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 1jnr_1_C DATA FIRST_RESID 2 DATA SEQUENCE VYYPKKYELY KADEVPTEVV ETDILIIGGG FSGCGAAYEA AYWAKLGGLK DATA SEQUENCE VTLVEKAAVE RSGAVAQGLS AINTYIDLTG RSERQNTLED YVRYVTLDMM DATA SEQUENCE GLAREDLVAD YARHVDGTVH LFEKWGLPIW KTPDGKYVRE GQWQIMIHGE DATA SEQUENCE SYKPIIAEAA KMAVGEENIY ERVFIFELLK DNNDPNAVAG AVGFSVREPK DATA SEQUENCE FYVFKAKAVI LATGGATLLF RPRSTGEAAG RTWYAIFDTG SGYYMGLKAG DATA SEQUENCE AMLTQFEHRF IPFRFKDGYG PVGAWFLFFK CKAKNAYGEE YIKTRAAELE DATA SEQUENCE KYKPYGAAQP IPTPLRNHQV MLEIMDGNQP IYMHTEEALA ELAGGDKKKL DATA SEQUENCE KHIYEEAFED FLDMTVSQAL LWACQNIDPQ EQPSEAAPAE PYIMGSHSGE DATA SEQUENCE AGFWVCGPED LMPEEYAKLF PLKYNRMTTV KGLFAIGDCA GANPHKFSSG DATA SEQUENCE SFTEGRIAAK AAVRFILEQK PNPEIDDAVV EELKKKAYAP MERFMQYKDL DATA SEQUENCE STADDVNPEY ILPWQGLVRL QKIMDEYAAG IATIYKTNEK MLQRALELLA DATA SEQUENCE FLKEDLEKLA ARDLHELMRA WELVHRVWTA EAHVRHMLFR KETRWPGYYY DATA SEQUENCE RTDYPELNDE EWKCFVCSKY DAEKDEWTFE KVPYVQVIEW SF 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.627 176.094 -0.778 0.000 1.182 2 V CA 0.000 61.565 62.300 -1.225 0.000 1.235 2 V CB 0.000 31.007 31.823 -1.359 0.000 1.184 3 Y N 4.227 123.914 120.300 -1.023 0.000 2.391 3 Y HA 0.830 5.380 4.550 0.000 0.000 0.341 3 Y C -1.518 174.088 175.900 -0.489 0.000 0.965 3 Y CA -1.822 55.996 58.100 -0.469 0.000 1.067 3 Y CB 2.309 40.735 38.460 -0.056 0.000 1.199 3 Y HN 0.756 nan 8.280 nan 0.000 0.450 4 Y N 7.324 127.294 120.300 -0.551 0.000 2.646 4 Y HA 0.368 4.918 4.550 0.000 0.000 0.334 4 Y C -2.136 173.369 175.900 -0.659 0.000 1.004 4 Y CA -2.344 55.480 58.100 -0.462 0.000 1.301 4 Y CB 0.714 39.037 38.460 -0.228 0.000 1.093 4 Y HN 0.481 nan 8.280 nan 0.000 0.530 5 P HA 0.031 nan 4.420 nan 0.000 0.268 5 P C 0.329 177.539 177.300 -0.149 0.000 1.205 5 P CA -0.134 62.706 63.100 -0.434 0.000 0.771 5 P CB 1.910 33.490 31.700 -0.201 0.000 0.858 6 K N 1.967 122.318 120.400 -0.083 0.000 2.057 6 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 6 K C 1.058 177.600 176.600 -0.096 0.000 1.050 6 K CA 1.389 57.637 56.287 -0.065 0.000 0.935 6 K CB 0.064 32.545 32.500 -0.031 0.000 0.715 6 K HN 0.524 nan 8.250 nan 0.000 0.439 7 K N -1.421 118.935 120.400 -0.073 0.000 2.579 7 K HA 0.082 4.402 4.320 -0.000 0.000 0.284 7 K C -1.213 175.389 176.600 0.004 0.000 0.990 7 K CA -0.671 55.530 56.287 -0.143 0.000 0.880 7 K CB 0.064 32.502 32.500 -0.104 0.000 1.488 7 K HN -0.013 nan 8.250 nan 0.000 0.425 8 Y N 0.294 120.608 120.300 0.023 0.000 2.379 8 Y HA 0.215 4.765 4.550 -0.000 0.000 0.337 8 Y C 0.631 176.525 175.900 -0.009 0.000 1.238 8 Y CA -0.384 57.725 58.100 0.016 0.000 1.405 8 Y CB 0.948 39.447 38.460 0.065 0.000 1.310 8 Y HN 0.631 nan 8.280 nan 0.000 0.569 9 E N 3.488 123.773 120.200 0.142 0.000 3.074 9 E HA 0.293 4.643 4.350 -0.000 0.000 0.287 9 E C -1.947 174.557 176.600 -0.162 0.000 1.194 9 E CA -0.156 56.241 56.400 -0.006 0.000 0.836 9 E CB 0.319 30.099 29.700 0.135 0.000 1.468 9 E HN 0.584 nan 8.360 nan 0.000 0.383 10 L N 2.967 124.000 121.223 -0.317 0.000 2.325 10 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 10 L C -0.926 175.599 176.870 -0.576 0.000 1.023 10 L CA -0.786 53.883 54.840 -0.284 0.000 0.811 10 L CB 0.990 42.997 42.059 -0.087 0.000 1.249 10 L HN 0.355 nan 8.230 nan 0.000 0.431 11 Y N 0.799 121.123 120.300 0.040 0.000 2.534 11 Y HA 0.432 4.982 4.550 0.000 0.000 0.345 11 Y C -0.410 175.441 175.900 -0.081 0.000 1.031 11 Y CA -1.066 57.005 58.100 -0.048 0.000 1.022 11 Y CB 2.009 40.387 38.460 -0.136 0.000 1.292 11 Y HN 0.375 nan 8.280 nan 0.000 0.459 12 K N 0.849 121.274 120.400 0.042 0.000 2.110 12 K HA 0.587 4.907 4.320 -0.000 0.000 0.263 12 K C 0.600 177.120 176.600 -0.134 0.000 0.975 12 K CA -0.116 56.164 56.287 -0.012 0.000 0.895 12 K CB 1.763 34.258 32.500 -0.008 0.000 1.060 12 K HN 0.881 nan 8.250 nan 0.000 0.448 13 A N 2.696 125.455 122.820 -0.102 0.000 1.892 13 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 13 A C 1.352 178.830 177.584 -0.176 0.000 1.188 13 A CA 1.903 53.836 52.037 -0.174 0.000 0.631 13 A CB -0.388 18.602 19.000 -0.017 0.000 0.822 13 A HN 0.815 nan 8.150 nan 0.000 0.447 14 D N -0.425 119.918 120.400 -0.095 0.000 2.265 14 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 14 D C 1.434 177.688 176.300 -0.076 0.000 0.977 14 D CA 1.259 55.216 54.000 -0.072 0.000 0.871 14 D CB -0.224 40.553 40.800 -0.039 0.000 0.925 14 D HN 0.712 nan 8.370 nan 0.000 0.485 15 E N -0.099 120.047 120.200 -0.090 0.000 2.474 15 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 15 E C -0.036 176.497 176.600 -0.112 0.000 1.039 15 E CA -0.114 56.246 56.400 -0.066 0.000 0.881 15 E CB 1.226 30.918 29.700 -0.013 0.000 0.970 15 E HN -0.027 nan 8.360 nan 0.000 0.486 16 V N 4.319 124.106 119.914 -0.210 0.000 2.432 16 V HA 0.176 4.296 4.120 -0.000 0.000 0.275 16 V C -1.988 174.028 176.094 -0.129 0.000 1.043 16 V CA -1.791 60.350 62.300 -0.266 0.000 0.925 16 V CB 0.954 32.448 31.823 -0.547 0.000 0.985 16 V HN 0.042 nan 8.190 nan 0.000 0.466 17 P HA 0.218 nan 4.420 nan 0.000 0.275 17 P C -0.389 176.909 177.300 -0.003 0.000 1.227 17 P CA -0.145 62.928 63.100 -0.046 0.000 0.781 17 P CB 0.885 32.550 31.700 -0.059 0.000 0.906 18 T N 2.110 116.673 114.554 0.015 0.000 2.829 18 T HA 0.282 4.632 4.350 -0.000 0.000 0.282 18 T C -0.216 174.415 174.700 -0.116 0.000 0.990 18 T CA -0.282 61.847 62.100 0.048 0.000 1.028 18 T CB 0.865 69.822 68.868 0.148 0.000 0.951 18 T HN 0.426 nan 8.240 nan 0.000 0.460 19 E N 2.666 122.687 120.200 -0.298 0.000 2.155 19 E HA 0.477 4.827 4.350 -0.000 0.000 0.264 19 E C -1.228 175.142 176.600 -0.384 0.000 0.886 19 E CA -0.636 55.536 56.400 -0.380 0.000 0.752 19 E CB 0.934 30.257 29.700 -0.628 0.000 1.133 19 E HN 0.301 nan 8.360 nan 0.000 0.414 20 V N 4.902 124.670 119.914 -0.243 0.000 2.407 20 V HA 0.285 4.405 4.120 -0.000 0.000 0.278 20 V C -0.258 175.696 176.094 -0.233 0.000 1.037 20 V CA -0.622 61.539 62.300 -0.233 0.000 0.900 20 V CB 1.461 33.209 31.823 -0.126 0.000 0.983 20 V HN 0.494 nan 8.190 nan 0.000 0.459 21 V N 4.993 124.708 119.914 -0.331 0.000 2.407 21 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 21 V C -0.075 175.958 176.094 -0.102 0.000 1.018 21 V CA -0.700 61.457 62.300 -0.239 0.000 0.842 21 V CB 1.640 33.182 31.823 -0.469 0.000 0.996 21 V HN 0.898 nan 8.190 nan 0.000 0.426 22 E N 2.358 122.540 120.200 -0.031 0.000 2.197 22 E HA 0.657 5.007 4.350 -0.000 0.000 0.281 22 E C -0.362 176.256 176.600 0.029 0.000 0.995 22 E CA -0.196 56.203 56.400 -0.002 0.000 0.808 22 E CB 2.246 31.940 29.700 -0.010 0.000 1.093 22 E HN 0.677 nan 8.360 nan 0.000 0.394 23 T N 0.929 115.503 114.554 0.034 0.000 2.762 23 T HA 0.140 4.490 4.350 -0.000 0.000 0.301 23 T C -0.503 174.202 174.700 0.009 0.000 1.299 23 T CA -0.560 61.559 62.100 0.032 0.000 1.005 23 T CB 1.494 70.396 68.868 0.056 0.000 1.377 23 T HN 0.336 nan 8.240 nan 0.000 0.504 24 D N 0.441 120.839 120.400 -0.003 0.000 2.369 24 D HA 0.275 4.915 4.640 -0.000 0.000 0.231 24 D C 0.370 176.662 176.300 -0.014 0.000 0.967 24 D CA 0.753 54.743 54.000 -0.017 0.000 0.905 24 D CB 0.589 41.370 40.800 -0.031 0.000 1.044 24 D HN 0.435 nan 8.370 nan 0.000 0.487 25 I N 1.827 122.382 120.570 -0.026 0.000 2.389 25 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 25 I C -1.005 175.073 176.117 -0.066 0.000 0.999 25 I CA -0.820 60.452 61.300 -0.046 0.000 1.129 25 I CB 2.416 40.373 38.000 -0.072 0.000 1.288 25 I HN -0.151 nan 8.210 nan 0.000 0.444 26 L N 8.639 129.809 121.223 -0.089 0.000 2.287 26 L HA 0.594 4.934 4.340 -0.000 0.000 0.287 26 L C -0.842 175.918 176.870 -0.184 0.000 1.022 26 L CA -0.037 54.707 54.840 -0.160 0.000 0.814 26 L CB 1.096 43.036 42.059 -0.200 0.000 1.217 26 L HN 0.402 nan 8.230 nan 0.000 0.420 27 I N 6.520 126.969 120.570 -0.202 0.000 2.330 27 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 27 I C -0.448 175.527 176.117 -0.237 0.000 1.001 27 I CA -0.325 60.862 61.300 -0.188 0.000 1.193 27 I CB 1.341 39.249 38.000 -0.153 0.000 1.345 27 I HN 0.496 nan 8.210 nan 0.000 0.461 28 I N 6.376 126.807 120.570 -0.233 0.000 2.291 28 I HA 0.547 4.717 4.170 -0.000 0.000 0.290 28 I C 0.494 176.492 176.117 -0.199 0.000 1.050 28 I CA -0.186 60.954 61.300 -0.267 0.000 1.245 28 I CB 0.792 38.621 38.000 -0.284 0.000 1.405 28 I HN 0.825 nan 8.210 nan 0.000 0.478 29 G N 3.606 112.293 108.800 -0.188 0.000 3.363 29 G HA2 0.026 3.986 3.960 -0.000 0.000 0.685 29 G HA3 0.026 3.986 3.960 -0.000 0.000 0.685 29 G C -0.068 174.768 174.900 -0.107 0.000 1.199 29 G CA -0.552 44.469 45.100 -0.131 0.000 0.946 29 G HN 0.905 nan 8.290 nan 0.000 0.558 30 G N 0.744 109.488 108.800 -0.093 0.000 4.125 30 G HA2 0.663 4.623 3.960 -0.000 0.000 0.301 30 G HA3 0.663 4.623 3.960 -0.000 0.000 0.301 30 G C 0.884 175.747 174.900 -0.061 0.000 1.273 30 G CA 0.906 45.955 45.100 -0.084 0.000 1.095 30 G HN 1.220 nan 8.290 nan 0.000 0.582 31 G N -0.190 108.595 108.800 -0.025 0.000 2.630 31 G HA2 0.388 4.348 3.960 -0.000 0.000 0.223 31 G HA3 0.388 4.348 3.960 -0.000 0.000 0.223 31 G C 0.598 175.543 174.900 0.075 0.000 1.434 31 G CA -0.584 44.543 45.100 0.045 0.000 1.057 31 G HN 0.049 nan 8.290 nan 0.000 0.570 32 F N 0.906 120.853 119.950 -0.004 0.000 2.146 32 F HA -0.084 4.443 4.527 0.000 0.000 0.298 32 F C 3.245 179.107 175.800 0.104 0.000 1.096 32 F CA 2.042 60.090 58.000 0.080 0.000 1.275 32 F CB -0.193 38.841 39.000 0.058 0.000 1.008 32 F HN 0.342 nan 8.300 nan 0.000 0.480 33 S N -0.681 115.129 115.700 0.184 0.000 2.371 33 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 33 S C 2.428 176.978 174.600 -0.083 0.000 1.029 33 S CA 0.984 59.213 58.200 0.048 0.000 0.978 33 S CB -1.374 61.857 63.200 0.052 0.000 0.833 33 S HN 0.323 nan 8.310 nan 0.000 0.466 34 G N 0.528 109.289 108.800 -0.065 0.000 2.418 34 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 34 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 34 G C 1.543 176.350 174.900 -0.155 0.000 1.158 34 G CA 1.011 46.045 45.100 -0.109 0.000 0.771 34 G HN 0.621 nan 8.290 nan 0.000 0.545 35 C N 0.745 119.948 119.300 -0.161 0.000 2.435 35 C HA 0.129 4.589 4.460 -0.000 0.000 0.279 35 C C 3.196 177.951 174.990 -0.392 0.000 1.321 35 C CA 0.569 59.486 59.018 -0.168 0.000 1.752 35 C CB -1.009 26.671 27.740 -0.099 0.000 1.959 35 C HN 0.509 nan 8.230 nan 0.000 0.500 36 G N 0.298 108.585 108.800 -0.855 0.000 2.408 36 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.217 36 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.217 36 G C 1.858 176.435 174.900 -0.538 0.000 1.150 36 G CA 0.975 45.130 45.100 -1.576 0.000 0.776 36 G HN 0.590 nan 8.290 nan 0.000 0.542 37 A N 1.168 123.797 122.820 -0.318 0.000 1.898 37 A HA 0.333 4.653 4.320 -0.000 0.000 0.216 37 A C 2.806 180.320 177.584 -0.116 0.000 1.181 37 A CA 2.111 54.040 52.037 -0.180 0.000 0.620 37 A CB -0.758 18.141 19.000 -0.167 0.000 0.819 37 A HN 0.713 nan 8.150 nan 0.000 0.442 38 A N -1.326 121.429 122.820 -0.108 0.000 1.902 38 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 38 A C 2.138 179.721 177.584 -0.001 0.000 1.181 38 A CA 1.690 53.693 52.037 -0.056 0.000 0.623 38 A CB -0.867 18.101 19.000 -0.053 0.000 0.818 38 A HN 0.742 nan 8.150 nan 0.000 0.443 39 Y N 0.609 120.853 120.300 -0.095 0.000 2.070 39 Y HA -0.237 4.313 4.550 0.000 0.000 0.280 39 Y C 2.369 178.298 175.900 0.049 0.000 1.148 39 Y CA 2.560 60.660 58.100 -0.001 0.000 1.125 39 Y CB -0.415 38.107 38.460 0.103 0.000 0.975 39 Y HN 0.390 nan 8.280 nan 0.000 0.492 40 E N 0.229 120.439 120.200 0.016 0.000 2.106 40 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 40 E C 2.210 178.886 176.600 0.127 0.000 0.984 40 E CA 1.285 57.706 56.400 0.034 0.000 0.806 40 E CB -0.515 29.290 29.700 0.174 0.000 0.750 40 E HN 0.523 nan 8.360 nan 0.000 0.458 41 A N 0.794 123.649 122.820 0.059 0.000 1.902 41 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 41 A C 2.423 180.032 177.584 0.040 0.000 1.181 41 A CA 1.904 53.979 52.037 0.063 0.000 0.623 41 A CB -0.993 17.992 19.000 -0.025 0.000 0.818 41 A HN 0.375 nan 8.150 nan 0.000 0.443 42 A N -1.673 121.131 122.820 -0.028 0.000 2.024 42 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 42 A C 2.085 179.619 177.584 -0.084 0.000 1.164 42 A CA 1.694 53.695 52.037 -0.060 0.000 0.643 42 A CB -0.690 18.259 19.000 -0.084 0.000 0.806 42 A HN 0.752 nan 8.150 nan 0.000 0.451 43 Y N -1.264 118.878 120.300 -0.262 0.000 2.153 43 Y HA -0.159 4.391 4.550 0.000 0.000 0.289 43 Y C 1.986 177.655 175.900 -0.385 0.000 1.127 43 Y CA 1.810 59.666 58.100 -0.407 0.000 1.131 43 Y CB -0.464 37.618 38.460 -0.631 0.000 0.995 43 Y HN 0.417 nan 8.280 nan 0.000 0.505 44 W N -0.191 121.068 121.300 -0.067 0.000 2.518 44 W HA 0.105 4.765 4.660 -0.000 0.000 0.273 44 W C 2.590 179.025 176.519 -0.139 0.000 1.247 44 W CA 1.060 58.325 57.345 -0.134 0.000 1.288 44 W CB -0.729 28.728 29.460 -0.005 0.000 1.107 44 W HN 0.115 nan 8.180 nan 0.000 0.586 45 A N 1.306 124.173 122.820 0.079 0.000 1.997 45 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 45 A C 1.858 179.423 177.584 -0.032 0.000 1.172 45 A CA 1.996 54.042 52.037 0.015 0.000 0.645 45 A CB -0.694 18.300 19.000 -0.010 0.000 0.813 45 A HN 0.372 nan 8.150 nan 0.000 0.454 46 K N -0.323 120.024 120.400 -0.089 0.000 2.218 46 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 46 K C 1.591 178.144 176.600 -0.078 0.000 1.046 46 K CA 1.302 57.524 56.287 -0.108 0.000 0.933 46 K CB -0.445 31.944 32.500 -0.185 0.000 0.728 46 K HN 0.527 nan 8.250 nan 0.000 0.454 47 L N -0.400 120.792 121.223 -0.051 0.000 2.265 47 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 47 L C 1.845 178.705 176.870 -0.016 0.000 1.117 47 L CA 1.162 55.992 54.840 -0.017 0.000 0.782 47 L CB -0.185 41.901 42.059 0.045 0.000 0.914 47 L HN 0.335 nan 8.230 nan 0.000 0.441 48 G N -2.213 106.574 108.800 -0.021 0.000 3.829 48 G HA2 0.330 4.290 3.960 -0.000 0.000 0.279 48 G HA3 0.330 4.290 3.960 -0.000 0.000 0.279 48 G C 0.972 175.853 174.900 -0.032 0.000 1.008 48 G CA 0.263 45.347 45.100 -0.028 0.000 0.840 48 G HN 0.295 nan 8.290 nan 0.000 0.474 49 G N 0.748 109.527 108.800 -0.035 0.000 2.283 49 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.280 49 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.280 49 G C 0.436 175.318 174.900 -0.031 0.000 1.029 49 G CA 0.428 45.507 45.100 -0.034 0.000 0.840 49 G HN 0.560 nan 8.290 nan 0.000 0.505 50 L N -0.757 120.447 121.223 -0.031 0.000 2.439 50 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 50 L C 0.979 177.836 176.870 -0.022 0.000 1.179 50 L CA -0.258 54.565 54.840 -0.029 0.000 0.828 50 L CB 0.874 42.915 42.059 -0.030 0.000 1.106 50 L HN 0.212 nan 8.230 nan 0.000 0.467 51 K N 1.809 122.200 120.400 -0.016 0.000 2.183 51 K HA 0.524 4.844 4.320 -0.000 0.000 0.274 51 K C -1.313 175.284 176.600 -0.004 0.000 1.009 51 K CA -0.549 55.736 56.287 -0.003 0.000 0.888 51 K CB 1.474 33.981 32.500 0.011 0.000 1.078 51 K HN 0.353 nan 8.250 nan 0.000 0.459 52 V N 3.437 123.349 119.914 -0.003 0.000 2.495 52 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 52 V C -0.583 175.516 176.094 0.009 0.000 1.031 52 V CA -0.691 61.601 62.300 -0.014 0.000 0.871 52 V CB 1.851 33.657 31.823 -0.027 0.000 0.988 52 V HN 0.870 nan 8.190 nan 0.000 0.432 53 T N 5.880 120.433 114.554 -0.002 0.000 2.848 53 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 53 T C -0.918 173.752 174.700 -0.051 0.000 0.995 53 T CA -0.330 61.790 62.100 0.033 0.000 0.970 53 T CB 1.561 70.471 68.868 0.071 0.000 0.976 53 T HN 0.420 nan 8.240 nan 0.000 0.441 54 L N 4.554 125.769 121.223 -0.013 0.000 2.305 54 L HA 0.817 5.157 4.340 -0.000 0.000 0.284 54 L C -0.827 175.997 176.870 -0.077 0.000 1.013 54 L CA -0.699 54.093 54.840 -0.080 0.000 0.819 54 L CB 1.387 43.409 42.059 -0.062 0.000 1.227 54 L HN 0.488 nan 8.230 nan 0.000 0.417 55 V N 4.960 124.743 119.914 -0.219 0.000 2.495 55 V HA 0.783 4.903 4.120 -0.000 0.000 0.298 55 V C -1.067 174.900 176.094 -0.213 0.000 1.031 55 V CA -0.224 61.923 62.300 -0.256 0.000 0.871 55 V CB 1.805 33.267 31.823 -0.602 0.000 0.988 55 V HN 0.954 nan 8.190 nan 0.000 0.432 56 E N 4.530 124.643 120.200 -0.145 0.000 2.272 56 E HA 0.406 4.756 4.350 -0.000 0.000 0.269 56 E C 0.469 177.011 176.600 -0.097 0.000 0.877 56 E CA -0.437 55.890 56.400 -0.122 0.000 0.755 56 E CB 2.041 31.687 29.700 -0.090 0.000 1.192 56 E HN 0.704 nan 8.360 nan 0.000 0.422 57 K N 2.390 122.745 120.400 -0.076 0.000 2.217 57 K HA 0.199 4.519 4.320 -0.000 0.000 0.202 57 K C 0.720 177.329 176.600 0.015 0.000 1.051 57 K CA 1.029 57.317 56.287 0.003 0.000 0.952 57 K CB 0.206 32.784 32.500 0.130 0.000 0.736 57 K HN 0.297 nan 8.250 nan 0.000 0.453 58 A N 1.456 124.260 122.820 -0.027 0.000 3.792 58 A HA 0.749 5.069 4.320 -0.000 0.000 0.176 58 A C -0.745 176.804 177.584 -0.059 0.000 1.354 58 A CA -0.305 51.703 52.037 -0.048 0.000 1.480 58 A CB 0.180 19.112 19.000 -0.113 0.000 1.585 58 A HN 0.286 nan 8.150 nan 0.000 0.640 59 A N -0.768 122.000 122.820 -0.086 0.000 2.319 59 A HA 0.553 4.873 4.320 -0.000 0.000 0.310 59 A C 0.649 178.179 177.584 -0.091 0.000 1.152 59 A CA -0.311 51.681 52.037 -0.076 0.000 0.783 59 A CB 0.941 19.902 19.000 -0.066 0.000 1.184 59 A HN 0.947 nan 8.150 nan 0.000 0.474 60 V N 2.238 122.103 119.914 -0.081 0.000 2.439 60 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 60 V C 2.418 178.461 176.094 -0.086 0.000 1.074 60 V CA 2.556 64.805 62.300 -0.085 0.000 1.076 60 V CB -0.843 30.931 31.823 -0.083 0.000 0.664 60 V HN 1.082 nan 8.190 nan 0.000 0.461 61 E N -0.060 120.093 120.200 -0.078 0.000 2.130 61 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 61 E C 1.885 178.446 176.600 -0.064 0.000 0.998 61 E CA 1.233 57.592 56.400 -0.068 0.000 0.806 61 E CB 0.126 29.792 29.700 -0.057 0.000 0.738 61 E HN 0.419 nan 8.360 nan 0.000 0.459 62 R N 0.058 120.508 120.500 -0.084 0.000 2.538 62 R HA 0.113 4.453 4.340 -0.000 0.000 0.372 62 R C 0.025 176.230 176.300 -0.157 0.000 0.950 62 R CA 0.380 56.424 56.100 -0.093 0.000 1.168 62 R CB 0.933 31.175 30.300 -0.096 0.000 1.542 62 R HN 0.071 nan 8.270 nan 0.000 0.536 63 S N -0.025 115.577 115.700 -0.162 0.000 2.572 63 S HA 0.527 4.997 4.470 -0.000 0.000 0.279 63 S C 0.845 175.363 174.600 -0.137 0.000 1.341 63 S CA 0.463 58.529 58.200 -0.223 0.000 1.043 63 S CB 1.494 64.599 63.200 -0.158 0.000 0.887 63 S HN 0.519 nan 8.310 nan 0.000 0.516 64 G N 1.321 110.033 108.800 -0.146 0.000 2.698 64 G HA2 0.196 4.156 3.960 -0.000 0.000 0.225 64 G HA3 0.196 4.156 3.960 -0.000 0.000 0.225 64 G C 0.678 175.669 174.900 0.151 0.000 1.345 64 G CA -0.060 45.081 45.100 0.068 0.000 0.871 64 G HN 1.807 nan 8.290 nan 0.000 0.540 65 A N -1.252 121.559 122.820 -0.016 0.000 2.076 65 A HA 0.207 4.527 4.320 -0.000 0.000 0.220 65 A C 2.183 179.678 177.584 -0.149 0.000 1.160 65 A CA 2.903 54.809 52.037 -0.219 0.000 0.653 65 A CB -0.261 18.467 19.000 -0.453 0.000 0.801 65 A HN 1.658 nan 8.150 nan 0.000 0.455 66 V N -0.443 119.423 119.914 -0.080 0.000 3.331 66 V HA 0.188 4.308 4.120 -0.000 0.000 0.332 66 V C 2.201 178.305 176.094 0.017 0.000 1.341 66 V CA 0.412 62.670 62.300 -0.071 0.000 1.218 66 V CB -0.799 30.923 31.823 -0.169 0.000 1.152 66 V HN 0.567 nan 8.190 nan 0.000 0.445 67 A N 0.523 123.364 122.820 0.035 0.000 1.940 67 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 67 A C 2.136 179.743 177.584 0.038 0.000 1.176 67 A CA 1.847 53.898 52.037 0.024 0.000 0.631 67 A CB -0.202 18.825 19.000 0.045 0.000 0.814 67 A HN 0.631 nan 8.150 nan 0.000 0.446 68 Q N -1.484 118.343 119.800 0.045 0.000 2.424 68 Q HA 0.374 4.714 4.340 -0.000 0.000 0.204 68 Q C 0.948 176.982 176.000 0.057 0.000 0.933 68 Q CA 0.288 56.116 55.803 0.042 0.000 0.929 68 Q CB 0.186 28.939 28.738 0.025 0.000 1.037 68 Q HN 0.816 nan 8.270 nan 0.000 0.511 69 G N 0.557 109.399 108.800 0.069 0.000 2.483 69 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.521 69 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.521 69 G C -1.474 173.489 174.900 0.105 0.000 1.278 69 G CA -0.998 44.175 45.100 0.121 0.000 0.965 69 G HN 0.085 nan 8.290 nan 0.000 0.504 70 L N -0.811 120.495 121.223 0.139 0.000 2.424 70 L HA 0.608 4.948 4.340 -0.000 0.000 0.258 70 L C 1.044 177.915 176.870 0.003 0.000 0.995 70 L CA -0.770 54.119 54.840 0.082 0.000 0.821 70 L CB 2.319 44.460 42.059 0.138 0.000 1.383 70 L HN 0.608 nan 8.230 nan 0.000 0.410 71 S N 0.503 116.186 115.700 -0.028 0.000 2.548 71 S HA 0.464 4.934 4.470 -0.000 0.000 0.215 71 S C 0.163 174.589 174.600 -0.290 0.000 0.976 71 S CA 0.264 58.400 58.200 -0.106 0.000 0.908 71 S CB 0.462 63.628 63.200 -0.058 0.000 0.781 71 S HN 0.647 nan 8.310 nan 0.000 0.519 72 A N 0.665 123.337 122.820 -0.246 0.000 2.610 72 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 72 A C -1.599 175.855 177.584 -0.216 0.000 1.086 72 A CA -0.696 51.148 52.037 -0.322 0.000 0.677 72 A CB 0.776 19.583 19.000 -0.322 0.000 1.278 72 A HN 0.219 nan 8.150 nan 0.000 0.414 73 I N 2.069 122.510 120.570 -0.215 0.000 2.328 73 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 73 I C 0.248 176.326 176.117 -0.066 0.000 1.012 73 I CA -0.628 60.627 61.300 -0.075 0.000 1.195 73 I CB 1.504 39.461 38.000 -0.072 0.000 1.350 73 I HN 0.656 nan 8.210 nan 0.000 0.464 74 N N 3.412 122.051 118.700 -0.101 0.000 2.515 74 N HA 0.001 4.741 4.740 -0.000 0.000 0.185 74 N C -0.156 175.357 175.510 0.004 0.000 1.109 74 N CA 0.606 53.489 53.050 -0.279 0.000 0.903 74 N CB 0.254 38.056 38.487 -1.142 0.000 0.969 74 N HN 0.478 nan 8.380 nan 0.000 0.450 75 T N 0.390 115.056 114.554 0.187 0.000 2.985 75 T HA 0.224 4.574 4.350 -0.000 0.000 0.315 75 T C -1.624 173.219 174.700 0.238 0.000 1.001 75 T CA -0.409 61.853 62.100 0.270 0.000 1.016 75 T CB 0.981 70.066 68.868 0.361 0.000 0.993 75 T HN 0.030 nan 8.240 nan 0.000 0.454 76 Y N 5.056 125.404 120.300 0.079 0.000 2.307 76 Y HA 0.369 4.919 4.550 -0.000 0.000 0.323 76 Y C 0.001 175.959 175.900 0.096 0.000 1.100 76 Y CA -1.464 56.658 58.100 0.036 0.000 1.140 76 Y CB 0.479 38.954 38.460 0.026 0.000 1.159 76 Y HN 0.425 nan 8.280 nan 0.000 0.436 77 I N 2.123 122.450 120.570 -0.406 0.000 2.193 77 I HA -0.077 4.093 4.170 -0.000 0.000 0.240 77 I C 0.333 176.235 176.117 -0.360 0.000 1.084 77 I CA 1.482 62.648 61.300 -0.223 0.000 1.365 77 I CB -0.674 37.194 38.000 -0.220 0.000 1.064 77 I HN 0.826 nan 8.210 nan 0.000 0.410 78 D N 0.590 120.535 120.400 -0.758 0.000 4.248 78 D HA -0.158 4.482 4.640 -0.000 0.000 0.248 78 D C 0.419 176.613 176.300 -0.177 0.000 1.056 78 D CA 0.203 53.911 54.000 -0.486 0.000 1.191 78 D CB -0.943 39.753 40.800 -0.173 0.000 0.870 78 D HN 0.226 nan 8.370 nan 0.000 0.410 79 L N 1.927 123.076 121.223 -0.123 0.000 2.592 79 L HA 0.136 4.476 4.340 -0.000 0.000 0.227 79 L C 2.227 179.089 176.870 -0.014 0.000 1.127 79 L CA 1.074 55.883 54.840 -0.051 0.000 0.884 79 L CB 0.012 42.045 42.059 -0.042 0.000 1.065 79 L HN 0.558 nan 8.230 nan 0.000 0.457 80 T N -5.573 108.984 114.554 0.006 0.000 2.986 80 T HA 0.307 4.657 4.350 -0.000 0.000 0.264 80 T C 1.167 175.865 174.700 -0.004 0.000 0.964 80 T CA 0.466 62.571 62.100 0.008 0.000 0.895 80 T CB 1.092 69.972 68.868 0.020 0.000 1.163 80 T HN 0.220 nan 8.240 nan 0.000 0.517 81 G N 1.901 110.703 108.800 0.004 0.000 2.173 81 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.174 81 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.174 81 G C 0.705 175.581 174.900 -0.039 0.000 1.025 81 G CA 0.034 45.127 45.100 -0.011 0.000 0.706 81 G HN 0.477 nan 8.290 nan 0.000 0.499 82 R N 0.052 120.536 120.500 -0.027 0.000 2.240 82 R HA 0.167 4.507 4.340 -0.000 0.000 0.203 82 R C 1.764 177.872 176.300 -0.321 0.000 1.011 82 R CA 1.158 57.113 56.100 -0.241 0.000 1.007 82 R CB 0.091 30.195 30.300 -0.326 0.000 0.911 82 R HN 0.656 nan 8.270 nan 0.000 0.468 83 S N -0.704 115.004 115.700 0.013 0.000 2.786 83 S HA 0.195 4.665 4.470 -0.000 0.000 0.307 83 S C 0.729 175.363 174.600 0.056 0.000 1.121 83 S CA -0.893 57.375 58.200 0.113 0.000 0.975 83 S CB 1.880 65.288 63.200 0.346 0.000 1.220 83 S HN 0.020 nan 8.310 nan 0.000 0.550 84 E N -0.111 120.130 120.200 0.067 0.000 2.338 84 E HA 0.020 4.370 4.350 -0.000 0.000 0.197 84 E C 0.614 177.214 176.600 0.001 0.000 1.007 84 E CA 0.531 56.949 56.400 0.030 0.000 0.849 84 E CB 0.080 29.805 29.700 0.041 0.000 0.774 84 E HN 0.436 nan 8.360 nan 0.000 0.506 85 R N 0.964 121.463 120.500 -0.002 0.000 2.512 85 R HA 0.148 4.488 4.340 -0.000 0.000 0.291 85 R C -1.155 175.105 176.300 -0.067 0.000 1.097 85 R CA -0.302 55.764 56.100 -0.057 0.000 0.940 85 R CB 1.138 31.369 30.300 -0.116 0.000 1.198 85 R HN -0.072 nan 8.270 nan 0.000 0.429 86 Q N 2.194 121.953 119.800 -0.068 0.000 2.306 86 Q HA 0.369 4.709 4.340 -0.000 0.000 0.241 86 Q C -0.492 175.442 176.000 -0.110 0.000 0.948 86 Q CA -0.487 55.274 55.803 -0.070 0.000 0.886 86 Q CB 1.376 30.087 28.738 -0.044 0.000 1.227 86 Q HN 0.529 nan 8.270 nan 0.000 0.457 87 N N -0.115 118.534 118.700 -0.085 0.000 2.647 87 N HA 0.384 5.124 4.740 -0.000 0.000 0.266 87 N C -1.172 174.369 175.510 0.053 0.000 1.373 87 N CA -0.396 52.629 53.050 -0.043 0.000 0.807 87 N CB 2.101 40.554 38.487 -0.057 0.000 1.513 87 N HN 0.626 nan 8.380 nan 0.000 0.505 88 T N -2.181 112.449 114.554 0.127 0.000 2.940 88 T HA 0.489 4.839 4.350 -0.000 0.000 0.288 88 T C 1.493 176.296 174.700 0.171 0.000 1.033 88 T CA -0.733 61.434 62.100 0.113 0.000 1.033 88 T CB 0.948 69.872 68.868 0.092 0.000 1.079 88 T HN 0.326 nan 8.240 nan 0.000 0.496 89 L N 0.263 121.546 121.223 0.101 0.000 2.093 89 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 89 L C 2.692 179.635 176.870 0.122 0.000 1.085 89 L CA 1.290 56.185 54.840 0.092 0.000 0.755 89 L CB -0.562 41.514 42.059 0.029 0.000 0.904 89 L HN 0.700 nan 8.230 nan 0.000 0.435 90 E N -0.006 120.266 120.200 0.121 0.000 2.077 90 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 90 E C 1.728 178.392 176.600 0.108 0.000 0.989 90 E CA 1.303 57.787 56.400 0.139 0.000 0.800 90 E CB -0.202 29.597 29.700 0.165 0.000 0.746 90 E HN 0.350 nan 8.360 nan 0.000 0.452 91 D N -0.943 119.551 120.400 0.156 0.000 2.144 91 D HA -0.194 4.446 4.640 -0.000 0.000 0.200 91 D C 1.678 178.088 176.300 0.183 0.000 0.978 91 D CA 0.781 54.891 54.000 0.184 0.000 0.833 91 D CB -0.109 40.853 40.800 0.269 0.000 0.961 91 D HN 0.192 nan 8.370 nan 0.000 0.470 92 Y N 0.396 120.706 120.300 0.016 0.000 2.163 92 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 92 Y C 2.174 177.904 175.900 -0.283 0.000 1.136 92 Y CA 1.228 59.086 58.100 -0.404 0.000 1.147 92 Y CB -0.491 37.654 38.460 -0.525 0.000 0.987 92 Y HN -0.106 nan 8.280 nan 0.000 0.509 93 V N 1.059 120.842 119.914 -0.218 0.000 2.287 93 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 93 V C 2.542 178.343 176.094 -0.489 0.000 1.053 93 V CA 2.344 64.475 62.300 -0.281 0.000 1.027 93 V CB -0.816 30.979 31.823 -0.047 0.000 0.646 93 V HN 0.372 nan 8.190 nan 0.000 0.447 94 R N -0.712 119.375 120.500 -0.688 0.000 2.083 94 R HA -0.256 4.084 4.340 -0.000 0.000 0.237 94 R C 2.430 178.323 176.300 -0.679 0.000 1.137 94 R CA 2.329 57.686 56.100 -1.237 0.000 0.951 94 R CB -0.613 29.086 30.300 -1.001 0.000 0.851 94 R HN 0.601 nan 8.270 nan 0.000 0.434 95 Y N 0.883 120.867 120.300 -0.527 0.000 2.128 95 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 95 Y C 1.914 177.511 175.900 -0.504 0.000 1.154 95 Y CA 1.915 59.770 58.100 -0.408 0.000 1.149 95 Y CB -0.471 37.777 38.460 -0.352 0.000 0.976 95 Y HN -0.093 nan 8.280 nan 0.000 0.505 96 V N -0.375 119.003 119.914 -0.893 0.000 2.358 96 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 96 V C 2.316 178.146 176.094 -0.439 0.000 1.047 96 V CA 2.356 64.142 62.300 -0.858 0.000 1.035 96 V CB -1.168 30.255 31.823 -0.666 0.000 0.658 96 V HN 0.483 nan 8.190 nan 0.000 0.452 97 T N 0.531 114.902 114.554 -0.306 0.000 2.746 97 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 97 T C 1.879 176.531 174.700 -0.080 0.000 1.039 97 T CA 1.500 63.546 62.100 -0.090 0.000 1.142 97 T CB -0.280 68.637 68.868 0.082 0.000 0.866 97 T HN 0.292 nan 8.240 nan 0.000 0.444 98 L N 0.654 121.788 121.223 -0.150 0.000 2.093 98 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 98 L C 2.493 179.346 176.870 -0.028 0.000 1.085 98 L CA 1.307 56.160 54.840 0.022 0.000 0.755 98 L CB -0.494 41.591 42.059 0.043 0.000 0.904 98 L HN 0.241 nan 8.230 nan 0.000 0.435 99 D N -0.188 120.091 120.400 -0.201 0.000 2.178 99 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 99 D C 1.992 178.285 176.300 -0.012 0.000 0.980 99 D CA 0.967 54.877 54.000 -0.150 0.000 0.842 99 D CB 0.174 40.771 40.800 -0.338 0.000 0.948 99 D HN 0.045 nan 8.370 nan 0.000 0.472 100 M N 0.022 119.611 119.600 -0.018 0.000 2.633 100 M HA 0.093 4.573 4.480 -0.000 0.000 0.226 100 M C 0.262 176.642 176.300 0.134 0.000 1.137 100 M CA 0.271 55.627 55.300 0.093 0.000 1.020 100 M CB -0.307 32.312 32.600 0.032 0.000 1.675 100 M HN 0.148 nan 8.290 nan 0.000 0.500 101 M N 0.136 119.664 119.600 -0.120 0.000 2.461 101 M HA -0.227 4.253 4.480 -0.000 0.000 0.203 101 M C 0.972 176.852 176.300 -0.700 0.000 0.428 101 M CA 1.053 55.956 55.300 -0.662 0.000 0.509 101 M CB -3.049 29.089 32.600 -0.770 0.000 1.851 101 M HN 0.648 nan 8.290 nan 0.000 0.834 102 G N -0.664 108.028 108.800 -0.179 0.000 2.194 102 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.236 102 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.236 102 G C 0.062 174.738 174.900 -0.374 0.000 0.987 102 G CA 0.170 45.203 45.100 -0.111 0.000 0.635 102 G HN 0.490 nan 8.290 nan 0.000 0.520 103 L N 0.953 122.072 121.223 -0.174 0.000 2.337 103 L HA 0.763 5.103 4.340 -0.000 0.000 0.269 103 L C 0.256 177.264 176.870 0.229 0.000 1.018 103 L CA -0.102 54.670 54.840 -0.113 0.000 0.876 103 L CB 1.354 43.366 42.059 -0.079 0.000 1.236 103 L HN 0.466 nan 8.230 nan 0.000 0.436 104 A N 2.737 125.841 122.820 0.474 0.000 2.520 104 A HA 0.679 4.999 4.320 -0.000 0.000 0.298 104 A C -0.771 177.241 177.584 0.713 0.000 1.051 104 A CA -0.798 51.564 52.037 0.542 0.000 0.690 104 A CB 1.814 20.972 19.000 0.263 0.000 1.281 104 A HN 0.480 nan 8.150 nan 0.000 0.402 105 R N 1.846 122.556 120.500 0.349 0.000 2.441 105 R HA 0.111 4.451 4.340 -0.000 0.000 0.300 105 R C 0.321 176.736 176.300 0.192 0.000 1.284 105 R CA 0.098 56.251 56.100 0.089 0.000 1.069 105 R CB 0.084 30.189 30.300 -0.326 0.000 1.087 105 R HN 0.898 nan 8.270 nan 0.000 0.519 106 E N 1.074 121.471 120.200 0.328 0.000 2.265 106 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 106 E C 1.094 177.782 176.600 0.147 0.000 0.996 106 E CA 1.308 57.854 56.400 0.243 0.000 0.832 106 E CB 0.270 30.166 29.700 0.328 0.000 0.756 106 E HN 0.583 nan 8.360 nan 0.000 0.491 107 D N 1.152 121.646 120.400 0.157 0.000 2.117 107 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 107 D C 2.028 178.352 176.300 0.040 0.000 0.982 107 D CA 0.849 54.903 54.000 0.090 0.000 0.828 107 D CB -0.456 40.407 40.800 0.105 0.000 0.967 107 D HN 0.254 nan 8.370 nan 0.000 0.464 108 L N 0.422 121.661 121.223 0.027 0.000 2.072 108 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 108 L C 2.849 179.758 176.870 0.064 0.000 1.079 108 L CA 0.483 55.347 54.840 0.041 0.000 0.752 108 L CB -0.282 41.785 42.059 0.014 0.000 0.906 108 L HN -0.069 nan 8.230 nan 0.000 0.436 109 V N 0.314 120.230 119.914 0.003 0.000 2.307 109 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 109 V C 2.796 178.633 176.094 -0.429 0.000 1.045 109 V CA 1.838 63.988 62.300 -0.251 0.000 1.024 109 V CB -0.902 30.855 31.823 -0.110 0.000 0.651 109 V HN 0.458 nan 8.190 nan 0.000 0.449 110 A N -0.072 122.656 122.820 -0.153 0.000 1.940 110 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 110 A C 2.018 179.535 177.584 -0.112 0.000 1.176 110 A CA 2.215 54.189 52.037 -0.105 0.000 0.631 110 A CB -0.677 18.317 19.000 -0.010 0.000 0.814 110 A HN 0.597 nan 8.150 nan 0.000 0.446 111 D N -1.180 119.189 120.400 -0.051 0.000 2.097 111 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 111 D C 1.844 178.244 176.300 0.168 0.000 0.989 111 D CA 1.915 55.949 54.000 0.056 0.000 0.827 111 D CB -0.336 40.525 40.800 0.103 0.000 0.966 111 D HN 0.663 nan 8.370 nan 0.000 0.456 112 Y N -0.272 120.120 120.300 0.154 0.000 2.314 112 Y HA 0.252 4.802 4.550 -0.000 0.000 0.293 112 Y C 1.992 177.964 175.900 0.120 0.000 1.129 112 Y CA 0.812 59.013 58.100 0.167 0.000 1.201 112 Y CB -1.085 37.455 38.460 0.133 0.000 0.999 112 Y HN -0.024 nan 8.280 nan 0.000 0.541 113 A N 2.559 125.235 122.820 -0.240 0.000 1.933 113 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 113 A C 2.383 179.899 177.584 -0.112 0.000 1.175 113 A CA 1.753 53.667 52.037 -0.204 0.000 0.628 113 A CB -0.763 18.050 19.000 -0.311 0.000 0.814 113 A HN 0.662 nan 8.150 nan 0.000 0.444 114 R N -1.548 118.878 120.500 -0.122 0.000 2.280 114 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 114 R C 1.289 177.460 176.300 -0.215 0.000 1.043 114 R CA 1.755 57.744 56.100 -0.186 0.000 1.006 114 R CB -0.561 29.587 30.300 -0.252 0.000 0.885 114 R HN 0.669 nan 8.270 nan 0.000 0.467 115 H N -0.615 118.469 119.070 0.022 0.000 2.681 115 H HA 0.121 4.677 4.556 -0.000 0.000 0.268 115 H C 1.913 177.252 175.328 0.019 0.000 0.967 115 H CA 0.381 56.453 56.048 0.040 0.000 1.233 115 H CB 0.697 30.510 29.762 0.084 0.000 1.445 115 H HN -0.022 nan 8.280 nan 0.000 0.494 116 V N 1.268 121.276 119.914 0.156 0.000 2.380 116 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 116 V C 1.252 177.317 176.094 -0.049 0.000 1.063 116 V CA 2.336 64.686 62.300 0.083 0.000 1.055 116 V CB -0.184 31.724 31.823 0.141 0.000 0.657 116 V HN 0.443 nan 8.190 nan 0.000 0.455 117 D N 0.228 120.559 120.400 -0.115 0.000 2.178 117 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 117 D C 2.100 178.120 176.300 -0.468 0.000 0.980 117 D CA 1.439 55.288 54.000 -0.252 0.000 0.842 117 D CB -0.712 39.898 40.800 -0.316 0.000 0.948 117 D HN 0.561 nan 8.370 nan 0.000 0.472 118 G N -0.211 108.456 108.800 -0.221 0.000 2.422 118 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 118 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 118 G C 1.715 176.471 174.900 -0.240 0.000 1.146 118 G CA 1.329 46.349 45.100 -0.134 0.000 0.769 118 G HN 0.229 nan 8.290 nan 0.000 0.547 119 T N 0.805 115.182 114.554 -0.294 0.000 2.708 119 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 119 T C 2.575 176.655 174.700 -1.033 0.000 1.037 119 T CA 1.239 62.980 62.100 -0.598 0.000 1.146 119 T CB -0.255 68.348 68.868 -0.442 0.000 0.865 119 T HN 0.063 nan 8.240 nan 0.000 0.435 120 V N 1.164 120.670 119.914 -0.680 0.000 2.343 120 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 120 V C 2.162 178.061 176.094 -0.325 0.000 1.051 120 V CA 1.752 63.741 62.300 -0.519 0.000 1.036 120 V CB -0.770 30.907 31.823 -0.242 0.000 0.654 120 V HN 0.684 nan 8.190 nan 0.000 0.451 121 H N -0.702 118.227 119.070 -0.235 0.000 2.387 121 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 121 H C 2.316 177.454 175.328 -0.316 0.000 1.090 121 H CA 1.266 57.217 56.048 -0.161 0.000 1.332 121 H CB -0.015 29.720 29.762 -0.046 0.000 1.386 121 H HN 0.303 nan 8.280 nan 0.000 0.516 122 L N -0.160 120.804 121.223 -0.431 0.000 2.056 122 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 122 L C 2.004 178.196 176.870 -1.130 0.000 1.078 122 L CA 0.514 54.814 54.840 -0.899 0.000 0.749 122 L CB -0.276 41.086 42.059 -1.162 0.000 0.901 122 L HN 0.244 nan 8.230 nan 0.000 0.433 123 F N 0.618 120.041 119.950 -0.879 0.000 2.091 123 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 123 F C 2.658 178.304 175.800 -0.258 0.000 1.103 123 F CA 1.628 59.336 58.000 -0.486 0.000 1.228 123 F CB -0.949 37.909 39.000 -0.237 0.000 0.984 123 F HN 0.247 nan 8.300 nan 0.000 0.477 124 E N 0.496 120.671 120.200 -0.042 0.000 2.072 124 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 124 E C 2.302 178.900 176.600 -0.003 0.000 0.985 124 E CA 1.260 57.646 56.400 -0.024 0.000 0.801 124 E CB -0.135 29.547 29.700 -0.028 0.000 0.750 124 E HN 0.322 nan 8.360 nan 0.000 0.452 125 K N -0.177 120.171 120.400 -0.087 0.000 2.103 125 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 125 K C 1.387 178.078 176.600 0.152 0.000 1.048 125 K CA 1.534 57.809 56.287 -0.021 0.000 0.930 125 K CB -0.115 32.324 32.500 -0.102 0.000 0.716 125 K HN 0.268 nan 8.250 nan 0.000 0.444 126 W N -0.180 121.154 121.300 0.057 0.000 3.077 126 W HA 0.236 4.896 4.660 -0.000 0.000 0.245 126 W C 1.180 177.711 176.519 0.020 0.000 1.316 126 W CA 0.875 58.240 57.345 0.034 0.000 1.537 126 W CB -0.261 29.210 29.460 0.019 0.000 1.131 126 W HN 0.502 nan 8.180 nan 0.000 0.695 127 G N -0.365 108.561 108.800 0.209 0.000 2.229 127 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.189 127 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.189 127 G C -0.261 174.694 174.900 0.091 0.000 1.000 127 G CA -0.361 44.817 45.100 0.129 0.000 0.663 127 G HN 0.069 nan 8.290 nan 0.000 0.493 128 L N 3.154 124.427 121.223 0.084 0.000 2.477 128 L HA 0.562 4.902 4.340 -0.000 0.000 0.272 128 L C -2.029 174.848 176.870 0.012 0.000 1.157 128 L CA -1.565 53.288 54.840 0.023 0.000 0.889 128 L CB 0.325 42.361 42.059 -0.038 0.000 1.158 128 L HN -0.046 nan 8.230 nan 0.000 0.473 129 P HA 0.314 nan 4.420 nan 0.000 0.287 129 P C -0.830 176.528 177.300 0.097 0.000 1.307 129 P CA 0.034 63.202 63.100 0.112 0.000 0.777 129 P CB 0.557 32.369 31.700 0.187 0.000 0.883 130 I N 3.272 123.862 120.570 0.033 0.000 2.392 130 I HA 0.302 4.472 4.170 -0.000 0.000 0.295 130 I C 0.129 176.318 176.117 0.120 0.000 0.985 130 I CA -0.911 60.351 61.300 -0.062 0.000 1.221 130 I CB 0.814 38.613 38.000 -0.336 0.000 1.366 130 I HN 0.221 nan 8.210 nan 0.000 0.467 131 W N 6.030 127.163 121.300 -0.279 0.000 2.257 131 W HA 0.199 4.859 4.660 -0.000 0.000 0.337 131 W C 0.176 176.686 176.519 -0.016 0.000 1.321 131 W CA -0.207 57.027 57.345 -0.186 0.000 1.267 131 W CB -0.089 29.196 29.460 -0.292 0.000 1.187 131 W HN 0.264 nan 8.180 nan 0.000 0.565 132 K N 1.313 121.866 120.400 0.256 0.000 2.435 132 K HA 0.423 4.743 4.320 -0.000 0.000 0.251 132 K C 0.155 176.852 176.600 0.160 0.000 0.954 132 K CA -0.913 55.496 56.287 0.203 0.000 0.820 132 K CB 2.079 34.678 32.500 0.165 0.000 1.292 132 K HN 0.381 nan 8.250 nan 0.000 0.436 133 T N -1.722 112.911 114.554 0.131 0.000 2.816 133 T HA 0.187 4.537 4.350 -0.000 0.000 0.282 133 T C -1.834 172.905 174.700 0.065 0.000 0.993 133 T CA -1.391 60.771 62.100 0.104 0.000 0.994 133 T CB 0.677 69.596 68.868 0.084 0.000 1.025 133 T HN 0.209 nan 8.240 nan 0.000 0.529 134 P HA -0.043 nan 4.420 nan 0.000 0.219 134 P C 1.099 178.409 177.300 0.017 0.000 1.146 134 P CA 0.780 63.894 63.100 0.024 0.000 0.808 134 P CB 0.029 31.737 31.700 0.014 0.000 0.779 135 D N -1.600 118.810 120.400 0.017 0.000 2.363 135 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 135 D C 1.342 177.639 176.300 -0.004 0.000 1.020 135 D CA 0.960 54.963 54.000 0.004 0.000 0.892 135 D CB -0.203 40.597 40.800 0.001 0.000 0.900 135 D HN 0.127 nan 8.370 nan 0.000 0.531 136 G N 1.080 109.885 108.800 0.009 0.000 2.157 136 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 136 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 136 G C 0.232 175.114 174.900 -0.031 0.000 0.982 136 G CA -0.138 44.962 45.100 -0.000 0.000 0.650 136 G HN 0.142 nan 8.290 nan 0.000 0.527 137 K N 0.281 120.671 120.400 -0.016 0.000 2.144 137 K HA 0.394 4.714 4.320 -0.000 0.000 0.270 137 K C 0.404 177.044 176.600 0.067 0.000 1.005 137 K CA -0.714 55.540 56.287 -0.055 0.000 0.932 137 K CB 0.631 33.118 32.500 -0.021 0.000 1.021 137 K HN 0.361 nan 8.250 nan 0.000 0.462 138 Y N 0.644 120.950 120.300 0.011 0.000 2.620 138 Y HA -0.036 4.514 4.550 -0.000 0.000 0.330 138 Y C 0.960 176.863 175.900 0.005 0.000 1.186 138 Y CA -0.845 57.243 58.100 -0.020 0.000 1.467 138 Y CB 0.414 38.811 38.460 -0.104 0.000 1.262 138 Y HN 0.089 nan 8.280 nan 0.000 0.550 139 V N 6.158 126.178 119.914 0.178 0.000 2.470 139 V HA 0.081 4.201 4.120 -0.000 0.000 0.276 139 V C 0.479 176.569 176.094 -0.007 0.000 1.040 139 V CA -0.565 61.804 62.300 0.116 0.000 1.008 139 V CB 0.246 32.178 31.823 0.181 0.000 0.990 139 V HN 0.654 nan 8.190 nan 0.000 0.477 140 R N 3.318 123.841 120.500 0.040 0.000 2.490 140 R HA 0.246 4.586 4.340 -0.000 0.000 0.278 140 R C 0.935 177.222 176.300 -0.022 0.000 1.069 140 R CA -0.117 55.980 56.100 -0.004 0.000 1.080 140 R CB 1.202 31.511 30.300 0.013 0.000 1.030 140 R HN 0.878 nan 8.270 nan 0.000 0.491 141 E N 0.988 121.132 120.200 -0.094 0.000 2.075 141 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 141 E C 0.818 177.438 176.600 0.034 0.000 0.950 141 E CA 0.602 56.952 56.400 -0.084 0.000 0.859 141 E CB 0.192 29.773 29.700 -0.198 0.000 0.846 141 E HN 0.682 nan 8.360 nan 0.000 0.467 142 G N -0.272 108.525 108.800 -0.005 0.000 3.194 142 G HA2 0.014 3.974 3.960 -0.000 0.000 0.160 142 G HA3 0.014 3.974 3.960 -0.000 0.000 0.160 142 G C 0.469 175.296 174.900 -0.121 0.000 1.267 142 G CA 0.275 45.367 45.100 -0.013 0.000 0.962 142 G HN 0.289 nan 8.290 nan 0.000 0.612 143 Q N -1.394 118.246 119.800 -0.267 0.000 2.250 143 Q HA 0.041 4.381 4.340 -0.000 0.000 0.200 143 Q C 1.579 177.156 176.000 -0.705 0.000 0.941 143 Q CA 0.924 56.370 55.803 -0.595 0.000 0.872 143 Q CB 0.052 28.223 28.738 -0.945 0.000 0.965 143 Q HN 0.659 nan 8.270 nan 0.000 0.480 144 W N 0.439 121.700 121.300 -0.065 0.000 3.103 144 W HA 0.240 4.900 4.660 0.000 0.000 0.325 144 W C -0.137 176.389 176.519 0.012 0.000 1.170 144 W CA -0.779 56.553 57.345 -0.021 0.000 1.712 144 W CB 0.831 30.309 29.460 0.030 0.000 1.068 144 W HN 0.027 nan 8.180 nan 0.000 0.592 145 Q N 1.274 121.151 119.800 0.129 0.000 2.297 145 Q HA 0.614 4.954 4.340 -0.000 0.000 0.268 145 Q C -0.227 175.746 176.000 -0.045 0.000 1.045 145 Q CA -0.728 55.092 55.803 0.028 0.000 0.861 145 Q CB 2.179 30.880 28.738 -0.061 0.000 1.344 145 Q HN 0.158 nan 8.270 nan 0.000 0.452 146 I N -2.403 118.089 120.570 -0.130 0.000 2.608 146 I HA 0.567 4.737 4.170 -0.000 0.000 0.295 146 I C -0.737 175.121 176.117 -0.433 0.000 1.049 146 I CA -1.373 59.787 61.300 -0.234 0.000 1.063 146 I CB 1.531 39.388 38.000 -0.239 0.000 1.248 146 I HN 0.314 nan 8.210 nan 0.000 0.424 147 M N 6.561 125.774 119.600 -0.646 0.000 2.233 147 M HA 0.497 4.977 4.480 -0.000 0.000 0.350 147 M C -0.203 175.517 176.300 -0.966 0.000 1.176 147 M CA -0.180 54.432 55.300 -1.146 0.000 1.150 147 M CB 0.631 31.916 32.600 -2.192 0.000 1.530 147 M HN 0.727 nan 8.290 nan 0.000 0.459 148 I N -0.530 119.559 120.570 -0.802 0.000 2.969 148 I HA 0.435 4.605 4.170 -0.000 0.000 0.307 148 I C -0.624 175.438 176.117 -0.091 0.000 1.149 148 I CA -0.886 60.199 61.300 -0.359 0.000 1.008 148 I CB 2.360 40.126 38.000 -0.390 0.000 1.232 148 I HN 0.450 nan 8.210 nan 0.000 0.435 149 H N 3.926 123.123 119.070 0.210 0.000 2.726 149 H HA 0.296 4.852 4.556 -0.000 0.000 0.244 149 H C 0.654 176.002 175.328 0.033 0.000 1.669 149 H CA -0.230 55.920 56.048 0.170 0.000 1.293 149 H CB 0.926 30.738 29.762 0.084 0.000 1.640 149 H HN 0.940 nan 8.280 nan 0.000 0.553 150 G N 1.411 110.246 108.800 0.058 0.000 3.518 150 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.273 150 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.273 150 G C 1.314 176.271 174.900 0.096 0.000 1.199 150 G CA -0.238 44.858 45.100 -0.007 0.000 0.899 150 G HN 0.399 nan 8.290 nan 0.000 0.533 151 E N 0.707 120.971 120.200 0.106 0.000 2.118 151 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 151 E C 1.304 177.965 176.600 0.103 0.000 0.992 151 E CA 0.915 57.374 56.400 0.100 0.000 0.804 151 E CB 0.036 29.787 29.700 0.084 0.000 0.741 151 E HN 0.296 nan 8.360 nan 0.000 0.458 152 S N 0.473 116.236 115.700 0.105 0.000 2.583 152 S HA 0.051 4.521 4.470 -0.000 0.000 0.239 152 S C 0.775 175.470 174.600 0.158 0.000 0.966 152 S CA -0.531 57.730 58.200 0.100 0.000 0.973 152 S CB -0.128 63.112 63.200 0.066 0.000 0.794 152 S HN 0.292 nan 8.310 nan 0.000 0.463 153 Y N 3.325 123.642 120.300 0.029 0.000 2.114 153 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 153 Y C 2.198 178.146 175.900 0.080 0.000 1.165 153 Y CA 1.646 59.769 58.100 0.039 0.000 1.148 153 Y CB -0.434 38.058 38.460 0.052 0.000 0.972 153 Y HN 0.170 nan 8.280 nan 0.000 0.504 154 K N -0.161 120.348 120.400 0.181 0.000 2.025 154 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 154 K C -0.798 175.776 176.600 -0.043 0.000 1.049 154 K CA 1.349 57.672 56.287 0.061 0.000 0.933 154 K CB -1.437 31.119 32.500 0.094 0.000 0.714 154 K HN 0.160 nan 8.250 nan 0.000 0.438 155 P HA -0.111 nan 4.420 nan 0.000 0.216 155 P C 1.060 178.328 177.300 -0.053 0.000 1.150 155 P CA 1.286 64.367 63.100 -0.031 0.000 0.837 155 P CB 0.037 31.733 31.700 -0.005 0.000 0.786 156 I N -1.674 118.880 120.570 -0.026 0.000 2.202 156 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 156 I C 1.969 178.013 176.117 -0.120 0.000 1.091 156 I CA 1.314 62.596 61.300 -0.031 0.000 1.368 156 I CB -0.566 37.465 38.000 0.051 0.000 1.058 156 I HN -0.132 nan 8.210 nan 0.000 0.410 157 I N 1.067 121.505 120.570 -0.219 0.000 2.361 157 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 157 I C 2.621 178.596 176.117 -0.237 0.000 1.133 157 I CA 1.413 62.508 61.300 -0.341 0.000 1.413 157 I CB -0.792 36.719 38.000 -0.815 0.000 1.073 157 I HN 0.131 nan 8.210 nan 0.000 0.424 158 A N -0.436 122.263 122.820 -0.203 0.000 1.898 158 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 158 A C 2.379 179.880 177.584 -0.138 0.000 1.181 158 A CA 1.804 53.753 52.037 -0.148 0.000 0.620 158 A CB -0.677 18.253 19.000 -0.117 0.000 0.819 158 A HN 0.506 nan 8.150 nan 0.000 0.442 159 E N -0.023 120.086 120.200 -0.150 0.000 2.077 159 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 159 E C 2.116 178.580 176.600 -0.227 0.000 0.989 159 E CA 1.078 57.383 56.400 -0.157 0.000 0.800 159 E CB -0.270 29.346 29.700 -0.141 0.000 0.746 159 E HN 0.521 nan 8.360 nan 0.000 0.452 160 A N 1.231 123.834 122.820 -0.363 