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 3in5_1_B DATA FIRST_RESID 22 DATA SEQUENCE NDNKAGMEGL DKEKINKIIM EATKGSRFYG NELKKEKQVN QRIENMMQQK DATA SEQUENCE AQITSQQLRK AQLQVDRFAM ELEQSRNLSN TIVHIDMDAF YAAVEMRDNP DATA SEQUENCE ELKDKPIAVG SMSMLSTSNY HARRFGVRAA MPGFIAKRLC PQLIIVPPNF DATA SEQUENCE DKYRAVSKEV KEILADYDPN FMAMSLDEAY LNITKHLEER QNWPEDKRRY DATA SEQUENCE FIXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXVVFGTSAQ EVVKEIRFRI EQKTTLTASA GIAPNTMLAK DATA SEQUENCE VCSDKNKPNG QYQILPNRQA VMDFIKDLPI RKVSGIGKVT EKMLKALGII DATA SEQUENCE TCTELYQQRA LLSLLFSETS WHYFLHISLG LGSTHLTRDG ERKSMSVERT DATA SEQUENCE FSEINKAEEQ YSLCQELCSE LAQDLQKERL KGRTVTIKLK NVNFEVKTRA DATA SEQUENCE STVSSVVSTA EEIFAIAKEL LKTEIDADFP HPLRLRLMGV RISSFPN 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 22 N HA 0.000 nan 4.740 nan 0.000 0.220 22 N C 0.000 175.508 175.510 -0.004 0.000 1.280 22 N CA 0.000 53.051 53.050 0.001 0.000 0.885 22 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 23 D N -1.426 118.969 120.400 -0.008 0.000 2.352 23 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 23 D C 0.098 176.388 176.300 -0.017 0.000 1.224 23 D CA 0.199 54.193 54.000 -0.011 0.000 0.879 23 D CB -0.583 40.211 40.800 -0.010 0.000 1.057 23 D HN 0.787 nan 8.370 nan 0.000 0.491 24 N N 2.238 120.929 118.700 -0.015 0.000 2.399 24 N HA 0.493 5.233 4.740 -0.000 0.000 0.259 24 N C 0.096 175.596 175.510 -0.017 0.000 1.160 24 N CA -0.064 52.976 53.050 -0.017 0.000 0.946 24 N CB 0.385 38.863 38.487 -0.015 0.000 1.156 24 N HN 0.667 nan 8.380 nan 0.000 0.489 25 K N -0.226 120.163 120.400 -0.019 0.000 2.658 25 K HA 0.643 4.963 4.320 -0.000 0.000 0.293 25 K C 0.133 176.723 176.600 -0.018 0.000 1.026 25 K CA 0.223 56.501 56.287 -0.016 0.000 0.871 25 K CB 1.555 34.044 32.500 -0.018 0.000 1.524 25 K HN 1.141 nan 8.250 nan 0.000 0.400 26 A N -0.208 122.610 122.820 -0.003 0.000 2.097 26 A HA -0.158 4.162 4.320 -0.000 0.000 0.229 26 A C 0.813 178.447 177.584 0.083 0.000 0.571 26 A CA 1.868 53.911 52.037 0.010 0.000 1.156 26 A CB -2.036 16.932 19.000 -0.053 0.000 1.413 26 A HN 1.519 nan 8.150 nan 0.000 0.705 27 G N -2.255 106.593 108.800 0.079 0.000 4.706 27 G HA2 0.448 4.407 3.960 -0.000 0.000 0.223 27 G HA3 0.448 4.407 3.960 -0.000 0.000 0.223 27 G C -0.128 174.855 174.900 0.139 0.000 0.812 27 G CA 0.296 45.517 45.100 0.202 0.000 1.222 27 G HN 0.676 nan 8.290 nan 0.000 0.732 28 M N 2.947 122.574 119.600 0.044 0.000 2.664 28 M HA 0.212 4.692 4.480 -0.000 0.000 0.332 28 M C 1.671 177.983 176.300 0.019 0.000 1.354 28 M CA -0.643 54.668 55.300 0.017 0.000 1.399 28 M CB 0.688 33.278 32.600 -0.016 0.000 1.224 28 M HN 0.463 nan 8.290 nan 0.000 0.479 29 E N 2.598 122.818 120.200 0.033 0.000 1.891 29 E HA -0.182 4.168 4.350 -0.000 0.000 0.225 29 E C 0.578 177.179 176.600 0.001 0.000 0.925 29 E CA 1.757 58.169 56.400 0.021 0.000 0.892 29 E CB -0.673 29.040 29.700 0.021 0.000 0.803 29 E HN 0.597 nan 8.360 nan 0.000 0.590 30 G N 0.983 109.778 108.800 -0.008 0.000 3.764 30 G HA2 0.491 4.451 3.960 -0.000 0.000 0.333 30 G HA3 0.491 4.451 3.960 -0.000 0.000 0.333 30 G C -0.689 174.198 174.900 -0.021 0.000 1.551 30 G CA -0.673 44.419 45.100 -0.013 0.000 0.995 30 G HN 0.075 nan 8.290 nan 0.000 0.485 31 L N 0.562 121.771 121.223 -0.022 0.000 2.466 31 L HA 0.321 4.661 4.340 -0.000 0.000 0.257 31 L C 0.663 177.518 176.870 -0.025 0.000 1.189 31 L CA -0.588 54.234 54.840 -0.030 0.000 0.813 31 L CB 0.882 42.926 42.059 -0.026 0.000 1.118 31 L HN 0.328 nan 8.230 nan 0.000 0.471 32 D N 0.420 120.803 120.400 -0.028 0.000 2.551 32 D HA 0.017 4.657 4.640 -0.000 0.000 0.223 32 D C 1.122 177.413 176.300 -0.014 0.000 1.144 32 D CA 0.243 54.230 54.000 -0.020 0.000 1.025 32 D CB 0.111 40.898 40.800 -0.021 0.000 1.085 32 D HN 0.406 nan 8.370 nan 0.000 0.506 33 K N 1.380 121.773 120.400 -0.013 0.000 2.211 33 K HA -0.229 4.091 4.320 -0.000 0.000 0.204 33 K C 1.994 178.590 176.600 -0.006 0.000 1.047 33 K CA 1.612 57.894 56.287 -0.009 0.000 0.935 33 K CB 0.257 32.752 32.500 -0.009 0.000 0.728 33 K HN 0.457 nan 8.250 nan 0.000 0.452 34 E N 0.882 121.078 120.200 -0.006 0.000 2.021 34 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 34 E C 2.106 178.704 176.600 -0.003 0.000 1.015 34 E CA 2.421 58.818 56.400 -0.004 0.000 0.824 34 E CB -1.177 28.521 29.700 -0.005 0.000 0.762 34 E HN 0.524 nan 8.360 nan 0.000 0.454 35 K N 0.087 120.486 120.400 -0.002 0.000 1.991 35 K HA 0.033 4.353 4.320 -0.000 0.000 0.212 35 K C 2.392 178.993 176.600 0.001 0.000 1.049 35 K CA 1.624 57.911 56.287 0.001 0.000 0.932 35 K CB -0.968 31.535 32.500 0.004 0.000 0.717 35 K HN 0.404 nan 8.250 nan 0.000 0.441 36 I N 2.103 122.673 120.570 0.000 0.000 2.151 36 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 36 I C 2.159 178.271 176.117 -0.007 0.000 1.080 36 I CA 1.577 62.876 61.300 -0.001 0.000 1.339 36 I CB -0.221 37.778 38.000 -0.003 0.000 1.039 36 I HN 0.424 nan 8.210 nan 0.000 0.409 37 N N 0.687 119.383 118.700 -0.005 0.000 2.244 37 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 37 N C 2.050 177.556 175.510 -0.006 0.000 1.016 37 N CA 1.723 54.771 53.050 -0.003 0.000 0.866 37 N CB -0.497 37.991 38.487 0.002 0.000 0.980 37 N HN 0.450 nan 8.380 nan 0.000 0.430 38 K N 1.777 122.173 120.400 -0.006 0.000 2.009 38 K HA -0.050 4.270 4.320 -0.000 0.000 0.210 38 K C 2.125 178.718 176.600 -0.012 0.000 1.049 38 K CA 1.371 57.654 56.287 -0.008 0.000 0.929 38 K CB -1.214 31.283 32.500 -0.004 0.000 0.714 38 K HN 0.197 nan 8.250 nan 0.000 0.440 39 I N 0.373 120.936 120.570 -0.011 0.000 2.226 39 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 39 I C 2.574 178.677 176.117 -0.024 0.000 1.100 39 I CA 1.418 62.710 61.300 -0.013 0.000 1.374 39 I CB -0.341 37.652 38.000 -0.012 0.000 1.057 39 I HN 0.251 nan 8.210 nan 0.000 0.413 40 I N -0.134 120.417 120.570 -0.031 0.000 2.179 40 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 40 I C 2.594 178.693 176.117 -0.029 0.000 1.088 40 I CA 1.456 62.733 61.300 -0.039 0.000 1.357 40 I CB -0.253 37.730 38.000 -0.029 0.000 1.051 40 I HN 0.259 nan 8.210 nan 0.000 0.409 41 M N 1.304 120.885 119.600 -0.031 0.000 2.175 41 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 41 M C 2.403 178.651 176.300 -0.087 0.000 1.063 41 M CA 2.314 57.573 55.300 -0.069 0.000 1.119 41 M CB -0.637 31.929 32.600 -0.056 0.000 1.377 41 M HN 0.286 nan 8.290 nan 0.000 0.415 42 E N -0.049 120.123 120.200 -0.047 0.000 2.049 42 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 42 E C 2.116 178.707 176.600 -0.016 0.000 1.007 42 E CA 2.081 58.462 56.400 -0.031 0.000 0.809 42 E CB -1.578 28.115 29.700 -0.011 0.000 0.749 42 E HN 0.756 nan 8.360 nan 0.000 0.450 43 A N 0.192 123.017 122.820 0.008 0.000 1.968 43 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 43 A C 2.526 180.161 177.584 0.085 0.000 1.169 43 A CA 2.168 54.248 52.037 0.073 0.000 0.638 43 A CB -0.395 18.643 19.000 0.064 0.000 0.812 43 A HN 0.453 nan 8.150 nan 0.000 0.446 44 T N -0.341 114.222 114.554 0.014 0.000 3.081 44 T HA 0.275 4.624 4.350 -0.000 0.000 0.250 44 T C 1.783 176.366 174.700 -0.196 0.000 1.100 44 T CA 1.381 63.494 62.100 0.020 0.000 1.038 44 T CB -0.279 68.640 68.868 0.084 0.000 0.962 44 T HN 0.861 nan 8.240 nan 0.000 0.516 45 K N 1.614 121.885 120.400 -0.215 0.000 2.484 45 K HA -0.247 4.073 4.320 -0.000 0.000 0.120 45 K C 1.431 177.829 176.600 -0.336 0.000 0.719 45 K CA 2.054 58.202 56.287 -0.232 0.000 0.821 45 K CB -1.734 30.718 32.500 -0.079 0.000 0.348 45 K HN 0.739 nan 8.250 nan 0.000 1.032 46 G N 0.128 108.865 108.800 -0.106 0.000 4.885 46 G HA2 0.471 4.431 3.960 -0.000 0.000 0.263 46 G HA3 0.471 4.431 3.960 -0.000 0.000 0.263 46 G C 0.193 175.160 174.900 0.112 0.000 1.168 46 G CA 0.965 46.077 45.100 0.020 0.000 0.906 46 G HN 1.385 nan 8.290 nan 0.000 0.575 47 S N -0.629 115.163 115.700 0.153 0.000 2.608 47 S HA 0.295 4.765 4.470 -0.000 0.000 0.261 47 S C 1.418 176.168 174.600 0.251 0.000 1.314 47 S CA -0.431 57.895 58.200 0.209 0.000 0.992 47 S CB 1.819 65.177 63.200 0.262 0.000 0.935 47 S HN 0.317 nan 8.310 nan 0.000 0.564 48 R N -0.582 120.085 120.500 0.277 0.000 2.092 48 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 48 R C 2.018 178.490 176.300 0.288 0.000 1.119 48 R CA 1.415 57.699 56.100 0.306 0.000 0.970 48 R CB -0.608 29.920 30.300 0.380 0.000 0.864 48 R HN 0.720 nan 8.270 nan 0.000 0.440 49 F N 0.673 120.646 119.950 0.037 0.000 2.025 49 F HA -0.361 4.166 4.527 -0.000 0.000 0.297 49 F C 2.141 177.797 175.800 -0.241 0.000 1.132 49 F CA 1.765 59.402 58.000 -0.604 0.000 1.191 49 F CB -0.878 37.805 39.000 -0.529 0.000 0.963 49 F HN 0.001 nan 8.300 nan 0.000 0.481 50 Y N 1.187 121.363 120.300 -0.206 0.000 2.151 50 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 50 Y C 2.496 178.269 175.900 -0.211 0.000 1.166 50 Y CA 1.814 59.769 58.100 -0.242 0.000 1.163 50 Y CB -1.131 37.327 38.460 -0.003 0.000 0.974 50 Y HN 0.186 nan 8.280 nan 0.000 0.511 51 G N 0.193 108.963 108.800 -0.052 0.000 2.491 51 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.218 51 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.218 51 G C 1.699 176.481 174.900 -0.197 0.000 1.180 51 G CA 1.081 46.127 45.100 -0.089 0.000 0.774 51 G HN 0.552 nan 8.290 nan 0.000 0.562 52 N N 0.402 118.988 118.700 -0.189 0.000 2.120 52 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 52 N C 1.975 177.299 175.510 -0.310 0.000 1.024 52 N CA 1.288 54.225 53.050 -0.189 0.000 0.852 52 N CB -0.166 38.256 38.487 -0.108 0.000 1.003 52 N HN 0.161 nan 8.380 nan 0.000 0.424 53 E N 0.808 120.698 120.200 -0.516 0.000 2.118 53 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 53 E C 2.030 178.379 176.600 -0.417 0.000 0.992 53 E CA 0.522 56.608 56.400 -0.523 0.000 0.804 53 E CB -0.302 28.977 29.700 -0.703 0.000 0.741 53 E HN 0.352 nan 8.360 nan 0.000 0.458 54 L N 0.980 121.917 121.223 -0.477 0.000 2.093 54 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 54 L C 2.631 179.373 176.870 -0.214 0.000 1.085 54 L CA 2.261 56.883 54.840 -0.363 0.000 0.755 54 L CB -1.275 40.556 42.059 -0.380 0.000 0.904 54 L HN 0.120 nan 8.230 nan 0.000 0.435 55 K N -0.318 119.972 120.400 -0.184 0.000 2.097 55 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 55 K C 2.152 178.688 176.600 -0.106 0.000 1.050 55 K CA 1.375 57.592 56.287 -0.117 0.000 0.938 55 K CB -0.555 31.892 32.500 -0.089 0.000 0.718 55 K HN 0.353 nan 8.250 nan 0.000 0.442 56 K N -0.209 120.113 120.400 -0.131 0.000 2.062 56 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 56 K C 2.265 178.808 176.600 -0.095 0.000 1.051 56 K CA 1.243 57.468 56.287 -0.104 0.000 0.941 56 K CB -0.024 32.405 32.500 -0.118 0.000 0.719 56 K HN 0.607 nan 8.250 nan 0.000 0.440 57 E N 1.444 121.569 120.200 -0.124 0.000 2.130 57 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 57 E C 2.010 178.565 176.600 -0.074 0.000 0.998 57 E CA 1.489 57.828 56.400 -0.102 0.000 0.806 57 E CB 0.126 29.747 29.700 -0.132 0.000 0.738 57 E HN 0.128 nan 8.360 nan 0.000 0.459 58 K N -0.353 120.000 120.400 -0.079 0.000 2.103 58 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 58 K C 2.487 179.061 176.600 -0.045 0.000 1.052 58 K CA 1.535 57.788 56.287 -0.058 0.000 0.945 58 K CB -0.114 32.349 32.500 -0.060 0.000 0.722 58 K HN 0.135 nan 8.250 nan 0.000 0.443 59 Q N 0.283 120.055 119.800 -0.047 0.000 2.170 59 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 59 Q C 2.083 178.067 176.000 -0.026 0.000 0.976 59 Q CA 1.873 57.655 55.803 -0.034 0.000 0.858 59 Q CB -0.852 27.866 28.738 -0.034 0.000 0.907 59 Q HN 0.239 nan 8.270 nan 0.000 0.433 60 V N 1.820 121.719 119.914 -0.026 0.000 2.307 60 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 60 V C 2.057 178.144 176.094 -0.011 0.000 1.045 60 V CA 1.820 64.112 62.300 -0.012 0.000 1.024 60 V CB -0.642 31.175 31.823 -0.011 0.000 0.651 60 V HN 0.665 nan 8.190 nan 0.000 0.449 61 N N 0.086 118.775 118.700 -0.019 0.000 2.149 61 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 61 N C 1.873 177.372 175.510 -0.017 0.000 1.019 61 N CA 1.463 54.503 53.050 -0.017 0.000 0.857 61 N CB -0.400 38.073 38.487 -0.022 0.000 0.997 61 N HN 0.488 nan 8.380 nan 0.000 0.426 62 Q N 1.329 121.117 119.800 -0.021 0.000 2.050 62 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 62 Q C 2.045 178.032 176.000 -0.022 0.000 0.980 62 Q CA 1.402 57.192 55.803 -0.021 0.000 0.840 62 Q CB -0.254 28.471 28.738 -0.023 0.000 0.898 62 Q HN 0.201 nan 8.270 nan 0.000 0.424 63 R N -0.357 120.131 120.500 -0.019 0.000 2.115 63 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 63 R C 2.269 178.553 176.300 -0.026 0.000 1.133 63 R CA 2.199 58.286 56.100 -0.021 0.000 0.935 63 R CB -0.580 29.716 30.300 -0.008 0.000 0.853 63 R HN 0.400 nan 8.270 nan 0.000 0.433 64 I N -0.020 120.542 120.570 -0.013 0.000 2.226 64 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 64 I C 2.383 178.488 176.117 -0.020 0.000 1.100 64 I CA 1.444 62.738 61.300 -0.009 0.000 1.374 64 I CB -0.344 37.659 38.000 0.005 0.000 1.057 64 I HN 0.285 nan 8.210 nan 0.000 0.413 65 E N 1.741 121.930 120.200 -0.019 0.000 2.070 65 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 65 E C 1.684 178.267 176.600 -0.028 0.000 1.004 65 E CA 2.106 58.493 56.400 -0.021 0.000 0.805 65 E CB -0.369 29.320 29.700 -0.019 0.000 0.744 65 E HN 0.528 nan 8.360 nan 0.000 0.451 66 N N -0.558 118.122 118.700 -0.034 0.000 2.166 66 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 66 N C 1.889 177.367 175.510 -0.054 0.000 1.019 66 N CA 1.219 54.244 53.050 -0.041 0.000 0.856 66 N CB -0.217 38.244 38.487 -0.044 0.000 0.993 66 N HN 0.224 nan 8.380 nan 0.000 0.426 67 M N 0.410 119.970 119.600 -0.065 0.000 2.067 67 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 67 M C 1.664 177.927 176.300 -0.060 0.000 1.069 67 M CA 1.382 56.628 55.300 -0.091 0.000 1.117 67 M CB 0.051 32.586 32.600 -0.109 0.000 1.334 67 M HN 0.129 nan 8.290 nan 0.000 0.407 68 M N 0.162 119.739 119.600 -0.038 0.000 2.080 68 M HA -0.233 4.246 4.480 -0.000 0.000 0.260 68 M C 2.027 178.310 176.300 -0.029 0.000 1.068 68 M CA 1.697 56.981 55.300 -0.026 0.000 1.109 68 M CB -1.863 30.726 32.600 -0.018 0.000 1.342 68 M HN 0.312 nan 8.290 nan 0.000 0.405 69 Q N 0.338 120.120 119.800 -0.030 0.000 2.181 69 Q HA -0.178 4.162 4.340 -0.000 0.000 0.205 69 Q C 2.071 178.053 176.000 -0.031 0.000 0.980 69 Q CA 1.523 57.309 55.803 -0.028 0.000 0.862 69 Q CB -0.427 28.295 28.738 -0.027 0.000 0.905 69 Q HN 0.651 nan 8.270 nan 0.000 0.429 70 Q N 0.251 120.027 119.800 -0.039 0.000 2.020 70 Q HA -0.133 4.206 4.340 -0.000 0.000 0.198 70 Q C 2.096 178.075 176.000 -0.036 0.000 0.974 70 Q CA 1.389 57.168 55.803 -0.041 0.000 0.829 70 Q CB -0.106 28.599 28.738 -0.055 0.000 0.894 70 Q HN 0.232 nan 8.270 nan 0.000 0.433 71 K N 0.710 121.087 120.400 -0.038 0.000 2.052 71 K HA -0.267 4.053 4.320 -0.000 0.000 0.215 71 K C 1.904 178.488 176.600 -0.026 0.000 1.053 71 K CA 1.691 57.960 56.287 -0.029 0.000 0.934 71 K CB -0.340 32.146 32.500 -0.023 0.000 0.717 71 K HN 0.214 nan 8.250 nan 0.000 0.450 72 A N 0.378 123.184 122.820 -0.024 0.000 2.131 72 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 72 A C 1.488 179.060 177.584 -0.020 0.000 1.158 72 A CA 1.606 53.630 52.037 -0.021 0.000 0.665 72 A CB -0.257 18.731 19.000 -0.019 0.000 0.795 72 A HN 0.596 nan 8.150 nan 0.000 0.460 73 Q N -0.847 118.940 119.800 -0.022 0.000 2.179 73 Q HA 0.345 4.684 4.340 -0.000 0.000 0.213 73 Q C -0.648 175.339 176.000 -0.021 0.000 0.833 73 Q CA -0.299 55.492 55.803 -0.020 0.000 0.990 73 Q CB 0.563 29.290 28.738 -0.019 0.000 1.132 73 Q HN 0.623 nan 8.270 