52 V CB 1.132 32.517 31.823 -0.731 0.000 0.984 52 V HN 0.615 nan 8.190 nan 0.000 0.451 53 V N 8.313 127.907 119.914 -0.535 0.000 2.347 53 V HA 0.478 4.598 4.120 -0.000 0.000 0.280 53 V C -0.290 175.558 176.094 -0.410 0.000 1.021 53 V CA -0.412 61.649 62.300 -0.398 0.000 0.847 53 V CB 1.082 32.721 31.823 -0.307 0.000 0.990 53 V HN 0.744 nan 8.190 nan 0.000 0.444 54 F N 2.004 121.935 119.950 -0.031 0.000 2.404 54 F HA 0.494 5.021 4.527 -0.000 0.000 0.345 54 F C 1.487 177.364 175.800 0.128 0.000 1.110 54 F CA -0.394 57.630 58.000 0.039 0.000 1.130 54 F CB 1.414 40.474 39.000 0.101 0.000 1.129 54 F HN 0.579 nan 8.300 nan 0.000 0.500 55 G N 1.658 110.633 108.800 0.293 0.000 3.352 55 G HA2 0.207 4.167 3.960 -0.000 0.000 0.236 55 G HA3 0.207 4.167 3.960 -0.000 0.000 0.236 55 G C -0.312 174.735 174.900 0.246 0.000 1.324 55 G CA 0.045 45.288 45.100 0.237 0.000 1.404 55 G HN 0.448 nan 8.290 nan 0.000 0.542 56 S N -1.629 114.242 115.700 0.284 0.000 2.603 56 S HA 0.709 5.179 4.470 -0.000 0.000 0.274 56 S C 0.300 175.009 174.600 0.182 0.000 1.168 56 S CA -0.236 58.076 58.200 0.187 0.000 0.963 56 S CB 2.052 65.330 63.200 0.130 0.000 1.078 56 S HN 0.521 nan 8.310 nan 0.000 0.477 57 G N 1.026 109.866 108.800 0.067 0.000 3.247 57 G HA2 0.672 4.632 3.960 -0.000 0.000 0.199 57 G HA3 0.672 4.632 3.960 -0.000 0.000 0.199 57 G C 0.908 175.771 174.900 -0.061 0.000 1.172 57 G CA 0.025 45.122 45.100 -0.005 0.000 0.844 57 G HN 0.761 nan 8.290 nan 0.000 0.619 58 A N -0.448 122.287 122.820 -0.142 0.000 2.024 58 A HA 0.218 4.538 4.320 -0.000 0.000 0.220 58 A C 2.567 180.068 177.584 -0.138 0.000 1.164 58 A CA 2.573 54.513 52.037 -0.161 0.000 0.643 58 A CB -0.885 17.995 19.000 -0.201 0.000 0.806 58 A HN 1.455 nan 8.150 nan 0.000 0.451 59 A N -0.012 122.720 122.820 -0.147 0.000 2.125 59 A HA -0.131 4.188 4.320 -0.000 0.000 0.219 59 A C 1.574 179.125 177.584 -0.054 0.000 1.156 59 A CA 1.383 53.344 52.037 -0.126 0.000 0.671 59 A CB -0.433 18.479 19.000 -0.146 0.000 0.794 59 A HN 0.636 nan 8.150 nan 0.000 0.459 60 N N -0.174 118.507 118.700 -0.031 0.000 2.236 60 N HA 0.059 4.799 4.740 -0.000 0.000 0.196 60 N C -0.102 175.449 175.510 0.067 0.000 1.114 60 N CA 0.049 53.109 53.050 0.017 0.000 0.859 60 N CB 0.539 38.992 38.487 -0.057 0.000 0.982 60 N HN 0.638 nan 8.380 nan 0.000 0.493 61 E N 1.002 121.211 120.200 0.014 0.000 2.322 61 E HA 0.244 4.594 4.350 -0.000 0.000 0.257 61 E C -0.579 176.035 176.600 0.023 0.000 1.155 61 E CA -0.374 56.032 56.400 0.011 0.000 0.936 61 E CB 0.664 30.298 29.700 -0.109 0.000 1.130 61 E HN 0.080 nan 8.360 nan 0.000 0.465 62 N N 0.247 118.965 118.700 0.030 0.000 2.319 62 N HA 0.191 4.931 4.740 -0.000 0.000 0.305 62 N C -2.291 173.187 175.510 -0.053 0.000 1.103 62 N CA -1.456 51.616 53.050 0.036 0.000 0.815 62 N CB 1.348 39.908 38.487 0.122 0.000 1.288 62 N HN 0.109 nan 8.380 nan 0.000 0.493 63 P HA -0.167 nan 4.420 nan 0.000 0.221 63 P C -0.128 176.802 177.300 -0.617 0.000 1.141 63 P CA 1.424 64.279 63.100 -0.408 0.000 0.794 63 P CB 0.020 31.393 31.700 -0.546 0.000 0.764 64 Y N -1.698 118.599 120.300 -0.005 0.000 2.458 64 Y HA 0.144 4.694 4.550 -0.000 0.000 0.254 64 Y C 1.248 177.141 175.900 -0.012 0.000 1.120 64 Y CA 0.125 58.222 58.100 -0.005 0.000 1.282 64 Y CB -0.604 37.858 38.460 0.004 0.000 1.109 64 Y HN 0.123 nan 8.280 nan 0.000 0.526 65 N N -1.706 117.028 118.700 0.056 0.000 2.291 65 N HA 0.040 4.780 4.740 -0.000 0.000 0.244 65 N C -0.415 175.052 175.510 -0.072 0.000 1.216 65 N CA -0.354 52.702 53.050 0.011 0.000 0.879 65 N CB 0.044 38.554 38.487 0.037 0.000 1.167 65 N HN -0.119 nan 8.380 nan 0.000 0.515 66 N N 1.503 120.148 118.700 -0.091 0.000 2.365 66 N HA 0.101 4.841 4.740 -0.000 0.000 0.265 66 N C 1.128 176.560 175.510 -0.130 0.000 1.288 66 N CA 2.016 54.989 53.050 -0.128 0.000 0.869 66 N CB 0.431 38.836 38.487 -0.136 0.000 1.071 66 N HN 0.616 nan 8.380 nan 0.000 0.480 67 G N 1.774 110.478 108.800 -0.160 0.000 2.159 67 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.227 67 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.227 67 G C 0.882 175.689 174.900 -0.155 0.000 0.986 67 G CA 0.175 45.185 45.100 -0.150 0.000 0.651 67 G HN 0.572 nan 8.290 nan 0.000 0.523 68 V N 0.771 120.555 119.914 -0.217 0.000 2.490 68 V HA -0.103 4.017 4.120 -0.000 0.000 0.250 68 V C 2.563 178.550 176.094 -0.177 0.000 1.061 68 V CA 3.306 65.458 62.300 -0.247 0.000 1.064 68 V CB -0.169 31.411 31.823 -0.405 0.000 0.670 68 V HN 0.492 nan 8.190 nan 0.000 0.461 69 S N 0.400 115.982 115.700 -0.197 0.000 2.395 69 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 69 S C 1.815 176.485 174.600 0.117 0.000 1.027 69 S CA 1.219 59.445 58.200 0.043 0.000 0.965 69 S CB -0.510 62.666 63.200 -0.040 0.000 0.812 69 S HN 0.711 nan 8.310 nan 0.000 0.482 70 N N 1.653 120.348 118.700 -0.009 0.000 2.289 70 N HA -0.018 4.722 4.740 -0.000 0.000 0.184 70 N C 1.535 177.063 175.510 0.032 0.000 1.016 70 N CA 0.657 53.701 53.050 -0.011 0.000 0.872 70 N CB -0.368 38.067 38.487 -0.087 0.000 0.973 70 N HN 0.155 nan 8.380 nan 0.000 0.433 71 L N -0.803 120.419 121.223 -0.001 0.000 2.044 71 L HA -0.051 4.288 4.340 -0.000 0.000 0.205 71 L C 1.811 178.717 176.870 0.059 0.000 1.075 71 L CA 1.246 56.059 54.840 -0.045 0.000 0.747 71 L CB -1.427 40.547 42.059 -0.142 0.000 0.903 71 L HN 0.343 nan 8.230 nan 0.000 0.435 72 W N 0.726 122.145 121.300 0.198 0.000 2.338 72 W HA -0.268 4.392 4.660 -0.000 0.000 0.304 72 W C 2.738 179.514 176.519 0.429 0.000 1.212 72 W CA 1.614 59.164 57.345 0.343 0.000 1.264 72 W CB -0.063 29.710 29.460 0.522 0.000 1.142 72 W HN 0.124 nan 8.180 nan 0.000 0.512 73 K N 0.398 121.170 120.400 0.620 0.000 2.057 73 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 73 K C 1.748 178.593 176.600 0.407 0.000 1.049 73 K CA 1.724 58.308 56.287 0.495 0.000 0.931 73 K CB -0.612 32.016 32.500 0.214 0.000 0.714 73 K HN 0.120 nan 8.250 nan 0.000 0.440 74 N N 1.074 119.927 118.700 0.255 0.000 2.244 74 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 74 N C 1.972 177.587 175.510 0.174 0.000 1.016 74 N CA 1.555 54.704 53.050 0.165 0.000 0.866 74 N CB -0.060 38.458 38.487 0.053 0.000 0.980 74 N HN 0.466 nan 8.380 nan 0.000 0.430 75 I N -2.488 118.206 120.570 0.206 0.000 2.716 75 I HA -0.056 4.114 4.170 -0.000 0.000 0.259 75 I C 2.087 178.354 176.117 0.250 0.000 1.172 75 I CA 0.654 62.057 61.300 0.172 0.000 1.478 75 I CB -0.562 37.507 38.000 0.114 0.000 1.104 75 I HN -0.146 nan 8.210 nan 0.000 0.439 76 F N 2.546 122.639 119.950 0.238 0.000 2.234 76 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 76 F C 1.723 177.657 175.800 0.223 0.000 1.087 76 F CA 1.505 59.646 58.000 0.235 0.000 1.340 76 F CB 0.076 39.305 39.000 0.383 0.000 1.031 76 F HN -0.042 nan 8.300 nan 0.000 0.500 77 L N -0.311 121.126 121.223 0.357 0.000 2.653 77 L HA 0.148 4.488 4.340 -0.000 0.000 0.231 77 L C 1.091 178.024 176.870 0.105 0.000 1.153 77 L CA -0.295 54.675 54.840 0.217 0.000 0.933 77 L CB -0.768 41.441 42.059 0.251 0.000 1.175 77 L HN -0.018 nan 8.230 nan 0.000 0.473 78 S N 0.579 116.330 115.700 0.084 0.000 2.566 78 S HA -0.079 4.391 4.470 -0.000 0.000 0.280 78 S C 1.429 176.046 174.600 0.028 0.000 1.343 78 S CA -0.003 58.226 58.200 0.049 0.000 1.036 78 S CB 1.007 64.233 63.200 0.043 0.000 0.866 78 S HN 0.359 nan 8.310 nan 0.000 0.526 79 K N 2.270 122.682 120.400 0.020 0.000 2.103 79 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 79 K C 1.898 178.506 176.600 0.013 0.000 1.048 79 K CA 1.922 58.216 56.287 0.013 0.000 0.930 79 K CB -0.147 32.358 32.500 0.008 0.000 0.716 79 K HN 0.749 nan 8.250 nan 0.000 0.444 80 E N 0.050 120.259 120.200 0.015 0.000 2.031 80 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 80 E C 1.885 178.502 176.600 0.028 0.000 0.994 80 E CA 1.383 57.793 56.400 0.017 0.000 0.800 80 E CB -0.155 29.553 29.700 0.014 0.000 0.752 80 E HN 0.298 nan 8.360 nan 0.000 0.447 81 N N 0.018 118.734 118.700 0.027 0.000 2.309 81 N HA -0.079 4.661 4.740 -0.000 0.000 0.182 81 N C 1.647 177.215 175.510 0.097 0.000 1.018 81 N CA 0.924 54.008 53.050 0.057 0.000 0.876 81 N CB 0.118 38.593 38.487 -0.021 0.000 0.972 81 N HN -0.099 nan 8.380 nan 0.000 0.434 82 S N -0.733 114.979 115.700 0.019 0.000 2.395 82 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 82 S C 1.894 176.466 174.600 -0.045 0.000 1.027 82 S CA 0.713 58.893 58.200 -0.034 0.000 0.965 82 S CB -0.252 62.936 63.200 -0.019 0.000 0.812 82 S HN 0.540 nan 8.310 nan 0.000 0.482 83 A N 1.122 123.937 122.820 -0.008 0.000 1.972 83 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 83 A C 2.212 179.795 177.584 -0.002 0.000 1.169 83 A CA 1.267 53.299 52.037 -0.008 0.000 0.635 83 A CB -0.758 18.245 19.000 0.005 0.000 0.810 83 A HN 0.336 nan 8.150 nan 0.000 0.446 84 V N -0.142 119.797 119.914 0.043 0.000 2.216 84 V HA -0.250 3.870 4.120 -0.000 0.000 0.243 84 V C 3.048 179.149 176.094 0.012 0.000 1.044 84 V CA 2.079 64.440 62.300 0.101 0.000 0.995 84 V CB -1.371 30.617 31.823 0.274 0.000 0.633 84 V HN 0.583 nan 8.190 nan 0.000 0.446 85 A N -0.293 122.407 122.820 -0.200 0.000 2.076 85 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 85 A C 2.340 179.751 177.584 -0.288 0.000 1.160 85 A CA 2.067 53.755 52.037 -0.582 0.000 0.653 85 A CB -0.716 17.424 19.000 -1.432 0.000 0.801 85 A HN 0.620 nan 8.150 nan 0.000 0.455 86 A N -0.037 122.676 122.820 -0.178 0.000 1.855 86 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 86 A C 2.117 179.659 177.584 -0.069 0.000 1.191 86 A CA 1.646 53.619 52.037 -0.107 0.000 0.613 86 A CB -0.408 18.550 19.000 -0.069 0.000 0.829 86 A HN 0.357 nan 8.150 nan 0.000 0.442 87 K N -0.438 119.934 120.400 -0.046 0.000 2.074 87 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 87 K C 1.859 178.444 176.600 -0.024 0.000 1.048 87 K CA 1.846 58.119 56.287 -0.023 0.000 0.926 87 K CB -0.292 32.205 32.500 -0.005 0.000 0.713 87 K HN 0.527 nan 8.250 nan 0.000 0.444 88 E N -0.386 119.793 120.200 -0.034 0.000 2.347 88 E HA -0.059 4.290 4.350 -0.000 0.000 0.196 88 E C 0.520 177.096 176.600 -0.040 0.000 1.008 88 E CA 0.849 57.233 56.400 -0.027 0.000 0.852 88 E CB -0.027 29.662 29.700 -0.019 0.000 0.783 88 E HN 0.481 nan 8.360 nan 0.000 0.505 89 G N -0.122 108.641 108.800 -0.061 0.000 2.203 89 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.231 89 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.231 89 G C -0.549 174.310 174.900 -0.069 0.000 1.058 89 G CA 0.205 45.273 45.100 -0.054 0.000 0.781 89 G HN 0.102 nan 8.290 nan 0.000 0.496 90 L N 0.127 121.277 121.223 -0.123 0.000 2.322 90 L HA 0.950 5.290 4.340 -0.000 0.000 0.269 90 L C 0.572 177.357 176.870 -0.140 0.000 1.012 90 L CA -0.416 54.338 54.840 -0.143 0.000 0.815 90 L CB 1.866 43.775 42.059 -0.250 0.000 1.295 90 L HN 0.663 nan 8.230 nan 0.000 0.438 91 A N 2.364 125.133 122.820 -0.085 0.000 2.331 91 A HA 0.799 5.119 4.320 -0.000 0.000 0.320 91 A C -1.076 176.507 177.584 -0.001 0.000 1.138 91 A CA -0.461 51.551 52.037 -0.042 0.000 0.790 91 A CB 0.597 19.595 19.000 -0.003 0.000 1.206 91 A HN 0.601 nan 8.150 nan 0.000 0.470 92 L N 1.853 123.092 121.223 0.026 0.000 2.296 92 L HA 0.609 4.949 4.340 -0.000 0.000 0.286 92 L C 0.123 177.128 176.870 0.226 0.000 1.023 92 L CA -0.243 54.699 54.840 0.170 0.000 0.812 92 L CB 1.798 43.930 42.059 0.121 0.000 1.223 92 L HN 0.644 nan 8.230 nan 0.000 0.421 93 S N 1.410 117.283 115.700 0.288 0.000 2.619 93 S HA 0.547 5.017 4.470 -0.000 0.000 0.280 93 S C -0.950 173.743 174.600 0.154 0.000 1.150 93 S CA -0.406 57.909 58.200 0.192 0.000 0.978 93 S CB 2.056 65.322 63.200 0.111 0.000 1.041 93 S HN 0.608 nan 8.310 nan 0.000 0.485 94 S N 2.936 118.695 115.700 0.099 0.000 2.599 94 S HA 0.729 5.198 4.470 -0.000 0.000 0.294 94 S C -1.537 173.015 174.600 -0.080 0.000 1.094 94 S CA -0.672 57.479 58.200 -0.082 0.000 0.931 94 S CB 1.395 64.547 63.200 -0.080 0.000 1.093 94 S HN 0.752 nan 8.310 nan 0.000 0.488 95 N N 2.777 121.376 118.700 -0.169 0.000 2.406 95 N HA 0.298 5.038 4.740 -0.000 0.000 0.283 95 N C -1.846 173.581 175.510 -0.137 0.000 1.074 95 N CA -0.403 52.591 53.050 -0.094 0.000 0.916 95 N CB 1.206 39.686 38.487 -0.011 0.000 1.639 95 N HN 0.511 nan 8.380 nan 0.000 0.485 96 I N 1.763 122.252 120.570 -0.135 0.000 2.412 96 I HA 0.379 4.549 4.170 -0.000 0.000 0.296 96 I C 0.770 176.731 176.117 -0.260 0.000 0.987 96 I CA -0.233 60.966 61.300 -0.168 0.000 1.180 96 I CB 1.133 39.062 38.000 -0.119 0.000 1.340 96 I HN 0.521 nan 8.210 nan 0.000 0.455 97 S N 5.175 120.634 115.700 -0.402 0.000 3.081 97 S HA 0.553 5.023 4.470 -0.000 0.000 0.316 97 S C 0.981 175.330 174.600 -0.418 0.000 1.089 97 S CA -0.461 57.438 58.200 -0.502 0.000 0.897 97 S CB 1.589 64.206 63.200 -0.971 0.000 1.358 97 S HN 0.615 nan 8.310 nan 0.000 0.678 98 R N 0.130 120.377 120.500 -0.423 0.000 2.074 98 R HA 0.191 4.531 4.340 -0.000 0.000 0.218 98 R C 1.128 177.271 176.300 -0.261 0.000 1.137 98 R CA 0.999 56.874 56.100 -0.375 0.000 0.998 98 R CB -0.433 29.517 30.300 -0.583 0.000 0.895 98 R HN 0.549 nan 8.270 nan 0.000 0.442 99 D N 0.205 120.489 120.400 -0.193 0.000 2.194 99 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 99 D C 0.710 177.077 176.300 0.112 0.000 0.964 99 D CA 1.166 55.171 54.000 0.008 0.000 0.846 99 D CB 0.241 41.152 40.800 0.186 0.000 0.962 99 D HN 0.084 nan 8.370 nan 0.000 0.490 100 F N -0.460 119.509 119.950 0.032 0.000 3.084 100 F HA 0.562 5.089 4.527 -0.000 0.000 0.336 100 F C -1.401 174.426 175.800 0.044 0.000 1.230 100 F CA -1.139 56.894 58.000 0.055 0.000 0.993 100 F CB 0.978 39.998 39.000 0.034 0.000 1.496 100 F HN -0.210 nan 8.300 nan 0.000 0.522 101 Q N 0.711 120.768 119.800 0.428 0.000 2.666 101 Q HA 0.607 4.947 4.340 -0.000 0.000 0.276 101 Q C -2.039 174.054 176.000 0.156 0.000 0.952 101 Q CA -0.759 55.153 55.803 0.182 0.000 0.850 101 Q CB 1.846 30.642 28.738 0.096 0.000 1.512 101 Q HN 1.202 nan 8.270 nan 0.000 0.395 102 S N 0.257 115.854 115.700 -0.170 0.000 2.618 102 S HA 0.795 5.264 4.470 -0.000 0.000 0.277 102 S C -1.639 172.454 174.600 -0.845 0.000 1.138 102 S CA -0.694 57.289 58.200 -0.361 0.000 0.844 102 S CB 1.238 64.347 63.200 -0.152 0.000 1.127 102 S HN 0.591 nan 8.310 nan 0.000 0.474 103 Y N 0.148 120.296 120.300 -0.253 0.000 2.322 103 Y HA 0.635 5.185 4.550 -0.000 0.000 0.324 103 Y C -0.476 175.325 175.900 -0.166 0.000 1.027 103 Y CA -0.737 57.112 58.100 -0.419 0.000 1.179 103 Y CB 1.313 39.375 38.460 -0.664 0.000 1.136 103 Y HN 0.610 nan 8.280 nan 0.000 0.449 104 