0.000 1.902 160 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 160 A C 2.408 179.870 177.584 -0.204 0.000 1.181 160 A CA 1.885 53.586 52.037 -0.560 0.000 0.623 160 A CB -0.813 17.431 19.000 -1.260 0.000 0.818 160 A HN 0.429 nan 8.150 nan 0.000 0.443 161 A N -0.360 122.399 122.820 -0.101 0.000 1.898 161 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 161 A C 2.140 179.703 177.584 -0.034 0.000 1.181 161 A CA 1.981 54.019 52.037 0.002 0.000 0.620 161 A CB -0.444 18.544 19.000 -0.020 0.000 0.819 161 A HN 0.551 nan 8.150 nan 0.000 0.442 162 K N -1.122 119.234 120.400 -0.073 0.000 2.057 162 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 162 K C 2.014 178.575 176.600 -0.065 0.000 1.049 162 K CA 1.558 57.803 56.287 -0.069 0.000 0.931 162 K CB -0.200 32.253 32.500 -0.078 0.000 0.714 162 K HN 0.329 nan 8.250 nan 0.000 0.440 163 M N 0.300 119.851 119.600 -0.082 0.000 2.159 163 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 163 M C 2.307 178.579 176.300 -0.048 0.000 1.063 163 M CA 1.445 56.701 55.300 -0.073 0.000 1.110 163 M CB -0.864 31.673 32.600 -0.105 0.000 1.374 163 M HN 0.274 nan 8.290 nan 0.000 0.411 164 A N -0.705 122.098 122.820 -0.028 0.000 1.854 164 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 164 A C 2.345 179.904 177.584 -0.040 0.000 1.192 164 A CA 1.670 53.692 52.037 -0.026 0.000 0.611 164 A CB -0.949 18.058 19.000 0.010 0.000 0.832 164 A HN 0.280 nan 8.150 nan 0.000 0.442 165 V N -1.018 118.878 119.914 -0.031 0.000 2.878 165 V HA 0.393 4.513 4.120 -0.000 0.000 0.250 165 V C 1.020 177.094 176.094 -0.033 0.000 1.075 165 V CA 1.526 63.807 62.300 -0.033 0.000 1.096 165 V CB -0.525 31.281 31.823 -0.028 0.000 0.724 165 V HN 1.517 nan 8.190 nan 0.000 0.467 166 G N 0.660 109.437 108.800 -0.039 0.000 3.055 166 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 166 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 166 G C 0.174 175.044 174.900 -0.050 0.000 1.087 166 G CA 0.099 45.173 45.100 -0.042 0.000 0.779 166 G HN 0.643 nan 8.290 nan 0.000 0.599 167 E N 0.768 120.934 120.200 -0.058 0.000 2.160 167 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 167 E C 1.891 178.432 176.600 -0.100 0.000 0.991 167 E CA 1.569 57.924 56.400 -0.074 0.000 0.810 167 E CB -0.070 29.588 29.700 -0.070 0.000 0.742 167 E HN 0.723 nan 8.360 nan 0.000 0.466 168 E N 1.155 121.303 120.200 -0.086 0.000 2.472 168 E HA -0.143 4.207 4.350 -0.000 0.000 0.200 168 E C 0.622 177.155 176.600 -0.111 0.000 1.046 168 E CA 0.587 56.921 56.400 -0.109 0.000 0.871 168 E CB -0.216 29.446 29.700 -0.064 0.000 0.806 168 E HN 0.316 nan 8.360 nan 0.000 0.533 169 N N 0.572 119.237 118.700 -0.059 0.000 2.214 169 N HA 0.245 4.985 4.740 -0.000 0.000 0.214 169 N C -0.272 175.270 175.510 0.053 0.000 1.132 169 N CA -0.008 53.062 53.050 0.033 0.000 0.856 169 N CB 1.020 39.529 38.487 0.036 0.000 1.020 169 N HN 0.217 nan 8.380 nan 0.000 0.509 170 I N 1.128 121.658 120.570 -0.068 0.000 2.389 170 I HA 0.245 4.415 4.170 -0.000 0.000 0.288 170 I C -1.032 175.006 176.117 -0.131 0.000 0.999 170 I CA -0.744 60.535 61.300 -0.036 0.000 1.129 170 I CB 0.950 38.911 38.000 -0.064 0.000 1.288 170 I HN -0.146 nan 8.210 nan 0.000 0.444 171 Y N 4.911 125.179 120.300 -0.054 0.000 2.342 171 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 171 Y C 0.298 176.135 175.900 -0.106 0.000 0.965 171 Y CA -0.594 57.469 58.100 -0.061 0.000 1.159 171 Y CB 1.033 39.462 38.460 -0.051 0.000 1.157 171 Y HN 0.504 nan 8.280 nan 0.000 0.486 172 E N 2.446 122.652 120.200 0.010 0.000 2.232 172 E HA 0.496 4.846 4.350 -0.000 0.000 0.264 172 E C -0.183 176.418 176.600 0.002 0.000 0.973 172 E CA -1.029 55.362 56.400 -0.014 0.000 0.849 172 E CB 0.905 30.587 29.700 -0.029 0.000 1.198 172 E HN 0.389 nan 8.360 nan 0.000 0.407 173 R N -0.739 119.762 120.500 0.001 0.000 3.525 173 R HA -0.134 4.206 4.340 -0.000 0.000 0.276 173 R C -1.285 175.034 176.300 0.031 0.000 1.116 173 R CA 0.269 56.390 56.100 0.035 0.000 0.745 173 R CB -2.525 27.813 30.300 0.063 0.000 1.185 173 R HN 0.275 nan 8.270 nan 0.000 0.454 174 V N 1.440 121.329 119.914 -0.042 0.000 2.443 174 V HA 0.387 4.507 4.120 -0.000 0.000 0.293 174 V C -0.084 175.919 176.094 -0.152 0.000 1.021 174 V CA -0.852 61.371 62.300 -0.129 0.000 0.848 174 V CB 1.722 33.350 31.823 -0.324 0.000 0.998 174 V HN 0.198 nan 8.190 nan 0.000 0.424 175 F N 6.364 126.079 119.950 -0.391 0.000 2.404 175 F HA 0.569 5.096 4.527 0.000 0.000 0.358 175 F C 0.007 175.540 175.800 -0.446 0.000 1.120 175 F CA -0.655 57.067 58.000 -0.463 0.000 1.144 175 F CB 0.646 39.234 39.000 -0.687 0.000 1.133 175 F HN 0.266 nan 8.300 nan 0.000 0.495 176 I N 8.610 128.702 120.570 -0.796 0.000 2.371 176 I HA 0.053 4.223 4.170 -0.000 0.000 0.290 176 I C 0.421 176.208 176.117 -0.550 0.000 1.028 176 I CA -0.107 60.852 61.300 -0.569 0.000 1.345 176 I CB 0.511 38.209 38.000 -0.504 0.000 1.407 176 I HN 0.752 nan 8.210 nan 0.000 0.501 177 F N 3.411 123.191 119.950 -0.284 0.000 2.724 177 F HA 0.543 5.070 4.527 0.000 0.000 0.306 177 F C 0.319 176.209 175.800 0.150 0.000 1.100 177 F CA -0.398 57.612 58.000 0.016 0.000 1.255 177 F CB 0.446 39.264 39.000 -0.302 0.000 1.072 177 F HN 0.411 nan 8.300 nan 0.000 0.589 178 E N 0.652 120.515 120.200 -0.562 0.000 2.390 178 E HA 0.526 4.876 4.350 -0.000 0.000 0.280 178 E C -1.518 174.882 176.600 -0.333 0.000 0.992 178 E CA -0.566 55.658 56.400 -0.294 0.000 0.790 178 E CB 1.817 31.340 29.700 -0.295 0.000 1.248 178 E HN 0.204 nan 8.360 nan 0.000 0.447 179 L N 2.474 123.566 121.223 -0.218 0.000 2.431 179 L HA 0.571 4.911 4.340 -0.000 0.000 0.260 179 L C -0.304 176.474 176.870 -0.154 0.000 1.098 179 L CA -0.995 53.726 54.840 -0.198 0.000 0.800 179 L CB 0.655 42.603 42.059 -0.186 0.000 1.210 179 L HN 0.435 nan 8.230 nan 0.000 0.465 180 L N 1.215 122.365 121.223 -0.122 0.000 2.346 180 L HA 0.508 4.848 4.340 -0.000 0.000 0.274 180 L C -0.416 176.411 176.870 -0.071 0.000 1.007 180 L CA -0.708 54.085 54.840 -0.079 0.000 0.818 180 L CB 1.921 43.947 42.059 -0.056 0.000 1.284 180 L HN 0.532 nan 8.230 nan 0.000 0.424 181 K N 0.657 121.022 120.400 -0.057 0.000 2.238 181 K HA 0.280 4.600 4.320 -0.000 0.000 0.239 181 K C -1.070 175.509 176.600 -0.034 0.000 0.987 181 K CA -1.053 55.202 56.287 -0.054 0.000 0.857 181 K CB 1.643 34.104 32.500 -0.065 0.000 1.154 181 K HN 0.425 nan 8.250 nan 0.000 0.439 182 D N 1.773 122.156 120.400 -0.029 0.000 2.434 182 D HA -0.073 4.567 4.640 -0.000 0.000 0.252 182 D C 1.019 177.309 176.300 -0.017 0.000 1.185 182 D CA 0.417 54.407 54.000 -0.017 0.000 0.886 182 D CB 0.533 41.328 40.800 -0.009 0.000 1.148 182 D HN 0.459 nan 8.370 nan 0.000 0.483 183 N N 4.011 122.704 118.700 -0.011 0.000 2.192 183 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 183 N C 0.254 175.758 175.510 -0.010 0.000 1.013 183 N CA 1.026 54.071 53.050 -0.009 0.000 0.863 183 N CB 0.106 38.591 38.487 -0.004 0.000 0.990 183 N HN 0.447 nan 8.380 nan 0.000 0.430 184 N N 0.170 118.864 118.700 -0.009 0.000 2.214 184 N HA 0.027 4.767 4.740 -0.000 0.000 0.214 184 N C -1.006 174.498 175.510 -0.010 0.000 1.132 184 N CA 0.041 53.086 53.050 -0.008 0.000 0.856 184 N CB 0.780 39.264 38.487 -0.006 0.000 1.020 184 N HN 0.209 nan 8.380 nan 0.000 0.509 185 D N 0.401 120.793 120.400 -0.014 0.000 2.354 185 D HA 0.122 4.762 4.640 -0.000 0.000 0.230 185 D C -2.140 174.143 176.300 -0.028 0.000 1.361 185 D CA -1.210 52.780 54.000 -0.016 0.000 0.992 185 D CB 2.162 42.957 40.800 -0.007 0.000 1.409 185 D HN -0.097 nan 8.370 nan 0.000 0.573 186 P HA -0.046 nan 4.420 nan 0.000 0.231 186 P C 0.379 177.641 177.300 -0.065 0.000 1.158 186 P CA 0.573 63.641 63.100 -0.052 0.000 0.763 186 P CB 0.393 32.060 31.700 -0.054 0.000 0.805 187 N N -0.375 118.292 118.700 -0.055 0.000 2.433 187 N HA 0.359 5.099 4.740 -0.000 0.000 0.270 187 N C -1.112 174.361 175.510 -0.061 0.000 1.354 187 N CA -0.376 52.634 53.050 -0.066 0.000 0.889 187 N CB 0.435 38.886 38.487 -0.060 0.000 1.285 187 N HN -0.065 nan 8.380 nan 0.000 0.503 188 A N -0.354 122.435 122.820 -0.053 0.000 2.393 188 A HA 0.618 4.938 4.320 -0.000 0.000 0.306 188 A C -0.876 176.679 177.584 -0.049 0.000 1.050 188 A CA -0.619 51.394 52.037 -0.040 0.000 0.724 188 A CB 1.480 20.480 19.000 0.001 0.000 1.248 188 A HN 0.064 nan 8.150 nan 0.000 0.424 189 V N 1.507 121.388 119.914 -0.056 0.000 2.785 189 V HA 0.614 4.734 4.120 -0.000 0.000 0.300 189 V C 0.866 176.947 176.094 -0.023 0.000 1.062 189 V CA 0.808 63.071 62.300 -0.061 0.000 1.029 189 V CB 1.650 33.420 31.823 -0.088 0.000 1.024 189 V HN 1.555 nan 8.190 nan 0.000 0.477 190 A N 3.406 126.206 122.820 -0.033 0.000 2.600 190 A HA 0.804 5.124 4.320 -0.000 0.000 0.252 190 A C 0.648 178.220 177.584 -0.019 0.000 1.200 190 A CA 0.760 52.787 52.037 -0.016 0.000 0.981 190 A CB 0.173 19.163 19.000 -0.016 0.000 1.207 190 A HN 1.909 nan 8.150 nan 0.000 0.577 191 G N -1.342 107.434 108.800 -0.040 0.000 2.373 191 G HA2 0.595 4.555 3.960 -0.000 0.000 0.250 191 G HA3 0.595 4.555 3.960 -0.000 0.000 0.250 191 G C -0.827 174.024 174.900 -0.082 0.000 1.304 191 G CA 0.156 45.233 45.100 -0.037 0.000 0.948 191 G HN 1.741 nan 8.290 nan 0.000 0.474 192 A N -1.706 121.074 122.820 -0.066 0.000 2.601 192 A HA 0.940 5.260 4.320 -0.000 0.000 0.291 192 A C -0.736 176.774 177.584 -0.124 0.000 1.075 192 A CA 0.231 52.178 52.037 -0.150 0.000 0.671 192 A CB 1.180 20.041 19.000 -0.231 0.000 1.277 192 A HN 2.311 nan 8.150 nan 0.000 0.417 193 V N -1.284 118.437 119.914 -0.322 0.000 2.769 193 V HA 1.051 5.171 4.120 -0.000 0.000 0.312 193 V C 0.221 176.015 176.094 -0.501 0.000 1.061 193 V CA 0.182 62.228 62.300 -0.424 0.000 0.931 193 V CB 1.193 32.755 31.823 -0.436 0.000 1.010 193 V HN 2.178 nan 8.190 nan 0.000 0.433 194 G N 1.954 110.610 108.800 -0.240 0.000 2.663 194 G HA2 0.856 4.816 3.960 -0.000 0.000 0.299 194 G HA3 0.856 4.816 3.960 -0.000 0.000 0.299 194 G C -1.594 173.485 174.900 0.298 0.000 1.372 194 G CA -0.411 44.711 45.100 0.037 0.000 0.781 194 G HN 1.626 nan 8.290 nan 0.000 0.491 195 F N -1.174 118.972 119.950 0.327 0.000 2.631 195 F HA 0.823 5.350 4.527 -0.000 0.000 0.308 195 F C -0.101 175.894 175.800 0.324 0.000 1.097 195 F CA -1.270 56.958 58.000 0.380 0.000 0.952 195 F CB 1.639 40.809 39.000 0.284 0.000 1.307 195 F HN 0.598 nan 8.300 nan 0.000 0.450 196 S N 0.426 116.479 115.700 0.589 0.000 2.585 196 S HA 0.452 4.922 4.470 -0.000 0.000 0.273 196 S C 0.440 175.301 174.600 0.434 0.000 1.339 196 S CA 0.024 58.468 58.200 0.406 0.000 1.028 196 S CB 1.233 64.681 63.200 0.415 0.000 0.906 196 S HN 1.388 nan 8.310 nan 0.000 0.528 197 V N 2.829 122.921 119.914 0.298 0.000 3.214 197 V HA 0.566 4.686 4.120 -0.000 0.000 0.330 197 V C 1.098 177.332 176.094 0.234 0.000 1.403 197 V CA -0.215 62.261 62.300 0.293 0.000 1.143 197 V CB -0.290 31.668 31.823 0.225 0.000 1.098 197 V HN 0.748 nan 8.190 nan 0.000 0.463 198 R N 1.531 122.160 120.500 0.216 0.000 2.453 198 R HA 0.403 4.743 4.340 -0.000 0.000 0.233 198 R C 0.340 176.742 176.300 0.170 0.000 0.895 198 R CA 0.725 56.929 56.100 0.174 0.000 1.028 198 R CB 1.027 31.410 30.300 0.138 0.000 1.255 198 R HN 0.916 nan 8.270 nan 0.000 0.571 199 E N 0.210 120.517 120.200 0.178 0.000 2.429 199 E HA 0.332 4.682 4.350 -0.000 0.000 0.280 199 E C -2.951 173.665 176.600 0.027 0.000 1.068 199 E CA -2.001 54.465 56.400 0.110 0.000 0.837 199 E CB 2.240 31.998 29.700 0.096 0.000 1.357 199 E HN -0.274 nan 8.360 nan 0.000 0.455 200 P HA 0.163 nan 4.420 nan 0.000 0.273 200 P C -1.257 175.953 177.300 -0.150 0.000 1.428 200 P CA 0.042 62.854 63.100 -0.479 0.000 0.995 200 P CB 0.121 31.117 31.700 -1.172 0.000 1.286 201 K N 3.839 124.295 120.400 0.093 0.000 2.571 201 K HA 0.344 4.664 4.320 -0.000 0.000 0.252 201 K C -1.918 174.895 176.600 0.354 0.000 0.956 201 K CA -0.729 55.633 56.287 0.124 0.000 0.822 201 K CB 1.483 34.011 32.500 0.047 0.000 1.286 201 K HN 0.066 nan 8.250 nan 0.000 0.439 202 F N 4.568 124.592 119.950 0.123 0.000 2.410 202 F HA 0.431 4.958 4.527 -0.000 0.000 0.349 202 F C -1.352 174.469 175.800 0.035 0.000 1.117 202 F CA -0.315 57.845 58.000 0.266 0.000 1.104 202 F CB 0.567 39.733 39.000 0.278 0.000 1.122 202 F HN 0.423 nan 8.300 nan 0.000 0.483 203 Y N 4.519 124.518 120.300 -0.503 0.000 2.341 203 Y HA 0.582 5.132 4.550 -0.000 0.000 0.337 203 Y C -0.558 174.869 175.900 -0.787 0.000 1.014 203 Y CA -0.864 56.882 58.100 -0.590 0.000 1.111 203 Y CB 1.776 39.963 38.460 -0.455 0.000 1.194 203 Y HN 0.279 nan 8.280 nan 0.000 0.462 204 V N 5.387 124.985 119.914 -0.526 0.000 2.376 204 V HA 0.330 4.450 4.120 -0.000 0.000 0.287 204 V C -0.961 174.897 176.094 -0.393 0.000 1.015 204 V CA -1.001 61.090 62.300 -0.348 0.000 0.834 204 V CB 0.444 32.166 31.823 -0.168 0.000 1.001 204 V HN 0.488 nan 8.190 nan 0.000 0.428 205 F N 3.714 123.558 119.950 -0.177 0.000 2.404 205 F HA 0.524 5.051 4.527 -0.000 0.000 0.354 205 F C 0.676 176.400 175.800 -0.127 0.000 1.122 205 F CA -0.593 57.308 58.000 -0.165 0.000 1.080 205 F CB 1.409 40.281 39.000 -0.213 0.000 1.131 205 F HN 0.258 nan 8.300 nan 0.000 0.471 206 K N 3.309 123.737 120.400 0.048 0.000 2.240 206 K HA 0.825 5.145 4.320 -0.000 0.000 0.271 206 K C -0.690 175.927 176.600 0.029 0.000 1.018 206 K CA -0.591 55.707 56.287 0.018 0.000 0.874 206 K CB 1.701 34.196 32.500 -0.009 0.000 1.098 206 K HN 0.695 nan 8.250 nan 0.000 0.458 207 A N 2.508 125.338 122.820 0.017 0.000 2.556 207 A HA 0.368 4.688 4.320 -0.000 0.000 0.294 207 A C -0.099 177.497 177.584 0.019 0.000 1.091 207 A CA -0.778 51.267 52.037 0.013 0.000 0.704 207 A CB 1.328 20.328 19.000 0.001 0.000 1.300 207 A HN 0.727 nan 8.150 nan 0.000 0.406 208 K N -0.031 120.384 120.400 0.026 0.000 2.284 208 K HA 0.392 4.712 4.320 -0.000 0.000 0.198 208 K C 0.482 177.193 176.600 0.186 0.000 1.048 208 K CA 1.273 57.591 56.287 0.052 0.000 0.987 208 K CB 0.453 32.937 32.500 -0.028 0.000 0.800 208 K HN 0.760 nan 8.250 nan 0.000 0.486 209 A N 1.046 123.963 122.820 0.161 0.000 2.422 209 A HA 0.570 4.890 4.320 -0.000 0.000 0.302 209 A C -1.135 176.503 177.584 0.091 0.000 1.041 209 A CA -0.629 51.551 52.037 0.239 0.000 0.708 209 A CB 1.698 20.900 19.000 0.337 0.000 1.257 209 A HN -0.084 nan 8.150 nan 0.000 0.414 210 V N 2.999 122.964 119.914 0.084 0.000 2.604 210 V HA 0.504 4.624 4.120 -0.000 0.000 0.305 210 V C -0.554 175.555 176.094 0.025 0.000 1.043 210 V CA -0.274 62.017 62.300 -0.015 0.000 0.888 210 V CB 1.680 33.456 31.823 -0.079 0.000 0.995 210 V HN 0.743 nan 8.190 nan 0.000 0.429 211 I N 5.288 125.827 120.570 -0.052 0.000 2.382 211 I HA 0.399 4.569 4.170 -0.000 0.000 0.286 211 I C -0.543 175.523 176.117 -0.084 0.000 1.002 211 I CA -0.455 60.821 61.300 -0.039 0.000 1.135 211 I CB 1.615 39.549 38.000 -0.111 0.000 1.288 211 I HN 0.354 nan 8.210 nan 0.000 0.448 212 L N 6.473 127.654 121.223 -0.070 0.000 2.315 212 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 212 L C 0.696 177.542 176.870 -0.040 0.000 1.089 212 L CA -0.017 54.774 54.840 -0.081 0.000 0.833 212 L CB 0.861 42.871 42.059 -0.082 0.000 1.170 212 L HN 0.764 nan 8.230 nan 0.000 0.442 213 A N 1.183 123.963 122.820 -0.068 0.000 2.806 213 A HA 0.212 4.532 4.320 -0.000 0.000 0.266 213 A C 0.972 178.523 177.584 -0.055 0.000 0.926 213 A CA -0.099 51.911 52.037 -0.046 0.000 1.068 213 A CB -0.082 18.882 19.000 -0.060 0.000 1.189 213 A HN 0.723 nan 8.150 nan 0.000 0.481 214 T N -2.923 111.588 114.554 -0.071 0.000 3.148 214 T HA 0.443 4.793 4.350 -0.000 0.000 0.253 214 T C 1.164 175.841 174.700 -0.039 0.000 1.134 214 T CA 0.970 63.025 62.100 -0.074 0.000 1.051 214 T CB -0.330 68.475 68.868 -0.104 0.000 0.959 214 T HN 2.108 nan 8.240 nan 0.000 0.525 215 G N -0.137 108.649 108.800 -0.024 0.000 2.796 215 G HA2 0.235 4.195 3.960 -0.000 0.000 0.571 215 G HA3 0.235 4.195 3.960 -0.000 0.000 0.571 215 G C 0.207 175.081 174.900 -0.042 0.000 1.370 215 G CA -0.554 44.566 45.100 0.034 0.000 0.856 215 G HN 0.798 nan 8.290 nan 0.000 0.538 216 G N -0.533 108.323 108.800 0.094 0.000 2.624 216 G HA2 0.791 4.751 3.960 -0.000 0.000 0.217 216 G HA3 0.791 4.751 3.960 -0.000 0.000 0.217 216 G C 0.369 175.345 174.900 0.127 0.000 1.506 216 G CA 0.722 45.859 45.100 0.061 0.000 1.072 216 G HN 2.271 nan 8.290 nan 0.000 0.568 217 A N -0.632 122.344 122.820 0.260 0.000 2.359 217 A HA 0.750 5.070 4.320 -0.000 0.000 0.303 217 A C -0.027 177.732 177.584 0.292 0.000 1.066 217 A CA 0.088 52.295 52.037 0.283 0.000 0.730 217 A CB 1.384 20.609 19.000 0.375 0.000 1.211 217 A HN 1.350 nan 8.150 nan 0.000 0.439 218 T N -1.014 113.708 114.554 0.281 0.000 2.907 218 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 218 T C 0.400 175.260 174.700 0.267 0.000 1.066 218 T CA -0.392 61.919 62.100 0.352 0.000 1.012 218 T CB 0.863 69.868 68.868 0.229 0.000 1.184 218 T HN 1.352 nan 8.240 nan 0.000 0.522 219 L N -0.606 120.790 121.223 0.287 0.000 4.232 219 L HA -0.182 4.158 4.340 -0.000 0.000 0.415 219 L C 0.957 177.918 176.870 0.150 0.000 1.168 219 L CA -0.013 54.945 54.840 0.196 0.000 0.966 219 L CB -1.491 40.654 42.059 0.142 0.000 2.052 219 L HN 0.626 nan 8.230 nan 0.000 0.887 220 L N -1.119 120.205 121.223 0.169 0.000 2.209 220 L HA 0.135 4.475 4.340 -0.000 0.000 0.207 220 L C 0.822 177.619 176.870 -0.120 0.000 1.094 220 L CA 1.706 56.568 54.840 0.037 0.000 0.790 220 L CB -0.069 42.019 42.059 0.048 0.000 0.932 220 L HN 0.067 nan 8.230 nan 0.000 0.447 221 F N -0.899 119.048 119.950 -0.005 0.000 2.450 221 F HA 0.420 4.947 4.527 -0.000 0.000 0.332 221 F C 0.866 176.658 175.800 -0.013 0.000 1.093 221 F CA -1.016 56.967 58.000 -0.028 0.000 1.003 221 F CB 0.751 39.692 39.000 -0.098 0.000 1.151 221 F HN -0.232 nan 8.300 nan 0.000 0.474 222 R N 3.618 124.217 120.500 0.164 0.000 2.522 222 R HA 0.189 4.529 4.340 -0.000 0.000 0.284 222 R C -2.600 173.765 176.300 0.109 0.000 1.032 222 R CA -0.967 55.200 56.100 0.111 0.000 1.049 222 R CB 0.289 30.636 30.300 0.077 0.000 0.956 222 R HN 0.255 nan 8.270 nan 0.000 0.422 223 P HA 0.164 nan 4.420 nan 0.000 0.277 223 P C -0.358 177.002 177.300 0.101 0.000 1.271 223 P CA -0.450 62.721 63.100 0.119 0.000 0.795 223 P CB 0.626 32.422 31.700 0.160 0.000 1.101 224 R N -0.845 119.735 120.500 0.134 0.000 2.307 224 R HA 0.154 4.494 4.340 -0.000 0.000 0.199 224 R C -0.065 176.275 176.300 0.068 0.000 1.000 224 R CA 0.731 56.890 56.100 0.097 0.000 1.023 224 R CB -0.085 30.295 30.300 0.134 0.000 0.908 224 R HN 0.357 nan 8.270 nan 0.000 0.473 225 S N -0.553 115.195 115.700 0.080 0.000 2.594 225 S HA 0.149 4.619 4.470 -0.000 0.000 0.296 225 S C 0.427 175.061 174.600 0.057 0.000 1.124 225 S CA -0.739 57.489 58.200 0.048 0.000 1.011 225 S CB 2.031 65.249 63.200 0.030 0.000 1.016 225 S HN 0.249 nan 8.310 nan 0.000 0.485 226 T N -0.601 113.979 114.554 0.042 0.000 3.085 226 T HA 0.357 4.707 4.350 -0.000 0.000 0.264 226 T C 0.977 175.697 174.700 0.033 0.000 1.019 226 T CA 0.090 62.217 62.100 0.046 0.000 0.910 226 T CB 0.363 69.259 68.868 0.046 0.000 1.059 226 T HN 0.553 nan 8.240 nan 0.000 0.542 227 G N 1.500 110.314 108.800 0.023 0.000 3.434 227 G HA2 0.297 4.257 3.960 -0.000 0.000 0.192 227 G HA3 0.297 4.257 3.960 -0.000 0.000 0.192 227 G C 0.795 175.699 174.900 0.008 0.000 1.704 227 G CA -0.255 44.851 45.100 0.011 0.000 0.936 227 G HN 0.328 nan 8.290 nan 0.000 0.623 228 E N 0.333 120.537 120.200 0.005 0.000 2.110 228 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 228 E C 2.529 179.136 176.600 0.012 0.000 0.988 228 E CA 0.844 57.247 56.400 0.006 0.000 0.804 228 E CB -0.165 29.538 29.700 0.006 0.000 0.745 228 E HN 0.341 nan 8.360 nan 0.000 0.458 229 A N 1.035 123.861 122.820 0.012 0.000 2.264 229 A HA 0.082 4.402 4.320 -0.000 0.000 0.207 229 A C 2.097 179.708 177.584 0.044 0.000 1.196 229 A CA 0.924 52.970 52.037 0.016 0.000 0.778 229 A CB -0.417 18.582 19.000 -0.002 0.000 0.779 229 A HN 0.261 nan 8.150 nan 0.000 0.483 230 A N -0.603 122.244 122.820 0.046 0.000 2.121 230 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 230 A C 2.113 179.737 177.584 0.067 0.000 1.154 230 A CA 1.369 53.448 52.037 0.069 0.000 0.679 230 A CB -0.715 18.321 19.000 0.059 0.000 0.795 230 A HN 0.673 nan 8.150 nan 0.000 0.458 231 G N -0.983 107.840 108.800 0.039 0.000 2.650 231 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.214 231 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.214 231 G C 1.075 175.976 174.900 0.001 0.000 1.136 231 G CA 0.277 45.386 45.100 0.014 0.000 0.789 231 G HN 0.428 nan 8.290 nan 0.000 0.536 232 R N 2.295 122.820 120.500 0.042 0.000 4.138 232 R HA 0.244 4.584 4.340 -0.000 0.000 0.206 232 R C 0.349 176.767 176.300 0.195 0.000 1.667 232 R CA -0.077 56.063 56.100 0.067 0.000 1.481 232 R CB -1.017 29.308 30.300 0.041 0.000 1.388 232 R HN 0.157 nan 8.270 nan 0.000 0.776 233 T N -2.094 112.519 114.554 0.098 0.000 2.910 233 T HA 0.040 4.390 4.350 -0.000 0.000 0.293 233 T C 0.853 175.555 174.700 0.003 0.000 1.015 233 T CA -0.817 61.371 62.100 0.146 0.000 1.094 233 T CB 1.085 69.982 68.868 0.048 0.000 0.968 233 T HN 0.676 nan 8.240 nan 0.000 0.521 234 W N 2.566 123.748 121.300 -0.196 0.000 2.378 234 W HA 0.059 4.719 4.660 -0.000 0.000 0.313 234 W C 0.500 176.785 176.519 -0.390 0.000 1.197 234 W CA 0.542 57.716 57.345 -0.284 0.000 1.304 234 W CB -0.366 28.852 29.460 -0.402 0.000 1.148 234 W HN 0.707 nan 8.180 nan 0.000 0.494 235 Y N 0.894 120.410 120.300 -1.308 0.000 2.281 235 Y HA 0.391 4.941 4.550 -0.000 0.000 0.337 235 Y C 0.647 176.047 175.900 -0.833 0.000 1.304 235 Y CA -0.970 56.325 58.100 -1.343 0.000 1.465 235 Y CB 0.316 38.115 38.460 -1.102 0.000 1.350 235 Y HN 0.049 nan 8.280 nan 0.000 0.575 236 A N 4.730 126.811 122.820 -1.231 0.000 2.526 236 A HA -0.009 4.311 4.320 -0.000 0.000 0.267 236 A C 1.357 178.588 177.584 -0.590 0.000 1.095 236 A CA 0.176 51.706 52.037 -0.845 0.000 0.775 236 A CB -1.028 17.570 19.000 -0.669 0.000 1.036 236 A HN 0.984 nan 8.150 nan 0.000 0.510 237 I N 2.127 122.243 120.570 -0.756 0.000 2.700 237 I HA -0.203 3.967 4.170 -0.000 0.000 0.261 237 I C 1.191 177.116 176.117 -0.319 0.000 1.219 237 I CA 1.269 62.288 61.300 -0.468 0.000 1.463 237 I CB -0.123 37.608 38.000 -0.448 0.000 1.092 237 I HN 0.799 nan 8.210 nan 0.000 0.452 238 F N 0.381 120.299 119.950 -0.055 0.000 2.502 238 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 238 F C 0.461 176.274 175.800 0.023 0.000 1.111 238 F CA -0.188 57.803 58.000 -0.015 0.000 1.445 238 F CB -0.354 38.621 39.000 -0.043 0.000 1.081 238 F HN 0.046 nan 8.300 nan 0.000 0.558 239 D N 0.375 120.849 120.400 0.123 0.000 2.317 239 D HA 0.139 4.779 4.640 -0.000 0.000 0.234 239 D C 0.865 177.262 176.300 0.162 0.000 1.112 239 D CA 0.057 54.140 54.000 0.138 0.000 0.840 239 D CB 1.345 42.218 40.800 0.122 0.000 1.078 239 D HN 0.012 nan 8.370 nan 0.000 0.486 240 T N -1.074 113.601 114.554 0.203 0.000 3.293 240 T HA 0.408 4.758 4.350 -0.000 0.000 0.276 240 T C 1.134 176.014 174.700 0.299 0.000 1.003 240 T CA -0.120 62.128 62.100 0.246 0.000 0.916 240 T CB -0.179 68.845 68.868 0.261 0.000 1.134 