nan 0.000 0.493 74 I N 2.580 123.135 120.570 -0.024 0.000 2.396 74 I HA 0.036 4.206 4.170 -0.000 0.000 0.289 74 I C 0.978 177.080 176.117 -0.025 0.000 1.056 74 I CA -0.152 61.132 61.300 -0.026 0.000 1.365 74 I CB 0.839 38.820 38.000 -0.031 0.000 1.407 74 I HN 0.059 nan 8.210 nan 0.000 0.509 75 T N 1.340 115.880 114.554 -0.023 0.000 2.882 75 T HA 0.076 4.426 4.350 -0.000 0.000 0.287 75 T C 1.122 175.807 174.700 -0.025 0.000 1.014 75 T CA -0.617 61.470 62.100 -0.022 0.000 1.049 75 T CB 1.697 70.554 68.868 -0.019 0.000 1.001 75 T HN 0.552 nan 8.240 nan 0.000 0.525 76 S N 0.385 116.071 115.700 -0.023 0.000 2.399 76 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 76 S C 2.111 176.696 174.600 -0.026 0.000 1.022 76 S CA 1.608 59.793 58.200 -0.025 0.000 0.983 76 S CB -0.645 62.542 63.200 -0.021 0.000 0.803 76 S HN 0.879 nan 8.310 nan 0.000 0.480 77 Q N 0.421 120.208 119.800 -0.022 0.000 2.050 77 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 77 Q C 2.010 177.995 176.000 -0.026 0.000 0.980 77 Q CA 1.622 57.412 55.803 -0.021 0.000 0.840 77 Q CB -0.637 28.091 28.738 -0.016 0.000 0.898 77 Q HN 0.584 nan 8.270 nan 0.000 0.424 78 Q N 0.479 120.262 119.800 -0.027 0.000 2.002 78 Q HA -0.149 4.190 4.340 -0.000 0.000 0.204 78 Q C 2.240 178.213 176.000 -0.045 0.000 0.988 78 Q CA 1.608 57.392 55.803 -0.032 0.000 0.843 78 Q CB -0.232 28.488 28.738 -0.030 0.000 0.908 78 Q HN 0.300 nan 8.270 nan 0.000 0.420 79 L N 1.186 122.380 121.223 -0.049 0.000 2.137 79 L HA -0.253 4.086 4.340 -0.000 0.000 0.213 79 L C 2.344 179.174 176.870 -0.066 0.000 1.085 79 L CA 1.888 56.691 54.840 -0.062 0.000 0.760 79 L CB -0.483 41.543 42.059 -0.054 0.000 0.893 79 L HN 0.160 nan 8.230 nan 0.000 0.434 80 R N -0.525 119.945 120.500 -0.051 0.000 2.073 80 R HA -0.198 4.142 4.340 -0.000 0.000 0.229 80 R C 2.413 178.684 176.300 -0.048 0.000 1.120 80 R CA 1.719 57.791 56.100 -0.047 0.000 0.967 80 R CB -0.305 29.975 30.300 -0.034 0.000 0.862 80 R HN 0.334 nan 8.270 nan 0.000 0.436 81 K N 0.031 120.405 120.400 -0.043 0.000 2.097 81 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 81 K C 1.936 178.502 176.600 -0.057 0.000 1.049 81 K CA 1.250 57.514 56.287 -0.038 0.000 0.933 81 K CB -0.134 32.350 32.500 -0.026 0.000 0.717 81 K HN 0.300 nan 8.250 nan 0.000 0.442 82 A N 1.028 123.796 122.820 -0.087 0.000 1.933 82 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 82 A C 2.068 179.564 177.584 -0.148 0.000 1.175 82 A CA 1.228 53.180 52.037 -0.143 0.000 0.628 82 A CB -0.466 18.423 19.000 -0.185 0.000 0.814 82 A HN 0.347 nan 8.150 nan 0.000 0.444 83 Q N -0.751 118.980 119.800 -0.115 0.000 2.030 83 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 83 Q C 2.144 178.105 176.000 -0.065 0.000 0.986 83 Q CA 1.362 57.103 55.803 -0.102 0.000 0.843 83 Q CB -0.657 28.032 28.738 -0.082 0.000 0.904 83 Q HN 0.570 nan 8.270 nan 0.000 0.420 84 L N 1.290 122.487 121.223 -0.042 0.000 1.963 84 L HA -0.277 4.063 4.340 -0.000 0.000 0.220 84 L C 2.246 179.119 176.870 0.004 0.000 1.076 84 L CA 2.075 56.907 54.840 -0.012 0.000 0.772 84 L CB -1.300 40.755 42.059 -0.006 0.000 0.892 84 L HN 0.238 nan 8.230 nan 0.000 0.435 85 Q N -0.835 118.962 119.800 -0.006 0.000 1.998 85 Q HA -0.211 4.129 4.340 -0.000 0.000 0.209 85 Q C 2.156 178.188 176.000 0.053 0.000 1.002 85 Q CA 2.828 58.648 55.803 0.027 0.000 0.858 85 Q CB -0.623 28.108 28.738 -0.012 0.000 0.932 85 Q HN 0.483 nan 8.270 nan 0.000 0.416 86 V N 0.980 120.858 119.914 -0.061 0.000 2.295 86 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 86 V C 1.657 177.808 176.094 0.096 0.000 1.049 86 V CA 2.041 64.309 62.300 -0.053 0.000 1.024 86 V CB -0.683 30.990 31.823 -0.251 0.000 0.648 86 V HN 0.388 nan 8.190 nan 0.000 0.447 87 D N 0.206 120.629 120.400 0.038 0.000 2.182 87 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 87 D C 2.428 178.792 176.300 0.107 0.000 0.986 87 D CA 1.940 55.982 54.000 0.069 0.000 0.847 87 D CB -0.134 40.681 40.800 0.026 0.000 0.942 87 D HN 0.514 nan 8.370 nan 0.000 0.467 88 R N 0.608 121.175 120.500 0.112 0.000 2.062 88 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 88 R C 2.227 178.613 176.300 0.143 0.000 1.136 88 R CA 1.487 57.652 56.100 0.108 0.000 0.948 88 R CB -1.828 28.534 30.300 0.102 0.000 0.845 88 R HN 0.260 nan 8.270 nan 0.000 0.430 89 F N 1.462 121.462 119.950 0.083 0.000 2.063 89 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 89 F C 2.784 178.632 175.800 0.081 0.000 1.109 89 F CA 2.122 60.186 58.000 0.107 0.000 1.212 89 F CB -0.488 38.621 39.000 0.182 0.000 0.973 89 F HN 0.370 nan 8.300 nan 0.000 0.480 90 A N -0.008 123.017 122.820 0.342 0.000 1.940 90 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 90 A C 2.321 179.958 177.584 0.089 0.000 1.176 90 A CA 1.936 54.115 52.037 0.237 0.000 0.631 90 A CB -0.909 18.244 19.000 0.256 0.000 0.814 90 A HN 0.611 nan 8.150 nan 0.000 0.446 91 M N -0.706 118.933 119.600 0.065 0.000 2.086 91 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 91 M C 2.012 178.291 176.300 -0.036 0.000 1.067 91 M CA 2.133 57.444 55.300 0.019 0.000 1.116 91 M CB -0.210 32.404 32.600 0.024 0.000 1.348 91 M HN 0.563 nan 8.290 nan 0.000 0.407 92 E N 0.272 120.418 120.200 -0.090 0.000 2.017 92 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 92 E C 1.970 178.471 176.600 -0.165 0.000 0.997 92 E CA 1.584 57.895 56.400 -0.147 0.000 0.804 92 E CB -0.366 29.192 29.700 -0.238 0.000 0.757 92 E HN 0.486 nan 8.360 nan 0.000 0.448 93 L N 0.936 122.022 121.223 -0.229 0.000 2.085 93 L HA -0.312 4.028 4.340 -0.000 0.000 0.218 93 L C 2.601 179.405 176.870 -0.109 0.000 1.080 93 L CA 1.427 56.157 54.840 -0.183 0.000 0.776 93 L CB -0.342 41.626 42.059 -0.152 0.000 0.891 93 L HN 0.176 nan 8.230 nan 0.000 0.437 94 E N -0.588 119.569 120.200 -0.071 0.000 2.072 94 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 94 E C 2.177 178.748 176.600 -0.048 0.000 0.982 94 E CA 0.981 57.350 56.400 -0.051 0.000 0.803 94 E CB 0.037 29.719 29.700 -0.030 0.000 0.755 94 E HN 0.277 nan 8.360 nan 0.000 0.453 95 Q N -0.280 119.490 119.800 -0.050 0.000 2.369 95 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 95 Q C 1.044 177.018 176.000 -0.044 0.000 0.963 95 Q CA 1.196 56.974 55.803 -0.042 0.000 0.894 95 Q CB 0.143 28.857 28.738 -0.041 0.000 0.965 95 Q HN 0.307 nan 8.270 nan 0.000 0.475 96 S N -0.631 115.036 115.700 -0.056 0.000 2.526 96 S HA 0.262 4.732 4.470 -0.000 0.000 0.245 96 S C 0.260 174.835 174.600 -0.041 0.000 1.103 96 S CA -0.672 57.500 58.200 -0.047 0.000 1.095 96 S CB 0.237 63.403 63.200 -0.056 0.000 0.826 96 S HN 0.110 nan 8.310 nan 0.000 0.468 97 R N 1.908 122.384 120.500 -0.040 0.000 2.267 97 R HA 0.244 4.584 4.340 -0.000 0.000 0.319 97 R C -0.742 175.545 176.300 -0.021 0.000 1.067 97 R CA -0.100 55.980 56.100 -0.033 0.000 0.936 97 R CB 0.175 30.453 30.300 -0.036 0.000 1.006 97 R HN 0.486 nan 8.270 nan 0.000 0.452 98 N N 4.301 122.994 118.700 -0.011 0.000 2.457 98 N HA 0.170 4.910 4.740 -0.000 0.000 0.250 98 N C -0.186 175.320 175.510 -0.006 0.000 0.982 98 N CA -0.459 52.588 53.050 -0.006 0.000 0.941 98 N CB 0.801 39.289 38.487 0.003 0.000 1.120 98 N HN 0.616 nan 8.380 nan 0.000 0.505 99 L N 2.361 123.579 121.223 -0.009 0.000 2.857 99 L HA 0.275 4.615 4.340 -0.000 0.000 0.249 99 L C 1.572 178.436 176.870 -0.010 0.000 1.172 99 L CA -0.091 54.742 54.840 -0.012 0.000 0.980 99 L CB 0.496 42.545 42.059 -0.015 0.000 1.299 99 L HN 0.503 nan 8.230 nan 0.000 0.535 100 S N -0.339 115.358 115.700 -0.005 0.000 2.382 100 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 100 S C 0.847 175.448 174.600 0.002 0.000 1.027 100 S CA 0.971 59.170 58.200 -0.001 0.000 0.991 100 S CB -0.321 62.881 63.200 0.003 0.000 0.823 100 S HN 0.511 nan 8.310 nan 0.000 0.469 101 N N 0.942 119.645 118.700 0.004 0.000 2.492 101 N HA 0.282 5.022 4.740 -0.000 0.000 0.289 101 N C -1.206 174.304 175.510 -0.001 0.000 1.133 101 N CA 0.036 53.091 53.050 0.009 0.000 0.961 101 N CB 1.128 39.626 38.487 0.018 0.000 1.186 101 N HN 0.002 nan 8.380 nan 0.000 0.493 102 T N 2.121 116.677 114.554 0.003 0.000 2.963 102 T HA 0.327 4.677 4.350 -0.000 0.000 0.343 102 T C 0.017 174.721 174.700 0.007 0.000 1.146 102 T CA -0.537 61.560 62.100 -0.004 0.000 1.016 102 T CB 0.153 69.017 68.868 -0.007 0.000 1.046 102 T HN 0.258 nan 8.240 nan 0.000 0.496 103 I N 3.602 124.175 120.570 0.004 0.000 2.342 103 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 103 I C 0.234 176.390 176.117 0.065 0.000 1.010 103 I CA -0.891 60.424 61.300 0.026 0.000 1.308 103 I CB 1.000 38.986 38.000 -0.025 0.000 1.400 103 I HN 0.253 nan 8.210 nan 0.000 0.488 104 V N 5.953 125.930 119.914 0.104 0.000 2.581 104 V HA 0.345 4.465 4.120 -0.000 0.000 0.303 104 V C -0.041 176.192 176.094 0.231 0.000 1.041 104 V CA -0.699 61.665 62.300 0.106 0.000 0.907 104 V CB 2.162 33.987 31.823 0.004 0.000 0.994 104 V HN 0.664 nan 8.190 nan 0.000 0.442 105 H N 5.107 124.244 119.070 0.112 0.000 2.466 105 H HA 0.505 5.061 4.556 -0.000 0.000 0.338 105 H C -1.457 173.838 175.328 -0.054 0.000 1.091 105 H CA -0.723 55.348 56.048 0.038 0.000 1.207 105 H CB 1.607 31.408 29.762 0.065 0.000 1.466 105 H HN 0.378 nan 8.280 nan 0.000 0.493 106 I N 4.690 124.978 120.570 -0.470 0.000 2.378 106 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 106 I C -0.093 175.756 176.117 -0.446 0.000 0.992 106 I CA -0.385 60.720 61.300 -0.326 0.000 1.154 106 I CB 1.518 39.370 38.000 -0.246 0.000 1.315 106 I HN 0.598 nan 8.210 nan 0.000 0.448 107 D N 7.643 127.908 120.400 -0.224 0.000 2.696 107 D HA 0.303 4.943 4.640 -0.000 0.000 0.251 107 D C -0.581 175.643 176.300 -0.125 0.000 1.188 107 D CA -0.493 53.407 54.000 -0.166 0.000 0.876 107 D CB 1.663 42.487 40.800 0.040 0.000 1.334 107 D HN 0.158 nan 8.370 nan 0.000 0.540 108 M N 2.257 121.733 119.600 -0.206 0.000 2.219 108 M HA 0.135 4.615 4.480 -0.000 0.000 0.353 108 M C -0.103 176.195 176.300 -0.003 0.000 1.304 108 M CA -0.081 55.129 55.300 -0.151 0.000 1.115 108 M CB 0.364 32.749 32.600 -0.359 0.000 1.664 108 M HN 0.234 nan 8.290 nan 0.000 0.459 109 D N 3.441 123.884 120.400 0.071 0.000 2.401 109 D HA 0.240 4.880 4.640 -0.000 0.000 0.254 109 D C 0.743 177.194 176.300 0.251 0.000 1.192 109 D CA 0.414 54.520 54.000 0.175 0.000 0.885 109 D CB 0.642 41.507 40.800 0.110 0.000 1.147 109 D HN 0.779 nan 8.370 nan 0.000 0.478 110 A N 2.984 125.961 122.820 0.262 0.000 2.745 110 A HA -0.307 4.013 4.320 -0.000 0.000 0.296 110 A C 1.168 178.842 177.584 0.150 0.000 1.500 110 A CA 0.381 52.508 52.037 0.150 0.000 0.766 110 A CB -2.183 16.953 19.000 0.228 0.000 1.030 110 A HN 0.532 nan 8.150 nan 0.000 0.489 111 F N -0.202 119.720 119.950 -0.046 0.000 2.123 111 F HA -0.309 4.218 4.527 -0.000 0.000 0.302 111 F C 2.148 177.917 175.800 -0.052 0.000 1.251 111 F CA 2.388 60.361 58.000 -0.045 0.000 1.236 111 F CB -1.202 37.760 39.000 -0.063 0.000 0.927 111 F HN 0.528 nan 8.300 nan 0.000 0.554 112 Y N 0.029 119.973 120.300 -0.594 0.000 2.030 112 Y HA -0.381 4.169 4.550 -0.000 0.000 0.272 112 Y C 2.683 178.323 175.900 -0.433 0.000 1.185 112 Y CA 0.915 58.412 58.100 -1.004 0.000 1.120 112 Y CB -1.230 36.694 38.460 -0.893 0.000 0.955 112 Y HN 0.346 nan 8.280 nan 0.000 0.495 113 A N 0.360 123.152 122.820 -0.046 0.000 1.927 113 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 113 A C 2.385 179.984 177.584 0.026 0.000 1.185 113 A CA 2.211 54.251 52.037 0.005 0.000 0.639 113 A CB -1.222 17.783 19.000 0.008 0.000 0.820 113 A HN 0.529 nan 8.150 nan 0.000 0.451 114 A N -0.315 122.526 122.820 0.035 0.000 1.855 114 A HA 0.171 4.491 4.320 -0.000 0.000 0.215 114 A C 2.486 180.095 177.584 0.041 0.000 1.191 114 A CA 2.454 54.531 52.037 0.066 0.000 0.613 114 A CB -1.418 17.656 19.000 0.123 0.000 0.829 114 A HN 1.249 nan 8.150 nan 0.000 0.442 115 V N 0.091 120.000 119.914 -0.009 0.000 2.278 115 V HA -0.321 3.799 4.120 -0.000 0.000 0.251 115 V C 2.211 178.337 176.094 0.053 0.000 1.062 115 V CA 3.036 65.349 62.300 0.021 0.000 1.038 115 V CB -0.752 31.093 31.823 0.038 0.000 0.646 115 V HN 0.573 nan 8.190 nan 0.000 0.447 116 E N -0.208 120.032 120.200 0.067 0.000 2.208 116 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 116 E C 2.266 178.893 176.600 0.045 0.000 0.988 116 E CA 1.206 57.644 56.400 0.062 0.000 0.828 116 E CB -0.201 29.545 29.700 0.077 0.000 0.763 116 E HN 0.779 nan 8.360 nan 0.000 0.478 117 M N 0.657 120.285 119.600 0.047 0.000 2.080 117 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 117 M C 2.488 178.811 176.300 0.039 0.000 1.068 117 M CA 1.340 56.669 55.300 0.048 0.000 1.109 117 M CB -0.724 31.912 32.600 0.060 0.000 1.342 117 M HN 0.056 nan 8.290 nan 0.000 0.405 118 R N 0.757 121.280 120.500 0.038 0.000 2.070 118 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 118 R C 1.473 177.787 176.300 0.023 0.000 1.138 118 R CA 2.146 58.264 56.100 0.031 0.000 0.936 118 R CB -0.391 29.929 30.300 0.033 0.000 0.839 118 R HN 0.267 nan 8.270 nan 0.000 0.429 119 D N 0.616 121.029 120.400 0.022 0.000 2.117 119 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 119 D C 0.541 176.847 176.300 0.011 0.000 0.982 119 D CA 0.927 54.935 54.000 0.012 0.000 0.828 119 D CB -0.317 40.486 40.800 0.005 0.000 0.967 119 D HN 0.199 nan 8.370 nan 0.000 0.464 120 N N 0.249 118.958 118.700 0.016 0.000 2.485 120 N HA 0.095 4.835 4.740 -0.000 0.000 0.243 120 N C -2.193 173.328 175.510 0.019 0.000 0.987 120 N CA -1.662 51.398 53.050 0.015 0.000 0.940 120 N CB 2.099 40.595 38.487 0.016 0.000 1.122 120 N HN -0.217 nan 8.380 nan 0.000 0.509 121 P HA -0.013 nan 4.420 nan 0.000 0.221 121 P C 1.125 178.435 177.300 0.017 0.000 1.150 121 P CA 1.221 64.331 63.100 0.017 0.000 0.800 121 P CB 0.278 31.986 31.700 0.013 0.000 0.787 122 E N 0.453 120.663 120.200 0.016 0.000 2.171 122 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 122 E C 1.567 178.179 176.600 0.020 0.000 0.997 122 E CA 1.969 58.379 56.400 0.016 0.000 0.810 122 E CB -1.698 28.011 29.700 0.014 0.000 0.738 122 E HN 0.351 nan 8.360 nan 0.000 0.467 123 L N -3.346 117.892 121.223 0.025 0.000 2.640 123 L HA 0.541 4.881 4.340 -0.000 0.000 0.230 123 L C 2.337 179.230 176.870 0.039 0.000 1.123 123 L CA 0.943 55.803 54.840 0.032 0.000 0.900 123 L CB -0.544 41.536 42.059 0.035 0.000 1.146 123 L HN 0.158 nan 8.230 nan 0.000 0.484 124 K N 0.719 121.138 120.400 0.032 0.000 2.362 124 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 124 K C 0.873 177.490 176.600 0.028 0.000 1.045 124 K CA 1.734 58.042 56.287 0.034 0.000 0.936 124 K CB -1.761 30.754 32.500 0.026 0.000 0.747 124 K HN 0.754 nan 8.250 nan 0.000 0.467 125 D N -0.467 119.943 120.400 0.018 0.000 2.441 125 D HA 0.562 5.202 4.640 -0.000 0.000 0.287 125 D C -0.151 176.153 176.300 0.007 0.000 1.198 125 D CA 0.357 54.351 54.000 -0.010 0.000 0.894 125 D CB 0.010 40.794 40.800 -0.027 0.000 1.070 125 D HN 0.828 nan 8.370 nan 0.000 0.499 126 K N 0.619 121.058 120.400 0.064 0.000 2.625 126 K HA 0.827 5.147 4.320 -0.000 0.000 0.284 126 K C -3.466 173.310 176.600 0.293 0.000 0.984 126 K CA -1.214 55.162 56.287 0.149 0.000 0.865 126 K CB 0.695 33.247 32.500 0.085 0.000 1.468 126 K HN 0.214 nan 8.250 nan 0.000 0.407 127 P HA 0.457 nan 4.420 nan 0.000 0.276 127 P C -0.569 176.740 177.300 0.014 0.000 1.264 127 P CA -0.198 62.978 63.100 0.128 0.000 0.769 127 P CB -0.244 31.327 31.700 -0.214 0.000 0.840 128 I N 0.332 120.922 120.570 0.033 0.000 2.934 128 I HA 0.957 5.127 4.170 -0.000 0.000 0.306 128 I C -1.399 174.713 176.117 -0.009 0.000 1.110 128 I CA -1.359 59.948 61.300 0.011 0.000 1.019 128 I CB 2.713 40.736 38.000 0.038 0.000 1.227 128 I HN 0.270 nan 8.210 nan 0.000 0.434 129 