I N 3.586 124.199 120.570 0.071 0.000 2.569 104 I HA 0.656 4.826 4.170 -0.000 0.000 0.296 104 I C -0.993 175.267 176.117 0.239 0.000 1.028 104 I CA -1.302 60.075 61.300 0.128 0.000 1.082 104 I CB 2.230 40.260 38.000 0.049 0.000 1.264 104 I HN 0.194 nan 8.210 nan 0.000 0.429 105 V N 3.682 123.714 119.914 0.197 0.000 2.531 105 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 105 V C -0.260 175.887 176.094 0.088 0.000 1.034 105 V CA -0.446 61.955 62.300 0.167 0.000 0.865 105 V CB 1.764 33.711 31.823 0.207 0.000 0.995 105 V HN 0.744 nan 8.190 nan 0.000 0.424 106 S N 2.960 118.693 115.700 0.056 0.000 2.509 106 S HA 0.906 5.376 4.470 -0.000 0.000 0.297 106 S C -0.049 174.560 174.600 0.015 0.000 1.118 106 S CA -0.397 57.826 58.200 0.038 0.000 1.074 106 S CB 1.766 64.989 63.200 0.038 0.000 1.038 106 S HN 1.093 nan 8.310 nan 0.000 0.498 107 S N 1.966 117.677 115.700 0.019 0.000 2.757 107 S HA 0.627 5.097 4.470 -0.000 0.000 0.285 107 S C -1.524 173.088 174.600 0.020 0.000 1.196 107 S CA -0.864 57.342 58.200 0.009 0.000 0.856 107 S CB 0.154 63.357 63.200 0.005 0.000 1.212 107 S HN 0.328 nan 8.310 nan 0.000 0.516 108 L N 2.944 124.177 121.223 0.015 0.000 2.452 108 L HA 0.427 4.767 4.340 -0.000 0.000 0.267 108 L C -0.946 175.937 176.870 0.021 0.000 1.188 108 L CA -1.778 53.076 54.840 0.022 0.000 0.821 108 L CB -0.303 41.766 42.059 0.017 0.000 1.102 108 L HN 0.581 nan 8.230 nan 0.000 0.470 109 P HA -0.194 nan 4.420 nan 0.000 0.219 109 P C 1.128 178.430 177.300 0.003 0.000 1.153 109 P CA 1.990 65.099 63.100 0.016 0.000 0.865 109 P CB 0.259 31.970 31.700 0.019 0.000 0.788 110 G N -1.070 107.733 108.800 0.004 0.000 2.539 110 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.215 110 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.215 110 G C 1.298 176.198 174.900 0.001 0.000 1.141 110 G CA 0.123 45.222 45.100 -0.001 0.000 0.806 110 G HN 0.233 nan 8.290 nan 0.000 0.533 111 S N 0.592 116.296 115.700 0.006 0.000 2.851 111 S HA 0.026 4.496 4.470 -0.000 0.000 0.227 111 S C 2.066 176.673 174.600 0.013 0.000 0.958 111 S CA 0.662 58.867 58.200 0.009 0.000 0.990 111 S CB -0.164 63.041 63.200 0.008 0.000 0.790 111 S HN 0.455 nan 8.310 nan 0.000 0.509 112 T N 1.672 116.230 114.554 0.007 0.000 2.849 112 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 112 T C 1.291 176.001 174.700 0.016 0.000 1.066 112 T CA 1.473 63.578 62.100 0.009 0.000 1.130 112 T CB -0.239 68.624 68.868 -0.008 0.000 0.864 112 T HN 0.295 nan 8.240 nan 0.000 0.481 113 D N 0.343 120.751 120.400 0.014 0.000 2.137 113 D HA 0.038 4.678 4.640 -0.000 0.000 0.202 113 D C 2.212 178.536 176.300 0.039 0.000 0.970 113 D CA 0.856 54.867 54.000 0.020 0.000 0.837 113 D CB -0.212 40.595 40.800 0.011 0.000 0.981 113 D HN 0.287 nan 8.370 nan 0.000 0.475 114 K N 0.618 121.041 120.400 0.039 0.000 2.113 114 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 114 K C 2.117 178.771 176.600 0.089 0.000 1.047 114 K CA 0.863 57.182 56.287 0.054 0.000 0.928 114 K CB -0.175 32.344 32.500 0.032 0.000 0.716 114 K HN -0.063 nan 8.250 nan 0.000 0.446 115 S N 0.525 116.273 115.700 0.080 0.000 2.345 115 S HA -0.071 4.399 4.470 -0.000 0.000 0.220 115 S C 1.837 176.535 174.600 0.163 0.000 1.031 115 S CA 1.073 59.345 58.200 0.119 0.000 0.996 115 S CB -0.318 62.934 63.200 0.085 0.000 0.882 115 S HN 0.174 nan 8.310 nan 0.000 0.445 116 L N 1.613 122.899 121.223 0.105 0.000 2.081 116 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 116 L C 2.158 179.090 176.870 0.102 0.000 1.080 116 L CA 1.180 56.073 54.840 0.089 0.000 0.754 116 L CB -0.698 41.389 42.059 0.046 0.000 0.893 116 L HN 0.221 nan 8.230 nan 0.000 0.433 117 D N -0.524 119.939 120.400 0.106 0.000 2.097 117 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 117 D C 1.920 178.289 176.300 0.115 0.000 0.984 117 D CA 1.234 55.291 54.000 0.094 0.000 0.826 117 D CB -0.245 40.607 40.800 0.087 0.000 0.973 117 D HN 0.219 nan 8.370 nan 0.000 0.460 118 F N 1.165 121.140 119.950 0.041 0.000 2.134 118 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 118 F C 2.051 177.901 175.800 0.083 0.000 1.097 118 F CA 0.815 58.838 58.000 0.038 0.000 1.264 118 F CB -0.056 38.960 39.000 0.026 0.000 1.001 118 F HN -0.097 nan 8.300 nan 0.000 0.479 119 L N 0.917 122.295 121.223 0.260 0.000 2.017 119 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 119 L C 2.051 179.041 176.870 0.200 0.000 1.073 119 L CA 2.106 57.123 54.840 0.296 0.000 0.745 119 L CB -1.519 40.717 42.059 0.296 0.000 0.894 119 L HN 0.346 nan 8.230 nan 0.000 0.432 120 N N -0.765 118.004 118.700 0.115 0.000 2.381 120 N HA -0.226 4.514 4.740 -0.000 0.000 0.182 120 N C 1.785 177.308 175.510 0.022 0.000 1.025 120 N CA 0.584 53.684 53.050 0.083 0.000 0.888 120 N CB 0.202 38.721 38.487 0.053 0.000 0.965 120 N HN 0.528 nan 8.380 nan 0.000 0.438 121 Q N -0.009 119.751 119.800 -0.066 0.000 2.137 121 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 121 Q C 1.272 177.138 176.000 -0.223 0.000 0.960 121 Q CA 0.902 56.619 55.803 -0.145 0.000 0.847 121 Q CB 0.188 28.801 28.738 -0.208 0.000 0.915 121 Q HN 0.229 nan 8.270 nan 0.000 0.448 122 S N -0.366 115.136 115.700 -0.331 0.000 2.496 122 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 122 S C 0.506 174.842 174.600 -0.440 0.000 0.996 122 S CA 0.270 58.208 58.200 -0.435 0.000 0.927 122 S CB 0.114 62.941 63.200 -0.622 0.000 0.774 122 S HN 0.333 nan 8.310 nan 0.000 0.524 123 F N 0.060 119.973 119.950 -0.062 0.000 2.698 123 F HA 0.519 5.046 4.527 -0.000 0.000 0.304 123 F C 0.960 176.749 175.800 -0.018 0.000 1.108 123 F CA -0.082 57.896 58.000 -0.037 0.000 1.263 123 F CB 0.345 39.329 39.000 -0.027 0.000 1.013 123 F HN 0.114 nan 8.300 nan 0.000 0.532 124 I N -1.926 118.692 120.570 0.080 0.000 3.639 124 I HA -0.089 4.081 4.170 -0.000 0.000 0.265 124 I C 2.026 178.152 176.117 0.014 0.000 1.087 124 I CA 0.219 61.552 61.300 0.055 0.000 1.427 124 I CB 0.101 38.132 38.000 0.052 0.000 1.824 124 I HN -0.108 nan 8.210 nan 0.000 0.391 125 Q N 1.617 121.409 119.800 -0.013 0.000 2.008 125 Q HA -0.118 4.222 4.340 -0.000 0.000 0.196 125 Q C 1.568 177.547 176.000 -0.036 0.000 0.973 125 Q CA 1.577 57.366 55.803 -0.024 0.000 0.826 125 Q CB 0.025 28.743 28.738 -0.033 0.000 0.894 125 Q HN 0.402 nan 8.270 nan 0.000 0.439 126 Q N 0.541 120.297 119.800 -0.073 0.000 2.344 126 Q HA -0.032 4.307 4.340 -0.000 0.000 0.212 126 Q C 0.281 176.247 176.000 -0.056 0.000 0.943 126 Q CA 0.070 55.824 55.803 -0.081 0.000 0.955 126 Q CB 0.231 28.883 28.738 -0.144 0.000 1.000 126 Q HN -0.044 nan 8.270 nan 0.000 0.488 127 K N -0.982 119.404 120.400 -0.023 0.000 2.504 127 K HA 0.125 4.445 4.320 -0.000 0.000 0.199 127 K C 0.521 177.156 176.600 0.059 0.000 1.028 127 K CA 0.181 56.487 56.287 0.031 0.000 1.164 127 K CB 0.257 32.783 32.500 0.045 0.000 0.877 127 K HN 0.261 nan 8.250 nan 0.000 0.508 128 A N -1.075 121.760 122.820 0.025 0.000 2.074 128 A HA 0.232 4.552 4.320 -0.000 0.000 0.200 128 A C 0.610 178.198 177.584 0.007 0.000 1.335 128 A CA -0.033 52.014 52.037 0.016 0.000 0.922 128 A CB -0.013 18.989 19.000 0.004 0.000 0.972 128 A HN 0.315 nan 8.150 nan 0.000 0.475 129 N N -1.045 117.655 118.700 -0.000 0.000 2.431 129 N HA 0.541 5.280 4.740 -0.000 0.000 0.289 129 N C 0.522 176.037 175.510 0.009 0.000 1.277 129 N CA 0.048 53.095 53.050 -0.005 0.000 0.972 129 N CB 0.590 39.065 38.487 -0.020 0.000 1.143 129 N HN 0.168 nan 8.380 nan 0.000 0.578 130 L N -1.626 119.602 121.223 0.009 0.000 3.888 130 L HA -0.357 3.983 4.340 -0.000 0.000 0.362 130 L C 1.031 177.927 176.870 0.043 0.000 0.963 130 L CA 1.170 56.029 54.840 0.030 0.000 2.926 130 L CB -1.016 41.068 42.059 0.042 0.000 0.851 130 L HN 0.508 nan 8.230 nan 0.000 0.728 131 L N 1.318 122.554 121.223 0.021 0.000 2.675 131 L HA 0.045 4.385 4.340 -0.000 0.000 0.238 131 L C 1.265 178.099 176.870 -0.060 0.000 1.155 131 L CA 0.361 55.172 54.840 -0.048 0.000 0.881 131 L CB -0.409 41.617 42.059 -0.056 0.000 1.008 131 L HN 0.413 nan 8.230 nan 0.000 0.443 132 S N -1.442 114.257 115.700 -0.002 0.000 2.548 132 S HA 0.264 4.734 4.470 -0.000 0.000 0.277 132 S C 0.540 175.165 174.600 0.042 0.000 1.315 132 S CA -0.812 57.389 58.200 0.003 0.000 1.050 132 S CB 1.238 64.444 63.200 0.010 0.000 0.918 132 S HN 0.118 nan 8.310 nan 0.000 0.497 133 S N 2.640 118.357 115.700 0.029 0.000 2.580 133 S HA 0.230 4.700 4.470 -0.000 0.000 0.261 133 S C 1.157 175.800 174.600 0.072 0.000 1.366 133 S CA 0.074 58.319 58.200 0.076 0.000 0.996 133 S CB 0.088 63.313 63.200 0.042 0.000 0.902 133 S HN 1.084 nan 8.310 nan 0.000 0.566 134 S N -0.050 115.696 115.700 0.077 0.000 2.829 134 S HA -0.245 4.224 4.470 -0.000 0.000 0.267 134 S C 1.049 175.671 174.600 0.035 0.000 1.293 134 S CA 1.616 59.841 58.200 0.042 0.000 1.375 134 S CB -1.282 61.934 63.200 0.026 0.000 1.700 134 S HN 0.826 nan 8.310 nan 0.000 0.668 135 N N -0.456 118.280 118.700 0.061 0.000 2.516 135 N HA 0.306 5.046 4.740 -0.000 0.000 0.197 135 N C 1.054 176.600 175.510 0.059 0.000 1.064 135 N CA 0.666 53.745 53.050 0.047 0.000 0.866 135 N CB -0.201 38.317 38.487 0.051 0.000 1.255 135 N HN 0.353 nan 8.380 nan 0.000 0.447 136 F N 1.507 121.427 119.950 -0.050 0.000 2.270 136 F HA 0.269 4.796 4.527 -0.000 0.000 0.295 136 F C 1.846 177.609 175.800 -0.061 0.000 1.087 136 F CA 0.964 58.921 58.000 -0.073 0.000 1.365 136 F CB 0.103 39.048 39.000 -0.091 0.000 1.056 136 F HN -0.046 nan 8.300 nan 0.000 0.506 137 E N 0.648 120.856 120.200 0.013 0.000 2.204 137 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 137 E C 2.262 178.782 176.600 -0.132 0.000 0.989 137 E CA 0.971 57.327 56.400 -0.073 0.000 0.824 137 E CB -0.457 29.265 29.700 0.036 0.000 0.756 137 E HN 0.524 nan 8.360 nan 0.000 0.477 138 A N 0.545 123.307 122.820 -0.098 0.000 1.903 138 A HA -0.043 4.277 4.320 -0.000 0.000 0.213 138 A C 2.379 179.889 177.584 -0.124 0.000 1.185 138 A CA 1.341 53.327 52.037 -0.084 0.000 0.628 138 A CB -0.513 18.462 19.000 -0.042 0.000 0.830 138 A HN 0.152 nan 8.150 nan 0.000 0.446 139 T N -0.279 114.174 114.554 -0.168 0.000 2.867 139 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 139 T C 1.949 176.484 174.700 -0.275 0.000 1.057 139 T CA 1.560 63.549 62.100 -0.185 0.000 1.136 139 T CB -0.118 68.646 68.868 -0.175 0.000 0.874 139 T HN 0.554 nan 8.240 nan 0.000 0.466 140 K N 1.167 121.308 120.400 -0.431 0.000 2.057 140 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 140 K C 2.323 178.784 176.600 -0.231 0.000 1.049 140 K CA 1.249 57.276 56.287 -0.434 0.000 0.931 140 K CB -0.060 32.104 32.500 -0.559 0.000 0.714 140 K HN 0.163 nan 8.250 nan 0.000 0.440 141 K N 0.069 120.364 120.400 -0.175 0.000 2.288 141 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 141 K C 2.063 178.610 176.600 -0.087 0.000 1.048 141 K CA 1.018 57.240 56.287 -0.108 0.000 0.956 141 K CB 0.021 32.474 32.500 -0.080 0.000 0.746 141 K HN 0.052 nan 8.250 nan 0.000 0.461 142 S N 0.388 116.030 115.700 -0.096 0.000 2.335 142 S HA -0.104 4.366 4.470 -0.000 0.000 0.217 142 S C 1.895 176.455 174.600 -0.067 0.000 1.032 142 S CA 1.334 59.493 58.200 -0.068 0.000 0.985 142 S CB -0.270 62.893 63.200 -0.061 0.000 0.896 142 S HN 0.289 nan 8.310 nan 0.000 0.445 143 V N 0.064 119.925 119.914 -0.089 0.000 3.241 143 V HA 0.093 4.213 4.120 -0.000 0.000 0.269 143 V C 1.967 178.014 176.094 -0.078 0.000 1.151 143 V CA 1.188 63.438 62.300 -0.084 0.000 1.158 143 V CB -0.705 31.057 31.823 -0.102 0.000 0.764 143 V HN 0.385 nan 8.190 nan 0.000 0.508 144 L N 0.239 121.416 121.223 -0.077 0.000 2.145 144 L HA 0.213 4.553 4.340 -0.000 0.000 0.201 144 L C 2.413 179.262 176.870 -0.036 0.000 1.075 144 L CA 1.750 56.555 54.840 -0.059 0.000 0.773 144 L CB -0.557 41.462 42.059 -0.065 0.000 0.936 144 L HN 0.285 nan 8.230 nan 0.000 0.451 145 K N -0.947 119.432 120.400 -0.034 0.000 2.525 145 K HA -0.105 4.214 4.320 -0.000 0.000 0.192 145 K C 1.686 178.279 176.600 -0.011 0.000 1.029 145 K CA 0.463 56.739 56.287 -0.020 0.000 1.029 145 K CB 0.343 32.830 32.500 -0.022 0.000 0.814 145 K HN 0.421 nan 8.250 nan 0.000 0.503 146 Q N -0.431 119.359 119.800 -0.017 0.000 2.263 146 Q HA -0.004 4.336 4.340 -0.000 0.000 0.196 146 Q C 1.785 177.792 176.000 0.011 0.000 0.965 146 Q CA 0.381 56.179 55.803 -0.009 0.000 0.851 146 Q CB 0.318 29.037 28.738 -0.031 0.000 0.948 146 Q HN 0.090 nan 8.270 nan 0.000 0.516 147 V N 1.650 121.554 119.914 -0.016 0.000 2.490 147 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 147 V C 2.329 178.477 176.094 0.090 0.000 1.061 147 V CA 2.191 64.490 62.300 -0.001 0.000 1.064 147 V CB -0.428 31.362 31.823 -0.054 0.000 0.670 147 V HN 0.471 nan 8.190 nan 0.000 0.461 148 Q N -0.289 119.540 119.800 0.048 0.000 2.083 148 Q HA -0.256 4.084 4.340 -0.000 0.000 0.198 148 Q C 2.033 178.062 176.000 0.048 0.000 0.969 148 Q CA 2.061 57.892 55.803 0.046 0.000 0.838 148 Q CB -0.136 28.611 28.738 0.015 0.000 0.900 148 Q HN 0.722 nan 8.270 nan 0.000 0.436 149 D N -0.625 119.800 120.400 0.043 0.000 2.149 149 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 149 D C 1.564 177.880 176.300 0.027 0.000 0.990 149 D CA 1.268 55.281 54.000 0.021 0.000 0.839 149 D CB -0.156 40.656 40.800 0.021 0.000 0.948 149 D HN 0.376 nan 8.370 nan 0.000 0.460 150 F N 0.912 120.812 119.950 -0.083 0.000 2.128 150 F HA -0.014 4.513 4.527 -0.000 0.000 0.295 150 F C 2.063 177.792 175.800 -0.118 0.000 1.100 150 F CA 0.980 58.918 58.000 -0.102 0.000 1.260 150 F CB -0.180 38.775 39.000 -0.076 0.000 1.009 150 F HN -0.178 nan 8.300 nan 0.000 0.476 151 E N 0.130 120.328 120.200 -0.002 0.000 2.418 151 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 151 E C 1.442 177.947 176.600 -0.158 0.000 1.026 151 E CA 1.016 57.348 56.400 -0.112 0.000 0.862 151 E CB -0.377 29.383 29.700 0.100 0.000 0.799 151 E HN 0.448 nan 8.360 nan 0.000 0.518 152 D N -1.237 119.067 120.400 -0.160 0.000 2.388 152 D HA 0.072 4.712 4.640 -0.000 0.000 0.208 152 D C 0.764 176.900 176.300 -0.272 0.000 1.035 152 D CA 0.414 54.334 54.000 -0.134 0.000 0.875 152 D CB 0.409 41.170 40.800 -0.065 0.000 0.984 152 D HN 0.107 nan 8.370 nan 0.000 0.508 153 N N -0.302 118.127 118.700 -0.450 0.000 2.272 153 N HA -0.048 4.692 4.740 -0.000 0.000 0.228 153 N C -0.270 174.687 175.510 -0.921 0.000 1.206 153 N CA -0.062 52.596 53.050 -0.653 0.000 0.855 153 N CB 0.625 38.933 38.487 -0.299 0.000 1.248 153 N HN -0.053 nan 8.380 nan 0.000 0.476 154 D N 1.096 121.053 120.400 -0.738 0.000 2.713 154 D HA 0.105 4.744 4.640 -0.000 0.000 0.229 154 