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 2ejw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEALKIALLG GGTVGSAFYN LVLERAEELS AFGVVPRFLG VLVRDPRKPR DATA SEQUENCE AIPQELLRAE PFDLLEADLV VEAMGGVEAP LRLVLPALEA GIPLITANKA DATA SEQUENCE LLAEAWESLR PFAEEGLIYH EASVMAGTPA LSFLETLRGS ELLELHGILN DATA SEQUENCE GTTLYILQEM EKGRTYAEAL LEAQRLGYAE ADPTLDVEGI DAAHKLTLLA DATA SEQUENCE RLLVDPGFPF AEVEAQGIAR LTPEVLQKAE ARGERVRLVA SLFGEGGRWR DATA SEQUENCE AAVAPRRLPQ DHPLARARGN ALWVRARPLG EAFVTGPGAG GGATASGLFA DATA SEQUENCE DLLRFLSGAP GHLPAPRARP PLEEGSPWPG V 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 E N 0.039 120.254 120.200 0.026 0.000 2.393 2 E HA 0.846 5.195 4.350 -0.001 0.000 0.265 2 E C -1.240 175.377 176.600 0.028 0.000 0.941 2 E CA -1.035 55.381 56.400 0.026 0.000 0.801 2 E CB 2.475 32.193 29.700 0.030 0.000 1.313 2 E HN 0.638 nan 8.360 nan 0.000 0.435 3 A N 0.847 123.682 122.820 0.025 0.000 2.306 3 A HA 0.582 4.901 4.320 -0.001 0.000 0.330 3 A C -1.210 176.385 177.584 0.018 0.000 1.146 3 A CA -0.471 51.577 52.037 0.019 0.000 0.827 3 A CB 0.632 19.640 19.000 0.014 0.000 1.178 3 A HN 0.344 nan 8.150 nan 0.000 0.490 4 L N 1.673 122.896 121.223 0.000 0.000 2.356 4 L HA 0.384 4.723 4.340 -0.001 0.000 0.264 4 L C -0.331 176.497 176.870 -0.070 0.000 1.029 4 L CA -0.079 54.752 54.840 -0.014 0.000 0.897 4 L CB 0.292 42.344 42.059 -0.013 0.000 1.256 4 L HN 0.624 nan 8.230 nan 0.000 0.444 5 K N 5.667 126.035 120.400 -0.052 0.000 2.297 5 K HA 0.476 4.796 4.320 -0.001 0.000 0.286 5 K C -0.819 175.721 176.600 -0.100 0.000 1.053 5 K CA 0.015 56.264 56.287 -0.063 0.000 0.940 5 K CB 1.069 33.562 32.500 -0.012 0.000 1.019 5 K HN 0.519 nan 8.250 nan 0.000 0.475 6 I N 2.138 122.612 120.570 -0.160 0.000 2.433 6 I HA 0.316 4.486 4.170 -0.001 0.000 0.292 6 I C -0.373 175.787 176.117 0.071 0.000 1.001 6 I CA -0.885 60.329 61.300 -0.144 0.000 1.119 6 I CB 2.003 39.746 38.000 -0.427 0.000 1.289 6 I HN 0.574 nan 8.210 nan 0.000 0.438 7 A N 6.846 129.750 122.820 0.140 0.000 2.258 7 A HA 0.690 5.010 4.320 -0.001 0.000 0.316 7 A C -1.004 176.754 177.584 0.290 0.000 1.279 7 A CA -0.430 51.785 52.037 0.297 0.000 0.876 7 A CB 0.853 19.964 19.000 0.185 0.000 1.170 7 A HN 0.595 nan 8.150 nan 0.000 0.520 8 L N 3.783 125.266 121.223 0.432 0.000 2.272 8 L HA 0.580 4.919 4.340 -0.001 0.000 0.289 8 L C -0.930 176.092 176.870 0.253 0.000 1.032 8 L CA -0.219 54.833 54.840 0.352 0.000 0.810 8 L CB 0.962 43.299 42.059 0.463 0.000 1.205 8 L HN 0.601 nan 8.230 nan 0.000 0.422 9 L N 6.178 127.479 121.223 0.129 0.000 2.276 9 L HA 0.776 5.115 4.340 -0.001 0.000 0.286 9 L C 0.230 177.135 176.870 0.058 0.000 1.024 9 L CA -0.546 54.339 54.840 0.075 0.000 0.826 9 L CB 1.034 43.089 42.059 -0.007 0.000 1.211 9 L HN 0.871 nan 8.230 nan 0.000 0.422 10 G N 1.724 110.564 108.800 0.066 0.000 3.438 10 G HA2 0.039 3.999 3.960 -0.001 0.000 0.684 10 G HA3 0.039 3.999 3.960 -0.001 0.000 0.684 10 G C 0.019 174.947 174.900 0.048 0.000 1.192 10 G CA -0.423 44.703 45.100 0.044 0.000 1.013 10 G HN 0.839 nan 8.290 nan 0.000 0.530 11 G N 0.564 109.377 108.800 0.022 0.000 3.690 11 G HA2 0.647 4.607 3.960 -0.001 0.000 0.283 11 G HA3 0.647 4.607 3.960 -0.001 0.000 0.283 11 G C 0.974 175.872 174.900 -0.003 0.000 1.057 11 G CA 0.977 46.074 45.100 -0.005 0.000 0.821 11 G HN 1.284 nan 8.290 nan 0.000 0.526 12 G N 0.090 108.900 108.800 0.015 0.000 2.485 12 G HA2 0.297 4.257 3.960 -0.001 0.000 0.260 12 G HA3 0.297 4.257 3.960 -0.001 0.000 0.260 12 G C 1.253 176.168 174.900 0.026 0.000 1.459 12 G CA 0.689 45.798 45.100 0.015 0.000 1.060 12 G HN 0.061 nan 8.290 nan 0.000 0.546 13 T N -0.438 114.132 114.554 0.026 0.000 2.699 13 T HA -0.166 4.183 4.350 -0.001 0.000 0.268 13 T C 2.479 177.213 174.700 0.058 0.000 1.036 13 T CA 1.583 63.703 62.100 0.035 0.000 1.147 13 T CB -0.286 68.601 68.868 0.031 0.000 0.862 13 T HN 0.114 nan 8.240 nan 0.000 0.446 14 V N 1.158 121.111 119.914 0.064 0.000 2.323 14 V HA -0.014 4.106 4.120 -0.001 0.000 0.244 14 V C 2.906 179.083 176.094 0.139 0.000 1.041 14 V CA 1.836 64.190 62.300 0.090 0.000 1.025 14 V CB -1.371 30.491 31.823 0.066 0.000 0.656 14 V HN 0.585 nan 8.190 nan 0.000 0.451 15 G N -0.860 108.008 108.800 0.115 0.000 2.440 15 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 15 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 15 G C 1.952 176.960 174.900 0.180 0.000 1.154 15 G CA 1.417 46.612 45.100 0.159 0.000 0.767 15 G HN 0.489 nan 8.290 nan 0.000 0.552 16 S N 0.672 116.433 115.700 0.103 0.000 2.368 16 S HA 0.074 4.543 4.470 -0.001 0.000 0.224 16 S C 2.720 177.395 174.600 0.125 0.000 1.029 16 S CA 1.595 59.847 58.200 0.087 0.000 0.988 16 S CB -0.451 62.771 63.200 0.036 0.000 0.838 16 S HN 0.560 nan 8.310 nan 0.000 0.462 17 A N 0.454 123.346 122.820 0.119 0.000 1.898 17 A HA 0.027 4.347 4.320 -0.001 0.000 0.216 17 A C 1.972 179.630 177.584 0.124 0.000 1.181 17 A CA 1.510 53.606 52.037 0.099 0.000 0.620 17 A CB -1.008 18.051 19.000 0.098 0.000 0.819 17 A HN 0.675 nan 8.150 nan 0.000 0.442 18 F N -0.828 119.168 119.950 0.077 0.000 2.146 18 F HA -0.143 4.383 4.527 -0.002 0.000 0.298 18 F C 2.086 177.966 175.800 0.135 0.000 1.096 18 F CA 1.613 59.684 58.000 0.119 0.000 1.275 18 F CB -0.616 38.488 39.000 0.173 0.000 1.008 18 F HN 0.380 nan 8.300 nan 0.000 0.480 19 Y N 1.534 121.774 120.300 -0.100 0.000 2.128 19 Y HA -0.277 4.272 4.550 -0.001 0.000 0.284 19 Y C 2.323 178.043 175.900 -0.299 0.000 1.154 19 Y CA 2.384 60.256 58.100 -0.379 0.000 1.149 19 Y CB -0.936 37.261 38.460 -0.438 0.000 0.976 19 Y HN 0.072 nan 8.280 nan 0.000 0.505 20 N N 0.183 118.718 118.700 -0.275 0.000 2.331 20 N HA -0.134 4.605 4.740 -0.001 0.000 0.180 20 N C 1.819 177.143 175.510 -0.310 0.000 1.019 20 N CA 1.181 54.049 53.050 -0.303 0.000 0.881 20 N CB -0.321 38.109 38.487 -0.094 0.000 0.972 20 N HN 0.392 nan 8.380 nan 0.000 0.435 21 L N 1.163 122.200 121.223 -0.310 0.000 2.056 21 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 21 L C 2.088 178.631 176.870 -0.545 0.000 1.078 21 L CA 1.164 55.765 54.840 -0.398 0.000 0.749 21 L CB -0.543 41.288 42.059 -0.380 0.000 0.901 21 L HN -0.156 nan 8.230 nan 0.000 0.433 22 V N -0.614 118.983 119.914 -0.529 0.000 2.343 22 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 22 V C 2.508 178.476 176.094 -0.209 0.000 1.051 22 V CA 1.585 63.694 62.300 -0.319 0.000 1.036 22 V CB -0.559 31.154 31.823 -0.183 0.000 0.654 22 V HN 0.346 nan 8.190 nan 0.000 0.451 23 L N -0.105 120.945 121.223 -0.289 0.000 2.056 23 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 23 L C 2.472 179.240 176.870 -0.171 0.000 1.078 23 L CA 1.932 56.634 54.840 -0.229 0.000 0.749 23 L CB -0.925 40.926 42.059 -0.346 0.000 0.901 23 L HN 0.397 nan 8.230 nan 0.000 0.433 24 E N 0.336 120.412 120.200 -0.207 0.000 2.110 24 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 24 E C 1.629 178.149 176.600 -0.133 0.000 0.988 24 E CA 1.346 57.651 56.400 -0.159 0.000 0.804 24 E CB 0.069 29.664 29.700 -0.176 0.000 0.745 24 E HN 0.370 nan 8.360 nan 0.000 0.458 25 R N -0.645 119.750 120.500 -0.175 0.000 2.586 25 R HA 0.414 4.753 4.340 -0.001 0.000 0.336 25 R C 1.486 177.810 176.300 0.040 0.000 1.060 25 R CA 0.382 56.431 56.100 -0.084 0.000 1.079 25 R CB 0.703 30.894 30.300 -0.181 0.000 1.317 25 R HN 0.103 nan 8.270 nan 0.000 0.568 26 A N 1.638 124.464 122.820 0.009 0.000 1.908 26 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 26 A C 2.069 179.695 177.584 0.070 0.000 1.181 26 A CA 1.348 53.416 52.037 0.052 0.000 0.627 26 A CB -0.191 18.816 19.000 0.011 0.000 0.818 26 A HN 0.225 nan 8.150 nan 0.000 0.445 27 E N 0.378 120.605 120.200 0.045 0.000 2.160 27 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 27 E C 1.794 178.434 176.600 0.067 0.000 0.991 27 E CA 1.446 57.872 56.400 0.044 0.000 0.810 27 E CB -0.280 29.434 29.700 0.023 0.000 0.742 27 E HN 0.761 nan 8.360 nan 0.000 0.466 28 E N 0.209 120.467 120.200 0.097 0.000 2.160 28 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 28 E C 2.216 178.926 176.600 0.184 0.000 0.991 28 E CA 0.873 57.353 56.400 0.132 0.000 0.810 28 E CB -0.123 29.692 29.700 0.192 0.000 0.742 28 E HN 0.329 nan 8.360 nan 0.000 0.466 29 L N 0.427 121.779 121.223 0.216 0.000 2.362 29 L HA -0.118 4.222 4.340 -0.001 0.000 0.219 29 L C 2.741 179.741 176.870 0.217 0.000 1.134 29 L CA 0.737 55.745 54.840 0.280 0.000 0.807 29 L CB -0.730 41.440 42.059 0.184 0.000 0.927 29 L HN 0.185 nan 8.230 nan 0.000 0.447 30 S N 0.955 116.722 115.700 0.111 0.000 2.442 30 S HA -0.079 4.390 4.470 -0.001 0.000 0.236 30 S C 2.219 176.821 174.600 0.003 0.000 1.007 30 S CA 1.336 59.569 58.200 0.055 0.000 0.965 30 S CB -0.291 62.925 63.200 0.027 0.000 0.773 30 S HN 0.389 nan 8.310 nan 0.000 0.504 31 A N -0.331 122.457 122.820 -0.054 0.000 2.125 31 A HA 0.265 4.584 4.320 -0.001 0.000 0.219 31 A C 1.360 178.675 177.584 -0.448 0.000 1.156 31 A CA 0.858 52.734 52.037 -0.267 0.000 0.671 31 A CB -0.522 18.248 19.000 -0.384 0.000 0.794 31 A HN 0.544 nan 8.150 nan 0.000 0.459 32 F N -1.176 118.765 119.950 -0.015 0.000 2.653 32 F HA 0.385 4.911 4.527 -0.001 0.000 0.304 32 F C 1.640 177.424 175.800 -0.027 0.000 1.092 32 F CA 0.444 58.426 58.000 -0.031 0.000 1.279 32 F CB 0.349 39.323 39.000 -0.044 0.000 1.044 32 F HN 0.288 nan 8.300 nan 0.000 0.564 33 G N 1.405 110.258 108.800 0.088 0.000 2.147 33 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.244 33 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.244 33 G C -0.137 174.804 174.900 0.068 0.000 1.005 33 G CA 0.255 45.389 45.100 0.057 0.000 0.713 33 G HN 0.566 nan 8.290 nan 0.000 0.515 34 V N -3.597 116.373 119.914 0.092 0.000 3.040 34 V HA 0.929 5.049 4.120 -0.001 0.000 0.312 34 V C -0.123 176.008 176.094 0.061 0.000 1.115 34 V CA -1.199 61.144 62.300 0.072 0.000 0.998 34 V CB 2.555 34.424 31.823 0.076 0.000 1.042 34 V HN 0.712 nan 8.190 nan 0.000 0.433 35 V N 3.287 123.224 119.914 0.039 0.000 2.443 35 V HA 0.514 4.633 4.120 -0.001 0.000 0.293 35 V C -2.386 173.713 176.094 0.009 0.000 1.021 35 V CA -1.374 60.943 62.300 0.029 0.000 0.848 35 V CB 1.728 33.565 31.823 0.025 0.000 0.998 35 V HN 0.962 nan 8.190 nan 0.000 0.424 36 P HA 0.410 nan 4.420 nan 0.000 0.275 36 P C -0.810 176.458 177.300 -0.055 0.000 1.227 36 P CA -0.490 62.573 63.100 -0.061 0.000 0.781 36 P CB 1.503 33.159 31.700 -0.074 0.000 0.906 37 R N 2.394 122.827 120.500 -0.112 0.000 2.535 37 R HA 0.465 4.804 4.340 -0.001 0.000 0.274 37 R C -1.319 174.932 176.300 -0.082 0.000 1.090 37 R CA -0.615 55.475 56.100 -0.017 0.000 0.930 37 R CB 1.006 31.320 30.300 0.022 0.000 1.223 37 R HN 0.212 nan 8.270 nan 0.000 0.441 38 F N 4.667 124.677 119.950 0.101 0.000 2.404 38 F HA 0.286 4.813 4.527 -0.001 0.000 0.345 38 F C 1.282 177.125 175.800 0.073 0.000 1.110 38 F CA -0.434 57.644 58.000 0.129 0.000 1.130 38 F CB 1.312 40.441 39.000 0.215 0.000 1.129 38 F HN 0.441 nan 8.300 nan 0.000 0.500 39 L N 2.301 123.650 121.223 0.211 0.000 2.209 39 L HA 0.290 4.630 4.340 -0.001 0.000 0.207 39 L C 1.044 177.894 176.870 -0.033 0.000 1.094 39 L CA 0.508 55.414 54.840 0.110 0.000 0.790 39 L CB -0.364 41.790 42.059 0.158 0.000 0.932 39 L HN 0.794 nan 8.230 nan 0.000 0.447 40 G N -1.192 107.597 108.800 -0.018 0.000 2.355 40 G HA2 0.398 4.358 3.960 -0.001 0.000 0.296 40 G HA3 0.398 4.358 3.960 -0.001 0.000 0.296 40 G C -1.982 172.869 174.900 -0.082 0.000 1.507 40 G CA -0.550 44.333 45.100 -0.361 0.000 0.823 40 G HN -0.327 nan 8.290 nan 0.000 0.569 41 V N 1.168 121.002 119.914 -0.133 0.000 2.409 41 V HA 0.477 4.596 4.120 -0.001 0.000 0.290 41 V C -0.168 175.983 