A N 3.824 126.637 122.820 -0.013 0.000 2.549 129 A HA 0.758 5.078 4.320 -0.000 0.000 0.297 129 A C -1.400 176.191 177.584 0.012 0.000 1.061 129 A CA -0.652 51.375 52.037 -0.017 0.000 0.690 129 A CB 1.853 20.829 19.000 -0.040 0.000 1.287 129 A HN 0.588 nan 8.150 nan 0.000 0.402 130 V N 1.968 121.896 119.914 0.023 0.000 2.383 130 V HA 0.733 4.853 4.120 -0.000 0.000 0.275 130 V C 0.919 177.068 176.094 0.091 0.000 1.036 130 V CA 1.246 63.595 62.300 0.082 0.000 0.889 130 V CB 0.445 32.352 31.823 0.139 0.000 0.985 130 V HN 1.839 nan 8.190 nan 0.000 0.459 131 G N 4.152 113.017 108.800 0.107 0.000 2.341 131 G HA2 0.422 4.382 3.960 -0.000 0.000 0.059 131 G HA3 0.422 4.382 3.960 -0.000 0.000 0.059 131 G C -0.387 174.570 174.900 0.096 0.000 0.897 131 G CA 0.460 45.627 45.100 0.111 0.000 1.142 131 G HN 1.405 nan 8.290 nan 0.000 0.433 132 S N -1.895 113.849 115.700 0.074 0.000 2.636 132 S HA 0.494 4.964 4.470 -0.000 0.000 0.266 132 S C 0.699 175.342 174.600 0.071 0.000 1.147 132 S CA 0.625 58.867 58.200 0.070 0.000 0.815 132 S CB 1.153 64.398 63.200 0.076 0.000 1.119 132 S HN 1.128 nan 8.310 nan 0.000 0.470 133 M N 1.746 121.395 119.600 0.081 0.000 2.358 133 M HA 0.130 4.610 4.480 -0.000 0.000 0.264 133 M C 1.952 178.369 176.300 0.195 0.000 1.064 133 M CA 1.711 57.086 55.300 0.126 0.000 1.093 133 M CB -1.095 31.568 32.600 0.104 0.000 1.401 133 M HN 0.733 nan 8.290 nan 0.000 0.440 134 S N -0.433 115.347 115.700 0.134 0.000 2.383 134 S HA 0.092 4.562 4.470 -0.000 0.000 0.227 134 S C 0.607 175.269 174.600 0.104 0.000 1.026 134 S CA 1.108 59.391 58.200 0.138 0.000 0.981 134 S CB -0.031 63.221 63.200 0.088 0.000 0.818 134 S HN 0.532 nan 8.310 nan 0.000 0.472 135 M N -0.141 119.496 119.600 0.063 0.000 2.569 135 M HA 0.382 4.862 4.480 -0.000 0.000 0.287 135 M C -2.553 173.758 176.300 0.019 0.000 1.130 135 M CA -0.214 55.097 55.300 0.018 0.000 0.885 135 M CB 0.908 33.526 32.600 0.030 0.000 1.759 135 M HN -0.057 nan 8.290 nan 0.000 0.515 136 L N 2.826 124.040 121.223 -0.015 0.000 2.317 136 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 136 L C 0.517 177.371 176.870 -0.027 0.000 1.024 136 L CA -0.624 54.206 54.840 -0.015 0.000 0.810 136 L CB 1.836 43.866 42.059 -0.047 0.000 1.240 136 L HN 0.919 nan 8.230 nan 0.000 0.427 137 S N -0.003 115.684 115.700 -0.022 0.000 2.421 137 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 137 S C 0.609 175.084 174.600 -0.208 0.000 1.035 137 S CA 0.601 58.744 58.200 -0.095 0.000 0.953 137 S CB 0.317 63.482 63.200 -0.059 0.000 0.810 137 S HN 0.827 nan 8.310 nan 0.000 0.497 138 T N 0.223 114.676 114.554 -0.169 0.000 2.693 138 T HA 0.508 4.858 4.350 -0.000 0.000 0.304 138 T C -2.047 172.581 174.700 -0.120 0.000 1.471 138 T CA -0.327 61.665 62.100 -0.181 0.000 0.993 138 T CB 1.309 70.023 68.868 -0.257 0.000 1.554 138 T HN 0.240 nan 8.240 nan 0.000 0.496 139 S N 1.749 117.369 115.700 -0.134 0.000 2.564 139 S HA 0.651 5.121 4.470 -0.000 0.000 0.274 139 S C -0.681 173.848 174.600 -0.118 0.000 1.124 139 S CA -1.033 57.104 58.200 -0.105 0.000 0.869 139 S CB 1.388 64.522 63.200 -0.109 0.000 1.105 139 S HN 1.022 nan 8.310 nan 0.000 0.472 140 N N 0.394 119.070 118.700 -0.040 0.000 2.424 140 N HA 0.117 4.857 4.740 -0.000 0.000 0.257 140 N C 0.081 175.596 175.510 0.009 0.000 1.250 140 N CA -0.395 52.670 53.050 0.026 0.000 0.946 140 N CB -0.059 38.496 38.487 0.112 0.000 1.175 140 N HN 0.727 nan 8.380 nan 0.000 0.477 141 Y N -1.002 119.348 120.300 0.084 0.000 2.421 141 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 141 Y C 2.381 178.365 175.900 0.139 0.000 1.136 141 Y CA 1.388 59.539 58.100 0.086 0.000 1.255 141 Y CB -0.382 38.118 38.460 0.067 0.000 0.991 141 Y HN 0.759 nan 8.280 nan 0.000 0.552 142 H N -0.410 118.780 119.070 0.200 0.000 2.333 142 H HA -0.026 4.530 4.556 -0.000 0.000 0.302 142 H C 2.197 177.702 175.328 0.294 0.000 1.075 142 H CA 1.406 57.571 56.048 0.196 0.000 1.348 142 H CB -0.272 29.602 29.762 0.187 0.000 1.393 142 H HN 0.165 nan 8.280 nan 0.000 0.509 143 A N 0.584 123.474 122.820 0.117 0.000 2.019 143 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 143 A C 2.408 180.068 177.584 0.127 0.000 1.164 143 A CA 1.407 53.501 52.037 0.094 0.000 0.644 143 A CB -0.433 18.552 19.000 -0.027 0.000 0.805 143 A HN 0.444 nan 8.150 nan 0.000 0.449 144 R N -0.996 119.526 120.500 0.037 0.000 2.096 144 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 144 R C 2.660 178.966 176.300 0.011 0.000 1.127 144 R CA 1.655 57.743 56.100 -0.020 0.000 0.968 144 R CB -0.418 29.803 30.300 -0.131 0.000 0.861 144 R HN 0.530 nan 8.270 nan 0.000 0.440 145 R N 0.244 120.746 120.500 0.004 0.000 2.193 145 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 145 R C 1.822 178.004 176.300 -0.196 0.000 1.110 145 R CA 1.694 57.735 56.100 -0.099 0.000 0.988 145 R CB -1.460 28.753 30.300 -0.145 0.000 0.871 145 R HN 0.241 nan 8.270 nan 0.000 0.458 146 F N -0.647 119.233 119.950 -0.117 0.000 2.558 146 F HA 0.281 4.808 4.527 -0.000 0.000 0.298 146 F C 2.110 177.862 175.800 -0.080 0.000 1.119 146 F CA 1.144 59.082 58.000 -0.103 0.000 1.451 146 F CB 0.485 39.407 39.000 -0.131 0.000 1.091 146 F HN 0.444 nan 8.300 nan 0.000 0.563 147 G N -0.261 108.593 108.800 0.091 0.000 2.184 147 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.206 147 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.206 147 G C -0.166 174.733 174.900 -0.002 0.000 0.995 147 G CA -0.175 44.941 45.100 0.027 0.000 0.651 147 G HN 0.069 nan 8.290 nan 0.000 0.511 148 V N 2.835 122.752 119.914 0.006 0.000 2.432 148 V HA 0.668 4.788 4.120 -0.000 0.000 0.271 148 V C 0.787 176.840 176.094 -0.069 0.000 1.046 148 V CA 0.461 62.733 62.300 -0.047 0.000 0.945 148 V CB 0.910 32.694 31.823 -0.066 0.000 0.992 148 V HN 0.754 nan 8.190 nan 0.000 0.471 149 R N 4.631 125.082 120.500 -0.082 0.000 2.869 149 R HA 0.882 5.222 4.340 -0.000 0.000 0.263 149 R C -0.265 175.979 176.300 -0.094 0.000 1.066 149 R CA -0.539 55.504 56.100 -0.095 0.000 0.960 149 R CB 1.652 31.903 30.300 -0.082 0.000 1.221 149 R HN 0.576 nan 8.270 nan 0.000 0.474 150 A N 0.463 123.222 122.820 -0.100 0.000 2.409 150 A HA 0.423 4.743 4.320 -0.000 0.000 0.246 150 A C 0.969 178.511 177.584 -0.069 0.000 1.099 150 A CA 0.487 52.468 52.037 -0.092 0.000 0.789 150 A CB -0.604 18.331 19.000 -0.108 0.000 1.053 150 A HN 1.858 nan 8.150 nan 0.000 0.503 151 A N -1.240 121.547 122.820 -0.055 0.000 2.816 151 A HA -0.191 4.129 4.320 -0.000 0.000 0.270 151 A C 0.357 177.906 177.584 -0.058 0.000 1.413 151 A CA 1.858 53.872 52.037 -0.038 0.000 0.866 151 A CB -2.225 16.763 19.000 -0.019 0.000 1.032 151 A HN 1.334 nan 8.150 nan 0.000 0.642 152 M N -0.453 119.096 119.600 -0.084 0.000 2.383 152 M HA 0.529 5.009 4.480 -0.000 0.000 0.325 152 M C -2.739 173.463 176.300 -0.164 0.000 1.092 152 M CA -2.370 52.851 55.300 -0.131 0.000 0.961 152 M CB 1.758 34.281 32.600 -0.129 0.000 1.672 152 M HN -0.024 nan 8.290 nan 0.000 0.438 153 P HA 0.092 nan 4.420 nan 0.000 0.269 153 P C 0.279 177.413 177.300 -0.276 0.000 1.209 153 P CA 0.194 63.132 63.100 -0.270 0.000 0.776 153 P CB 0.586 31.952 31.700 -0.556 0.000 0.876 154 G N 2.430 111.180 108.800 -0.084 0.000 2.421 154 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 154 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 154 G C 1.179 176.053 174.900 -0.044 0.000 1.171 154 G CA 0.705 45.783 45.100 -0.036 0.000 0.775 154 G HN 0.612 nan 8.290 nan 0.000 0.543 155 F N 0.703 120.629 119.950 -0.040 0.000 2.134 155 F HA 0.060 4.587 4.527 -0.000 0.000 0.299 155 F C 2.339 178.114 175.800 -0.042 0.000 1.097 155 F CA 0.821 58.798 58.000 -0.037 0.000 1.264 155 F CB -0.531 38.450 39.000 -0.031 0.000 1.001 155 F HN 0.096 nan 8.300 nan 0.000 0.479 156 I N 1.224 121.181 120.570 -1.021 0.000 2.226 156 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 156 I C 2.919 178.861 176.117 -0.292 0.000 1.100 156 I CA 1.256 62.169 61.300 -0.645 0.000 1.374 156 I CB -0.876 36.680 38.000 -0.740 0.000 1.057 156 I HN 0.379 nan 8.210 nan 0.000 0.413 157 A N 1.109 123.776 122.820 -0.255 0.000 1.902 157 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 157 A C 2.619 180.126 177.584 -0.129 0.000 1.181 157 A CA 2.474 54.416 52.037 -0.159 0.000 0.623 157 A CB -0.893 18.023 19.000 -0.139 0.000 0.818 157 A HN 0.391 nan 8.150 nan 0.000 0.443 158 K N 0.038 120.379 120.400 -0.098 0.000 2.147 158 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 158 K C 2.144 178.707 176.600 -0.061 0.000 1.049 158 K CA 1.632 57.874 56.287 -0.075 0.000 0.936 158 K CB -0.642 31.846 32.500 -0.021 0.000 0.722 158 K HN 0.605 nan 8.250 nan 0.000 0.446 159 R N -0.695 119.779 120.500 -0.043 0.000 2.115 159 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 159 R C 1.463 177.744 176.300 -0.033 0.000 1.111 159 R CA 0.923 57.010 56.100 -0.022 0.000 0.976 159 R CB -0.149 30.148 30.300 -0.006 0.000 0.870 159 R HN 0.317 nan 8.270 nan 0.000 0.445 160 L N -0.938 120.252 121.223 -0.055 0.000 2.558 160 L HA 0.074 4.414 4.340 -0.000 0.000 0.225 160 L C 0.129 176.983 176.870 -0.027 0.000 1.128 160 L CA 0.625 55.451 54.840 -0.024 0.000 0.868 160 L CB 0.334 42.377 42.059 -0.026 0.000 1.006 160 L HN 0.243 nan 8.230 nan 0.000 0.454 161 C N -0.880 118.342 119.300 -0.129 0.000 3.096 161 C HA 0.278 4.738 4.460 -0.000 0.000 0.329 161 C C -1.476 173.359 174.990 -0.259 0.000 0.912 161 C CA -0.868 57.952 59.018 -0.329 0.000 1.168 161 C CB 0.063 27.392 27.740 -0.684 0.000 1.627 161 C HN 0.130 nan 8.230 nan 0.000 0.622 162 P HA -0.103 nan 4.420 nan 0.000 0.216 162 P C 1.399 178.635 177.300 -0.107 0.000 1.157 162 P CA 2.424 65.471 63.100 -0.088 0.000 0.880 162 P CB 0.197 31.873 31.700 -0.040 0.000 0.791 163 Q N -0.294 119.425 119.800 -0.136 0.000 2.380 163 Q HA 0.261 4.601 4.340 -0.000 0.000 0.254 163 Q C 0.206 176.117 176.000 -0.148 0.000 0.927 163 Q CA 0.142 55.882 55.803 -0.105 0.000 0.950 163 Q CB -1.738 26.968 28.738 -0.052 0.000 1.206 163 Q HN 0.293 nan 8.270 nan 0.000 0.414 164 L N -0.657 120.468 121.223 -0.164 0.000 2.346 164 L HA 0.763 5.103 4.340 -0.000 0.000 0.276 164 L C -0.418 176.404 176.870 -0.078 0.000 1.006 164 L CA -1.177 53.569 54.840 -0.156 0.000 0.817 164 L CB 2.149 44.065 42.059 -0.239 0.000 1.272 164 L HN 0.385 nan 8.230 nan 0.000 0.421 165 I N 5.753 126.294 120.570 -0.047 0.000 2.330 165 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 165 I C -0.915 175.197 176.117 -0.009 0.000 1.001 165 I CA -0.511 60.779 61.300 -0.017 0.000 1.193 165 I CB 0.750 38.750 38.000 0.000 0.000 1.345 165 I HN 0.605 nan 8.210 nan 0.000 0.461 166 I N 8.410 128.979 120.570 -0.002 0.000 2.308 166 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 166 I C -0.072 176.062 176.117 0.027 0.000 1.078 166 I CA -0.560 60.747 61.300 0.011 0.000 1.292 166 I CB 0.992 39.001 38.000 0.015 0.000 1.423 166 I HN 0.343 nan 8.210 nan 0.000 0.493 167 V N 9.054 128.990 119.914 0.036 0.000 2.583 167 V HA 0.182 4.302 4.120 -0.000 0.000 0.287 167 V C -2.002 174.134 176.094 0.070 0.000 1.051 167 V CA -1.385 60.945 62.300 0.049 0.000 1.010 167 V CB 0.858 32.715 31.823 0.056 0.000 0.988 167 V HN 0.558 nan 8.190 nan 0.000 0.478 168 P HA 0.294 nan 4.420 nan 0.000 0.278 168 P C -2.524 174.845 177.300 0.115 0.000 1.238 168 P CA -1.391 61.763 63.100 0.088 0.000 0.794 168 P CB 0.068 31.805 31.700 0.062 0.000 0.955 169 P HA 0.133 nan 4.420 nan 0.000 0.274 169 P C -0.512 176.853 177.300 0.108 0.000 1.246 169 P CA 0.081 63.319 63.100 0.231 0.000 0.795 169 P CB 0.597 32.521 31.700 0.373 0.000 1.006 170 N N 0.809 119.407 118.700 -0.171 0.000 2.697 170 N HA 0.139 4.879 4.740 -0.000 0.000 0.253 170 N C 0.326 175.417 175.510 -0.698 0.000 1.604 170 N CA -0.264 52.551 53.050 -0.392 0.000 0.772 170 N CB -0.051 38.169 38.487 -0.445 0.000 1.267 170 N HN 0.084 nan 8.380 nan 0.000 0.510 171 F N 0.410 120.071 119.950 -0.482 0.000 2.287 171 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 171 F C 1.908 177.530 175.800 -0.297 0.000 1.069 171 F CA 1.051 58.855 58.000 -0.327 0.000 1.372 171 F CB 0.190 39.130 39.000 -0.100 0.000 1.056 171 F HN 0.278 nan 8.300 nan 0.000 0.523 172 D N -0.117 120.208 120.400 -0.125 0.000 2.120 172 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 172 D C 2.172 178.368 176.300 -0.172 0.000 0.972 172 D CA 0.900 54.840 54.000 -0.100 0.000 0.837 172 D CB -0.251 40.503 40.800 -0.076 0.000 0.989 172 D HN 0.248 nan 8.370 nan 0.000 0.469 173 K N 0.306 120.507 120.400 -0.332 0.000 2.044 173 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 173 K C 2.368 178.837 176.600 -0.218 0.000 1.049 173 K CA 1.217 57.320 56.287 -0.307 0.000 0.927 173 K CB -0.463 31.788 32.500 -0.414 0.000 0.713 173 K HN 0.363 nan 8.250 nan 0.000 0.443 174 Y N 0.405 120.559 120.300 -0.244 0.000 2.163 174 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 174 Y C 3.094 178.977 175.900 -0.029 0.000 1.136 174 Y CA 0.890 58.804 58.100 -0.309 0.000 1.147 174 Y CB -0.717 37.359 38.460 -0.641 0.000 0.987 174 Y HN 0.131 nan 8.280 nan 0.000 0.509 175 R N 1.213 121.772 120.500 0.098 0.000 2.139 175 R HA -0.111 4.229 4.340 -0.000 0.000 0.243 175 R C 2.217 178.582 176.300 0.109 0.000 1.145 175 R CA 1.535 57.711 56.100 0.127 0.000 0.976 175 R CB -1.733 28.625 30.300 0.097 0.000 0.866 175 R HN 0.525 nan 8.270 nan 0.000 0.449 176 A N -0.009 122.849 122.820 0.064 0.000 1.872 176 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 176 A C 2.521 180.160 177.584 0.091 0.000 1.187 176 A CA 1.485 53.556 52.037 0.056 0.000 0.614 176 A CB -0.303 18.704 19.000 0.012 0.000 0.826 176 A HN 0.337 nan 8.150 nan 0.000 0.442 177 V N -0.270 119.722 119.914 0.130 0.000 2.667 177 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 177 V C 2.735 178.964 176.094 0.225 0.000 1.065 177 V CA 1.966 64.373 62.300 0.177 0.000 1.083 177 V CB -0.350 31.605 31.823 0.221 0.000 0.692 177 V HN 0.656 nan 8.190 nan 0.000 0.468 178 S N 0.465 116.332 115.700 0.277 0.000 2.348 178 S HA -0.257 4.213 4.470 -0.000 0.000 0.221 178 S C 2.382 177.060 174.600 0.129 0.000 1.033 178 S CA 2.300 60.624 58.200 0.207 0.000 1.010 178 S CB -0.293 63.044 63.200 0.227 0.000 0.891 178 S HN 0.650 nan 8.310 nan 0.000 0.442 179 K N 0.811 121.282 120.400 0.119 0.000 2.063 179 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 179 K C 1.838 178.475 176.600 0.062 0.000 1.048 179 K CA 2.000 58.341 56.287 0.091 0.000 0.928 179 K CB -1.243 31.302 32.500 0.077 0.000 0.713 179 K HN 0.750 nan 8.250 nan 0.000 0.442 180 E N -0.217 120.018 120.200 0.059 0.000 2.150 180 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 180 E C 2.071 178.677 176.600 0.010 0.000 0.985 180 E CA 1.132 57.553 56.400 0.034 0.000 0.814 180 E CB -0.038 29.687 29.700 0.041 0.000 0.752 180 E HN 0.357 nan 8.360 nan 0.000 0.466 181 V N 1.018 120.941 119.914 0.015 0.000 2.300 181 V HA -0.194 3.926 4.120 -0.000 0.000 0.241 181 V C 2.539 178.584 176.094 -0.083 0.000 1.034 181 V CA 2.151 64.431 62.300 -0.032 0.000 1.021 181 V CB -0.843 30.958 31.823 -0.037 0.000 0.662 181 V HN 0.301 nan 8.190 nan 0.000 0.458 182 K N 0.196 120.576 120.400 -0.033 0.000 2.242 182 K HA -0.326 3.994 4.320 -0.000 0.000 0.206 182 K C 1.865 178.290 176.600 -0.291 0.000 1.045 182 K CA 2.317 58.547 56.287 -0.094 0.000 0.930 182 K CB -0.815 31.845 32.500 0.267 0.000 0.726 182 K HN 0.613 nan 8.250 nan 0.000 0.462 183 E N 0.452 120.580 120.200 -0.121 0.000 2.012 183 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 183 E C 1.867 178.384 176.600 -0.139 0.000 1.007 183 E CA 1.748 58.088 56.400 -0.100 0.000 0.816 183 E CB -0.266 29.416 29.700 -0.031 0.000 0.762 183 E HN 0.608 nan 8.360 nan 0.000 0.451 184 I N 0.382 120.893 