D C 0.942 176.795 176.300 -0.745 0.000 1.136 154 D CA -0.185 53.433 54.000 -0.637 0.000 1.010 154 D CB -0.223 40.337 40.800 -0.400 0.000 1.084 154 D HN 0.240 nan 8.370 nan 0.000 0.495 155 H N 0.774 119.467 119.070 -0.628 0.000 2.265 155 H HA -0.130 4.426 4.556 -0.000 0.000 0.295 155 H C -0.667 174.327 175.328 -0.557 0.000 1.084 155 H CA 1.984 57.584 56.048 -0.747 0.000 1.261 155 H CB -1.085 27.857 29.762 -1.366 0.000 1.360 155 H HN 0.381 nan 8.280 nan 0.000 0.487 156 P HA -0.187 nan 4.420 nan 0.000 0.216 156 P C 0.727 178.035 177.300 0.013 0.000 1.153 156 P CA 1.686 64.747 63.100 -0.066 0.000 0.858 156 P CB 0.137 31.874 31.700 0.061 0.000 0.789 157 N N -0.674 118.008 118.700 -0.029 0.000 2.376 157 N HA -0.054 4.686 4.740 -0.000 0.000 0.177 157 N C 2.071 177.654 175.510 0.122 0.000 1.024 157 N CA 0.393 53.501 53.050 0.097 0.000 0.893 157 N CB -0.317 38.294 38.487 0.207 0.000 0.980 157 N HN 0.201 nan 8.380 nan 0.000 0.439 158 R N 1.155 121.555 120.500 -0.167 0.000 2.096 158 R HA -0.015 4.324 4.340 -0.000 0.000 0.235 158 R C 1.728 178.149 176.300 0.202 0.000 1.127 158 R CA 1.010 57.031 56.100 -0.132 0.000 0.968 158 R CB -0.129 29.902 30.300 -0.448 0.000 0.861 158 R HN -0.103 nan 8.270 nan 0.000 0.440 159 V N 1.079 121.053 119.914 0.101 0.000 2.453 159 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 159 V C 2.186 178.397 176.094 0.195 0.000 1.048 159 V CA 1.189 63.574 62.300 0.142 0.000 1.049 159 V CB -0.415 31.467 31.823 0.098 0.000 0.672 159 V HN 0.322 nan 8.190 nan 0.000 0.457 160 L N 0.406 121.737 121.223 0.181 0.000 2.083 160 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 160 L C 2.289 179.337 176.870 0.297 0.000 1.083 160 L CA 2.079 57.033 54.840 0.191 0.000 0.752 160 L CB -0.766 41.393 42.059 0.167 0.000 0.899 160 L HN 0.387 nan 8.230 nan 0.000 0.433 161 E N -1.620 118.765 120.200 0.309 0.000 2.152 161 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 161 E C 2.041 178.783 176.600 0.238 0.000 0.983 161 E CA 1.054 57.630 56.400 0.295 0.000 0.818 161 E CB -0.080 29.752 29.700 0.220 0.000 0.758 161 E HN 0.639 nan 8.360 nan 0.000 0.467 162 H N -0.516 118.659 119.070 0.175 0.000 2.495 162 H HA 0.054 4.609 4.556 -0.000 0.000 0.287 162 H C 1.850 177.241 175.328 0.105 0.000 1.033 162 H CA 0.978 57.099 56.048 0.121 0.000 1.307 162 H CB 0.175 29.985 29.762 0.080 0.000 1.401 162 H HN 0.144 nan 8.280 nan 0.000 0.555 163 L N -0.057 121.293 121.223 0.211 0.000 2.046 163 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 163 L C 1.663 178.551 176.870 0.030 0.000 1.077 163 L CA 1.772 56.660 54.840 0.081 0.000 0.747 163 L CB -0.212 41.850 42.059 0.006 0.000 0.896 163 L HN 0.457 nan 8.230 nan 0.000 0.432 164 H N -1.770 117.396 119.070 0.160 0.000 2.357 164 H HA -0.154 4.402 4.556 -0.000 0.000 0.301 164 H C 2.545 177.989 175.328 0.193 0.000 1.082 164 H CA 1.573 57.776 56.048 0.258 0.000 1.342 164 H CB -0.108 29.817 29.762 0.271 0.000 1.389 164 H HN 0.267 nan 8.280 nan 0.000 0.511 165 S N -0.830 115.009 115.700 0.233 0.000 2.374 165 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 165 S C 2.311 176.966 174.600 0.092 0.000 1.037 165 S CA 2.012 60.283 58.200 0.120 0.000 1.024 165 S CB -0.441 62.780 63.200 0.035 0.000 0.861 165 S HN 0.546 nan 8.310 nan 0.000 0.456 166 T N 0.029 114.623 114.554 0.067 0.000 3.010 166 T HA 0.344 4.694 4.350 -0.000 0.000 0.252 166 T C 1.862 176.486 174.700 -0.128 0.000 1.047 166 T CA 1.083 63.177 62.100 -0.010 0.000 1.140 166 T CB -0.554 68.315 68.868 0.000 0.000 0.885 166 T HN 0.418 nan 8.240 nan 0.000 0.464 167 A N 0.553 123.249 122.820 -0.206 0.000 1.883 167 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 167 A C 1.526 178.770 177.584 -0.566 0.000 1.186 167 A CA 1.423 53.132 52.037 -0.546 0.000 0.624 167 A CB -0.854 17.804 19.000 -0.570 0.000 0.822 167 A HN 0.638 nan 8.150 nan 0.000 0.444 168 F N 0.809 120.777 119.950 0.031 0.000 2.647 168 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 168 F C 0.847 176.655 175.800 0.013 0.000 1.106 168 F CA -0.403 57.630 58.000 0.055 0.000 1.313 168 F CB -0.125 38.948 39.000 0.122 0.000 1.007 168 F HN 0.361 nan 8.300 nan 0.000 0.536 169 Q N 1.018 120.877 119.800 0.098 0.000 2.348 169 Q HA -0.165 4.175 4.340 -0.000 0.000 0.331 169 Q C 0.172 176.206 176.000 0.058 0.000 1.099 169 Q CA 0.447 56.284 55.803 0.056 0.000 1.021 169 Q CB -0.038 28.701 28.738 0.002 0.000 1.166 169 Q HN 0.447 nan 8.270 nan 0.000 0.393 170 N N 1.007 119.732 118.700 0.042 0.000 2.758 170 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 170 N C -1.188 174.353 175.510 0.052 0.000 1.076 170 N CA 1.115 54.186 53.050 0.035 0.000 0.696 170 N CB -0.803 37.701 38.487 0.028 0.000 0.979 170 N HN 0.797 nan 8.380 nan 0.000 0.550 171 T N -1.564 113.026 114.554 0.060 0.000 2.840 171 T HA 0.270 4.620 4.350 -0.000 0.000 0.317 171 T C -1.929 172.781 174.700 0.017 0.000 1.401 171 T CA -0.831 61.304 62.100 0.058 0.000 1.028 171 T CB 2.193 71.129 68.868 0.113 0.000 1.317 171 T HN -0.317 nan 8.240 nan 0.000 0.495 172 P HA -0.107 nan 4.420 nan 0.000 0.217 172 P C 1.472 178.695 177.300 -0.130 0.000 1.162 172 P CA 0.752 63.813 63.100 -0.065 0.000 0.901 172 P CB 0.129 31.790 31.700 -0.065 0.000 0.793 173 L N -0.468 120.628 121.223 -0.212 0.000 2.450 173 L HA -0.078 4.262 4.340 -0.000 0.000 0.224 173 L C 1.986 178.802 176.870 -0.091 0.000 1.149 173 L CA 1.793 56.413 54.840 -0.366 0.000 0.816 173 L CB -1.727 39.785 42.059 -0.913 0.000 0.932 173 L HN 0.052 nan 8.230 nan 0.000 0.449 174 S N -1.987 113.745 115.700 0.054 0.000 2.603 174 S HA 0.057 4.527 4.470 -0.000 0.000 0.220 174 S C 0.711 175.320 174.600 0.015 0.000 0.967 174 S CA -0.229 58.050 58.200 0.133 0.000 0.920 174 S CB -0.174 63.105 63.200 0.132 0.000 0.773 174 S HN 0.066 nan 8.310 nan 0.000 0.529 175 L N 3.540 124.725 121.223 -0.064 0.000 2.292 175 L HA 0.524 4.864 4.340 -0.000 0.000 0.284 175 L C -2.313 174.471 176.870 -0.144 0.000 1.065 175 L CA -2.090 52.687 54.840 -0.106 0.000 0.806 175 L CB 0.462 42.449 42.059 -0.120 0.000 1.175 175 L HN 0.107 nan 8.230 nan 0.000 0.431 176 P HA 0.114 nan 4.420 nan 0.000 0.275 176 P C 0.722 177.903 177.300 -0.198 0.000 1.227 176 P CA -0.223 62.776 63.100 -0.169 0.000 0.781 176 P CB 0.787 32.397 31.700 -0.151 0.000 0.906 177 T N 1.681 116.098 114.554 -0.228 0.000 2.643 177 T HA -0.193 4.157 4.350 -0.000 0.000 0.264 177 T C 1.717 176.286 174.700 -0.218 0.000 1.045 177 T CA 1.059 63.023 62.100 -0.227 0.000 1.155 177 T CB -0.757 67.969 68.868 -0.237 0.000 0.863 177 T HN 0.286 nan 8.240 nan 0.000 0.420 178 R N 1.615 121.954 120.500 -0.268 0.000 2.249 178 R HA 0.270 4.610 4.340 -0.000 0.000 0.230 178 R C 1.374 177.556 176.300 -0.197 0.000 1.121 178 R CA 0.623 56.564 56.100 -0.265 0.000 0.997 178 R CB -0.879 29.170 30.300 -0.419 0.000 0.867 178 R HN 0.796 nan 8.270 nan 0.000 0.465 179 G N 0.013 108.704 108.800 -0.181 0.000 2.733 179 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.686 179 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.686 179 G C -0.020 174.811 174.900 -0.116 0.000 1.373 179 G CA -0.448 44.565 45.100 -0.145 0.000 0.838 179 G HN 0.264 nan 8.290 nan 0.000 0.588 180 T N -0.589 113.904 114.554 -0.101 0.000 2.748 180 T HA 0.395 4.745 4.350 -0.000 0.000 0.304 180 T C 1.607 176.277 174.700 -0.050 0.000 1.041 180 T CA 0.116 62.173 62.100 -0.072 0.000 1.033 180 T CB 0.998 69.820 68.868 -0.076 0.000 0.995 180 T HN 1.237 nan 8.240 nan 0.000 0.536 181 L N 0.240 121.449 121.223 -0.024 0.000 2.509 181 L HA 0.165 4.505 4.340 -0.000 0.000 0.222 181 L C 1.967 178.829 176.870 -0.013 0.000 1.123 181 L CA 1.341 56.172 54.840 -0.015 0.000 0.856 181 L CB -0.757 41.306 42.059 0.006 0.000 0.985 181 L HN 0.816 nan 8.230 nan 0.000 0.456 182 E N -0.671 119.523 120.200 -0.011 0.000 2.099 182 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 182 E C 2.189 178.793 176.600 0.006 0.000 0.962 182 E CA 1.130 57.532 56.400 0.003 0.000 0.826 182 E CB 0.012 29.722 29.700 0.016 0.000 0.788 182 E HN 0.414 nan 8.360 nan 0.000 0.461 183 S N 0.840 116.535 115.700 -0.008 0.000 2.400 183 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 183 S C 1.953 176.547 174.600 -0.011 0.000 1.025 183 S CA 0.725 58.925 58.200 0.000 0.000 0.993 183 S CB -0.276 62.901 63.200 -0.039 0.000 0.808 183 S HN 0.062 nan 8.310 nan 0.000 0.478 184 L N 2.856 124.058 121.223 -0.034 0.000 2.017 184 L HA -0.051 4.288 4.340 -0.000 0.000 0.208 184 L C 2.748 179.596 176.870 -0.038 0.000 1.073 184 L CA 2.264 57.074 54.840 -0.049 0.000 0.745 184 L CB -0.845 41.175 42.059 -0.065 0.000 0.894 184 L HN 0.678 nan 8.230 nan 0.000 0.432 185 E N -1.900 118.286 120.200 -0.024 0.000 2.482 185 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 185 E C 1.591 178.196 176.600 0.009 0.000 1.047 185 E CA 0.830 57.220 56.400 -0.016 0.000 0.869 185 E CB -0.518 29.175 29.700 -0.013 0.000 0.836 185 E HN 0.580 nan 8.360 nan 0.000 0.520 186 N N 0.312 119.025 118.700 0.021 0.000 2.356 186 N HA 0.009 4.749 4.740 -0.000 0.000 0.178 186 N C -0.060 175.480 175.510 0.051 0.000 1.075 186 N CA -0.240 52.833 53.050 0.038 0.000 0.889 186 N CB 0.296 38.813 38.487 0.050 0.000 0.999 186 N HN 0.067 nan 8.380 nan 0.000 0.464 187 L N 1.757 123.012 121.223 0.053 0.000 2.461 187 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 187 L C 0.287 177.255 176.870 0.164 0.000 1.197 187 L CA 0.213 55.102 54.840 0.082 0.000 0.836 187 L CB 1.165 43.261 42.059 0.062 0.000 1.105 187 L HN -0.024 nan 8.230 nan 0.000 0.477 188 V N 0.346 120.334 119.914 0.123 0.000 3.160 188 V HA 0.436 4.556 4.120 -0.000 0.000 0.310 188 V C 0.708 176.651 176.094 -0.251 0.000 1.181 188 V CA -0.794 61.530 62.300 0.039 0.000 1.047 188 V CB 1.496 33.304 31.823 -0.025 0.000 1.068 188 V HN 0.419 nan 8.190 nan 0.000 0.441 189 V N 0.619 120.101 119.914 -0.720 0.000 2.546 189 V HA -0.222 3.897 4.120 -0.000 0.000 0.254 189 V C 2.896 178.801 176.094 -0.315 0.000 1.076 189 V CA 2.788 64.626 62.300 -0.769 0.000 1.087 189 V CB -1.690 29.688 31.823 -0.742 0.000 0.674 189 V HN 1.212 nan 8.190 nan 0.000 0.470 190 A N -0.094 122.611 122.820 -0.192 0.000 1.930 190 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 190 A C 2.075 179.645 177.584 -0.024 0.000 1.175 190 A CA 1.842 53.830 52.037 -0.082 0.000 0.627 190 A CB -0.469 18.497 19.000 -0.057 0.000 0.815 190 A HN 0.583 nan 8.150 nan 0.000 0.443 191 D N -0.021 120.367 120.400 -0.020 0.000 2.123 191 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 191 D C 1.947 178.309 176.300 0.103 0.000 0.976 191 D CA 0.764 54.791 54.000 0.046 0.000 0.831 191 D CB -0.176 40.647 40.800 0.039 0.000 0.974 191 D HN 0.242 nan 8.370 nan 0.000 0.469 192 L N 1.495 122.728 121.223 0.017 0.000 2.012 192 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 192 L C 2.335 179.458 176.870 0.421 0.000 1.073 192 L CA 1.645 56.514 54.840 0.049 0.000 0.748 192 L CB -0.933 40.866 42.059 -0.433 0.000 0.891 192 L HN 0.097 nan 8.230 nan 0.000 0.431 193 E N -0.826 119.510 120.200 0.225 0.000 2.031 193 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 193 E C 2.282 178.973 176.600 0.152 0.000 0.994 193 E CA 1.420 57.957 56.400 0.228 0.000 0.800 193 E CB -0.128 29.629 29.700 0.094 0.000 0.752 193 E HN 0.288 nan 8.360 nan 0.000 0.447 194 S N 0.395 116.162 115.700 0.112 0.000 2.369 194 S HA -0.250 4.220 4.470 -0.000 0.000 0.225 194 S C 1.767 176.416 174.600 0.081 0.000 1.043 194 S CA 1.657 59.902 58.200 0.075 0.000 1.074 194 S CB -0.468 62.780 63.200 0.079 0.000 0.962 194 S HN 0.348 nan 8.310 nan 0.000 0.433 195 F N 2.245 122.220 119.950 0.042 0.000 2.043 195 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 195 F C 2.386 178.098 175.800 -0.147 0.000 1.121 195 F CA 1.790 59.816 58.000 0.044 0.000 1.199 195 F CB -1.057 37.995 39.000 0.086 0.000 0.968 195 F HN 0.273 nan 8.300 nan 0.000 0.478 196 A N 0.656 123.368 122.820 -0.179 0.000 1.958 196 A HA -0.298 4.021 4.320 -0.000 0.000 0.221 196 A C 2.124 179.362 177.584 -0.576 0.000 1.178 196 A CA 2.218 53.745 52.037 -0.851 0.000 0.642 196 A CB -1.142 17.598 19.000 -0.433 0.000 0.816 196 A HN 0.638 nan 8.150 nan 0.000 0.453 197 N N 0.169 118.705 118.700 -0.273 0.000 2.106 197 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 197 N C 1.297 176.646 175.510 -0.269 0.000 1.029 197 N CA 1.458 54.391 53.050 -0.195 0.000 0.848 197 N CB -0.512 37.915 38.487 -0.101 0.000 1.007 197 N HN 0.610 nan 8.380 nan 0.000 0.423 198 N N -0.038 118.446 118.700 -0.360 0.000 2.494 198 N HA -0.061 4.679 4.740 -0.000 0.000 0.182 198 N C 0.795 175.860 175.510 -0.742 0.000 1.076 198 N CA 0.624 53.386 53.050 -0.480 0.000 0.908 198 N CB 0.192 38.384 38.487 -0.492 0.000 0.967 198 N HN 0.446 nan 8.380 nan 0.000 0.449 199 H N -0.560 118.163 119.070 -0.579 0.000 2.408 199 H HA 0.161 4.717 4.556 -0.000 0.000 0.271 199 H C 0.301 175.407 175.328 -0.369 0.000 0.957 199 H CA -0.116 55.583 56.048 -0.582 0.000 1.170 199 H CB 0.053 29.174 29.762 -1.068 0.000 1.458 199 H HN 0.069 nan 8.280 nan 0.000 0.491 200 F N 3.015 122.642 119.950 -0.538 0.000 2.626 200 F HA 0.101 4.628 4.527 -0.000 0.000 0.374 200 F C 0.599 176.223 175.800 -0.293 0.000 1.184 200 F CA -0.343 57.157 58.000 -0.833 0.000 1.339 200 F CB -0.338 38.104 39.000 -0.929 0.000 1.730 200 F HN -0.117 nan 8.300 nan 0.000 0.650 201 L N 0.213 121.474 121.223 0.063 0.000 2.874 201 L HA 0.282 4.622 4.340 -0.000 0.000 0.229 201 L C 1.289 178.251 176.870 0.152 0.000 1.200 201 L CA -0.576 54.311 54.840 0.079 0.000 0.976 201 L CB 0.288 42.352 42.059 0.010 0.000 1.887 201 L HN 0.123 nan 8.230 nan 0.000 0.543 202 N N -0.851 117.896 118.700 0.079 0.000 2.482 202 N HA -0.069 4.670 4.740 -0.000 0.000 0.179 202 N C 1.617 177.152 175.510 0.040 0.000 1.039 202 N CA 1.009 54.093 53.050 0.056 0.000 0.884 202 N CB 0.206 38.709 38.487 0.027 0.000 1.113 202 N HN 0.560 nan 8.380 nan 0.000 0.440 203 S N -0.803 114.918 115.700 0.035 0.000 2.489 203 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 203 S C 1.183 175.810 174.600 0.044 0.000 0.995 203 S CA 0.516 58.731 58.200 0.026 0.000 0.934 203 S CB -0.179 63.030 63.200 0.014 0.000 0.771 203 S HN 0.237 nan 8.310 nan 0.000 0.522 204 N N 1.391 120.141 118.700 0.084 0.000 2.328 204 N HA 0.510 5.250 4.740 -0.000 0.000 0.247 204 N C -0.594 175.041 175.510 0.208 0.000 1.165 204 N CA 0.030 53.160 53.050 0.134 0.000 0.873 204 N CB 0.654 39.228 38.487 0.145 0.000 1.125 204 N HN 0.500 nan 8.380 nan 0.000 0.513 205 A N -0.698 122.184 122.820 0.103 0.000 2.539 205 A HA 