176.094 0.094 0.000 1.017 41 V CA -0.714 61.613 62.300 0.047 0.000 0.841 41 V CB 1.305 33.063 31.823 -0.108 0.000 1.003 41 V HN 0.843 nan 8.190 nan 0.000 0.426 42 L N 7.935 129.337 121.223 0.298 0.000 2.360 42 L HA 0.636 4.976 4.340 -0.001 0.000 0.276 42 L C -0.057 176.875 176.870 0.103 0.000 1.121 42 L CA 0.636 55.630 54.840 0.257 0.000 0.845 42 L CB 1.121 43.337 42.059 0.262 0.000 1.143 42 L HN 0.611 nan 8.230 nan 0.000 0.452 43 V N 3.491 123.442 119.914 0.061 0.000 3.130 43 V HA 0.660 4.779 4.120 -0.001 0.000 0.310 43 V C 0.821 176.926 176.094 0.019 0.000 1.158 43 V CA -0.889 61.425 62.300 0.022 0.000 1.029 43 V CB 1.853 33.670 31.823 -0.009 0.000 1.057 43 V HN 0.730 nan 8.190 nan 0.000 0.436 44 R N 0.794 121.299 120.500 0.009 0.000 2.073 44 R HA 0.156 4.495 4.340 -0.001 0.000 0.229 44 R C -0.036 176.265 176.300 0.002 0.000 1.120 44 R CA 1.530 57.634 56.100 0.007 0.000 0.967 44 R CB -0.318 29.983 30.300 0.003 0.000 0.862 44 R HN 0.965 nan 8.270 nan 0.000 0.436 45 D N -0.108 120.289 120.400 -0.006 0.000 2.478 45 D HA 0.154 4.794 4.640 -0.001 0.000 0.240 45 D C -2.080 174.208 176.300 -0.020 0.000 1.364 45 D CA -1.754 52.240 54.000 -0.011 0.000 0.987 45 D CB 1.723 42.517 40.800 -0.010 0.000 1.328 45 D HN -0.169 nan 8.370 nan 0.000 0.584 46 P HA -0.077 nan 4.420 nan 0.000 0.236 46 P C 1.170 178.449 177.300 -0.036 0.000 1.172 46 P CA 0.500 63.577 63.100 -0.038 0.000 0.759 46 P CB 0.143 31.818 31.700 -0.042 0.000 0.843 47 R N 0.367 120.851 120.500 -0.027 0.000 2.193 47 R HA 0.137 4.476 4.340 -0.001 0.000 0.213 47 R C 1.690 177.974 176.300 -0.025 0.000 1.055 47 R CA 1.421 57.506 56.100 -0.025 0.000 0.995 47 R CB -1.605 28.684 30.300 -0.019 0.000 0.893 47 R HN 0.456 nan 8.270 nan 0.000 0.459 48 K N 1.798 122.183 120.400 -0.026 0.000 2.219 48 K HA 0.459 4.778 4.320 -0.001 0.000 0.258 48 K C -2.348 174.234 176.600 -0.031 0.000 1.008 48 K CA -1.446 54.826 56.287 -0.025 0.000 0.928 48 K CB -0.450 32.036 32.500 -0.023 0.000 0.983 48 K HN 0.334 nan 8.250 nan 0.000 0.484 49 P HA 0.327 nan 4.420 nan 0.000 0.271 49 P C -0.751 176.528 177.300 -0.035 0.000 1.226 49 P CA -0.127 62.955 63.100 -0.030 0.000 0.765 49 P CB 0.589 32.274 31.700 -0.025 0.000 0.835 50 R N 2.394 122.867 120.500 -0.044 0.000 2.626 50 R HA 0.599 4.938 4.340 -0.001 0.000 0.274 50 R C -0.422 175.843 176.300 -0.058 0.000 1.031 50 R CA -0.755 55.313 56.100 -0.054 0.000 0.898 50 R CB 1.589 31.843 30.300 -0.076 0.000 1.222 50 R HN 0.391 nan 8.270 nan 0.000 0.455 51 A N 5.207 128.001 122.820 -0.044 0.000 2.543 51 A HA 0.287 4.607 4.320 -0.001 0.000 0.258 51 A C -0.050 177.509 177.584 -0.042 0.000 1.391 51 A CA 0.184 52.208 52.037 -0.021 0.000 1.066 51 A CB -0.589 18.417 19.000 0.011 0.000 0.972 51 A HN 0.470 nan 8.150 nan 0.000 0.560 52 I N -0.114 120.360 120.570 -0.159 0.000 2.582 52 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 52 I C -2.630 173.323 176.117 -0.273 0.000 1.066 52 I CA -2.515 58.544 61.300 -0.401 0.000 1.053 52 I CB 2.452 40.076 38.000 -0.627 0.000 1.241 52 I HN -0.021 nan 8.210 nan 0.000 0.421 53 P HA -0.035 nan 4.420 nan 0.000 0.261 53 P C 0.299 177.511 177.300 -0.147 0.000 1.183 53 P CA 0.067 63.088 63.100 -0.132 0.000 0.761 53 P CB 0.623 32.279 31.700 -0.074 0.000 0.785 54 Q N 4.564 124.303 119.800 -0.101 0.000 2.133 54 Q HA -0.274 4.066 4.340 -0.001 0.000 0.208 54 Q C 1.714 177.658 176.000 -0.094 0.000 0.991 54 Q CA 2.402 58.150 55.803 -0.091 0.000 0.867 54 Q CB -0.557 28.143 28.738 -0.063 0.000 0.911 54 Q HN 0.654 nan 8.270 nan 0.000 0.417 55 E N -0.698 119.454 120.200 -0.080 0.000 2.267 55 E HA -0.192 4.157 4.350 -0.001 0.000 0.197 55 E C 1.770 178.310 176.600 -0.101 0.000 0.998 55 E CA 1.125 57.480 56.400 -0.075 0.000 0.830 55 E CB -0.395 29.275 29.700 -0.050 0.000 0.751 55 E HN 0.454 nan 8.360 nan 0.000 0.491 56 L N 0.832 121.977 121.223 -0.130 0.000 2.418 56 L HA 0.148 4.487 4.340 -0.001 0.000 0.218 56 L C 1.062 177.809 176.870 -0.205 0.000 1.125 56 L CA -0.090 54.651 54.840 -0.164 0.000 0.835 56 L CB 0.057 41.996 42.059 -0.199 0.000 0.953 56 L HN 0.133 nan 8.230 nan 0.000 0.454 57 L N 1.164 122.281 121.223 -0.177 0.000 2.426 57 L HA 0.163 4.502 4.340 -0.001 0.000 0.271 57 L C -0.030 176.756 176.870 -0.139 0.000 1.169 57 L CA 0.010 54.760 54.840 -0.151 0.000 0.836 57 L CB 0.217 42.207 42.059 -0.116 0.000 1.112 57 L HN 0.097 nan 8.230 nan 0.000 0.465 58 R N 2.358 122.794 120.500 -0.107 0.000 2.502 58 R HA 0.397 4.736 4.340 -0.001 0.000 0.300 58 R C 0.184 176.503 176.300 0.032 0.000 0.984 58 R CA -0.474 55.591 56.100 -0.057 0.000 0.882 58 R CB 1.766 32.008 30.300 -0.096 0.000 1.180 58 R HN 0.746 nan 8.270 nan 0.000 0.444 59 A N 2.382 125.217 122.820 0.024 0.000 2.132 59 A HA 0.070 4.390 4.320 -0.001 0.000 0.213 59 A C 0.253 177.868 177.584 0.052 0.000 1.154 59 A CA 0.743 52.798 52.037 0.030 0.000 0.753 59 A CB 0.245 19.251 19.000 0.010 0.000 0.826 59 A HN 0.666 nan 8.150 nan 0.000 0.469 60 E N -0.025 120.222 120.200 0.077 0.000 2.277 60 E HA 0.432 4.782 4.350 -0.001 0.000 0.266 60 E C -2.812 173.877 176.600 0.147 0.000 0.901 60 E CA -2.583 53.866 56.400 0.082 0.000 0.782 60 E CB 0.949 30.684 29.700 0.059 0.000 1.228 60 E HN -0.022 nan 8.360 nan 0.000 0.424 61 P HA -0.063 nan 4.420 nan 0.000 0.264 61 P C -1.151 176.226 177.300 0.129 0.000 1.179 61 P CA 0.532 63.658 63.100 0.043 0.000 0.763 61 P CB 0.128 31.809 31.700 -0.032 0.000 0.806 62 F N -0.875 119.072 119.950 -0.004 0.000 2.588 62 F HA 0.528 5.054 4.527 -0.001 0.000 0.314 62 F C -0.120 175.678 175.800 -0.003 0.000 1.069 62 F CA -1.895 56.104 58.000 -0.001 0.000 0.931 62 F CB 0.734 39.736 39.000 0.004 0.000 1.260 62 F HN 0.102 nan 8.300 nan 0.000 0.465 63 D N 1.799 122.276 120.400 0.130 0.000 2.533 63 D HA 0.069 4.709 4.640 -0.001 0.000 0.236 63 D C 0.316 176.624 176.300 0.013 0.000 1.137 63 D CA 0.447 54.466 54.000 0.032 0.000 0.867 63 D CB 0.781 41.622 40.800 0.068 0.000 1.170 63 D HN 0.688 nan 8.370 nan 0.000 0.474 64 L N 3.397 124.561 121.223 -0.098 0.000 2.638 64 L HA 0.106 4.445 4.340 -0.001 0.000 0.232 64 L C 1.887 178.734 176.870 -0.038 0.000 1.099 64 L CA -0.240 54.542 54.840 -0.098 0.000 0.883 64 L CB -0.082 41.858 42.059 -0.199 0.000 1.136 64 L HN 0.513 nan 8.230 nan 0.000 0.492 65 L N 0.153 121.360 121.223 -0.028 0.000 2.447 65 L HA -0.164 4.175 4.340 -0.001 0.000 0.225 65 L C 1.784 178.654 176.870 -0.000 0.000 1.148 65 L CA 1.217 56.046 54.840 -0.019 0.000 0.808 65 L CB -0.377 41.673 42.059 -0.015 0.000 0.928 65 L HN 0.388 nan 8.230 nan 0.000 0.448 66 E N 0.134 120.346 120.200 0.020 0.000 2.474 66 E HA 0.150 4.499 4.350 -0.001 0.000 0.194 66 E C 0.925 177.537 176.600 0.020 0.000 1.041 66 E CA -0.118 56.297 56.400 0.025 0.000 0.874 66 E CB 0.335 30.059 29.700 0.040 0.000 0.914 66 E HN 0.410 nan 8.360 nan 0.000 0.498 67 A N 1.291 124.119 122.820 0.014 0.000 2.445 67 A HA 0.006 4.325 4.320 -0.001 0.000 0.242 67 A C 0.519 178.082 177.584 -0.035 0.000 1.075 67 A CA -0.130 51.905 52.037 -0.004 0.000 0.777 67 A CB 0.382 19.380 19.000 -0.005 0.000 1.013 67 A HN -0.002 nan 8.150 nan 0.000 0.493 68 D N 0.049 120.416 120.400 -0.055 0.000 2.301 68 D HA 0.199 4.839 4.640 -0.001 0.000 0.206 68 D C -0.040 176.135 176.300 -0.208 0.000 0.979 68 D CA 1.137 55.094 54.000 -0.071 0.000 0.874 68 D CB 0.178 40.962 40.800 -0.027 0.000 0.968 68 D HN 0.442 nan 8.370 nan 0.000 0.510 69 L N 0.274 121.365 121.223 -0.220 0.000 2.472 69 L HA 0.369 4.709 4.340 -0.001 0.000 0.260 69 L C -1.073 175.695 176.870 -0.169 0.000 0.963 69 L CA -0.799 53.859 54.840 -0.303 0.000 0.829 69 L CB 3.319 45.127 42.059 -0.418 0.000 1.348 69 L HN -0.399 nan 8.230 nan 0.000 0.408 70 V N 2.952 122.769 119.914 -0.163 0.000 2.417 70 V HA 0.485 4.604 4.120 -0.001 0.000 0.291 70 V C -0.344 175.687 176.094 -0.106 0.000 1.024 70 V CA -0.616 61.623 62.300 -0.100 0.000 0.861 70 V CB 2.107 33.860 31.823 -0.116 0.000 0.985 70 V HN 0.411 nan 8.190 nan 0.000 0.436 71 V N 4.488 124.366 119.914 -0.060 0.000 2.417 71 V HA 0.556 4.675 4.120 -0.001 0.000 0.291 71 V C -0.150 175.897 176.094 -0.079 0.000 1.024 71 V CA -0.480 61.742 62.300 -0.131 0.000 0.861 71 V CB 1.744 33.424 31.823 -0.238 0.000 0.985 71 V HN 0.871 nan 8.190 nan 0.000 0.436 72 E N 3.697 123.839 120.200 -0.097 0.000 2.248 72 E HA 0.757 5.106 4.350 -0.001 0.000 0.267 72 E C -0.841 175.723 176.600 -0.059 0.000 0.877 72 E CA -0.664 55.700 56.400 -0.060 0.000 0.759 72 E CB 2.212 31.876 29.700 -0.060 0.000 1.182 72 E HN 0.731 nan 8.360 nan 0.000 0.418 73 A N 5.627 128.428 122.820 -0.032 0.000 3.339 73 A HA 0.219 4.538 4.320 -0.001 0.000 0.219 73 A C 0.398 177.979 177.584 -0.005 0.000 0.974 73 A CA -0.273 51.751 52.037 -0.020 0.000 1.050 73 A CB -0.214 18.778 19.000 -0.013 0.000 1.271 73 A HN 0.664 nan 8.150 nan 0.000 0.565 74 M N 0.278 119.870 119.600 -0.013 0.000 2.435 74 M HA 0.281 4.761 4.480 -0.001 0.000 0.265 74 M C 1.250 177.544 176.300 -0.010 0.000 1.104 74 M CA 1.436 56.731 55.300 -0.008 0.000 1.140 74 M CB 0.146 32.737 32.600 -0.014 0.000 1.372 74 M HN 1.027 nan 8.290 nan 0.000 0.456 75 G N 0.316 109.104 108.800 -0.020 0.000 2.781 75 G HA2 0.195 4.155 3.960 -0.001 0.000 0.683 75 G HA3 0.195 4.155 3.960 -0.001 0.000 0.683 75 G C -0.019 174.863 174.900 -0.029 0.000 1.390 75 G CA -0.474 44.613 45.100 -0.021 0.000 0.850 75 G HN 0.943 nan 8.290 nan 0.000 0.557 76 G N -2.347 106.432 108.800 -0.034 0.000 2.796 76 G HA2 0.243 4.203 3.960 -0.001 0.000 0.571 76 G HA3 0.243 4.203 3.960 -0.001 0.000 0.571 76 G C 0.647 175.511 174.900 -0.061 0.000 1.370 76 G CA 0.544 45.623 45.100 -0.035 0.000 0.856 76 G HN 1.990 nan 8.290 nan 0.000 0.538 77 V N -0.981 118.902 119.914 -0.051 0.000 3.264 77 V HA 0.250 4.370 4.120 -0.001 0.000 0.217 77 V C 2.260 178.331 176.094 -0.040 0.000 1.236 77 V CA 1.701 63.964 62.300 -0.060 0.000 1.287 77 V CB -0.293 31.492 31.823 -0.063 0.000 1.241 77 V HN 0.847 nan 8.190 nan 0.000 0.518 78 E N 1.397 121.582 120.200 -0.025 0.000 2.085 78 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 78 E C 2.047 178.632 176.600 -0.024 0.000 0.994 78 E CA 1.944 58.333 56.400 -0.018 0.000 0.801 78 E CB -0.478 29.218 29.700 -0.008 0.000 0.743 78 E HN 0.512 nan 8.360 nan 0.000 0.453 79 A N 0.666 123.471 122.820 -0.025 0.000 1.858 79 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 79 A C -0.168 177.391 177.584 -0.042 0.000 1.190 79 A CA 1.717 53.737 52.037 -0.029 0.000 0.617 79 A CB -1.703 17.284 19.000 -0.022 0.000 0.827 79 A HN 0.282 nan 8.150 nan 0.000 0.443 80 P HA -0.149 nan 4.420 nan 0.000 0.215 80 P C 1.690 178.951 177.300 -0.065 0.000 1.153 80 P CA 0.972 64.038 63.100 -0.057 0.000 0.853 80 P CB -0.098 31.569 31.700 -0.055 0.000 0.788 81 L N 0.054 121.245 121.223 -0.053 0.000 2.013 81 L HA -0.176 4.164 4.340 -0.001 0.000 0.212 81 L C 2.189 179.024 176.870 -0.058 0.000 1.073 81 L CA 1.974 56.785 54.840 -0.050 0.000 0.753 81 L CB -0.852 41.190 42.059 -0.029 0.000 0.890 81 L HN -0.171 nan 8.230 nan 0.000 0.432 82 R N -0.972 119.497 120.500 -0.051 0.000 2.189 82 R HA -0.038 4.301 4.340 -0.001 0.000 0.223 82 R C 2.140 178.394 176.300 -0.076 0.000 1.092 82 R CA 1.166 57.234 56.100 -0.053 0.000 0.989 82 R CB -0.308 29.968 30.300 -0.039 0.000 0.876 82 R HN 0.423 nan 8.270 nan 0.000 0.457 83 L N 0.177 121.346 121.223 -0.090 0.000 2.162 83 L HA -0.045 4.294 4.340 -0.001 0.000 0.205 83 L C 2.380 179.162 176.870 -0.146 0.000 1.086 83 L CA 0.566 55.333 54.840 -0.122 0.000 0.778 83 L CB -0.279 41.702 42.059 -0.129 0.000 0.928 83 L HN 0.077 nan 8.230 nan 0.000 0.446 84 V N -3.240 116.590 119.914 -0.140 0.000 2.788 84 V HA -0.074 4.045 4.120 -0.001 0.000 0.251 84 V