240 T HN 0.497 nan 8.240 nan 0.000 0.530 241 G N 1.100 110.035 108.800 0.224 0.000 2.198 241 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 241 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 241 G C 0.972 176.001 174.900 0.214 0.000 1.025 241 G CA 0.430 45.674 45.100 0.240 0.000 0.769 241 G HN 0.589 nan 8.290 nan 0.000 0.507 242 S N -0.308 115.480 115.700 0.146 0.000 2.356 242 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 242 S C 2.659 177.196 174.600 -0.105 0.000 1.032 242 S CA 1.949 60.139 58.200 -0.017 0.000 1.005 242 S CB -0.476 62.766 63.200 0.070 0.000 0.867 242 S HN 1.236 nan 8.310 nan 0.000 0.449 243 G N 0.025 108.778 108.800 -0.079 0.000 2.418 243 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 243 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 243 G C 1.133 176.226 174.900 0.322 0.000 1.158 243 G CA 0.601 45.714 45.100 0.020 0.000 0.771 243 G HN 0.580 nan 8.290 nan 0.000 0.545 244 Y N -1.055 119.430 120.300 0.309 0.000 2.145 244 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 244 Y C 2.588 178.623 175.900 0.225 0.000 1.145 244 Y CA 1.135 59.371 58.100 0.227 0.000 1.148 244 Y CB -0.416 38.188 38.460 0.240 0.000 0.981 244 Y HN 0.260 nan 8.280 nan 0.000 0.507 245 Y N 1.723 122.164 120.300 0.234 0.000 2.049 245 Y HA -0.391 4.159 4.550 0.000 0.000 0.277 245 Y C 2.633 178.515 175.900 -0.030 0.000 1.143 245 Y CA 2.226 60.374 58.100 0.080 0.000 1.115 245 Y CB -0.578 37.859 38.460 -0.038 0.000 0.975 245 Y HN 0.149 nan 8.280 nan 0.000 0.487 246 M N -0.741 118.763 119.600 -0.159 0.000 2.159 246 M HA 0.009 4.489 4.480 -0.000 0.000 0.263 246 M C 2.222 178.380 176.300 -0.236 0.000 1.063 246 M CA 2.127 57.258 55.300 -0.283 0.000 1.110 246 M CB -1.339 31.180 32.600 -0.134 0.000 1.374 246 M HN 0.260 nan 8.290 nan 0.000 0.411 247 G N 2.112 110.876 108.800 -0.060 0.000 2.404 247 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.215 247 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.215 247 G C 1.527 176.445 174.900 0.031 0.000 1.174 247 G CA 1.070 46.076 45.100 -0.156 0.000 0.780 247 G HN 0.591 nan 8.290 nan 0.000 0.537 248 L N -0.860 120.492 121.223 0.215 0.000 2.141 248 L HA 0.224 4.564 4.340 -0.000 0.000 0.209 248 L C 2.242 179.039 176.870 -0.121 0.000 1.094 248 L CA 1.698 56.578 54.840 0.067 0.000 0.763 248 L CB -0.546 41.513 42.059 0.000 0.000 0.908 248 L HN -0.157 nan 8.230 nan 0.000 0.437 249 K N 1.075 121.284 120.400 -0.319 0.000 2.147 249 K HA 0.082 4.402 4.320 -0.000 0.000 0.205 249 K C 2.182 178.646 176.600 -0.226 0.000 1.049 249 K CA 1.422 57.490 56.287 -0.364 0.000 0.936 249 K CB -0.689 31.398 32.500 -0.689 0.000 0.722 249 K HN 0.542 nan 8.250 nan 0.000 0.446 250 A N -0.176 122.515 122.820 -0.215 0.000 2.167 250 A HA 0.168 4.488 4.320 -0.000 0.000 0.214 250 A C 1.391 178.880 177.584 -0.159 0.000 1.151 250 A CA 1.389 53.318 52.037 -0.180 0.000 0.735 250 A CB -0.194 18.692 19.000 -0.190 0.000 0.802 250 A HN 0.383 nan 8.150 nan 0.000 0.467 251 G N -2.476 106.237 108.800 -0.144 0.000 2.163 251 G HA2 0.160 4.120 3.960 -0.000 0.000 0.213 251 G HA3 0.160 4.120 3.960 -0.000 0.000 0.213 251 G C 0.318 175.164 174.900 -0.091 0.000 0.991 251 G CA 0.110 45.126 45.100 -0.140 0.000 0.653 251 G HN 1.511 nan 8.290 nan 0.000 0.518 252 A N 0.874 123.659 122.820 -0.059 0.000 2.450 252 A HA 0.718 5.038 4.320 -0.000 0.000 0.255 252 A C 0.830 178.527 177.584 0.187 0.000 1.096 252 A CA 0.195 52.231 52.037 -0.002 0.000 0.778 252 A CB 0.139 19.000 19.000 -0.231 0.000 1.031 252 A HN 0.548 nan 8.150 nan 0.000 0.494 253 M N 2.527 122.225 119.600 0.164 0.000 2.228 253 M HA 0.234 4.714 4.480 -0.000 0.000 0.351 253 M C -0.358 176.089 176.300 0.246 0.000 1.233 253 M CA 0.517 55.892 55.300 0.126 0.000 1.129 253 M CB 0.327 32.929 32.600 0.003 0.000 1.604 253 M HN 0.539 nan 8.290 nan 0.000 0.457 254 L N 1.256 122.505 121.223 0.044 0.000 2.375 254 L HA 0.610 4.950 4.340 -0.000 0.000 0.268 254 L C 0.261 177.169 176.870 0.063 0.000 1.058 254 L CA -0.393 54.380 54.840 -0.111 0.000 0.803 254 L CB 1.869 43.645 42.059 -0.472 0.000 1.212 254 L HN 0.631 nan 8.230 nan 0.000 0.451 255 T N 0.320 114.944 114.554 0.117 0.000 2.916 255 T HA 0.223 4.573 4.350 -0.000 0.000 0.305 255 T C -0.554 174.284 174.700 0.230 0.000 1.119 255 T CA -0.343 61.907 62.100 0.250 0.000 1.008 255 T CB 1.175 70.296 68.868 0.421 0.000 1.129 255 T HN 0.576 nan 8.240 nan 0.000 0.480 256 Q N 2.033 122.031 119.800 0.331 0.000 2.437 256 Q HA -0.193 4.147 4.340 -0.000 0.000 0.274 256 Q C 0.338 176.402 176.000 0.106 0.000 1.165 256 Q CA 0.535 56.509 55.803 0.286 0.000 0.925 256 Q CB -2.006 26.876 28.738 0.240 0.000 1.327 256 Q HN 0.769 nan 8.270 nan 0.000 0.505 257 F N 1.530 121.258 119.950 -0.370 0.000 2.641 257 F HA -0.106 4.421 4.527 0.000 0.000 0.298 257 F C 2.191 177.971 175.800 -0.034 0.000 1.146 257 F CA 1.583 59.316 58.000 -0.445 0.000 1.464 257 F CB 0.373 38.831 39.000 -0.903 0.000 1.101 257 F HN 0.251 nan 8.300 nan 0.000 0.585 258 E N -0.939 119.372 120.200 0.184 0.000 2.371 258 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 258 E C 0.255 176.945 176.600 0.150 0.000 1.012 258 E CA 0.502 57.014 56.400 0.188 0.000 0.860 258 E CB -1.089 28.787 29.700 0.294 0.000 0.811 258 E HN 0.442 nan 8.360 nan 0.000 0.502 259 H N 3.196 122.190 119.070 -0.126 0.000 3.216 259 H HA 0.068 4.624 4.556 0.000 0.000 0.263 259 H C 0.495 175.648 175.328 -0.292 0.000 1.601 259 H CA -0.443 55.388 56.048 -0.362 0.000 1.509 259 H CB -0.019 29.384 29.762 -0.598 0.000 1.759 259 H HN 0.048 nan 8.280 nan 0.000 0.533 260 R N 2.804 123.078 120.500 -0.377 0.000 2.583 260 R HA 0.164 4.504 4.340 -0.000 0.000 0.268 260 R C -1.152 174.746 176.300 -0.670 0.000 1.101 260 R CA -0.535 55.286 56.100 -0.465 0.000 1.180 260 R CB 0.330 30.390 30.300 -0.400 0.000 1.128 260 R HN 0.387 nan 8.270 nan 0.000 0.568 261 F N 1.426 120.922 119.950 -0.757 0.000 2.507 261 F HA 0.446 4.973 4.527 0.000 0.000 0.325 261 F C -1.012 174.331 175.800 -0.761 0.000 1.116 261 F CA -1.971 55.444 58.000 -0.976 0.000 0.930 261 F CB 1.289 39.930 39.000 -0.597 0.000 1.146 261 F HN 0.333 nan 8.300 nan 0.000 0.447 262 I N 8.396 128.025 120.570 -1.568 0.000 2.359 262 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 262 I C -2.500 172.725 176.117 -1.487 0.000 1.018 262 I CA -2.482 58.103 61.300 -1.191 0.000 1.173 262 I CB 1.197 38.663 38.000 -0.890 0.000 1.326 262 I HN 0.351 nan 8.210 nan 0.000 0.462 263 P HA 0.192 nan 4.420 nan 0.000 0.287 263 P C -0.817 176.147 177.300 -0.561 0.000 1.281 263 P CA -0.350 61.997 63.100 -1.254 0.000 0.781 263 P CB 0.889 31.585 31.700 -1.673 0.000 0.903 264 F N 5.967 125.698 119.950 -0.364 0.000 2.390 264 F HA 0.405 4.932 4.527 -0.000 0.000 0.361 264 F C 0.048 175.820 175.800 -0.047 0.000 1.124 264 F CA -0.124 57.800 58.000 -0.126 0.000 1.149 264 F CB 0.502 39.516 39.000 0.023 0.000 1.160 264 F HN 0.197 nan 8.300 nan 0.000 0.501 265 R N 3.871 124.079 120.500 -0.487 0.000 2.906 265 R HA 0.356 4.696 4.340 -0.000 0.000 0.258 265 R C -1.369 174.740 176.300 -0.318 0.000 1.156 265 R CA -1.153 54.811 56.100 -0.227 0.000 0.996 265 R CB 0.582 30.905 30.300 0.038 0.000 1.259 265 R HN 0.497 nan 8.270 nan 0.000 0.462 266 F N 1.987 121.835 119.950 -0.170 0.000 2.572 266 F HA 0.096 4.623 4.527 -0.000 0.000 0.370 266 F C 1.583 177.254 175.800 -0.215 0.000 1.103 266 F CA 0.537 58.416 58.000 -0.202 0.000 1.286 266 F CB 0.327 39.197 39.000 -0.216 0.000 1.105 266 F HN 0.100 nan 8.300 nan 0.000 0.583 267 K N 3.076 123.409 120.400 -0.112 0.000 2.485 267 K HA -0.080 4.240 4.320 -0.000 0.000 0.277 267 K C 0.419 176.836 176.600 -0.306 0.000 0.990 267 K CA 0.337 56.515 56.287 -0.182 0.000 0.994 267 K CB 0.346 32.759 32.500 -0.146 0.000 0.906 267 K HN 0.772 nan 8.250 nan 0.000 0.488 268 D N 1.622 121.691 120.400 -0.551 0.000 3.737 268 D HA -0.232 4.408 4.640 -0.000 0.000 0.202 268 D C 1.062 176.924 176.300 -0.729 0.000 1.425 268 D CA 2.277 55.919 54.000 -0.597 0.000 2.310 268 D CB -1.336 39.303 40.800 -0.268 0.000 1.268 268 D HN 0.777 nan 8.370 nan 0.000 0.410 269 G N -1.000 107.496 108.800 -0.507 0.000 2.603 269 G HA2 0.081 4.041 3.960 -0.000 0.000 0.214 269 G HA3 0.081 4.041 3.960 -0.000 0.000 0.214 269 G C 0.460 175.214 174.900 -0.244 0.000 1.140 269 G CA 0.575 45.456 45.100 -0.366 0.000 0.800 269 G HN 0.571 nan 8.290 nan 0.000 0.533 270 Y N -0.628 119.645 120.300 -0.046 0.000 3.689 270 Y HA -0.233 4.317 4.550 0.000 0.000 0.221 270 Y C 1.704 177.628 175.900 0.041 0.000 1.247 270 Y CA -0.520 57.611 58.100 0.051 0.000 1.671 270 Y CB -1.730 36.853 38.460 0.204 0.000 1.521 270 Y HN 0.362 nan 8.280 nan 0.000 0.632 271 G N 1.462 110.200 108.800 -0.102 0.000 2.614 271 G HA2 0.293 4.253 3.960 -0.000 0.000 0.239 271 G HA3 0.293 4.253 3.960 -0.000 0.000 0.239 271 G C -2.009 172.967 174.900 0.126 0.000 1.240 271 G CA -0.749 44.092 45.100 -0.431 0.000 0.842 271 G HN 0.131 nan 8.290 nan 0.000 0.584 272 P HA 0.048 nan 4.420 nan 0.000 0.269 272 P C 0.819 178.534 177.300 0.692 0.000 1.209 272 P CA 0.040 63.422 63.100 0.471 0.000 0.776 272 P CB 1.440 33.381 31.700 0.401 0.000 0.876 273 V N -0.993 119.265 119.914 0.573 0.000 3.604 273 V HA 0.262 4.382 4.120 -0.000 0.000 0.277 273 V C 2.146 178.554 176.094 0.523 0.000 1.399 273 V CA 1.223 63.845 62.300 0.537 0.000 1.034 273 V CB -0.685 31.328 31.823 0.317 0.000 0.824 273 V HN 0.529 nan 8.190 nan 0.000 0.439 274 G N 1.380 110.466 108.800 0.477 0.000 2.491 274 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 274 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 274 G C 1.649 176.750 174.900 0.334 0.000 1.180 274 G CA 1.672 47.011 45.100 0.398 0.000 0.774 274 G HN 0.864 nan 8.290 nan 0.000 0.562 275 A N -0.123 122.843 122.820 0.243 0.000 1.898 275 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 275 A C 2.209 180.008 177.584 0.358 0.000 1.181 275 A CA 1.419 53.535 52.037 0.131 0.000 0.620 275 A CB -0.743 18.223 19.000 -0.056 0.000 0.819 275 A HN 0.526 nan 8.150 nan 0.000 0.442 276 W N -1.045 120.550 121.300 0.491 0.000 2.338 276 W HA -0.163 4.497 4.660 -0.000 0.000 0.304 276 W C 2.138 178.877 176.519 0.367 0.000 1.212 276 W CA 1.232 58.860 57.345 0.473 0.000 1.264 276 W CB -0.467 29.148 29.460 0.258 0.000 1.142 276 W HN 0.376 nan 8.180 nan 0.000 0.512 277 F N -0.486 119.795 119.950 0.551 0.000 2.074 277 F HA -0.172 4.355 4.527 -0.000 0.000 0.293 277 F C 2.193 178.151 175.800 0.264 0.000 1.116 277 F CA 0.964 59.185 58.000 0.368 0.000 1.212 277 F CB -0.749 38.436 39.000 0.308 0.000 0.998 277 F HN -0.278 nan 8.300 nan 0.000 0.471 278 L N -1.739 119.751 121.223 0.446 0.000 2.131 278 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 278 L C 2.108 179.087 176.870 0.181 0.000 1.087 278 L CA 1.021 56.015 54.840 0.256 0.000 0.767 278 L CB -0.504 41.676 42.059 0.202 0.000 0.917 278 L HN 0.136 nan 8.230 nan 0.000 0.441 279 F N -0.251 119.670 119.950 -0.048 0.000 2.274 279 F HA 0.063 4.590 4.527 -0.000 0.000 0.288 279 F C 1.884 177.493 175.800 -0.318 0.000 1.069 279 F CA 0.865 58.691 58.000 -0.289 0.000 1.343 279 F CB -0.023 38.625 39.000 -0.587 0.000 1.089 279 F HN -0.171 nan 8.300 nan 0.000 0.517 280 F N 0.966 120.975 119.950 0.099 0.000 2.797 280 F HA 0.143 4.670 4.527 0.000 0.000 0.302 280 F C 0.561 176.449 175.800 0.146 0.000 1.130 280 F CA -0.002 58.021 58.000 0.039 0.000 1.387 280 F CB -0.145 38.883 39.000 0.046 0.000 1.107 280 F HN -0.231 nan 8.300 nan 0.000 0.577 281 K N -0.616 119.967 120.400 0.304 0.000 3.071 281 K HA -0.256 4.064 4.320 -0.000 0.000 0.265 281 K C -0.057 176.756 176.600 0.355 0.000 1.060 281 K CA 0.289 56.742 56.287 0.276 0.000 0.767 281 K CB -2.617 29.977 32.500 0.157 0.000 1.241 281 K HN 0.379 nan 8.250 nan 0.000 0.486 282 C N 1.255 120.845 119.300 0.483 0.000 2.652 282 C HA 0.232 4.692 4.460 -0.000 0.000 0.412 282 C C 0.827 176.059 174.990 0.403 0.000 1.294 282 C CA -0.221 59.055 59.018 0.431 0.000 2.127 282 C CB -0.083 27.926 27.740 0.449 0.000 2.691 282 C HN 0.367 nan 8.230 nan 0.000 0.615 283 K N 3.488 124.069 120.400 0.303 0.000 2.138 283 K HA 0.651 4.971 4.320 -0.000 0.000 0.263 283 K C -0.522 176.251 176.600 0.288 0.000 0.965 283 K CA -0.217 56.234 56.287 0.273 0.000 0.868 283 K CB 1.616 34.211 32.500 0.158 0.000 1.083 283 K HN 0.766 nan 8.250 nan 0.000 0.443 284 A N 3.222 126.193 122.820 0.252 0.000 2.288 284 A HA 0.480 4.800 4.320 -0.000 0.000 0.320 284 A C -0.840 176.746 177.584 0.005 0.000 1.217 284 A CA -0.635 51.528 52.037 0.210 0.000 0.840 284 A CB 0.500 19.684 19.000 0.307 0.000 1.179 284 A HN 0.703 nan 8.150 nan 0.000 0.504 285 K N 1.404 121.965 120.400 0.269 0.000 2.482 285 K HA 0.308 4.628 4.320 -0.000 0.000 0.257 285 K C -0.278 176.594 176.600 0.455 0.000 0.969 285 K CA -0.803 55.656 56.287 0.286 0.000 0.842 285 K CB 2.305 34.977 32.500 0.288 0.000 1.359 285 K HN 0.970 nan 8.250 nan 0.000 0.441 286 N N -0.226 118.735 118.700 0.435 0.000 2.366 286 N HA 0.160 4.900 4.740 -0.000 0.000 0.277 286 N C 0.825 176.483 175.510 0.246 0.000 1.275 286 N CA -0.387 52.862 53.050 0.332 0.000 0.964 286 N CB 0.610 39.274 38.487 0.295 0.000 1.167 286 N HN 0.495 nan 8.380 nan 0.000 0.568 287 A N -0.571 122.277 122.820 0.047 0.000 2.076 287 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 287 A C 0.652 178.038 177.584 -0.329 0.000 1.160 287 A CA 0.902 52.850 52.037 -0.149 0.000 0.653 287 A CB -0.963 17.769 19.000 -0.447 0.000 0.801 287 A HN 0.713 nan 8.150 nan 0.000 0.455 288 Y N -0.922 119.474 120.300 0.160 0.000 2.708 288 Y HA 0.413 4.963 4.550 -0.000 0.000 0.287 288 Y C 1.612 177.570 175.900 0.096 0.000 1.145 288 Y CA 0.004 58.169 58.100 0.108 0.000 1.249 288 Y CB -0.139 38.371 38.460 0.083 0.000 1.152 288 Y HN 0.349 nan 8.280 nan 0.000 0.532 289 G N 0.472 109.385 108.800 0.189 0.000 2.168 289 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 289 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 289 G C -0.106 174.865 174.900 0.118 0.000 0.997 289 G CA 0.006 45.179 45.100 0.122 0.000 0.708 289 G HN 0.490 nan 8.290 nan 0.000 0.520 290 E N 0.324 120.634 120.200 0.183 0.000 2.229 290 E HA 0.345 4.695 4.350 -0.000 0.000 0.283 290 E C 0.171 176.847 176.600 0.128 0.000 1.030 290 E CA -0.423 56.069 56.400 0.153 0.000 0.836 290 E CB 1.061 30.876 29.700 0.190 0.000 1.068 290 E HN 0.460 nan 8.360 nan 0.000 0.401 291 E N 3.674 123.896 120.200 0.037 0.000 1.893 291 E HA -0.013 4.337 4.350 -0.000 0.000 0.269 291 E C 0.143 176.691 176.600 -0.087 0.000 1.129 291 E CA -0.276 56.071 56.400 -0.089 0.000 0.904 291 E CB 0.087 29.747 29.700 -0.067 0.000 1.077 291 E HN 0.588 nan 8.360 nan 0.000 0.407 292 Y N 4.012 124.347 120.300 0.059 0.000 2.483 292 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 292 Y C 1.500 177.402 175.900 0.004 0.000 1.143 292 Y CA 0.866 58.983 58.100 0.029 0.000 1.289 292 Y CB -0.940 37.531 38.460 0.019 0.000 0.983 292 Y HN 0.543 nan 8.280 nan 0.000 0.556 293 I N -1.244 119.267 120.570 -0.099 0.000 2.567 293 I HA -0.143 4.027 4.170 -0.000 0.000 0.257 293 I C 1.950 178.078 176.117 0.018 0.000 1.184 293 I CA 1.505 62.797 61.300 -0.014 0.000 1.451 293 I CB -0.392 37.541 38.000 -0.112 0.000 1.089 293 I HN 0.126 nan 8.210 nan 0.000 0.441 294 K N 1.159 121.564 120.400 0.008 0.000 2.190 294 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 294 K C 2.286 178.916 176.600 0.050 0.000 1.045 294 K CA 1.485 57.788 56.287 0.026 0.000 0.976 294 K CB -0.113 32.394 32.500 0.012 0.000 0.849 294 K HN 0.470 nan 8.250 nan 0.000 0.468 295 T N -0.356 114.239 114.554 0.068 0.000 2.962 295 T HA -0.007 4.343 4.350 -0.000 0.000 0.270 295 T C 1.558 176.306 174.700 0.079 0.000 1.088 295 T CA 0.665 62.810 62.100 0.076 0.000 1.127 295 T CB 0.068 68.993 68.868 0.095 0.000 0.883 295 T HN -0.063 nan 8.240 nan 0.000 0.493 296 R N 0.400 120.958 120.500 0.097 0.000 2.507 296 R HA 0.551 4.891 4.340 -0.000 0.000 0.298 296 R C 2.137 178.486 176.300 0.082 0.000 0.999 296 R CA 0.477 56.626 56.100 0.081 0.000 1.082 296 R CB -0.443 29.904 30.300 0.079 0.000 1.246 296 R HN 0.524 nan 8.270 nan 0.000 0.553 297 A N 1.150 124.016 122.820 0.076 0.000 1.933 297 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 297 A C 2.277 179.911 177.584 0.084 0.000 1.175 297 A CA 1.745 53.828 52.037 0.077 0.000 0.628 297 A CB -0.272 18.765 19.000 0.061 0.000 0.814 297 A HN 0.290 nan 8.150 nan 0.000 0.444 298 A N -0.126 122.736 122.820 0.071 0.000 1.940 298 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 298 A C 1.797 179.432 177.584 0.085 0.000 1.176 298 A CA 1.974 54.050 52.037 0.065 0.000 0.631 298 A CB -0.519 18.510 19.000 0.048 0.000 0.814 298 A HN 0.508 nan 8.150 nan 0.000 0.446 299 E N -0.186 120.077 120.200 0.105 0.000 2.333 299 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 299 E C 1.539 178.289 176.600 0.249 0.000 1.007 299 E CA 0.676 57.171 56.400 0.158 0.000 0.845 299 E CB -0.211 29.585 29.700 0.159 0.000 0.766 299 E HN 0.687 nan 8.360 nan 0.000 0.507 300 L N -0.126 121.233 121.223 0.226 0.000 2.529 300 L HA 0.094 4.434 4.340 -0.000 0.000 0.223 300 L C 1.656 178.671 176.870 0.242 0.000 1.113 300 L CA 0.242 55.264 54.840 0.304 0.000 0.861 300 L CB -0.089 42.095 42.059 0.209 0.000 1.012 300 L HN 0.090 nan 8.230 nan 0.000 0.461 301 E N 1.492 121.771 120.200 0.131 0.000 2.204 301 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 301 E C 1.930 178.536 176.600 0.009 0.000 0.990 301 E CA 1.214 57.655 56.400 0.068 0.000 0.821 301 E CB 0.031 29.756 29.700 0.041 0.000 0.750 301 E HN 0.549 nan 8.360 nan 0.000 0.477 302 K N 0.250 120.616 120.400 -0.057 0.000 2.283 302 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 302 K C 0.034 176.439 176.600 -0.324 0.000 1.048 302 K CA 0.830 56.981 56.287 -0.226 0.000 0.948 302 K CB -0.200 32.089 32.500 -0.353 0.000 0.742 302 K HN 0.067 nan 8.250 nan 0.000 0.458 303 Y N 2.627 122.931 120.300 0.005 0.000 2.452 303 Y HA 0.225 4.775 4.550 -0.000 0.000 0.348 303 Y C -0.267 175.621 175.900 -0.020 0.000 0.985 303 Y CA -0.542 57.581 58.100 0.039 0.000 1.214 303 Y CB 0.995 39.500 38.460 0.075 0.000 1.136 303 Y HN -0.123 nan 8.280 nan 0.000 0.523 304 K N 5.486 125.882 120.400 -0.006 0.000 2.323 304 K HA 0.306 4.626 4.320 -0.000 0.000 0.259 304 K C -2.194 174.041 176.600 -0.608 0.000 0.947 304 K CA -1.800 54.335 56.287 -0.253 0.000 0.819 304 K CB 2.078 34.464 32.500 -0.189 0.000 1.109 304 K HN 0.318 nan 8.250 nan 0.000 0.429 305 P HA 0.004 nan 4.420 nan 0.000 0.261 305 P C 0.257 177.131 177.300 -0.709 0.000 1.268 305 P CA 0.190 62.729 63.100 -0.935 0.000 0.833 305 P CB 0.181 30.942 31.700 -1.566 0.000 1.231 306 Y N 1.251 121.442 120.300 -0.183 0.000 2.139 306 Y HA -0.182 4.368 4.550 -0.000 0.000 0.282 306 Y C 2.822 178.738 175.900 0.026 0.000 1.179 306 Y CA 1.544 59.613 58.100 -0.051 0.000 1.161 306 Y CB -1.875 36.550 38.460 -0.058 0.000 0.970 306 Y HN 0.020 nan 8.280 nan 0.000 0.511 307 G N -0.615 108.300 108.800 0.191 0.000 2.509 307 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 307 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 307 G C 1.474 176.468 174.900 0.156 0.000 1.124 307 G CA 0.672 45.880 45.100 0.180 0.000 0.776 307 G HN 0.496 nan 8.290 nan 0.000 0.547 308 A N -0.413 122.505 122.820 0.164 0.000 2.348 308 A HA 0.778 5.098 4.320 -0.000 0.000 0.224 308 A C 1.325 179.170 177.584 0.435 0.000 1.227 308 A CA 0.657 52.852 52.037 0.262 0.000 0.885 308 A CB 0.023 19.185 19.000 0.270 0.000 0.933 308 A HN 0.576 nan 8.150 nan 0.000 0.506 309 A N -0.104 122.972 122.820 0.426 0.000 2.386 309 A HA 0.572 4.892 4.320 -0.000 0.000 0.248 309 A C -0.074 177.631 177.584 0.201 0.000 1.082 309 A CA 0.046 52.327 52.037 0.407 0.000 0.789 309 A CB 0.285 19.530 19.000 0.409 0.000 1.025 309 A HN 0.289 nan 8.150 nan 0.000 0.490 310 Q N 1.533 121.410 119.800 0.129 0.000 2.275 310 Q HA 0.389 4.729 4.340 -0.000 0.000 0.266 310 Q C -2.402 173.674 176.000 0.126 0.000 1.002 310 Q CA -1.291 54.571 55.803 0.098 0.000 0.761 310 Q CB 1.822 30.587 28.738 0.044 0.000 1.255 310 Q HN 0.799 nan 8.270 nan 0.000 0.446 311 P HA 0.281 nan 4.420 nan 0.000 0.272 311 P C -0.048 177.346 177.300 0.157 0.000 1.240 311 P CA -0.403 62.794 63.100 0.161 0.000 0.791 311 P CB 1.098 32.926 31.700 0.214 0.000 0.978 312 I N 1.727 122.365 120.570 0.112 0.000 2.648 312 I HA 0.057 4.227 4.170 -0.000 0.000 0.284 312 I C -1.848 174.321 176.117 0.086 0.000 1.153 312 I CA -1.792 59.565 61.300 0.095 0.000 1.426 312 I CB -0.017 38.018 38.000 0.058 0.000 1.381 312 I HN 0.203 nan 8.210 nan 0.000 0.571 313 P HA -0.020 nan 4.420 nan 0.000 0.264 313 P C 0.636 177.943 177.300 0.011 0.000 1.183 313 P CA 0.249 63.364 63.100 0.025 0.000 0.763 313 P CB 0.476 32.164 31.700 -0.020 0.000 0.807 314 T N 4.883 119.480 114.554 0.072 0.000 2.699 314 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 314 T C -0.734 173.947 174.700 -0.031 0.000 1.036 314 T CA 1.915 64.091 62.100 0.127 0.000 1.147 314 T CB -1.626 67.444 68.868 0.337 0.000 0.862 314 T HN 0.568 nan 8.240 nan 0.000 0.446 315 P HA 0.001 nan 4.420 nan 0.000 0.218 315 P C 1.581 178.665 177.300 -0.361 0.000 1.149 315 P CA 0.952 63.604 63.100 -0.747 0.000 0.817 315 P CB -0.240 30.828 31.700 -1.053 0.000 0.785 316 L N -1.155 119.914 121.223 -0.258 0.000 2.156 316 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 316 L C 2.959 179.811 176.870 -0.030 0.000 1.095 316 L CA 1.049 55.793 54.840 -0.161 0.000 0.770 316 L CB -0.626 41.337 42.059 -0.159 0.000 0.914 316 L HN -0.112 nan 8.230 nan 0.000 0.439 317 R N 0.287 120.765 120.500 -0.037 0.000 2.075 317 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 317 R C 1.850 178.120 176.300 -0.050 0.000 1.126 317 R CA 1.140 57.224 56.100 -0.027 0.000 0.963 317 R CB -0.920 29.357 30.300 -0.038 0.000 0.858 317 R HN 0.545 nan 8.270 nan 0.000 0.435 318 N N -0.083 118.591 118.700 -0.043 0.000 2.120 318 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 318 N C 1.772 177.276 175.510 -0.010 0.000 1.024 318 N CA 0.966 53.990 53.050 -0.044 0.000 0.852 318 N CB -0.185 38.301 38.487 -0.002 0.000 1.003 318 N HN 0.268 nan 8.380 nan 0.000 0.424 319 H N 1.678 120.694 119.070 -0.090 0.000 2.352 319 H HA -0.077 4.479 4.556 0.000 0.000 0.299 319 H C 1.942 177.273 175.328 0.005 0.000 1.097 319 H CA 1.794 57.841 56.048 -0.001 0.000 1.311 319 H CB -0.058 29.677 29.762 -0.044 0.000 1.377 319 H HN 0.260 nan 8.280 nan 0.000 0.504 320 Q N -0.348 119.385 119.800 -0.112 0.000 2.135 320 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 320 Q C 2.559 178.372 176.000 -0.312 0.000 0.981 320 Q CA 1.980 57.684 55.803 -0.165 0.000 0.856 320 Q CB -0.116 28.642 28.738 0.033 0.000 0.902 320 Q HN 0.577 nan 8.270 nan 0.000 0.425 321 V N -2.298 117.393 119.914 -0.370 0.000 2.591 321 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 321 V C 1.964 177.904 176.094 -0.256 0.000 1.053 321 V CA 1.013 62.985 62.300 -0.547 0.000 1.068 321 V CB -0.345 31.189 31.823 -0.482 0.000 0.689 321 V HN 0.217 nan 8.190 nan 0.000 0.462 322 M N 0.228 119.760 119.600 -0.114 0.000 2.159 