0.763 5.082 4.320 -0.000 0.000 0.296 205 A C -1.517 175.993 177.584 -0.124 0.000 1.073 205 A CA -0.545 51.470 52.037 -0.037 0.000 0.700 205 A CB 1.678 20.627 19.000 -0.085 0.000 1.296 205 A HN -0.018 nan 8.150 nan 0.000 0.405 206 V N 1.159 120.939 119.914 -0.223 0.000 2.612 206 V HA 0.446 4.566 4.120 -0.000 0.000 0.301 206 V C -0.531 175.423 176.094 -0.232 0.000 1.059 206 V CA -0.646 61.546 62.300 -0.180 0.000 0.886 206 V CB 1.582 33.315 31.823 -0.149 0.000 1.007 206 V HN 1.032 nan 8.190 nan 0.000 0.426 207 V N 6.959 126.765 119.914 -0.180 0.000 2.461 207 V HA 0.595 4.715 4.120 -0.000 0.000 0.275 207 V C -0.335 175.687 176.094 -0.119 0.000 1.047 207 V CA 0.232 62.430 62.300 -0.171 0.000 0.955 207 V CB 1.617 33.359 31.823 -0.134 0.000 0.988 207 V HN 0.646 nan 8.190 nan 0.000 0.471 208 V N 6.185 126.025 119.914 -0.122 0.000 2.513 208 V HA 0.805 4.925 4.120 -0.000 0.000 0.299 208 V C 0.605 176.669 176.094 -0.050 0.000 1.035 208 V CA 0.013 62.260 62.300 -0.088 0.000 0.889 208 V CB 1.644 33.396 31.823 -0.118 0.000 0.988 208 V HN 1.037 nan 8.190 nan 0.000 0.440 209 G N 2.127 110.914 108.800 -0.022 0.000 2.626 209 G HA2 0.687 4.647 3.960 -0.000 0.000 0.304 209 G HA3 0.687 4.647 3.960 -0.000 0.000 0.304 209 G C -0.521 174.388 174.900 0.014 0.000 1.385 209 G CA -0.388 44.712 45.100 0.000 0.000 0.957 209 G HN 0.814 nan 8.290 nan 0.000 0.504 210 T N -0.639 113.925 114.554 0.016 0.000 2.916 210 T HA 0.862 5.212 4.350 -0.000 0.000 0.298 210 T C 0.538 175.262 174.700 0.039 0.000 1.031 210 T CA 0.195 62.310 62.100 0.025 0.000 0.993 210 T CB 2.199 71.068 68.868 0.001 0.000 1.045 210 T HN 1.899 nan 8.240 nan 0.000 0.454 211 G N 2.824 111.657 108.800 0.055 0.000 1.924 211 G HA2 0.097 4.057 3.960 -0.000 0.000 0.077 211 G HA3 0.097 4.057 3.960 -0.000 0.000 0.077 211 G C -0.093 174.850 174.900 0.072 0.000 1.448 211 G CA 0.437 45.569 45.100 0.054 0.000 1.087 211 G HN 1.352 nan 8.290 nan 0.000 0.304 212 N N 0.291 119.040 118.700 0.081 0.000 1.938 212 N HA 0.141 4.881 4.740 -0.000 0.000 0.225 212 N C 0.495 176.004 175.510 -0.002 0.000 1.400 212 N CA 0.567 53.689 53.050 0.120 0.000 0.772 212 N CB -0.371 38.157 38.487 0.068 0.000 1.124 212 N HN 1.092 nan 8.380 nan 0.000 0.513 213 I N 0.156 120.691 120.570 -0.059 0.000 2.533 213 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 213 I C 0.382 176.275 176.117 -0.374 0.000 1.109 213 I CA -0.643 60.560 61.300 -0.161 0.000 1.412 213 I CB 0.505 38.458 38.000 -0.079 0.000 1.396 213 I HN -0.196 nan 8.210 nan 0.000 0.543 214 K N 3.270 123.375 120.400 -0.491 0.000 2.402 214 K HA -0.104 4.215 4.320 -0.000 0.000 0.265 214 K C 0.805 177.283 176.600 -0.203 0.000 0.978 214 K CA 0.149 56.106 56.287 -0.550 0.000 0.913 214 K CB 0.316 32.655 32.500 -0.269 0.000 0.954 214 K HN 0.716 nan 8.250 nan 0.000 0.511 215 H N 1.751 120.739 119.070 -0.136 0.000 2.357 215 H HA -0.063 4.493 4.556 -0.000 0.000 0.301 215 H C 0.924 176.222 175.328 -0.051 0.000 1.082 215 H CA 1.869 57.891 56.048 -0.044 0.000 1.342 215 H CB 0.341 30.110 29.762 0.011 0.000 1.389 215 H HN 0.641 nan 8.280 nan 0.000 0.511 216 E N -0.717 119.403 120.200 -0.132 0.000 2.478 216 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 216 E C 0.953 177.467 176.600 -0.144 0.000 1.046 216 E CA 0.670 56.970 56.400 -0.166 0.000 0.870 216 E CB 0.178 29.841 29.700 -0.061 0.000 0.818 216 E HN 0.541 nan 8.360 nan 0.000 0.527 217 D N -0.140 120.178 120.400 -0.137 0.000 2.305 217 D HA -0.038 4.602 4.640 -0.000 0.000 0.206 217 D C 1.496 177.732 176.300 -0.106 0.000 0.974 217 D CA 0.305 54.240 54.000 -0.109 0.000 0.871 217 D CB 0.393 41.126 40.800 -0.111 0.000 0.947 217 D HN 0.083 nan 8.370 nan 0.000 0.516 218 L N -0.755 120.387 121.223 -0.135 0.000 2.349 218 L HA 0.190 4.530 4.340 -0.000 0.000 0.200 218 L C 2.024 178.810 176.870 -0.140 0.000 1.064 218 L CA 0.502 55.274 54.840 -0.113 0.000 0.821 218 L CB -0.523 41.482 42.059 -0.091 0.000 1.027 218 L HN -0.097 nan 8.230 nan 0.000 0.476 219 V N 0.849 120.620 119.914 -0.238 0.000 2.453 219 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 219 V C 2.210 178.218 176.094 -0.143 0.000 1.068 219 V CA 2.427 64.586 62.300 -0.235 0.000 1.070 219 V CB -0.573 30.998 31.823 -0.419 0.000 0.664 219 V HN 0.623 nan 8.190 nan 0.000 0.461 220 N N -0.179 118.443 118.700 -0.130 0.000 2.173 220 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 220 N C 1.972 177.445 175.510 -0.062 0.000 1.025 220 N CA 1.651 54.651 53.050 -0.083 0.000 0.852 220 N CB -0.502 37.941 38.487 -0.074 0.000 0.998 220 N HN 0.426 nan 8.380 nan 0.000 0.427 221 S N 0.780 116.443 115.700 -0.062 0.000 2.442 221 S HA 0.063 4.533 4.470 -0.000 0.000 0.236 221 S C 1.918 176.497 174.600 -0.035 0.000 1.007 221 S CA 0.528 58.703 58.200 -0.042 0.000 0.965 221 S CB -0.051 63.127 63.200 -0.038 0.000 0.773 221 S HN 0.284 nan 8.310 nan 0.000 0.504 222 I N 0.594 121.136 120.570 -0.047 0.000 2.585 222 I HA 0.000 4.170 4.170 -0.000 0.000 0.254 222 I C 2.350 178.447 176.117 -0.034 0.000 1.129 222 I CA 0.730 62.007 61.300 -0.039 0.000 1.455 222 I CB -0.122 37.847 38.000 -0.051 0.000 1.111 222 I HN 0.232 nan 8.210 nan 0.000 0.433 223 E N 0.432 120.608 120.200 -0.041 0.000 2.515 223 E HA -0.154 4.196 4.350 -0.000 0.000 0.201 223 E C 2.015 178.601 176.600 -0.024 0.000 1.071 223 E CA 0.372 56.753 56.400 -0.033 0.000 0.880 223 E CB 0.212 29.889 29.700 -0.038 0.000 0.828 223 E HN 0.272 nan 8.360 nan 0.000 0.540 224 S N 0.374 116.060 115.700 -0.022 0.000 2.325 224 S HA -0.056 4.413 4.470 -0.000 0.000 0.213 224 S C 0.276 174.870 174.600 -0.010 0.000 1.031 224 S CA 0.758 58.948 58.200 -0.016 0.000 0.984 224 S CB 0.073 63.264 63.200 -0.014 0.000 0.939 224 S HN 0.030 nan 8.310 nan 0.000 0.438 225 K N 3.218 123.613 120.400 -0.007 0.000 2.336 225 K HA 0.225 4.545 4.320 -0.000 0.000 0.290 225 K C 0.642 177.240 176.600 -0.004 0.000 1.067 225 K CA -0.002 56.283 56.287 -0.003 0.000 0.962 225 K CB -0.005 32.497 32.500 0.002 0.000 1.008 225 K HN 0.331 nan 8.250 nan 0.000 0.467 226 N N 1.553 120.251 118.700 -0.003 0.000 2.097 226 N HA 0.038 4.778 4.740 -0.000 0.000 0.235 226 N C 0.232 175.742 175.510 -0.000 0.000 1.252 226 N CA 0.059 53.107 53.050 -0.003 0.000 0.944 226 N CB -0.025 38.460 38.487 -0.003 0.000 1.005 226 N HN 0.240 nan 8.380 nan 0.000 0.399 227 L N -1.947 119.276 121.223 0.001 0.000 3.033 227 L HA -0.324 4.016 4.340 -0.000 0.000 0.338 227 L C 0.251 177.123 176.870 0.004 0.000 1.056 227 L CA 0.895 55.738 54.840 0.004 0.000 1.221 227 L CB -1.041 41.023 42.059 0.008 0.000 1.085 227 L HN 0.621 nan 8.230 nan 0.000 0.460 228 S N -1.796 113.908 115.700 0.007 0.000 3.916 228 S HA 0.418 4.888 4.470 -0.000 0.000 0.231 228 S C -0.710 173.898 174.600 0.014 0.000 1.161 228 S CA 0.359 58.563 58.200 0.007 0.000 0.938 228 S CB 0.563 63.765 63.200 0.003 0.000 1.170 228 S HN 0.978 nan 8.310 nan 0.000 0.508 229 L N 3.095 124.327 121.223 0.014 0.000 2.895 229 L HA -0.154 4.185 4.340 -0.000 0.000 0.661 229 L C -0.609 176.270 176.870 0.014 0.000 1.020 229 L CA 0.751 55.602 54.840 0.019 0.000 1.342 229 L CB -1.494 40.587 42.059 0.035 0.000 1.851 229 L HN 0.799 nan 8.230 nan 0.000 0.881 230 Q N 0.457 120.259 119.800 0.004 0.000 2.460 230 Q HA -0.198 4.142 4.340 -0.000 0.000 0.311 230 Q C 0.475 176.471 176.000 -0.006 0.000 1.396 230 Q CA 1.387 57.186 55.803 -0.006 0.000 0.838 230 Q CB -0.745 27.984 28.738 -0.015 0.000 1.140 230 Q HN 0.753 nan 8.270 nan 0.000 0.415 231 T N -2.050 112.502 114.554 -0.003 0.000 2.897 231 T HA 0.482 4.832 4.350 -0.000 0.000 0.294 231 T C 1.266 175.962 174.700 -0.008 0.000 1.004 231 T CA 1.279 63.377 62.100 -0.003 0.000 1.106 231 T CB 1.093 69.960 68.868 -0.001 0.000 0.949 231 T HN 0.820 nan 8.240 nan 0.000 0.520 232 G N 3.218 112.013 108.800 -0.009 0.000 2.213 232 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.226 232 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.226 232 G C 0.254 175.143 174.900 -0.017 0.000 0.992 232 G CA 0.149 45.242 45.100 -0.011 0.000 0.632 232 G HN 0.942 nan 8.290 nan 0.000 0.511 233 T N 1.974 116.514 114.554 -0.023 0.000 2.845 233 T HA 0.565 4.914 4.350 -0.000 0.000 0.288 233 T C 0.181 174.858 174.700 -0.039 0.000 0.980 233 T CA 0.161 62.239 62.100 -0.037 0.000 1.071 233 T CB 1.594 70.432 68.868 -0.051 0.000 0.941 233 T HN 0.706 nan 8.240 nan 0.000 0.487 234 K N 2.528 122.900 120.400 -0.046 0.000 2.203 234 K HA 0.675 4.995 4.320 -0.000 0.000 0.251 234 K C -2.788 173.763 176.600 -0.081 0.000 0.944 234 K CA -2.135 54.126 56.287 -0.044 0.000 0.829 234 K CB 0.931 33.415 32.500 -0.026 0.000 1.125 234 K HN 0.251 nan 8.250 nan 0.000 0.430 235 P HA 0.009 nan 4.420 nan 0.000 0.272 235 P C -0.199 177.025 177.300 -0.127 0.000 1.240 235 P CA -0.562 62.431 63.100 -0.179 0.000 0.791 235 P CB 0.569 32.197 31.700 -0.120 0.000 0.978 236 V N 1.854 121.660 119.914 -0.179 0.000 2.740 236 V HA -0.004 4.116 4.120 -0.000 0.000 0.303 236 V C 1.255 177.349 176.094 -0.001 0.000 1.054 236 V CA -0.032 62.221 62.300 -0.077 0.000 1.106 236 V CB -0.415 31.364 31.823 -0.074 0.000 0.957 236 V HN 0.405 nan 8.190 nan 0.000 0.486 237 L N 3.216 124.446 121.223 0.011 0.000 2.744 237 L HA 0.721 5.061 4.340 -0.000 0.000 0.218 237 L C 0.384 177.278 176.870 0.041 0.000 1.190 237 L CA -0.679 54.180 54.840 0.031 0.000 0.869 237 L CB 0.197 42.269 42.059 0.023 0.000 1.652 237 L HN 0.808 nan 8.230 nan 0.000 0.519 238 K N -1.536 118.888 120.400 0.041 0.000 1.646 238 K HA 0.495 4.815 4.320 -0.000 0.000 0.290 238 K C -1.211 175.412 176.600 0.038 0.000 0.812 238 K CA -0.990 55.322 56.287 0.042 0.000 0.389 238 K CB 0.396 32.926 32.500 0.049 0.000 2.951 238 K HN 0.184 nan 8.250 nan 0.000 1.045 239 K N 2.079 122.502 120.400 0.038 0.000 2.601 239 K HA 0.263 4.582 4.320 -0.000 0.000 0.249 239 K C -1.721 174.903 176.600 0.040 0.000 0.966 239 K CA -0.677 55.634 56.287 0.039 0.000 0.827 239 K CB 1.902 34.427 32.500 0.041 0.000 1.178 239 K HN 0.436 nan 8.250 nan 0.000 0.437 240 K N 1.092 121.519 120.400 0.045 0.000 2.473 240 K HA 0.102 4.421 4.320 -0.000 0.000 0.277 240 K C 0.407 177.043 176.600 0.059 0.000 1.052 240 K CA 0.052 56.368 56.287 0.049 0.000 1.114 240 K CB -0.403 32.133 32.500 0.059 0.000 0.869 240 K HN 0.570 nan 8.250 nan 0.000 0.481 241 A N 2.510 125.352 122.820 0.037 0.000 2.586 241 A HA 0.389 4.709 4.320 -0.000 0.000 0.231 241 A C 0.245 177.921 177.584 0.153 0.000 1.055 241 A CA 0.468 52.530 52.037 0.041 0.000 0.756 241 A CB -0.098 18.834 19.000 -0.113 0.000 0.988 241 A HN 0.929 nan 8.150 nan 0.000 0.509 242 A N 1.042 124.022 122.820 0.265 0.000 2.498 242 A HA 0.699 5.019 4.320 -0.000 0.000 0.298 242 A C -0.939 176.958 177.584 0.521 0.000 1.075 242 A CA -0.474 51.766 52.037 0.338 0.000 0.714 242 A CB 0.954 20.076 19.000 0.204 0.000 1.299 242 A HN 1.335 nan 8.150 nan 0.000 0.407 243 F N 1.243 121.366 119.950 0.287 0.000 2.421 243 F HA 0.725 5.252 4.527 -0.000 0.000 0.337 243 F C -0.780 175.058 175.800 0.063 0.000 1.105 243 F CA -0.907 57.172 58.000 0.132 0.000 1.049 243 F CB 1.503 40.569 39.000 0.109 0.000 1.139 243 F HN 0.534 nan 8.300 nan 0.000 0.479 244 L N 5.207 125.948 121.223 -0.803 0.000 2.436 244 L HA 0.665 5.005 4.340 -0.000 0.000 0.268 244 L C -0.382 176.097 176.870 -0.650 0.000 0.974 244 L CA -0.366 54.175 54.840 -0.498 0.000 0.826 244 L CB 2.015 43.928 42.059 -0.244 0.000 1.291 244 L HN 0.714 nan 8.230 nan 0.000 0.406 245 G N 3.071 111.692 108.800 -0.298 0.000 2.327 245 G HA2 0.453 4.413 3.960 -0.000 0.000 0.278 245 G HA3 0.453 4.413 3.960 -0.000 0.000 0.278 245 G C -0.317 174.419 174.900 -0.273 0.000 1.145 245 G CA 0.658 45.683 45.100 -0.126 0.000 1.097 245 G HN 0.956 nan 8.290 nan 0.000 0.430 246 S N 1.269 116.830 115.700 -0.232 0.000 2.672 246 S HA 0.810 5.279 4.470 -0.000 0.000 0.271 246 S C -0.986 173.568 174.600 -0.077 0.000 1.171 246 S CA -1.027 57.014 58.200 -0.264 0.000 0.817 246 S CB 2.181 65.252 63.200 -0.215 0.000 1.150 246 S HN 0.931 nan 8.310 nan 0.000 0.478 247 E N -1.128 119.033 120.200 -0.066 0.000 2.375 247 E HA 0.679 5.028 4.350 -0.000 0.000 0.280 247 E C -1.930 174.675 176.600 0.008 0.000 0.972 247 E CA -1.194 55.225 56.400 0.032 0.000 0.782 247 E CB 2.018 31.792 29.700 0.123 0.000 1.229 247 E HN 0.695 nan 8.360 nan 0.000 0.439 248 V N 2.310 122.239 119.914 0.025 0.000 2.483 248 V HA 0.549 4.669 4.120 -0.000 0.000 0.297 248 V C -1.355 174.734 176.094 -0.009 0.000 1.027 248 V CA -0.531 61.775 62.300 0.011 0.000 0.855 248 V CB 1.342 33.189 31.823 0.041 0.000 0.995 248 V HN 0.720 nan 8.190 nan 0.000 0.424 249 R N 6.539 127.029 120.500 -0.017 0.000 2.272 249 R HA 0.469 4.808 4.340 -0.000 0.000 0.323 249 R C -0.627 175.647 176.300 -0.044 0.000 1.002 249 R CA -0.476 55.611 56.100 -0.022 0.000 0.900 249 R CB 1.362 31.660 30.300 -0.005 0.000 1.151 249 R HN 0.687 nan 8.270 nan 0.000 0.507 250 L N 3.026 124.204 121.223 -0.076 0.000 2.727 250 L HA 0.198 4.538 4.340 -0.000 0.000 0.237 250 L C 0.846 177.691 176.870 -0.043 0.000 1.370 250 L CA -0.134 54.652 54.840 -0.091 0.000 1.248 250 L CB -0.355 41.591 42.059 -0.188 0.000 1.556 250 L HN 0.284 nan 8.230 nan 0.000 0.420 251 R N 1.671 122.157 120.500 -0.024 0.000 2.537 251 R HA -0.031 4.309 4.340 -0.000 0.000 0.281 251 R C -0.625 175.672 176.300 -0.006 0.000 0.988 251 R CA 0.662 56.757 56.100 -0.009 0.000 1.077 251 R CB 0.347 30.642 30.300 -0.009 0.000 0.932 251 R HN 0.244 nan 8.270 nan 0.000 0.409 252 D N 2.562 122.965 120.400 0.004 0.000 2.319 252 D HA 0.107 4.747 4.640 -0.000 0.000 0.237 252 D C -0.412 175.895 176.300 0.012 0.000 1.353 252 D CA -0.479 53.524 54.000 0.005 0.000 0.992 252 D CB 0.812 41.612 40.800 -0.000 0.000 1.368 252 D HN 0.343 nan 8.370 nan 0.000 0.564 253 D N 1.086 121.489 120.400 0.006 0.000 2.384 253 D HA -0.100 4.539 4.640 -0.000 0.000 0.222 253 D C 1.900 178.206 176.300 0.009 0.000 0.976 253 D CA 1.107 55.110 54.000 0.004 0.000 0.915 253 D CB 0.114 40.913 40.800 -0.001 0.000 0.896 253 D HN 0.580 nan 8.370 nan 0.000 0.523 254 T N -2.096 112.467 114.554 0.014 0.000 3.067 254 T HA 0.049 4.399 4.350 -0.000 0.000 0.261 254 T C 1.137 175.857 174.700 0.032 0.000 1.110 254 T CA -0.089 62.023 62.100 0.020 0.000 1.113 254 T CB -0.066 68.814 68.868 0.020 0.000 0.917 254 T HN 0.005 nan 8.240 nan 0.000 0.499 255 L N 2.577 123.823 121.223 0.040 0.000 2.452 255 L HA 0.273 4.612 4.340 -0.000 0.000 0.267 255 L C -0.776 176.138 176.870 0.072 0.000 1.188 255 L CA -1.908 52.984 54.840 0.086 0.000 0.821 255 L CB 0.703 42.854 42.059 0.153 0.000 1.102 255 L HN 0.002 nan 8.230 