C 2.197 178.156 176.094 -0.224 0.000 1.068 84 V CA 0.646 62.843 62.300 -0.171 0.000 1.090 84 V CB -0.397 31.335 31.823 -0.152 0.000 0.710 84 V HN 0.279 nan 8.190 nan 0.000 0.467 85 L N 0.214 121.316 121.223 -0.201 0.000 2.013 85 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 85 L C 0.303 177.026 176.870 -0.246 0.000 1.073 85 L CA 2.290 56.979 54.840 -0.250 0.000 0.753 85 L CB -1.860 40.131 42.059 -0.113 0.000 0.890 85 L HN 0.363 nan 8.230 nan 0.000 0.432 86 P HA -0.162 nan 4.420 nan 0.000 0.216 86 P C 1.388 178.600 177.300 -0.147 0.000 1.150 86 P CA 1.721 64.746 63.100 -0.125 0.000 0.837 86 P CB 0.013 31.654 31.700 -0.099 0.000 0.786 87 A N -0.656 122.056 122.820 -0.180 0.000 1.873 87 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 87 A C 2.197 179.654 177.584 -0.211 0.000 1.186 87 A CA 1.286 53.222 52.037 -0.168 0.000 0.616 87 A CB -1.607 17.293 19.000 -0.168 0.000 0.823 87 A HN 0.086 nan 8.150 nan 0.000 0.442 88 L N -0.411 120.593 121.223 -0.365 0.000 2.046 88 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 88 L C 2.540 179.154 176.870 -0.427 0.000 1.077 88 L CA 1.655 56.157 54.840 -0.564 0.000 0.747 88 L CB -0.626 40.701 42.059 -1.220 0.000 0.896 88 L HN 0.487 nan 8.230 nan 0.000 0.432 89 E N 0.054 120.053 120.200 -0.335 0.000 2.204 89 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 89 E C 1.867 178.488 176.600 0.035 0.000 0.990 89 E CA 0.986 57.402 56.400 0.026 0.000 0.821 89 E CB -0.091 29.635 29.700 0.043 0.000 0.750 89 E HN 0.489 nan 8.360 nan 0.000 0.477 90 A N 0.286 123.087 122.820 -0.031 0.000 2.307 90 A HA 0.333 4.653 4.320 -0.001 0.000 0.218 90 A C 1.571 179.158 177.584 0.006 0.000 1.228 90 A CA 0.611 52.643 52.037 -0.008 0.000 0.857 90 A CB -0.142 18.841 19.000 -0.028 0.000 0.897 90 A HN 0.290 nan 8.150 nan 0.000 0.495 91 G N -0.627 108.182 108.800 0.015 0.000 2.143 91 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.249 91 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.249 91 G C 0.044 174.958 174.900 0.023 0.000 0.981 91 G CA 0.279 45.405 45.100 0.042 0.000 0.665 91 G HN 0.491 nan 8.290 nan 0.000 0.528 92 I N 1.632 122.183 120.570 -0.031 0.000 2.342 92 I HA 0.291 4.461 4.170 -0.001 0.000 0.291 92 I C -1.862 174.208 176.117 -0.079 0.000 1.010 92 I CA -2.340 58.925 61.300 -0.058 0.000 1.308 92 I CB 1.399 39.346 38.000 -0.087 0.000 1.400 92 I HN -0.133 nan 8.210 nan 0.000 0.488 93 P HA 0.113 nan 4.420 nan 0.000 0.272 93 P C -0.935 176.298 177.300 -0.111 0.000 1.223 93 P CA -0.334 62.733 63.100 -0.055 0.000 0.784 93 P CB 0.682 32.316 31.700 -0.110 0.000 0.923 94 L N 3.902 125.121 121.223 -0.008 0.000 2.313 94 L HA 0.502 4.841 4.340 -0.001 0.000 0.283 94 L C -1.090 175.811 176.870 0.051 0.000 1.013 94 L CA -0.185 54.637 54.840 -0.030 0.000 0.816 94 L CB 0.604 42.642 42.059 -0.035 0.000 1.236 94 L HN 0.240 nan 8.230 nan 0.000 0.419 95 I N 4.821 125.364 120.570 -0.044 0.000 2.354 95 I HA 0.384 4.553 4.170 -0.001 0.000 0.286 95 I C -0.108 175.983 176.117 -0.043 0.000 1.007 95 I CA -0.198 61.091 61.300 -0.018 0.000 1.167 95 I CB 1.637 39.537 38.000 -0.166 0.000 1.320 95 I HN 0.635 nan 8.210 nan 0.000 0.458 96 T N 3.685 118.260 114.554 0.034 0.000 2.906 96 T HA 0.694 5.043 4.350 -0.001 0.000 0.295 96 T C 0.194 174.906 174.700 0.020 0.000 1.075 96 T CA -0.197 61.901 62.100 -0.005 0.000 1.005 96 T CB 1.923 70.785 68.868 -0.010 0.000 1.136 96 T HN 0.591 nan 8.240 nan 0.000 0.498 97 A N 2.624 125.437 122.820 -0.013 0.000 2.469 97 A HA 0.354 4.673 4.320 -0.001 0.000 0.245 97 A C 0.796 178.372 177.584 -0.012 0.000 1.221 97 A CA -0.238 51.799 52.037 -0.000 0.000 0.946 97 A CB -0.102 18.893 19.000 -0.009 0.000 1.049 97 A HN 0.647 nan 8.150 nan 0.000 0.529 98 N N 1.914 120.593 118.700 -0.034 0.000 2.549 98 N HA 0.005 4.744 4.740 -0.001 0.000 0.267 98 N C 1.202 176.646 175.510 -0.110 0.000 1.182 98 N CA 0.058 53.068 53.050 -0.067 0.000 1.019 98 N CB 0.635 39.078 38.487 -0.074 0.000 1.380 98 N HN 0.438 nan 8.380 nan 0.000 0.505 99 K N 2.346 122.683 120.400 -0.104 0.000 2.211 99 K HA -0.089 4.230 4.320 -0.001 0.000 0.203 99 K C 1.344 177.720 176.600 -0.374 0.000 1.050 99 K CA 0.946 57.143 56.287 -0.150 0.000 0.945 99 K CB -0.564 31.909 32.500 -0.045 0.000 0.732 99 K HN 0.290 nan 8.250 nan 0.000 0.451 100 A N 2.199 124.741 122.820 -0.464 0.000 1.858 100 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 100 A C 2.312 179.585 177.584 -0.518 0.000 1.190 100 A CA 1.492 53.028 52.037 -0.834 0.000 0.617 100 A CB -0.695 18.030 19.000 -0.459 0.000 0.827 100 A HN 0.303 nan 8.150 nan 0.000 0.443 101 L N -0.020 121.036 121.223 -0.279 0.000 2.012 101 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 101 L C 2.268 179.064 176.870 -0.124 0.000 1.073 101 L CA 1.928 56.670 54.840 -0.164 0.000 0.748 101 L CB -0.554 41.442 42.059 -0.106 0.000 0.891 101 L HN 0.406 nan 8.230 nan 0.000 0.431 102 L N -0.640 120.495 121.223 -0.147 0.000 2.056 102 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 102 L C 2.693 179.495 176.870 -0.113 0.000 1.078 102 L CA 1.097 55.890 54.840 -0.078 0.000 0.749 102 L CB -1.020 40.901 42.059 -0.231 0.000 0.901 102 L HN 0.400 nan 8.230 nan 0.000 0.433 103 A N -0.029 122.630 122.820 -0.268 0.000 1.898 103 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 103 A C 2.113 179.589 177.584 -0.180 0.000 1.181 103 A CA 1.471 53.342 52.037 -0.277 0.000 0.620 103 A CB -0.269 18.465 19.000 -0.443 0.000 0.819 103 A HN 0.464 nan 8.150 nan 0.000 0.442 104 E N -1.103 118.950 120.200 -0.246 0.000 2.452 104 E HA 0.259 4.608 4.350 -0.001 0.000 0.197 104 E C 0.906 177.525 176.600 0.033 0.000 1.022 104 E CA 0.483 56.829 56.400 -0.090 0.000 0.890 104 E CB 0.214 29.816 29.700 -0.163 0.000 0.918 104 E HN 0.504 nan 8.360 nan 0.000 0.496 105 A N 0.499 123.350 122.820 0.053 0.000 2.637 105 A HA 0.080 4.399 4.320 -0.001 0.000 0.293 105 A C 0.974 178.665 177.584 0.178 0.000 1.216 105 A CA -0.691 51.398 52.037 0.088 0.000 0.956 105 A CB -0.752 18.269 19.000 0.035 0.000 1.174 105 A HN 0.410 nan 8.150 nan 0.000 0.525 106 W N 0.671 121.960 121.300 -0.019 0.000 2.342 106 W HA -0.225 4.434 4.660 -0.002 0.000 0.297 106 W C 1.561 178.085 176.519 0.008 0.000 1.213 106 W CA 1.862 59.205 57.345 -0.004 0.000 1.251 106 W CB 0.167 29.636 29.460 0.014 0.000 1.136 106 W HN 0.708 nan 8.180 nan 0.000 0.526 107 E N -0.137 120.108 120.200 0.076 0.000 2.130 107 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 107 E C 2.045 178.576 176.600 -0.114 0.000 0.998 107 E CA 1.995 58.367 56.400 -0.047 0.000 0.806 107 E CB -0.219 29.492 29.700 0.017 0.000 0.738 107 E HN 0.046 nan 8.360 nan 0.000 0.459 108 S N -0.382 115.287 115.700 -0.053 0.000 2.456 108 S HA 0.100 4.569 4.470 -0.001 0.000 0.224 108 S C 1.756 176.359 174.600 0.004 0.000 1.035 108 S CA 0.197 58.387 58.200 -0.018 0.000 0.940 108 S CB 0.148 63.372 63.200 0.040 0.000 0.799 108 S HN 0.234 nan 8.310 nan 0.000 0.508 109 L N 1.018 122.208 121.223 -0.055 0.000 2.307 109 L HA 0.184 4.523 4.340 -0.001 0.000 0.211 109 L C 2.515 179.152 176.870 -0.389 0.000 1.099 109 L CA 0.440 55.265 54.840 -0.025 0.000 0.816 109 L CB -0.371 41.725 42.059 0.060 0.000 0.952 109 L HN 0.197 nan 8.230 nan 0.000 0.455 110 R N 1.073 120.971 120.500 -1.005 0.000 2.113 110 R HA -0.184 4.155 4.340 -0.001 0.000 0.244 110 R C -0.447 175.468 176.300 -0.641 0.000 1.142 110 R CA 2.121 57.402 56.100 -1.365 0.000 0.953 110 R CB -1.241 28.154 30.300 -1.509 0.000 0.860 110 R HN 0.231 nan 8.270 nan 0.000 0.438 111 P HA -0.191 nan 4.420 nan 0.000 0.216 111 P C 0.980 177.988 177.300 -0.486 0.000 1.153 111 P CA 1.614 64.394 63.100 -0.535 0.000 0.858 111 P CB -0.251 31.035 31.700 -0.689 0.000 0.789 112 F N 0.478 120.328 119.950 -0.167 0.000 2.206 112 F HA 0.027 4.553 4.527 -0.001 0.000 0.298 112 F C 2.749 178.506 175.800 -0.073 0.000 1.090 112 F CA 0.873 58.815 58.000 -0.097 0.000 1.323 112 F CB -1.303 37.650 39.000 -0.078 0.000 1.028 112 F HN -0.087 nan 8.300 nan 0.000 0.492 113 A N 0.105 122.953 122.820 0.046 0.000 1.933 113 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 113 A C 2.143 179.755 177.584 0.047 0.000 1.175 113 A CA 1.475 53.563 52.037 0.085 0.000 0.628 113 A CB -0.492 18.601 19.000 0.154 0.000 0.814 113 A HN 0.255 nan 8.150 nan 0.000 0.444 114 E N 0.170 120.349 120.200 -0.036 0.000 2.204 114 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 114 E C 1.448 178.036 176.600 -0.020 0.000 0.990 114 E CA 1.203 57.586 56.400 -0.029 0.000 0.821 114 E CB -0.274 29.376 29.700 -0.083 0.000 0.750 114 E HN 0.788 nan 8.360 nan 0.000 0.477 115 E N -0.399 119.793 120.200 -0.014 0.000 2.502 115 E HA 0.082 4.431 4.350 -0.001 0.000 0.194 115 E C 0.792 177.410 176.600 0.031 0.000 1.062 115 E CA 0.332 56.739 56.400 0.012 0.000 0.867 115 E CB 0.202 29.925 29.700 0.039 0.000 0.888 115 E HN 0.319 nan 8.360 nan 0.000 0.510 116 G N 1.130 109.938 108.800 0.015 0.000 2.160 116 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.244 116 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.244 116 G C 0.607 175.500 174.900 -0.012 0.000 1.022 116 G CA 0.169 45.246 45.100 -0.039 0.000 0.741 116 G HN 0.313 nan 8.290 nan 0.000 0.508 117 L N -0.626 120.647 121.223 0.082 0.000 2.607 117 L HA 0.421 4.760 4.340 -0.001 0.000 0.228 117 L C 1.053 178.041 176.870 0.197 0.000 1.123 117 L CA 0.276 55.218 54.840 0.170 0.000 0.890 117 L CB 0.195 42.356 42.059 0.171 0.000 1.103 117 L HN 0.285 nan 8.230 nan 0.000 0.468 118 I N -0.661 119.985 120.570 0.128 0.000 2.389 118 I HA 0.226 4.396 4.170 -0.001 0.000 0.288 118 I C -1.130 175.132 176.117 0.243 0.000 0.999 118 I CA -0.639 60.795 61.300 0.222 0.000 1.129 118 I CB 1.235 39.363 38.000 0.214 0.000 1.288 118 I HN -0.134 nan 8.210 nan 0.000 0.444 119 Y N 4.410 124.859 120.300 0.249 0.000 2.331 119 Y HA 0.333 4.882 4.550 -0.001 0.000 0.338 119 Y C 0.406 176.519 175.900 0.355 0.000 0.976 119 Y CA -0.882 57.425 58.100 0.344 0.000 1.137 119 Y CB 0.732 39.282 38.460 0.151 0.000 1.172 119 Y HN 0.570 nan 8.280 nan 0.000 0.478 120 H N -0.830 118.407 119.070 0.279 0.000 2.924 120 H HA 0.331 4.887 4.556 -0.001 0.000 0.229 120 H C 0.887 176.110 175.328 -0.176 0.000 1.345 120 H CA -0.320 55.736 56.048 0.013 0.000 1.044 120 H CB 0.392 30.151 29.762 -0.005 0.000 2.221 120 H HN 0.475 nan 8.280 nan 0.000 0.574 121 E N 2.039 122.096 120.200 -0.238 0.000 2.118 121 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 121 E C 2.081 178.628 176.600 -0.088 0.000 0.992 121 E CA 1.693 57.941 56.400 -0.253 0.000 0.804 121 E CB -0.277 29.415 29.700 -0.013 0.000 0.741 121 E HN 0.654 nan 8.360 nan 0.000 0.458 122 A N 0.080 122.898 122.820 -0.004 0.000 2.216 122 A HA -0.072 4.247 4.320 -0.001 0.000 0.214 122 A C 2.141 179.731 177.584 0.011 0.000 1.160 122 A CA 1.360 53.406 52.037 0.015 0.000 0.725 122 A CB -0.730 18.288 19.000 0.030 0.000 0.784 122 A HN 0.372 nan 8.150 nan 0.000 0.472 123 S N -1.353 114.360 115.700 0.021 0.000 2.522 123 S HA 0.201 4.671 4.470 -0.001 0.000 0.227 123 S C 0.292 174.902 174.600 0.017 0.000 0.986 123 S CA 0.489 58.711 58.200 0.037 0.000 0.929 123 S CB -0.205 63.057 63.200 0.104 0.000 0.769 123 S HN 0.198 nan 8.310 nan 0.000 0.529 124 V N 1.903 121.810 119.914 -0.012 0.000 2.524 124 V HA 0.434 4.553 4.120 -0.001 0.000 0.297 124 V C -0.119 175.955 176.094 -0.033 0.000 1.035 124 V CA -0.759 61.529 62.300 -0.020 0.000 0.867 124 V CB 0.951 32.751 31.823 -0.038 0.000 1.004 124 V HN 0.491 nan 8.190 nan 0.000 0.426 125 M N 2.584 122.169 119.600 -0.024 0.000 2.653 125 M HA -0.288 4.191 4.480 -0.001 0.000 0.203 125 M C 0.965 177.250 176.300 -0.025 0.000 0.502 125 M CA 0.940 