120.570 -0.099 0.000 2.163 184 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 184 I C 2.446 178.539 176.117 -0.040 0.000 1.085 184 I CA 1.024 62.303 61.300 -0.035 0.000 1.347 184 I CB -0.402 37.596 38.000 -0.002 0.000 1.044 184 I HN 0.165 nan 8.210 nan 0.000 0.408 185 L N 0.678 121.776 121.223 -0.208 0.000 2.051 185 L HA -0.291 4.049 4.340 -0.000 0.000 0.214 185 L C 2.817 179.504 176.870 -0.305 0.000 1.076 185 L CA 1.556 56.217 54.840 -0.299 0.000 0.758 185 L CB -0.816 40.833 42.059 -0.685 0.000 0.890 185 L HN 0.311 nan 8.230 nan 0.000 0.433 186 A N -0.366 122.172 122.820 -0.469 0.000 2.019 186 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 186 A C 1.789 179.303 177.584 -0.116 0.000 1.164 186 A CA 1.803 53.677 52.037 -0.272 0.000 0.644 186 A CB -0.478 18.412 19.000 -0.182 0.000 0.805 186 A HN 0.378 nan 8.150 nan 0.000 0.449 187 D N -0.847 119.447 120.400 -0.177 0.000 2.133 187 D HA -0.202 4.438 4.640 -0.000 0.000 0.192 187 D C 1.449 177.543 176.300 -0.343 0.000 1.001 187 D CA 1.887 55.705 54.000 -0.304 0.000 0.844 187 D CB -0.402 40.041 40.800 -0.595 0.000 0.944 187 D HN 0.712 nan 8.370 nan 0.000 0.447 188 Y N -0.766 119.439 120.300 -0.159 0.000 2.436 188 Y HA 0.193 4.743 4.550 -0.000 0.000 0.288 188 Y C 0.435 176.284 175.900 -0.086 0.000 1.112 188 Y CA 0.061 57.995 58.100 -0.277 0.000 1.220 188 Y CB 0.638 38.837 38.460 -0.435 0.000 1.073 188 Y HN -0.205 nan 8.280 nan 0.000 0.552 189 D N -0.427 120.044 120.400 0.119 0.000 2.478 189 D HA 0.190 4.830 4.640 -0.000 0.000 0.240 189 D C -2.360 174.060 176.300 0.200 0.000 1.364 189 D CA -2.371 51.720 54.000 0.151 0.000 0.987 189 D CB 1.772 42.676 40.800 0.174 0.000 1.328 189 D HN -0.195 nan 8.370 nan 0.000 0.584 190 P HA -0.092 nan 4.420 nan 0.000 0.221 190 P C 0.372 177.847 177.300 0.292 0.000 1.145 190 P CA 0.757 63.981 63.100 0.207 0.000 0.795 190 P CB 0.417 32.196 31.700 0.131 0.000 0.775 191 N N -0.021 118.813 118.700 0.223 0.000 2.268 191 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 191 N C 0.472 176.043 175.510 0.101 0.000 1.124 191 N CA -0.372 52.755 53.050 0.129 0.000 0.838 191 N CB -0.770 37.763 38.487 0.076 0.000 0.994 191 N HN 0.304 nan 8.380 nan 0.000 0.489 192 F N 0.690 120.662 119.950 0.037 0.000 2.604 192 F HA -0.029 4.498 4.527 -0.000 0.000 0.390 192 F C 0.670 176.489 175.800 0.031 0.000 1.053 192 F CA -0.465 57.556 58.000 0.035 0.000 1.256 192 F CB 0.339 39.353 39.000 0.022 0.000 0.996 192 F HN -0.129 nan 8.300 nan 0.000 0.564 193 M N 6.482 125.974 119.600 -0.180 0.000 2.206 193 M HA 0.519 4.999 4.480 -0.000 0.000 0.353 193 M C -0.348 175.812 176.300 -0.234 0.000 1.242 193 M CA -0.436 54.726 55.300 -0.231 0.000 1.179 193 M CB 0.278 32.877 32.600 -0.002 0.000 1.374 193 M HN 0.915 nan 8.290 nan 0.000 0.427 194 A N 5.540 128.121 122.820 -0.399 0.000 2.492 194 A HA 0.268 4.588 4.320 -0.000 0.000 0.254 194 A C 0.645 178.157 177.584 -0.120 0.000 1.091 194 A CA -0.182 51.731 52.037 -0.207 0.000 0.768 194 A CB 0.319 19.215 19.000 -0.173 0.000 1.028 194 A HN 0.973 nan 8.150 nan 0.000 0.498 195 M N 1.523 121.062 119.600 -0.102 0.000 2.691 195 M HA 0.108 4.588 4.480 -0.000 0.000 0.261 195 M C 0.963 177.245 176.300 -0.030 0.000 1.227 195 M CA 1.217 56.483 55.300 -0.058 0.000 1.197 195 M CB -1.022 31.529 32.600 -0.083 0.000 1.294 195 M HN 0.941 nan 8.290 nan 0.000 0.508 196 S N -1.207 114.466 115.700 -0.045 0.000 2.776 196 S HA 0.516 4.986 4.470 -0.000 0.000 0.292 196 S C 0.571 175.169 174.600 -0.002 0.000 1.187 196 S CA -0.829 57.370 58.200 -0.003 0.000 0.834 196 S CB 1.054 64.251 63.200 -0.005 0.000 1.199 196 S HN 0.216 nan 8.310 nan 0.000 0.514 197 L N 1.184 122.454 121.223 0.077 0.000 2.349 197 L HA -0.026 4.314 4.340 -0.000 0.000 0.220 197 L C 1.306 178.095 176.870 -0.135 0.000 1.130 197 L CA 1.929 56.855 54.840 0.143 0.000 0.791 197 L CB -0.604 41.719 42.059 0.440 0.000 0.918 197 L HN 0.883 nan 8.230 nan 0.000 0.444 198 D N -2.282 117.902 120.400 -0.359 0.000 2.525 198 D HA 0.052 4.692 4.640 -0.000 0.000 0.231 198 D C 0.236 176.280 176.300 -0.427 0.000 1.216 198 D CA -0.098 53.471 54.000 -0.717 0.000 0.813 198 D CB 0.576 40.689 40.800 -1.144 0.000 1.108 198 D HN 0.191 nan 8.370 nan 0.000 0.524 199 E N 0.272 120.291 120.200 -0.302 0.000 2.224 199 E HA 0.700 5.050 4.350 -0.000 0.000 0.265 199 E C -1.356 175.030 176.600 -0.357 0.000 0.878 199 E CA -0.739 55.437 56.400 -0.373 0.000 0.759 199 E CB 2.371 31.922 29.700 -0.248 0.000 1.164 199 E HN 0.280 nan 8.360 nan 0.000 0.414 200 A N 2.560 125.099 122.820 -0.468 0.000 2.556 200 A HA 0.679 4.999 4.320 -0.000 0.000 0.294 200 A C -1.908 175.449 177.584 -0.378 0.000 1.091 200 A CA -0.599 51.259 52.037 -0.298 0.000 0.704 200 A CB 0.860 19.889 19.000 0.048 0.000 1.300 200 A HN 0.510 nan 8.150 nan 0.000 0.406 201 Y N 0.097 120.390 120.300 -0.012 0.000 2.360 201 Y HA 0.643 5.193 4.550 -0.000 0.000 0.337 201 Y C -0.572 175.365 175.900 0.062 0.000 1.039 201 Y CA -0.884 57.234 58.100 0.031 0.000 1.109 201 Y CB 1.759 40.249 38.460 0.050 0.000 1.201 201 Y HN 0.427 nan 8.280 nan 0.000 0.458 202 L N 2.793 124.154 121.223 0.230 0.000 2.381 202 L HA 0.337 4.677 4.340 -0.000 0.000 0.274 202 L C -0.054 176.885 176.870 0.115 0.000 0.988 202 L CA -0.959 53.981 54.840 0.166 0.000 0.824 202 L CB 1.718 43.838 42.059 0.101 0.000 1.263 202 L HN 0.605 nan 8.230 nan 0.000 0.410 203 N N 3.805 122.564 118.700 0.099 0.000 2.555 203 N HA 0.196 4.936 4.740 -0.000 0.000 0.244 203 N C 0.647 176.202 175.510 0.074 0.000 1.114 203 N CA -0.269 52.821 53.050 0.068 0.000 0.963 203 N CB 0.527 39.048 38.487 0.057 0.000 1.276 203 N HN 0.787 nan 8.380 nan 0.000 0.510 204 I N 1.272 121.877 120.570 0.058 0.000 3.780 204 I HA 0.142 4.312 4.170 -0.000 0.000 0.312 204 I C 0.749 176.910 176.117 0.073 0.000 1.377 204 I CA -0.400 60.943 61.300 0.071 0.000 1.224 204 I CB -0.057 37.957 38.000 0.024 0.000 1.110 204 I HN 0.239 nan 8.210 nan 0.000 0.418 205 T N 1.202 115.791 114.554 0.057 0.000 2.643 205 T HA -0.170 4.180 4.350 -0.000 0.000 0.264 205 T C 2.358 177.085 174.700 0.045 0.000 1.045 205 T CA 2.579 64.704 62.100 0.041 0.000 1.155 205 T CB -0.267 68.622 68.868 0.035 0.000 0.863 205 T HN 0.679 nan 8.240 nan 0.000 0.420 206 K N 1.217 121.654 120.400 0.063 0.000 2.001 206 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 206 K C 1.949 178.580 176.600 0.051 0.000 1.050 206 K CA 2.590 58.912 56.287 0.059 0.000 0.934 206 K CB -1.746 30.801 32.500 0.078 0.000 0.718 206 K HN 0.794 nan 8.250 nan 0.000 0.443 207 H N 0.039 119.104 119.070 -0.009 0.000 2.352 207 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 207 H C 2.139 177.373 175.328 -0.156 0.000 1.097 207 H CA 1.921 57.928 56.048 -0.070 0.000 1.311 207 H CB -0.117 29.630 29.762 -0.026 0.000 1.377 207 H HN 0.327 nan 8.280 nan 0.000 0.504 208 L N 0.205 121.418 121.223 -0.018 0.000 2.012 208 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 208 L C 2.660 179.435 176.870 -0.159 0.000 1.073 208 L CA 1.919 56.702 54.840 -0.095 0.000 0.748 208 L CB -0.472 41.579 42.059 -0.014 0.000 0.891 208 L HN 0.475 nan 8.230 nan 0.000 0.431 209 E N -0.079 120.067 120.200 -0.090 0.000 2.114 209 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 209 E C 1.946 178.497 176.600 -0.081 0.000 1.008 209 E CA 1.912 58.275 56.400 -0.061 0.000 0.810 209 E CB 0.110 29.798 29.700 -0.020 0.000 0.739 209 E HN 0.542 nan 8.360 nan 0.000 0.456 210 E N -0.334 119.779 120.200 -0.146 0.000 2.051 210 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 210 E C 2.214 178.643 176.600 -0.284 0.000 0.979 210 E CA 0.011 56.348 56.400 -0.104 0.000 0.803 210 E CB -0.109 29.582 29.700 -0.016 0.000 0.761 210 E HN 0.043 nan 8.360 nan 0.000 0.451 211 R N 1.537 121.579 120.500 -0.765 0.000 2.198 211 R HA -0.276 4.064 4.340 -0.000 0.000 0.258 211 R C 2.333 178.479 176.300 -0.257 0.000 1.173 211 R CA 2.210 57.768 56.100 -0.902 0.000 0.991 211 R CB -0.333 29.539 30.300 -0.714 0.000 0.879 211 R HN 0.481 nan 8.270 nan 0.000 0.460 212 Q N -0.612 119.114 119.800 -0.124 0.000 2.061 212 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 212 Q C 1.403 177.446 176.000 0.072 0.000 0.984 212 Q CA 2.071 57.869 55.803 -0.009 0.000 0.846 212 Q CB -0.540 28.190 28.738 -0.012 0.000 0.902 212 Q HN 0.476 nan 8.270 nan 0.000 0.421 213 N N -0.432 118.338 118.700 0.116 0.000 2.270 213 N HA -0.076 4.663 4.740 -0.000 0.000 0.181 213 N C -0.549 175.095 175.510 0.223 0.000 1.016 213 N CA 0.011 53.150 53.050 0.149 0.000 0.870 213 N CB -0.096 38.475 38.487 0.141 0.000 0.979 213 N HN 0.172 nan 8.380 nan 0.000 0.431 214 W N 3.524 124.810 121.300 -0.023 0.000 2.551 214 W HA -0.011 4.649 4.660 -0.000 0.000 0.336 214 W C -1.699 174.819 176.519 -0.002 0.000 1.158 214 W CA -1.250 56.087 57.345 -0.013 0.000 1.258 214 W CB -0.492 28.962 29.460 -0.010 0.000 1.157 214 W HN 0.123 nan 8.180 nan 0.000 0.562 215 P HA 0.034 nan 4.420 nan 0.000 0.274 215 P C 0.212 177.560 177.300 0.081 0.000 1.260 215 P CA 0.117 63.252 63.100 0.057 0.000 0.793 215 P CB 0.937 32.627 31.700 -0.017 0.000 1.048 216 E N 0.096 120.323 120.200 0.045 0.000 2.047 216 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 216 E C 2.162 178.769 176.600 0.011 0.000 0.987 216 E CA 1.999 58.422 56.400 0.038 0.000 0.799 216 E CB -1.035 28.672 29.700 0.012 0.000 0.752 216 E HN 0.647 nan 8.360 nan 0.000 0.449 217 D N 1.868 122.256 120.400 -0.020 0.000 2.149 217 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 217 D C 1.777 178.038 176.300 -0.065 0.000 1.001 217 D CA 1.460 55.428 54.000 -0.053 0.000 0.849 217 D CB -0.698 40.064 40.800 -0.063 0.000 0.939 217 D HN -0.061 nan 8.370 nan 0.000 0.449 218 K N -0.734 119.645 120.400 -0.036 0.000 2.616 218 K HA 0.026 4.346 4.320 -0.000 0.000 0.192 218 K C 0.389 177.091 176.600 0.170 0.000 1.031 218 K CA 0.350 56.625 56.287 -0.019 0.000 1.004 218 K CB 0.171 32.592 32.500 -0.132 0.000 0.810 218 K HN 0.278 nan 8.250 nan 0.000 0.497 219 R N -0.339 120.234 120.500 0.123 0.000 2.718 219 R HA 0.150 4.490 4.340 -0.000 0.000 0.307 219 R C -0.313 175.982 176.300 -0.008 0.000 1.244 219 R CA -0.108 56.120 56.100 0.214 0.000 1.348 219 R CB 1.169 31.677 30.300 0.346 0.000 1.304 219 R HN -0.061 nan 8.270 nan 0.000 0.663 220 R N 0.765 121.112 120.500 -0.256 0.000 2.514 220 R HA 0.757 5.097 4.340 -0.000 0.000 0.301 220 R C -1.269 174.721 176.300 -0.516 0.000 0.962 220 R CA -0.394 55.541 56.100 -0.276 0.000 0.882 220 R CB 0.623 30.812 30.300 -0.185 0.000 1.143 220 R HN 0.272 nan 8.270 nan 0.000 0.452 221 Y N 0.291 120.582 120.300 -0.016 0.000 2.504 221 Y HA 0.614 5.164 4.550 -0.000 0.000 0.344 221 Y C 1.222 177.199 175.900 0.129 0.000 1.023 221 Y CA -0.524 57.656 58.100 0.133 0.000 1.020 221 Y CB 1.870 40.537 38.460 0.346 0.000 1.282 221 Y HN 0.650 nan 8.280 nan 0.000 0.454 222 F N 1.149 121.289 119.950 0.318 0.000 2.183 222 F HA 0.734 5.261 4.527 -0.000 0.000 0.270 222 F C 0.884 176.841 175.800 0.261 0.000 1.251 222 F CA 1.204 59.326 58.000 0.204 0.000 1.078 222 F CB -0.713 38.367 39.000 0.134 0.000 0.998 222 F HN 0.882 nan 8.300 nan 0.000 0.526 285 V N 3.420 123.076 119.914 -0.431 0.000 2.617 285 V HA 0.965 5.085 4.120 -0.000 0.000 0.298 285 V C -0.517 175.334 176.094 -0.404 0.000 1.048 285 V CA -1.209 60.893 62.300 -0.329 0.000 0.964 285 V CB 1.569 33.315 31.823 -0.128 0.000 1.004 285 V HN 0.782 nan 8.190 nan 0.000 0.466 286 F N 2.916 122.908 119.950 0.070 0.000 2.507 286 F HA 0.627 5.154 4.527 -0.000 0.000 0.325 286 F C 1.083 176.917 175.800 0.056 0.000 1.116 286 F CA -0.657 57.374 58.000 0.053 0.000 0.930 286 F CB 2.106 41.159 39.000 0.087 0.000 1.146 286 F HN 0.813 nan 8.300 nan 0.000 0.447 287 G N 0.924 109.860 108.800 0.227 0.000 2.466 287 G HA2 0.178 4.138 3.960 -0.000 0.000 0.279 287 G HA3 0.178 4.138 3.960 -0.000 0.000 0.279 287 G C 0.630 175.589 174.900 0.098 0.000 1.410 287 G CA -0.127 45.046 45.100 0.122 0.000 1.065 287 G HN 0.620 nan 8.290 nan 0.000 0.547 288 T N -0.101 114.482 114.554 0.049 0.000 3.014 288 T HA 0.158 4.507 4.350 -0.000 0.000 0.250 288 T C 1.576 176.270 174.700 -0.012 0.000 1.060 288 T CA 0.548 62.655 62.100 0.011 0.000 1.040 288 T CB -0.113 68.757 68.868 0.003 0.000 0.971 288 T HN 0.733 nan 8.240 nan 0.000 0.497 289 S N 1.346 117.042 115.700 -0.006 0.000 2.576 289 S HA 0.475 4.945 4.470 -0.000 0.000 0.272 289 S C 1.812 176.391 174.600 -0.035 0.000 1.352 289 S CA -0.120 58.066 58.200 -0.023 0.000 1.021 289 S CB 0.962 64.147 63.200 -0.024 0.000 0.887 289 S HN 0.276 nan 8.310 nan 0.000 0.542 290 A N 1.170 123.963 122.820 -0.044 0.000 1.908 290 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 290 A C 2.264 179.798 177.584 -0.083 0.000 1.181 290 A CA 1.989 53.991 52.037 -0.058 0.000 0.627 290 A CB -1.280 17.688 19.000 -0.054 0.000 0.818 290 A HN 0.891 nan 8.150 nan 0.000 0.445 291 Q N -0.698 119.055 119.800 -0.078 0.000 2.197 291 Q HA -0.186 4.154 4.340 -0.000 0.000 0.207 291 Q C 1.942 177.886 176.000 -0.093 0.000 0.984 291 Q CA 1.887 57.637 55.803 -0.087 0.000 0.869 291 Q CB -0.064 28.628 28.738 -0.076 0.000 0.906 291 Q HN 0.659 nan 8.270 nan 0.000 0.426 292 E N -0.971 119.185 120.200 -0.072 0.000 2.060 292 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 292 E C 2.049 178.542 176.600 -0.178 0.000 0.974 292 E CA 1.034 57.392 56.400 -0.071 0.000 0.808 292 E CB -0.651 29.067 29.700 0.030 0.000 0.768 292 E HN 0.332 nan 8.360 nan 0.000 0.453 293 V N 0.804 120.637 119.914 -0.134 0.000 2.380 293 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 293 V C 2.116 177.979 176.094 -0.385 0.000 1.063 293 V CA 1.839 64.016 62.300 -0.204 0.000 1.055 293 V CB -0.403 31.362 31.823 -0.097 0.000 0.657 293 V HN 0.063 nan 8.190 nan 0.000 0.455 294 V N -0.375 119.354 119.914 -0.307 0.000 3.041 294 V HA -0.090 4.030 4.120 -0.000 0.000 0.260 294 V C 2.593 178.502 176.094 -0.308 0.000 1.105 294 V CA 1.961 64.076 62.300 -0.309 0.000 1.125 294 V CB -0.614 31.088 31.823 -0.201 0.000 0.730 294 V HN 0.573 nan 8.190 nan 0.000 0.479 295 K N -0.100 120.095 120.400 -0.341 0.000 2.155 295 K HA -0.181 4.139 4.320 -0.000 0.000 0.203 295 K C 2.147 178.354 176.600 -0.654 0.000 1.052 295 K CA 1.402 57.463 56.287 -0.376 0.000 0.948 295 K CB 0.042 32.362 32.500 -0.300 0.000 0.728 295 K HN 0.546 nan 8.250 nan 0.000 0.448 296 E N 1.154 120.769 120.200 -0.975 0.000 2.046 296 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 296 E C 1.949 178.258 176.600 -0.485 0.000 0.982 296 E CA 0.810 56.539 56.400 -1.118 0.000 0.800 296 E CB 0.054 29.256 29.700 -0.830 0.000 0.756 296 E HN 0.179 nan 8.360 nan 0.000 0.449 297 I N 0.741 121.011 120.570 -0.500 0.000 2.163 297 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 297 I C 2.556 178.530 176.117 -0.239 0.000 1.085 297 I CA 1.396 62.442 61.300 -0.423 0.000 1.347 297 I CB -0.357 37.305 38.000 -0.564 0.000 1.044 297 I HN 0.114 nan 8.210 nan 0.000 0.408 298 R N -0.279 120.096 120.500 -0.208 0.000 2.189 298 R HA -0.151 4.189 4.340 -0.000 0.000 0.223 298 R C 2.151 178.429 176.300 -0.036 0.000 1.092 298 R CA 1.188 57.219 56.100 -0.114 0.000 0.989 298 R CB -0.283 29.961 30.300 -0.092 0.000 0.876 298 R HN 0.309 nan 8.270 nan 0.000 0.457 299 F N 1.222 121.063 119.950 -0.182 0.000 2.147 299 F HA 0.021 4.548 4.527 -0.000 0.000 0.291 299 F C 2.026 177.777 175.800 -0.081 0.000 1.093 299 F CA 1.024 58.972 58.000 -0.086 0.000 1.263 299 F CB 0.068 39.063 39.000 -0.010 0.000 1.036 299 F HN -0.280 nan 8.300 nan 0.000 0.481 300 R N 0.296 120.760 120.500 -0.060 0.000 2.249 300 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 300 R C 2.132 178.349 176.300 -0.140 0.000 1.121 300 R CA 1.413 57.427 56.100 -0.143 0.000 0.997 300 R CB -0.364 