nan 0.000 0.470 256 P HA -0.022 nan 4.420 nan 0.000 0.224 256 P C 0.088 177.316 177.300 -0.121 0.000 1.157 256 P CA 1.162 64.271 63.100 0.015 0.000 0.799 256 P CB 0.553 32.290 31.700 0.062 0.000 0.809 257 K N -0.440 119.757 120.400 -0.339 0.000 2.359 257 K HA 0.730 5.050 4.320 -0.000 0.000 0.261 257 K C -0.507 175.643 176.600 -0.749 0.000 1.050 257 K CA -0.912 54.931 56.287 -0.740 0.000 1.053 257 K CB 1.112 32.803 32.500 -1.348 0.000 1.492 257 K HN -0.222 nan 8.250 nan 0.000 0.640 258 A N 1.192 123.496 122.820 -0.861 0.000 2.599 258 A HA 0.353 4.672 4.320 -0.000 0.000 0.281 258 A C -1.812 175.555 177.584 -0.361 0.000 1.137 258 A CA -0.667 51.138 52.037 -0.387 0.000 0.767 258 A CB 0.407 19.287 19.000 -0.201 0.000 1.266 258 A HN 0.540 nan 8.150 nan 0.000 0.420 259 W N 3.275 124.556 121.300 -0.032 0.000 2.335 259 W HA 0.548 5.208 4.660 -0.000 0.000 0.307 259 W C -0.382 176.118 176.519 -0.032 0.000 1.117 259 W CA -0.517 56.822 57.345 -0.010 0.000 1.228 259 W CB 1.417 30.886 29.460 0.015 0.000 1.240 259 W HN 0.674 nan 8.180 nan 0.000 0.468 260 I N 0.732 121.369 120.570 0.112 0.000 2.647 260 I HA 0.670 4.840 4.170 -0.000 0.000 0.295 260 I C -0.819 175.244 176.117 -0.091 0.000 1.078 260 I CA -0.462 60.843 61.300 0.008 0.000 1.048 260 I CB 2.320 40.291 38.000 -0.048 0.000 1.239 260 I HN 0.012 nan 8.210 nan 0.000 0.421 261 S N 6.513 122.174 115.700 -0.065 0.000 2.538 261 S HA 0.795 5.265 4.470 -0.000 0.000 0.288 261 S C -1.147 173.425 174.600 -0.046 0.000 1.108 261 S CA -0.595 57.556 58.200 -0.081 0.000 0.971 261 S CB 1.543 64.799 63.200 0.093 0.000 1.041 261 S HN 0.801 nan 8.310 nan 0.000 0.483 262 L N 2.710 123.888 121.223 -0.075 0.000 2.464 262 L HA 0.911 5.251 4.340 -0.000 0.000 0.266 262 L C -0.982 176.072 176.870 0.307 0.000 0.965 262 L CA -0.205 54.699 54.840 0.107 0.000 0.833 262 L CB 1.437 43.534 42.059 0.062 0.000 1.296 262 L HN 0.852 nan 8.230 nan 0.000 0.405 263 A N 3.537 126.572 122.820 0.358 0.000 2.588 263 A HA 0.834 5.154 4.320 -0.000 0.000 0.290 263 A C -1.311 176.488 177.584 0.358 0.000 1.136 263 A CA -0.124 52.155 52.037 0.404 0.000 0.681 263 A CB 1.757 21.019 19.000 0.437 0.000 1.282 263 A HN 0.904 nan 8.150 nan 0.000 0.421 264 V N -1.984 118.066 119.914 0.228 0.000 3.204 264 V HA 0.726 4.846 4.120 -0.000 0.000 0.316 264 V C 0.142 175.900 176.094 -0.560 0.000 1.160 264 V CA -0.722 61.521 62.300 -0.095 0.000 1.044 264 V CB 1.397 33.186 31.823 -0.057 0.000 1.136 264 V HN 1.010 nan 8.190 nan 0.000 0.455 265 E N 0.761 120.280 120.200 -1.133 0.000 2.328 265 E HA 0.412 4.762 4.350 -0.000 0.000 0.265 265 E C 0.424 176.893 176.600 -0.218 0.000 1.057 265 E CA 0.369 56.218 56.400 -0.918 0.000 0.916 265 E CB 0.443 29.711 29.700 -0.720 0.000 0.993 265 E HN 1.029 nan 8.360 nan 0.000 0.446 266 G N 3.893 112.719 108.800 0.043 0.000 2.509 266 G HA2 0.152 4.112 3.960 -0.000 0.000 0.269 266 G HA3 0.152 4.112 3.960 -0.000 0.000 0.269 266 G C -0.424 174.613 174.900 0.228 0.000 1.416 266 G CA -0.497 44.746 45.100 0.238 0.000 1.052 266 G HN 0.567 nan 8.290 nan 0.000 0.542 267 E N 0.765 121.121 120.200 0.260 0.000 2.214 267 E HA 0.353 4.703 4.350 -0.000 0.000 0.274 267 E C -2.326 174.398 176.600 0.206 0.000 0.977 267 E CA -1.531 55.002 56.400 0.222 0.000 0.827 267 E CB 2.185 32.015 29.700 0.216 0.000 1.130 267 E HN 0.236 nan 8.360 nan 0.000 0.394 268 P HA 0.126 nan 4.420 nan 0.000 0.285 268 P C -0.050 177.382 177.300 0.220 0.000 1.269 268 P CA -0.582 62.638 63.100 0.200 0.000 0.844 268 P CB 0.995 32.795 31.700 0.167 0.000 1.094 269 V N -0.587 119.428 119.914 0.168 0.000 2.694 269 V HA 0.065 4.184 4.120 -0.000 0.000 0.306 269 V C 0.593 176.654 176.094 -0.055 0.000 1.054 269 V CA -0.130 62.166 62.300 -0.006 0.000 1.161 269 V CB -1.502 30.292 31.823 -0.048 0.000 0.916 269 V HN 0.749 nan 8.190 nan 0.000 0.490 270 N N 0.788 119.365 118.700 -0.206 0.000 2.663 270 N HA -0.170 4.570 4.740 -0.000 0.000 0.263 270 N C -0.409 175.113 175.510 0.021 0.000 1.109 270 N CA 1.169 54.163 53.050 -0.093 0.000 0.701 270 N CB -0.894 37.559 38.487 -0.056 0.000 0.879 270 N HN 1.282 nan 8.380 nan 0.000 0.550 271 S N 0.278 116.022 115.700 0.074 0.000 2.548 271 S HA 0.737 5.207 4.470 -0.000 0.000 0.286 271 S C -1.852 172.833 174.600 0.142 0.000 1.098 271 S CA -1.451 56.825 58.200 0.126 0.000 0.930 271 S CB 1.749 65.054 63.200 0.174 0.000 1.070 271 S HN -0.006 nan 8.310 nan 0.000 0.480 272 P HA 0.002 nan 4.420 nan 0.000 0.219 272 P C -0.172 177.220 177.300 0.153 0.000 1.146 272 P CA 1.197 64.376 63.100 0.132 0.000 0.808 272 P CB -0.102 31.664 31.700 0.110 0.000 0.779 273 N N -2.528 116.265 118.700 0.154 0.000 2.328 273 N HA 0.066 4.806 4.740 -0.000 0.000 0.247 273 N C 0.749 176.284 175.510 0.041 0.000 1.165 273 N CA -0.346 52.772 53.050 0.113 0.000 0.873 273 N CB -0.405 38.192 38.487 0.183 0.000 1.125 273 N HN 0.071 nan 8.380 nan 0.000 0.513 274 Y N 0.291 120.551 120.300 -0.067 0.000 2.207 274 Y HA -0.150 4.400 4.550 -0.000 0.000 0.287 274 Y C 0.912 176.579 175.900 -0.389 0.000 1.156 274 Y CA 1.683 59.637 58.100 -0.242 0.000 1.182 274 Y CB -0.023 38.210 38.460 -0.378 0.000 0.979 274 Y HN 0.106 nan 8.280 nan 0.000 0.521 275 F N -2.040 117.906 119.950 -0.006 0.000 2.446 275 F HA -0.048 4.479 4.527 -0.000 0.000 0.292 275 F C 2.126 177.808 175.800 -0.198 0.000 1.096 275 F CA 0.648 58.592 58.000 -0.095 0.000 1.438 275 F CB -0.344 38.675 39.000 0.030 0.000 1.107 275 F HN -0.191 nan 8.300 nan 0.000 0.546 276 V N 0.282 120.149 119.914 -0.079 0.000 2.295 276 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 276 V C 2.612 178.350 176.094 -0.594 0.000 1.049 276 V CA 1.887 64.023 62.300 -0.273 0.000 1.024 276 V CB -1.499 30.155 31.823 -0.282 0.000 0.648 276 V HN 0.331 nan 8.190 nan 0.000 0.447 277 A N -0.043 122.311 122.820 -0.777 0.000 1.883 277 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 277 A C 2.267 179.670 177.584 -0.300 0.000 1.186 277 A CA 2.368 53.865 52.037 -0.901 0.000 0.624 277 A CB -0.570 18.176 19.000 -0.423 0.000 0.822 277 A HN 0.464 nan 8.150 nan 0.000 0.444 278 K N -0.827 119.417 120.400 -0.260 0.000 2.103 278 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 278 K C 1.775 178.327 176.600 -0.082 0.000 1.048 278 K CA 1.248 57.442 56.287 -0.155 0.000 0.930 278 K CB -0.381 31.985 32.500 -0.224 0.000 0.716 278 K HN 0.425 nan 8.250 nan 0.000 0.444 279 L N -0.205 120.950 121.223 -0.115 0.000 2.093 279 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 279 L C 1.976 178.776 176.870 -0.116 0.000 1.085 279 L CA 1.714 56.490 54.840 -0.107 0.000 0.755 279 L CB -0.538 41.449 42.059 -0.120 0.000 0.904 279 L HN 0.179 nan 8.230 nan 0.000 0.435 280 A N -0.244 122.495 122.820 -0.135 0.000 1.883 280 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 280 A C 2.467 180.174 177.584 0.205 0.000 1.186 280 A CA 1.899 53.924 52.037 -0.019 0.000 0.624 280 A CB -1.282 17.598 19.000 -0.200 0.000 0.822 280 A HN 0.548 nan 8.150 nan 0.000 0.444 281 A N -1.226 121.761 122.820 0.277 0.000 1.940 281 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 281 A C 2.125 179.691 177.584 -0.029 0.000 1.176 281 A CA 2.199 54.235 52.037 -0.001 0.000 0.631 281 A CB -0.505 18.356 19.000 -0.231 0.000 0.814 281 A HN 0.546 nan 8.150 nan 0.000 0.446 282 Q N -0.075 119.696 119.800 -0.048 0.000 2.224 282 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 282 Q C 1.684 177.594 176.000 -0.149 0.000 0.970 282 Q CA 1.309 57.071 55.803 -0.067 0.000 0.865 282 Q CB -0.490 28.209 28.738 -0.066 0.000 0.922 282 Q HN 0.734 nan 8.270 nan 0.000 0.445 283 I N -0.679 119.720 120.570 -0.285 0.000 2.264 283 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 283 I C 0.974 176.730 176.117 -0.601 0.000 1.111 283 I CA 1.166 62.165 61.300 -0.501 0.000 1.382 283 I CB -0.184 37.372 38.000 -0.741 0.000 1.060 283 I HN 0.193 nan 8.210 nan 0.000 0.418 284 F N 0.180 120.018 119.950 -0.187 0.000 2.714 284 F HA 0.338 4.864 4.527 -0.000 0.000 0.294 284 F C 1.908 177.624 175.800 -0.140 0.000 1.120 284 F CA 0.349 58.158 58.000 -0.317 0.000 1.398 284 F CB -1.050 37.431 39.000 -0.866 0.000 1.120 284 F HN 0.109 nan 8.300 nan 0.000 0.589 285 G N 0.942 109.761 108.800 0.032 0.000 2.632 285 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.322 285 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.322 285 G C 0.196 175.339 174.900 0.405 0.000 1.326 285 G CA 0.551 45.756 45.100 0.175 0.000 0.986 285 G HN 0.724 nan 8.290 nan 0.000 0.541 286 S N -1.640 114.226 115.700 0.276 0.000 2.667 286 S HA 0.766 5.236 4.470 -0.000 0.000 0.292 286 S C -0.948 173.599 174.600 -0.089 0.000 1.126 286 S CA 0.149 58.460 58.200 0.185 0.000 0.881 286 S CB 2.707 65.990 63.200 0.138 0.000 1.132 286 S HN 2.122 nan 8.310 nan 0.000 0.492 287 Y N 0.559 120.486 120.300 -0.622 0.000 2.592 287 Y HA 0.560 5.110 4.550 -0.000 0.000 0.334 287 Y C -1.750 173.910 175.900 -0.400 0.000 1.136 287 Y CA -0.616 57.086 58.100 -0.664 0.000 1.042 287 Y CB 1.597 39.255 38.460 -1.336 0.000 1.325 287 Y HN 0.996 nan 8.280 nan 0.000 0.457 288 N N 4.132 122.217 118.700 -1.024 0.000 2.607 288 N HA 0.389 5.128 4.740 -0.000 0.000 0.271 288 N C 0.186 175.175 175.510 -0.869 0.000 1.142 288 N CA 0.432 53.076 53.050 -0.678 0.000 0.810 288 N CB 1.708 40.045 38.487 -0.250 0.000 1.306 288 N HN 0.957 nan 8.380 nan 0.000 0.536 289 A N 2.783 125.040 122.820 -0.938 0.000 2.023 289 A HA -0.210 4.110 4.320 -0.000 0.000 0.223 289 A C 1.036 178.355 177.584 -0.441 0.000 1.180 289 A CA 1.461 53.161 52.037 -0.562 0.000 0.659 289 A CB -0.668 18.142 19.000 -0.318 0.000 0.817 289 A HN 0.697 nan 8.150 nan 0.000 0.466 290 F N -0.273 119.565 119.950 -0.187 0.000 2.710 290 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 290 F C 0.842 176.584 175.800 -0.096 0.000 1.137 290 F CA 0.365 58.304 58.000 -0.102 0.000 1.444 290 F CB 0.272 39.232 39.000 -0.068 0.000 1.111 290 F HN 0.030 nan 8.300 nan 0.000 0.580 291 E N 1.152 121.354 120.200 0.004 0.000 2.081 291 E HA 0.144 4.493 4.350 -0.000 0.000 0.281 291 E C -1.748 174.833 176.600 -0.032 0.000 0.986 291 E CA -1.902 54.490 56.400 -0.013 0.000 0.796 291 E CB 1.159 30.835 29.700 -0.040 0.000 1.085 291 E HN 0.026 nan 8.360 nan 0.000 0.398 292 P HA -0.249 nan 4.420 nan 0.000 0.218 292 P C 1.026 178.330 177.300 0.007 0.000 1.154 292 P CA 1.945 65.047 63.100 0.003 0.000 0.872 292 P CB 0.347 32.053 31.700 0.010 0.000 0.790 293 A N -1.349 121.473 122.820 0.003 0.000 2.015 293 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 293 A C 2.442 180.034 177.584 0.015 0.000 1.163 293 A CA 1.867 53.909 52.037 0.009 0.000 0.646 293 A CB -1.450 17.553 19.000 0.006 0.000 0.806 293 A HN 0.176 nan 8.150 nan 0.000 0.448 294 S N -0.888 114.806 115.700 -0.009 0.000 2.428 294 S HA -0.069 4.401 4.470 -0.000 0.000 0.230 294 S C 2.059 176.731 174.600 0.120 0.000 1.014 294 S CA 0.861 59.058 58.200 -0.005 0.000 0.957 294 S CB -0.281 62.821 63.200 -0.162 0.000 0.784 294 S HN 0.635 nan 8.310 nan 0.000 0.499 295 R N 0.234 120.800 120.500 0.110 0.000 2.153 295 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 295 R C 1.551 177.924 176.300 0.122 0.000 1.072 295 R CA 0.808 57.030 56.100 0.203 0.000 0.990 295 R CB -0.219 30.159 30.300 0.130 0.000 0.889 295 R HN 0.397 nan 8.270 nan 0.000 0.452 296 L N 1.118 122.385 121.223 0.074 0.000 2.599 296 L HA 0.035 4.375 4.340 -0.000 0.000 0.230 296 L C 0.529 177.426 176.870 0.044 0.000 1.141 296 L CA 0.139 55.006 54.840 0.045 0.000 0.877 296 L CB -0.272 41.804 42.059 0.027 0.000 1.009 296 L HN 0.099 nan 8.230 nan 0.000 0.447 297 Q N 0.673 120.514 119.800 0.068 0.000 2.428 297 Q HA 0.055 4.395 4.340 -0.000 0.000 0.276 297 Q C 0.976 176.999 176.000 0.039 0.000 1.059 297 Q CA 0.337 56.174 55.803 0.058 0.000 0.923 297 Q CB 0.478 29.270 28.738 0.090 0.000 1.283 297 Q HN 0.314 nan 8.270 nan 0.000 0.447 298 G N 2.828 111.640 108.800 0.020 0.000 3.316 298 G HA2 0.318 4.278 3.960 -0.000 0.000 0.255 298 G HA3 0.318 4.278 3.960 -0.000 0.000 0.255 298 G C -0.206 174.695 174.900 0.002 0.000 0.880 298 G CA -0.143 44.958 45.100 0.003 0.000 1.956 298 G HN 0.418 nan 8.290 nan 0.000 0.634 299 I N 0.713 121.297 120.570 0.024 0.000 2.410 299 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 299 I C 1.091 177.225 176.117 0.028 0.000 1.009 299 I CA -0.794 60.529 61.300 0.040 0.000 1.111 299 I CB 2.079 40.143 38.000 0.107 0.000 1.262 299 I HN 0.150 nan 8.210 nan 0.000 0.443 300 K N 3.688 124.103 120.400 0.024 0.000 2.063 300 K HA -0.195 4.124 4.320 -0.000 0.000 0.208 300 K C 1.820 178.406 176.600 -0.024 0.000 1.048 300 K CA 1.341 57.632 56.287 0.005 0.000 0.928 300 K CB -0.075 32.440 32.500 0.025 0.000 0.713 300 K HN 0.488 nan 8.250 nan 0.000 0.442 301 L N 1.789 123.018 121.223 0.009 0.000 2.189 301 L HA -0.154 4.186 4.340 -0.000 0.000 0.214 301 L C 1.952 178.736 176.870 -0.142 0.000 1.097 301 L CA 1.314 56.100 54.840 -0.089 0.000 0.764 301 L CB -0.319 41.674 42.059 -0.109 0.000 0.900 301 L HN 0.142 nan 8.230 nan 0.000 0.436 302 L N -0.805 120.368 121.223 -0.084 0.000 2.131 302 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 302 L C 2.088 178.875 176.870 -0.138 0.000 1.092 302 L CA 1.266 56.030 54.840 -0.128 0.000 0.759 302 L CB -0.764 41.252 42.059 -0.071 0.000 0.903 302 L HN 0.368 nan 8.230 nan 0.000 0.435 303 D N -0.085 120.237 120.400 -0.130 0.000 2.178 303 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 303 D C 1.735 177.911 176.300 -0.207 0.000 0.980 303 D CA 1.248 55.166 54.000 -0.137 0.000 0.842 303 D CB -0.202 40.527 40.800 -0.117 0.000 0.948 303 D HN 0.533 nan 8.370 nan 0.000 0.472 304 N N 0.469 118.970 118.700 -0.332 0.000 2.173 304 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 304 N C 2.119 177.434 175.510 -0.325 0.000 1.025 304 N CA 0.597 53.298 53.050 -0.581 0.000 0.852 304 N CB -0.037 37.731 38.487 -1.198 0.000 0.998 304 N HN 0.186 nan 8.380 nan 0.000 0.427 305 I N -0.102 120.344 120.570 -0.206 0.000 2.493 305 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 305 I C 1.704 177.816 176.117 -0.009 0.000 1.160 305 I CA 1.466 62.730 61.300 -0.059 0.000 1.445 305 I CB -0.246 37.712 38.000 -0.071 0.000 1.086 305 I HN 0.075 nan 8.210 nan 0.000 0.433 306 Q N 0.672 120.440 119.800 -0.053 0.000 2.331 306 Q HA -0.119 4.220 4.340 -0.000 0.000 0.203 306 Q C 2.039 178.023 176.000 -0.027 0.000 0.944 306 Q CA 0.980 56.773 55.803 -0.017 0.000 0.892 306 Q CB -0.130 28.595 28.738 -0.022 0.000 0.983 306 Q HN 0.707 nan 8.270 nan 0.000 0.482 307 E N 0.151 120.332 120.200 -0.031 0.000 