56.219 55.300 -0.035 0.000 0.601 125 M CB -1.477 31.084 32.600 -0.066 0.000 2.228 125 M HN 1.566 nan 8.290 nan 0.000 0.711 126 A N -0.872 121.944 122.820 -0.008 0.000 5.481 126 A HA -0.259 4.060 4.320 -0.001 0.000 0.318 126 A C 1.250 178.843 177.584 0.015 0.000 1.837 126 A CA 1.937 53.980 52.037 0.009 0.000 0.717 126 A CB -1.908 17.101 19.000 0.014 0.000 1.349 126 A HN 1.388 nan 8.150 nan 0.000 0.388 127 G N -1.119 107.699 108.800 0.032 0.000 2.848 127 G HA2 0.373 4.332 3.960 -0.001 0.000 0.208 127 G HA3 0.373 4.332 3.960 -0.001 0.000 0.208 127 G C 0.609 175.527 174.900 0.029 0.000 1.152 127 G CA 1.440 46.569 45.100 0.048 0.000 0.789 127 G HN 1.114 nan 8.290 nan 0.000 0.531 128 T N 2.540 117.093 114.554 -0.001 0.000 2.901 128 T HA 0.324 4.673 4.350 -0.001 0.000 0.301 128 T C -2.451 172.232 174.700 -0.028 0.000 1.012 128 T CA -0.688 61.397 62.100 -0.025 0.000 1.135 128 T CB 1.601 70.432 68.868 -0.062 0.000 0.936 128 T HN -0.093 nan 8.240 nan 0.000 0.539 129 P HA 0.298 nan 4.420 nan 0.000 0.265 129 P C -0.326 176.959 177.300 -0.025 0.000 1.222 129 P CA 0.021 63.130 63.100 0.014 0.000 0.767 129 P CB 0.698 32.435 31.700 0.062 0.000 0.801 130 A N 3.580 126.394 122.820 -0.009 0.000 1.853 130 A HA 0.124 4.444 4.320 -0.001 0.000 0.204 130 A C 1.609 179.221 177.584 0.048 0.000 1.724 130 A CA 0.193 52.218 52.037 -0.019 0.000 1.105 130 A CB -0.648 18.307 19.000 -0.075 0.000 1.101 130 A HN 0.379 nan 8.150 nan 0.000 0.495 131 L N 1.233 122.427 121.223 -0.048 0.000 2.072 131 L HA -0.105 4.234 4.340 -0.001 0.000 0.205 131 L C 2.897 179.794 176.870 0.046 0.000 1.079 131 L CA 1.821 56.607 54.840 -0.090 0.000 0.752 131 L CB -0.525 41.289 42.059 -0.408 0.000 0.906 131 L HN 0.593 nan 8.230 nan 0.000 0.436 132 S N -0.044 115.714 115.700 0.096 0.000 2.402 132 S HA -0.223 4.246 4.470 -0.001 0.000 0.229 132 S C 1.933 176.597 174.600 0.106 0.000 1.021 132 S CA 0.812 59.082 58.200 0.117 0.000 0.974 132 S CB -0.870 62.404 63.200 0.124 0.000 0.800 132 S HN 0.382 nan 8.310 nan 0.000 0.484 133 F N 2.593 122.533 119.950 -0.017 0.000 2.102 133 F HA 0.060 4.586 4.527 -0.001 0.000 0.298 133 F C 1.946 177.728 175.800 -0.031 0.000 1.105 133 F CA 1.358 59.343 58.000 -0.025 0.000 1.239 133 F CB -0.365 38.611 39.000 -0.040 0.000 0.991 133 F HN 0.126 nan 8.300 nan 0.000 0.474 134 L N -0.065 121.199 121.223 0.068 0.000 2.141 134 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 134 L C 2.318 179.128 176.870 -0.101 0.000 1.094 134 L CA 1.249 56.052 54.840 -0.063 0.000 0.763 134 L CB -0.746 41.323 42.059 0.017 0.000 0.908 134 L HN 0.215 nan 8.230 nan 0.000 0.437 135 E N -0.356 119.816 120.200 -0.046 0.000 2.110 135 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 135 E C 2.006 178.558 176.600 -0.079 0.000 0.988 135 E CA 1.707 58.083 56.400 -0.040 0.000 0.804 135 E CB 0.006 29.708 29.700 0.003 0.000 0.745 135 E HN 0.411 nan 8.360 nan 0.000 0.458 136 T N 1.148 115.630 114.554 -0.120 0.000 2.985 136 T HA -0.019 4.330 4.350 -0.001 0.000 0.266 136 T C 1.539 176.124 174.700 -0.193 0.000 1.076 136 T CA 0.276 62.290 62.100 -0.143 0.000 1.135 136 T CB 0.094 68.870 68.868 -0.154 0.000 0.890 136 T HN 0.058 nan 8.240 nan 0.000 0.480 137 L N 1.290 122.348 121.223 -0.276 0.000 2.456 137 L HA 0.111 4.450 4.340 -0.001 0.000 0.224 137 L C 2.250 179.029 176.870 -0.151 0.000 1.148 137 L CA 1.178 55.860 54.840 -0.264 0.000 0.825 137 L CB -0.775 41.081 42.059 -0.339 0.000 0.937 137 L HN 0.255 nan 8.230 nan 0.000 0.450 138 R N -0.639 119.791 120.500 -0.117 0.000 2.241 138 R HA -0.116 4.224 4.340 -0.001 0.000 0.224 138 R C 2.130 178.393 176.300 -0.060 0.000 1.101 138 R CA 0.894 56.948 56.100 -0.076 0.000 0.995 138 R CB -0.352 29.913 30.300 -0.058 0.000 0.870 138 R HN 0.396 nan 8.270 nan 0.000 0.463 139 G N -0.338 108.420 108.800 -0.071 0.000 2.498 139 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.219 139 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.219 139 G C 0.371 175.245 174.900 -0.045 0.000 1.119 139 G CA 0.418 45.486 45.100 -0.054 0.000 0.766 139 G HN 0.152 nan 8.290 nan 0.000 0.552 140 S N -1.013 114.655 115.700 -0.054 0.000 2.751 140 S HA 0.505 4.974 4.470 -0.001 0.000 0.310 140 S C -0.867 173.720 174.600 -0.021 0.000 1.128 140 S CA -0.692 57.485 58.200 -0.037 0.000 0.931 140 S CB 2.029 65.200 63.200 -0.050 0.000 1.177 140 S HN 0.308 nan 8.310 nan 0.000 0.530 141 E N 1.099 121.301 120.200 0.002 0.000 2.156 141 E HA 0.325 4.674 4.350 -0.001 0.000 0.279 141 E C -1.043 175.590 176.600 0.055 0.000 0.965 141 E CA -0.685 55.738 56.400 0.038 0.000 0.789 141 E CB 1.318 31.050 29.700 0.053 0.000 1.098 141 E HN 0.277 nan 8.360 nan 0.000 0.397 142 L N 4.407 125.680 121.223 0.084 0.000 2.513 142 L HA -0.011 4.328 4.340 -0.001 0.000 0.272 142 L C 0.105 177.110 176.870 0.224 0.000 1.187 142 L CA 0.768 55.672 54.840 0.107 0.000 0.895 142 L CB 0.217 42.296 42.059 0.034 0.000 1.147 142 L HN 0.731 nan 8.230 nan 0.000 0.483 143 L N 3.483 124.789 121.223 0.138 0.000 2.185 143 L HA 0.259 4.598 4.340 -0.001 0.000 0.198 143 L C 0.258 177.253 176.870 0.208 0.000 1.079 143 L CA 0.374 55.298 54.840 0.139 0.000 0.780 143 L CB -0.065 42.032 42.059 0.063 0.000 0.955 143 L HN 0.794 nan 8.230 nan 0.000 0.462 144 E N -0.194 120.097 120.200 0.151 0.000 2.375 144 E HA 0.525 4.874 4.350 -0.001 0.000 0.280 144 E C -1.338 175.295 176.600 0.054 0.000 0.972 144 E CA -0.688 55.811 56.400 0.165 0.000 0.782 144 E CB 2.401 32.242 29.700 0.235 0.000 1.229 144 E HN 0.016 nan 8.360 nan 0.000 0.439 145 L N 2.337 123.524 121.223 -0.060 0.000 2.408 145 L HA 0.592 4.931 4.340 -0.001 0.000 0.268 145 L C -1.646 175.121 176.870 -0.171 0.000 0.986 145 L CA -0.515 54.313 54.840 -0.020 0.000 0.820 145 L CB 1.722 43.764 42.059 -0.027 0.000 1.303 145 L HN 0.699 nan 8.230 nan 0.000 0.411 146 H N 3.638 122.979 119.070 0.452 0.000 2.877 146 H HA 0.609 5.165 4.556 -0.001 0.000 0.347 146 H C -0.695 174.855 175.328 0.371 0.000 1.042 146 H CA -0.533 55.787 56.048 0.455 0.000 1.276 146 H CB 2.167 32.326 29.762 0.661 0.000 1.681 146 H HN 0.845 nan 8.280 nan 0.000 0.521 147 G N 1.444 110.443 108.800 0.332 0.000 2.642 147 G HA2 0.579 4.539 3.960 -0.001 0.000 0.293 147 G HA3 0.579 4.539 3.960 -0.001 0.000 0.293 147 G C -0.971 174.012 174.900 0.138 0.000 1.341 147 G CA -0.710 44.517 45.100 0.211 0.000 0.916 147 G HN 0.488 nan 8.290 nan 0.000 0.474 148 I N 1.857 122.477 120.570 0.084 0.000 2.428 148 I HA 0.228 4.397 4.170 -0.001 0.000 0.279 148 I C 0.539 176.673 176.117 0.028 0.000 1.040 148 I CA -0.283 61.044 61.300 0.044 0.000 1.171 148 I CB 1.320 39.333 38.000 0.021 0.000 1.312 148 I HN 0.313 nan 8.210 nan 0.000 0.470 149 L N 4.084 125.328 121.223 0.035 0.000 2.513 149 L HA 0.204 4.543 4.340 -0.001 0.000 0.222 149 L C 1.071 177.954 176.870 0.021 0.000 1.096 149 L CA 0.285 55.139 54.840 0.022 0.000 0.857 149 L CB -0.177 41.902 42.059 0.034 0.000 1.026 149 L HN 0.561 nan 8.230 nan 0.000 0.469 150 N N 0.745 119.462 118.700 0.029 0.000 2.426 150 N HA 0.107 4.846 4.740 -0.001 0.000 0.275 150 N C 0.830 176.353 175.510 0.021 0.000 1.019 150 N CA 0.194 53.263 53.050 0.031 0.000 0.941 150 N CB 2.256 40.769 38.487 0.044 0.000 1.123 150 N HN 0.039 nan 8.380 nan 0.000 0.486 151 G N 2.137 110.941 108.800 0.006 0.000 2.408 151 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.217 151 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.217 151 G C 1.192 176.092 174.900 -0.000 0.000 1.150 151 G CA 0.951 46.036 45.100 -0.024 0.000 0.776 151 G HN 0.605 nan 8.290 nan 0.000 0.542 152 T N 1.393 115.970 114.554 0.037 0.000 2.674 152 T HA -0.174 4.175 4.350 -0.001 0.000 0.265 152 T C 2.797 177.582 174.700 0.143 0.000 1.039 152 T CA 2.243 64.402 62.100 0.098 0.000 1.150 152 T CB -0.733 68.198 68.868 0.105 0.000 0.864 152 T HN 0.547 nan 8.240 nan 0.000 0.427 153 T N 0.773 115.391 114.554 0.106 0.000 2.995 153 T HA 0.052 4.401 4.350 -0.001 0.000 0.269 153 T C 1.898 176.642 174.700 0.073 0.000 1.091 153 T CA 0.538 62.700 62.100 0.104 0.000 1.128 153 T CB -0.413 68.504 68.868 0.082 0.000 0.891 153 T HN 0.166 nan 8.240 nan 0.000 0.492 154 L N 0.086 121.344 121.223 0.058 0.000 2.044 154 L HA 0.145 4.485 4.340 -0.001 0.000 0.205 154 L C 2.305 179.193 176.870 0.030 0.000 1.075 154 L CA 1.408 56.263 54.840 0.026 0.000 0.747 154 L CB -1.102 40.964 42.059 0.012 0.000 0.903 154 L HN 0.295 nan 8.230 nan 0.000 0.435 155 Y N 0.164 120.437 120.300 -0.046 0.000 2.128 155 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 155 Y C 2.321 178.225 175.900 0.008 0.000 1.154 155 Y CA 2.210 60.285 58.100 -0.042 0.000 1.149 155 Y CB -0.328 38.089 38.460 -0.073 0.000 0.976 155 Y HN 0.224 nan 8.280 nan 0.000 0.505 156 I N -0.117 120.488 120.570 0.059 0.000 2.163 156 I HA -0.366 3.803 4.170 -0.001 0.000 0.243 156 I C 2.315 178.394 176.117 -0.063 0.000 1.085 156 I CA 1.652 62.955 61.300 0.006 0.000 1.347 156 I CB -0.525 37.566 38.000 0.151 0.000 1.044 156 I HN 0.293 nan 8.210 nan 0.000 0.408 157 L N -0.116 121.089 121.223 -0.030 0.000 2.093 157 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 157 L C 2.592 179.405 176.870 -0.095 0.000 1.085 157 L CA 1.248 56.063 54.840 -0.042 0.000 0.755 157 L CB -0.715 41.326 42.059 -0.030 0.000 0.904 157 L HN 0.325 nan 8.230 nan 0.000 0.435 158 Q N -0.227 119.488 119.800 -0.141 0.000 2.170 158 Q HA -0.191 4.149 4.340 -0.001 0.000 0.203 158 Q C 2.083 177.967 176.000 -0.194 0.000 0.976 158 Q CA 1.158 56.866 55.803 -0.158 0.000 0.858 158 Q CB 0.018 28.653 28.738 -0.171 0.000 0.907 158 Q HN 0.454 nan 8.270 nan 0.000 0.433 159 E N 0.322 120.349 120.200 -0.289 0.000 2.086 159 E HA -0.039 4.311 4.350 -0.001 0.000 0.190 159 E C 1.895 178.419 176.600 -0.127 0.000 0.975 159 E CA 0.824 57.072 56.400 -0.254 0.000 0.813 159 E CB -0.070 29.396 29.700 -0.391 0.000 0.768 159 E HN 0.433 nan 8.360 nan 0.000 0.457 160 M N 0.510 120.056 119.600 -0.090 0.000 2.374 160 M HA -0.110 4.369 4.480 -0.001 0.000 0.264 160 M C 2.137 178.414 176.300 -0.038 0.000 1.067 160 M CA 0.996 56.276 55.300 -0.033 0.000 1.103 160 M CB -0.102 32.504 32.600 0.011 0.000 1.402 160 M HN 0.029 nan 8.290 nan 0.000 0.444 161 E N 1.052 121.216 120.200 -0.059 0.000 2.110 161 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 161 E C 1.470 178.041 176.600 -0.048 0.000 0.988 161 E CA 1.193 57.560 56.400 -0.055 0.000 0.804 161 E CB 0.186 29.844 29.700 -0.069 0.000 0.745 161 E HN 0.420 nan 8.360 nan 0.000 0.458 162 K N -1.442 118.925 120.400 -0.056 0.000 2.486 162 K HA 0.070 4.390 4.320 -0.001 0.000 0.194 162 K C 0.966 177.547 176.600 -0.032 0.000 1.033 162 K CA 0.515 56.776 56.287 -0.044 0.000 1.004 162 K CB 0.645 33.114 32.500 -0.051 0.000 0.798 162 K HN 0.305 nan 8.250 nan 0.000 0.495 163 G N 1.193 109.975 108.800 -0.029 0.000 2.192 163 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.193 163 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.193 163 G C -0.225 174.667 174.900 -0.012 0.000 0.999 163 G CA -0.657 44.433 45.100 -0.017 0.000 0.659 163 G HN 0.011 nan 8.290 nan 0.000 0.503 164 R N 1.920 122.408 120.500 -0.020 0.000 2.543 164 R HA 0.460 4.800 4.340 -0.001 0.000 0.277 164 R C 1.168 177.471 176.300 0.005 0.000 1.074 164 R CA 0.509 56.601 56.100 -0.013 0.000 1.076 164 R CB 0.156 30.437 30.300 -0.030 0.000 0.993 164 R HN 0.575 nan 8.270 nan 0.000 0.459 165 T N -1.145 113.419 114.554 0.017 0.000 2.766 165 T HA -0.022 4.328 4.350 -0.001 0.000 0.295 165 T C 1.320 176.061 174.700 0.069 0.000 1.024 165 T CA -0.435 61.694 62.100 0.049 0.000 1.018 165 T CB 0.370 69.266 68.868 0.048 0.000 1.002 165 T HN 0.572 nan 8.240 nan 0.000 0.532 166 Y N 1.636 