29.880 30.300 -0.092 0.000 0.867 300 R HN 0.420 nan 8.270 nan 0.000 0.465 301 I N -0.003 120.489 120.570 -0.130 0.000 2.296 301 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 301 I C 2.493 178.546 176.117 -0.108 0.000 1.087 301 I CA 0.961 62.201 61.300 -0.101 0.000 1.393 301 I CB -0.165 37.779 38.000 -0.093 0.000 1.093 301 I HN 0.106 nan 8.210 nan 0.000 0.421 302 E N 1.536 121.654 120.200 -0.137 0.000 2.058 302 E HA -0.348 4.002 4.350 -0.000 0.000 0.194 302 E C 2.077 178.560 176.600 -0.195 0.000 0.997 302 E CA 2.075 58.392 56.400 -0.139 0.000 0.801 302 E CB -0.362 29.265 29.700 -0.121 0.000 0.746 302 E HN 0.465 nan 8.360 nan 0.000 0.450 303 Q N 0.208 119.799 119.800 -0.348 0.000 2.119 303 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 303 Q C 2.080 177.980 176.000 -0.167 0.000 0.972 303 Q CA 1.714 57.312 55.803 -0.343 0.000 0.847 303 Q CB -0.136 28.250 28.738 -0.588 0.000 0.903 303 Q HN 0.272 nan 8.270 nan 0.000 0.433 304 K N -0.715 119.608 120.400 -0.129 0.000 2.418 304 K HA -0.044 4.276 4.320 -0.000 0.000 0.195 304 K C 0.976 177.556 176.600 -0.033 0.000 1.035 304 K CA 1.498 57.749 56.287 -0.060 0.000 1.003 304 K CB 0.336 32.812 32.500 -0.041 0.000 0.793 304 K HN 0.386 nan 8.250 nan 0.000 0.494 305 T N -5.209 109.323 114.554 -0.037 0.000 3.191 305 T HA 0.081 4.431 4.350 -0.000 0.000 0.285 305 T C 0.559 175.259 174.700 0.001 0.000 0.887 305 T CA 0.568 62.666 62.100 -0.003 0.000 0.881 305 T CB 0.367 69.250 68.868 0.024 0.000 1.217 305 T HN 0.126 nan 8.240 nan 0.000 0.591 306 T N 1.390 115.931 114.554 -0.022 0.000 8.650 306 T HA -0.154 4.196 4.350 -0.000 0.000 0.321 306 T C 0.054 174.757 174.700 0.006 0.000 2.013 306 T CA 1.330 63.423 62.100 -0.011 0.000 3.192 306 T CB -1.823 67.048 68.868 0.006 0.000 2.061 306 T HN 0.572 nan 8.240 nan 0.000 1.035 307 L N 2.865 124.103 121.223 0.024 0.000 2.331 307 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 307 L C 1.240 178.124 176.870 0.023 0.000 1.106 307 L CA -0.302 54.571 54.840 0.054 0.000 0.824 307 L CB 1.079 43.209 42.059 0.119 0.000 1.142 307 L HN 0.405 nan 8.230 nan 0.000 0.443 308 T N 0.560 115.130 114.554 0.027 0.000 2.922 308 T HA 0.735 5.085 4.350 -0.000 0.000 0.285 308 T C -0.301 174.397 174.700 -0.003 0.000 1.005 308 T CA -0.672 61.429 62.100 0.001 0.000 1.061 308 T CB 1.931 70.796 68.868 -0.004 0.000 1.007 308 T HN 0.724 nan 8.240 nan 0.000 0.502 309 A N 2.144 124.947 122.820 -0.028 0.000 2.408 309 A HA 0.675 4.995 4.320 -0.000 0.000 0.295 309 A C -0.026 177.531 177.584 -0.046 0.000 1.040 309 A CA -0.870 51.139 52.037 -0.047 0.000 0.707 309 A CB 1.593 20.545 19.000 -0.081 0.000 1.235 309 A HN 0.839 nan 8.150 nan 0.000 0.418 310 S N 0.146 115.827 115.700 -0.031 0.000 2.672 310 S HA 0.889 5.359 4.470 -0.000 0.000 0.276 310 S C 0.227 174.820 174.600 -0.012 0.000 1.207 310 S CA 0.174 58.366 58.200 -0.012 0.000 1.002 310 S CB 1.566 64.774 63.200 0.015 0.000 0.998 310 S HN 1.877 nan 8.310 nan 0.000 0.542 311 A N 0.230 123.057 122.820 0.012 0.000 2.612 311 A HA 0.810 5.130 4.320 -0.000 0.000 0.293 311 A C -0.583 177.038 177.584 0.062 0.000 1.075 311 A CA -0.469 51.580 52.037 0.020 0.000 0.680 311 A CB 1.318 20.290 19.000 -0.047 0.000 1.279 311 A HN 1.018 nan 8.150 nan 0.000 0.411 312 G N -0.074 108.779 108.800 0.088 0.000 2.617 312 G HA2 0.633 4.593 3.960 -0.000 0.000 0.306 312 G HA3 0.633 4.593 3.960 -0.000 0.000 0.306 312 G C -1.323 173.614 174.900 0.062 0.000 1.360 312 G CA -0.442 44.715 45.100 0.094 0.000 0.983 312 G HN 0.674 nan 8.290 nan 0.000 0.496 313 I N 1.229 121.811 120.570 0.019 0.000 2.436 313 I HA 0.763 4.933 4.170 -0.000 0.000 0.289 313 I C 0.167 176.256 176.117 -0.047 0.000 1.010 313 I CA -0.492 60.797 61.300 -0.019 0.000 1.098 313 I CB 2.176 40.143 38.000 -0.055 0.000 1.266 313 I HN 0.771 nan 8.210 nan 0.000 0.434 314 A N 6.000 128.795 122.820 -0.042 0.000 2.583 314 A HA 0.600 4.920 4.320 -0.000 0.000 0.292 314 A C -2.597 174.960 177.584 -0.046 0.000 1.045 314 A CA -0.991 51.005 52.037 -0.069 0.000 0.672 314 A CB 0.770 19.704 19.000 -0.108 0.000 1.283 314 A HN 0.420 nan 8.150 nan 0.000 0.419 315 P HA -0.134 nan 4.420 nan 0.000 0.221 315 P C 0.150 177.433 177.300 -0.027 0.000 1.141 315 P CA 2.029 65.110 63.100 -0.031 0.000 0.794 315 P CB -0.070 31.613 31.700 -0.029 0.000 0.764 316 N N -5.457 113.221 118.700 -0.038 0.000 3.039 316 N HA 0.098 4.838 4.740 -0.000 0.000 0.257 316 N C 0.158 175.613 175.510 -0.092 0.000 1.497 316 N CA -0.487 52.531 53.050 -0.053 0.000 0.861 316 N CB 0.480 38.951 38.487 -0.027 0.000 1.479 316 N HN -0.424 nan 8.380 nan 0.000 0.547 317 T N -0.565 113.881 114.554 -0.179 0.000 2.942 317 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 317 T C 1.710 176.298 174.700 -0.186 0.000 1.062 317 T CA 0.818 62.687 62.100 -0.386 0.000 1.139 317 T CB -0.268 68.184 68.868 -0.694 0.000 0.883 317 T HN 0.453 nan 8.240 nan 0.000 0.468 318 M N 0.530 120.083 119.600 -0.078 0.000 2.059 318 M HA -0.013 4.467 4.480 -0.000 0.000 0.259 318 M C 2.102 178.417 176.300 0.026 0.000 1.072 318 M CA 1.676 56.980 55.300 0.006 0.000 1.117 318 M CB -0.693 31.923 32.600 0.028 0.000 1.320 318 M HN 0.319 nan 8.290 nan 0.000 0.408 319 L N 0.207 121.437 121.223 0.011 0.000 2.017 319 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 319 L C 2.770 179.619 176.870 -0.035 0.000 1.073 319 L CA 1.335 56.172 54.840 -0.006 0.000 0.745 319 L CB -1.212 40.812 42.059 -0.058 0.000 0.894 319 L HN 0.375 nan 8.230 nan 0.000 0.432 320 A N 0.202 123.019 122.820 -0.006 0.000 1.917 320 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 320 A C 2.406 180.036 177.584 0.076 0.000 1.182 320 A CA 2.232 54.302 52.037 0.055 0.000 0.633 320 A CB -0.532 18.549 19.000 0.135 0.000 0.819 320 A HN 0.356 nan 8.150 nan 0.000 0.448 321 K N -0.369 120.060 120.400 0.049 0.000 2.097 321 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 321 K C 1.749 178.269 176.600 -0.133 0.000 1.049 321 K CA 1.601 57.755 56.287 -0.221 0.000 0.933 321 K CB -0.239 32.152 32.500 -0.181 0.000 0.717 321 K HN 0.287 nan 8.250 nan 0.000 0.442 322 V N 0.648 120.558 119.914 -0.007 0.000 2.427 322 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 322 V C 2.424 178.562 176.094 0.073 0.000 1.051 322 V CA 1.631 63.971 62.300 0.066 0.000 1.048 322 V CB -0.628 31.317 31.823 0.205 0.000 0.666 322 V HN 0.487 nan 8.190 nan 0.000 0.456 323 C N 0.864 120.179 119.300 0.025 0.000 2.440 323 C HA -0.099 4.361 4.460 -0.000 0.000 0.278 323 C C 3.201 178.218 174.990 0.046 0.000 1.295 323 C CA 1.121 60.138 59.018 -0.002 0.000 1.738 323 C CB -1.209 26.546 27.740 0.026 0.000 1.987 323 C HN 0.727 nan 8.230 nan 0.000 0.492 324 S N 0.636 116.374 115.700 0.063 0.000 2.500 324 S HA -0.161 4.309 4.470 -0.000 0.000 0.239 324 S C 0.929 175.574 174.600 0.074 0.000 0.989 324 S CA 1.922 60.185 58.200 0.105 0.000 0.951 324 S CB -0.434 62.917 63.200 0.250 0.000 0.759 324 S HN 0.584 nan 8.310 nan 0.000 0.523 325 D N 0.733 121.155 120.400 0.036 0.000 2.423 325 D HA 0.215 4.854 4.640 -0.000 0.000 0.208 325 D C 1.659 177.967 176.300 0.013 0.000 1.068 325 D CA 0.290 54.309 54.000 0.032 0.000 0.860 325 D CB -0.019 40.792 40.800 0.018 0.000 0.992 325 D HN 0.437 nan 8.370 nan 0.000 0.504 326 K N 0.476 120.864 120.400 -0.020 0.000 2.103 326 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 326 K C 0.910 177.489 176.600 -0.035 0.000 1.048 326 K CA 1.350 57.588 56.287 -0.082 0.000 0.930 326 K CB 0.051 32.380 32.500 -0.285 0.000 0.716 326 K HN -0.000 nan 8.250 nan 0.000 0.444 327 N N -0.332 118.375 118.700 0.012 0.000 2.205 327 N HA 0.059 4.799 4.740 -0.000 0.000 0.201 327 N C -0.990 174.527 175.510 0.011 0.000 1.128 327 N CA -0.266 52.804 53.050 0.033 0.000 0.867 327 N CB 0.565 39.099 38.487 0.079 0.000 0.996 327 N HN 0.017 nan 8.380 nan 0.000 0.503 328 K N 2.109 122.521 120.400 0.020 0.000 2.527 328 K HA 0.042 4.362 4.320 -0.000 0.000 0.278 328 K C -2.426 174.138 176.600 -0.060 0.000 0.981 328 K CA -0.685 55.604 56.287 0.004 0.000 1.009 328 K CB 0.206 32.768 32.500 0.103 0.000 0.895 328 K HN 0.040 nan 8.250 nan 0.000 0.493 329 P HA 0.096 nan 4.420 nan 0.000 0.294 329 P C -0.772 176.410 177.300 -0.196 0.000 1.294 329 P CA -0.429 62.453 63.100 -0.363 0.000 0.827 329 P CB 0.740 31.838 31.700 -1.003 0.000 0.992 330 N N 0.798 119.432 118.700 -0.110 0.000 2.791 330 N HA -0.094 4.646 4.740 -0.000 0.000 0.250 330 N C -0.504 174.985 175.510 -0.036 0.000 1.082 330 N CA 0.357 53.370 53.050 -0.063 0.000 0.680 330 N CB -1.248 37.199 38.487 -0.066 0.000 0.918 330 N HN 0.816 nan 8.380 nan 0.000 0.555 331 G N 0.217 109.005 108.800 -0.019 0.000 2.682 331 G HA2 0.628 4.588 3.960 -0.000 0.000 0.290 331 G HA3 0.628 4.588 3.960 -0.000 0.000 0.290 331 G C -1.501 173.412 174.900 0.022 0.000 1.425 331 G CA -0.399 44.705 45.100 0.006 0.000 0.807 331 G HN 0.446 nan 8.290 nan 0.000 0.482 332 Q N -1.667 118.159 119.800 0.044 0.000 2.615 332 Q HA 0.806 5.146 4.340 -0.000 0.000 0.298 332 Q C -2.024 174.059 176.000 0.138 0.000 1.023 332 Q CA -1.200 54.638 55.803 0.059 0.000 0.768 332 Q CB 2.861 31.597 28.738 -0.004 0.000 1.500 332 Q HN 0.797 nan 8.270 nan 0.000 0.441 333 Y N -0.342 119.940 120.300 -0.030 0.000 2.521 333 Y HA 0.317 4.867 4.550 -0.000 0.000 0.328 333 Y C -1.960 173.898 175.900 -0.069 0.000 1.151 333 Y CA -0.387 57.693 58.100 -0.033 0.000 1.054 333 Y CB 2.332 40.788 38.460 -0.006 0.000 1.338 333 Y HN 0.904 nan 8.280 nan 0.000 0.453 334 Q N 5.453 124.943 119.800 -0.517 0.000 2.394 334 Q HA 0.672 5.012 4.340 -0.000 0.000 0.273 334 Q C -1.785 173.995 176.000 -0.367 0.000 1.089 334 Q CA -0.955 54.664 55.803 -0.306 0.000 0.812 334 Q CB 1.928 30.530 28.738 -0.226 0.000 1.353 334 Q HN 0.775 nan 8.270 nan 0.000 0.438 335 I N 4.291 124.739 120.570 -0.203 0.000 2.405 335 I HA 0.189 4.359 4.170 -0.000 0.000 0.280 335 I C -0.201 175.847 176.117 -0.116 0.000 1.027 335 I CA -0.754 60.447 61.300 -0.165 0.000 1.161 335 I CB 1.025 38.896 38.000 -0.215 0.000 1.300 335 I HN 0.512 nan 8.210 nan 0.000 0.463 336 L N 8.314 129.477 121.223 -0.100 0.000 2.516 336 L HA 0.051 4.391 4.340 -0.000 0.000 0.288 336 L C -1.638 175.201 176.870 -0.052 0.000 1.246 336 L CA -0.601 54.196 54.840 -0.072 0.000 0.844 336 L CB -0.178 41.845 42.059 -0.060 0.000 1.106 336 L HN 0.404 nan 8.230 nan 0.000 0.509 337 P HA 0.114 nan 4.420 nan 0.000 0.214 337 P C -0.965 176.320 177.300 -0.025 0.000 1.826 337 P CA -0.250 62.830 63.100 -0.033 0.000 0.977 337 P CB -0.179 31.504 31.700 -0.030 0.000 1.930 338 N N -0.028 118.659 118.700 -0.023 0.000 2.235 338 N HA 0.213 4.953 4.740 -0.000 0.000 0.293 338 N C 0.621 176.123 175.510 -0.014 0.000 1.083 338 N CA -0.844 52.195 53.050 -0.017 0.000 0.801 338 N CB 2.037 40.514 38.487 -0.016 0.000 1.559 338 N HN -0.138 nan 8.380 nan 0.000 0.472 339 R N 0.539 121.030 120.500 -0.015 0.000 2.103 339 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 339 R C 1.553 177.847 176.300 -0.011 0.000 1.142 339 R CA 2.056 58.146 56.100 -0.017 0.000 0.960 339 R CB -0.060 30.226 30.300 -0.023 0.000 0.858 339 R HN 0.669 nan 8.270 nan 0.000 0.439 340 Q N 0.150 119.945 119.800 -0.008 0.000 2.124 340 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 340 Q C 1.749 177.759 176.000 0.016 0.000 0.977 340 Q CA 2.145 57.947 55.803 -0.001 0.000 0.850 340 Q CB -0.254 28.483 28.738 -0.002 0.000 0.901 340 Q HN 0.450 nan 8.270 nan 0.000 0.429 341 A N -0.937 121.893 122.820 0.017 0.000 1.929 341 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 341 A C 2.254 179.881 177.584 0.071 0.000 1.176 341 A CA 1.281 53.340 52.037 0.037 0.000 0.628 341 A CB -0.712 18.294 19.000 0.010 0.000 0.816 341 A HN 0.245 nan 8.150 nan 0.000 0.444 342 V N -0.490 119.450 119.914 0.044 0.000 2.233 342 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 342 V C 2.578 178.733 176.094 0.102 0.000 1.050 342 V CA 2.551 64.890 62.300 0.066 0.000 1.010 342 V CB -0.651 31.186 31.823 0.022 0.000 0.637 342 V HN 0.575 nan 8.190 nan 0.000 0.444 343 M N 0.006 119.632 119.600 0.042 0.000 2.106 343 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 343 M C 1.737 178.062 176.300 0.041 0.000 1.068 343 M CA 1.841 57.150 55.300 0.016 0.000 1.100 343 M CB -0.876 31.710 32.600 -0.022 0.000 1.351 343 M HN 0.351 nan 8.290 nan 0.000 0.404 344 D N -1.428 119.011 120.400 0.066 0.000 2.178 344 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 344 D C 1.829 178.194 176.300 0.108 0.000 0.974 344 D CA 1.102 55.144 54.000 0.070 0.000 0.841 344 D CB -0.318 40.526 40.800 0.074 0.000 0.953 344 D HN 0.415 nan 8.370 nan 0.000 0.478 345 F N 0.732 120.693 119.950 0.019 0.000 2.187 345 F HA -0.046 4.481 4.527 -0.000 0.000 0.295 345 F C 2.049 177.847 175.800 -0.003 0.000 1.091 345 F CA 0.391 58.408 58.000 0.028 0.000 1.308 345 F CB -0.041 38.997 39.000 0.064 0.000 1.030 345 F HN -0.214 nan 8.300 nan 0.000 0.487 346 I N 1.211 121.851 120.570 0.116 0.000 2.361 346 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 346 I C 2.443 178.507 176.117 -0.089 0.000 1.133 346 I CA 1.241 62.544 61.300 0.006 0.000 1.413 346 I CB -0.830 37.205 38.000 0.058 0.000 1.073 346 I HN 0.170 nan 8.210 nan 0.000 0.424 347 K N 0.321 120.679 120.400 -0.070 0.000 2.015 347 K HA -0.244 4.076 4.320 -0.000 0.000 0.220 347 K C 0.555 177.106 176.600 -0.082 0.000 1.055 347 K CA 2.264 58.513 56.287 -0.063 0.000 0.951 347 K CB -0.205 32.268 32.500 -0.045 0.000 0.725 347 K HN 0.278 nan 8.250 nan 0.000 0.449 348 D N 0.728 121.058 120.400 -0.117 0.000 2.525 348 D HA 0.068 4.708 4.640 -0.000 0.000 0.229 348 D C -0.687 175.519 176.300 -0.156 0.000 1.202 348 D CA -0.213 53.719 54.000 -0.113 0.000 0.828 348 D CB 0.232 40.974 40.800 -0.097 0.000 1.008 348 D HN 0.090 nan 8.370 nan 0.000 0.493 349 L N 2.182 123.291 121.223 -0.191 0.000 2.369 349 L HA 0.299 4.638 4.340 -0.000 0.000 0.279 349 L C -2.469 174.321 176.870 -0.134 0.000 1.108 349 L CA -1.503 53.205 54.840 -0.220 0.000 0.852 349 L CB 0.567 42.465 42.059 -0.269 0.000 1.169 349 L HN -0.269 nan 8.230 nan 0.000 0.452 350 P HA 0.001 nan 4.420 nan 0.000 0.263 350 P C 0.800 178.058 177.300 -0.070 0.000 1.195 350 P CA 0.109 63.159 63.100 -0.082 0.000 0.762 350 P CB 0.570 32.226 31.700 -0.072 0.000 0.799 351 I N 3.791 124.322 120.570 -0.066 0.000 2.423 351 I HA -0.228 3.942 4.170 -0.000 0.000 0.254 351 I C 2.228 178.329 176.117 -0.027 0.000 1.151 351 I CA 1.519 62.783 61.300 -0.059 0.000 1.421 351 I CB -0.275 37.669 38.000 -0.094 0.000 1.079 351 I HN 0.249 nan 8.210 nan 0.000 0.431 352 R N 0.790 121.277 120.500 -0.023 0.000 2.120 352 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 352 R C 2.016 178.318 176.300 0.003 0.000 1.123 352 R CA 1.313 57.411 56.100 -0.002 0.000 0.975 352 R CB -0.138 30.157 30.300 -0.009 0.000 0.866 352 R HN 0.217 nan 8.270 nan 0.000 0.446 353 K N -0.038 120.355 120.400 -0.013 0.000 2.362 353 K HA 0.015 4.335 4.320 -0.000 0.000 0.200 353 K C 0.122 176.731 176.600 0.015 0.000 1.046 353 K CA 0.370 56.653 56.287 -0.007 0.000 0.952 353 K CB 0.063 32.546 32.500 -0.028 0.000 0.753 353 K HN 0.051 nan 8.250 nan 0.000 0.466 354 V N 2.403 122.329 119.914 0.021 0.000 2.572 354 V HA -0.035 4.085 4.120 -0.000 0.000 0.291 354 V C 0.692 176.830 176.094 0.073 0.000 1.039 354 V CA -0.191 62.133 62.300 0.041 0.000 1.055 354 V CB 1.326 33.160 31.823 0.018 0.000 0.969 354 V HN 0.161 nan 8.190 nan 0.000 0.482 355 S N 4.012 119.763 115.700 0.085 0.000 2.481 355 S HA 0.424 4.894 4.470 -0.000 0.000 0.282 355 S C 1.117 175.828 174.600 0.184 0.000 1.243 355 S CA 0.599 58.862 58.200 0.105 0.000 1.078 355 S CB -0.337 62.920 63.200 0.095 0.000 0.916 355 S HN 1.609 nan 8.310 nan 0.000 0.495 356 G N 4.314 113.213 108.800 