2.118 307 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 307 E C 0.360 176.804 176.600 -0.261 0.000 0.992 307 E CA 1.143 57.473 56.400 -0.116 0.000 0.804 307 E CB 0.208 29.884 29.700 -0.039 0.000 0.741 307 E HN 0.395 nan 8.360 nan 0.000 0.458 308 Y N -0.984 119.322 120.300 0.009 0.000 2.588 308 Y HA 0.216 4.766 4.550 -0.000 0.000 0.247 308 Y C -0.305 175.604 175.900 0.016 0.000 1.157 308 Y CA -0.379 57.731 58.100 0.017 0.000 1.215 308 Y CB 0.922 39.403 38.460 0.034 0.000 1.245 308 Y HN -0.093 nan 8.280 nan 0.000 0.534 309 Q N 0.663 120.535 119.800 0.120 0.000 2.455 309 Q HA -0.179 4.161 4.340 -0.000 0.000 0.343 309 Q C -0.099 175.969 176.000 0.113 0.000 1.458 309 Q CA 0.118 55.973 55.803 0.085 0.000 0.923 309 Q CB -1.358 27.395 28.738 0.023 0.000 1.149 309 Q HN 0.476 nan 8.270 nan 0.000 0.357 310 L N -0.296 121.007 121.223 0.135 0.000 2.633 310 L HA 0.122 4.462 4.340 -0.000 0.000 0.235 310 L C 0.957 177.903 176.870 0.126 0.000 1.163 310 L CA 1.453 56.369 54.840 0.127 0.000 0.859 310 L CB -0.760 41.386 42.059 0.144 0.000 0.973 310 L HN 0.867 nan 8.230 nan 0.000 0.451 311 C N -6.221 113.174 119.300 0.158 0.000 3.224 311 C HA 0.289 4.749 4.460 -0.000 0.000 0.348 311 C C 0.700 175.816 174.990 0.211 0.000 1.242 311 C CA -1.102 58.026 59.018 0.184 0.000 1.180 311 C CB 0.642 28.546 27.740 0.273 0.000 1.458 311 C HN 0.075 nan 8.230 nan 0.000 0.485 312 D N 1.395 121.899 120.400 0.173 0.000 2.333 312 D HA 0.169 4.809 4.640 -0.000 0.000 0.208 312 D C 0.362 176.764 176.300 0.171 0.000 0.984 312 D CA 1.332 55.439 54.000 0.179 0.000 0.873 312 D CB 0.134 41.091 40.800 0.262 0.000 0.935 312 D HN 0.862 nan 8.370 nan 0.000 0.521 313 N N -0.180 118.659 118.700 0.231 0.000 4.059 313 N HA 0.141 4.881 4.740 -0.000 0.000 0.212 313 N C -1.405 174.317 175.510 0.354 0.000 1.159 313 N CA -0.625 52.536 53.050 0.185 0.000 0.967 313 N CB 0.825 39.365 38.487 0.088 0.000 1.589 313 N HN -0.060 nan 8.380 nan 0.000 0.549 314 F N -1.084 119.080 119.950 0.357 0.000 2.662 314 F HA 0.687 5.213 4.527 -0.000 0.000 0.312 314 F C -1.715 174.295 175.800 0.351 0.000 1.113 314 F CA -0.873 57.349 58.000 0.371 0.000 0.951 314 F CB 1.701 40.972 39.000 0.451 0.000 1.344 314 F HN 0.633 nan 8.300 nan 0.000 0.462 315 N N 0.220 119.317 118.700 0.662 0.000 2.554 315 N HA 0.182 4.922 4.740 -0.000 0.000 0.271 315 N C -2.125 173.559 175.510 0.290 0.000 1.081 315 N CA -0.656 52.686 53.050 0.487 0.000 0.994 315 N CB 1.565 40.239 38.487 0.311 0.000 1.641 315 N HN 0.855 nan 8.380 nan 0.000 0.511 316 H N 1.546 120.719 119.070 0.173 0.000 2.487 316 H HA 0.489 5.044 4.556 -0.000 0.000 0.333 316 H C -0.581 174.610 175.328 -0.228 0.000 1.114 316 H CA -0.105 55.816 56.048 -0.211 0.000 1.310 316 H CB 1.250 30.897 29.762 -0.192 0.000 1.462 316 H HN 0.553 nan 8.280 nan 0.000 0.516 317 F N -0.809 119.065 119.950 -0.127 0.000 2.675 317 F HA 0.483 5.010 4.527 -0.000 0.000 0.324 317 F C -0.101 175.505 175.800 -0.323 0.000 1.106 317 F CA -1.599 56.315 58.000 -0.142 0.000 0.970 317 F CB 1.548 40.526 39.000 -0.037 0.000 1.385 317 F HN 0.321 nan 8.300 nan 0.000 0.489 318 S N 1.768 117.572 115.700 0.174 0.000 2.317 318 S HA 0.478 4.948 4.470 -0.000 0.000 0.144 318 S C -1.514 173.132 174.600 0.077 0.000 1.660 318 S CA -0.398 57.877 58.200 0.124 0.000 1.273 318 S CB -0.412 62.821 63.200 0.055 0.000 1.330 318 S HN 0.542 nan 8.310 nan 0.000 0.395 319 L N 3.341 124.620 121.223 0.092 0.000 2.477 319 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 319 L C 0.396 177.136 176.870 -0.217 0.000 1.157 319 L CA 0.784 55.542 54.840 -0.136 0.000 0.889 319 L CB 0.718 42.664 42.059 -0.190 0.000 1.158 319 L HN 0.480 nan 8.230 nan 0.000 0.473 320 S N 4.007 119.529 115.700 -0.296 0.000 2.473 320 S HA 0.683 5.153 4.470 -0.000 0.000 0.307 320 S C -0.713 173.711 174.600 -0.293 0.000 1.094 320 S CA -0.466 57.648 58.200 -0.144 0.000 1.070 320 S CB 0.968 64.277 63.200 0.181 0.000 1.019 320 S HN 0.371 nan 8.310 nan 0.000 0.480 321 Y N 0.697 121.094 120.300 0.160 0.000 2.753 321 Y HA 0.430 4.980 4.550 -0.000 0.000 0.324 321 Y C 1.605 177.556 175.900 0.084 0.000 1.147 321 Y CA -1.236 56.920 58.100 0.093 0.000 1.173 321 Y CB 0.919 39.387 38.460 0.013 0.000 1.361 321 Y HN 0.501 nan 8.280 nan 0.000 0.545 322 K N 0.261 120.811 120.400 0.249 0.000 2.009 322 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 322 K C 0.371 177.045 176.600 0.123 0.000 1.049 322 K CA 2.445 58.821 56.287 0.149 0.000 0.929 322 K CB -0.189 32.377 32.500 0.111 0.000 0.714 322 K HN 0.733 nan 8.250 nan 0.000 0.440 323 D N -0.875 119.588 120.400 0.105 0.000 2.392 323 D HA 0.040 4.680 4.640 -0.000 0.000 0.206 323 D C 0.785 177.164 176.300 0.132 0.000 1.046 323 D CA 0.138 54.194 54.000 0.095 0.000 0.865 323 D CB 1.070 41.903 40.800 0.055 0.000 0.969 323 D HN 0.031 nan 8.370 nan 0.000 0.509 324 S N -1.341 114.458 115.700 0.165 0.000 2.929 324 S HA 0.702 5.172 4.470 -0.000 0.000 0.311 324 S C -1.103 173.703 174.600 0.342 0.000 1.213 324 S CA -0.122 58.234 58.200 0.261 0.000 0.908 324 S CB 1.700 65.103 63.200 0.338 0.000 1.287 324 S HN 0.281 nan 8.310 nan 0.000 0.594 325 G N -0.051 109.039 108.800 0.484 0.000 2.495 325 G HA2 0.551 4.511 3.960 -0.000 0.000 0.294 325 G HA3 0.551 4.511 3.960 -0.000 0.000 0.294 325 G C -2.480 172.712 174.900 0.486 0.000 1.397 325 G CA -0.614 44.745 45.100 0.432 0.000 0.790 325 G HN 0.724 nan 8.290 nan 0.000 0.486 326 L N -0.057 121.385 121.223 0.365 0.000 2.441 326 L HA 0.489 4.828 4.340 -0.000 0.000 0.270 326 L C -1.547 175.594 176.870 0.451 0.000 0.973 326 L CA -0.403 54.638 54.840 0.334 0.000 0.842 326 L CB 2.517 44.742 42.059 0.278 0.000 1.239 326 L HN 0.670 nan 8.230 nan 0.000 0.406 327 W N 4.661 126.090 121.300 0.215 0.000 2.417 327 W HA 0.693 5.352 4.660 -0.000 0.000 0.315 327 W C 0.208 176.765 176.519 0.064 0.000 1.045 327 W CA 0.249 57.711 57.345 0.195 0.000 1.221 327 W CB 1.710 31.282 29.460 0.187 0.000 1.309 327 W HN 0.576 nan 8.180 nan 0.000 0.453 328 G N 3.664 112.187 108.800 -0.462 0.000 2.441 328 G HA2 0.410 4.370 3.960 -0.000 0.000 0.225 328 G HA3 0.410 4.370 3.960 -0.000 0.000 0.225 328 G C -1.729 172.553 174.900 -1.031 0.000 1.200 328 G CA -0.324 44.505 45.100 -0.452 0.000 0.947 328 G HN 0.970 nan 8.290 nan 0.000 0.484 329 F N -0.533 118.952 119.950 -0.775 0.000 2.645 329 F HA 0.876 5.403 4.527 -0.000 0.000 0.310 329 F C -0.593 175.051 175.800 -0.260 0.000 1.102 329 F CA -0.923 56.556 58.000 -0.868 0.000 0.952 329 F CB 1.788 40.199 39.000 -0.981 0.000 1.326 329 F HN 0.547 nan 8.300 nan 0.000 0.456 330 S N 0.839 116.394 115.700 -0.242 0.000 2.621 330 S HA 0.830 5.300 4.470 -0.000 0.000 0.302 330 S C -0.870 173.671 174.600 -0.098 0.000 1.093 330 S CA -0.650 57.475 58.200 -0.124 0.000 1.017 330 S CB 1.905 65.250 63.200 0.241 0.000 1.077 330 S HN 0.933 nan 8.310 nan 0.000 0.517 331 T N 0.068 114.591 114.554 -0.050 0.000 2.893 331 T HA 0.626 4.976 4.350 -0.000 0.000 0.337 331 T C -2.146 172.621 174.700 0.113 0.000 1.587 331 T CA -0.373 61.805 62.100 0.130 0.000 1.066 331 T CB 1.153 70.135 68.868 0.192 0.000 1.414 331 T HN 0.888 nan 8.240 nan 0.000 0.488 332 A N 2.089 124.979 122.820 0.115 0.000 2.374 332 A HA 0.856 5.176 4.320 -0.000 0.000 0.305 332 A C -0.210 177.328 177.584 -0.076 0.000 1.053 332 A CA -0.519 51.462 52.037 -0.094 0.000 0.726 332 A CB 1.932 20.887 19.000 -0.075 0.000 1.229 332 A HN 1.014 nan 8.150 nan 0.000 0.431 333 T N 0.456 114.888 114.554 -0.203 0.000 2.883 333 T HA 0.559 4.909 4.350 -0.000 0.000 0.301 333 T C 0.214 174.806 174.700 -0.179 0.000 1.158 333 T CA -0.484 61.551 62.100 -0.107 0.000 1.007 333 T CB 1.371 70.219 68.868 -0.033 0.000 1.186 333 T HN 0.612 nan 8.240 nan 0.000 0.499 334 R N 1.468 121.915 120.500 -0.088 0.000 2.404 334 R HA 0.282 4.622 4.340 -0.000 0.000 0.237 334 R C 0.755 177.027 176.300 -0.047 0.000 0.907 334 R CA -0.078 55.971 56.100 -0.086 0.000 1.063 334 R CB 0.218 30.499 30.300 -0.032 0.000 1.134 334 R HN 0.558 nan 8.270 nan 0.000 0.529 335 N N 1.704 120.389 118.700 -0.026 0.000 3.124 335 N HA -0.006 4.733 4.740 -0.000 0.000 0.284 335 N C 1.310 176.803 175.510 -0.029 0.000 1.209 335 N CA -0.286 52.760 53.050 -0.007 0.000 1.149 335 N CB 0.762 39.264 38.487 0.025 0.000 1.434 335 N HN 0.015 nan 8.380 nan 0.000 0.529 336 V N -0.518 119.370 119.914 -0.044 0.000 2.867 336 V HA -0.143 3.976 4.120 -0.000 0.000 0.260 336 V C 1.971 178.038 176.094 -0.045 0.000 1.099 336 V CA 1.925 64.193 62.300 -0.053 0.000 1.122 336 V CB -0.941 30.848 31.823 -0.057 0.000 0.708 336 V HN 0.551 nan 8.190 nan 0.000 0.490 337 T N -2.938 111.593 114.554 -0.038 0.000 3.067 337 T HA 0.226 4.576 4.350 -0.000 0.000 0.257 337 T C 1.278 175.943 174.700 -0.059 0.000 1.105 337 T CA 0.894 62.967 62.100 -0.044 0.000 1.104 337 T CB -0.235 68.610 68.868 -0.038 0.000 0.925 337 T HN 0.494 nan 8.240 nan 0.000 0.498 338 M N 0.292 119.860 119.600 -0.053 0.000 2.692 338 M HA 0.477 4.957 4.480 -0.000 0.000 0.372 338 M C 0.759 177.026 176.300 -0.055 0.000 1.192 338 M CA -0.158 55.102 55.300 -0.067 0.000 0.928 338 M CB 0.200 32.762 32.600 -0.064 0.000 1.366 338 M HN 0.107 nan 8.290 nan 0.000 0.517 339 I N 1.240 121.777 120.570 -0.054 0.000 2.361 339 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 339 I C 2.213 178.290 176.117 -0.065 0.000 1.133 339 I CA 1.393 62.665 61.300 -0.047 0.000 1.413 339 I CB -0.362 37.609 38.000 -0.049 0.000 1.073 339 I HN 0.499 nan 8.210 nan 0.000 0.424 340 D N 0.388 120.733 120.400 -0.092 0.000 2.269 340 D HA -0.205 4.435 4.640 -0.000 0.000 0.208 340 D C 1.227 177.433 176.300 -0.157 0.000 0.963 340 D CA 1.015 54.943 54.000 -0.121 0.000 0.864 340 D CB -0.311 40.406 40.800 -0.138 0.000 0.936 340 D HN 0.351 nan 8.370 nan 0.000 0.505 341 D N 0.911 121.210 120.400 -0.168 0.000 2.162 341 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 341 D C 2.272 178.462 176.300 -0.183 0.000 0.967 341 D CA -0.014 53.824 54.000 -0.270 0.000 0.840 341 D CB 0.031 40.694 40.800 -0.227 0.000 0.972 341 D HN 0.217 nan 8.370 nan 0.000 0.482 342 L N 0.971 122.165 121.223 -0.048 0.000 2.012 342 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 342 L C 2.186 179.009 176.870 -0.078 0.000 1.073 342 L CA 1.098 55.941 54.840 0.005 0.000 0.748 342 L CB -0.155 41.931 42.059 0.044 0.000 0.891 342 L HN -0.032 nan 8.230 nan 0.000 0.431 343 I N -0.386 120.133 120.570 -0.086 0.000 2.113 343 I HA -0.339 3.831 4.170 -0.000 0.000 0.238 343 I C 2.521 178.496 176.117 -0.237 0.000 1.070 343 I CA 1.694 62.914 61.300 -0.132 0.000 1.332 343 I CB -1.740 36.199 38.000 -0.101 0.000 1.044 343 I HN 0.432 nan 8.210 nan 0.000 0.402 344 H N 1.194 120.073 119.070 -0.318 0.000 2.289 344 H HA -0.247 4.309 4.556 -0.000 0.000 0.294 344 H C 2.085 177.210 175.328 -0.339 0.000 1.095 344 H CA 2.158 57.983 56.048 -0.371 0.000 1.256 344 H CB -0.469 29.011 29.762 -0.470 0.000 1.359 344 H HN 0.123 nan 8.280 nan 0.000 0.487 345 F N 0.425 120.126 119.950 -0.415 0.000 2.095 345 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 345 F C 2.821 178.315 175.800 -0.511 0.000 1.104 345 F CA 1.723 59.453 58.000 -0.450 0.000 1.232 345 F CB -1.190 37.648 39.000 -0.270 0.000 0.987 345 F HN 0.212 nan 8.300 nan 0.000 0.475 346 T N 0.594 114.906 114.554 -0.403 0.000 2.595 346 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 346 T C 2.032 176.113 174.700 -1.032 0.000 1.058 346 T CA 1.485 63.104 62.100 -0.802 0.000 1.166 346 T CB -0.697 67.515 68.868 -1.094 0.000 0.863 346 T HN -0.012 nan 8.240 nan 0.000 0.415 347 L N 0.859 121.524 121.223 -0.929 0.000 2.187 347 L HA -0.022 4.317 4.340 -0.000 0.000 0.213 347 L C 2.354 178.995 176.870 -0.382 0.000 1.100 347 L CA 1.517 55.894 54.840 -0.772 0.000 0.765 347 L CB -0.579 41.176 42.059 -0.507 0.000 0.904 347 L HN 0.075 nan 8.230 nan 0.000 0.437 348 K N -0.937 119.243 120.400 -0.367 0.000 2.305 348 K HA -0.007 4.312 4.320 -0.000 0.000 0.199 348 K C 2.002 178.554 176.600 -0.080 0.000 1.047 348 K CA 0.415 56.578 56.287 -0.206 0.000 0.976 348 K CB 0.085 32.406 32.500 -0.299 0.000 0.765 348 K HN 0.352 nan 8.250 nan 0.000 0.474 349 Q N -0.696 119.015 119.800 -0.148 0.000 2.096 349 Q HA -0.097 4.243 4.340 -0.000 0.000 0.197 349 Q C 1.787 177.901 176.000 0.191 0.000 0.964 349 Q CA 0.967 56.772 55.803 0.003 0.000 0.838 349 Q CB -0.045 28.625 28.738 -0.114 0.000 0.906 349 Q HN 0.323 nan 8.270 nan 0.000 0.444 350 W N 1.591 122.759 121.300 -0.220 0.000 2.374 350 W HA -0.088 4.572 4.660 -0.000 0.000 0.288 350 W C 1.696 178.290 176.519 0.125 0.000 1.218 350 W CA 0.529 57.843 57.345 -0.052 0.000 1.245 350 W CB -1.190 28.225 29.460 -0.075 0.000 1.126 350 W HN 0.354 nan 8.180 nan 0.000 0.545 351 N N -0.021 118.862 118.700 0.305 0.000 2.205 351 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 351 N C 1.743 177.464 175.510 0.351 0.000 1.015 351 N CA 1.281 54.534 53.050 0.338 0.000 0.862 351 N CB -0.331 38.302 38.487 0.244 0.000 0.986 351 N HN 0.172 nan 8.380 nan 0.000 0.429 352 R N 0.906 121.578 120.500 0.286 0.000 2.105 352 R HA -0.058 4.282 4.340 -0.000 0.000 0.239 352 R C 1.992 178.416 176.300 0.206 0.000 1.135 352 R CA 0.812 57.049 56.100 0.228 0.000 0.967 352 R CB -0.448 29.983 30.300 0.217 0.000 0.861 352 R HN 0.288 nan 8.270 nan 0.000 0.442 353 L N 0.317 121.705 121.223 0.274 0.000 2.349 353 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 353 L C 1.660 178.610 176.870 0.134 0.000 1.130 353 L CA 1.143 56.108 54.840 0.208 0.000 0.791 353 L CB -0.454 41.769 42.059 0.274 0.000 0.918 353 L HN 0.290 nan 8.230 nan 0.000 0.444 354 T N -0.741 113.886 114.554 0.123 0.000 3.042 354 T HA 0.083 4.433 4.350 -0.000 0.000 0.245 354 T C 1.720 176.369 174.700 -0.085 0.000 1.029 354 T CA 0.754 62.853 62.100 -0.002 0.000 1.120 354 T CB 0.279 69.120 68.868 -0.045 0.000 0.917 354 T HN 0.413 nan 8.240 nan 0.000 0.467 355 I N -0.484 120.062 120.570 -0.040 0.000 3.616 355 I HA 0.350 4.519 4.170 -0.000 0.000 0.296 355 I C 1.636 177.749 176.117 -0.007 0.000 1.226 355 I CA 0.316 61.578 61.300 -0.063 0.000 1.394 355 I CB 0.301 38.258 38.000 -0.071 0.000 1.171 355 I HN 0.162 nan 8.210 nan 0.000 0.442 356 S N 0.463 116.184 115.700 0.035 0.000 2.960 356 S HA 0.261 4.731 4.470 -0.000 0.000 0.256 356 S C 0.177 174.797 174.600 0.034 0.000 1.017 356 S CA -0.288 57.931 58.200 0.031 0.000 1.144 356 S CB -0.324 62.900 63.200 0.040 0.000 1.109 356 S HN 0.166 nan 8.310 nan 0.000 0.638 357 V N 4.352 124.291 119.914 0.041 0.000 2.694 357 V HA 0.378 4.498 4.120 -0.000 0.000 0.306 357 V C 0.575 176.667 176.094 -0.003 0.000 1.054 357 V CA 1.166 63.479 62.300 0.023 0.000 1.161 357 V CB 0.695 32.530 31.823 0.020 0.000 0.916 357 V HN 0.741 nan 8.190 nan 0.000 0.490 358 T N 2.554 117.098 114.554 -0.017 0.000 2.934 358 T HA 0.350 4.700 4.350 -0.000 0.000 0.283 358 T C 0.864 175.542 174.700 -0.036 0.000 1.005 358 T CA -0.374 61.712 62.100 -0.023 0.000 1.041 358 T CB 1.302 70.157 68.868 -0.021 0.000 1.042 358 T HN 0.705 nan 8.240 nan 0.000 0.505 359 D N 1.033 121.414 120.400 -0.033 0.000 2.106 359 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 359 D C 2.154 178.427 176.300 -0.046 0.000 0.997 359 D CA 2.197 56.175 54.000 -0.038 0.000 0.834 359 D CB -0.420 40.362 40.800 -0.031 0.000 0.956 359 D HN 0.830 nan 8.370 nan 0.000 0.448 360 T N -0.429 114.100 114.554 -0.042 0.000 3.025 360 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 360 T C 1.552 176.217 174.700 -0.058 0.000 1.126 360 T CA 0.980 63.053 62.100 -0.046 0.000 1.105 360 T CB -0.017 68.829 68.868 -0.037 0.000 0.884 360 T HN 0.157 nan 8.240 nan 0.000 0.522 361 E N -0.091 120.069 120.200 -0.067 0.000 2.140 361 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 361 E C 2.299 178.832 176.600 -0.112 0.000 0.973 361 E CA 0.704 57.047 56.400 -0.094 0.000 0.829 361 E CB 0.122 29.759 29.700 -0.105 0.000 0.781 361 E HN 0.390 nan 8.360 nan 0.000 0.466 362 V N 1.935 121.792 119.914 -0.095 0.000 2.283 362 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 362 V C 2.144 178.183 176.094 -0.093 0.000 1.039 362 V CA 1.537 63.779 62.300 -0.097 0.000 1.016 362 V CB -0.380 31.398 31.823 -0.076 0.000 0.650 362 V HN 0.165 nan 8.190 nan 0.000 0.449 363 E N 0.228 120.381 120.200 -0.079 0.000 2.118 363 E HA -0.247 4.102 4.350 -0.000 0.000 0.195 363 E C 2.267 178.816 176.600 -0.085 0.000 0.992 363 E CA 1.301 57.654 56.400 -0.078 0.000 0.804 363 E CB -0.375 29.287 29.700 -0.063 0.000 0.741 363 E HN 0.530 nan 8.360 nan 0.000 0.458 364 R N 0.663 121.114 120.500 -0.082 0.000 2.066 364 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 364 R C 2.280 178.524 176.300 -0.094 0.000 1.131 364 R CA 1.362 57.414 56.100 -0.080 0.000 0.955 364 R CB -0.211 30.045 30.300 -0.073 0.000 0.851 364 R HN 0.128 nan 8.270 nan 0.000 0.432 365 A N 1.542 124.297 122.820 -0.108 0.000 1.892 365 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 365 A C 2.029 179.542 177.584 -0.117 0.000 1.188 365 A CA 1.905 53.872 52.037 -0.116 0.000 0.631 365 A CB -0.452 18.467 19.000 -0.136 0.000 0.822 365 A HN 0.394 nan 8.150 nan 0.000 0.447 366 K N -0.213 120.113 120.400 -0.124 0.000 1.977 366 K HA -0.140 4.180 4.320 -0.000 0.000 0.218 366 K C 2.392 178.878 176.600 -0.189 0.000 1.051 366 K CA 1.766 57.961 56.287 -0.153 0.000 0.953 366 K CB -0.456 31.957 32.500 -0.146 0.000 0.727 366 K HN 0.430 nan 8.250 nan 0.000 0.445 367 S N 1.506 117.108 115.700 -0.163 0.000 2.381 367 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 367 S C 1.928 176.437 174.600 -0.151 0.000 1.052 367 S CA 1.365 59.467 58.200 -0.164 0.000 1.068 367 S CB -0.369 62.764 63.200 -0.112 0.000 0.918 367 S HN 0.216 nan 8.310 nan 0.000 0.448 368 L N 0.538 121.693 121.223 -0.113 0.000 2.217 368 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 368 L C 2.330 179.149 176.870 -0.085 0.000 1.107 368 L CA 0.720 55.511 54.840 -0.082 0.000 0.783 368 L CB -0.445 41.580 42.059 -0.056 0.000 0.919 368 L HN 0.326 nan 8.230 nan 0.000 0.442 369 L N 0.079 121.235 121.223 -0.111 0.000 2.044 369 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 369 L C 2.619 179.406 176.870 -0.139 0.000 1.075 369 L CA 1.340 56.124 54.840 -0.094 0.000 0.747 369 L CB -0.131 41.876 42.059 -0.087 0.000 0.903 369 L HN 0.233 nan 8.230 nan 0.000 0.435 370 K N -0.281 119.936 120.400 -0.305 0.000 2.103 370 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 370 K C 1.927 178.384 176.600 -0.239 0.000 1.048 370 K CA 1.490 57.410 56.287 -0.612 0.000 0.930 370 K CB -0.272 31.537 32.500 -1.152 0.000 0.716 370 K HN 0.203 nan 8.250 nan 0.000 0.444 371 L N 1.799 122.936 121.223 -0.143 0.000 2.005 371 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 371 L C 2.526 179.408 176.870 0.021 0.000 1.072 371 L CA 1.850 56.674 54.840 -0.027 0.000 0.744 371 L CB -0.587 41.452 42.059 -0.033 0.000 0.895 371 L HN 0.177 nan 8.230 nan 0.000 0.433 372 Q N -0.920 118.883 119.800 0.004 0.000 2.230 372 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 372 Q C 2.004 178.023 176.000 0.033 0.000 0.963 372 Q CA 1.969 57.788 55.803 0.027 0.000 0.866 372 Q CB -0.757 27.996 28.738 0.026 0.000 0.931 372 Q HN 0.476 nan 8.270 nan 0.000 0.452 373 L N 0.578 121.812 121.223 0.018 0.000 2.109 373 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 373 L C 2.175 179.031 176.870 -0.025 0.000 1.086 373 L CA 2.111 56.931 54.840 -0.032 0.000 0.760 373 L CB -0.920 41.138 42.059 -0.003 0.000 0.910 373 L HN 0.384 nan 8.230 nan 0.000 0.437 374 G N -1.445 107.425 108.800 0.116 0.000 2.404 374 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 374 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 374 G C 1.404 176.371 174.900 0.112 0.000 1.174 374 G CA 0.560 45.752 45.100 0.154 0.000 0.780 374 G HN 0.514 nan 8.290 nan 0.000 0.537 375 Q N -0.436 119.421 119.800 0.095 0.000 2.364 375 Q HA 0.112 4.452 4.340 -0.000 0.000 0.209 375 Q C 2.288 178.355 176.000 0.111 0.000 0.977 375 Q CA 0.287 56.144 55.803 0.091 0.000 0.885 375 Q CB -0.071 28.711 28.738 0.073 0.000 0.941 375 Q HN 0.449 nan 8.270 nan 0.000 0.464 376 L N -1.049 120.253 121.223 0.131 0.000 2.115 376 L HA -0.078 4.262 4.340 -0.000 0.000 0.200 376 L C 1.892 178.946 176.870 0.307 0.000 1.094 376 L CA 0.813 55.772 54.840 0.198 0.000 0.769 376 L CB -0.246 41.938 42.059 0.208 0.000 0.931 376 L HN 0.266 nan 8.230 nan 0.000 0.455 377 Y N 0.726 121.070 120.300 0.073 0.000 2.315 377 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 377 Y C 0.567 176.481 175.900 0.023 0.000 1.154 377 Y CA 0.419 58.545 58.100 0.045 0.000 1.229 377 Y CB 0.104 38.586 38.460 0.037 0.000 0.980 377 Y HN 0.416 nan 8.280 nan 0.000 0.540 378 E N -0.044 120.269 120.200 0.188 0.000 3.037 378 E HA 0.304 4.654 4.350 -0.000 0.000 0.220 378 E C -0.731 175.922 176.600 0.090 0.000 1.142 378 E CA -0.318 56.144 56.400 0.104 0.000 0.888 378 E CB 1.282 31.024 29.700 0.069 0.000 1.329 378 E HN -0.100 nan 8.360 nan 0.000 0.409 379 S N 0.850 116.604 115.700 0.090 0.000 2.758 379 S HA 0.597 5.067 4.470 -0.000 0.000 0.292 379 S C 0.874 175.527 174.600 0.087 0.000 1.131 379 S CA -0.203 58.048 58.200 0.086 0.000 0.997 379 S CB 1.201 64.454 63.200 0.089 0.000 1.111 379 S HN 0.520 nan 8.310 nan 0.000 0.552 380 G N 1.632 110.492 108.800 0.101 0.000 3.496 380 G HA2 0.181 4.141 3.960 -0.000 0.000 0.273 380 G HA3 0.181 4.141 3.960 -0.000 0.000 0.273 380 G C -0.148 174.847 174.900 0.159 0.000 1.279 380 G CA -0.238 44.955 45.100 0.155 0.000 1.041 380 G HN 0.522 nan 8.290 nan 0.000 0.539 381 N N -0.018 118.747 118.700 0.109 0.000 2.461 381 N HA 0.367 5.107 4.740 -0.000 0.000 0.284 381 N C -2.111 173.442 175.510 0.073 0.000 1.049 381 N CA -2.039 51.064 53.050 0.088 0.000 0.889 381 N CB 2.851 41.377 38.487 0.065 0.000 1.365 381 N HN -0.231 nan 8.380 nan 0.000 0.499 382 P HA -0.121 nan 4.420 nan 0.000 0.217 382 P C 1.460 178.779 177.300 0.033 0.000 1.150 382 P CA 0.917 64.047 63.100 0.051 0.000 0.832 382 P CB 0.271 32.007 31.700 0.060 0.000 0.787 383 V N -2.584 117.354 119.914 0.039 0.000 2.594 383 V HA -0.237 3.882 4.120 -0.000 0.000 0.253 383 V C 1.797 177.906 176.094 0.025 0.000 1.069 383 V CA 1.860 64.179 62.300 0.030 0.000 1.082 383 V CB -1.532 30.316 31.823 0.041 0.000 0.680 383 V HN 0.099 nan 8.190 nan 0.000 0.469 384 N N 0.633 119.354 118.700 0.035 0.000 2.109 384 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 384 N C 1.627 177.146 175.510 0.014 0.000 1.034 384 N CA 1.718 54.792 53.050 0.040 0.000 0.846 384 N CB -0.247 38.276 38.487 0.060 0.000 1.010 384 N HN 0.585 nan 8.380 nan 0.000 0.425 385 D N 1.164 121.566 120.400 0.003 0.000 2.182 385 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 385 D C 1.833 178.088 176.300 -0.074 0.000 0.986 385 D CA 0.720 54.696 54.000 -0.041 0.000 0.847 385 D CB -0.017 40.766 40.800 -0.029 0.000 0.942 385 D HN 0.271 nan 8.370 nan 0.000 0.467 386 A N 1.590 124.380 122.820 -0.050 0.000 1.845 386 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 386 A C 1.984 179.504 177.584 -0.108 0.000 1.195 386 A CA 1.647 53.641 52.037 -0.072 0.000 0.616 386 A CB -0.921 18.053 19.000 -0.044 0.000 0.832 386 A HN 0.174 nan 8.150 nan 0.000 0.443 387 N N -0.345 118.314 118.700 -0.067 0.000 2.348 387 N HA -0.059 4.680 4.740 -0.000 0.000 0.185 387 N C 1.434 176.875 175.510 -0.114 0.000 1.019 387 N CA 1.139 54.152 53.050 -0.062 0.000 0.880 387 N CB -0.219 38.296 38.487 0.047 0.000 0.965 387 N HN 0.507 nan 8.380 nan 0.000 0.437 388 L N -0.492 120.664 121.223 -0.112 0.000 2.249 388 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 388 L C 2.018 178.745 176.870 -0.238 0.000 1.090 388 L CA 0.304 55.053 54.840 -0.151 0.000 0.802 388 L CB -0.187 41.763 42.059 -0.182 0.000 0.947 388 L HN 0.222 nan 8.230 nan 0.000 0.453 389 L N -0.010 121.077 121.223 -0.226 0.000 1.988 389 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 389 L C 2.508 179.234 176.870 -0.239 0.000 1.071 389 L CA 1.652 56.361 54.840 -0.219 0.000 0.744 389 L CB -0.685 41.272 42.059 -0.169 0.000 0.893 389 L HN 0.292 nan 8.230 nan 0.000 0.433 390 G N -0.778 107.859 108.800 -0.272 0.000 2.469 390 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.220 390 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.220 390 G C 1.626 176.254 174.900 -0.453 0.000 1.136 390 G CA 0.933 45.831 45.100 -0.337 0.000 0.759 390 G HN 0.576 nan 8.290 nan 0.000 0.562 391 A N 0.728 123.205 122.820 -0.571 0.000 1.865 391 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 391 A C 2.200 179.626 177.584 -0.264 0.000 1.191 391 A CA 1.971 53.652 52.037 -0.593 0.000 0.623 391 A CB -0.427 18.321 19.000 -0.419 0.000 0.826 391 A HN 0.453 nan 8.150 nan 0.000 0.444 392 E N -0.320 119.759 120.200 -0.201 0.000 2.046 392 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 392 E C 2.055 178.584 176.600 -0.118 0.000 0.982 392 E CA 1.440 57.758 56.400 -0.136 0.000 0.800 392 E CB -0.340 29.282 29.700 -0.131 0.000 0.756 392 E HN 0.602 nan 8.360 nan 0.000 0.449 393 V N -0.489 119.344 119.914 -0.135 0.000 2.867 393 V HA -0.172 3.948 4.120 -0.000 0.000 0.260 393 V C 1.994 178.034 176.094 -0.090 0.000 1.099 393 V CA 1.307 63.543 62.300 -0.107 0.000 1.122 393 V CB -0.586 31.169 31.823 -0.113 0.000 0.708 393 V HN 0.172 nan 8.190 nan 0.000 0.490 394 L N -1.137 120.021 121.223 -0.107 0.000 2.270 394 L HA 0.198 4.538 4.340 -0.000 0.000 0.210 394 L C 2.280 179.138 176.870 -0.021 0.000 1.104 394 L CA 1.079 55.879 54.840 -0.067 0.000 0.804 394 L CB 0.050 42.055 42.059 -0.089 0.000 0.937 394 L HN 0.293 nan 8.230 nan 0.000 0.450 395 I N -0.756 119.798 120.570 -0.028 0.000 3.194 395 I HA -0.110 4.060 4.170 -0.000 0.000 0.271 395 I C 1.738 177.847 176.117 -0.013 0.000 1.150 395 I CA 0.533 61.832 61.300 -0.001 0.000 1.440 395 I CB 0.218 38.227 38.000 0.014 0.000 1.276 395 I HN 0.128 nan 8.210 nan 0.000 0.457 396 K N 0.959 121.338 120.400 -0.035 0.000 2.387 396 K HA 0.382 4.702 4.320 -0.000 0.000 0.203 396 K C 1.062 177.642 176.600 -0.033 0.000 1.030 396 K CA 0.472 56.739 56.287 -0.033 0.000 1.099 396 K CB 0.773 33.245 32.500 -0.046 0.000 0.863 396 K HN 0.158 nan 8.250 nan 0.000 0.529 397 G N 1.795 110.572 108.800 -0.039 0.000 2.283 397 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.280 397 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.280 397 G C -0.118 174.755 174.900 -0.045 0.000 1.029 397 G CA 0.668 45.744 45.100 -0.039 0.000 0.840 397 G HN 0.816 nan 8.290 nan 0.000 0.505 398 S N -2.622 113.044 115.700 -0.057 0.000 2.686 398 S HA 0.615 5.085 4.470 -0.000 0.000 0.273 398 S C -1.082 173.476 174.600 -0.070 0.000 1.060 398 S CA -0.364 57.800 58.200 -0.060 0.000 0.845 398 S CB 1.723 64.896 63.200 -0.044 0.000 1.086 398 S HN 0.885 nan 8.310 nan 0.000 0.461 399 K N 0.343 120.698 120.400 -0.074 0.000 2.259 399 K HA 0.678 4.998 4.320 -0.000 0.000 0.252 399 K C -1.573 175.002 176.600 -0.041 0.000 0.936 399 K CA -1.012 55.226 56.287 -0.081 0.000 0.810 399 K CB 1.387 33.815 32.500 -0.121 0.000 1.143 399 K HN 0.610 nan 8.250 nan 0.000 0.427 400 L N 3.738 124.963 121.223 0.003 0.000 2.265 400 L HA 0.244 4.584 4.340 -0.000 0.000 0.288 400 L C -0.531 176.388 176.870 0.082 0.000 1.058 400 L CA 0.268 55.144 54.840 0.060 0.000 0.809 400 L CB 1.083 43.224 42.059 0.136 0.000 1.179 400 L HN 0.699 nan 8.230 nan 0.000 0.429 401 S N 4.246 119.964 115.700 0.030 0.000 2.533 401 S HA 0.066 4.536 4.470 -0.000 0.000 0.282 401 S C 1.283 175.887 174.600 0.006 0.000 1.304 401 S CA -0.616 57.587 58.200 0.006 0.000 1.063 401 S CB 0.599 63.775 63.200 -0.039 0.000 0.881 401 S HN 0.724 nan 8.310 nan 0.000 0.493 402 L N 4.113 125.339 121.223 0.005 0.000 2.103 402 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 402 L C 2.262 178.889 176.870 -0.406 0.000 1.080 402 L CA 2.473 57.218 54.840 -0.158 0.000 0.764 402 L CB -1.353 40.566 42.059 -0.234 0.000 0.890 402 L HN 0.981 nan 8.230 nan 0.000 0.435 403 G N -1.616 107.004 108.800 -0.300 0.000 2.421 403 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 403 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 403 G C 1.431 176.258 174.900 -0.123 0.000 1.171 403 G CA 0.540 45.488 45.100 -0.253 0.000 0.775 403 G HN 0.404 nan 8.290 nan 0.000 0.543 404 E N 0.913 121.064 120.200 -0.081 0.000 2.110 404 E HA -0.077 4.272 4.350 -0.000 0.000 0.193 404 E C 2.884 179.439 176.600 -0.075 0.000 0.988 404 E CA 0.948 57.321 56.400 -0.046 0.000 0.804 404 E CB -0.465 29.226 29.700 -0.015 0.000 0.745 404 E HN 0.358 nan 8.360 nan 0.000 0.458 405 A N 1.268 124.035 122.820 -0.088 0.000 1.828 405 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 405 A C 1.998 179.496 177.584 -0.144 0.000 1.203 405 A CA 1.388 53.293 52.037 -0.220 0.000 0.614 405 A CB -1.000 17.970 19.000 -0.051 0.000 0.844 405 A HN 0.159 nan 8.150 nan 0.000 0.445 406 F N 0.464 120.277 119.950 -0.229 0.000 2.147 406 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 406 F C 2.239 177.936 175.800 -0.172 0.000 1.084 406 F CA 1.521 59.412 58.000 -0.182 0.000 1.268 406 F CB -0.805 38.129 39.000 -0.110 0.000 1.009 406 F HN 0.255 nan 8.300 nan 0.000 0.486 407 K N 