121.938 120.300 0.004 0.000 2.097 166 Y HA -0.058 4.492 4.550 -0.001 0.000 0.282 166 Y C 2.693 178.609 175.900 0.026 0.000 1.152 166 Y CA 2.053 60.160 58.100 0.012 0.000 1.136 166 Y CB -1.173 37.294 38.460 0.011 0.000 0.975 166 Y HN 0.795 nan 8.280 nan 0.000 0.498 167 A N 0.211 122.951 122.820 -0.133 0.000 1.902 167 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 167 A C 2.117 179.610 177.584 -0.151 0.000 1.181 167 A CA 1.917 53.834 52.037 -0.200 0.000 0.623 167 A CB -0.773 18.211 19.000 -0.028 0.000 0.818 167 A HN 0.667 nan 8.150 nan 0.000 0.443 168 E N -0.321 119.835 120.200 -0.073 0.000 2.051 168 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 168 E C 2.380 178.960 176.600 -0.034 0.000 0.991 168 E CA 0.992 57.369 56.400 -0.038 0.000 0.799 168 E CB -0.298 29.395 29.700 -0.012 0.000 0.748 168 E HN 0.621 nan 8.360 nan 0.000 0.449 169 A N 1.287 124.075 122.820 -0.055 0.000 1.877 169 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 169 A C 2.200 179.807 177.584 0.038 0.000 1.186 169 A CA 1.228 53.262 52.037 -0.005 0.000 0.620 169 A CB -0.676 18.296 19.000 -0.047 0.000 0.822 169 A HN 0.242 nan 8.150 nan 0.000 0.443 170 L N -0.206 120.916 121.223 -0.170 0.000 2.012 170 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 170 L C 2.319 179.148 176.870 -0.068 0.000 1.073 170 L CA 1.754 56.492 54.840 -0.170 0.000 0.748 170 L CB -0.497 41.288 42.059 -0.457 0.000 0.891 170 L HN 0.415 nan 8.230 nan 0.000 0.431 171 L N -0.560 120.615 121.223 -0.081 0.000 2.012 171 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 171 L C 2.634 179.487 176.870 -0.028 0.000 1.073 171 L CA 1.946 56.757 54.840 -0.049 0.000 0.748 171 L CB -0.480 41.553 42.059 -0.042 0.000 0.891 171 L HN 0.456 nan 8.230 nan 0.000 0.431 172 E N -0.158 120.056 120.200 0.023 0.000 2.106 172 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 172 E C 2.172 178.733 176.600 -0.065 0.000 0.984 172 E CA 1.106 57.523 56.400 0.027 0.000 0.806 172 E CB -0.012 29.782 29.700 0.156 0.000 0.750 172 E HN 0.442 nan 8.360 nan 0.000 0.458 173 A N 0.610 123.450 122.820 0.033 0.000 1.908 173 A HA -0.287 4.032 4.320 -0.001 0.000 0.218 173 A C 2.090 179.575 177.584 -0.164 0.000 1.181 173 A CA 1.867 53.859 52.037 -0.074 0.000 0.627 173 A CB -0.559 18.538 19.000 0.161 0.000 0.818 173 A HN 0.360 nan 8.150 nan 0.000 0.445 174 Q N -0.962 118.781 119.800 -0.094 0.000 2.020 174 Q HA -0.092 4.248 4.340 -0.001 0.000 0.198 174 Q C 2.319 178.226 176.000 -0.155 0.000 0.974 174 Q CA 1.270 57.013 55.803 -0.099 0.000 0.829 174 Q CB -0.188 28.517 28.738 -0.056 0.000 0.894 174 Q HN 0.599 nan 8.270 nan 0.000 0.433 175 R N 0.373 120.786 120.500 -0.145 0.000 2.159 175 R HA -0.103 4.236 4.340 -0.001 0.000 0.237 175 R C 1.748 177.914 176.300 -0.224 0.000 1.131 175 R CA 0.897 56.910 56.100 -0.145 0.000 0.982 175 R CB -0.139 30.099 30.300 -0.104 0.000 0.868 175 R HN 0.257 nan 8.270 nan 0.000 0.453 176 L N -0.979 120.013 121.223 -0.385 0.000 2.607 176 L HA 0.217 4.556 4.340 -0.001 0.000 0.228 176 L C 1.127 177.602 176.870 -0.657 0.000 1.123 176 L CA 0.292 54.771 54.840 -0.601 0.000 0.890 176 L CB 0.458 41.904 42.059 -1.023 0.000 1.103 176 L HN 0.426 nan 8.230 nan 0.000 0.468 177 G N -0.792 107.755 108.800 -0.421 0.000 2.159 177 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.256 177 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.256 177 G C 0.477 175.304 174.900 -0.121 0.000 0.977 177 G CA 0.408 45.367 45.100 -0.236 0.000 0.652 177 G HN 0.260 nan 8.290 nan 0.000 0.531 178 Y N 0.321 120.550 120.300 -0.117 0.000 2.263 178 Y HA 0.518 5.067 4.550 -0.001 0.000 0.292 178 Y C 2.032 177.896 175.900 -0.059 0.000 1.130 178 Y CA 0.488 58.523 58.100 -0.109 0.000 1.179 178 Y CB -0.439 37.902 38.460 -0.199 0.000 0.998 178 Y HN 0.672 nan 8.280 nan 0.000 0.532 179 A N 0.164 123.035 122.820 0.084 0.000 2.355 179 A HA 0.568 4.887 4.320 -0.001 0.000 0.324 179 A C -0.173 177.423 177.584 0.019 0.000 1.117 179 A CA -0.810 51.262 52.037 0.058 0.000 0.785 179 A CB 1.004 20.038 19.000 0.058 0.000 1.254 179 A HN -0.007 nan 8.150 nan 0.000 0.453 180 E N 0.503 120.719 120.200 0.027 0.000 2.342 180 E HA 0.390 4.739 4.350 -0.001 0.000 0.257 180 E C 1.472 178.077 176.600 0.009 0.000 1.150 180 E CA 0.335 56.744 56.400 0.015 0.000 0.926 180 E CB 0.789 30.503 29.700 0.024 0.000 1.074 180 E HN 0.692 nan 8.360 nan 0.000 0.449 181 A N 1.084 123.906 122.820 0.003 0.000 1.958 181 A HA -0.209 4.110 4.320 -0.001 0.000 0.221 181 A C 0.816 178.407 177.584 0.012 0.000 1.178 181 A CA 2.067 54.105 52.037 0.002 0.000 0.642 181 A CB -0.253 18.747 19.000 0.001 0.000 0.816 181 A HN 0.496 nan 8.150 nan 0.000 0.453 182 D N -1.551 118.862 120.400 0.021 0.000 2.461 182 D HA 0.353 4.992 4.640 -0.001 0.000 0.240 182 D C -2.025 174.300 176.300 0.041 0.000 1.094 182 D CA -2.106 51.913 54.000 0.032 0.000 0.868 182 D CB 1.361 42.180 40.800 0.031 0.000 1.062 182 D HN 0.078 nan 8.370 nan 0.000 0.530 183 P HA 0.033 nan 4.420 nan 0.000 0.255 183 P C 0.906 178.251 177.300 0.076 0.000 1.301 183 P CA -0.004 63.134 63.100 0.064 0.000 0.817 183 P CB 0.392 32.135 31.700 0.071 0.000 1.259 184 T N 1.259 115.854 114.554 0.069 0.000 2.592 184 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 184 T C 1.836 176.573 174.700 0.061 0.000 1.060 184 T CA 1.404 63.543 62.100 0.066 0.000 1.167 184 T CB -0.837 68.065 68.868 0.056 0.000 0.863 184 T HN 0.120 nan 8.240 nan 0.000 0.431 185 L N 0.564 121.822 121.223 0.057 0.000 2.051 185 L HA -0.212 4.127 4.340 -0.001 0.000 0.214 185 L C 2.549 179.446 176.870 0.045 0.000 1.076 185 L CA 1.555 56.425 54.840 0.050 0.000 0.758 185 L CB -0.571 41.526 42.059 0.064 0.000 0.890 185 L HN 0.268 nan 8.230 nan 0.000 0.433 186 D N -0.644 119.793 120.400 0.062 0.000 2.085 186 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 186 D C 2.116 178.461 176.300 0.076 0.000 0.981 186 D CA 1.776 55.817 54.000 0.068 0.000 0.834 186 D CB -0.323 40.525 40.800 0.080 0.000 0.992 186 D HN 0.299 nan 8.370 nan 0.000 0.457 187 V N -0.864 119.108 119.914 0.097 0.000 3.078 187 V HA -0.034 4.085 4.120 -0.001 0.000 0.265 187 V C 1.320 177.455 176.094 0.067 0.000 1.122 187 V CA 1.289 63.656 62.300 0.113 0.000 1.141 187 V CB -0.647 31.291 31.823 0.190 0.000 0.735 187 V HN 0.057 nan 8.190 nan 0.000 0.498 188 E N 0.757 120.988 120.200 0.052 0.000 2.474 188 E HA 0.332 4.682 4.350 -0.001 0.000 0.195 188 E C 1.635 178.251 176.600 0.027 0.000 1.039 188 E CA 0.393 56.812 56.400 0.032 0.000 0.881 188 E CB 0.270 29.988 29.700 0.031 0.000 0.970 188 E HN 0.809 nan 8.360 nan 0.000 0.486 189 G N 1.456 110.275 108.800 0.033 0.000 2.148 189 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.254 189 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.254 189 G C 0.845 175.755 174.900 0.017 0.000 0.981 189 G CA 0.458 45.577 45.100 0.032 0.000 0.670 189 G HN 0.332 nan 8.290 nan 0.000 0.528 190 I N 0.035 120.600 120.570 -0.009 0.000 2.286 190 I HA -0.046 4.123 4.170 -0.001 0.000 0.245 190 I C 2.371 178.346 176.117 -0.237 0.000 1.104 190 I CA 1.741 62.989 61.300 -0.087 0.000 1.397 190 I CB -0.254 37.695 38.000 -0.085 0.000 1.072 190 I HN 0.274 nan 8.210 nan 0.000 0.417 191 D N 1.269 121.609 120.400 -0.100 0.000 2.117 191 D HA -0.188 4.451 4.640 -0.001 0.000 0.197 191 D C 2.194 178.517 176.300 0.038 0.000 0.987 191 D CA 1.536 55.534 54.000 -0.003 0.000 0.829 191 D CB 0.116 40.951 40.800 0.059 0.000 0.961 191 D HN 0.285 nan 8.370 nan 0.000 0.460 192 A N 0.448 123.291 122.820 0.039 0.000 1.902 192 A HA 0.034 4.353 4.320 -0.001 0.000 0.217 192 A C 2.396 180.036 177.584 0.094 0.000 1.181 192 A CA 2.094 54.170 52.037 0.065 0.000 0.623 192 A CB -1.126 17.912 19.000 0.063 0.000 0.818 192 A HN 0.343 nan 8.150 nan 0.000 0.443 193 A N -0.785 122.095 122.820 0.100 0.000 1.933 193 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 193 A C 1.903 179.687 177.584 0.333 0.000 1.175 193 A CA 1.777 53.936 52.037 0.204 0.000 0.628 193 A CB -0.981 18.159 19.000 0.232 0.000 0.814 193 A HN 0.766 nan 8.150 nan 0.000 0.444 194 H N -0.383 118.810 119.070 0.204 0.000 2.293 194 H HA -0.109 4.446 4.556 -0.001 0.000 0.300 194 H C 2.182 177.516 175.328 0.011 0.000 1.082 194 H CA 1.663 57.710 56.048 -0.001 0.000 1.308 194 H CB -0.011 29.676 29.762 -0.126 0.000 1.375 194 H HN 0.444 nan 8.280 nan 0.000 0.495 195 K N 0.299 120.793 120.400 0.157 0.000 2.057 195 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 195 K C 2.136 178.761 176.600 0.043 0.000 1.049 195 K CA 1.056 57.386 56.287 0.071 0.000 0.931 195 K CB -0.166 32.368 32.500 0.056 0.000 0.714 195 K HN 0.083 nan 8.250 nan 0.000 0.440 196 L N 1.492 122.756 121.223 0.068 0.000 2.046 196 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 196 L C 1.976 178.833 176.870 -0.023 0.000 1.077 196 L CA 1.943 56.796 54.840 0.022 0.000 0.747 196 L CB -0.812 41.280 42.059 0.055 0.000 0.896 196 L HN 0.114 nan 8.230 nan 0.000 0.432 197 T N -0.178 114.427 114.554 0.084 0.000 2.720 197 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 197 T C 1.836 176.493 174.700 -0.072 0.000 1.037 197 T CA 1.733 63.897 62.100 0.108 0.000 1.144 197 T CB -0.306 68.724 68.868 0.271 0.000 0.864 197 T HN 0.163 nan 8.240 nan 0.000 0.444 198 L N 0.658 121.826 121.223 -0.093 0.000 2.046 198 L HA 0.044 4.383 4.340 -0.001 0.000 0.208 198 L C 2.369 179.161 176.870 -0.131 0.000 1.077 198 L CA 1.393 56.145 54.840 -0.147 0.000 0.747 198 L CB -1.019 41.009 42.059 -0.053 0.000 0.896 198 L HN 0.286 nan 8.230 nan 0.000 0.432 199 L N -1.213 119.941 121.223 -0.115 0.000 2.083 199 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 199 L C 2.650 179.390 176.870 -0.216 0.000 1.083 199 L CA 1.192 55.953 54.840 -0.132 0.000 0.752 199 L CB -0.919 41.080 42.059 -0.101 0.000 0.899 199 L HN 0.281 nan 8.230 nan 0.000 0.433 200 A N 0.373 123.007 122.820 -0.309 0.000 1.902 200 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 200 A C 2.398 179.783 177.584 -0.332 0.000 1.181 200 A CA 1.456 53.201 52.037 -0.487 0.000 0.623 200 A CB -0.438 18.044 19.000 -0.864 0.000 0.818 200 A HN 0.321 nan 8.150 nan 0.000 0.443 201 R N -0.896 119.475 120.500 -0.215 0.000 2.096 201 R HA -0.015 4.324 4.340 -0.001 0.000 0.235 201 R C 2.200 178.463 176.300 -0.063 0.000 1.127 201 R CA 1.354 57.384 56.100 -0.116 0.000 0.968 201 R CB -0.486 29.663 30.300 -0.251 0.000 0.861 201 R HN 0.588 nan 8.270 nan 0.000 0.440 202 L N 0.366 121.538 121.223 -0.084 0.000 2.056 202 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 202 L C 1.930 178.762 176.870 -0.064 0.000 1.078 202 L CA 1.134 55.954 54.840 -0.034 0.000 0.749 202 L CB 0.005 42.039 42.059 -0.041 0.000 0.901 202 L HN 0.166 nan 8.230 nan 0.000 0.433 203 L N -1.444 119.697 121.223 -0.136 0.000 2.200 203 L HA 0.022 4.362 4.340 -0.001 0.000 0.200 203 L C 1.916 178.669 176.870 -0.195 0.000 1.072 203 L CA 1.623 56.365 54.840 -0.162 0.000 0.787 203 L CB 0.329 42.266 42.059 -0.204 0.000 0.957 203 L HN 0.259 nan 8.230 nan 0.000 0.459 204 V N -4.963 114.766 119.914 -0.309 0.000 3.572 204 V HA 0.402 4.521 4.120 -0.001 0.000 0.260 204 V C -0.252 175.749 176.094 -0.155 0.000 1.324 204 V CA 0.228 62.335 62.300 -0.320 0.000 1.068 204 V CB 0.599 31.922 31.823 -0.833 0.000 0.837 204 V HN 0.327 nan 8.190 nan 0.000 0.450 205 D N 1.377 121.709 120.400 -0.113 0.000 2.365 205 D HA 0.355 4.994 4.640 -0.001 0.000 0.235 205 D C -2.107 174.263 176.300 0.117 0.000 1.368 205 D CA -1.468 52.568 54.000 0.060 0.000 1.001 205 D CB 2.283 43.186 40.800 0.170 0.000 1.364 205 D HN 0.091 nan 8.370 nan 0.000 0.577 206 P HA -0.022 nan 4.420 nan 0.000 0.223 206 P C 0.969 178.506 