0.166 0.000 2.211 356 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.201 356 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.201 356 G C -0.070 174.978 174.900 0.246 0.000 0.997 356 G CA -0.206 45.017 45.100 0.205 0.000 0.652 356 G HN 0.647 nan 8.290 nan 0.000 0.500 357 I N 2.813 123.510 120.570 0.213 0.000 2.306 357 I HA 0.510 4.680 4.170 -0.000 0.000 0.288 357 I C 1.351 177.534 176.117 0.109 0.000 1.036 357 I CA -0.148 61.263 61.300 0.185 0.000 1.221 357 I CB 0.177 38.264 38.000 0.145 0.000 1.385 357 I HN 0.136 nan 8.210 nan 0.000 0.472 358 G N 4.380 113.239 108.800 0.099 0.000 2.531 358 G HA2 0.383 4.343 3.960 -0.000 0.000 0.253 358 G HA3 0.383 4.343 3.960 -0.000 0.000 0.253 358 G C 0.962 175.894 174.900 0.052 0.000 1.439 358 G CA 0.389 45.528 45.100 0.064 0.000 1.056 358 G HN 0.557 nan 8.290 nan 0.000 0.555 359 K N -1.410 119.013 120.400 0.038 0.000 2.167 359 K HA 0.205 4.525 4.320 -0.000 0.000 0.203 359 K C 2.478 179.099 176.600 0.035 0.000 1.052 359 K CA 1.558 57.862 56.287 0.028 0.000 0.956 359 K CB -0.739 31.771 32.500 0.017 0.000 0.735 359 K HN 0.270 nan 8.250 nan 0.000 0.451 360 V N 0.914 120.856 119.914 0.046 0.000 2.323 360 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 360 V C 2.861 179.009 176.094 0.090 0.000 1.041 360 V CA 2.401 64.735 62.300 0.057 0.000 1.025 360 V CB -0.119 31.738 31.823 0.057 0.000 0.656 360 V HN 0.745 nan 8.190 nan 0.000 0.451 361 T N -0.995 113.629 114.554 0.116 0.000 2.904 361 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 361 T C 1.843 176.597 174.700 0.091 0.000 1.059 361 T CA 1.768 63.965 62.100 0.162 0.000 1.137 361 T CB -0.154 68.854 68.868 0.234 0.000 0.879 361 T HN 0.618 nan 8.240 nan 0.000 0.467 362 E N 0.252 120.487 120.200 0.058 0.000 2.077 362 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 362 E C 2.248 178.857 176.600 0.014 0.000 0.989 362 E CA 1.190 57.600 56.400 0.016 0.000 0.800 362 E CB -0.128 29.580 29.700 0.013 0.000 0.746 362 E HN 0.514 nan 8.360 nan 0.000 0.452 363 K N -0.035 120.383 120.400 0.029 0.000 2.026 363 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 363 K C 2.259 178.881 176.600 0.036 0.000 1.048 363 K CA 1.639 57.941 56.287 0.024 0.000 0.929 363 K CB -0.014 32.499 32.500 0.022 0.000 0.713 363 K HN 0.134 nan 8.250 nan 0.000 0.439 364 M N 0.452 120.094 119.600 0.070 0.000 2.099 364 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 364 M C 2.161 178.525 176.300 0.106 0.000 1.067 364 M CA 1.426 56.790 55.300 0.107 0.000 1.124 364 M CB -0.280 32.437 32.600 0.194 0.000 1.353 364 M HN 0.179 nan 8.290 nan 0.000 0.410 365 L N 0.344 121.608 121.223 0.067 0.000 2.141 365 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 365 L C 2.636 179.486 176.870 -0.033 0.000 1.094 365 L CA 1.281 56.107 54.840 -0.023 0.000 0.763 365 L CB -0.709 41.239 42.059 -0.186 0.000 0.908 365 L HN 0.390 nan 8.230 nan 0.000 0.437 366 K N 0.968 121.355 120.400 -0.022 0.000 2.097 366 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 366 K C 2.022 178.616 176.600 -0.009 0.000 1.049 366 K CA 1.365 57.638 56.287 -0.022 0.000 0.933 366 K CB -0.099 32.391 32.500 -0.017 0.000 0.717 366 K HN 0.215 nan 8.250 nan 0.000 0.442 367 A N 1.301 124.125 122.820 0.007 0.000 2.076 367 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 367 A C 1.840 179.429 177.584 0.008 0.000 1.160 367 A CA 1.124 53.167 52.037 0.010 0.000 0.653 367 A CB -0.386 18.626 19.000 0.020 0.000 0.801 367 A HN 0.387 nan 8.150 nan 0.000 0.455 368 L N -1.439 119.791 121.223 0.010 0.000 2.628 368 L HA 0.261 4.601 4.340 -0.000 0.000 0.229 368 L C 1.413 178.275 176.870 -0.015 0.000 1.137 368 L CA 0.412 55.255 54.840 0.006 0.000 0.909 368 L CB -0.078 41.997 42.059 0.026 0.000 1.137 368 L HN 0.545 nan 8.230 nan 0.000 0.470 369 G N 1.262 110.050 108.800 -0.021 0.000 2.137 369 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 369 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 369 G C 0.011 174.886 174.900 -0.041 0.000 1.002 369 G CA -0.249 44.834 45.100 -0.028 0.000 0.702 369 G HN 0.313 nan 8.290 nan 0.000 0.515 370 I N 0.499 121.037 120.570 -0.054 0.000 2.382 370 I HA 0.455 4.625 4.170 -0.000 0.000 0.285 370 I C 1.091 177.161 176.117 -0.079 0.000 1.007 370 I CA -0.883 60.369 61.300 -0.079 0.000 1.142 370 I CB 1.137 39.060 38.000 -0.128 0.000 1.289 370 I HN -0.028 nan 8.210 nan 0.000 0.453 371 I N 2.968 123.497 120.570 -0.069 0.000 4.197 371 I HA 0.059 4.229 4.170 -0.000 0.000 0.307 371 I C 0.844 176.919 176.117 -0.070 0.000 1.236 371 I CA 0.658 61.920 61.300 -0.064 0.000 1.321 371 I CB 0.969 38.940 38.000 -0.049 0.000 1.309 371 I HN 0.570 nan 8.210 nan 0.000 0.450 372 T N -2.910 111.604 114.554 -0.068 0.000 2.932 372 T HA 0.251 4.601 4.350 -0.000 0.000 0.289 372 T C 0.978 175.642 174.700 -0.060 0.000 1.039 372 T CA -0.577 61.483 62.100 -0.068 0.000 1.024 372 T CB 2.163 70.992 68.868 -0.064 0.000 1.090 372 T HN 0.073 nan 8.240 nan 0.000 0.496 373 C N 1.294 120.559 119.300 -0.058 0.000 2.398 373 C HA -0.102 4.358 4.460 -0.000 0.000 0.279 373 C C 2.932 177.928 174.990 0.009 0.000 1.250 373 C CA 1.528 60.526 59.018 -0.033 0.000 1.786 373 C CB -1.632 26.088 27.740 -0.034 0.000 2.018 373 C HN 1.051 nan 8.230 nan 0.000 0.494 374 T N 0.354 114.910 114.554 0.004 0.000 2.821 374 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 374 T C 1.592 176.331 174.700 0.065 0.000 1.046 374 T CA 1.449 63.578 62.100 0.049 0.000 1.139 374 T CB -0.201 68.679 68.868 0.019 0.000 0.871 374 T HN 0.668 nan 8.240 nan 0.000 0.454 375 E N 0.522 120.726 120.200 0.007 0.000 2.107 375 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 375 E C 1.993 178.571 176.600 -0.036 0.000 0.982 375 E CA 0.484 56.873 56.400 -0.019 0.000 0.809 375 E CB -0.181 29.493 29.700 -0.043 0.000 0.756 375 E HN 0.208 nan 8.360 nan 0.000 0.459 376 L N 0.131 121.328 121.223 -0.044 0.000 2.191 376 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 376 L C 2.054 178.936 176.870 0.021 0.000 1.103 376 L CA 1.410 56.203 54.840 -0.077 0.000 0.769 376 L CB -0.270 41.721 42.059 -0.112 0.000 0.908 376 L HN 0.154 nan 8.230 nan 0.000 0.438 377 Y N -0.037 120.234 120.300 -0.048 0.000 2.153 377 Y HA -0.204 4.346 4.550 -0.000 0.000 0.289 377 Y C 2.543 178.427 175.900 -0.026 0.000 1.127 377 Y CA 1.792 59.880 58.100 -0.021 0.000 1.131 377 Y CB -0.401 38.051 38.460 -0.013 0.000 0.995 377 Y HN 0.268 nan 8.280 nan 0.000 0.505 378 Q N -0.202 119.528 119.800 -0.118 0.000 2.152 378 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 378 Q C 1.478 177.360 176.000 -0.197 0.000 0.985 378 Q CA 1.909 57.603 55.803 -0.182 0.000 0.863 378 Q CB -0.176 28.523 28.738 -0.064 0.000 0.904 378 Q HN 0.644 nan 8.270 nan 0.000 0.422 379 Q N -0.001 119.710 119.800 -0.149 0.000 2.246 379 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 379 Q C 1.475 177.394 176.000 -0.134 0.000 0.883 379 Q CA -0.141 55.588 55.803 -0.123 0.000 0.952 379 Q CB 0.289 28.977 28.738 -0.084 0.000 1.078 379 Q HN 0.394 nan 8.270 nan 0.000 0.493 380 R N 0.508 120.896 120.500 -0.186 0.000 2.119 380 R HA -0.206 4.133 4.340 -0.000 0.000 0.246 380 R C 1.945 178.105 176.300 -0.232 0.000 1.146 380 R CA 1.640 57.639 56.100 -0.167 0.000 0.962 380 R CB -0.723 29.456 30.300 -0.202 0.000 0.863 380 R HN 0.136 nan 8.270 nan 0.000 0.442 381 A N 2.207 124.890 122.820 -0.229 0.000 1.841 381 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 381 A C 2.355 179.817 177.584 -0.203 0.000 1.199 381 A CA 1.471 53.367 52.037 -0.236 0.000 0.621 381 A CB -0.782 18.113 19.000 -0.174 0.000 0.835 381 A HN 0.375 nan 8.150 nan 0.000 0.445 382 L N -0.348 120.801 121.223 -0.123 0.000 1.990 382 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 382 L C 2.617 179.483 176.870 -0.006 0.000 1.072 382 L CA 1.936 56.740 54.840 -0.060 0.000 0.755 382 L CB -0.476 41.568 42.059 -0.025 0.000 0.889 382 L HN 0.476 nan 8.230 nan 0.000 0.432 383 L N -0.358 120.885 121.223 0.033 0.000 2.081 383 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 383 L C 2.838 179.798 176.870 0.151 0.000 1.080 383 L CA 1.675 56.648 54.840 0.222 0.000 0.754 383 L CB -0.744 41.422 42.059 0.177 0.000 0.893 383 L HN 0.474 nan 8.230 nan 0.000 0.433 384 S N -0.243 115.263 115.700 -0.323 0.000 2.402 384 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 384 S C 1.882 176.307 174.600 -0.292 0.000 1.021 384 S CA 0.808 58.466 58.200 -0.904 0.000 0.974 384 S CB -0.349 61.985 63.200 -1.444 0.000 0.800 384 S HN 0.408 nan 8.310 nan 0.000 0.484 385 L N 0.087 121.224 121.223 -0.143 0.000 2.162 385 L HA 0.221 4.561 4.340 -0.000 0.000 0.205 385 L C 2.422 179.297 176.870 0.010 0.000 1.086 385 L CA 0.748 55.557 54.840 -0.051 0.000 0.778 385 L CB -0.317 41.703 42.059 -0.064 0.000 0.928 385 L HN 0.310 nan 8.230 nan 0.000 0.446 386 L N -1.775 119.478 121.223 0.049 0.000 2.375 386 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 386 L C 0.243 177.023 176.870 -0.151 0.000 1.108 386 L CA 0.342 55.145 54.840 -0.061 0.000 0.830 386 L CB 0.077 42.079 42.059 -0.095 0.000 0.959 386 L HN 0.018 nan 8.230 nan 0.000 0.457 387 F N -0.725 119.320 119.950 0.158 0.000 2.541 387 F HA 0.282 4.809 4.527 -0.000 0.000 0.331 387 F C 0.913 176.866 175.800 0.255 0.000 1.057 387 F CA -1.040 57.092 58.000 0.220 0.000 0.975 387 F CB 1.429 40.623 39.000 0.324 0.000 1.246 387 F HN -0.239 nan 8.300 nan 0.000 0.484 388 S N 0.101 116.023 115.700 0.370 0.000 2.562 388 S HA 0.055 4.525 4.470 -0.000 0.000 0.281 388 S C 1.028 175.739 174.600 0.185 0.000 1.333 388 S CA -0.379 57.948 58.200 0.213 0.000 1.052 388 S CB 1.095 64.357 63.200 0.103 0.000 0.884 388 S HN 0.871 nan 8.310 nan 0.000 0.506 389 E N 2.456 122.719 120.200 0.104 0.000 2.147 389 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 389 E C 1.477 177.843 176.600 -0.391 0.000 1.005 389 E CA 1.962 58.289 56.400 -0.122 0.000 0.810 389 E CB -0.517 29.145 29.700 -0.062 0.000 0.736 389 E HN 0.872 nan 8.360 nan 0.000 0.460 390 T N -0.213 114.174 114.554 -0.279 0.000 2.777 390 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 390 T C 2.038 176.575 174.700 -0.271 0.000 1.040 390 T CA 1.227 63.136 62.100 -0.317 0.000 1.141 390 T CB -0.214 68.509 68.868 -0.242 0.000 0.868 390 T HN 0.111 nan 8.240 nan 0.000 0.444 391 S N 1.086 116.655 115.700 -0.218 0.000 2.353 391 S HA -0.104 4.365 4.470 -0.000 0.000 0.222 391 S C 1.914 176.242 174.600 -0.452 0.000 1.035 391 S CA 1.471 59.449 58.200 -0.370 0.000 1.025 391 S CB -0.506 62.564 63.200 -0.217 0.000 0.902 391 S HN 0.828 nan 8.310 nan 0.000 0.440 392 W N 1.635 122.851 121.300 -0.140 0.000 2.425 392 W HA -0.076 4.584 4.660 -0.000 0.000 0.277 392 W C 1.529 178.045 176.519 -0.006 0.000 1.231 392 W CA 0.947 58.288 57.345 -0.006 0.000 1.248 392 W CB -1.013 28.508 29.460 0.100 0.000 1.117 392 W HN 0.395 nan 8.180 nan 0.000 0.568 393 H N -0.078 118.602 119.070 -0.650 0.000 2.319 393 H HA -0.222 4.334 4.556 -0.000 0.000 0.299 393 H C 1.999 177.318 175.328 -0.015 0.000 1.092 393 H CA 3.023 58.787 56.048 -0.472 0.000 1.302 393 H CB -1.174 28.223 29.762 -0.608 0.000 1.373 393 H HN 0.212 nan 8.280 nan 0.000 0.497 394 Y N 0.365 120.576 120.300 -0.149 0.000 2.145 394 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 394 Y C 1.943 177.885 175.900 0.070 0.000 1.145 394 Y CA 1.475 59.482 58.100 -0.154 0.000 1.148 394 Y CB -0.835 37.450 38.460 -0.290 0.000 0.981 394 Y HN 0.190 nan 8.280 nan 0.000 0.507 395 F N -1.004 118.958 119.950 0.020 0.000 2.095 395 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 395 F C 2.323 178.144 175.800 0.034 0.000 1.104 395 F CA 0.738 58.702 58.000 -0.059 0.000 1.232 395 F CB -0.577 38.419 39.000 -0.007 0.000 0.987 395 F HN 0.205 nan 8.300 nan 0.000 0.475 396 L N 0.125 121.567 121.223 0.366 0.000 2.012 396 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 396 L C 2.393 179.423 176.870 0.267 0.000 1.073 396 L CA 1.945 56.985 54.840 0.334 0.000 0.748 396 L CB -1.203 41.082 42.059 0.377 0.000 0.891 396 L HN 0.169 nan 8.230 nan 0.000 0.431 397 H N -0.757 118.388 119.070 0.125 0.000 2.319 397 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 397 H C 2.352 177.691 175.328 0.018 0.000 1.092 397 H CA 2.131 58.226 56.048 0.079 0.000 1.302 397 H CB -0.077 29.724 29.762 0.066 0.000 1.373 397 H HN 0.378 nan 8.280 nan 0.000 0.497 398 I N 0.917 121.536 120.570 0.081 0.000 2.226 398 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 398 I C 2.828 178.963 176.117 0.030 0.000 1.100 398 I CA 1.462 62.760 61.300 -0.004 0.000 1.374 398 I CB -0.218 37.717 38.000 -0.108 0.000 1.057 398 I HN 0.272 nan 8.210 nan 0.000 0.413 399 S N 0.862 116.605 115.700 0.071 0.000 2.399 399 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 399 S C 1.783 176.375 174.600 -0.013 0.000 1.022 399 S CA 0.926 59.169 58.200 0.072 0.000 0.983 399 S CB -0.655 62.670 63.200 0.210 0.000 0.803 399 S HN 0.458 nan 8.310 nan 0.000 0.480 400 L N 0.887 122.106 121.223 -0.006 0.000 2.592 400 L HA 0.351 4.691 4.340 -0.000 0.000 0.227 400 L C 1.958 178.800 176.870 -0.046 0.000 1.127 400 L CA 0.338 55.130 54.840 -0.080 0.000 0.884 400 L CB -0.442 41.581 42.059 -0.060 0.000 1.065 400 L HN 0.603 nan 8.230 nan 0.000 0.457 401 G N 0.334 109.132 108.800 -0.003 0.000 2.205 401 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.261 401 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.261 401 G C 0.403 175.319 174.900 0.028 0.000 0.980 401 G CA -0.125 44.990 45.100 0.024 0.000 0.632 401 G HN 0.226 nan 8.290 nan 0.000 0.533 402 L N 0.681 121.919 121.223 0.024 0.000 2.485 402 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 402 L C 1.225 178.163 176.870 0.113 0.000 1.207 402 L CA 0.847 55.716 54.840 0.048 0.000 0.855 402 L CB 0.530 42.578 42.059 -0.018 0.000 1.114 402 L HN 0.421 nan 8.230 nan 0.000 0.485 403 G N 1.278 110.138 108.800 0.099 0.000 2.682 403 G HA2 0.385 4.345 3.960 -0.000 0.000 0.303 403 G HA3 0.385 4.345 3.960 -0.000 0.000 0.303 403 G C -1.562 173.375 174.900 0.062 0.000 1.341 403 G CA -0.471 44.677 45.100 0.079 0.000 0.784 403 G HN 0.414 nan 8.290 nan 0.000 0.497 404 S N -0.383 115.320 115.700 0.006 0.000 2.523 404 S HA 0.466 4.936 4.470 -0.000 0.000 0.275 404 S C 1.305 175.885 174.600 -0.034 0.000 1.281 404 S CA 0.185 58.382 58.200 -0.004 0.000 1.050 404 S CB 1.328 64.495 63.200 -0.054 0.000 0.937 404 S HN 0.796 nan 8.310 nan 0.000 0.492 405 T N -0.574 113.999 114.554 0.031 0.000 3.071 405 T HA 0.056 4.406 4.350 -0.000 0.000 0.239 405 T C 0.648 175.386 174.700 0.065 0.000 0.997 405 T CA 0.082 62.202 62.100 0.033 0.000 1.134 405 T CB -0.332 68.566 68.868 0.050 0.000 0.928 405 T HN 0.786 nan 8.240 nan 0.000 0.453 406 H N 2.591 121.650 119.070 -0.018 0.000 2.652 406 H HA 0.450 5.006 4.556 -0.000 0.000 0.298 406 H C -0.622 174.696 175.328 -0.016 0.000 1.076 406 H CA -1.040 55.002 56.048 -0.009 0.000 1.360 406 H CB 0.095 29.857 29.762 0.001 0.000 1.421 406 H HN 0.225 nan 8.280 nan 0.000 0.464 407 L N 4.360 125.439 121.223 -0.239 0.000 2.477 407 L HA -0.022 4.318 4.340 -0.000 0.000 0.272 407 L C 1.160 177.796 176.870 -0.390 0.000 1.157 407 L CA 0.136 54.816 54.840 -0.266 0.000 0.889 407 L CB 0.585 42.590 42.059 -0.090 0.000 1.158 407 L HN 0.690 nan 8.230 nan 0.000 0.473 408 T N 3.783 118.101 114.554 -0.393 0.000 3.945 408 T HA 0.147 4.497 4.350 -0.000 0.000 0.306 408 T C 0.793 175.423 174.700 -0.116 0.000 1.475 408 T CA -0.438 61.497 62.100 -0.275 0.000 1.177 408 T CB -0.497 68.254 68.868 -0.196 0.000 1.272 408 T HN 0.683 nan 8.240 nan 0.000 0.930 409 R N 1.838 122.286 120.500 -0.087 0.000 2.808 409 R HA 0.468 4.808 4.340 -0.000 0.000 0.248 409 R C 0.113 176.389 176.300 -0.040 0.000 1.539 409 