0.190 120.616 120.400 0.045 0.000 2.026 407 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 407 K C 2.073 178.634 176.600 -0.066 0.000 1.048 407 K CA 1.467 57.747 56.287 -0.013 0.000 0.929 407 K CB -0.135 32.355 32.500 -0.018 0.000 0.713 407 K HN 0.194 nan 8.250 nan 0.000 0.439 408 K N 0.459 120.778 120.400 -0.136 0.000 2.097 408 K HA -0.065 4.254 4.320 -0.000 0.000 0.205 408 K C 2.097 178.599 176.600 -0.163 0.000 1.050 408 K CA 1.039 57.237 56.287 -0.148 0.000 0.938 408 K CB -0.062 32.313 32.500 -0.207 0.000 0.718 408 K HN 0.137 nan 8.250 nan 0.000 0.442 409 I N 1.568 121.988 120.570 -0.250 0.000 2.142 409 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 409 I C 1.559 177.602 176.117 -0.123 0.000 1.078 409 I CA 1.261 62.447 61.300 -0.191 0.000 1.343 409 I CB -0.310 37.548 38.000 -0.236 0.000 1.046 409 I HN 0.112 nan 8.210 nan 0.000 0.405 410 D N 1.017 121.349 120.400 -0.113 0.000 2.309 410 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 410 D C 2.064 178.328 176.300 -0.060 0.000 0.968 410 D CA 1.137 55.085 54.000 -0.086 0.000 0.882 410 D CB 0.003 40.762 40.800 -0.068 0.000 0.918 410 D HN 0.351 nan 8.370 nan 0.000 0.503 411 A N 0.319 123.107 122.820 -0.053 0.000 2.067 411 A HA 0.030 4.349 4.320 -0.000 0.000 0.217 411 A C 1.253 178.822 177.584 -0.026 0.000 1.156 411 A CA -0.027 51.990 52.037 -0.032 0.000 0.683 411 A CB -0.244 18.743 19.000 -0.023 0.000 0.808 411 A HN 0.155 nan 8.150 nan 0.000 0.455 412 I N 2.111 122.662 120.570 -0.033 0.000 2.618 412 I HA 0.098 4.267 4.170 -0.000 0.000 0.284 412 I C 0.945 177.043 176.117 -0.032 0.000 1.146 412 I CA 0.068 61.352 61.300 -0.026 0.000 1.425 412 I CB 0.770 38.748 38.000 -0.037 0.000 1.383 412 I HN 0.343 nan 8.210 nan 0.000 0.562 413 T N 1.931 116.472 114.554 -0.021 0.000 2.919 413 T HA 0.354 4.703 4.350 -0.000 0.000 0.282 413 T C 0.996 175.684 174.700 -0.021 0.000 1.020 413 T CA -0.866 61.221 62.100 -0.022 0.000 0.994 413 T CB 1.749 70.609 68.868 -0.014 0.000 1.180 413 T HN 0.216 nan 8.240 nan 0.000 0.566 414 V N 0.853 120.755 119.914 -0.021 0.000 2.358 414 V HA -0.086 4.034 4.120 -0.000 0.000 0.246 414 V C 2.863 178.953 176.094 -0.006 0.000 1.047 414 V CA 1.742 64.032 62.300 -0.017 0.000 1.035 414 V CB -0.837 30.974 31.823 -0.019 0.000 0.658 414 V HN 0.906 nan 8.190 nan 0.000 0.452 415 K N -0.316 120.081 120.400 -0.005 0.000 2.152 415 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 415 K C 1.801 178.410 176.600 0.015 0.000 1.048 415 K CA 1.742 58.029 56.287 0.000 0.000 0.933 415 K CB -0.144 32.355 32.500 -0.002 0.000 0.721 415 K HN 0.508 nan 8.250 nan 0.000 0.447 416 D N -0.210 120.201 120.400 0.017 0.000 2.103 416 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 416 D C 1.910 178.247 176.300 0.062 0.000 0.978 416 D CA 0.897 54.919 54.000 0.037 0.000 0.829 416 D CB -0.234 40.579 40.800 0.022 0.000 0.981 416 D HN -0.043 nan 8.370 nan 0.000 0.464 417 V N 1.401 121.333 119.914 0.031 0.000 2.392 417 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 417 V C 2.288 178.457 176.094 0.125 0.000 1.059 417 V CA 1.517 63.845 62.300 0.047 0.000 1.051 417 V CB -0.392 31.424 31.823 -0.012 0.000 0.658 417 V HN 0.182 nan 8.190 nan 0.000 0.455 418 K N 0.231 120.673 120.400 0.069 0.000 2.062 418 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 418 K C 2.345 178.968 176.600 0.037 0.000 1.051 418 K CA 1.320 57.634 56.287 0.045 0.000 0.941 418 K CB -0.364 32.137 32.500 0.000 0.000 0.719 418 K HN 0.466 nan 8.250 nan 0.000 0.440 419 A N 0.732 123.583 122.820 0.051 0.000 1.933 419 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 419 A C 1.913 179.532 177.584 0.058 0.000 1.175 419 A CA 1.190 53.249 52.037 0.036 0.000 0.628 419 A CB -0.784 18.244 19.000 0.046 0.000 0.814 419 A HN 0.606 nan 8.150 nan 0.000 0.444 420 W N 0.617 121.876 121.300 -0.069 0.000 2.381 420 W HA -0.036 4.623 4.660 -0.000 0.000 0.301 420 W C 2.372 178.814 176.519 -0.128 0.000 1.205 420 W CA 1.981 59.269 57.345 -0.094 0.000 1.285 420 W CB -0.180 29.213 29.460 -0.112 0.000 1.133 420 W HN 0.329 nan 8.180 nan 0.000 0.521 421 A N 0.824 123.655 122.820 0.019 0.000 1.908 421 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 421 A C 2.213 179.657 177.584 -0.234 0.000 1.181 421 A CA 1.994 53.904 52.037 -0.212 0.000 0.627 421 A CB -1.759 17.281 19.000 0.066 0.000 0.818 421 A HN 0.453 nan 8.150 nan 0.000 0.445 422 G N -1.199 107.522 108.800 -0.132 0.000 2.470 422 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 422 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 422 G C 1.611 176.441 174.900 -0.117 0.000 1.121 422 G CA 1.420 46.457 45.100 -0.106 0.000 0.766 422 G HN 0.488 nan 8.290 nan 0.000 0.553 423 K N -0.599 119.664 120.400 -0.228 0.000 2.190 423 K HA 0.279 4.599 4.320 -0.000 0.000 0.202 423 K C 2.464 178.862 176.600 -0.338 0.000 1.045 423 K CA 0.363 56.513 56.287 -0.229 0.000 0.976 423 K CB 0.060 32.439 32.500 -0.201 0.000 0.849 423 K HN -0.012 nan 8.250 nan 0.000 0.468 424 R N -0.687 119.411 120.500 -0.670 0.000 2.156 424 R HA 0.219 4.558 4.340 -0.000 0.000 0.207 424 R C 1.393 177.334 176.300 -0.599 0.000 1.040 424 R CA 0.678 56.317 56.100 -0.767 0.000 1.013 424 R CB 0.001 29.465 30.300 -1.393 0.000 0.931 424 R HN 0.055 nan 8.270 nan 0.000 0.465 425 L N -1.669 119.211 121.223 -0.571 0.000 2.356 425 L HA 0.180 4.520 4.340 -0.000 0.000 0.193 425 L C 0.228 177.079 176.870 -0.031 0.000 1.087 425 L CA 0.423 55.090 54.840 -0.288 0.000 0.817 425 L CB -0.758 41.107 42.059 -0.323 0.000 1.035 425 L HN 0.206 nan 8.230 nan 0.000 0.482 426 W N 2.903 124.110 121.300 -0.156 0.000 2.520 426 W HA -0.068 4.592 4.660 -0.000 0.000 0.337 426 W C 0.256 176.743 176.519 -0.054 0.000 1.406 426 W CA 0.796 58.098 57.345 -0.072 0.000 1.318 426 W CB 0.028 29.450 29.460 -0.064 0.000 1.338 426 W HN 0.463 nan 8.180 nan 0.000 0.570 427 D N 3.244 123.434 120.400 -0.349 0.000 2.737 427 D HA -0.219 4.421 4.640 -0.000 0.000 0.238 427 D C -0.661 175.607 176.300 -0.054 0.000 1.157 427 D CA 1.095 54.954 54.000 -0.235 0.000 0.694 427 D CB -0.481 40.210 40.800 -0.182 0.000 1.021 427 D HN 0.337 nan 8.370 nan 0.000 0.420 428 Q N 0.606 120.384 119.800 -0.037 0.000 2.433 428 Q HA 0.385 4.725 4.340 -0.000 0.000 0.279 428 Q C -0.103 175.943 176.000 0.076 0.000 1.105 428 Q CA -0.702 55.114 55.803 0.022 0.000 0.815 428 Q CB 1.305 30.037 28.738 -0.010 0.000 1.403 428 Q HN 0.232 nan 8.270 nan 0.000 0.435 429 D N 1.311 121.807 120.400 0.161 0.000 2.368 429 D HA 0.347 4.987 4.640 -0.000 0.000 0.240 429 D C 0.286 176.797 176.300 0.352 0.000 1.169 429 D CA 0.256 54.416 54.000 0.267 0.000 0.906 429 D CB 0.751 41.737 40.800 0.310 0.000 1.187 429 D HN 0.417 nan 8.370 nan 0.000 0.435 430 I N -2.994 117.805 120.570 0.381 0.000 3.074 430 I HA 0.730 4.899 4.170 -0.000 0.000 0.310 430 I C -1.204 175.176 176.117 0.437 0.000 1.153 430 I CA -1.293 60.248 61.300 0.401 0.000 0.993 430 I CB 2.260 40.376 38.000 0.193 0.000 1.237 430 I HN 0.233 nan 8.210 nan 0.000 0.443 431 A N 4.105 127.173 122.820 0.412 0.000 2.331 431 A HA 0.877 5.197 4.320 -0.000 0.000 0.320 431 A C -0.839 176.867 177.584 0.204 0.000 1.138 431 A CA -0.558 51.620 52.037 0.234 0.000 0.790 431 A CB 0.827 19.911 19.000 0.140 0.000 1.206 431 A HN 0.668 nan 8.150 nan 0.000 0.470 432 I N 1.418 122.091 120.570 0.172 0.000 2.530 432 I HA 0.703 4.873 4.170 -0.000 0.000 0.297 432 I C 0.272 176.439 176.117 0.084 0.000 1.011 432 I CA -0.441 60.931 61.300 0.119 0.000 1.107 432 I CB 2.258 40.330 38.000 0.120 0.000 1.285 432 I HN 0.749 nan 8.210 nan 0.000 0.436 433 A N 3.739 126.595 122.820 0.061 0.000 2.520 433 A HA 0.951 5.271 4.320 -0.000 0.000 0.298 433 A C -0.691 176.913 177.584 0.033 0.000 1.051 433 A CA -0.484 51.584 52.037 0.051 0.000 0.690 433 A CB 1.900 20.951 19.000 0.085 0.000 1.281 433 A HN 0.895 nan 8.150 nan 0.000 0.402 434 G N -0.430 108.379 108.800 0.014 0.000 2.667 434 G HA2 0.665 4.625 3.960 -0.000 0.000 0.294 434 G HA3 0.665 4.625 3.960 -0.000 0.000 0.294 434 G C -1.062 173.850 174.900 0.020 0.000 1.467 434 G CA 0.322 45.441 45.100 0.033 0.000 0.852 434 G HN 1.133 nan 8.290 nan 0.000 0.521 435 T N -1.102 113.504 114.554 0.087 0.000 2.883 435 T HA 0.869 5.219 4.350 -0.000 0.000 0.296 435 T C 0.675 175.487 174.700 0.187 0.000 1.117 435 T CA 1.359 63.506 62.100 0.077 0.000 1.006 435 T CB 1.263 70.141 68.868 0.015 0.000 1.191 435 T HN 2.633 nan 8.240 nan 0.000 0.508 436 G N 1.893 110.769 108.800 0.126 0.000 2.481 436 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.230 436 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.230 436 G C -0.576 174.350 174.900 0.043 0.000 1.210 436 G CA -0.159 45.031 45.100 0.149 0.000 0.936 436 G HN 0.859 nan 8.290 nan 0.000 0.583 437 Q N 1.110 120.906 119.800 -0.006 0.000 2.837 437 Q HA 0.433 4.773 4.340 -0.000 0.000 0.235 437 Q C 1.126 177.104 176.000 -0.036 0.000 1.348 437 Q CA 0.227 56.012 55.803 -0.030 0.000 0.990 437 Q CB -0.310 28.397 28.738 -0.052 0.000 1.570 437 Q HN 0.613 nan 8.270 nan 0.000 0.575 438 I N -2.193 118.366 120.570 -0.018 0.000 3.889 438 I HA 0.154 4.324 4.170 -0.000 0.000 0.332 438 I C 1.391 177.495 176.117 -0.022 0.000 1.493 438 I CA -0.189 61.099 61.300 -0.020 0.000 1.158 438 I CB 0.067 38.063 38.000 -0.006 0.000 1.117 438 I HN 0.352 nan 8.210 nan 0.000 0.411 439 E N 2.557 122.743 120.200 -0.024 0.000 2.085 439 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 439 E C 2.221 178.803 176.600 -0.030 0.000 0.994 439 E CA 1.654 58.039 56.400 -0.024 0.000 0.801 439 E CB -0.138 29.548 29.700 -0.024 0.000 0.743 439 E HN 0.651 nan 8.360 nan 0.000 0.453 440 G N 0.770 109.548 108.800 -0.037 0.000 2.598 440 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 440 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 440 G C 0.521 175.392 174.900 -0.048 0.000 1.131 440 G CA -0.164 44.909 45.100 -0.046 0.000 0.785 440 G HN 0.195 nan 8.290 nan 0.000 0.539 441 L N 1.533 122.732 121.223 -0.040 0.000 2.433 441 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 441 L C 0.105 176.953 176.870 -0.037 0.000 1.128 441 L CA -0.612 54.205 54.840 -0.039 0.000 0.875 441 L CB 0.509 42.552 42.059 -0.027 0.000 1.171 441 L HN -0.124 nan 8.230 nan 0.000 0.463 442 L N 4.150 125.343 121.223 -0.050 0.000 2.476 442 L HA 0.159 4.499 4.340 -0.000 0.000 0.255 442 L C 0.430 177.285 176.870 -0.026 0.000 1.218 442 L CA 0.035 54.847 54.840 -0.047 0.000 0.819 442 L CB 0.003 42.020 42.059 -0.070 0.000 1.119 442 L HN 0.736 nan 8.230 nan 0.000 0.485 443 D N -0.344 120.046 120.400 -0.015 0.000 2.472 443 D HA -0.177 4.463 4.640 -0.000 0.000 0.237 443 D C 1.050 177.374 176.300 0.040 0.000 1.141 443 D CA -0.139 53.874 54.000 0.023 0.000 0.875 443 D CB 0.401 41.212 40.800 0.018 0.000 1.192 443 D HN 0.544 nan 8.370 nan 0.000 0.450 444 Y N 2.251 122.534 120.300 -0.028 0.000 2.029 444 Y HA -0.372 4.177 4.550 -0.000 0.000 0.269 444 Y C 2.438 178.322 175.900 -0.026 0.000 1.201 444 Y CA 2.346 60.433 58.100 -0.023 0.000 1.115 444 Y CB -0.160 38.288 38.460 -0.019 0.000 0.945 444 Y HN 0.308 nan 8.280 nan 0.000 0.497 445 M N -0.137 119.532 119.600 0.116 0.000 2.108 445 M HA -0.283 4.197 4.480 -0.000 0.000 0.257 445 M C 2.163 178.414 176.300 -0.081 0.000 1.071 445 M CA 1.678 56.994 55.300 0.028 0.000 1.093 445 M CB -1.129 31.509 32.600 0.063 0.000 1.345 445 M HN 0.295 nan 8.290 nan 0.000 0.403 446 R N 0.243 120.693 120.500 -0.084 0.000 2.070 446 R HA -0.053 4.287 4.340 -0.000 0.000 0.233 446 R C 2.197 178.408 176.300 -0.148 0.000 1.137 446 R CA 1.449 57.485 56.100 -0.107 0.000 0.945 446 R CB -0.957 29.283 30.300 -0.099 0.000 0.845 446 R HN 0.444 nan 8.270 nan 0.000 0.430 447 I N 0.338 120.798 120.570 -0.183 0.000 2.179 447 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 447 I C 2.542 178.500 176.117 -0.265 0.000 1.088 447 I CA 1.295 62.465 61.300 -0.217 0.000 1.357 447 I CB -0.379 37.482 38.000 -0.232 0.000 1.051 447 I HN 0.053 nan 8.210 nan 0.000 0.409 448 R N 1.433 121.704 120.500 -0.381 0.000 2.159 448 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 448 R C 2.013 178.196 176.300 -0.196 0.000 1.131 448 R CA 1.755 57.647 56.100 -0.347 0.000 0.982 448 R CB -0.532 29.516 30.300 -0.420 0.000 0.868 448 R HN 0.232 nan 8.270 nan 0.000 0.453 449 S N 0.209 115.807 115.700 -0.169 0.000 2.470 449 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 449 S C 0.646 175.147 174.600 -0.165 0.000 1.006 449 S CA 0.740 58.853 58.200 -0.145 0.000 0.934 449 S CB 0.059 63.193 63.200 -0.111 0.000 0.778 449 S HN 0.345 nan 8.310 nan 0.000 0.517 450 D N 1.184 121.489 120.400 -0.158 0.000 2.352 450 D HA 0.115 4.754 4.640 -0.000 0.000 0.232 450 D C 0.986 177.169 176.300 -0.196 0.000 1.055 450 D CA 0.314 54.225 54.000 -0.148 0.000 0.891 450 D CB 0.003 40.734 40.800 -0.116 0.000 0.897 450 D HN 0.240 nan 8.370 nan 0.000 0.529 451 M N -0.054 119.414 119.600 -0.221 0.000 2.659 451 M HA 0.027 4.507 4.480 -0.000 0.000 0.243 451 M C 0.667 176.666 176.300 -0.502 0.000 1.111 451 M CA 0.360 55.522 55.300 -0.230 0.000 1.070 451 M CB -0.613 31.887 32.600 -0.168 0.000 1.525 451 M HN -0.120 nan 8.290 nan 0.000 0.517 452 S N -1.240 114.080 115.700 -0.634 0.000 2.840 452 S HA 0.859 5.328 4.470 -0.000 0.000 0.307 452 S C -0.453 173.760 174.600 -0.646 0.000 1.180 452 S CA -1.025 56.438 58.200 -1.229 0.000 0.846 452 S CB 2.563 65.058 63.200 -1.177 0.000 1.233 452 S HN 0.196 nan 8.310 nan 0.000 0.548 453 M N 0.938 120.260 119.600 -0.464 0.000 2.470 453 M HA 0.410 4.890 4.480 -0.000 0.000 0.285 453 M C -1.205 175.185 176.300 0.150 0.000 1.213 453 M CA -0.662 54.645 55.300 0.012 0.000 0.901 453 M CB 2.237 34.978 32.600 0.234 0.000 1.718 453 M HN 0.528 nan 8.290 nan 0.000 0.469 454 M N 1.946 121.612 119.600 0.110 0.000 2.248 454 M HA 0.354 4.834 4.480 -0.000 0.000 0.337 454 M C -0.353 176.052 176.300 0.175 0.000 1.121 454 M CA 0.902 56.275 55.300 0.121 0.000 1.155 454 M CB -0.096 32.556 32.600 0.087 0.000 1.514 454 M HN 0.632 nan 8.290 nan 0.000 0.452 455 R N 0.300 120.903 120.500 0.171 0.000 2.710 455 R HA 0.382 4.722 4.340 -0.000 0.000 0.270 455 R C -0.994 175.430 176.300 0.206 0.000 1.021 455 R CA -0.784 55.433 56.100 0.195 0.000 0.889 455 R CB 2.345 32.756 30.300 0.185 0.000 1.243 455 R HN 0.746 nan 8.270 nan 0.000 0.464 456 W N 0.000 121.325 121.300 0.041 0.000 2.388 456 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 456 W CA 0.000 57.362 57.345 0.029 0.000 1.226 456 W CB 0.000 29.473 29.460 0.021 0.000 1.126 456 W HN 0.000 nan 8.180 nan 0.000 0.535