177.300 0.395 0.000 1.144 206 P CA 0.751 63.999 63.100 0.248 0.000 0.783 206 P CB 0.384 32.209 31.700 0.208 0.000 0.771 207 G N -1.632 107.343 108.800 0.292 0.000 3.277 207 G HA2 0.038 3.997 3.960 -0.001 0.000 0.243 207 G HA3 0.038 3.997 3.960 -0.001 0.000 0.243 207 G C -0.101 174.938 174.900 0.232 0.000 1.107 207 G CA -0.414 44.872 45.100 0.310 0.000 0.771 207 G HN 0.104 nan 8.290 nan 0.000 0.544 208 F N 2.666 122.652 119.950 0.060 0.000 2.549 208 F HA 0.181 4.708 4.527 -0.001 0.000 0.400 208 F C -1.836 173.978 175.800 0.024 0.000 1.011 208 F CA -1.809 56.198 58.000 0.011 0.000 1.148 208 F CB 0.651 39.615 39.000 -0.060 0.000 0.993 208 F HN -0.028 nan 8.300 nan 0.000 0.540 209 P HA 0.002 nan 4.420 nan 0.000 0.276 209 P C 0.370 177.584 177.300 -0.142 0.000 1.243 209 P CA -0.079 62.902 63.100 -0.198 0.000 0.768 209 P CB 0.380 31.939 31.700 -0.234 0.000 0.856 210 F N 4.942 124.870 119.950 -0.037 0.000 2.161 210 F HA -0.217 4.309 4.527 -0.001 0.000 0.300 210 F C 1.951 177.759 175.800 0.013 0.000 1.089 210 F CA 1.923 59.949 58.000 0.045 0.000 1.282 210 F CB -0.825 38.227 39.000 0.088 0.000 1.010 210 F HN 0.346 nan 8.300 nan 0.000 0.485 211 A N -0.214 122.463 122.820 -0.238 0.000 2.131 211 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 211 A C 1.997 179.397 177.584 -0.306 0.000 1.158 211 A CA 1.704 53.544 52.037 -0.329 0.000 0.665 211 A CB -0.832 18.095 19.000 -0.122 0.000 0.795 211 A HN 0.624 nan 8.150 nan 0.000 0.460 212 E N -0.619 119.399 120.200 -0.303 0.000 2.479 212 E HA 0.128 4.477 4.350 -0.001 0.000 0.193 212 E C -0.603 175.928 176.600 -0.115 0.000 1.049 212 E CA -0.312 55.940 56.400 -0.246 0.000 0.870 212 E CB 0.387 29.853 29.700 -0.390 0.000 0.944 212 E HN 0.339 nan 8.360 nan 0.000 0.492 213 V N 2.512 122.355 119.914 -0.120 0.000 2.455 213 V HA 0.045 4.164 4.120 -0.001 0.000 0.273 213 V C 0.176 176.223 176.094 -0.079 0.000 1.045 213 V CA 0.046 62.346 62.300 0.000 0.000 0.976 213 V CB 0.946 32.791 31.823 0.036 0.000 0.993 213 V HN 0.099 nan 8.190 nan 0.000 0.475 214 E N 3.749 123.949 120.200 -0.000 0.000 2.130 214 E HA 0.591 4.940 4.350 -0.001 0.000 0.284 214 E C -0.158 176.455 176.600 0.021 0.000 1.018 214 E CA -0.226 56.172 56.400 -0.003 0.000 0.817 214 E CB 1.408 31.125 29.700 0.029 0.000 1.078 214 E HN 0.811 nan 8.360 nan 0.000 0.396 215 A N 3.701 126.519 122.820 -0.004 0.000 2.342 215 A HA 0.489 4.808 4.320 -0.001 0.000 0.323 215 A C -0.758 176.836 177.584 0.017 0.000 1.125 215 A CA -0.659 51.388 52.037 0.017 0.000 0.785 215 A CB 1.552 20.558 19.000 0.010 0.000 1.221 215 A HN 0.499 nan 8.150 nan 0.000 0.463 216 Q N 1.275 121.091 119.800 0.027 0.000 2.347 216 Q HA 0.641 4.980 4.340 -0.001 0.000 0.271 216 Q C 0.057 176.067 176.000 0.016 0.000 1.064 216 Q CA 0.128 55.941 55.803 0.018 0.000 0.800 216 Q CB 1.840 30.591 28.738 0.021 0.000 1.304 216 Q HN 0.956 nan 8.270 nan 0.000 0.438 217 G N 2.272 111.074 108.800 0.003 0.000 2.849 217 G HA2 0.319 4.278 3.960 -0.001 0.000 0.174 217 G HA3 0.319 4.278 3.960 -0.001 0.000 0.174 217 G C 0.352 175.237 174.900 -0.025 0.000 1.370 217 G CA -0.566 44.534 45.100 0.000 0.000 1.040 217 G HN 0.707 nan 8.290 nan 0.000 0.582 218 I N 1.356 121.898 120.570 -0.048 0.000 3.578 218 I HA 0.060 4.230 4.170 -0.001 0.000 0.295 218 I C 2.837 178.823 176.117 -0.218 0.000 1.280 218 I CA 0.649 61.884 61.300 -0.109 0.000 1.347 218 I CB -0.052 37.890 38.000 -0.096 0.000 1.051 218 I HN 0.402 nan 8.210 nan 0.000 0.460 219 A N 1.712 124.419 122.820 -0.187 0.000 2.009 219 A HA -0.226 4.093 4.320 -0.001 0.000 0.222 219 A C 2.248 179.734 177.584 -0.164 0.000 1.175 219 A CA 1.732 53.651 52.037 -0.197 0.000 0.651 219 A CB -0.514 18.423 19.000 -0.105 0.000 0.815 219 A HN 0.436 nan 8.150 nan 0.000 0.459 220 R N -1.140 119.290 120.500 -0.117 0.000 2.388 220 R HA 0.333 4.672 4.340 -0.001 0.000 0.247 220 R C -0.619 175.632 176.300 -0.082 0.000 0.931 220 R CA -0.162 55.888 56.100 -0.083 0.000 1.082 220 R CB -0.025 30.245 30.300 -0.051 0.000 1.135 220 R HN 0.418 nan 8.270 nan 0.000 0.525 221 L N 1.007 122.161 121.223 -0.115 0.000 2.309 221 L HA 0.391 4.730 4.340 -0.001 0.000 0.282 221 L C 0.509 177.339 176.870 -0.067 0.000 1.036 221 L CA -0.500 54.291 54.840 -0.081 0.000 0.806 221 L CB 1.739 43.756 42.059 -0.069 0.000 1.220 221 L HN 0.023 nan 8.230 nan 0.000 0.429 222 T N -1.413 113.125 114.554 -0.027 0.000 2.865 222 T HA 0.454 4.803 4.350 -0.001 0.000 0.294 222 T C -2.453 172.251 174.700 0.006 0.000 1.119 222 T CA -1.762 60.338 62.100 0.000 0.000 1.007 222 T CB 2.188 71.054 68.868 -0.004 0.000 1.225 222 T HN 0.182 nan 8.240 nan 0.000 0.515 223 P HA 0.028 nan 4.420 nan 0.000 0.218 223 P C 1.063 178.359 177.300 -0.006 0.000 1.149 223 P CA 0.916 64.019 63.100 0.005 0.000 0.817 223 P CB 0.101 31.806 31.700 0.009 0.000 0.785 224 E N -0.511 119.686 120.200 -0.005 0.000 2.051 224 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 224 E C 2.054 178.646 176.600 -0.014 0.000 0.991 224 E CA 0.906 57.300 56.400 -0.009 0.000 0.799 224 E CB -1.539 28.157 29.700 -0.007 0.000 0.748 224 E HN -0.017 nan 8.360 nan 0.000 0.449 225 V N 0.916 120.821 119.914 -0.016 0.000 2.453 225 V HA -0.254 3.865 4.120 -0.001 0.000 0.252 225 V C 2.137 178.215 176.094 -0.026 0.000 1.068 225 V CA 1.537 63.825 62.300 -0.021 0.000 1.070 225 V CB -0.486 31.323 31.823 -0.024 0.000 0.664 225 V HN 0.259 nan 8.190 nan 0.000 0.461 226 L N -0.619 120.589 121.223 -0.025 0.000 2.240 226 L HA -0.102 4.237 4.340 -0.001 0.000 0.211 226 L C 2.597 179.448 176.870 -0.032 0.000 1.106 226 L CA 0.957 55.778 54.840 -0.032 0.000 0.793 226 L CB -0.532 41.508 42.059 -0.031 0.000 0.927 226 L HN 0.319 nan 8.230 nan 0.000 0.446 227 Q N 0.937 120.722 119.800 -0.025 0.000 2.083 227 Q HA -0.178 4.161 4.340 -0.001 0.000 0.198 227 Q C 2.071 178.056 176.000 -0.024 0.000 0.969 227 Q CA 1.502 57.291 55.803 -0.023 0.000 0.838 227 Q CB 0.177 28.905 28.738 -0.017 0.000 0.900 227 Q HN 0.213 nan 8.270 nan 0.000 0.436 228 K N 0.605 120.992 120.400 -0.022 0.000 2.103 228 K HA -0.086 4.233 4.320 -0.001 0.000 0.207 228 K C 1.930 178.514 176.600 -0.026 0.000 1.048 228 K CA 1.492 57.766 56.287 -0.021 0.000 0.930 228 K CB -0.648 31.840 32.500 -0.019 0.000 0.716 228 K HN 0.278 nan 8.250 nan 0.000 0.444 229 A N 0.604 123.404 122.820 -0.033 0.000 1.873 229 A HA -0.205 4.115 4.320 -0.001 0.000 0.215 229 A C 2.185 179.743 177.584 -0.043 0.000 1.186 229 A CA 1.743 53.755 52.037 -0.042 0.000 0.616 229 A CB -0.531 18.437 19.000 -0.053 0.000 0.823 229 A HN 0.431 nan 8.150 nan 0.000 0.442 230 E N -0.112 120.064 120.200 -0.041 0.000 2.085 230 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 230 E C 2.108 178.689 176.600 -0.032 0.000 0.994 230 E CA 1.077 57.453 56.400 -0.039 0.000 0.801 230 E CB -0.253 29.425 29.700 -0.035 0.000 0.743 230 E HN 0.537 nan 8.360 nan 0.000 0.453 231 A N 1.003 123.807 122.820 -0.027 0.000 1.972 231 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 231 A C 1.958 179.529 177.584 -0.022 0.000 1.169 231 A CA 1.329 53.352 52.037 -0.022 0.000 0.635 231 A CB -0.328 18.661 19.000 -0.018 0.000 0.810 231 A HN 0.163 nan 8.150 nan 0.000 0.446 232 R N -1.204 119.281 120.500 -0.025 0.000 2.391 232 R HA 0.281 4.620 4.340 -0.001 0.000 0.249 232 R C 1.001 177.285 176.300 -0.027 0.000 0.957 232 R CA 0.439 56.525 56.100 -0.023 0.000 1.093 232 R CB -0.108 30.180 30.300 -0.021 0.000 1.156 232 R HN 0.619 nan 8.270 nan 0.000 0.526 233 G N 1.453 110.234 108.800 -0.032 0.000 2.176 233 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.252 233 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.252 233 G C -0.294 174.575 174.900 -0.052 0.000 1.024 233 G CA 0.296 45.374 45.100 -0.038 0.000 0.755 233 G HN 0.438 nan 8.290 nan 0.000 0.507 234 E N -0.942 119.221 120.200 -0.061 0.000 2.339 234 E HA 0.818 5.167 4.350 -0.001 0.000 0.262 234 E C 0.009 176.549 176.600 -0.101 0.000 0.934 234 E CA -1.211 55.135 56.400 -0.090 0.000 0.802 234 E CB 1.365 31.013 29.700 -0.087 0.000 1.275 234 E HN 0.081 nan 8.360 nan 0.000 0.427 235 R N 0.376 120.792 120.500 -0.140 0.000 2.744 235 R HA 0.520 4.859 4.340 -0.001 0.000 0.279 235 R C -1.257 174.946 176.300 -0.162 0.000 0.977 235 R CA -0.950 55.069 56.100 -0.136 0.000 0.906 235 R CB 1.958 32.172 30.300 -0.143 0.000 1.197 235 R HN 0.299 nan 8.270 nan 0.000 0.463 236 V N 3.878 123.716 119.914 -0.126 0.000 2.435 236 V HA 0.570 4.689 4.120 -0.001 0.000 0.290 236 V C 0.048 176.071 176.094 -0.118 0.000 1.030 236 V CA -0.658 61.569 62.300 -0.122 0.000 0.881 236 V CB 1.552 33.327 31.823 -0.080 0.000 0.983 236 V HN 0.469 nan 8.190 nan 0.000 0.445 237 R N 3.046 123.465 120.500 -0.136 0.000 2.698 237 R HA 0.483 4.823 4.340 -0.001 0.000 0.275 237 R C -1.381 174.874 176.300 -0.075 0.000 1.001 237 R CA -1.036 54.999 56.100 -0.109 0.000 0.896 237 R CB 2.325 32.535 30.300 -0.150 0.000 1.218 237 R HN 0.564 nan 8.270 nan 0.000 0.462 238 L N 2.445 123.650 121.223 -0.031 0.000 2.315 238 L HA 0.283 4.623 4.340 -0.001 0.000 0.283 238 L C -0.863 176.017 176.870 0.016 0.000 1.089 238 L CA 0.004 54.845 54.840 0.002 0.000 0.833 238 L CB 0.803 42.875 42.059 0.022 0.000 1.170 238 L HN 0.285 nan 8.230 nan 0.000 0.442 239 V N 4.990 124.929 119.914 0.041 0.000 2.555 239 V HA 0.748 4.867 4.120 -0.001 0.000 0.302 239 V C 0.251 176.444 176.094 0.166 0.000 1.038 239 V CA -0.629 61.729 62.300 0.096 0.000 0.887 239 V CB 1.430 33.310 31.823 0.095 0.000 0.991 239 V HN 0.914 nan 8.190 nan 0.000 0.434 240 A N 3.404 126.333 122.820 0.181 0.000 2.252 240 A HA 0.762 5.081 4.320 -0.001 0.000 0.309 240 A C 0.105 177.842 177.584 0.254 0.000 1.285 240 A CA -0.264 51.882 52.037 0.182 0.000 0.900 240 A CB 0.489 19.564 19.000 0.124 0.000 1.157 240 A HN 0.748 nan 8.150 nan 0.000 0.536 241 S N 1.217 117.099 115.700 0.304 0.000 2.503 241 S HA 0.674 5.144 4.470 -0.001 0.000 0.301 241 S C -0.996 173.760 174.600 0.260 0.000 1.087 241 S CA -0.448 57.965 58.200 0.355 0.000 1.042 241 S CB 1.440 65.029 63.200 0.647 0.000 1.043 241 S HN 0.757 nan 8.310 nan 0.000 0.489 242 L N 4.614 125.916 121.223 0.131 0.000 2.406 242 L HA 0.772 5.111 4.340 -0.001 0.000 0.270 242 L C -1.459 175.565 176.870 0.257 0.000 0.982 242 L CA -0.373 54.487 54.840 0.034 0.000 0.843 242 L CB 0.244 42.196 42.059 -0.178 0.000 1.225 242 L HN 0.704 nan 8.230 nan 0.000 0.412 243 F N 1.723 121.815 119.950 0.235 0.000 2.711 243 F HA 0.919 5.445 4.527 -0.001 0.000 0.313 243 F C 0.198 176.093 175.800 0.160 0.000 1.141 243 F CA -1.013 57.135 58.000 0.247 0.000 0.941 243 F CB 0.979 40.048 39.000 0.116 0.000 1.349 243 F HN 0.558 nan 8.300 nan 0.000 0.464 244 G N 0.382 109.207 108.800 0.041 0.000 2.372 244 G HA2 0.488 4.447 3.960 -0.001 0.000 0.283 244 G HA3 0.488 4.447 3.960 -0.001 0.000 0.283 244 G C -1.552 173.330 174.900 -0.030 0.000 1.177 244 G CA -0.364 44.571 45.100 -0.275 0.000 0.842 244 G HN 0.904 nan 8.290 nan 0.000 0.503 245 E N 1.301 121.429 120.200 -0.120 0.000 2.361 245 E HA 0.452 4.802 4.350 -0.001 0.000 0.270 245 E C 0.502 177.067 176.600 -0.058 0.000 0.911 245 E CA -0.177 56.218 56.400 -0.008 0.000 0.818 245 E CB 0.517 30.247 29.700 0.050 0.000 1.332 245 E HN 1.153 nan 8.360 nan 0.000 0.402 246 G N 2.806 111.578 108.800 -0.046 0.000 2.143 246 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.248 246 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.248 246 G C 0.881 175.730 174.900 -0.084 0.000 0.991 246 G CA 0.368 45.438 45.100 -0.051 0.000 0.689 246 G HN 1.593 nan 8.290 nan 0.000 0.522 247 G N -1.292 107.428 108.800 -0.134 0.000 2.159 247 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.256 247 