322 M HA -0.009 4.471 4.480 -0.000 0.000 0.263 322 M C 2.250 178.504 176.300 -0.077 0.000 1.063 322 M CA 1.690 56.995 55.300 0.008 0.000 1.110 322 M CB -1.336 31.384 32.600 0.201 0.000 1.374 322 M HN 0.400 nan 8.290 nan 0.000 0.411 323 L N -0.420 120.692 121.223 -0.184 0.000 2.046 323 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 323 L C 2.581 179.376 176.870 -0.125 0.000 1.077 323 L CA 0.994 55.726 54.840 -0.180 0.000 0.747 323 L CB -0.631 41.280 42.059 -0.247 0.000 0.896 323 L HN 0.266 nan 8.230 nan 0.000 0.432 324 E N 0.330 120.431 120.200 -0.165 0.000 2.077 324 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 324 E C 2.282 178.843 176.600 -0.065 0.000 0.989 324 E CA 1.247 57.574 56.400 -0.121 0.000 0.800 324 E CB -0.169 29.382 29.700 -0.248 0.000 0.746 324 E HN 0.520 nan 8.360 nan 0.000 0.452 325 I N 0.594 121.120 120.570 -0.073 0.000 2.226 325 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 325 I C 2.571 178.677 176.117 -0.019 0.000 1.100 325 I CA 1.007 62.292 61.300 -0.025 0.000 1.374 325 I CB -0.255 37.749 38.000 0.007 0.000 1.057 325 I HN 0.077 nan 8.210 nan 0.000 0.413 326 M N -0.019 119.561 119.600 -0.033 0.000 2.213 326 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 326 M C 1.302 177.586 176.300 -0.026 0.000 1.062 326 M CA 1.505 56.782 55.300 -0.038 0.000 1.105 326 M CB -0.383 32.178 32.600 -0.064 0.000 1.385 326 M HN 0.138 nan 8.290 nan 0.000 0.417 327 D N -0.146 120.242 120.400 -0.019 0.000 2.347 327 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 327 D C 1.154 177.472 176.300 0.030 0.000 0.976 327 D CA 0.948 54.950 54.000 0.002 0.000 0.884 327 D CB 0.006 40.811 40.800 0.008 0.000 0.915 327 D HN 0.500 nan 8.370 nan 0.000 0.526 328 G N 1.440 110.257 108.800 0.028 0.000 2.204 328 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 328 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 328 G C 0.374 175.331 174.900 0.094 0.000 1.062 328 G CA -0.244 44.884 45.100 0.046 0.000 0.798 328 G HN 0.188 nan 8.290 nan 0.000 0.496 329 N N 0.393 119.151 118.700 0.097 0.000 2.327 329 N HA 0.112 4.852 4.740 -0.000 0.000 0.231 329 N C 0.908 176.439 175.510 0.036 0.000 1.130 329 N CA 0.237 53.381 53.050 0.157 0.000 0.845 329 N CB 0.350 38.971 38.487 0.222 0.000 1.073 329 N HN 0.703 nan 8.380 nan 0.000 0.496 330 Q N 0.661 120.458 119.800 -0.004 0.000 2.317 330 Q HA 0.335 4.675 4.340 -0.000 0.000 0.229 330 Q C -2.156 173.791 176.000 -0.088 0.000 0.984 330 Q CA -1.475 54.296 55.803 -0.054 0.000 0.911 330 Q CB 0.390 29.097 28.738 -0.052 0.000 1.217 330 Q HN 0.085 nan 8.270 nan 0.000 0.501 331 P HA 0.126 nan 4.420 nan 0.000 0.274 331 P C -0.870 176.245 177.300 -0.308 0.000 1.231 331 P CA 0.074 62.991 63.100 -0.304 0.000 0.790 331 P CB 0.536 31.892 31.700 -0.574 0.000 0.951 332 I N 2.234 122.641 120.570 -0.271 0.000 2.331 332 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 332 I C -0.347 175.646 176.117 -0.208 0.000 0.998 332 I CA -0.504 60.778 61.300 -0.029 0.000 1.267 332 I CB 0.488 38.589 38.000 0.167 0.000 1.386 332 I HN 0.303 nan 8.210 nan 0.000 0.476 333 Y N 5.601 125.950 120.300 0.082 0.000 2.429 333 Y HA 0.475 5.025 4.550 -0.000 0.000 0.342 333 Y C 0.073 175.893 175.900 -0.132 0.000 1.004 333 Y CA -1.039 56.992 58.100 -0.114 0.000 1.075 333 Y CB 1.777 40.037 38.460 -0.334 0.000 1.214 333 Y HN 0.316 nan 8.280 nan 0.000 0.455 334 M N 3.729 123.263 119.600 -0.109 0.000 2.055 334 M HA 0.171 4.651 4.480 -0.000 0.000 0.347 334 M C -0.513 175.648 176.300 -0.231 0.000 1.123 334 M CA -0.310 54.864 55.300 -0.210 0.000 1.035 334 M CB 0.235 32.484 32.600 -0.585 0.000 1.484 334 M HN 0.659 nan 8.290 nan 0.000 0.428 335 H N 3.291 122.350 119.070 -0.018 0.000 2.970 335 H HA 0.071 4.627 4.556 -0.000 0.000 0.226 335 H C 1.339 176.627 175.328 -0.065 0.000 1.909 335 H CA 0.257 56.286 56.048 -0.031 0.000 1.388 335 H CB -0.245 29.522 29.762 0.009 0.000 1.773 335 H HN 0.677 nan 8.280 nan 0.000 0.559 336 T N -1.342 113.100 114.554 -0.187 0.000 2.803 336 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 336 T C 1.835 176.530 174.700 -0.009 0.000 1.052 336 T CA 1.214 63.114 62.100 -0.332 0.000 1.136 336 T CB 0.211 68.590 68.868 -0.816 0.000 0.864 336 T HN 0.559 nan 8.240 nan 0.000 0.467 337 E N 2.179 122.376 120.200 -0.006 0.000 2.077 337 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 337 E C 1.840 178.498 176.600 0.096 0.000 0.989 337 E CA 1.574 58.003 56.400 0.047 0.000 0.800 337 E CB -0.471 29.239 29.700 0.017 0.000 0.746 337 E HN 0.739 nan 8.360 nan 0.000 0.452 338 E N 0.733 121.004 120.200 0.118 0.000 2.158 338 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 338 E C 2.102 178.790 176.600 0.148 0.000 0.982 338 E CA 0.820 57.285 56.400 0.108 0.000 0.823 338 E CB -0.041 29.705 29.700 0.076 0.000 0.766 338 E HN 0.430 nan 8.360 nan 0.000 0.468 339 A N 1.173 124.119 122.820 0.210 0.000 1.898 339 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 339 A C 2.151 179.906 177.584 0.286 0.000 1.181 339 A CA 0.967 53.178 52.037 0.290 0.000 0.620 339 A CB -0.543 18.728 19.000 0.452 0.000 0.819 339 A HN 0.122 nan 8.150 nan 0.000 0.442 340 L N -0.853 120.540 121.223 0.283 0.000 2.056 340 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 340 L C 3.102 180.076 176.870 0.173 0.000 1.078 340 L CA 0.984 55.970 54.840 0.244 0.000 0.749 340 L CB -0.586 41.624 42.059 0.252 0.000 0.901 340 L HN 0.436 nan 8.230 nan 0.000 0.433 341 A N 0.124 123.026 122.820 0.136 0.000 1.902 341 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 341 A C 2.160 179.798 177.584 0.091 0.000 1.181 341 A CA 1.688 53.782 52.037 0.095 0.000 0.623 341 A CB -0.414 18.628 19.000 0.071 0.000 0.818 341 A HN 0.453 nan 8.150 nan 0.000 0.443 342 E N -0.912 119.349 120.200 0.102 0.000 2.106 342 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 342 E C 1.893 178.547 176.600 0.089 0.000 0.984 342 E CA 1.006 57.458 56.400 0.087 0.000 0.806 342 E CB -0.178 29.576 29.700 0.089 0.000 0.750 342 E HN 0.481 nan 8.360 nan 0.000 0.458 343 L N 0.773 122.068 121.223 0.119 0.000 2.109 343 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 343 L C 2.151 179.080 176.870 0.098 0.000 1.086 343 L CA 1.681 56.585 54.840 0.107 0.000 0.760 343 L CB -0.467 41.686 42.059 0.158 0.000 0.910 343 L HN 0.013 nan 8.230 nan 0.000 0.437 344 A N -0.584 122.303 122.820 0.112 0.000 1.930 344 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 344 A C 1.822 179.447 177.584 0.069 0.000 1.175 344 A CA 1.007 53.103 52.037 0.098 0.000 0.627 344 A CB -1.218 17.843 19.000 0.100 0.000 0.815 344 A HN 0.840 nan 8.150 nan 0.000 0.443 345 G N -2.157 106.679 108.800 0.061 0.000 2.249 345 G HA2 0.132 4.092 3.960 -0.000 0.000 0.273 345 G HA3 0.132 4.092 3.960 -0.000 0.000 0.273 345 G C 1.508 176.429 174.900 0.036 0.000 1.036 345 G CA 1.053 46.180 45.100 0.044 0.000 0.824 345 G HN 2.113 nan 8.290 nan 0.000 0.504 346 G N -1.098 107.724 108.800 0.037 0.000 2.217 346 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 346 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 346 G C 0.234 175.150 174.900 0.026 0.000 0.990 346 G CA 0.844 45.960 45.100 0.027 0.000 0.627 346 G HN 1.230 nan 8.290 nan 0.000 0.522 347 D N 1.026 121.446 120.400 0.034 0.000 2.352 347 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 347 D C 1.571 177.894 176.300 0.038 0.000 1.224 347 D CA -0.124 53.897 54.000 0.034 0.000 0.879 347 D CB 0.517 41.341 40.800 0.040 0.000 1.057 347 D HN 0.407 nan 8.370 nan 0.000 0.491 348 K N 2.558 122.973 120.400 0.024 0.000 2.097 348 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 348 K C 1.752 178.370 176.600 0.030 0.000 1.049 348 K CA 0.894 57.191 56.287 0.018 0.000 0.933 348 K CB 0.383 32.883 32.500 0.002 0.000 0.717 348 K HN 0.338 nan 8.250 nan 0.000 0.442 349 K N 0.968 121.388 120.400 0.033 0.000 2.097 349 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 349 K C 2.123 178.775 176.600 0.086 0.000 1.050 349 K CA 1.019 57.333 56.287 0.044 0.000 0.938 349 K CB 0.004 32.518 32.500 0.023 0.000 0.718 349 K HN 0.056 nan 8.250 nan 0.000 0.442 350 K N 1.138 121.591 120.400 0.089 0.000 2.097 350 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 350 K C 2.152 178.862 176.600 0.183 0.000 1.049 350 K CA 0.780 57.151 56.287 0.141 0.000 0.933 350 K CB -0.051 32.514 32.500 0.108 0.000 0.717 350 K HN -0.020 nan 8.250 nan 0.000 0.442 351 L N 1.939 123.240 121.223 0.129 0.000 2.017 351 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 351 L C 2.221 179.188 176.870 0.161 0.000 1.073 351 L CA 1.926 56.844 54.840 0.131 0.000 0.745 351 L CB -0.587 41.510 42.059 0.062 0.000 0.894 351 L HN 0.115 nan 8.230 nan 0.000 0.432 352 K N -1.762 118.711 120.400 0.122 0.000 2.103 352 K HA -0.301 4.019 4.320 -0.000 0.000 0.207 352 K C 2.298 179.044 176.600 0.243 0.000 1.048 352 K CA 1.718 58.089 56.287 0.140 0.000 0.930 352 K CB -0.293 32.258 32.500 0.084 0.000 0.716 352 K HN 0.583 nan 8.250 nan 0.000 0.444 353 H N 1.423 120.574 119.070 0.135 0.000 2.293 353 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 353 H C 1.891 177.345 175.328 0.211 0.000 1.082 353 H CA 2.347 58.477 56.048 0.136 0.000 1.308 353 H CB -0.275 29.548 29.762 0.102 0.000 1.375 353 H HN 0.388 nan 8.280 nan 0.000 0.495 354 I N -1.961 118.701 120.570 0.153 0.000 2.676 354 I HA -0.146 4.024 4.170 -0.000 0.000 0.259 354 I C 1.998 178.257 176.117 0.237 0.000 1.194 354 I CA 1.248 62.681 61.300 0.221 0.000 1.473 354 I CB -0.679 37.533 38.000 0.353 0.000 1.096 354 I HN 0.151 nan 8.210 nan 0.000 0.443 355 Y N 2.440 122.806 120.300 0.110 0.000 2.200 355 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 355 Y C 2.441 178.461 175.900 0.200 0.000 1.137 355 Y CA 1.887 60.073 58.100 0.144 0.000 1.163 355 Y CB -0.160 38.385 38.460 0.141 0.000 0.988 355 Y HN 0.247 nan 8.280 nan 0.000 0.518 356 E N -0.229 120.110 120.200 0.233 0.000 2.106 356 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 356 E C 1.992 178.650 176.600 0.097 0.000 0.984 356 E CA 1.320 57.800 56.400 0.134 0.000 0.806 356 E CB -0.141 29.621 29.700 0.103 0.000 0.750 356 E HN 0.624 nan 8.360 nan 0.000 0.458 357 E N 0.785 121.031 120.200 0.076 0.000 2.110 357 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 357 E C 2.108 178.852 176.600 0.241 0.000 0.988 357 E CA 0.868 57.391 56.400 0.204 0.000 0.804 357 E CB -0.093 29.810 29.700 0.339 0.000 0.745 357 E HN 0.221 nan 8.360 nan 0.000 0.458 358 A N 0.695 123.517 122.820 0.004 0.000 1.877 358 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 358 A C 1.883 179.218 177.584 -0.415 0.000 1.186 358 A CA 1.163 52.913 52.037 -0.478 0.000 0.620 358 A CB -0.744 17.815 19.000 -0.736 0.000 0.822 358 A HN 0.187 nan 8.150 nan 0.000 0.443 359 F N -0.089 119.704 119.950 -0.260 0.000 2.234 359 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 359 F C 2.331 178.103 175.800 -0.045 0.000 1.087 359 F CA 1.621 59.521 58.000 -0.167 0.000 1.340 359 F CB -0.134 38.793 39.000 -0.121 0.000 1.031 359 F HN 0.444 nan 8.300 nan 0.000 0.500 360 E N 0.321 120.620 120.200 0.166 0.000 2.106 360 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 360 E C 1.792 178.492 176.600 0.166 0.000 0.984 360 E CA 1.457 57.973 56.400 0.193 0.000 0.806 360 E CB -0.206 29.642 29.700 0.248 0.000 0.750 360 E HN 0.331 nan 8.360 nan 0.000 0.458 361 D N -0.674 119.777 120.400 0.085 0.000 2.190 361 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 361 D C 1.445 177.865 176.300 0.200 0.000 0.992 361 D CA 1.234 55.264 54.000 0.050 0.000 0.854 361 D CB -0.128 40.617 40.800 -0.091 0.000 0.936 361 D HN 0.345 nan 8.370 nan 0.000 0.462 362 F N -0.634 119.266 119.950 -0.083 0.000 2.274 362 F HA 0.087 4.614 4.527 -0.000 0.000 0.288 362 F C 2.117 177.881 175.800 -0.061 0.000 1.069 362 F CA -0.095 57.815 58.000 -0.149 0.000 1.343 362 F CB 0.038 38.828 39.000 -0.350 0.000 1.089 362 F HN -0.101 nan 8.300 nan 0.000 0.517 363 L N -0.095 121.257 121.223 0.215 0.000 2.353 363 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 363 L C 0.968 177.911 176.870 0.121 0.000 1.133 363 L CA 0.821 55.753 54.840 0.154 0.000 0.798 363 L CB -0.472 41.691 42.059 0.174 0.000 0.922 363 L HN 0.068 nan 8.230 nan 0.000 0.445 364 D N -0.563 119.916 120.400 0.131 0.000 2.349 364 D HA -0.000 4.640 4.640 -0.000 0.000 0.215 364 D C 1.715 178.066 176.300 0.085 0.000 1.016 364 D CA 0.695 54.762 54.000 0.112 0.000 0.870 364 D CB 0.512 41.388 40.800 0.127 0.000 0.917 364 D HN 0.494 nan 8.370 nan 0.000 0.524 365 M N -4.549 115.095 119.600 0.075 0.000 1.848 365 M HA 0.179 4.659 4.480 -0.000 0.000 0.328 365 M C -0.397 175.903 176.300 -0.000 0.000 0.897 365 M CA 0.004 55.331 55.300 0.043 0.000 1.130 365 M CB 1.440 34.073 32.600 0.056 0.000 2.171 365 M HN -0.314 nan 8.290 nan 0.000 0.762 366 T N 1.701 116.241 114.554 -0.024 0.000 3.296 366 T HA 0.356 4.706 4.350 -0.000 0.000 0.333 366 T C 0.796 175.401 174.700 -0.158 0.000 1.280 366 T CA -0.391 61.644 62.100 -0.108 0.000 1.558 366 T CB 1.456 70.228 68.868 -0.160 0.000 0.929 366 T HN 0.068 nan 8.240 nan 0.000 0.596 367 V N 0.944 120.814 119.914 -0.074 0.000 2.469 367 V HA -0.184 3.936 4.120 -0.000 0.000 0.251 367 V C 2.567 178.596 176.094 -0.108 0.000 1.064 367 V CA 1.912 64.181 62.300 -0.051 0.000 1.066 367 V CB -0.603 31.220 31.823 0.001 0.000 0.667 367 V HN 0.702 nan 8.190 nan 0.000 0.461 368 S N -0.487 115.133 115.700 -0.133 0.000 2.402 368 S HA -0.321 4.149 4.470 -0.000 0.000 0.233 368 S C 2.022 176.470 174.600 -0.253 0.000 1.030 368 S CA 1.913 60.024 58.200 -0.148 0.000 1.003 368 S CB -0.323 62.798 63.200 -0.131 0.000 0.813 368 S HN 0.646 nan 8.310 nan 0.000 0.477 369 Q N 1.331 120.859 119.800 -0.453 0.000 2.172 369 Q HA 0.140 4.480 4.340 -0.000 0.000 0.200 369 Q C 2.025 177.608 176.000 -0.694 0.000 0.964 369 Q CA 1.468 56.808 55.803 -0.772 0.000 0.855 369 Q CB -0.548 27.301 28.738 -1.482 0.000 0.918 369 Q HN 0.482 nan 8.270 nan 0.000 0.444 370 A N -0.069 122.522 122.820 -0.383 0.000 1.929 370 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 370 A C 1.939 179.583 177.584 0.100 0.000 1.176 370 A CA 1.265 53.289 52.037 -0.023 0.000 0.628 370 A CB -0.722 18.379 19.000 0.169 0.000 0.816 370 A HN 0.450 nan 8.150 nan 0.000 0.444 371 L N -0.351 120.881 121.223 0.015 0.000 2.083 371 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 371 L C 2.255 179.161 176.870 0.061 0.000 1.083 371 L CA 1.821 56.691 54.840 0.050 0.000 0.752 371 L CB -0.496 41.568 42.059 0.008 0.000 0.899 371 L HN 0.471 nan 8.230 nan 0.000 0.433 372 L N -1.922 119.297 121.223 -0.006 0.000 2.017 372 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 372 L C 2.323 179.312 176.870 0.198 0.000 1.073 372 L CA 1.410 56.269 54.840 0.032 0.000 0.745 372 L CB -0.443 41.574 42.059 -0.071 0.000 0.894 372 L HN 0.351 nan 8.230 nan 0.000 0.432 373 W N 0.205 121.515 121.300 0.017 0.000 2.338 373 W HA -0.191 4.469 4.660 0.000 0.000 0.304 373 W C 2.747 179.319 176.519 0.088 0.000 1.212 373 W CA 1.382 58.762 57.345 0.059 0.000 1.264 373 W CB -1.230 28.282 29.460 0.086 0.000 1.142 373 W HN 0.343 nan 8.180 nan 0.000 0.512 374 A N -0.706 122.317 122.820 0.337 0.000 1.877 374 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 374 A C 2.134 179.805 177.584 0.146 0.000 1.186 374 A CA 2.014 54.184 52.037 0.222 0.000 0.620 374 A CB -1.326 17.787 19.000 0.188 0.000 0.822 374 A HN 0.281 nan 8.150 nan 0.000 0.443 375 C N -0.948 118.427 119.300 0.126 0.000 2.435 375 C HA -0.048 4.412 4.460 -0.000 0.000 0.279 375 C C 2.433 177.472 174.990 0.081 0.000 1.321 375 C CA 1.087 60.157 59.018 0.085 0.000 1.752 375 C CB -1.235 26.543 27.740 0.063 0.000 1.959 375 C HN 0.653 nan 8.230 nan 0.000 0.500 376 Q N 0.359 120.222 119.800 0.105 0.000 2.220 376 Q HA 0.121 4.461 4.340 -0.000 0.000 0.205 376 Q C -0.216 175.828 176.000 0.072 0.000 0.865 376 Q CA -0.178 55.677 55.803 0.086 0.000 0.960 376 Q CB 0.072 28.872 28.738 0.103 0.000 1.097 376 Q HN 0.523 nan 8.270 nan 0.000 0.493 377 N N 0.937 119.685 118.700 0.080 0.000 2.725 377 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 377 N C -1.096 174.423 175.510 0.015 0.000 1.031 377 N CA 0.993 54.076 53.050 0.055 0.000 0.720 377 N CB -1.242 37.267 38.487 0.037 0.000 0.930 377 N HN 0.375 nan 8.380 nan 0.000 0.543 378 I N 0.358 120.924 120.570 -0.006 0.000 2.312 378 I HA 0.122 4.292 4.170 -0.000 0.000 0.290 378 I C 0.346 176.279 176.117 -0.307 0.000 1.008 378 I CA -0.591 60.598 61.300 -0.184 0.000 1.226 378 I CB 1.255 39.076 38.000 -0.299 0.000 1.371 378 I HN -0.095 nan 8.210 nan 0.000 0.468 379 D N 9.803 130.069 120.400 -0.224 0.000 2.373 379 D HA 0.234 4.874 4.640 -0.000 0.000 0.227 379 D C -1.516 174.625 176.300 -0.264 0.000 1.091 379 D CA -2.467 51.455 54.000 -0.129 0.000 0.840 379 D CB 1.835 42.643 40.800 0.014 0.000 1.060 379 D HN 0.206 nan 8.370 nan 0.000 0.502 380 P HA -0.213 nan 4.420 nan 0.000 0.220 380 P C 0.921 178.172 177.300 -0.081 0.000 1.144 380 P CA 1.185 64.008 63.100 -0.462 0.000 0.800 380 P CB 0.169 31.493 31.700 -0.627 0.000 0.772 381 Q N -1.324 118.543 119.800 0.112 0.000 2.432 381 Q HA 0.002 4.342 4.340 -0.000 0.000 0.205 381 Q C 1.535 177.547 176.000 0.020 0.000 0.945 381 Q CA 0.621 56.492 55.803 0.112 0.000 0.924 381 Q CB -0.157 28.644 28.738 0.105 0.000 1.016 381 Q HN 0.176 nan 8.270 nan 0.000 0.503 382 E N 0.904 121.091 120.200 -0.022 0.000 2.256 382 E HA 0.057 4.407 4.350 -0.000 0.000 0.198 382 E C 0.479 177.044 176.600 -0.058 0.000 0.908 382 E CA 0.626 57.003 56.400 -0.037 0.000 0.915 382 E CB 0.547 30.224 29.700 -0.038 0.000 0.890 382 E HN 0.481 nan 8.360 nan 0.000 0.484 383 Q N 0.920 120.657 119.800 -0.104 0.000 2.423 383 Q HA 0.487 4.827 4.340 -0.000 0.000 0.278 383 Q C -2.806 173.095 176.000 -0.164 0.000 1.097 383 Q CA -2.399 53.333 55.803 -0.118 0.000 0.809 383 Q CB 2.333 31.007 28.738 -0.107 0.000 1.391 383 Q HN -0.178 nan 8.270 nan 0.000 0.428 384 P HA 0.194 nan 4.420 nan 0.000 0.274 384 P C -0.595 176.689 177.300 -0.027 0.000 1.256 384 P CA -0.241 62.732 63.100 -0.212 0.000 0.795 384 P CB 0.947 32.321 31.700 -0.543 0.000 1.038 385 S N -0.324 115.422 115.700 0.077 0.000 2.532 385 S HA 0.283 4.753 4.470 -0.000 0.000 0.301 385 S C -0.391 174.269 174.600 0.099 0.000 1.083 385 S CA -0.644 57.694 58.200 0.231 0.000 1.025 385 S CB 0.998 64.561 63.200 0.605 0.000 1.056 385 S HN 0.348 nan 8.310 nan 0.000 0.494 386 E N 1.049 121.249 120.200 0.000 0.000 2.366 386 E HA 0.557 4.907 4.350 -0.000 0.000 0.266 386 E C -0.298 176.151 176.600 -0.252 0.000 1.051 386 E CA -0.387 55.848 56.400 -0.275 0.000 0.884 386 E CB 0.834 30.364 29.700 -0.282 0.000 1.006 386 E HN 0.600 nan 8.360 nan 0.000 0.417 387 A N 1.370 123.992 122.820 -0.330 0.000 2.423 387 A HA 0.888 5.208 4.320 -0.000 0.000 0.304 387 A C -1.232 176.110 177.584 -0.403 0.000 1.104 387 A CA -0.255 51.483 52.037 -0.498 0.000 0.757 387 A CB 1.871 20.449 19.000 -0.703 0.000 1.313 387 A HN 0.625 nan 8.150 nan 0.000 0.423 388 A N 0.970 123.479 122.820 -0.519 0.000 2.597 388 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 388 A C -3.338 174.160 177.584 -0.144 0.000 1.057 388 A CA -1.182 50.738 52.037 -0.194 0.000 0.674 388 A CB 1.431 20.404 19.000 -0.044 0.000 1.278 388 A HN 0.588 nan 8.150 nan 0.000 0.416 389 P HA 0.513 nan 4.420 nan 0.000 0.285 389 P C 0.022 177.333 177.300 0.018 0.000 1.259 389 P CA 0.218 63.332 63.100 0.024 0.000 0.794 389 P CB 1.661 33.410 31.700 0.082 0.000 0.940 390 A N 3.435 126.144 122.820 -0.187 0.000 2.250 390 A HA 0.367 4.687 4.320 -0.000 0.000 0.283 390 A C 0.713 178.199 177.584 -0.163 0.000 1.206 390 A CA -0.447 51.460 52.037 -0.218 0.000 0.840 390 A CB -0.061 18.551 19.000 -0.647 0.000 1.220 390 A HN 0.654 nan 8.150 nan 0.000 0.505 391 E N -0.376 119.688 120.200 -0.227 0.000 2.391 391 E HA 0.297 4.647 4.350 -0.000 0.000 0.255 391 E C -2.688 173.462 176.600 -0.751 0.000 1.187 391 E CA -1.641 54.573 56.400 -0.309 0.000 0.941 391 E CB -0.643 28.926 29.700 -0.217 0.000 1.010 391 E HN 0.231 nan 8.360 nan 0.000 0.458 392 P HA 0.147 nan 4.420 nan 0.000 0.271 392 P C -1.234 175.487 177.300 -0.966 0.000 1.218 392 P CA 0.281 62.794 63.100 -0.978 0.000 0.780 392 P CB 0.076 31.015 31.700 -1.269 0.000 0.901 393 Y N 0.907 121.025 120.300 -0.303 0.000 2.545 393 Y HA 0.497 5.047 4.550 -0.000 0.000 0.348 393 Y C 0.050 175.794 175.900 -0.260 0.000 1.002 393 Y CA -1.142 56.861 58.100 -0.160 0.000 1.039 393 Y CB 1.683 40.108 38.460 -0.059 0.000 1.271 393 Y HN 0.087 nan 8.280 nan 0.000 0.467 394 I N 4.685 125.225 120.570 -0.050 0.000 2.382 394 I HA 0.430 4.600 4.170 -0.000 0.000 0.285 394 I C -0.834 175.241 176.117 -0.070 0.000 1.007 394 I CA -0.750 60.413 61.300 -0.228 0.000 1.142 394 I CB 0.368 38.131 38.000 -0.395 0.000 1.289 394 I HN 0.651 nan 8.210 nan 0.000 0.453 395 M N 3.958 123.471 119.600 -0.145 0.000 2.682 395 M HA 0.606 5.086 4.480 -0.000 0.000 0.272 395 M C 0.358 176.622 176.300 -0.059 0.000 1.232 395 M CA -0.568 54.700 55.300 -0.054 0.000 0.849 395 M CB 1.391 33.792 32.600 -0.331 0.000 1.695 395 M HN 0.285 nan 8.290 nan 0.000 0.481 396 G N -0.873 107.941 108.800 0.024 0.000 3.228 396 G HA2 0.261 4.221 3.960 -0.000 0.000 0.245 396 G HA3 0.261 4.221 3.960 -0.000 0.000 0.245 396 G C 0.736 175.591 174.900 -0.076 0.000 1.051 396 G CA 0.457 45.555 45.100 -0.003 0.000 0.809 396 G HN 0.842 nan 8.290 nan 0.000 0.531 397 S N -1.488 114.149 115.700 -0.105 0.000 2.486 397 S HA 0.164 4.634 4.470 -0.000 0.000 0.220 397 S C 1.250 175.575 174.600 -0.459 0.000 1.011 397 S CA -0.058 58.026 58.200 -0.194 0.000 0.921 397 S CB -0.154 63.008 63.200 -0.063 0.000 0.785 397 S HN 0.350 nan 8.310 nan 0.000 0.517 398 H N 1.375 120.125 119.070 -0.533 0.000 3.505 398 H HA 0.430 4.986 4.556 -0.000 0.000 0.129 398 H C 1.006 175.772 175.328 -0.936 0.000 1.572 398 H CA 0.502 56.080 56.048 -0.783 0.000 1.611 398 H CB 0.461 30.053 29.762 -0.283 0.000 0.783 398 H HN 0.339 nan 8.280 nan 0.000 0.769 399 S N -0.596 114.742 115.700 -0.603 0.000 2.562 399 S HA 0.142 4.612 4.470 -0.000 0.000 0.221 399 S C 0.698 175.043 174.600 -0.425 0.000 0.975 399 S CA 0.362 58.091 58.200 -0.786 0.000 0.918 399 S CB -0.129 62.425 63.200 -1.076 0.000 0.772 399 S HN 0.624 nan 8.310 nan 0.000 0.531 400 G N 1.399 109.983 108.800 -0.360 0.000 2.410 400 G HA2 0.506 4.466 3.960 -0.000 0.000 0.330 400 G HA3 0.506 4.466 3.960 -0.000 0.000 0.330 400 G C -0.061 174.842 174.900 0.006 0.000 1.142 400 G CA -0.661 44.393 45.100 -0.077 0.000 0.902 400 G HN 0.434 nan 8.290 nan 0.000 0.491 401 E N 0.521 120.826 120.200 0.176 0.000 2.789 401 E HA 0.486 4.836 4.350 -0.000 0.000 0.208 401 E C 0.621 177.225 176.600 0.006 0.000 0.988 401 E CA -0.548 55.850 56.400 -0.003 0.000 1.092 401 E CB 0.760 30.401 29.700 -0.098 0.000 1.066 401 E HN 0.473 nan 8.360 nan 0.000 0.465 402 A N 0.862 123.651 122.820 -0.052 0.000 2.401 402 A HA 0.689 5.009 4.320 -0.000 0.000 0.259 402 A C 0.588 178.149 177.584 -0.039 0.000 1.103 402 A CA 0.526 52.469 52.037 -0.158 0.000 0.789 402 A CB 0.646 19.295 19.000 -0.585 0.000 1.035 402 A HN 0.498 nan 8.150 nan 0.000 0.491 403 G N 0.458 109.304 108.800 0.078 0.000 2.323 403 G HA2 0.432 4.392 3.960 -0.000 0.000 0.291 403 G HA3 0.432 4.392 3.960 -0.000 0.000 0.291 403 G C -0.954 173.949 174.900 0.005 0.000 1.278 403 G CA -0.956 44.221 45.100 0.128 0.000 0.860 403 G HN 0.509 nan 8.290 nan 0.000 0.504 404 F N 0.637 120.743 119.950 0.260 0.000 2.410 404 F HA 0.407 4.934 4.527 0.000 0.000 0.334 404 F C 0.902 176.859 175.800 0.261 0.000 1.134 404 F CA -0.168 57.959 58.000 0.212 0.000 1.227 404 F CB 0.987 40.087 39.000 0.167 0.000 1.194 404 F HN 0.456 nan 8.300 nan 0.000 0.571 405 W N 5.945 127.404 121.300 0.264 0.000 2.485 405 W HA 0.479 5.139 4.660 -0.000 0.000 0.315 405 W C -1.268 175.473 176.519 0.370 0.000 1.304 405 W CA -0.789 56.677 57.345 0.201 0.000 1.345 405 W CB 0.610 30.125 29.460 0.090 0.000 1.368 405 W HN 0.331 nan 8.180 nan 0.000 0.497 406 V N 5.027 124.941 119.914 -0.000 0.000 2.815 406 V HA 0.468 4.588 4.120 -0.000 0.000 0.314 406 V C -0.150 175.517 176.094 -0.712 0.000 1.064 406 V CA -1.349 60.851 62.300 -0.166 0.000 0.952 406 V CB 0.706 32.467 31.823 -0.104 0.000 1.020 406 V HN 0.592 nan 8.190 nan 0.000 0.439 407 C N 3.224 121.753 119.300 -1.284 0.000 2.652 407 C HA 0.764 5.224 4.460 -0.000 0.000 0.412 407 C C 1.200 175.832 174.990 -0.596 0.000 1.294 407 C CA 0.842 59.014 59.018 -1.410 0.000 2.127 407 C CB -0.348 26.556 27.740 -1.393 0.000 2.691 407 C HN 1.384 nan 8.230 nan 0.000 0.615 408 G N 4.314 112.867 108.800 -0.412 0.000 2.613 408 G HA2 0.689 4.649 3.960 -0.000 0.000 0.303 408 G HA3 0.689 4.649 3.960 -0.000 0.000 0.303 408 G C -2.792 172.025 174.900 -0.140 0.000 1.312 408 G CA -0.733 44.246 45.100 -0.201 0.000 1.036 408 G HN 0.687 nan 8.290 nan 0.000 0.513 409 P HA 0.087 nan 4.420 nan 0.000 0.275 409 P C 0.437 177.707 177.300 -0.050 0.000 1.228 409 P CA -0.208 62.868 63.100 -0.041 0.000 0.786 409 P CB 1.852 33.558 31.700 0.010 0.000 0.927 410 E N 2.395 122.560 120.200 -0.058 0.000 2.160 410 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 410 E C 0.901 177.481 176.600 -0.034 0.000 0.991 410 E CA 1.837 58.202 56.400 -0.057 0.000 0.810 410 E CB -0.295 29.366 29.700 -0.065 0.000 0.742 410 E HN 0.508 nan 8.360 nan 0.000 0.466 411 D N -0.616 119.772 120.400 -0.020 0.000 2.347 411 D HA -0.090 4.550 4.640 -0.000 0.000 0.213 411 D C 1.966 178.262 176.300 -0.008 0.000 0.985 411 D CA 0.365 54.358 54.000 -0.012 0.000 0.879 411 D CB -0.207 40.590 40.800 -0.004 0.000 0.919 411 D HN 0.328 nan 8.370 nan 0.000 0.526 412 L N -1.071 120.148 121.223 -0.006 0.000 2.730 412 L HA 0.281 4.621 4.340 -0.000 0.000 0.236 412 L C 1.219 178.093 176.870 0.006 0.000 1.061 412 L CA -0.285 54.558 54.840 0.004 0.000 0.898 412 L CB 0.158 42.226 42.059 0.016 0.000 1.270 412 L HN -0.048 nan 8.230 nan 0.000 0.500 413 M N 4.145 123.746 119.600 0.002 0.000 2.268 413 M HA 0.194 4.674 4.480 -0.000 0.000 0.349 413 M C -2.160 174.135 176.300 -0.009 0.000 1.485 413 M CA -1.419 53.895 55.300 0.023 0.000 1.094 413 M CB 0.689 33.290 32.600 0.002 0.000 1.843 413 M HN -0.205 nan 8.290 nan 0.000 0.460 414 P HA 0.107 nan 4.420 nan 0.000 0.276 414 P C -0.364 176.892 177.300 -0.073 0.000 1.244 414 P CA -0.081 62.944 63.100 -0.125 0.000 0.801 414 P CB 0.771 32.304 31.700 -0.278 0.000 1.006 415 E N 1.379 121.549 120.200 -0.050 0.000 2.160 415 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 415 E C 1.479 178.101 176.600 0.037 0.000 0.991 415 E CA 1.682 58.085 56.400 0.005 0.000 0.810 415 E CB -0.577 29.121 29.700 -0.002 0.000 0.742 415 E HN 0.389 nan 8.360 nan 0.000 0.466 416 E N -0.874 119.300 120.200 -0.043 0.000 2.171 416 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 416 E C 1.301 178.067 176.600 0.278 0.000 0.997 416 E CA 1.459 57.868 56.400 0.015 0.000 0.810 416 E CB -0.289 29.316 29.700 -0.160 0.000 0.738 416 E HN 0.585 nan 8.360 nan 0.000 0.467 417 Y N -1.839 118.581 120.300 0.201 0.000 2.457 417 Y HA 0.339 4.889 4.550 -0.000 0.000 0.263 417 Y C 1.799 177.900 175.900 0.335 0.000 1.164 417 Y CA -0.259 58.021 58.100 0.301 0.000 1.274 417 Y CB 0.555 39.097 38.460 0.137 0.000 1.097 417 Y HN 0.054 nan 8.280 nan 0.000 0.523 418 A N 0.335 123.386 122.820 0.385 0.000 2.147 418 A HA 0.000 4.320 4.320 -0.000 0.000 0.211 418 A C 1.902 179.671 177.584 0.309 0.000 1.160 418 A CA 0.136 52.398 52.037 0.375 0.000 0.781 418 A CB -0.112 19.003 19.000 0.191 0.000 0.842 418 A HN 0.246 nan 8.150 nan 0.000 0.475 419 K N 0.101 120.633 120.400 0.219 0.000 2.089 419 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 419 K C 1.099 177.717 176.600 0.030 0.000 1.048 419 K CA 1.585 57.941 56.287 0.114 0.000 0.926 419 K CB -0.403 32.158 32.500 0.102 0.000 0.714 419 K HN 0.487 nan 8.250 nan 0.000 0.448 420 L N 0.139 121.321 121.223 -0.069 0.000 2.591 420 L HA 0.106 4.446 4.340 -0.000 0.000 0.228 420 L C 0.002 176.640 176.870 -0.385 0.000 1.133 420 L CA -0.207 54.485 54.840 -0.248 0.000 0.880 420 L CB -0.002 41.877 42.059 -0.300 0.000 1.033 420 L HN -0.018 nan 8.230 nan 0.000 0.450 421 F N 0.128 120.130 119.950 0.086 0.000 2.361 421 F HA 0.299 4.826 4.527 -0.000 0.000 0.364 421 F C -1.371 174.422 175.800 -0.012 0.000 1.120 421 F CA -2.016 55.991 58.000 0.012 0.000 1.102 421 F CB 0.759 39.739 39.000 -0.034 0.000 1.183 421 F HN -0.218 nan 8.300 nan 0.000 0.476 422 P HA -0.095 nan 4.420 nan 0.000 0.216 422 P C -0.322 177.026 177.300 0.080 0.000 1.150 422 P CA 1.410 64.551 63.100 0.069 0.000 0.837 422 P CB 0.360 32.080 31.700 0.034 0.000 0.786 423 L N -0.645 120.630 121.223 0.088 0.000 2.385 423 L HA 0.345 4.685 4.340 -0.000 0.000 0.273 423 L C 0.253 177.113 176.870 -0.017 0.000 0.990 423 L CA -1.026 53.863 54.840 0.082 0.000 0.821 423 L CB 2.186 44.365 42.059 0.199 0.000 1.279 423 L HN -0.371 nan 8.230 nan 0.000 0.412 424 K N 3.649 123.938 120.400 -0.186 0.000 2.758 424 K HA 0.280 4.600 4.320 -0.000 0.000 0.250 424 K C -1.109 175.196 176.600 -0.491 0.000 1.268 424 K CA -0.014 56.097 56.287 -0.294 0.000 1.228 424 K CB -0.551 31.813 32.500 -0.227 0.000 1.715 424 K HN 0.308 nan 8.250 nan 0.000 0.334 425 Y N 0.388 120.572 120.300 -0.193 0.000 2.360 425 Y HA 0.163 4.713 4.550 -0.000 0.000 0.337 425 Y C 0.997 176.806 175.900 -0.150 0.000 1.039 425 Y CA -0.980 57.053 58.100 -0.111 0.000 1.109 425 Y CB 0.959 39.397 38.460 -0.036 0.000 1.201 425 Y HN 0.236 nan 8.280 nan 0.000 0.458 426 N N 2.771 121.514 118.700 0.073 0.000 2.365 426 N HA -0.078 4.662 4.740 -0.000 0.000 0.265 426 N C 0.302 175.873 175.510 0.101 0.000 1.288 426 N CA 0.622 53.676 53.050 0.008 0.000 0.869 426 N CB 0.139 38.639 38.487 0.022 0.000 1.071 426 N HN 0.640 nan 8.380 nan 0.000 0.480 427 R N -0.187 120.284 120.500 -0.048 0.000 3.963 427 R HA -0.199 4.141 4.340 -0.000 0.000 0.394 427 R C 0.060 176.337 176.300 -0.039 0.000 1.131 427 R CA 0.704 56.812 56.100 0.012 0.000 1.059 427 R CB -2.185 28.200 30.300 0.142 0.000 1.614 427 R HN 0.750 nan 8.270 nan 0.000 0.546 428 M N 0.710 120.097 119.600 -0.355 0.000 2.235 428 M HA 0.210 4.690 4.480 -0.000 0.000 0.351 428 M C 1.082 177.147 176.300 -0.393 0.000 1.178 428 M CA 0.314 55.143 55.300 -0.785 0.000 1.143 428 M CB 0.821 32.846 32.600 -0.957 0.000 1.530 428 M HN 0.305 nan 8.290 nan 0.000 0.461 429 T N -0.278 114.108 114.554 -0.281 0.000 2.833 429 T HA 0.196 4.546 4.350 -0.000 0.000 0.312 429 T C 1.148 175.946 174.700 0.165 0.000 1.085 429 T CA 0.061 62.170 62.100 0.015 0.000 0.955 429 T CB 0.247 69.025 68.868 -0.150 0.000 1.353 429 T HN 0.803 nan 8.240 nan 0.000 0.544 430 T N -2.125 112.526 114.554 0.162 0.000 3.118 430 T HA 0.154 4.504 4.350 -0.000 0.000 0.260 430 T C 0.593 175.276 174.700 -0.028 0.000 1.139 430 T CA -0.213 61.928 62.100 0.068 0.000 1.085 430 T CB -0.453 68.395 68.868 -0.033 0.000 0.934 430 T HN 0.377 nan 8.240 nan 0.000 0.518 431 V N 2.400 122.258 119.914 -0.094 0.000 2.383 431 V HA 0.270 4.390 4.120 -0.000 0.000 0.275 431 V C 0.296 176.271 176.094 -0.197 0.000 1.036 431 V CA -1.215 61.002 62.300 -0.140 0.000 0.889 431 V CB 1.029 32.747 31.823 -0.174 0.000 0.985 431 V HN 0.372 nan 8.190 nan 0.000 0.459 432 K N 3.586 123.890 120.400 -0.160 0.000 2.484 432 K HA 0.315 4.635 4.320 -0.000 0.000 0.280 432 K C 1.307 177.731 176.600 -0.292 0.000 1.013 432 K CA 0.954 57.107 56.287 -0.222 0.000 1.029 432 K CB 0.270 32.726 32.500 -0.072 0.000 0.902 432 K HN 1.084 nan 8.250 nan 0.000 0.481 433 G N 1.992 110.405 108.800 -0.646 0.000 2.225 433 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 433 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 433 G C -0.364 174.357 174.900 -0.298 0.000 0.988 433 G CA -0.017 44.783 45.100 -0.500 0.000 0.625 433 G HN 0.466 nan 8.290 nan 0.000 0.527 434 L N 1.439 122.418 121.223 -0.406 0.000 2.265 434 L HA 0.844 5.184 4.340 -0.000 0.000 0.289 434 L C -0.454 176.165 176.870 -0.418 0.000 1.033 434 L CA -1.326 53.344 54.840 -0.284 0.000 0.814 434 L CB 0.398 42.291 42.059 -0.277 0.000 1.203 434 L HN 0.023 nan 8.230 nan 0.000 0.423 435 F N 3.587 123.405 119.950 -0.220 0.000 2.497 435 F HA 0.854 5.381 4.527 -0.000 0.000 0.331 435 F C 0.384 176.086 175.800 -0.162 0.000 1.060 435 F CA -0.427 57.464 58.000 -0.180 0.000 0.989 435 F CB 1.817 40.724 39.000 -0.153 0.000 1.245 435 F HN 0.566 nan 8.300 nan 0.000 0.486 436 A N 2.307 125.186 122.820 0.100 0.000 2.398 436 A HA 0.865 5.185 4.320 -0.000 0.000 0.301 436 A C -1.055 176.600 177.584 0.119 0.000 1.041 436 A CA -0.557 51.537 52.037 0.095 0.000 0.711 436 A CB 1.119 20.223 19.000 0.173 0.000 1.240 436 A HN 0.767 nan 8.150 nan 0.000 0.420 437 I N -0.880 119.746 120.570 0.094 0.000 3.174 437 I HA 0.918 5.088 4.170 -0.000 0.000 0.313 437 I C 0.682 176.840 176.117 0.068 0.000 1.155 437 I CA -0.346 60.994 61.300 0.066 0.000 0.977 437 I CB 1.807 39.819 38.000 0.020 0.000 1.248 437 I HN 1.696 nan 8.210 nan 0.000 0.453 438 G N 2.462 111.291 108.800 0.050 0.000 2.583 438 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.292 438 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.292 438 G C 0.379 175.317 174.900 0.064 0.000 1.203 438 G CA 0.891 46.021 45.100 0.050 0.000 0.987 438 G HN 0.839 nan 8.290 nan 0.000 0.554 439 D N -0.297 120.150 120.400 0.080 0.000 2.221 439 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 439 D C 2.376 178.792 176.300 0.193 0.000 0.982 439 D CA 1.568 55.631 54.000 0.104 0.000 0.857 439 D CB -0.474 40.385 40.800 0.099 0.000 0.934 439 D HN 0.439 nan 8.370 nan 0.000 0.475 440 C N 0.749 120.152 119.300 0.172 0.000 2.456 440 C HA 0.257 4.717 4.460 -0.000 0.000 0.279 440 C C 1.361 176.614 174.990 0.438 0.000 1.427 440 C CA -0.398 58.825 59.018 0.342 0.000 1.778 440 C CB -1.003 26.895 27.740 0.264 0.000 1.842 440 C HN 0.217 nan 8.230 nan 0.000 0.531 441 A N 0.716 123.696 122.820 0.266 0.000 2.252 441 A HA 0.600 4.920 4.320 -0.000 0.000 0.309 441 A C 0.559 178.248 177.584 0.176 0.000 1.285 441 A CA 0.172 52.343 52.037 0.224 0.000 0.900 441 A CB 0.158 19.237 19.000 0.132 0.000 1.157 441 A HN 0.452 nan 8.150 nan 0.000 0.536 442 G N 0.046 108.960 108.800 0.190 0.000 2.522 442 G HA2 0.601 4.561 3.960 -0.000 0.000 0.304 442 G HA3 0.601 4.561 3.960 -0.000 0.000 0.304 442 G C 0.926 175.887 174.900 0.102 0.000 1.210 442 G CA -0.034 45.152 45.100 0.144 0.000 0.960 442 G HN 2.291 nan 8.290 nan 0.000 0.497 443 A N -0.970 121.914 122.820 0.106 0.000 2.945 443 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 443 A C 0.671 178.304 177.584 0.081 0.000 1.293 443 A CA 1.902 53.998 52.037 0.099 0.000 0.944 443 A CB -2.276 16.705 19.000 -0.032 0.000 1.093 443 A HN 2.091 nan 8.150 nan 0.000 0.786 444 N N -1.766 116.988 118.700 0.089 0.000 2.722 444 N HA 0.510 5.250 4.740 -0.000 0.000 0.242 444 N C -2.419 173.181 175.510 0.149 0.000 1.398 444 N CA -0.943 52.206 53.050 0.165 0.000 0.755 444 N CB 1.930 40.540 38.487 0.206 0.000 1.268 444 N HN 0.258 nan 8.380 nan 0.000 0.522 445 P HA 0.086 nan 4.420 nan 0.000 0.297 445 P C -0.298 177.014 177.300 0.021 0.000 1.303 445 P CA 0.283 63.356 63.100 -0.045 0.000 0.753 445 P CB 0.402 32.064 31.700 -0.063 0.000 1.281 446 H N -2.586 116.250 119.070 -0.390 0.000 2.899 446 H HA -0.123 4.433 4.556 -0.000 0.000 0.282 446 H C 1.045 176.237 175.328 -0.228 0.000 1.198 446 H CA 1.022 56.826 56.048 -0.408 0.000 1.140 446 H CB -1.549 28.284 29.762 0.118 0.000 1.317 446 H HN 0.508 nan 8.280 nan 0.000 0.375 447 K N -0.549 119.554 120.400 -0.495 0.000 2.044 447 K HA 0.072 4.392 4.320 -0.000 0.000 0.204 447 K C 0.811 177.360 176.600 -0.085 0.000 1.049 447 K CA 1.093 57.085 56.287 -0.491 0.000 0.945 447 K CB 0.223 32.384 32.500 -0.566 0.000 0.724 447 K HN 0.096 nan 8.250 nan 0.000 0.440 448 F N -0.914 119.002 119.950 -0.058 0.000 2.181 448 F HA -0.437 4.090 4.527 0.000 0.000 0.317 448 F C 1.948 177.762 175.800 0.023 0.000 0.129 448 F CA 0.652 58.646 58.000 -0.010 0.000 0.911 448 F CB -1.473 37.526 39.000 -0.003 0.000 4.128 448 F HN 0.195 nan 8.300 nan 0.000 0.142 449 S N 0.014 115.854 115.700 0.233 0.000 2.351 449 S HA -0.223 4.247 4.470 -0.000 0.000 0.220 449 S C 1.991 176.833 174.600 0.403 0.000 1.035 449 S CA 1.973 60.190 58.200 0.028 0.000 1.031 449 S CB -1.224 61.826 63.200 -0.250 0.000 0.928 449 S HN 0.989 nan 8.310 nan 0.000 0.433 450 S N 2.134 118.099 115.700 0.443 0.000 2.368 450 S HA 0.046 4.516 4.470 -0.000 0.000 0.225 450 S C 2.168 176.938 174.600 0.282 0.000 1.030 450 S CA 1.034 59.476 58.200 0.404 0.000 0.999 450 S CB -1.676 61.672 63.200 0.246 0.000 0.844 450 S HN 0.733 nan 8.310 nan 0.000 0.459 451 G N 1.081 109.993 108.800 0.186 0.000 2.408 451 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 451 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 451 G C 1.568 176.464 174.900 -0.008 0.000 1.150 451 G CA 0.919 46.009 45.100 -0.016 0.000 0.776 451 G HN 0.574 nan 8.290 nan 0.000 0.542 452 S N 0.107 115.869 115.700 0.103 0.000 2.355 452 S HA -0.037 4.433 4.470 -0.000 0.000 0.222 452 S C 1.873 176.612 174.600 0.232 0.000 1.031 452 S CA 0.795 59.074 58.200 0.132 0.000 0.993 452 S CB -0.372 62.932 63.200 0.173 0.000 0.859 452 S HN 0.401 nan 8.310 nan 0.000 0.453 453 F N 2.585 122.679 119.950 0.241 0.000 2.126 453 F HA -0.186 4.341 4.527 0.000 0.000 0.299 453 F C 2.457 178.337 175.800 0.134 0.000 1.096 453 F CA 1.563 59.700 58.000 0.227 0.000 1.255 453 F CB -0.702 38.543 39.000 0.409 0.000 0.997 453 F HN 0.114 nan 8.300 nan 0.000 0.479 454 T N -0.421 114.351 114.554 0.363 0.000 2.708 454 T HA -0.257 4.093 4.350 -0.000 0.000 0.266 454 T C 1.807 176.566 174.700 0.098 0.000 1.037 454 T CA 1.667 63.899 62.100 0.220 0.000 1.146 454 T CB -0.403 68.592 68.868 0.211 0.000 0.865 454 T HN 0.429 nan 8.240 nan 0.000 0.435 455 E N 0.423 120.670 120.200 0.078 0.000 2.153 455 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 455 E C 2.386 178.981 176.600 -0.007 0.000 0.988 455 E CA 1.014 57.441 56.400 0.045 0.000 0.811 455 E CB -0.389 29.328 29.700 0.029 0.000 0.746 455 E HN 0.523 nan 8.360 nan 0.000 0.466 456 G N 0.752 109.527 108.800 -0.042 0.000 2.402 456 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 456 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 456 G C 1.568 176.389 174.900 -0.131 0.000 1.162 456 G CA 0.579 45.611 45.100 -0.113 0.000 0.777 456 G HN 0.169 nan 8.290 nan 0.000 0.539 457 R N -0.057 120.377 120.500 -0.111 0.000 2.081 457 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 457 R C 2.560 178.825 176.300 -0.057 0.000 1.131 457 R CA 1.191 57.268 56.100 -0.038 0.000 0.960 457 R CB -0.442 29.894 30.300 0.060 0.000 0.856 457 R HN 0.374 nan 8.270 nan 0.000 0.436 458 I N 0.711 121.230 120.570 -0.085 0.000 2.179 458 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 458 I C 2.656 178.707 176.117 -0.111 0.000 1.088 458 I CA 1.382 62.614 61.300 -0.113 0.000 1.357 458 I CB -0.467 37.492 38.000 -0.068 0.000 1.051 458 I HN 0.206 nan 8.210 nan 0.000 0.409 459 A N 0.699 123.453 122.820 -0.110 0.000 1.933 459 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 459 A C 2.545 179.870 177.584 -0.432 0.000 1.175 459 A CA 1.786 53.699 52.037 -0.207 0.000 0.628 459 A CB -0.803 18.111 19.000 -0.143 0.000 0.814 459 A HN 0.439 nan 8.150 nan 0.000 0.444 460 A N -0.073 122.577 122.820 -0.284 0.000 1.877 460 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 460 A C 2.153 179.613 177.584 -0.208 0.000 1.186 460 A CA 2.055 53.944 52.037 -0.247 0.000 0.620 460 A CB -0.479 18.456 19.000 -0.107 0.000 0.822 460 A HN 0.558 nan 8.150 nan 0.000 0.443 461 K N -0.369 119.922 120.400 -0.181 0.000 2.057 461 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 461 K C 2.108 178.525 176.600 -0.305 0.000 1.049 461 K CA 1.183 57.259 56.287 -0.352 0.000 0.931 461 K CB -0.324 31.848 32.500 -0.547 0.000 0.714 461 K HN 0.355 nan 8.250 nan 0.000 0.440 462 A N 0.982 123.672 122.820 -0.217 0.000 1.933 462 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 462 A C 2.280 179.819 177.584 -0.074 0.000 1.175 462 A CA 1.741 53.754 52.037 -0.040 0.000 0.628 462 A CB -0.660 18.419 19.000 0.132 0.000 0.814 462 A HN 0.485 nan 8.150 nan 0.000 0.444 463 A N -0.596 121.965 122.820 -0.431 0.000 1.898 463 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 463 A C 2.208 179.740 177.584 -0.088 0.000 1.181 463 A CA 1.663 53.468 52.037 -0.386 0.000 0.620 463 A CB -0.829 17.758 19.000 -0.690 0.000 0.819 463 A HN 0.357 nan 8.150 nan 0.000 0.442 464 V N 0.081 119.919 119.914 -0.127 0.000 2.343 464 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 464 V C 2.647 178.696 176.094 -0.076 0.000 1.051 464 V CA 2.267 64.524 62.300 -0.072 0.000 1.036 464 V CB -0.798 31.017 31.823 -0.013 0.000 0.654 464 V HN 0.680 nan 8.190 nan 0.000 0.451 465 R N -0.482 119.972 120.500 -0.078 0.000 2.081 465 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 465 R C 2.296 178.571 176.300 -0.041 0.000 1.131 465 R CA 2.075 58.165 56.100 -0.018 0.000 0.960 465 R CB -0.436 29.898 30.300 0.056 0.000 0.856 465 R HN 0.492 nan 8.270 nan 0.000 0.436 466 F N 1.248 120.962 119.950 -0.392 0.000 2.102 466 F HA -0.147 4.380 4.527 0.000 0.000 0.298 466 F C 1.771 177.370 175.800 -0.336 0.000 1.105 466 F CA 1.457 58.977 58.000 -0.799 0.000 1.239 466 F CB -0.372 38.143 39.000 -0.807 0.000 0.991 466 F HN -0.023 nan 8.300 nan 0.000 0.474 467 I N 0.223 120.471 120.570 -0.537 0.000 2.226 467 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 467 I C 2.367 178.279 176.117 -0.343 0.000 1.100 467 I CA 1.333 62.300 61.300 -0.556 0.000 1.374 467 I CB -0.541 37.292 38.000 -0.278 0.000 1.057 467 I HN 0.204 nan 8.210 nan 0.000 0.413 468 L N -0.035 121.068 121.223 -0.200 0.000 2.217 468 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 468 L C 2.315 179.129 176.870 -0.094 0.000 1.107 468 L CA 1.221 55.990 54.840 -0.117 0.000 0.783 468 L CB -0.504 41.520 42.059 -0.059 0.000 0.919 468 L HN 0.288 nan 8.230 nan 0.000 0.442 469 E N -0.506 119.644 120.200 -0.084 0.000 2.075 469 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 469 E C 2.066 178.648 176.600 -0.029 0.000 0.969 469 E CA 0.554 56.954 56.400 -0.001 0.000 0.815 469 E CB 0.182 29.968 29.700 0.142 0.000 0.776 469 E HN 0.385 nan 8.360 nan 0.000 0.457 470 Q N 0.441 120.162 119.800 -0.132 0.000 2.402 470 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 470 Q C -0.092 175.784 176.000 -0.206 0.000 0.919 470 Q CA 0.199 55.924 55.803 -0.131 0.000 0.923 470 Q CB 0.357 29.018 28.738 -0.128 0.000 1.048 470 Q HN 0.140 nan 8.270 nan 0.000 0.515 471 K N 1.716 121.947 120.400 -0.281 0.000 3.451 471 K HA -0.143 4.177 4.320 -0.000 0.000 0.273 471 K C -2.325 174.139 176.600 -0.227 0.000 0.944 471 K CA 0.170 56.321 56.287 -0.226 0.000 0.734 471 K CB -1.169 31.256 32.500 -0.126 0.000 1.437 471 K HN 0.286 nan 8.250 nan 0.000 0.454 472 P HA 0.005 nan 4.420 nan 0.000 0.269 472 P C -0.483 176.741 177.300 -0.126 0.000 1.209 472 P CA 0.199 63.162 63.100 -0.228 0.000 0.776 472 P CB 0.671 32.171 31.700 -0.334 0.000 0.876 473 N N 1.524 120.188 118.700 -0.060 0.000 2.679 473 N HA 0.198 4.938 4.740 -0.000 0.000 0.240 473 N C -2.593 172.906 175.510 -0.018 0.000 1.537 473 N CA -1.187 51.838 53.050 -0.041 0.000 0.793 473 N CB 0.124 38.585 38.487 -0.043 0.000 1.391 473 N HN 0.197 nan 8.380 nan 0.000 0.524 474 P HA 0.188 nan 4.420 nan 0.000 0.274 474 P C -0.821 176.476 177.300 -0.005 0.000 1.237 474 P CA -0.032 63.068 63.100 0.001 0.000 0.793 474 P CB 1.305 33.012 31.700 0.012 0.000 0.977 475 E N 1.697 121.894 120.200 -0.006 0.000 2.176 475 E HA 0.358 4.708 4.350 -0.000 0.000 0.267 475 E C 0.052 176.649 176.600 -0.005 0.000 0.893 475 E CA -0.971 55.425 56.400 -0.006 0.000 0.761 475 E CB 1.000 30.697 29.700 -0.005 0.000 1.133 475 E HN 0.462 nan 8.360 nan 0.000 0.409 476 I N 0.712 121.279 120.570 -0.004 0.000 2.882 476 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 476 I C 0.091 176.211 176.117 0.005 0.000 1.139 476 I CA -0.478 60.821 61.300 -0.002 0.000 1.379 476 I CB 0.804 38.805 38.000 0.000 0.000 1.410 476 I HN 0.392 nan 8.210 nan 0.000 0.594 477 D N 3.953 124.359 120.400 0.010 0.000 2.396 477 D HA 0.093 4.733 4.640 -0.000 0.000 0.225 477 D C 0.449 176.766 176.300 0.029 0.000 1.121 477 D CA -0.229 53.780 54.000 0.016 0.000 0.853 477 D CB 1.035 41.843 40.800 0.014 0.000 1.043 477 D HN 0.540 nan 8.370 nan 0.000 0.500 478 D N 3.034 123.451 120.400 0.028 0.000 2.182 478 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 478 D C 1.691 178.019 176.300 0.047 0.000 0.986 478 D CA 0.966 54.990 54.000 0.039 0.000 0.847 478 D CB 0.157 40.974 40.800 0.029 0.000 0.942 478 D HN 0.562 nan 8.370 nan 0.000 0.467 479 A N 0.705 123.548 122.820 0.038 0.000 1.898 479 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 479 A C 2.571 180.188 177.584 0.055 0.000 1.181 479 A CA 1.065 53.127 52.037 0.041 0.000 0.620 479 A CB -0.690 18.330 19.000 0.033 0.000 0.819 479 A HN 0.144 nan 8.150 nan 0.000 0.442 480 V N -0.302 119.646 119.914 0.056 0.000 2.343 480 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 480 V C 2.576 178.732 176.094 0.103 0.000 1.051 480 V CA 1.917 64.259 62.300 0.070 0.000 1.036 480 V CB -0.766 31.087 31.823 0.051 0.000 0.654 480 V HN 0.368 nan 8.190 nan 0.000 0.451 481 V N 0.183 120.161 119.914 0.107 0.000 2.287 481 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 481 V C 2.595 178.790 176.094 0.168 0.000 1.053 481 V CA 2.348 64.751 62.300 0.172 0.000 1.027 481 V CB -0.635 31.287 31.823 0.165 0.000 0.646 481 V HN 0.632 nan 8.190 nan 0.000 0.447 482 E N 0.635 120.894 120.200 0.099 0.000 2.110 482 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 482 E C 2.055 178.684 176.600 0.049 0.000 0.988 482 E CA 1.710 58.139 56.400 0.048 0.000 0.804 482 E CB -0.252 29.470 29.700 0.036 0.000 0.745 482 E HN 0.701 nan 8.360 nan 0.000 0.458 483 E N -0.091 120.160 120.200 0.085 0.000 2.072 483 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 483 E C 2.207 178.901 176.600 0.156 0.000 0.985 483 E CA 1.141 57.605 56.400 0.106 0.000 0.801 483 E CB -0.158 29.608 29.700 0.111 0.000 0.750 483 