R CA 0.569 56.632 56.100 -0.061 0.000 1.071 409 R CB -1.482 28.793 30.300 -0.042 0.000 1.172 409 R HN 0.853 nan 8.270 nan 0.000 0.579 410 D N -0.391 119.985 120.400 -0.039 0.000 2.301 410 D HA 0.513 5.153 4.640 -0.000 0.000 0.187 410 D C -0.147 176.143 176.300 -0.015 0.000 1.264 410 D CA 0.071 54.060 54.000 -0.020 0.000 0.849 410 D CB 0.650 41.448 40.800 -0.003 0.000 1.828 410 D HN 1.087 nan 8.370 nan 0.000 0.526 411 G N 0.154 108.947 108.800 -0.012 0.000 2.618 411 G HA2 0.735 4.695 3.960 -0.000 0.000 0.289 411 G HA3 0.735 4.695 3.960 -0.000 0.000 0.289 411 G C -0.280 174.626 174.900 0.010 0.000 1.493 411 G CA 0.547 45.647 45.100 0.000 0.000 1.133 411 G HN 1.010 nan 8.290 nan 0.000 0.578 412 E N 2.244 122.457 120.200 0.023 0.000 2.290 412 E HA 0.504 4.854 4.350 -0.000 0.000 0.277 412 E C 0.705 177.346 176.600 0.068 0.000 1.035 412 E CA -0.729 55.692 56.400 0.034 0.000 0.873 412 E CB 0.695 30.421 29.700 0.043 0.000 1.029 412 E HN 0.921 nan 8.360 nan 0.000 0.419 413 R N 1.777 122.314 120.500 0.062 0.000 2.566 413 R HA -0.038 4.302 4.340 -0.000 0.000 0.273 413 R C 0.261 176.741 176.300 0.299 0.000 0.981 413 R CA 0.903 57.078 56.100 0.125 0.000 1.091 413 R CB 0.377 30.715 30.300 0.064 0.000 0.924 413 R HN 0.618 nan 8.270 nan 0.000 0.411 414 K N 1.701 122.273 120.400 0.286 0.000 2.391 414 K HA 0.088 4.408 4.320 -0.000 0.000 0.197 414 K C 0.094 176.743 176.600 0.082 0.000 1.087 414 K CA 0.414 56.836 56.287 0.225 0.000 1.012 414 K CB 0.935 33.477 32.500 0.071 0.000 0.925 414 K HN 0.756 nan 8.250 nan 0.000 0.547 415 S N 0.273 116.114 115.700 0.234 0.000 2.671 415 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 415 S C -1.216 173.553 174.600 0.281 0.000 1.165 415 S CA -0.871 57.428 58.200 0.165 0.000 0.822 415 S CB 2.149 65.367 63.200 0.030 0.000 1.150 415 S HN 0.131 nan 8.310 nan 0.000 0.479 416 M N 1.942 121.679 119.600 0.228 0.000 2.365 416 M HA 0.600 5.079 4.480 -0.000 0.000 0.288 416 M C -1.872 174.501 176.300 0.121 0.000 1.152 416 M CA -0.002 55.401 55.300 0.172 0.000 0.948 416 M CB 1.848 34.560 32.600 0.186 0.000 1.729 416 M HN 1.295 nan 8.290 nan 0.000 0.487 417 S N 2.404 118.158 115.700 0.090 0.000 2.596 417 S HA 0.917 5.387 4.470 -0.000 0.000 0.270 417 S C -1.633 173.004 174.600 0.061 0.000 1.155 417 S CA -0.776 57.466 58.200 0.071 0.000 0.827 417 S CB 2.056 65.293 63.200 0.061 0.000 1.130 417 S HN 0.707 nan 8.310 nan 0.000 0.467 418 V N 1.382 121.330 119.914 0.057 0.000 2.709 418 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 418 V C -0.842 175.285 176.094 0.056 0.000 1.062 418 V CA -0.605 61.724 62.300 0.050 0.000 0.901 418 V CB 1.429 33.278 31.823 0.043 0.000 1.003 418 V HN 1.121 nan 8.190 nan 0.000 0.425 419 E N 3.836 124.068 120.200 0.054 0.000 2.321 419 E HA 0.745 5.095 4.350 -0.000 0.000 0.278 419 E C -1.566 175.069 176.600 0.059 0.000 0.902 419 E CA -1.235 55.200 56.400 0.058 0.000 0.758 419 E CB 2.770 32.496 29.700 0.043 0.000 1.213 419 E HN 0.392 nan 8.360 nan 0.000 0.426 420 R N 1.471 122.021 120.500 0.083 0.000 2.628 420 R HA 0.492 4.832 4.340 -0.000 0.000 0.288 420 R C -0.958 175.337 176.300 -0.008 0.000 0.980 420 R CA -0.895 55.261 56.100 0.093 0.000 0.891 420 R CB 2.397 32.805 30.300 0.180 0.000 1.188 420 R HN 0.672 nan 8.270 nan 0.000 0.450 421 T N 3.864 118.370 114.554 -0.079 0.000 2.875 421 T HA 0.693 5.043 4.350 -0.000 0.000 0.284 421 T C -0.634 173.986 174.700 -0.133 0.000 0.995 421 T CA -0.134 61.789 62.100 -0.295 0.000 1.060 421 T CB 0.365 69.134 68.868 -0.165 0.000 0.967 421 T HN 0.403 nan 8.240 nan 0.000 0.476 422 F N -0.752 119.187 119.950 -0.018 0.000 2.686 422 F HA 0.686 5.213 4.527 -0.000 0.000 0.311 422 F C -0.089 175.692 175.800 -0.031 0.000 1.128 422 F CA -1.517 56.472 58.000 -0.019 0.000 0.946 422 F CB 0.702 39.692 39.000 -0.018 0.000 1.336 422 F HN 0.358 nan 8.300 nan 0.000 0.457 423 S N 0.856 116.716 115.700 0.268 0.000 2.552 423 S HA 0.023 4.493 4.470 -0.000 0.000 0.289 423 S C 0.040 174.797 174.600 0.261 0.000 1.304 423 S CA -0.195 58.107 58.200 0.170 0.000 1.063 423 S CB -0.068 63.190 63.200 0.096 0.000 0.848 423 S HN 0.848 nan 8.310 nan 0.000 0.499 424 E N 3.251 123.546 120.200 0.158 0.000 2.653 424 E HA -0.037 4.313 4.350 -0.000 0.000 0.264 424 E C -0.804 175.889 176.600 0.155 0.000 0.949 424 E CA 0.617 57.117 56.400 0.167 0.000 0.953 424 E CB 0.288 30.030 29.700 0.070 0.000 0.925 424 E HN 0.529 nan 8.360 nan 0.000 0.475 425 I N 4.320 125.000 120.570 0.183 0.000 2.499 425 I HA 0.164 4.334 4.170 -0.000 0.000 0.288 425 I C -0.010 176.138 176.117 0.052 0.000 1.048 425 I CA -0.636 60.683 61.300 0.032 0.000 1.062 425 I CB 1.669 39.563 38.000 -0.176 0.000 1.238 425 I HN 0.689 nan 8.210 nan 0.000 0.426 426 N N 3.873 122.587 118.700 0.022 0.000 2.297 426 N HA 0.098 4.838 4.740 -0.000 0.000 0.208 426 N C -0.030 175.490 175.510 0.016 0.000 1.176 426 N CA -0.337 52.729 53.050 0.026 0.000 0.882 426 N CB 0.288 38.794 38.487 0.032 0.000 1.134 426 N HN 0.276 nan 8.380 nan 0.000 0.489 427 K N 0.952 121.356 120.400 0.008 0.000 2.402 427 K HA 0.248 4.568 4.320 -0.000 0.000 0.285 427 K C 0.792 177.410 176.600 0.031 0.000 1.054 427 K CA 0.210 56.508 56.287 0.017 0.000 1.001 427 K CB 0.891 33.397 32.500 0.010 0.000 0.946 427 K HN 0.303 nan 8.250 nan 0.000 0.473 428 A N 4.266 127.121 122.820 0.059 0.000 1.927 428 A HA -0.314 4.006 4.320 -0.000 0.000 0.220 428 A C 2.340 180.057 177.584 0.222 0.000 1.185 428 A CA 2.430 54.529 52.037 0.104 0.000 0.639 428 A CB -0.739 18.361 19.000 0.167 0.000 0.820 428 A HN 0.887 nan 8.150 nan 0.000 0.451 429 E N -0.261 120.054 120.200 0.191 0.000 2.023 429 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 429 E C 1.910 178.604 176.600 0.157 0.000 1.003 429 E CA 1.876 58.392 56.400 0.194 0.000 0.809 429 E CB -0.916 28.835 29.700 0.085 0.000 0.755 429 E HN 0.850 nan 8.360 nan 0.000 0.449 430 E N -0.240 119.997 120.200 0.061 0.000 2.118 430 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 430 E C 2.458 179.046 176.600 -0.019 0.000 0.992 430 E CA 1.418 57.817 56.400 -0.002 0.000 0.804 430 E CB -0.111 29.557 29.700 -0.052 0.000 0.741 430 E HN 0.689 nan 8.360 nan 0.000 0.458 431 Q N -0.729 119.059 119.800 -0.021 0.000 2.061 431 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 431 Q C 1.913 177.880 176.000 -0.055 0.000 0.984 431 Q CA 1.945 57.695 55.803 -0.088 0.000 0.846 431 Q CB -0.242 28.407 28.738 -0.148 0.000 0.902 431 Q HN 0.466 nan 8.270 nan 0.000 0.421 432 Y N 0.280 120.619 120.300 0.064 0.000 2.333 432 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 432 Y C 2.612 178.572 175.900 0.099 0.000 1.144 432 Y CA 1.003 59.190 58.100 0.146 0.000 1.228 432 Y CB -0.019 38.538 38.460 0.161 0.000 0.985 432 Y HN 0.065 nan 8.280 nan 0.000 0.542 433 S N 0.332 116.120 115.700 0.147 0.000 2.343 433 S HA -0.193 4.277 4.470 -0.000 0.000 0.219 433 S C 2.080 176.673 174.600 -0.012 0.000 1.033 433 S CA 1.169 59.382 58.200 0.021 0.000 1.014 433 S CB -0.719 62.471 63.200 -0.017 0.000 0.915 433 S HN 0.359 nan 8.310 nan 0.000 0.435 434 L N 0.873 122.083 121.223 -0.021 0.000 1.971 434 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 434 L C 2.874 179.772 176.870 0.047 0.000 1.072 434 L CA 1.683 56.508 54.840 -0.024 0.000 0.758 434 L CB -0.693 41.325 42.059 -0.068 0.000 0.889 434 L HN 0.516 nan 8.230 nan 0.000 0.433 435 C N -0.305 119.062 119.300 0.112 0.000 2.376 435 C HA -0.287 4.173 4.460 -0.000 0.000 0.275 435 C C 2.888 178.044 174.990 0.278 0.000 1.200 435 C CA 1.908 61.063 59.018 0.228 0.000 1.756 435 C CB -0.839 27.091 27.740 0.317 0.000 2.050 435 C HN 0.564 nan 8.230 nan 0.000 0.460 436 Q N -0.212 119.642 119.800 0.089 0.000 2.050 436 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 436 Q C 2.228 178.112 176.000 -0.192 0.000 0.980 436 Q CA 2.052 57.569 55.803 -0.476 0.000 0.840 436 Q CB -0.200 28.006 28.738 -0.887 0.000 0.898 436 Q HN 0.756 nan 8.270 nan 0.000 0.424 437 E N 0.262 120.397 120.200 -0.109 0.000 2.058 437 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 437 E C 2.161 178.753 176.600 -0.014 0.000 0.997 437 E CA 1.176 57.539 56.400 -0.062 0.000 0.801 437 E CB -0.136 29.535 29.700 -0.049 0.000 0.746 437 E HN 0.341 nan 8.360 nan 0.000 0.450 438 L N 0.459 121.696 121.223 0.025 0.000 2.017 438 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 438 L C 2.702 179.608 176.870 0.059 0.000 1.073 438 L CA 0.943 55.814 54.840 0.051 0.000 0.745 438 L CB -0.507 41.599 42.059 0.079 0.000 0.894 438 L HN 0.323 nan 8.230 nan 0.000 0.432 439 C N -1.124 118.230 119.300 0.089 0.000 2.413 439 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 439 C C 3.340 178.365 174.990 0.058 0.000 1.248 439 C CA 1.337 60.420 59.018 0.107 0.000 1.742 439 C CB -0.834 27.027 27.740 0.201 0.000 2.017 439 C HN 0.632 nan 8.230 nan 0.000 0.481 440 S N 0.762 116.471 115.700 0.016 0.000 2.354 440 S HA -0.253 4.217 4.470 -0.000 0.000 0.219 440 S C 1.901 176.507 174.600 0.009 0.000 1.035 440 S CA 2.299 60.499 58.200 0.000 0.000 1.037 440 S CB -0.515 62.666 63.200 -0.031 0.000 0.956 440 S HN 0.648 nan 8.310 nan 0.000 0.428 441 E N 0.559 120.762 120.200 0.005 0.000 2.114 441 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 441 E C 1.901 178.511 176.600 0.016 0.000 1.008 441 E CA 1.671 58.074 56.400 0.005 0.000 0.810 441 E CB -0.675 29.028 29.700 0.005 0.000 0.739 441 E HN 0.525 nan 8.360 nan 0.000 0.456 442 L N 0.168 121.411 121.223 0.033 0.000 1.988 442 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 442 L C 2.311 179.207 176.870 0.044 0.000 1.071 442 L CA 2.362 57.229 54.840 0.045 0.000 0.744 442 L CB -1.186 40.911 42.059 0.063 0.000 0.893 442 L HN 0.173 nan 8.230 nan 0.000 0.433 443 A N -1.020 121.828 122.820 0.047 0.000 1.997 443 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 443 A C 2.160 179.759 177.584 0.025 0.000 1.172 443 A CA 2.222 54.285 52.037 0.042 0.000 0.645 443 A CB -0.653 18.373 19.000 0.044 0.000 0.813 443 A HN 0.742 nan 8.150 nan 0.000 0.454 444 Q N -0.785 119.024 119.800 0.016 0.000 1.994 444 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 444 Q C 1.649 177.652 176.000 0.004 0.000 0.976 444 Q CA 1.219 57.025 55.803 0.006 0.000 0.828 444 Q CB -0.279 28.458 28.738 -0.001 0.000 0.894 444 Q HN 0.563 nan 8.270 nan 0.000 0.432 445 D N 0.808 121.212 120.400 0.006 0.000 2.172 445 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 445 D C 1.823 178.127 176.300 0.005 0.000 0.999 445 D CA 0.937 54.941 54.000 0.007 0.000 0.856 445 D CB -0.135 40.673 40.800 0.014 0.000 0.934 445 D HN 0.083 nan 8.370 nan 0.000 0.453 446 L N 0.850 122.081 121.223 0.013 0.000 2.027 446 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 446 L C 2.367 179.224 176.870 -0.021 0.000 1.074 446 L CA 1.702 56.544 54.840 0.003 0.000 0.745 446 L CB -0.904 41.176 42.059 0.036 0.000 0.898 446 L HN 0.009 nan 8.230 nan 0.000 0.433 447 Q N -0.156 119.640 119.800 -0.008 0.000 2.135 447 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 447 Q C 2.129 178.118 176.000 -0.020 0.000 0.981 447 Q CA 2.590 58.385 55.803 -0.013 0.000 0.856 447 Q CB -0.151 28.585 28.738 -0.003 0.000 0.902 447 Q HN 0.510 nan 8.270 nan 0.000 0.425 448 K N 1.061 121.452 120.400 -0.016 0.000 2.293 448 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 448 K C 1.192 177.777 176.600 -0.024 0.000 1.045 448 K CA 1.931 58.209 56.287 -0.015 0.000 0.933 448 K CB -0.546 31.948 32.500 -0.009 0.000 0.736 448 K HN 0.692 nan 8.250 nan 0.000 0.463 449 E N -1.872 118.303 120.200 -0.041 0.000 2.603 449 E HA 0.229 4.579 4.350 -0.000 0.000 0.211 449 E C 0.353 176.906 176.600 -0.078 0.000 0.995 449 E CA 0.174 56.538 56.400 -0.060 0.000 0.990 449 E CB 0.567 30.215 29.700 -0.086 0.000 1.036 449 E HN 0.518 nan 8.360 nan 0.000 0.475 450 R N 0.968 121.433 120.500 -0.060 0.000 3.251 450 R HA -0.199 4.141 4.340 -0.000 0.000 0.249 450 R C -0.407 175.842 176.300 -0.085 0.000 0.949 450 R CA 1.031 57.099 56.100 -0.054 0.000 0.645 450 R CB -3.176 27.102 30.300 -0.038 0.000 1.065 450 R HN 0.200 nan 8.270 nan 0.000 0.452 451 L N -0.227 120.922 121.223 -0.124 0.000 2.344 451 L HA 0.698 5.038 4.340 -0.000 0.000 0.272 451 L C 0.533 177.358 176.870 -0.074 0.000 1.035 451 L CA -0.947 53.769 54.840 -0.207 0.000 0.807 451 L CB 2.090 43.853 42.059 -0.493 0.000 1.237 451 L HN 0.481 nan 8.230 nan 0.000 0.442 452 K N 1.210 121.610 120.400 0.000 0.000 2.535 452 K HA 0.643 4.963 4.320 -0.000 0.000 0.250 452 K C -0.701 176.090 176.600 0.317 0.000 0.948 452 K CA -0.619 55.748 56.287 0.133 0.000 0.796 452 K CB 2.315 34.863 32.500 0.080 0.000 1.216 452 K HN 0.716 nan 8.250 nan 0.000 0.432 453 G N 0.778 109.773 108.800 0.326 0.000 2.730 453 G HA2 0.392 4.352 3.960 -0.000 0.000 0.289 453 G HA3 0.392 4.352 3.960 -0.000 0.000 0.289 453 G C -0.087 174.856 174.900 0.071 0.000 1.341 453 G CA -0.676 44.562 45.100 0.231 0.000 0.932 453 G HN 0.547 nan 8.290 nan 0.000 0.481 454 R N -1.027 119.465 120.500 -0.013 0.000 2.373 454 R HA 0.166 4.506 4.340 -0.000 0.000 0.221 454 R C -0.147 176.131 176.300 -0.037 0.000 0.893 454 R CA 0.183 56.275 56.100 -0.014 0.000 1.049 454 R CB 0.809 31.100 30.300 -0.014 0.000 1.119 454 R HN 0.423 nan 8.270 nan 0.000 0.535 455 T N 1.406 115.914 114.554 -0.075 0.000 2.842 455 T HA 0.393 4.743 4.350 -0.000 0.000 0.308 455 T C -0.146 174.520 174.700 -0.057 0.000 1.041 455 T CA -0.513 61.544 62.100 -0.070 0.000 0.964 455 T CB 2.265 71.077 68.868 -0.094 0.000 0.972 455 T HN -0.232 nan 8.240 nan 0.000 0.460 456 V N 3.841 123.738 119.914 -0.027 0.000 2.509 456 V HA 0.585 4.705 4.120 -0.000 0.000 0.284 456 V C 0.312 176.396 176.094 -0.016 0.000 1.047 456 V CA -0.481 61.813 62.300 -0.010 0.000 0.952 456 V CB 1.455 33.280 31.823 0.003 0.000 0.988 456 V HN 1.008 nan 8.190 nan 0.000 0.469 457 T N 5.462 120.011 114.554 -0.008 0.000 2.879 457 T HA 0.556 4.906 4.350 -0.000 0.000 0.290 457 T C -0.289 174.413 174.700 0.003 0.000 0.993 457 T CA -0.306 61.789 62.100 -0.009 0.000 0.975 457 T CB 1.298 70.158 68.868 -0.014 0.000 0.981 457 T HN 0.657 nan 8.240 nan 0.000 0.439 458 I N 0.167 120.737 120.570 0.000 0.000 2.532 458 I HA 0.727 4.897 4.170 -0.000 0.000 0.292 458 I C -0.165 175.956 176.117 0.007 0.000 1.014 458 I CA -0.824 60.480 61.300 0.008 0.000 1.340 458 I CB 1.028 39.028 38.000 -0.000 0.000 1.422 458 I HN 0.436 nan 8.210 nan 0.000 0.528 459 K N 6.221 126.630 120.400 0.015 0.000 2.413 459 K HA 0.669 4.989 4.320 -0.000 0.000 0.257 459 K C -1.810 174.797 176.600 0.011 0.000 0.946 459 K CA -0.512 55.782 56.287 0.012 0.000 0.823 459 K CB 1.423 33.933 32.500 0.016 0.000 1.109 459 K HN 0.789 nan 8.250 nan 0.000 0.427 460 L N 3.697 124.921 121.223 0.001 0.000 2.365 460 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 460 L C -0.856 176.002 176.870 -0.020 0.000 1.000 460 L CA -0.884 53.955 54.840 -0.003 0.000 0.819 460 L CB 2.089 44.145 42.059 -0.005 0.000 1.284 460 L HN 0.606 nan 8.230 nan 0.000 0.418 461 K N 2.097 122.468 120.400 -0.048 0.000 2.565 461 K HA 0.379 4.699 4.320 -0.000 0.000 0.249 461 K C -0.817 175.712 176.600 -0.118 0.000 0.958 461 K CA -0.704 55.536 56.287 -0.077 0.000 0.806 461 K CB 1.215 33.654 32.500 -0.102 0.000 1.194 461 K HN 0.454 nan 8.250 nan 0.000 0.434 462 N N 1.287 119.935 118.700 -0.088 0.000 2.207 462 N HA -0.096 4.643 4.740 -0.000 0.000 0.220 462 N C 0.996 176.382 175.510 -0.208 0.000 1.303 462 N CA -0.007 52.986 53.050 -0.096 0.000 0.875 462 N CB 0.419 38.880 38.487 -0.044 0.000 1.094 462 N HN 0.353 nan 8.380 nan 0.000 0.435 463 V N 0.277 120.092 119.914 -0.164 0.000 3.041 463 V HA -0.065 4.055 4.120 -0.000 0.000 0.260 463 V C 1.171 177.133 176.094 -0.219 0.000 1.105 463 V CA 1.058 63.217 