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.256 247 G C 0.291 175.055 174.900 -0.227 0.000 0.977 247 G CA 1.330 46.328 45.100 -0.171 0.000 0.652 247 G HN 1.965 nan 8.290 nan 0.000 0.531 248 R N -1.698 118.659 120.500 -0.239 0.000 2.867 248 R HA 0.675 5.014 4.340 -0.001 0.000 0.268 248 R C -0.700 175.423 176.300 -0.294 0.000 1.014 248 R CA -1.444 54.523 56.100 -0.221 0.000 0.946 248 R CB 1.022 31.283 30.300 -0.065 0.000 1.208 248 R HN 0.104 nan 8.270 nan 0.000 0.477 249 W N 1.450 122.743 121.300 -0.012 0.000 2.287 249 W HA 0.356 5.015 4.660 -0.001 0.000 0.313 249 W C 0.591 177.055 176.519 -0.092 0.000 1.267 249 W CA -0.329 56.973 57.345 -0.072 0.000 1.201 249 W CB 0.961 30.400 29.460 -0.035 0.000 1.196 249 W HN 0.376 nan 8.180 nan 0.000 0.536 250 R N 2.575 123.014 120.500 -0.102 0.000 2.494 250 R HA 0.788 5.127 4.340 -0.001 0.000 0.305 250 R C -1.119 175.003 176.300 -0.297 0.000 0.959 250 R CA -0.671 55.270 56.100 -0.264 0.000 0.864 250 R CB 1.187 31.116 30.300 -0.619 0.000 1.159 250 R HN 0.551 nan 8.270 nan 0.000 0.446 251 A N 2.855 125.676 122.820 0.002 0.000 2.330 251 A HA 0.837 5.157 4.320 -0.001 0.000 0.313 251 A C -1.339 176.314 177.584 0.115 0.000 1.124 251 A CA -0.408 51.654 52.037 0.041 0.000 0.774 251 A CB 1.702 20.767 19.000 0.109 0.000 1.198 251 A HN 0.890 nan 8.150 nan 0.000 0.465 252 A N 1.480 124.403 122.820 0.172 0.000 2.594 252 A HA 0.731 5.051 4.320 -0.001 0.000 0.295 252 A C -1.446 176.251 177.584 0.189 0.000 1.071 252 A CA -0.442 51.706 52.037 0.185 0.000 0.685 252 A CB 1.437 20.585 19.000 0.246 0.000 1.285 252 A HN 1.333 nan 8.150 nan 0.000 0.405 253 V N 0.634 120.630 119.914 0.137 0.000 2.487 253 V HA 0.892 5.011 4.120 -0.001 0.000 0.298 253 V C 0.186 176.339 176.094 0.098 0.000 1.028 253 V CA 0.434 62.806 62.300 0.120 0.000 0.860 253 V CB 1.165 33.041 31.823 0.089 0.000 0.991 253 V HN 2.009 nan 8.190 nan 0.000 0.427 254 A N 6.165 129.042 122.820 0.095 0.000 2.583 254 A HA 0.819 5.139 4.320 -0.001 0.000 0.292 254 A C -3.362 174.250 177.584 0.047 0.000 1.045 254 A CA -1.177 50.899 52.037 0.066 0.000 0.672 254 A CB 1.730 20.776 19.000 0.076 0.000 1.283 254 A HN 0.551 nan 8.150 nan 0.000 0.419 255 P HA 0.413 nan 4.420 nan 0.000 0.271 255 P C -0.794 176.500 177.300 -0.008 0.000 1.216 255 P CA 0.089 63.185 63.100 -0.007 0.000 0.771 255 P CB 0.446 32.136 31.700 -0.018 0.000 0.864 256 R N 2.846 123.317 120.500 -0.047 0.000 2.744 256 R HA 0.437 4.777 4.340 -0.001 0.000 0.279 256 R C -0.140 176.075 176.300 -0.141 0.000 0.977 256 R CA -0.980 55.086 56.100 -0.058 0.000 0.906 256 R CB 1.840 32.108 30.300 -0.052 0.000 1.197 256 R HN 0.425 nan 8.270 nan 0.000 0.463 257 R N 2.001 122.438 120.500 -0.105 0.000 2.205 257 R HA 0.406 4.745 4.340 -0.001 0.000 0.342 257 R C -0.268 175.862 176.300 -0.284 0.000 1.058 257 R CA -0.212 55.803 56.100 -0.143 0.000 0.904 257 R CB 0.494 30.760 30.300 -0.057 0.000 1.089 257 R HN 0.310 nan 8.270 nan 0.000 0.471 258 L N 4.885 125.837 121.223 -0.452 0.000 2.325 258 L HA 0.516 4.855 4.340 -0.001 0.000 0.278 258 L C -2.176 174.463 176.870 -0.385 0.000 1.023 258 L CA -2.723 51.670 54.840 -0.744 0.000 0.811 258 L CB 1.656 43.141 42.059 -0.956 0.000 1.249 258 L HN 0.266 nan 8.230 nan 0.000 0.431 259 P HA -0.002 nan 4.420 nan 0.000 0.267 259 P C 0.072 177.293 177.300 -0.131 0.000 1.205 259 P CA -0.272 62.762 63.100 -0.110 0.000 0.765 259 P CB 0.524 32.220 31.700 -0.006 0.000 0.828 260 Q N 1.997 121.734 119.800 -0.105 0.000 2.308 260 Q HA -0.245 4.094 4.340 -0.001 0.000 0.209 260 Q C 0.417 176.365 176.000 -0.087 0.000 0.985 260 Q CA 1.581 57.324 55.803 -0.101 0.000 0.881 260 Q CB -0.490 28.201 28.738 -0.077 0.000 0.917 260 Q HN 0.398 nan 8.270 nan 0.000 0.443 261 D N 0.150 120.508 120.400 -0.071 0.000 2.277 261 D HA -0.064 4.575 4.640 -0.001 0.000 0.208 261 D C 0.351 176.586 176.300 -0.108 0.000 0.962 261 D CA 0.397 54.351 54.000 -0.076 0.000 0.865 261 D CB -0.216 40.547 40.800 -0.061 0.000 0.939 261 D HN 0.333 nan 8.370 nan 0.000 0.510 262 H N 1.258 120.195 119.070 -0.222 0.000 3.001 262 H HA -0.032 4.524 4.556 -0.001 0.000 0.334 262 H C -1.496 173.605 175.328 -0.379 0.000 1.034 262 H CA -0.810 55.045 56.048 -0.322 0.000 1.420 262 H CB 1.545 31.052 29.762 -0.425 0.000 1.405 262 H HN -0.157 nan 8.280 nan 0.000 0.593 263 P HA -0.186 nan 4.420 nan 0.000 0.216 263 P C 1.802 178.910 177.300 -0.320 0.000 1.154 263 P CA 1.317 64.029 63.100 -0.646 0.000 0.865 263 P CB 0.183 31.076 31.700 -1.346 0.000 0.789 264 L N -1.541 119.652 121.223 -0.049 0.000 2.083 264 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 264 L C 2.396 179.203 176.870 -0.105 0.000 1.083 264 L CA 1.519 56.356 54.840 -0.004 0.000 0.752 264 L CB -1.010 40.901 42.059 -0.247 0.000 0.899 264 L HN -0.034 nan 8.230 nan 0.000 0.433 265 A N -0.220 122.490 122.820 -0.183 0.000 2.016 265 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 265 A C 2.333 179.858 177.584 -0.098 0.000 1.162 265 A CA 0.924 52.856 52.037 -0.175 0.000 0.662 265 A CB -0.271 18.604 19.000 -0.209 0.000 0.812 265 A HN 0.309 nan 8.150 nan 0.000 0.450 266 R N -0.309 120.146 120.500 -0.076 0.000 2.210 266 R HA 0.233 4.572 4.340 -0.001 0.000 0.203 266 R C 0.921 177.227 176.300 0.011 0.000 1.010 266 R CA 0.397 56.471 56.100 -0.043 0.000 1.008 266 R CB -0.235 30.028 30.300 -0.062 0.000 0.923 266 R HN 0.413 nan 8.270 nan 0.000 0.469 267 A N 1.287 124.146 122.820 0.066 0.000 2.548 267 A HA -0.016 4.303 4.320 -0.001 0.000 0.247 267 A C 0.675 178.292 177.584 0.054 0.000 1.067 267 A CA 0.144 52.258 52.037 0.128 0.000 0.757 267 A CB 0.336 19.479 19.000 0.238 0.000 0.996 267 A HN 0.171 nan 8.150 nan 0.000 0.504 268 R N 2.141 122.668 120.500 0.045 0.000 2.100 268 R HA 0.136 4.475 4.340 -0.001 0.000 0.220 268 R C 1.416 177.723 176.300 0.011 0.000 1.091 268 R CA 1.281 57.393 56.100 0.020 0.000 0.986 268 R CB -0.135 30.177 30.300 0.020 0.000 0.888 268 R HN 0.803 nan 8.270 nan 0.000 0.444 269 G N -0.906 107.901 108.800 0.011 0.000 2.642 269 G HA2 0.250 4.209 3.960 -0.001 0.000 0.291 269 G HA3 0.250 4.209 3.960 -0.001 0.000 0.291 269 G C -0.738 174.153 174.900 -0.015 0.000 1.345 269 G CA -0.739 44.354 45.100 -0.012 0.000 1.043 269 G HN 0.164 nan 8.290 nan 0.000 0.528 270 N N -0.761 117.918 118.700 -0.036 0.000 2.371 270 N HA 0.506 5.245 4.740 -0.001 0.000 0.243 270 N C -0.004 175.459 175.510 -0.078 0.000 1.287 270 N CA 0.795 53.822 53.050 -0.039 0.000 0.911 270 N CB 1.173 39.635 38.487 -0.042 0.000 1.142 270 N HN 0.765 nan 8.380 nan 0.000 0.451 271 A N 0.373 123.149 122.820 -0.072 0.000 2.606 271 A HA 0.685 5.005 4.320 -0.001 0.000 0.293 271 A C -1.993 175.522 177.584 -0.116 0.000 1.082 271 A CA -0.496 51.434 52.037 -0.179 0.000 0.685 271 A CB 1.155 20.126 19.000 -0.049 0.000 1.284 271 A HN 0.474 nan 8.150 nan 0.000 0.408 272 L N 0.640 121.692 121.223 -0.284 0.000 2.406 272 L HA 0.804 5.144 4.340 -0.001 0.000 0.272 272 L C -1.664 175.255 176.870 0.081 0.000 0.980 272 L CA -0.232 54.552 54.840 -0.094 0.000 0.831 272 L CB 1.413 43.322 42.059 -0.249 0.000 1.253 272 L HN 0.799 nan 8.230 nan 0.000 0.406 273 W N 6.258 127.711 121.300 0.254 0.000 2.632 273 W HA 0.792 5.451 4.660 -0.001 0.000 0.328 273 W C -1.553 175.208 176.519 0.403 0.000 1.044 273 W CA -0.508 57.129 57.345 0.487 0.000 1.225 273 W CB 1.722 31.565 29.460 0.639 0.000 1.396 273 W HN 0.387 nan 8.180 nan 0.000 0.499 274 V N 6.125 125.929 119.914 -0.183 0.000 2.971 274 V HA 0.569 4.688 4.120 -0.001 0.000 0.309 274 V C -0.703 175.071 176.094 -0.533 0.000 1.130 274 V CA -1.276 60.883 62.300 -0.236 0.000 0.964 274 V CB 2.344 34.199 31.823 0.055 0.000 1.029 274 V HN 0.502 nan 8.190 nan 0.000 0.427 275 R N 1.787 122.047 120.500 -0.399 0.000 2.513 275 R HA 0.878 5.218 4.340 -0.001 0.000 0.301 275 R C -0.791 175.438 176.300 -0.117 0.000 0.968 275 R CA -0.398 55.526 56.100 -0.293 0.000 0.872 275 R CB 2.185 32.326 30.300 -0.266 0.000 1.177 275 R HN 0.926 nan 8.270 nan 0.000 0.444 276 A N 2.556 125.324 122.820 -0.086 0.000 2.587 276 A HA 0.612 4.931 4.320 -0.001 0.000 0.293 276 A C -1.386 176.180 177.584 -0.030 0.000 1.087 276 A CA -0.791 51.222 52.037 -0.041 0.000 0.692 276 A CB 1.896 20.860 19.000 -0.059 0.000 1.291 276 A HN 0.685 nan 8.150 nan 0.000 0.407 277 R N 1.523 122.017 120.500 -0.010 0.000 2.445 277 R HA 0.561 4.900 4.340 -0.001 0.000 0.308 277 R C -2.202 174.092 176.300 -0.011 0.000 0.961 277 R CA -1.873 54.223 56.100 -0.007 0.000 0.862 277 R CB 1.625 31.928 30.300 0.004 0.000 1.144 277 R HN 0.512 nan 8.270 nan 0.000 0.447 278 P HA -0.025 nan 4.420 nan 0.000 0.261 278 P C 0.957 178.246 177.300 -0.020 0.000 1.268 278 P CA 0.032 63.124 63.100 -0.013 0.000 0.833 278 P CB 0.318 32.012 31.700 -0.009 0.000 1.231 279 L N 0.506 121.710 121.223 -0.032 0.000 1.990 279 L HA 0.019 4.359 4.340 -0.001 0.000 0.213 279 L C 1.336 178.188 176.870 -0.030 0.000 1.072 279 L CA 2.907 57.724 54.840 -0.038 0.000 0.755 279 L CB -1.228 40.792 42.059 -0.064 0.000 0.889 279 L HN 0.352 nan 8.230 nan 0.000 0.432 280 G N -1.362 107.415 108.800 -0.039 0.000 2.456 280 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.204 280 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.204 280 G C -0.623 174.234 174.900 -0.071 0.000 1.193 280 G CA 0.023 45.102 45.100 -0.034 0.000 1.220 280 G HN 0.553 nan 8.290 nan 0.000 0.565 281 E N 0.770 120.936 120.200 -0.056 0.000 2.133 281 E HA 0.651 5.000 4.350 -0.001 0.000 0.274 281 E C -0.059 176.522 176.600 -0.031 0.000 0.930 281 E CA -0.180 56.148 56.400 -0.120 0.000 0.770 281 E CB 1.112 30.790 29.700 -0.037 0.000 1.104 281 E HN 1.247 nan 8.360 nan 0.000 0.403 282 A N 4.295 127.096 122.820 -0.032 0.000 2.413 282 A HA 0.767 5.087 4.320 -0.001 0.000 0.307 282 A C -1.678 176.155 177.584 0.415 0.000 1.087 282 A CA -0.665 51.496 52.037 0.208 0.000 0.750 282 A CB 1.001 20.111 19.000 0.183 0.000 1.296 282 A HN 0.634 nan 8.150 nan 0.000 0.423 283 F N 1.098 121.217 119.950 0.281 0.000 2.596 283 F HA 0.632 5.158 4.527 -0.001 0.000 0.311 283 F C -1.350 174.427 175.800 -0.038 0.000 1.116 283 F CA -0.683 57.416 58.000 0.165 0.000 0.957 283 F CB 1.988 41.158 39.000 0.284 0.000 1.250 283 F HN 0.639 nan 8.300 nan 0.000 0.444 284 V N 4.837 124.144 119.914 -1.012 0.000 2.760 284 V HA 0.822 4.941 4.120 -0.001 0.000 0.309 284 V C -1.390 174.142 176.094 -0.937 0.000 1.077 284 V CA 0.062 61.850 62.300 -0.852 0.000 0.910 284 V CB 2.128 33.406 31.823 -0.908 0.000 1.008 284 V HN 1.031 nan 8.190 nan 0.000 0.424 285 T N 3.624 117.833 114.554 -0.574 0.000 2.900 285 T HA 0.932 5.282 4.350 -0.001 0.000 0.303 285 T C -0.417 174.178 174.700 -0.176 0.000 1.142 285 T CA 0.315 62.185 62.100 -0.383 0.000 1.007 285 T CB 1.556 70.256 68.868 -0.281 0.000 1.156 285 T HN 1.810 nan 8.240 nan 0.000 0.490 286 G N 2.458 111.187 108.800 -0.119 0.000 2.320 286 G HA2 0.501 4.460 3.960 -0.001 0.000 0.296 286 G HA3 0.501 4.460 3.960 -0.001 0.000 0.296 286 G C -3.402 171.468 174.900 -0.051 0.000 1.306 286 G CA -0.793 44.268 45.100 -0.064 0.000 0.836 286 G HN 0.662 nan 8.290 nan 0.000 0.517 287 P HA 0.268 nan 4.420 nan 0.000 0.265 287 P C 0.729 178.008 177.300 -0.034 0.000 1.193 287 P CA 0.759 63.841 63.100 -0.031 0.000 0.765 287 P CB 1.057 32.748 31.700 -0.016 0.000 0.823 288 G N 1.137 109.914 108.800 -0.039 0.000 3.192 288 G HA2 0.512 4.471 3.960 -0.001 0.000 0.239 288 G HA3 0.512 4.471 3.960 -0.001 0.000 0.239 288 G C 0.082 174.971 174.900 -0.018 0.000 1.084 288 G CA 0.392 45.474 45.100 -0.030 0.000 0.784 288 G HN 0.747 nan 8.290 nan 0.000 0.540 289 A N -1.454 121.354 122.820 -0.021 0.000 2.564 289 A HA 0.923 5.242 4.320 -0.001 0.000 0.291 289 A