E HN 0.300 nan 8.360 nan 0.000 0.452 484 L N 0.953 122.300 121.223 0.207 0.000 2.141 484 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 484 L C 2.590 179.647 176.870 0.312 0.000 1.094 484 L CA 0.992 56.043 54.840 0.350 0.000 0.763 484 L CB -0.246 42.051 42.059 0.396 0.000 0.908 484 L HN 0.056 nan 8.230 nan 0.000 0.437 485 K N 0.579 120.984 120.400 0.008 0.000 2.057 485 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 485 K C 2.106 178.624 176.600 -0.138 0.000 1.050 485 K CA 1.218 57.182 56.287 -0.538 0.000 0.935 485 K CB 0.138 32.134 32.500 -0.840 0.000 0.715 485 K HN 0.182 nan 8.250 nan 0.000 0.439 486 K N 0.587 120.977 120.400 -0.016 0.000 2.057 486 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 486 K C 2.112 178.779 176.600 0.112 0.000 1.049 486 K CA 1.519 57.838 56.287 0.054 0.000 0.931 486 K CB -0.006 32.529 32.500 0.059 0.000 0.714 486 K HN 0.120 nan 8.250 nan 0.000 0.440 487 K N 0.578 121.077 120.400 0.164 0.000 2.057 487 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 487 K C 2.271 179.033 176.600 0.270 0.000 1.049 487 K CA 1.112 57.554 56.287 0.258 0.000 0.931 487 K CB -0.189 32.556 32.500 0.409 0.000 0.714 487 K HN 0.119 nan 8.250 nan 0.000 0.440 488 A N 0.897 123.734 122.820 0.028 0.000 1.903 488 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 488 A C 1.594 178.925 177.584 -0.422 0.000 1.191 488 A CA 1.599 53.371 52.037 -0.441 0.000 0.638 488 A CB -0.775 17.857 19.000 -0.613 0.000 0.823 488 A HN 0.380 nan 8.150 nan 0.000 0.451 489 Y N -0.886 119.364 120.300 -0.084 0.000 2.457 489 Y HA 0.411 4.961 4.550 -0.000 0.000 0.263 489 Y C 2.387 178.271 175.900 -0.026 0.000 1.164 489 Y CA -0.073 57.980 58.100 -0.078 0.000 1.274 489 Y CB -0.278 38.143 38.460 -0.064 0.000 1.097 489 Y HN 0.333 nan 8.280 nan 0.000 0.523 490 A N 1.178 124.056 122.820 0.097 0.000 1.917 490 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 490 A C -0.243 177.354 177.584 0.023 0.000 1.182 490 A CA 1.668 53.747 52.037 0.070 0.000 0.633 490 A CB -1.568 17.472 19.000 0.067 0.000 0.819 490 A HN 0.265 nan 8.150 nan 0.000 0.448 491 P HA -0.153 nan 4.420 nan 0.000 0.216 491 P C 1.649 178.921 177.300 -0.046 0.000 1.150 491 P CA 1.381 64.423 63.100 -0.097 0.000 0.837 491 P CB -0.163 31.421 31.700 -0.193 0.000 0.786 492 M N -1.167 118.437 119.600 0.007 0.000 2.132 492 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 492 M C 1.981 178.331 176.300 0.083 0.000 1.065 492 M CA 1.691 57.024 55.300 0.054 0.000 1.122 492 M CB -0.759 31.906 32.600 0.110 0.000 1.365 492 M HN -0.017 nan 8.290 nan 0.000 0.411 493 E N -0.007 120.239 120.200 0.077 0.000 2.150 493 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 493 E C 2.087 178.728 176.600 0.069 0.000 0.985 493 E CA 0.841 57.277 56.400 0.060 0.000 0.814 493 E CB -0.151 29.587 29.700 0.063 0.000 0.752 493 E HN 0.409 nan 8.360 nan 0.000 0.466 494 R N 0.155 120.712 120.500 0.095 0.000 2.092 494 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 494 R C 2.191 178.597 176.300 0.177 0.000 1.119 494 R CA 0.857 57.069 56.100 0.186 0.000 0.970 494 R CB -0.194 30.186 30.300 0.132 0.000 0.864 494 R HN 0.123 nan 8.270 nan 0.000 0.440 495 F N 1.180 121.037 119.950 -0.155 0.000 2.075 495 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 495 F C 1.969 177.715 175.800 -0.091 0.000 1.113 495 F CA 1.735 59.561 58.000 -0.289 0.000 1.218 495 F CB -0.265 38.511 39.000 -0.373 0.000 0.984 495 F HN -0.044 nan 8.300 nan 0.000 0.472 496 M N -0.249 119.231 119.600 -0.200 0.000 2.159 496 M HA -0.250 4.230 4.480 -0.000 0.000 0.263 496 M C 2.344 178.504 176.300 -0.234 0.000 1.063 496 M CA 1.963 57.094 55.300 -0.281 0.000 1.110 496 M CB -0.685 31.844 32.600 -0.118 0.000 1.374 496 M HN 0.357 nan 8.290 nan 0.000 0.411 497 Q N -0.214 119.493 119.800 -0.155 0.000 2.123 497 Q HA -0.149 4.191 4.340 -0.000 0.000 0.199 497 Q C 0.792 176.531 176.000 -0.435 0.000 0.966 497 Q CA 1.441 57.066 55.803 -0.297 0.000 0.845 497 Q CB 0.240 28.772 28.738 -0.345 0.000 0.907 497 Q HN 0.594 nan 8.270 nan 0.000 0.439 498 Y N -0.313 119.982 120.300 -0.009 0.000 2.481 498 Y HA 0.155 4.705 4.550 -0.000 0.000 0.247 498 Y C 1.621 177.536 175.900 0.026 0.000 1.151 498 Y CA -0.112 58.013 58.100 0.040 0.000 1.238 498 Y CB 0.477 39.020 38.460 0.139 0.000 1.179 498 Y HN 0.088 nan 8.280 nan 0.000 0.524 499 K N -0.351 120.056 120.400 0.012 0.000 2.211 499 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 499 K C 0.360 176.925 176.600 -0.057 0.000 1.047 499 K CA 1.995 58.220 56.287 -0.103 0.000 0.935 499 K CB -0.195 31.884 32.500 -0.700 0.000 0.728 499 K HN 0.093 nan 8.250 nan 0.000 0.452 500 D N 1.158 121.512 120.400 -0.075 0.000 2.378 500 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 500 D C 1.565 177.853 176.300 -0.019 0.000 1.012 500 D CA 0.477 54.450 54.000 -0.046 0.000 0.905 500 D CB 0.040 40.802 40.800 -0.063 0.000 0.895 500 D HN 0.264 nan 8.370 nan 0.000 0.532 501 L N -0.882 120.339 121.223 -0.005 0.000 2.395 501 L HA 0.032 4.372 4.340 -0.000 0.000 0.218 501 L C 1.031 177.891 176.870 -0.017 0.000 1.130 501 L CA 0.362 55.199 54.840 -0.005 0.000 0.826 501 L CB 0.127 42.189 42.059 0.005 0.000 0.941 501 L HN -0.106 nan 8.230 nan 0.000 0.451 502 S N -1.740 113.953 115.700 -0.011 0.000 2.564 502 S HA 0.240 4.710 4.470 -0.000 0.000 0.274 502 S C 0.789 175.408 174.600 0.032 0.000 1.124 502 S CA -0.210 57.990 58.200 0.001 0.000 0.869 502 S CB 1.634 64.825 63.200 -0.015 0.000 1.105 502 S HN 0.211 nan 8.310 nan 0.000 0.472 503 T N 0.699 115.275 114.554 0.036 0.000 3.118 503 T HA 0.377 4.727 4.350 -0.000 0.000 0.260 503 T C 0.574 175.323 174.700 0.082 0.000 1.139 503 T CA 0.504 62.635 62.100 0.052 0.000 1.085 503 T CB -0.178 68.713 68.868 0.038 0.000 0.934 503 T HN 0.901 nan 8.240 nan 0.000 0.518 504 A N 1.054 123.930 122.820 0.094 0.000 2.304 504 A HA 0.561 4.881 4.320 -0.000 0.000 0.314 504 A C 0.538 178.241 177.584 0.199 0.000 1.187 504 A CA -0.733 51.387 52.037 0.137 0.000 0.810 504 A CB 0.916 19.988 19.000 0.118 0.000 1.183 504 A HN 0.068 nan 8.150 nan 0.000 0.487 505 D N 1.454 122.027 120.400 0.289 0.000 2.182 505 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 505 D C 0.795 177.369 176.300 0.456 0.000 0.986 505 D CA 2.223 56.491 54.000 0.447 0.000 0.847 505 D CB 0.071 41.186 40.800 0.526 0.000 0.942 505 D HN 0.796 nan 8.370 nan 0.000 0.467 506 D N -0.805 119.807 120.400 0.353 0.000 2.342 506 D HA 0.027 4.667 4.640 -0.000 0.000 0.221 506 D C -0.200 176.214 176.300 0.191 0.000 1.101 506 D CA -0.119 54.078 54.000 0.329 0.000 0.837 506 D CB 0.163 41.234 40.800 0.453 0.000 0.938 506 D HN -0.084 nan 8.370 nan 0.000 0.508 507 V N 1.293 121.280 119.914 0.121 0.000 2.380 507 V HA 0.318 4.438 4.120 -0.000 0.000 0.268 507 V C -0.582 175.466 176.094 -0.075 0.000 1.008 507 V CA -0.839 61.475 62.300 0.023 0.000 0.823 507 V CB 0.677 32.530 31.823 0.049 0.000 1.053 507 V HN 0.233 nan 8.190 nan 0.000 0.446 508 N N 5.056 123.622 118.700 -0.224 0.000 2.258 508 N HA 0.494 5.234 4.740 -0.000 0.000 0.299 508 N C -1.995 173.282 175.510 -0.389 0.000 1.047 508 N CA -1.383 51.410 53.050 -0.430 0.000 0.814 508 N CB 3.820 41.655 38.487 -1.088 0.000 1.413 508 N HN 0.205 nan 8.380 nan 0.000 0.478 509 P HA 0.103 nan 4.420 nan 0.000 0.236 509 P C 0.205 177.353 177.300 -0.253 0.000 1.177 509 P CA 0.745 63.714 63.100 -0.219 0.000 0.773 509 P CB 0.755 32.369 31.700 -0.143 0.000 0.878 510 E N -0.517 119.467 120.200 -0.360 0.000 2.498 510 E HA 0.122 4.472 4.350 -0.000 0.000 0.203 510 E C -0.042 176.376 176.600 -0.303 0.000 1.013 510 E CA -0.030 56.131 56.400 -0.398 0.000 0.927 510 E CB 0.232 29.568 29.700 -0.605 0.000 1.012 510 E HN 0.440 nan 8.360 nan 0.000 0.482 511 Y N -1.210 118.980 120.300 -0.184 0.000 2.677 511 Y HA 0.542 5.092 4.550 0.000 0.000 0.334 511 Y C -0.928 174.894 175.900 -0.131 0.000 1.196 511 Y CA -2.185 55.825 58.100 -0.149 0.000 1.059 511 Y CB 0.329 38.735 38.460 -0.091 0.000 1.315 511 Y HN -0.155 nan 8.280 nan 0.000 0.455 512 I N 0.869 121.537 120.570 0.164 0.000 2.569 512 I HA 0.723 4.893 4.170 -0.000 0.000 0.296 512 I C -1.179 174.911 176.117 -0.045 0.000 1.028 512 I CA -1.184 60.117 61.300 0.003 0.000 1.082 512 I CB 2.098 40.026 38.000 -0.119 0.000 1.264 512 I HN 0.643 nan 8.210 nan 0.000 0.429 513 L N 5.069 126.189 121.223 -0.171 0.000 2.439 513 L HA 0.412 4.752 4.340 -0.000 0.000 0.259 513 L C -1.503 175.205 176.870 -0.270 0.000 1.129 513 L CA -1.474 53.233 54.840 -0.220 0.000 0.803 513 L CB 0.919 42.844 42.059 -0.224 0.000 1.161 513 L HN 0.412 nan 8.230 nan 0.000 0.462 514 P HA -0.214 nan 4.420 nan 0.000 0.215 514 P C 1.320 178.596 177.300 -0.041 0.000 1.157 514 P CA 1.555 64.589 63.100 -0.111 0.000 0.874 514 P CB -0.097 31.550 31.700 -0.087 0.000 0.790 515 W N 0.283 121.560 121.300 -0.039 0.000 2.374 515 W HA -0.123 4.537 4.660 -0.000 0.000 0.288 515 W C 1.310 177.819 176.519 -0.017 0.000 1.218 515 W CA 0.827 58.157 57.345 -0.026 0.000 1.245 515 W CB -1.436 28.011 29.460 -0.022 0.000 1.126 515 W HN 0.107 nan 8.180 nan 0.000 0.545 516 Q N 0.826 120.199 119.800 -0.711 0.000 2.083 516 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 516 Q C 2.790 178.622 176.000 -0.280 0.000 0.969 516 Q CA 1.710 57.081 55.803 -0.720 0.000 0.838 516 Q CB -0.711 27.467 28.738 -0.933 0.000 0.900 516 Q HN 0.422 nan 8.270 nan 0.000 0.436 517 G N 1.001 109.669 108.800 -0.219 0.000 2.422 517 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 517 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 517 G C 1.375 176.238 174.900 -0.062 0.000 1.140 517 G CA 0.336 45.361 45.100 -0.126 0.000 0.775 517 G HN 0.185 nan 8.290 nan 0.000 0.545 518 L N 0.745 121.954 121.223 -0.024 0.000 2.072 518 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 518 L C 2.890 179.788 176.870 0.046 0.000 1.079 518 L CA 1.155 56.011 54.840 0.027 0.000 0.752 518 L CB -0.469 41.631 42.059 0.069 0.000 0.906 518 L HN 0.067 nan 8.230 nan 0.000 0.436 519 V N -0.015 119.944 119.914 0.075 0.000 2.332 519 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 519 V C 2.801 178.919 176.094 0.040 0.000 1.055 519 V CA 2.169 64.524 62.300 0.092 0.000 1.038 519 V CB -0.663 31.250 31.823 0.150 0.000 0.651 519 V HN 0.519 nan 8.190 nan 0.000 0.450 520 R N -0.394 120.108 120.500 0.003 0.000 2.073 520 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 520 R C 2.291 178.585 176.300 -0.010 0.000 1.134 520 R CA 1.901 57.995 56.100 -0.010 0.000 0.952 520 R CB -0.410 29.866 30.300 -0.039 0.000 0.850 520 R HN 0.439 nan 8.270 nan 0.000 0.433 521 L N 1.351 122.560 121.223 -0.022 0.000 2.012 521 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 521 L C 2.076 178.908 176.870 -0.063 0.000 1.073 521 L CA 1.872 56.686 54.840 -0.043 0.000 0.748 521 L CB -0.531 41.506 42.059 -0.036 0.000 0.891 521 L HN 0.273 nan 8.230 nan 0.000 0.431 522 Q N -0.608 119.175 119.800 -0.030 0.000 2.135 522 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 522 Q C 2.286 178.278 176.000 -0.014 0.000 0.981 522 Q CA 2.039 57.827 55.803 -0.026 0.000 0.856 522 Q CB -0.213 28.547 28.738 0.035 0.000 0.902 522 Q HN 0.552 nan 8.270 nan 0.000 0.425 523 K N 0.845 121.253 120.400 0.012 0.000 2.062 523 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 523 K C 1.942 178.576 176.600 0.056 0.000 1.051 523 K CA 0.889 57.195 56.287 0.033 0.000 0.941 523 K CB -0.013 32.512 32.500 0.042 0.000 0.719 523 K HN 0.118 nan 8.250 nan 0.000 0.440 524 I N 1.024 121.630 120.570 0.060 0.000 2.127 524 I HA -0.324 3.846 4.170 -0.000 0.000 0.241 524 I C 2.422 178.604 176.117 0.110 0.000 1.075 524 I CA 1.131 62.512 61.300 0.135 0.000 1.334 524 I CB -0.241 37.772 38.000 0.022 0.000 1.040 524 I HN 0.261 nan 8.210 nan 0.000 0.405 525 M N -0.195 119.344 119.600 -0.102 0.000 2.117 525 M HA -0.212 4.268 4.480 -0.000 0.000 0.262 525 M C 2.003 178.264 176.300 -0.064 0.000 1.065 525 M CA 1.663 56.774 55.300 -0.314 0.000 1.114 525 M CB -1.413 30.608 32.600 -0.965 0.000 1.361 525 M HN 0.228 nan 8.290 nan 0.000 0.408 526 D N 0.525 120.943 120.400 0.029 0.000 2.117 526 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 526 D C 1.736 178.064 176.300 0.046 0.000 0.987 526 D CA 1.460 55.551 54.000 0.152 0.000 0.829 526 D CB 0.113 40.962 40.800 0.082 0.000 0.961 526 D HN 0.471 nan 8.370 nan 0.000 0.460 527 E N -1.908 118.267 120.200 -0.042 0.000 2.230 527 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 527 E C 1.125 177.458 176.600 -0.444 0.000 0.987 527 E CA 0.535 56.772 56.400 -0.272 0.000 0.841 527 E CB 0.120 29.572 29.700 -0.412 0.000 0.783 527 E HN 0.488 nan 8.360 nan 0.000 0.481 528 Y N -1.119 119.191 120.300 0.018 0.000 2.430 528 Y HA 0.375 4.925 4.550 0.000 0.000 0.254 528 Y C 1.286 177.205 175.900 0.031 0.000 1.088 528 Y CA -0.043 58.065 58.100 0.012 0.000 1.267 528 Y CB 0.951 39.401 38.460 -0.016 0.000 1.204 528 Y HN -0.078 nan 8.280 nan 0.000 0.515 529 A N 0.505 123.451 122.820 0.210 0.000 2.842 529 A HA 0.687 5.007 4.320 -0.000 0.000 0.298 529 A C 1.070 178.853 177.584 0.332 0.000 1.293 529 A CA 0.122 52.292 52.037 0.221 0.000 0.959 529 A CB -1.081 18.032 19.000 0.189 0.000 1.119 529 A HN 0.537 nan 8.150 nan 0.000 0.564 530 A N -1.204 121.748 122.820 0.219 0.000 2.734 530 A HA 0.056 4.376 4.320 -0.000 0.000 0.296 530 A C 1.001 178.676 177.584 0.153 0.000 1.474 530 A CA 0.906 53.060 52.037 0.195 0.000 0.735 530 A CB -1.654 17.476 19.000 0.216 0.000 1.062 530 A HN 1.922 nan 8.150 nan 0.000 0.463 531 G N -0.624 108.259 108.800 0.138 0.000 2.532 531 G HA2 0.603 4.563 3.960 -0.000 0.000 0.291 531 G HA3 0.603 4.563 3.960 -0.000 0.000 0.291 531 G C 1.228 175.933 174.900 -0.326 0.000 1.349 531 G CA -0.382 44.731 45.100 0.022 0.000 1.038 531 G HN 1.387 nan 8.290 nan 0.000 0.518 532 I N -2.347 118.006 120.570 -0.360 0.000 2.454 532 I HA -0.028 4.142 4.170 -0.000 0.000 0.254 532 I C 2.452 178.377 176.117 -0.321 0.000 1.156 532 I CA 1.548 62.538 61.300 -0.516 0.000 1.433 532 I CB -0.342 37.508 38.000 -0.250 0.000 1.082 532 I HN 0.309 nan 8.210 nan 0.000 0.432 533 A N 1.784 124.495 122.820 -0.182 0.000 1.978 533 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 533 A C 2.146 179.645 177.584 -0.140 0.000 1.170 533 A CA 2.332 54.291 52.037 -0.131 0.000 0.636 533 A CB -1.084 17.858 19.000 -0.098 0.000 0.810 533 A HN 0.691 nan 8.150 nan 0.000 0.448 534 T N -3.423 111.035 114.554 -0.160 0.000 3.266 534 T HA 0.426 4.776 4.350 -0.000 0.000 0.278 534 T C 0.269 174.894 174.700 -0.125 0.000 1.010 534 T CA -0.006 62.024 62.100 -0.118 0.000 0.909 534 T CB -0.296 68.528 68.868 -0.073 0.000 1.122 534 T HN 0.699 nan 8.240 nan 0.000 0.536 535 I N 0.797 121.220 120.570 -0.245 0.000 6.679 535 I HA -0.303 3.867 4.170 -0.000 0.000 0.126 535 I C -0.041 176.072 176.117 -0.007 0.000 1.811 535 I CA 0.548 61.711 61.300 -0.229 0.000 2.117 535 I CB -3.300 34.678 38.000 -0.037 0.000 3.492 535 I HN 0.709 nan 8.210 nan 0.000 0.193 536 Y N -1.715 118.651 120.300 0.109 0.000 4.177 536 Y HA -0.288 4.262 4.550 -0.000 0.000 0.227 536 Y C 1.032 177.116 175.900 0.306 0.000 1.154 536 Y CA 1.308 59.514 58.100 0.175 0.000 1.887 536 Y CB -1.751 36.823 38.460 0.191 0.000 1.594 536 Y HN 0.539 nan 8.280 nan 0.000 0.668 537 K N 0.136 120.698 120.400 0.270 0.000 2.156 537 K HA 0.799 5.119 4.320 -0.000 0.000 0.254 537 K C 0.301 177.004 176.600 0.172 0.000 0.950 537 K CA -0.415 56.026 56.287 0.256 0.000 0.849 537 K CB 2.562 35.129 32.500 0.112 0.000 1.100 537 K HN 0.126 nan 8.250 nan 0.000 0.434 538 T N 0.686 115.351 114.554 0.186 0.000 2.711 538 T HA 0.424 4.774 4.350 -0.000 0.000 0.302 538 T C -1.926 172.846 174.700 0.121 0.000 1.373 538 T CA -0.745 61.432 62.100 0.129 0.000 1.000 538 T CB 1.206 70.145 68.868 0.118 0.000 1.483 538 T HN 0.920 nan 8.240 nan 0.000 0.499 539 N N -0.382 118.372 118.700 0.090 0.000 3.243 539 N HA 0.325 5.065 4.740 -0.000 0.000 0.280 539 N C 0.540 176.087 175.510 0.061 0.000 1.545 539 N CA -0.583 52.514 53.050 0.078 0.000 0.854 539 N CB 0.511 39.026 38.487 0.046 0.000 1.612 539 N HN 0.653 nan 8.380 nan 0.000 0.577 540 E N -0.084 120.150 120.200 0.057 0.000 2.058 540 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 540 E C 0.743 177.356 176.600 0.021 0.000 0.997 540 E CA 1.386 57.808 56.400 0.037 0.000 0.801 540 E CB 0.043 29.772 29.700 0.049 0.000 0.746 540 E HN 0.444 nan 8.360 nan 0.000 0.450 541 K N 0.010 120.427 120.400 0.028 0.000 2.032 541 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 541 K C 2.165 178.799 176.600 0.056 0.000 1.048 541 K CA 1.220 57.525 56.287 0.029 0.000 0.927 541 K CB -0.344 32.175 32.500 0.033 0.000 0.712 541 K HN 0.304 nan 8.250 nan 0.000 0.441 542 M N 0.796 120.457 119.600 0.103 0.000 2.117 542 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 542 M C 2.418 178.806 176.300 0.146 0.000 1.065 542 M CA 1.349 56.782 55.300 0.221 0.000 1.114 542 M CB -1.016 31.705 32.600 0.201 0.000 1.361 542 M HN 0.072 nan 8.290 nan 0.000 0.408 543 L N -0.387 120.871 121.223 0.059 0.000 2.083 543 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 543 L C 2.594 179.423 176.870 -0.068 0.000 1.083 543 L CA 1.202 56.037 54.840 -0.009 0.000 0.752 543 L CB -0.642 41.394 42.059 -0.039 0.000 0.899 543 L HN 0.399 nan 8.230 nan 0.000 0.433 544 Q N -0.542 119.221 119.800 -0.061 0.000 2.084 544 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 544 Q C 2.296 178.211 176.000 -0.142 0.000 0.978 544 Q CA 1.253 57.001 55.803 -0.092 0.000 0.844 544 Q CB -0.140 28.560 28.738 -0.062 0.000 0.898 544 Q HN 0.211 nan 8.270 nan 0.000 0.426 545 R N 1.112 121.516 120.500 -0.160 0.000 2.092 545 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 545 R C 1.914 177.948 176.300 -0.444 0.000 1.119 545 R CA 1.533 57.452 56.100 -0.302 0.000 0.970 545 R CB -0.756 29.325 30.300 -0.366 0.000 0.864 545 R HN 0.246 nan 8.270 nan 0.000 0.440 546 A N 0.611 123.203 122.820 -0.380 0.000 1.908 546 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 546 A C 2.256 179.698 177.584 -0.237 0.000 1.181 546 A CA 1.610 53.466 52.037 -0.302 0.000 0.627 546 A CB -0.664 18.272 19.000 -0.107 0.000 0.818 546 A HN 0.360 nan 8.150 nan 0.000 0.445 547 L N -0.922 120.175 121.223 -0.210 0.000 2.083 547 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 547 L C 2.597 179.327 176.870 -0.233 0.000 1.083 547 L CA 1.685 56.400 54.840 -0.208 0.000 0.752 547 L CB -0.640 41.307 42.059 -0.188 0.000 0.899 547 L HN 0.488 nan 8.230 nan 0.000 0.433 548 E N 0.174 120.222 120.200 -0.252 0.000 2.077 548 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 548 E C 2.347 178.740 176.600 -0.344 0.000 0.989 548 E CA 1.041 57.248 56.400 -0.321 0.000 0.800 548 E CB -0.072 29.462 29.700 -0.277 0.000 0.746 548 E HN 0.448 nan 8.360 nan 0.000 0.452 549 L N 0.532 121.627 121.223 -0.214 0.000 2.109 549 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 549 L C 2.370 179.209 176.870 -0.052 0.000 1.086 549 L CA 0.660 55.471 54.840 -0.049 0.000 0.760 549 L CB -0.265 41.729 42.059 -0.109 0.000 0.910 549 L HN 0.179 nan 8.230 nan 0.000 0.437 550 L N -0.409 120.730 121.223 -0.139 0.000 2.201 550 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 550 L C 2.848 179.621 176.870 -0.162 0.000 1.105 550 L CA 0.849 55.602 54.840 -0.145 0.000 0.775 550 L CB -0.631 41.317 42.059 -0.184 0.000 0.913 550 L HN 0.231 nan 8.230 nan 0.000 0.440 551 A N 0.040 122.737 122.820 -0.206 0.000 1.877 551 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 551 A C 2.116 179.628 177.584 -0.120 0.000 1.186 551 A CA 1.328 53.236 52.037 -0.216 0.000 0.620 551 A CB -0.824 17.994 19.000 -0.304 0.000 0.822 551 A HN 0.311 nan 8.150 nan 0.000 0.443 552 F N -0.868 119.026 119.950 -0.094 0.000 2.095 552 F HA -0.197 4.330 4.527 0.000 0.000 0.298 552 F C 2.199 177.949 175.800 -0.083 0.000 1.104 552 F CA 1.100 59.053 58.000 -0.078 0.000 1.232 552 F CB -0.175 38.778 39.000 -0.079 0.000 0.987 552 F HN 0.295 nan 8.300 nan 0.000 0.475 553 L N 0.735 122.020 121.223 0.104 0.000 2.056 553 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 553 L C 2.112 178.966 176.870 -0.027 0.000 1.078 553 L CA 1.817 56.663 54.840 0.009 0.000 0.749 553 L CB -0.752 41.290 42.059 -0.029 0.000 0.901 553 L HN -0.043 nan 8.230 nan 0.000 0.433 554 K N -0.358 120.001 120.400 -0.069 0.000 2.057 554 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 554 K C 1.930 178.533 176.600 0.005 0.000 1.049 554 K CA 1.865 58.103 56.287 -0.083 0.000 0.931 554 K CB -0.195 32.176 32.500 -0.215 0.000 0.714 554 K HN 0.514 nan 8.250 nan 0.000 0.440 555 E N 0.871 121.085 120.200 0.023 0.000 2.077 555 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 555 E C 1.442 178.063 176.600 0.034 0.000 0.989 555 E CA 1.136 57.568 56.400 0.053 0.000 0.800 555 E CB -0.036 29.713 29.700 0.081 0.000 0.746 555 E HN 0.252 nan 8.360 nan 0.000 0.452 556 D N 0.470 120.880 120.400 0.017 0.000 2.348 556 D HA -0.058 4.582 4.640 -0.000 0.000 0.216 556 D C 1.770 178.046 176.300 -0.039 0.000 0.970 556 D CA 0.441 54.430 54.000 -0.018 0.000 0.889 556 D CB 0.007 40.786 40.800 -0.035 0.000 0.912 556 D HN 0.169 nan 8.370 nan 0.000 0.524 557 L N 0.689 121.893 121.223 -0.031 0.000 2.201 557 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 557 L C 1.953 178.780 176.870 -0.072 0.000 1.105 557 L CA 0.782 55.583 54.840 -0.066 0.000 0.775 557 L CB -0.147 41.894 42.059 -0.030 0.000 0.913 557 L HN -0.089 nan 8.230 nan 0.000 0.440 558 E N 0.527 120.717 120.200 -0.017 0.000 2.418 558 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 558 E C 0.959 177.543 176.600 -0.026 0.000 1.026 558 E CA 0.821 57.219 56.400 -0.003 0.000 0.862 558 E CB 0.052 29.776 29.700 0.039 0.000 0.799 558 E HN 0.453 nan 8.360 nan 0.000 0.518 559 K N 0.455 120.827 120.400 -0.046 0.000 2.618 559 K HA 0.259 4.579 4.320 -0.000 0.000 0.207 559 K C 0.209 176.784 176.600 -0.041 0.000 1.058 559 K CA -0.206 56.053 56.287 -0.048 0.000 1.086 559 K CB 0.694 33.155 32.500 -0.066 0.000 0.827 559 K HN -0.020 nan 8.250 nan 0.000 0.481 560 L N 1.360 122.525 121.223 -0.096 0.000 2.439 560 L HA 0.249 4.589 4.340 -0.000 0.000 0.269 560 L C 0.124 176.898 176.870 -0.160 0.000 1.179 560 L CA -0.239 54.515 54.840 -0.144 0.000 0.828 560 L CB 0.951 42.866 42.059 -0.240 0.000 1.106 560 L HN 0.168 nan 8.230 nan 0.000 0.467 561 A N 2.575 125.261 122.820 -0.224 0.000 2.423 561 A HA 0.944 5.264 4.320 -0.000 0.000 0.304 561 A C -1.185 176.221 177.584 -0.297 0.000 1.104 561 A CA -0.329 51.511 52.037 -0.328 0.000 0.757 561 A CB 1.882 20.401 19.000 -0.801 0.000 1.313 561 A HN 0.758 nan 8.150 nan 0.000 0.423 562 A N 0.376 123.025 122.820 -0.285 0.000 2.520 562 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 562 A C 0.000 177.357 177.584 -0.379 0.000 1.051 562 A CA -0.595 51.286 52.037 -0.261 0.000 0.690 562 A CB 1.189 20.087 19.000 -0.169 0.000 1.281 562 A HN 0.796 nan 8.150 nan 0.000 0.402 563 R N 0.176 120.441 120.500 -0.392 0.000 2.282 563 R HA 0.208 4.548 4.340 -0.000 0.000 0.195 563 R C -0.574 175.677 176.300 -0.081 0.000 0.909 