62.300 -0.236 0.000 1.125 463 V CB -0.514 31.251 31.823 -0.097 0.000 0.730 463 V HN 0.542 nan 8.190 nan 0.000 0.479 464 N N 0.061 118.729 118.700 -0.052 0.000 2.383 464 N HA 0.098 4.838 4.740 -0.000 0.000 0.192 464 N C 0.034 175.740 175.510 0.327 0.000 1.141 464 N CA 0.138 53.284 53.050 0.161 0.000 0.851 464 N CB 0.196 38.747 38.487 0.107 0.000 0.976 464 N HN 0.474 nan 8.380 nan 0.000 0.465 465 F N 0.541 120.503 119.950 0.019 0.000 3.056 465 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 465 F C 0.325 176.123 175.800 -0.003 0.000 0.907 465 F CA 0.322 58.334 58.000 0.020 0.000 1.113 465 F CB -2.145 36.890 39.000 0.058 0.000 1.123 465 F HN 0.051 nan 8.300 nan 0.000 0.661 466 E N -0.560 119.701 120.200 0.102 0.000 2.254 466 E HA 0.824 5.174 4.350 -0.000 0.000 0.258 466 E C -0.489 176.130 176.600 0.031 0.000 1.033 466 E CA -1.211 55.223 56.400 0.057 0.000 0.893 466 E CB 2.769 32.487 29.700 0.029 0.000 1.204 466 E HN 0.005 nan 8.360 nan 0.000 0.425 467 V N 1.729 121.655 119.914 0.020 0.000 2.559 467 V HA 0.160 4.280 4.120 -0.000 0.000 0.289 467 V C -0.848 175.248 176.094 0.003 0.000 1.036 467 V CA -0.928 61.379 62.300 0.011 0.000 0.887 467 V CB 1.347 33.183 31.823 0.021 0.000 1.022 467 V HN 0.542 nan 8.190 nan 0.000 0.442 468 K N 2.098 122.496 120.400 -0.003 0.000 2.144 468 K HA 0.689 5.009 4.320 -0.000 0.000 0.270 468 K C 0.214 176.812 176.600 -0.004 0.000 1.005 468 K CA -0.368 55.916 56.287 -0.005 0.000 0.932 468 K CB 1.287 33.782 32.500 -0.009 0.000 1.021 468 K HN 0.766 nan 8.250 nan 0.000 0.462 469 T N 0.166 114.717 114.554 -0.005 0.000 3.135 469 T HA 0.246 4.596 4.350 -0.000 0.000 0.357 469 T C -0.341 174.354 174.700 -0.009 0.000 1.112 469 T CA -1.190 60.907 62.100 -0.005 0.000 1.290 469 T CB 0.271 69.138 68.868 -0.002 0.000 1.018 469 T HN 0.299 nan 8.240 nan 0.000 0.527 470 R N 1.908 122.401 120.500 -0.011 0.000 2.590 470 R HA 0.767 5.107 4.340 -0.000 0.000 0.274 470 R C 0.237 176.527 176.300 -0.016 0.000 1.061 470 R CA -0.166 55.925 56.100 -0.014 0.000 1.081 470 R CB 0.761 31.051 30.300 -0.016 0.000 0.984 470 R HN 0.848 nan 8.270 nan 0.000 0.448 471 A N 0.582 123.391 122.820 -0.019 0.000 2.486 471 A HA 0.705 5.025 4.320 -0.000 0.000 0.289 471 A C -0.861 176.709 177.584 -0.023 0.000 1.176 471 A CA -0.537 51.487 52.037 -0.022 0.000 0.757 471 A CB 2.189 21.174 19.000 -0.026 0.000 1.337 471 A HN 0.564 nan 8.150 nan 0.000 0.423 472 S N -1.020 114.665 115.700 -0.025 0.000 2.548 472 S HA 0.643 5.112 4.470 -0.000 0.000 0.278 472 S C -1.080 173.504 174.600 -0.026 0.000 1.150 472 S CA -0.029 58.157 58.200 -0.024 0.000 0.907 472 S CB 1.706 64.892 63.200 -0.023 0.000 1.108 472 S HN 1.217 nan 8.310 nan 0.000 0.459 473 T N 2.699 117.238 114.554 -0.025 0.000 2.887 473 T HA 0.776 5.126 4.350 -0.000 0.000 0.288 473 T C -0.398 174.291 174.700 -0.018 0.000 1.021 473 T CA -0.260 61.824 62.100 -0.026 0.000 1.000 473 T CB 1.155 70.004 68.868 -0.032 0.000 1.034 473 T HN 1.134 nan 8.240 nan 0.000 0.467 474 V N 1.412 121.318 119.914 -0.013 0.000 3.103 474 V HA 0.735 4.855 4.120 -0.000 0.000 0.318 474 V C 0.963 177.055 176.094 -0.003 0.000 1.114 474 V CA -0.043 62.253 62.300 -0.006 0.000 1.020 474 V CB 1.519 33.342 31.823 -0.000 0.000 1.085 474 V HN 0.926 nan 8.190 nan 0.000 0.446 475 S N -0.555 115.145 115.700 0.000 0.000 2.478 475 S HA 0.043 4.513 4.470 -0.000 0.000 0.222 475 S C 1.474 176.079 174.600 0.008 0.000 1.008 475 S CA 0.772 58.973 58.200 0.002 0.000 0.928 475 S CB 0.019 63.220 63.200 0.002 0.000 0.781 475 S HN 0.762 nan 8.310 nan 0.000 0.518 476 S N 0.349 116.056 115.700 0.011 0.000 2.291 476 S HA 0.570 5.040 4.470 -0.000 0.000 0.185 476 S C 0.242 174.856 174.600 0.025 0.000 0.996 476 S CA 0.554 58.765 58.200 0.017 0.000 0.997 476 S CB 0.114 63.324 63.200 0.017 0.000 0.899 476 S HN 0.474 nan 8.310 nan 0.000 0.493 477 V N -0.130 119.802 119.914 0.030 0.000 2.694 477 V HA 0.318 4.438 4.120 -0.000 0.000 0.271 477 V C -2.125 173.997 176.094 0.047 0.000 1.837 477 V CA -0.690 61.638 62.300 0.046 0.000 0.848 477 V CB 1.248 33.102 31.823 0.053 0.000 1.369 477 V HN 0.232 nan 8.190 nan 0.000 0.403 478 V N 3.235 123.186 119.914 0.063 0.000 3.120 478 V HA 0.815 4.935 4.120 -0.000 0.000 0.303 478 V C 0.179 176.320 176.094 0.078 0.000 1.238 478 V CA 0.441 62.777 62.300 0.060 0.000 1.008 478 V CB 2.197 34.051 31.823 0.053 0.000 1.064 478 V HN 1.418 nan 8.190 nan 0.000 0.434 479 S N -0.419 115.321 115.700 0.066 0.000 2.551 479 S HA 0.102 4.572 4.470 -0.000 0.000 0.276 479 S C 0.460 175.095 174.600 0.057 0.000 1.051 479 S CA 0.489 58.729 58.200 0.067 0.000 1.377 479 S CB 0.507 63.737 63.200 0.051 0.000 1.208 479 S HN 1.146 nan 8.310 nan 0.000 0.656 480 T N -0.042 114.545 114.554 0.054 0.000 2.922 480 T HA 0.786 5.136 4.350 -0.000 0.000 0.285 480 T C 1.546 176.285 174.700 0.065 0.000 1.005 480 T CA -0.027 62.103 62.100 0.050 0.000 1.061 480 T CB 1.401 70.295 68.868 0.043 0.000 1.007 480 T HN 0.491 nan 8.240 nan 0.000 0.502 481 A N 1.714 124.568 122.820 0.056 0.000 1.948 481 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 481 A C 2.116 179.765 177.584 0.108 0.000 1.177 481 A CA 1.993 54.070 52.037 0.067 0.000 0.636 481 A CB -0.948 18.069 19.000 0.028 0.000 0.815 481 A HN 0.921 nan 8.150 nan 0.000 0.449 482 E N -0.205 120.051 120.200 0.092 0.000 2.051 482 E HA -0.066 4.284 4.350 -0.000 0.000 0.189 482 E C 2.002 178.684 176.600 0.137 0.000 0.979 482 E CA 1.242 57.718 56.400 0.126 0.000 0.803 482 E CB -0.255 29.494 29.700 0.082 0.000 0.761 482 E HN 0.746 nan 8.360 nan 0.000 0.451 483 E N 0.384 120.640 120.200 0.092 0.000 2.058 483 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 483 E C 2.112 178.757 176.600 0.076 0.000 0.997 483 E CA 1.016 57.458 56.400 0.071 0.000 0.801 483 E CB -0.184 29.550 29.700 0.056 0.000 0.746 483 E HN 0.245 nan 8.360 nan 0.000 0.450 484 I N 0.408 121.036 120.570 0.097 0.000 2.113 484 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 484 I C 2.329 178.517 176.117 0.118 0.000 1.070 484 I CA 1.016 62.374 61.300 0.098 0.000 1.332 484 I CB -0.250 37.817 38.000 0.111 0.000 1.044 484 I HN 0.064 nan 8.210 nan 0.000 0.402 485 F N 1.853 121.824 119.950 0.034 0.000 2.307 485 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 485 F C 2.329 178.155 175.800 0.044 0.000 1.076 485 F CA 0.854 58.879 58.000 0.042 0.000 1.383 485 F CB -0.359 38.666 39.000 0.042 0.000 1.055 485 F HN 0.035 nan 8.300 nan 0.000 0.526 486 A N 1.002 123.826 122.820 0.007 0.000 1.873 486 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 486 A C 2.324 179.819 177.584 -0.148 0.000 1.193 486 A CA 2.397 54.391 52.037 -0.072 0.000 0.629 486 A CB -1.095 17.909 19.000 0.006 0.000 0.826 486 A HN 0.482 nan 8.150 nan 0.000 0.447 487 I N -0.882 119.634 120.570 -0.091 0.000 2.277 487 I HA -0.133 4.037 4.170 -0.000 0.000 0.243 487 I C 2.981 179.031 176.117 -0.110 0.000 1.094 487 I CA 0.893 62.147 61.300 -0.076 0.000 1.393 487 I CB -0.672 37.309 38.000 -0.031 0.000 1.078 487 I HN 0.339 nan 8.210 nan 0.000 0.417 488 A N 1.582 124.333 122.820 -0.116 0.000 1.948 488 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 488 A C 2.610 180.057 177.584 -0.228 0.000 1.177 488 A CA 2.844 54.811 52.037 -0.117 0.000 0.636 488 A CB -0.982 18.006 19.000 -0.019 0.000 0.815 488 A HN 0.422 nan 8.150 nan 0.000 0.449 489 K N -0.378 119.720 120.400 -0.505 0.000 2.097 489 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 489 K C 1.811 178.334 176.600 -0.129 0.000 1.049 489 K CA 1.833 57.843 56.287 -0.461 0.000 0.933 489 K CB -0.594 31.431 32.500 -0.791 0.000 0.717 489 K HN 0.605 nan 8.250 nan 0.000 0.442 490 E N 0.287 120.409 120.200 -0.129 0.000 2.076 490 E HA 0.030 4.380 4.350 -0.000 0.000 0.190 490 E C 2.204 178.783 176.600 -0.035 0.000 0.979 490 E CA 0.835 57.204 56.400 -0.053 0.000 0.807 490 E CB -0.169 29.499 29.700 -0.054 0.000 0.761 490 E HN 0.552 nan 8.360 nan 0.000 0.454 491 L N 0.515 121.707 121.223 -0.052 0.000 2.046 491 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 491 L C 2.567 179.413 176.870 -0.040 0.000 1.077 491 L CA 0.633 55.449 54.840 -0.039 0.000 0.747 491 L CB -0.342 41.693 42.059 -0.039 0.000 0.896 491 L HN 0.137 nan 8.230 nan 0.000 0.432 492 L N -0.086 121.100 121.223 -0.062 0.000 2.056 492 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 492 L C 2.577 179.399 176.870 -0.079 0.000 1.078 492 L CA 1.736 56.516 54.840 -0.100 0.000 0.749 492 L CB -0.631 41.312 42.059 -0.192 0.000 0.901 492 L HN 0.101 nan 8.230 nan 0.000 0.433 493 K N -0.890 119.513 120.400 0.005 0.000 2.009 493 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 493 K C 1.893 178.521 176.600 0.046 0.000 1.049 493 K CA 2.138 58.485 56.287 0.101 0.000 0.929 493 K CB -0.436 32.154 32.500 0.148 0.000 0.714 493 K HN 0.409 nan 8.250 nan 0.000 0.440 494 T N 1.848 116.413 114.554 0.019 0.000 2.699 494 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 494 T C 1.563 176.266 174.700 0.006 0.000 1.036 494 T CA 1.423 63.529 62.100 0.011 0.000 1.147 494 T CB -0.117 68.751 68.868 -0.000 0.000 0.862 494 T HN 0.307 nan 8.240 nan 0.000 0.446 495 E N 0.435 120.631 120.200 -0.006 0.000 2.208 495 E HA 0.086 4.436 4.350 -0.000 0.000 0.193 495 E C 2.158 178.756 176.600 -0.004 0.000 0.988 495 E CA 0.417 56.812 56.400 -0.009 0.000 0.828 495 E CB -0.314 29.373 29.700 -0.022 0.000 0.763 495 E HN 0.475 nan 8.360 nan 0.000 0.478 496 I N 1.267 121.833 120.570 -0.006 0.000 2.353 496 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 496 I C 1.595 177.734 176.117 0.038 0.000 1.119 496 I CA 1.053 62.360 61.300 0.012 0.000 1.417 496 I CB 0.177 38.186 38.000 0.015 0.000 1.078 496 I HN -0.092 nan 8.210 nan 0.000 0.421 497 D N 0.661 121.084 120.400 0.038 0.000 2.091 497 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 497 D C 2.215 178.535 176.300 0.035 0.000 0.980 497 D CA 1.418 55.442 54.000 0.039 0.000 0.831 497 D CB -0.330 40.491 40.800 0.035 0.000 0.987 497 D HN 0.296 nan 8.370 nan 0.000 0.460 498 A N 0.443 123.279 122.820 0.026 0.000 2.194 498 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 498 A C 1.271 178.876 177.584 0.036 0.000 1.162 498 A CA 1.694 53.746 52.037 0.024 0.000 0.674 498 A CB -0.208 18.799 19.000 0.013 0.000 0.789 498 A HN 0.069 nan 8.150 nan 0.000 0.470 499 D N -2.641 117.788 120.400 0.049 0.000 2.455 499 D HA 0.269 4.909 4.640 -0.000 0.000 0.228 499 D C 0.909 177.287 176.300 0.131 0.000 1.070 499 D CA 0.599 54.648 54.000 0.082 0.000 0.881 499 D CB -0.396 40.444 40.800 0.066 0.000 1.087 499 D HN 0.321 nan 8.370 nan 0.000 0.498 500 F N 2.310 122.308 119.950 0.081 0.000 2.594 500 F HA 0.084 4.611 4.527 -0.000 0.000 0.384 500 F C -0.778 175.052 175.800 0.050 0.000 1.060 500 F CA -0.493 57.539 58.000 0.055 0.000 1.278 500 F CB -0.735 38.287 39.000 0.036 0.000 0.977 500 F HN -0.035 nan 8.300 nan 0.000 0.576 501 P HA 0.037 nan 4.420 nan 0.000 0.249 501 P C -0.439 176.784 177.300 -0.129 0.000 1.229 501 P CA 0.571 63.614 63.100 -0.095 0.000 0.788 501 P CB -0.534 31.073 31.700 -0.154 0.000 1.072 502 H N 3.137 122.214 119.070 0.011 0.000 2.955 502 H HA 0.172 4.728 4.556 -0.000 0.000 0.290 502 H C -1.761 173.573 175.328 0.010 0.000 1.047 502 H CA -1.303 54.751 56.048 0.010 0.000 1.484 502 H CB -0.025 29.741 29.762 0.008 0.000 1.501 502 H HN 0.211 nan 8.280 nan 0.000 0.521 503 P HA 0.022 nan 4.420 nan 0.000 0.275 503 P C -0.399 176.940 177.300 0.066 0.000 1.227 503 P CA -0.374 62.767 63.100 0.068 0.000 0.781 503 P CB 1.075 32.803 31.700 0.047 0.000 0.906 504 L N 3.907 125.155 121.223 0.041 0.000 2.477 504 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 504 L C 1.313 178.202 176.870 0.032 0.000 1.157 504 L CA 0.163 55.020 54.840 0.027 0.000 0.889 504 L CB -0.274 41.790 42.059 0.008 0.000 1.158 504 L HN 0.197 nan 8.230 nan 0.000 0.473 505 R N 4.389 124.906 120.500 0.028 0.000 2.280 505 R HA 0.454 4.793 4.340 -0.000 0.000 0.326 505 R C -1.113 175.200 176.300 0.021 0.000 1.080 505 R CA -0.882 55.236 56.100 0.030 0.000 1.002 505 R CB 0.639 30.952 30.300 0.021 0.000 1.136 505 R HN 0.310 nan 8.270 nan 0.000 0.509 506 L N 3.171 124.438 121.223 0.072 0.000 2.322 506 L HA 0.391 4.731 4.340 -0.000 0.000 0.279 506 L C 1.489 178.402 176.870 0.072 0.000 1.036 506 L CA -0.186 54.705 54.840 0.085 0.000 0.807 506 L CB 1.439 43.631 42.059 0.222 0.000 1.226 506 L HN 0.559 nan 8.230 nan 0.000 0.433 507 R N 2.449 122.799 120.500 -0.251 0.000 2.419 507 R HA 0.357 4.697 4.340 -0.000 0.000 0.235 507 R C -0.635 174.879 176.300 -1.309 0.000 0.899 507 R CA -0.142 55.599 56.100 -0.599 0.000 1.048 507 R CB 0.761 30.780 30.300 -0.468 0.000 1.182 507 R HN 0.363 nan 8.270 nan 0.000 0.544 508 L N 1.265 121.940 121.223 -0.914 0.000 2.482 508 L HA 0.593 4.933 4.340 -0.000 0.000 0.263 508 L C -1.989 174.757 176.870 -0.207 0.000 0.957 508 L CA -0.875 53.552 54.840 -0.689 0.000 0.836 508 L CB 2.173 44.027 42.059 -0.342 0.000 1.324 508 L HN 0.249 nan 8.230 nan 0.000 0.406 509 M N 2.729 122.351 119.600 0.037 0.000 2.550 509 M HA 0.808 5.288 4.480 -0.000 0.000 0.292 509 M C -0.896 175.466 176.300 0.104 0.000 1.221 509 M CA -0.296 55.087 55.300 0.138 0.000 0.873 509 M CB 2.578 35.334 32.600 0.260 0.000 1.727 509 M HN 0.882 nan 8.290 nan 0.000 0.459 510 G N 1.645 110.489 108.800 0.072 0.000 2.704 510 G HA2 0.689 4.649 3.960 -0.000 0.000 0.293 510 G HA3 0.689 4.649 3.960 -0.000 0.000 0.293 510 G C -2.236 172.699 174.900 0.058 0.000 1.421 510 G CA -0.540 44.598 45.100 0.064 0.000 0.870 510 G HN 0.659 nan 8.290 nan 0.000 0.492 511 V N 0.387 120.337 119.914 0.061 0.000 2.789 511 V HA 0.804 4.924 4.120 -0.000 0.000 0.311 511 V C -0.243 175.884 176.094 0.055 0.000 1.073 511 V CA -0.984 61.352 62.300 0.059 0.000 0.921 511 V CB 2.017 33.887 31.823 0.079 0.000 1.009 511 V HN 0.913 nan 8.190 nan 0.000 0.426 512 R N 3.236 123.763 120.500 0.045 0.000 2.564 512 R HA 0.652 4.992 4.340 -0.000 0.000 0.284 512 R C -2.074 174.244 176.300 0.031 0.000 1.031 512 R CA -0.574 55.552 56.100 0.043 0.000 0.904 512 R CB 2.397 32.714 30.300 0.028 0.000 1.199 512 R HN 0.829 nan 8.270 nan 0.000 0.443 513 I N 3.119 123.722 120.570 0.055 0.000 2.460 513 I HA 0.480 4.650 4.170 -0.000 0.000 0.298 513 I C -0.711 175.356 176.117 -0.083 0.000 0.989 513 I CA -0.040 61.280 61.300 0.033 0.000 1.173 513 I CB 1.682 39.762 38.000 0.134 0.000 1.338 513 I HN 0.935 nan 8.210 nan 0.000 0.456 514 S N 2.887 118.398 115.700 -0.315 0.000 0.000 514 S HA 0.524 4.994 4.470 -0.000 0.000 0.000 514 S C -0.480 173.675 174.600 -0.742 0.000 0.000 514 S CA -0.187 57.611 58.200 -0.670 0.000 0.000 514 S CB 1.123 64.130 63.200 -0.321 0.000 0.000 514 S HN 1.512 nan 8.310 nan 0.000 0.000 515 S N -0.635 114.649 115.700 -0.694 0.000 3.530 515 S HA -0.146 4.324 4.470 -0.000 0.000 0.472 515 S C -0.413 173.973 174.600 -0.357 0.000 0.818 515 S CA 0.037 57.999 58.200 -0.396 0.000 1.367 515 S CB -2.805 60.277 63.200 -0.197 0.000 0.912 515 S HN 0.912 nan 8.310 nan 0.000 0.672 516 F N 1.817 121.770 119.950 0.006 0.000 2.379 516 F HA 0.514 5.041 4.527 -0.000 0.000 0.332 516 F C -0.599 175.204 175.800 0.005 0.000 1.096 516 F CA -2.711 55.293 58.000 0.007 0.000 1.105 516 F CB 0.589 39.594 39.000 0.008 0.000 1.189 516 F HN 0.160 nan 8.300 nan 0.000 0.515 517 P HA -0.158 nan 4.420 nan 0.000 0.223 517 P C -0.466 176.888 177.300 0.091 0.000 1.144 517 P CA 0.914 64.079 63.100 0.107 0.000 0.783 517 P CB -0.362 31.389 31.700 0.084 0.000 0.771 518 N N 0.000 118.771 118.700 0.118 0.000 1.763 518 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 518 N CA 0.000 53.099 53.050 0.082 0.000 0.885 518 N CB 0.000 38.535 38.487 0.081 0.000 1.341 518 N HN 0.000 nan 8.380 nan 0.000 0.667