C -0.060 177.529 177.584 0.009 0.000 1.102 289 A CA 0.028 52.064 52.037 -0.003 0.000 0.660 289 A CB 0.863 19.858 19.000 -0.009 0.000 1.283 289 A HN 1.894 nan 8.150 nan 0.000 0.430 290 G N -1.812 107.010 108.800 0.037 0.000 2.525 290 G HA2 0.470 4.429 3.960 -0.001 0.000 0.685 290 G HA3 0.470 4.429 3.960 -0.001 0.000 0.685 290 G C 0.752 175.685 174.900 0.055 0.000 1.285 290 G CA 0.453 45.586 45.100 0.054 0.000 0.849 290 G HN 2.060 nan 8.290 nan 0.000 0.653 291 G N 0.135 108.970 108.800 0.059 0.000 2.453 291 G HA2 0.234 4.194 3.960 -0.001 0.000 0.215 291 G HA3 0.234 4.194 3.960 -0.001 0.000 0.215 291 G C 1.991 176.933 174.900 0.069 0.000 1.201 291 G CA 2.107 47.245 45.100 0.063 0.000 0.784 291 G HN 1.929 nan 8.290 nan 0.000 0.545 292 G N 1.040 109.873 108.800 0.055 0.000 2.418 292 G HA2 0.034 3.994 3.960 -0.001 0.000 0.217 292 G HA3 0.034 3.994 3.960 -0.001 0.000 0.217 292 G C 2.076 177.012 174.900 0.060 0.000 1.158 292 G CA 1.666 46.797 45.100 0.051 0.000 0.771 292 G HN 0.692 nan 8.290 nan 0.000 0.545 293 A N 0.257 123.108 122.820 0.051 0.000 1.902 293 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 293 A C 2.541 180.164 177.584 0.064 0.000 1.181 293 A CA 2.487 54.553 52.037 0.049 0.000 0.623 293 A CB -0.890 18.128 19.000 0.029 0.000 0.818 293 A HN 0.307 nan 8.150 nan 0.000 0.443 294 T N 0.186 114.780 114.554 0.067 0.000 2.857 294 T HA 0.075 4.424 4.350 -0.001 0.000 0.266 294 T C 2.226 176.995 174.700 0.115 0.000 1.048 294 T CA 1.314 63.457 62.100 0.073 0.000 1.139 294 T CB -0.413 68.490 68.868 0.059 0.000 0.874 294 T HN 0.580 nan 8.240 nan 0.000 0.455 295 A N 1.265 124.176 122.820 0.153 0.000 1.908 295 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 295 A C 2.562 180.320 177.584 0.290 0.000 1.181 295 A CA 2.061 54.258 52.037 0.265 0.000 0.627 295 A CB -1.120 18.021 19.000 0.235 0.000 0.818 295 A HN 0.441 nan 8.150 nan 0.000 0.445 296 S N -0.640 115.173 115.700 0.190 0.000 2.370 296 S HA -0.085 4.384 4.470 -0.001 0.000 0.226 296 S C 1.999 176.733 174.600 0.224 0.000 1.033 296 S CA 1.875 60.194 58.200 0.198 0.000 1.011 296 S CB -0.642 62.632 63.200 0.124 0.000 0.852 296 S HN 0.722 nan 8.310 nan 0.000 0.457 297 G N 1.086 109.983 108.800 0.162 0.000 2.408 297 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.217 297 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.217 297 G C 1.416 176.405 174.900 0.149 0.000 1.150 297 G CA 0.698 45.876 45.100 0.131 0.000 0.776 297 G HN 0.516 nan 8.290 nan 0.000 0.542 298 L N -0.938 120.379 121.223 0.156 0.000 2.056 298 L HA 0.060 4.399 4.340 -0.001 0.000 0.207 298 L C 2.533 179.551 176.870 0.247 0.000 1.078 298 L CA 0.749 55.634 54.840 0.076 0.000 0.749 298 L CB -0.380 41.579 42.059 -0.167 0.000 0.901 298 L HN 0.186 nan 8.230 nan 0.000 0.433 299 F N 0.772 120.904 119.950 0.303 0.000 2.186 299 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 299 F C 2.437 178.330 175.800 0.155 0.000 1.090 299 F CA 0.926 59.111 58.000 0.308 0.000 1.307 299 F CB -0.247 38.891 39.000 0.230 0.000 1.019 299 F HN -0.013 nan 8.300 nan 0.000 0.489 300 A N -0.281 122.658 122.820 0.198 0.000 1.933 300 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 300 A C 1.977 179.574 177.584 0.023 0.000 1.175 300 A CA 2.069 54.160 52.037 0.091 0.000 0.628 300 A CB -0.879 18.205 19.000 0.139 0.000 0.814 300 A HN 0.372 nan 8.150 nan 0.000 0.444 301 D N -0.600 119.837 120.400 0.063 0.000 2.183 301 D HA -0.073 4.567 4.640 -0.001 0.000 0.203 301 D C 1.871 178.088 176.300 -0.138 0.000 0.969 301 D CA 0.840 54.885 54.000 0.075 0.000 0.842 301 D CB -0.228 40.678 40.800 0.176 0.000 0.957 301 D HN 0.470 nan 8.370 nan 0.000 0.484 302 L N 0.152 121.259 121.223 -0.192 0.000 2.093 302 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 302 L C 2.100 178.768 176.870 -0.337 0.000 1.085 302 L CA 0.917 55.592 54.840 -0.274 0.000 0.755 302 L CB -0.043 41.870 42.059 -0.243 0.000 0.904 302 L HN -0.012 nan 8.230 nan 0.000 0.435 303 L N -0.458 120.508 121.223 -0.429 0.000 2.109 303 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 303 L C 2.791 179.463 176.870 -0.331 0.000 1.086 303 L CA 1.191 55.747 54.840 -0.473 0.000 0.760 303 L CB -0.520 41.342 42.059 -0.329 0.000 0.910 303 L HN 0.310 nan 8.230 nan 0.000 0.437 304 R N 0.233 120.647 120.500 -0.144 0.000 2.081 304 R HA -0.238 4.101 4.340 -0.001 0.000 0.235 304 R C 2.412 178.701 176.300 -0.017 0.000 1.131 304 R CA 1.817 57.905 56.100 -0.020 0.000 0.960 304 R CB -0.423 29.947 30.300 0.118 0.000 0.856 304 R HN 0.264 nan 8.270 nan 0.000 0.436 305 F N 1.146 120.938 119.950 -0.264 0.000 2.102 305 F HA -0.137 4.389 4.527 -0.001 0.000 0.298 305 F C 1.711 177.355 175.800 -0.259 0.000 1.105 305 F CA 1.453 59.269 58.000 -0.306 0.000 1.239 305 F CB -0.217 38.390 39.000 -0.655 0.000 0.991 305 F HN -0.009 nan 8.300 nan 0.000 0.474 306 L N 0.460 121.383 121.223 -0.499 0.000 2.265 306 L HA -0.200 4.139 4.340 -0.001 0.000 0.215 306 L C 2.551 179.098 176.870 -0.537 0.000 1.117 306 L CA 1.373 55.795 54.840 -0.697 0.000 0.782 306 L CB -0.924 40.536 42.059 -0.998 0.000 0.914 306 L HN 0.409 nan 8.230 nan 0.000 0.441 307 S N -0.826 114.642 115.700 -0.387 0.000 2.561 307 S HA 0.084 4.553 4.470 -0.001 0.000 0.225 307 S C 1.543 176.095 174.600 -0.081 0.000 0.977 307 S CA 0.488 58.645 58.200 -0.072 0.000 0.926 307 S CB 0.291 63.494 63.200 0.004 0.000 0.769 307 S HN 0.557 nan 8.310 nan 0.000 0.533 308 G N 0.305 108.987 108.800 -0.198 0.000 2.157 308 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.239 308 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.239 308 G C 0.151 175.008 174.900 -0.072 0.000 0.982 308 G CA -0.123 44.885 45.100 -0.154 0.000 0.650 308 G HN 1.292 nan 8.290 nan 0.000 0.527 309 A N 1.278 124.077 122.820 -0.034 0.000 2.331 309 A HA 0.801 5.120 4.320 -0.001 0.000 0.283 309 A C -0.982 176.652 177.584 0.082 0.000 1.142 309 A CA -0.899 51.146 52.037 0.013 0.000 0.812 309 A CB 0.923 19.930 19.000 0.013 0.000 1.074 309 A HN 0.242 nan 8.150 nan 0.000 0.497 310 P HA 0.220 nan 4.420 nan 0.000 0.274 310 P C 0.648 177.693 177.300 -0.425 0.000 1.260 310 P CA 0.086 63.145 63.100 -0.067 0.000 0.793 310 P CB 0.510 32.162 31.700 -0.080 0.000 1.048 311 G N -0.493 107.767 108.800 -0.900 0.000 2.516 311 G HA2 0.124 4.084 3.960 -0.001 0.000 0.276 311 G HA3 0.124 4.084 3.960 -0.001 0.000 0.276 311 G C -0.703 173.770 174.900 -0.711 0.000 1.390 311 G CA -0.427 43.764 45.100 -1.515 0.000 1.050 311 G HN 0.570 nan 8.290 nan 0.000 0.519 312 H N -0.645 118.244 119.070 -0.301 0.000 2.800 312 H HA 0.350 4.905 4.556 -0.001 0.000 0.291 312 H C 0.237 175.565 175.328 -0.000 0.000 1.076 312 H CA -0.185 55.784 56.048 -0.131 0.000 1.452 312 H CB 0.589 30.224 29.762 -0.211 0.000 1.461 312 H HN 0.114 nan 8.280 nan 0.000 0.488 313 L N 5.811 127.073 121.223 0.065 0.000 2.357 313 L HA 0.380 4.720 4.340 -0.001 0.000 0.273 313 L C -2.018 174.936 176.870 0.141 0.000 1.080 313 L CA -2.206 52.688 54.840 0.091 0.000 0.803 313 L CB 0.855 42.930 42.059 0.027 0.000 1.174 313 L HN 0.433 nan 8.230 nan 0.000 0.443 314 P HA 0.129 nan 4.420 nan 0.000 0.274 314 P C -0.682 176.686 177.300 0.114 0.000 1.237 314 P CA -0.459 62.769 63.100 0.214 0.000 0.793 314 P CB 0.609 32.517 31.700 0.345 0.000 0.977 315 A N 3.771 126.639 122.820 0.079 0.000 2.565 315 A HA 0.084 4.403 4.320 -0.001 0.000 0.237 315 A C -1.003 176.613 177.584 0.052 0.000 1.053 315 A CA -0.402 51.658 52.037 0.039 0.000 0.755 315 A CB -1.054 17.953 19.000 0.011 0.000 0.980 315 A HN 0.488 nan 8.150 nan 0.000 0.506 316 P HA -0.101 nan 4.420 nan 0.000 0.223 316 P C 0.214 177.536 177.300 0.036 0.000 1.144 316 P CA 1.389 64.508 63.100 0.031 0.000 0.783 316 P CB -0.064 31.647 31.700 0.018 0.000 0.771 317 R N -2.668 117.858 120.500 0.044 0.000 2.765 317 R HA 0.653 4.992 4.340 -0.001 0.000 0.277 317 R C -1.790 174.550 176.300 0.067 0.000 1.028 317 R CA -0.936 55.195 56.100 0.053 0.000 0.860 317 R CB 0.222 30.549 30.300 0.044 0.000 1.270 317 R HN -0.175 nan 8.270 nan 0.000 0.484 318 A N 1.652 124.523 122.820 0.084 0.000 2.304 318 A HA 0.756 5.075 4.320 -0.001 0.000 0.301 318 A C -0.582 177.081 177.584 0.132 0.000 1.132 318 A CA -0.632 51.474 52.037 0.115 0.000 0.819 318 A CB 0.713 19.794 19.000 0.136 0.000 1.094 318 A HN 0.783 nan 8.150 nan 0.000 0.492 319 R N 2.553 123.170 120.500 0.196 0.000 2.626 319 R HA 0.521 4.860 4.340 -0.001 0.000 0.274 319 R C -3.584 172.926 176.300 0.349 0.000 1.031 319 R CA -1.763 54.460 56.100 0.205 0.000 0.898 319 R CB 0.911 31.306 30.300 0.159 0.000 1.222 319 R HN 0.492 nan 8.270 nan 0.000 0.455 320 P HA 0.249 nan 4.420 nan 0.000 0.274 320 P C -2.371 174.829 177.300 -0.165 0.000 1.237 320 P CA -1.166 61.921 63.100 -0.021 0.000 0.793 320 P CB -0.003 31.652 31.700 -0.076 0.000 0.977 321 P HA -0.008 nan 4.420 nan 0.000 0.265 321 P C 0.724 177.830 177.300 -0.324 0.000 1.193 321 P CA -0.170 62.396 63.100 -0.889 0.000 0.765 321 P CB 0.667 31.542 31.700 -1.374 0.000 0.823 322 L N 2.573 123.713 121.223 -0.138 0.000 2.179 322 L HA 0.099 4.439 4.340 -0.001 0.000 0.208 322 L C 0.889 177.716 176.870 -0.073 0.000 1.096 322 L CA 1.772 56.577 54.840 -0.059 0.000 0.779 322 L CB -0.394 41.670 42.059 0.009 0.000 0.922 322 L HN 0.464 nan 8.230 nan 0.000 0.443 323 E N -1.317 118.830 120.200 -0.088 0.000 2.393 323 E HA 0.259 4.608 4.350 -0.001 0.000 0.273 323 E C -1.214 175.344 176.600 -0.070 0.000 0.918 323 E CA -0.783 55.582 56.400 -0.058 0.000 0.773 323 E CB 1.927 31.620 29.700 -0.011 0.000 1.275 323 E HN -0.026 nan 8.360 nan 0.000 0.451 324 E N 0.301 120.480 120.200 -0.036 0.000 2.289 324 E HA 0.425 4.774 4.350 -0.001 0.000 0.278 324 E C -0.466 176.162 176.600 0.047 0.000 1.032 324 E CA 0.029 56.427 56.400 -0.004 0.000 0.854 324 E CB 0.960 30.658 29.700 -0.004 0.000 1.046 324 E HN 0.558 nan 8.360 nan 0.000 0.409 325 G N 1.707 110.591 108.800 0.140 0.000 3.075 325 G HA2 0.654 4.613 3.960 -0.001 0.000 0.253 325 G HA3 0.654 4.613 3.960 -0.001 0.000 0.253 325 G C -1.160 173.744 174.900 0.008 0.000 1.353 325 G CA -0.374 44.799 45.100 0.122 0.000 1.051 325 G HN 0.943 nan 8.290 nan 0.000 0.553 326 S N -0.003 115.512 115.700 -0.307 0.000 2.551 326 S HA 0.406 4.876 4.470 -0.001 0.000 0.325 326 S C -3.026 171.192 174.600 -0.637 0.000 0.963 326 S CA -0.891 57.011 58.200 -0.496 0.000 0.876 326 S CB 1.536 64.600 63.200 -0.227 0.000 1.132 326 S HN 0.713 nan 8.310 nan 0.000 0.458 327 P HA 0.169 nan 4.420 nan 0.000 0.272 327 P C 0.183 177.258 177.300 -0.374 0.000 1.254 327 P CA -0.458 62.338 63.100 -0.507 0.000 0.795 327 P CB 0.464 32.034 31.700 -0.216 0.000 1.022 328 W N 0.160 121.295 121.300 -0.275 0.000 1.979 328 W HA 0.087 4.746 4.660 -0.001 0.000 0.359 328 W C -1.558 174.874 176.519 -0.144 0.000 1.354 328 W CA -0.679 56.539 57.345 -0.211 0.000 1.359 328 W CB -1.061 28.253 29.460 -0.244 0.000 1.248 328 W HN 0.323 nan 8.180 nan 0.000 0.641 329 P HA 0.131 nan 4.420 nan 0.000 0.272 329 P C 0.110 177.443 177.300 0.055 0.000 1.230 329 P CA 0.063 63.196 63.100 0.055 0.000 0.788 329 P CB 0.958 32.679 31.700 0.035 0.000 0.949 330 G N 0.519 109.340 108.800 0.034 0.000 2.630 330 G HA2 0.486 4.445 3.960 -0.001 0.000 0.223 330 G HA3 0.486 4.445 3.960 -0.001 0.000 0.223 330 G C -0.465 174.438 174.900 0.006 0.000 1.434 330 G CA -0.472 44.643 45.100 0.025 0.000 1.057 330 G HN 0.414 nan 8.290 nan 0.000 0.570 331 V N 0.000 119.914 119.914 -0.000 0.000 2.409 331 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 331 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 331 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 331 V HN 0.000 nan 8.190 nan 0.000 0.556