563 R CA 0.991 56.796 56.100 -0.491 0.000 1.039 563 R CB 0.393 30.366 30.300 -0.544 0.000 1.015 563 R HN 0.894 nan 8.270 nan 0.000 0.513 564 D N -2.230 118.199 120.400 0.048 0.000 2.692 564 D HA 0.039 4.679 4.640 -0.000 0.000 0.303 564 D C 0.494 176.897 176.300 0.172 0.000 1.278 564 D CA -0.790 53.302 54.000 0.154 0.000 0.852 564 D CB 0.222 41.162 40.800 0.233 0.000 1.375 564 D HN -0.230 nan 8.370 nan 0.000 0.453 565 L N -0.632 120.736 121.223 0.242 0.000 2.083 565 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 565 L C 2.324 179.310 176.870 0.193 0.000 1.083 565 L CA 1.548 56.534 54.840 0.243 0.000 0.752 565 L CB -0.648 41.601 42.059 0.316 0.000 0.899 565 L HN 0.586 nan 8.230 nan 0.000 0.433 566 H N 0.239 119.369 119.070 0.099 0.000 2.319 566 H HA -0.249 4.307 4.556 -0.000 0.000 0.299 566 H C 2.213 177.479 175.328 -0.104 0.000 1.092 566 H CA 2.197 58.239 56.048 -0.009 0.000 1.302 566 H CB 0.118 29.846 29.762 -0.056 0.000 1.373 566 H HN 0.306 nan 8.280 nan 0.000 0.497 567 E N -0.786 119.361 120.200 -0.088 0.000 2.274 567 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 567 E C 2.012 178.519 176.600 -0.156 0.000 0.996 567 E CA 0.595 56.901 56.400 -0.158 0.000 0.840 567 E CB -0.061 29.686 29.700 0.080 0.000 0.772 567 E HN 0.428 nan 8.360 nan 0.000 0.491 568 L N 0.718 121.884 121.223 -0.095 0.000 2.093 568 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 568 L C 2.270 179.118 176.870 -0.037 0.000 1.085 568 L CA 1.722 56.489 54.840 -0.122 0.000 0.755 568 L CB -0.388 41.548 42.059 -0.204 0.000 0.904 568 L HN 0.270 nan 8.230 nan 0.000 0.435 569 M N -1.447 118.131 119.600 -0.036 0.000 2.132 569 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 569 M C 2.197 178.237 176.300 -0.433 0.000 1.065 569 M CA 1.468 56.599 55.300 -0.283 0.000 1.122 569 M CB -0.225 32.158 32.600 -0.362 0.000 1.365 569 M HN 0.116 nan 8.290 nan 0.000 0.411 570 R N 0.643 120.918 120.500 -0.374 0.000 2.127 570 R HA -0.080 4.260 4.340 -0.000 0.000 0.238 570 R C 2.242 178.400 176.300 -0.236 0.000 1.134 570 R CA 1.548 57.463 56.100 -0.310 0.000 0.975 570 R CB -1.243 28.862 30.300 -0.326 0.000 0.865 570 R HN 0.594 nan 8.270 nan 0.000 0.447 571 A N -0.143 122.527 122.820 -0.250 0.000 1.877 571 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 571 A C 1.977 179.315 177.584 -0.410 0.000 1.186 571 A CA 1.157 52.999 52.037 -0.325 0.000 0.620 571 A CB -0.863 17.900 19.000 -0.395 0.000 0.822 571 A HN 0.411 nan 8.150 nan 0.000 0.443 572 W N 0.098 121.222 121.300 -0.293 0.000 2.436 572 W HA 0.008 4.668 4.660 0.000 0.000 0.284 572 W C 2.249 178.479 176.519 -0.481 0.000 1.225 572 W CA 1.061 58.202 57.345 -0.340 0.000 1.271 572 W CB -0.052 29.304 29.460 -0.172 0.000 1.114 572 W HN 0.440 nan 8.180 nan 0.000 0.559 573 E N 0.017 120.105 120.200 -0.185 0.000 2.153 573 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 573 E C 2.010 178.627 176.600 0.028 0.000 0.988 573 E CA 1.249 57.639 56.400 -0.016 0.000 0.811 573 E CB -0.423 29.263 29.700 -0.023 0.000 0.746 573 E HN 0.183 nan 8.360 nan 0.000 0.466 574 L N 0.552 121.741 121.223 -0.056 0.000 2.027 574 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 574 L C 2.180 179.063 176.870 0.022 0.000 1.074 574 L CA 1.335 56.163 54.840 -0.019 0.000 0.745 574 L CB -0.391 41.618 42.059 -0.082 0.000 0.898 574 L HN -0.082 nan 8.230 nan 0.000 0.433 575 V N 0.129 120.004 119.914 -0.065 0.000 2.282 575 V HA -0.394 3.726 4.120 -0.000 0.000 0.249 575 V C 2.459 178.706 176.094 0.255 0.000 1.057 575 V CA 2.419 64.738 62.300 0.033 0.000 1.032 575 V CB -1.092 30.630 31.823 -0.169 0.000 0.645 575 V HN 0.636 nan 8.190 nan 0.000 0.447 576 H N -0.403 118.709 119.070 0.070 0.000 2.352 576 H HA -0.129 4.427 4.556 0.000 0.000 0.299 576 H C 2.638 178.179 175.328 0.354 0.000 1.097 576 H CA 1.429 57.585 56.048 0.180 0.000 1.311 576 H CB 0.010 29.920 29.762 0.247 0.000 1.377 576 H HN 0.342 nan 8.280 nan 0.000 0.504 577 R N 0.337 121.070 120.500 0.388 0.000 2.092 577 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 577 R C 2.436 178.896 176.300 0.266 0.000 1.119 577 R CA 1.011 57.296 56.100 0.307 0.000 0.970 577 R CB -0.216 30.204 30.300 0.200 0.000 0.864 577 R HN 0.132 nan 8.270 nan 0.000 0.440 578 V N -0.284 119.766 119.914 0.226 0.000 2.295 578 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 578 V C 1.771 177.942 176.094 0.129 0.000 1.049 578 V CA 1.739 64.103 62.300 0.108 0.000 1.024 578 V CB -0.494 31.339 31.823 0.016 0.000 0.648 578 V HN 0.403 nan 8.190 nan 0.000 0.447 579 W N 0.211 121.667 121.300 0.260 0.000 2.402 579 W HA -0.099 4.561 4.660 0.000 0.000 0.286 579 W C 2.661 179.361 176.519 0.301 0.000 1.221 579 W CA 1.625 59.152 57.345 0.304 0.000 1.257 579 W CB -1.003 28.726 29.460 0.449 0.000 1.120 579 W HN 0.104 nan 8.180 nan 0.000 0.551 580 T N 0.097 114.985 114.554 0.557 0.000 2.746 580 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 580 T C 2.016 176.981 174.700 0.443 0.000 1.039 580 T CA 1.844 64.269 62.100 0.541 0.000 1.142 580 T CB -0.730 68.480 68.868 0.571 0.000 0.866 580 T HN 0.171 nan 8.240 nan 0.000 0.444 581 A N 1.274 124.257 122.820 0.273 0.000 1.902 581 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 581 A C 2.211 179.861 177.584 0.112 0.000 1.181 581 A CA 1.930 54.056 52.037 0.148 0.000 0.623 581 A CB -0.621 18.383 19.000 0.007 0.000 0.818 581 A HN 0.613 nan 8.150 nan 0.000 0.443 582 E N -0.175 120.051 120.200 0.043 0.000 2.051 582 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 582 E C 2.171 178.676 176.600 -0.159 0.000 0.991 582 E CA 1.049 57.381 56.400 -0.113 0.000 0.799 582 E CB -0.256 29.324 29.700 -0.199 0.000 0.748 582 E HN 0.537 nan 8.360 nan 0.000 0.449 583 A N 0.932 123.762 122.820 0.016 0.000 1.902 583 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 583 A C 2.135 179.933 177.584 0.356 0.000 1.181 583 A CA 1.771 53.831 52.037 0.038 0.000 0.623 583 A CB -0.997 18.043 19.000 0.066 0.000 0.818 583 A HN 0.538 nan 8.150 nan 0.000 0.443 584 H N -0.464 118.822 119.070 0.359 0.000 2.321 584 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 584 H C 2.041 177.447 175.328 0.129 0.000 1.087 584 H CA 1.889 58.094 56.048 0.263 0.000 1.319 584 H CB 0.101 29.933 29.762 0.115 0.000 1.379 584 H HN 0.248 nan 8.280 nan 0.000 0.501 585 V N 1.319 121.207 119.914 -0.043 0.000 2.295 585 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 585 V C 2.683 178.690 176.094 -0.146 0.000 1.049 585 V CA 1.974 64.177 62.300 -0.163 0.000 1.024 585 V CB -0.492 31.253 31.823 -0.129 0.000 0.648 585 V HN 0.411 nan 8.190 nan 0.000 0.447 586 R N -1.174 119.248 120.500 -0.130 0.000 2.096 586 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 586 R C 2.333 178.577 176.300 -0.094 0.000 1.127 586 R CA 1.433 57.440 56.100 -0.153 0.000 0.968 586 R CB -0.434 29.732 30.300 -0.224 0.000 0.861 586 R HN 0.632 nan 8.270 nan 0.000 0.440 587 H N 0.069 119.197 119.070 0.097 0.000 2.357 587 H HA -0.014 4.542 4.556 -0.000 0.000 0.301 587 H C 2.196 177.542 175.328 0.030 0.000 1.082 587 H CA 1.485 57.664 56.048 0.217 0.000 1.342 587 H CB 0.076 30.042 29.762 0.340 0.000 1.389 587 H HN 0.180 nan 8.280 nan 0.000 0.511 588 M N 0.054 119.633 119.600 -0.036 0.000 2.213 588 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 588 M C 2.374 178.595 176.300 -0.132 0.000 1.062 588 M CA 0.848 56.039 55.300 -0.181 0.000 1.105 588 M CB -0.135 32.185 32.600 -0.468 0.000 1.385 588 M HN 0.131 nan 8.290 nan 0.000 0.417 589 L N -0.237 120.898 121.223 -0.146 0.000 2.093 589 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 589 L C 2.064 178.817 176.870 -0.196 0.000 1.085 589 L CA 1.716 56.467 54.840 -0.150 0.000 0.755 589 L CB -0.779 41.188 42.059 -0.154 0.000 0.904 589 L HN 0.145 nan 8.230 nan 0.000 0.435 590 F N 0.793 120.492 119.950 -0.419 0.000 2.113 590 F HA -0.052 4.475 4.527 0.000 0.000 0.297 590 F C 1.674 177.218 175.800 -0.427 0.000 1.103 590 F CA 0.784 58.509 58.000 -0.458 0.000 1.248 590 F CB -0.187 38.348 39.000 -0.775 0.000 0.999 590 F HN -0.049 nan 8.300 nan 0.000 0.475 591 R N 2.171 122.412 120.500 -0.432 0.000 2.345 591 R HA 0.053 4.393 4.340 -0.000 0.000 0.331 591 R C -0.440 175.181 176.300 -1.133 0.000 1.067 591 R CA -0.097 55.386 56.100 -1.029 0.000 0.962 591 R CB -0.003 30.078 30.300 -0.366 0.000 0.987 591 R HN 0.175 nan 8.270 nan 0.000 0.451 592 K N 5.463 124.813 120.400 -1.750 0.000 2.502 592 K HA 0.033 4.353 4.320 -0.000 0.000 0.244 592 K C -0.656 175.255 176.600 -1.148 0.000 1.249 592 K CA 0.005 55.457 56.287 -1.391 0.000 1.193 592 K CB 0.073 31.747 32.500 -1.377 0.000 1.674 592 K HN 0.705 nan 8.250 nan 0.000 0.302 593 E N -1.524 118.254 120.200 -0.704 0.000 2.432 593 E HA 0.227 4.577 4.350 -0.000 0.000 0.279 593 E C -1.261 175.186 176.600 -0.255 0.000 1.099 593 E CA -1.034 55.144 56.400 -0.371 0.000 0.859 593 E CB 0.987 30.431 29.700 -0.426 0.000 1.402 593 E HN -0.126 nan 8.360 nan 0.000 0.451 594 T N 0.937 115.356 114.554 -0.225 0.000 3.060 594 T HA 0.294 4.644 4.350 -0.000 0.000 0.367 594 T C 0.205 174.643 174.700 -0.437 0.000 1.229 594 T CA -0.485 61.429 62.100 -0.311 0.000 1.104 594 T CB 0.566 69.346 68.868 -0.146 0.000 1.083 594 T HN 0.541 nan 8.240 nan 0.000 0.524 595 R N 2.010 122.073 120.500 -0.728 0.000 2.173 595 R HA 0.109 4.449 4.340 -0.000 0.000 0.208 595 R C -0.029 175.578 176.300 -1.154 0.000 1.035 595 R CA 0.412 55.885 56.100 -1.044 0.000 1.004 595 R CB 0.447 29.767 30.300 -1.633 0.000 0.917 595 R HN 0.513 nan 8.270 nan 0.000 0.462 596 W N 3.191 124.176 121.300 -0.525 0.000 1.817 596 W HA 0.361 5.021 4.660 -0.000 0.000 0.289 596 W C -2.563 173.501 176.519 -0.759 0.000 0.841 596 W CA -2.376 54.609 57.345 -0.600 0.000 2.216 596 W CB 0.659 29.886 29.460 -0.389 0.000 2.396 596 W HN -0.052 nan 8.180 nan 0.000 0.421 597 P HA 0.139 nan 4.420 nan 0.000 0.268 597 P C 1.018 177.912 177.300 -0.677 0.000 1.204 597 P CA 1.327 63.889 63.100 -0.897 0.000 0.768 597 P CB 1.706 32.951 31.700 -0.758 0.000 0.842 598 G N 2.313 110.715 108.800 -0.664 0.000 2.307 598 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.210 598 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.210 598 G C 0.737 175.550 174.900 -0.144 0.000 1.005 598 G CA -0.161 44.802 45.100 -0.229 0.000 0.634 598 G HN 0.548 nan 8.290 nan 0.000 0.496 599 Y N -0.654 119.415 120.300 -0.384 0.000 2.539 599 Y HA 0.446 4.996 4.550 -0.000 0.000 0.284 599 Y C 1.000 176.814 175.900 -0.144 0.000 1.134 599 Y CA 0.398 58.310 58.100 -0.312 0.000 1.251 599 Y CB 0.763 39.093 38.460 -0.218 0.000 1.260 599 Y HN 0.510 nan 8.280 nan 0.000 0.528 600 Y N -2.734 117.487 120.300 -0.133 0.000 2.620 600 Y HA 0.532 5.082 4.550 -0.000 0.000 0.331 600 Y C -2.441 173.333 175.900 -0.209 0.000 1.173 600 Y CA -2.346 55.727 58.100 -0.045 0.000 1.076 600 Y CB 0.253 38.763 38.460 0.083 0.000 1.336 600 Y HN -0.073 nan 8.280 nan 0.000 0.459 601 Y N 1.819 122.284 120.300 0.275 0.000 2.391 601 Y HA 0.642 5.192 4.550 0.000 0.000 0.341 601 Y C -0.162 175.867 175.900 0.215 0.000 0.965 601 Y CA -1.163 57.014 58.100 0.129 0.000 1.067 601 Y CB 2.176 40.699 38.460 0.104 0.000 1.199 601 Y HN 0.501 nan 8.280 nan 0.000 0.450 602 R N 1.615 122.295 120.500 0.300 0.000 2.215 602 R HA 0.158 4.498 4.340 -0.000 0.000 0.337 602 R C 0.770 177.174 176.300 0.174 0.000 1.010 602 R CA 0.023 56.274 56.100 0.252 0.000 0.871 602 R CB 0.916 31.363 30.300 0.244 0.000 1.134 602 R HN 0.951 nan 8.270 nan 0.000 0.477 603 T N -1.796 112.837 114.554 0.131 0.000 2.977 603 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 603 T C 1.082 175.774 174.700 -0.014 0.000 1.105 603 T CA 1.307 63.441 62.100 0.057 0.000 1.116 603 T CB -0.050 68.835 68.868 0.029 0.000 0.878 603 T HN 0.529 nan 8.240 nan 0.000 0.509 604 D N -0.402 119.975 120.400 -0.039 0.000 2.348 604 D HA -0.021 4.619 4.640 -0.000 0.000 0.211 604 D C -0.097 175.904 176.300 -0.498 0.000 0.998 604 D CA 0.094 53.953 54.000 -0.235 0.000 0.873 604 D CB -0.393 40.268 40.800 -0.233 0.000 0.925 604 D HN 0.608 nan 8.370 nan 0.000 0.524 605 Y N 0.222 120.511 120.300 -0.019 0.000 2.497 605 Y HA 0.258 4.808 4.550 0.000 0.000 0.333 605 Y C -1.884 173.993 175.900 -0.039 0.000 1.046 605 Y CA -1.573 56.499 58.100 -0.046 0.000 1.160 605 Y CB 1.856 40.258 38.460 -0.096 0.000 1.123 605 Y HN -0.132 nan 8.280 nan 0.000 0.638 606 P HA -0.093 nan 4.420 nan 0.000 0.230 606 P C -0.084 177.239 177.300 0.039 0.000 1.158 606 P CA 1.180 64.319 63.100 0.065 0.000 0.769 606 P CB 0.703 32.428 31.700 0.042 0.000 0.807 607 E N 0.067 120.279 120.200 0.021 0.000 2.227 607 E HA 0.314 4.664 4.350 -0.000 0.000 0.268 607 E C -0.117 176.459 176.600 -0.040 0.000 0.990 607 E CA -1.263 55.127 56.400 -0.017 0.000 0.856 607 E CB 1.277 30.961 29.700 -0.027 0.000 1.159 607 E HN 0.063 nan 8.360 nan 0.000 0.401 608 L N 2.154 123.350 121.223 -0.045 0.000 2.331 608 L HA 0.253 4.593 4.340 -0.000 0.000 0.278 608 L C -0.193 176.652 176.870 -0.042 0.000 1.106 608 L CA -0.234 54.557 54.840 -0.082 0.000 0.824 608 L CB 0.438 42.487 42.059 -0.017 0.000 1.142 608 L HN 0.249 nan 8.230 nan 0.000 0.443 609 N N 3.503 122.188 118.700 -0.024 0.000 2.626 609 N HA 0.145 4.885 4.740 -0.000 0.000 0.242 609 N C -0.297 175.256 175.510 0.071 0.000 1.005 609 N CA -0.329 52.759 53.050 0.063 0.000 0.905 609 N CB 1.020 39.620 38.487 0.188 0.000 1.128 609 N HN 0.622 nan 8.380 nan 0.000 0.512 610 D N 1.666 122.088 120.400 0.037 0.000 2.340 610 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 610 D C 0.735 177.045 176.300 0.016 0.000 1.039 610 D CA 0.515 54.535 54.000 0.033 0.000 0.866 610 D CB 0.691 41.519 40.800 0.047 0.000 0.913 610 D HN 0.530 nan 8.370 nan 0.000 0.523 611 E N 0.243 120.448 120.200 0.009 0.000 2.122 611 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 611 E C 1.221 177.782 176.600 -0.066 0.000 0.977 611 E CA 0.885 57.273 56.400 -0.019 0.000 0.820 611 E CB 0.212 29.903 29.700 -0.014 0.000 0.770 611 E HN 0.133 nan 8.360 nan 0.000 0.462 612 E N -2.408 117.731 120.200 -0.102 0.000 2.606 612 E HA 0.162 4.512 4.350 -0.000 0.000 0.224 612 E C -0.001 176.263 176.600 -0.560 0.000 0.930 612 E CA -0.109 56.102 56.400 -0.316 0.000 1.125 612 E CB 0.343 29.810 29.700 -0.388 0.000 1.123 612 E HN 0.186 nan 8.360 nan 0.000 0.522 613 W N 0.829 122.085 121.300 -0.073 0.000 2.653 613 W HA 0.309 4.969 4.660 0.000 0.000 0.391 613 W C 0.438 176.904 176.519 -0.087 0.000 0.962 613 W CA -0.592 56.703 57.345 -0.084 0.000 1.900 613 W CB 0.814 30.194 29.460 -0.133 0.000 1.176 613 W HN -0.230 nan 8.180 nan 0.000 0.582 614 K N 2.437 122.872 120.400 0.059 0.000 2.502 614 K HA 0.267 4.587 4.320 -0.000 0.000 0.244 614 K C -0.385 176.229 176.600 0.024 0.000 1.249 614 K CA 0.060 56.355 56.287 0.014 0.000 1.193 614 K CB -0.649 31.865 32.500 0.023 0.000 1.674 614 K HN 0.148 nan 8.250 nan 0.000 0.302 615 C N -0.985 118.331 119.300 0.028 0.000 3.241 615 C HA 0.584 5.044 4.460 -0.000 0.000 0.312 615 C C -0.586 174.418 174.990 0.023 0.000 1.350 615 C CA -1.600 57.436 59.018 0.030 0.000 1.415 615 C CB 0.358 28.161 27.740 0.105 0.000 1.770 615 C HN 0.341 nan 8.230 nan 0.000 0.466 616 F N 0.953 121.072 119.950 0.281 0.000 2.384 616 F HA 0.551 5.078 4.527 0.000 0.000 0.338 616 F C 0.565 176.494 175.800 0.215 0.000 1.103 616 F CA -0.445 57.709 58.000 0.256 0.000 1.157 616 F CB 1.218 40.328 39.000 0.184 0.000 1.167 616 F HN 0.437 nan 8.300 nan 0.000 0.529 617 V N 3.147 123.354 119.914 0.489 0.000 2.350 617 V HA 0.268 4.388 4.120 -0.000 0.000 0.276 617 V C -0.493 175.790 176.094 0.315 0.000 1.028 617 V CA -0.612 61.959 62.300 0.452 0.000 0.860 617 V CB 0.782 32.989 31.823 0.640 0.000 0.990 617 V HN 0.841 nan 8.190 nan 0.000 0.453 618 C N 4.312 123.628 119.300 0.026 0.000 2.417 618 C HA 0.858 5.318 4.460 -0.000 0.000 0.324 618 C C 0.484 175.294 174.990 -0.300 0.000 1.240 618 C CA -0.636 58.294 59.018 -0.147 0.000 1.632 618 C CB 1.216 28.638 27.740 -0.530 0.000 2.241 618 C HN 0.936 nan 8.230 nan 0.000 0.499 619 S N 1.921 117.434 115.700 -0.311 0.000 2.632 619 S HA 0.801 5.271 4.470 -0.000 0.000 0.289 619 S C -1.304 173.117 174.600 -0.298 0.000 1.115 619 S CA -0.773 57.053 58.200 -0.623 0.000 0.889 619 S CB 1.757 64.275 63.200 -1.136 0.000 1.116 619 S HN 0.835 nan 8.310 nan 0.000 0.486 620 K N 0.715 120.942 120.400 -0.289 0.000 2.482 620 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 620 K C -2.282 174.175 176.600 -0.239 0.000 0.936 620 K CA -0.690 55.478 56.287 -0.198 0.000 0.791 620 K CB 1.725 34.113 32.500 -0.187 0.000 1.213 620 K HN 0.769 nan 8.250 nan 0.000 0.428 621 Y N 3.244 123.246 120.300 -0.497 0.000 2.331 621 Y HA 0.286 4.836 4.550 0.000 0.000 0.338 621 Y C -0.952 174.663 175.900 -0.475 0.000 0.992 621 Y CA -0.869 56.748 58.100 -0.805 0.000 1.121 621 Y CB 1.274 38.967 38.460 -1.279 0.000 1.184 621 Y HN 0.566 nan 8.280 nan 0.000 0.469 622 D N 5.153 124.929 120.400 -1.039 0.000 2.412 622 D HA 0.308 4.948 4.640 -0.000 0.000 0.224 622 D C 0.486 176.150 176.300 -1.060 0.000 1.093 622 D CA 0.223 53.768 54.000 -0.759 0.000 0.850 622 D CB 1.770 42.312 40.800 -0.431 0.000 1.046 622 D HN 0.849 nan 8.370 nan 0.000 0.507 623 A N 4.131 126.459 122.820 -0.820 0.000 1.933 623 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 623 A C 1.877 179.313 177.584 -0.246 0.000 1.175 623 A CA 1.206 52.947 52.037 -0.494 0.000 0.628 623 A CB -0.190 18.698 19.000 -0.186 0.000 0.814 623 A HN 0.552 nan 8.150 nan 0.000 0.444 624 E N -0.023 120.050 120.200 -0.213 0.000 2.153 624 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 624 E C 1.767 178.307 176.600 -0.100 0.000 0.988 624 E CA 1.436 57.767 56.400 -0.116 0.000 0.811 624 E CB -0.052 29.587 29.700 -0.103 0.000 0.746 624 E HN 0.674 nan 8.360 nan 0.000 0.466 625 K N -0.469 119.837 120.400 -0.157 0.000 2.354 625 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 625 K C -0.081 176.470 176.600 -0.081 0.000 1.038 625 K CA 0.562 56.788 56.287 -0.102 0.000 1.052 625 K CB 0.628 33.063 32.500 -0.108 0.000 0.861 625 K HN -0.064 nan 8.250 nan 0.000 0.535 626 D N 2.384 122.682 120.400 -0.170 0.000 2.699 626 D HA -0.160 4.480 4.640 -0.000 0.000 0.239 626 D C -1.262 175.080 176.300 0.070 0.000 1.136 626 D CA 0.939 54.937 54.000 -0.002 0.000 0.668 626 D CB -1.060 39.852 40.800 0.186 0.000 1.060 626 D HN 0.385 nan 8.370 nan 0.000 0.429 627 E N -0.494 119.614 120.200 -0.154 0.000 2.266 627 E HA 0.553 4.903 4.350 -0.000 0.000 0.268 627 E C -0.528 176.065 176.600 -0.012 0.000 0.879 627 E CA -0.915 55.510 56.400 0.041 0.000 0.762 627 E CB 0.985 30.690 29.700 0.010 0.000 1.199 627 E HN 0.119 nan 8.360 nan 0.000 0.422 628 W N 1.431 122.826 121.300 0.157 0.000 2.520 628 W HA 0.377 5.037 4.660 0.000 0.000 0.323 628 W C -0.138 176.421 176.519 0.066 0.000 1.062 628 W CA -0.373 57.056 57.345 0.139 0.000 1.215 628 W CB 1.913 31.521 29.460 0.247 0.000 1.340 628 W HN 0.327 nan 8.180 nan 0.000 0.516 629 T N -0.069 114.550 114.554 0.108 0.000 2.861 629 T HA 0.760 5.110 4.350 -0.000 0.000 0.287 629 T C -1.116 173.467 174.700 -0.194 0.000 1.003 629 T CA -0.718 61.408 62.100 0.043 0.000 0.977 629 T CB 1.248 70.099 68.868 -0.029 0.000 0.996 629 T HN 0.097 nan 8.240 nan 0.000 0.448 630 F N 1.081 120.895 119.950 -0.227 0.000 2.561 630 F HA 0.682 5.209 4.527 0.000 0.000 0.321 630 F C 0.369 175.942 175.800 -0.379 0.000 1.065 630 F CA -0.707 56.983 58.000 -0.517 0.000 0.934 630 F CB 2.275 40.489 39.000 -1.309 0.000 1.215 630 F HN 0.888 nan 8.300 nan 0.000 0.471 631 E N 0.456 120.557 120.200 -0.164 0.000 2.390 631 E HA 0.543 4.893 4.350 -0.000 0.000 0.277 631 E C -2.004 174.626 176.600 0.051 0.000 0.939 631 E CA -1.342 55.042 56.400 -0.027 0.000 0.769 631 E CB 2.300 31.954 29.700 -0.077 0.000 1.251 631 E HN 0.455 nan 8.360 nan 0.000 0.450 632 K N 1.192 121.664 120.400 0.120 0.000 2.235 632 K HA 0.447 4.767 4.320 -0.000 0.000 0.266 632 K C -1.145 175.507 176.600 0.087 0.000 0.980 632 K CA -0.837 55.537 56.287 0.146 0.000 0.849 632 K CB 2.175 34.728 32.500 0.088 0.000 1.098 632 K HN 0.262 nan 8.250 nan 0.000 0.445 633 V N 5.350 125.343 119.914 0.131 0.000 2.293 633 V HA 0.215 4.335 4.120 -0.000 0.000 0.275 633 V C -2.284 174.024 176.094 0.358 0.000 1.021 633 V CA -2.322 60.106 62.300 0.213 0.000 0.815 633 V CB 0.944 32.856 31.823 0.148 0.000 1.025 633 V HN 0.622 nan 8.190 nan 0.000 0.448 634 P HA -0.015 nan 4.420 nan 0.000 0.265 634 P C -0.701 176.854 177.300 0.424 0.000 1.187 634 P CA 0.142 63.392 63.100 0.250 0.000 0.766 634 P CB 0.218 32.011 31.700 0.154 0.000 0.820 635 Y N 4.802 125.213 120.300 0.184 0.000 2.346 635 Y HA 0.388 4.938 4.550 0.000 0.000 0.330 635 Y C -0.301 175.771 175.900 0.287 0.000 1.178 635 Y CA -0.233 58.041 58.100 0.290 0.000 1.331 635 Y CB 0.570 39.023 38.460 -0.012 0.000 1.253 635 Y HN 0.233 nan 8.280 nan 0.000 0.529 636 V N 4.046 123.676 119.914 -0.474 0.000 2.709 636 V HA 0.407 4.527 4.120 -0.000 0.000 0.308 636 V C -0.848 174.740 176.094 -0.844 0.000 1.062 636 V CA -1.232 60.747 62.300 -0.534 0.000 0.901 636 V CB 1.594 33.220 31.823 -0.327 0.000 1.003 636 V HN 0.882 nan 8.190 nan 0.000 0.425 637 Q N 1.929 121.409 119.800 -0.534 0.000 2.293 637 Q HA 0.427 4.767 4.340 -0.000 0.000 0.263 637 Q C 0.082 176.002 176.000 -0.134 0.000 1.002 637 Q CA -0.221 55.438 55.803 -0.239 0.000 0.910 637 Q CB 1.772 30.430 28.738 -0.133 0.000 1.185 637 Q HN 0.831 nan 8.270 nan 0.000 0.401 638 V N 4.922 124.830 119.914 -0.009 0.000 2.685 638 V HA 0.035 4.155 4.120 -0.000 0.000 0.244 638 V C 0.745 176.874 176.094 0.057 0.000 1.054 638 V CA 0.500 62.806 62.300 0.010 0.000 1.076 638 V CB 0.266 32.127 31.823 0.063 0.000 0.725 638 V HN 0.684 nan 8.190 nan 0.000 0.467 639 I N 0.819 121.484 120.570 0.159 0.000 2.488 639 I HA 0.301 4.471 4.170 -0.000 0.000 0.299 639 I C 0.377 176.607 176.117 0.189 0.000 0.984 639 I CA -0.581 60.840 61.300 0.202 0.000 1.250 639 I CB 1.194 39.373 38.000 0.297 0.000 1.389 639 I HN 0.312 nan 8.210 nan 0.000 0.488 640 E N 7.420 127.706 120.200 0.144 0.000 2.265 640 E HA 0.212 4.562 4.350 -0.000 0.000 0.272 640 E C -1.465 175.285 176.600 0.251 0.000 1.067 640 E CA -0.211 56.242 56.400 0.089 0.000 0.900 640 E CB 0.680 30.420 29.700 0.067 0.000 1.017 640 E HN 0.558 nan 8.360 nan 0.000 0.431 641 W N 2.072 123.414 121.300 0.070 0.000 3.173 641 W HA 0.354 5.014 4.660 -0.000 0.000 0.313 641 W C -1.945 174.628 176.519 0.090 0.000 1.228 641 W CA -0.804 56.588 57.345 0.079 0.000 1.185 641 W CB 0.126 29.642 29.460 0.093 0.000 1.390 641 W HN 0.486 nan 8.180 nan 0.000 0.568 642 S N 0.854 116.824 115.700 0.450 0.000 2.595 642 S HA 0.708 5.178 4.470 -0.000 0.000 0.281 642 S C -1.044 173.860 174.600 0.508 0.000 1.117 642 S CA -0.696 57.686 58.200 0.302 0.000 0.873 642 S CB 2.952 66.233 63.200 0.135 0.000 1.108 642 S HN 0.550 nan 8.310 nan 0.000 0.477 643 F N 0.000 120.141 119.950 0.319 0.000 2.286 643 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 643 F CA 0.000 58.159 58.000 0.265 0.000 1.383 643 F CB 0.000 39.106 39.000 0.177 0.000 1.145 643 F HN 0.000 nan 8.300 nan 0.000 0.574