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 2vjd_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.641 174.600 0.068 0.000 1.055 4 S CA 0.000 58.226 58.200 0.043 0.000 1.107 4 S CB 0.000 63.230 63.200 0.049 0.000 0.593 5 E N 0.500 120.749 120.200 0.081 0.000 2.285 5 E HA 0.102 4.452 4.350 0.000 0.000 0.194 5 E C 1.099 177.827 176.600 0.214 0.000 0.997 5 E CA 0.747 57.221 56.400 0.124 0.000 0.845 5 E CB -0.008 29.754 29.700 0.103 0.000 0.782 5 E HN 0.617 nan 8.360 nan 0.000 0.491 6 L N 0.443 121.765 121.223 0.165 0.000 2.556 6 L HA 0.247 4.587 4.340 0.000 0.000 0.226 6 L C 0.742 177.797 176.870 0.309 0.000 1.089 6 L CA -0.118 54.833 54.840 0.186 0.000 0.864 6 L CB 0.610 42.678 42.059 0.014 0.000 1.067 6 L HN 0.092 nan 8.230 nan 0.000 0.477 7 L N 1.723 123.067 121.223 0.202 0.000 2.262 7 L HA 0.471 4.812 4.340 0.000 0.000 0.288 7 L C -1.094 175.830 176.870 0.090 0.000 1.035 7 L CA -0.332 54.609 54.840 0.168 0.000 0.820 7 L CB 1.406 43.523 42.059 0.097 0.000 1.204 7 L HN -0.219 nan 8.230 nan 0.000 0.424 8 V N 3.644 123.596 119.914 0.062 0.000 2.604 8 V HA 0.372 4.492 4.120 0.000 0.000 0.305 8 V C -0.548 175.466 176.094 -0.133 0.000 1.043 8 V CA -0.859 61.334 62.300 -0.178 0.000 0.888 8 V CB 2.156 33.605 31.823 -0.624 0.000 0.995 8 V HN 0.691 nan 8.190 nan 0.000 0.429 9 N N 2.421 120.972 118.700 -0.249 0.000 2.485 9 N HA 0.474 5.214 4.740 0.000 0.000 0.243 9 N C 0.129 175.374 175.510 -0.441 0.000 0.987 9 N CA -0.361 52.530 53.050 -0.265 0.000 0.940 9 N CB 1.324 39.635 38.487 -0.293 0.000 1.122 9 N HN 0.891 nan 8.380 nan 0.000 0.509 10 T N -1.462 112.978 114.554 -0.190 0.000 2.862 10 T HA 0.283 4.633 4.350 0.000 0.000 0.276 10 T C 0.999 175.597 174.700 -0.170 0.000 0.974 10 T CA -0.678 61.377 62.100 -0.075 0.000 0.966 10 T CB 1.173 70.192 68.868 0.253 0.000 1.072 10 T HN 0.272 nan 8.240 nan 0.000 0.538 11 K N 0.128 120.504 120.400 -0.040 0.000 2.515 11 K HA 0.046 4.367 4.320 0.000 0.000 0.196 11 K C 1.607 178.115 176.600 -0.153 0.000 1.038 11 K CA 0.516 56.757 56.287 -0.077 0.000 0.967 11 K CB -0.018 32.486 32.500 0.006 0.000 0.780 11 K HN 0.417 nan 8.250 nan 0.000 0.483 12 S N -0.442 115.117 115.700 -0.236 0.000 2.526 12 S HA 0.215 4.686 4.470 0.000 0.000 0.220 12 S C 0.353 174.246 174.600 -1.180 0.000 1.017 12 S CA 0.129 58.036 58.200 -0.488 0.000 0.930 12 S CB 1.299 64.334 63.200 -0.275 0.000 0.856 12 S HN 0.527 nan 8.310 nan 0.000 0.497 13 G N 1.064 109.297 108.800 -0.946 0.000 2.356 13 G HA2 0.203 4.163 3.960 0.000 0.000 0.300 13 G HA3 0.203 4.163 3.960 0.000 0.000 0.300 13 G C -1.951 172.836 174.900 -0.188 0.000 1.331 13 G CA -1.101 43.408 45.100 -0.985 0.000 0.905 13 G HN 0.096 nan 8.290 nan 0.000 0.587 14 K N -0.715 119.785 120.400 0.167 0.000 2.118 14 K HA 0.662 4.982 4.320 0.000 0.000 0.264 14 K C 0.054 177.022 176.600 0.614 0.000 1.000 14 K CA -0.530 55.948 56.287 0.318 0.000 0.929 14 K CB 1.932 34.563 32.500 0.217 0.000 1.021 14 K HN 1.105 nan 8.250 nan 0.000 0.463 15 V N -0.631 119.565 119.914 0.471 0.000 2.760 15 V HA 0.561 4.681 4.120 0.000 0.000 0.309 15 V C -1.117 175.243 176.094 0.443 0.000 1.077 15 V CA -1.091 61.528 62.300 0.532 0.000 0.910 15 V CB 1.725 33.907 31.823 0.597 0.000 1.008 15 V HN 0.742 nan 8.190 nan 0.000 0.424 16 M N 4.880 124.706 119.600 0.376 0.000 2.072 16 M HA 0.831 5.311 4.480 0.000 0.000 0.331 16 M C 0.348 176.751 176.300 0.172 0.000 1.004 16 M CA 0.139 55.592 55.300 0.254 0.000 0.952 16 M CB 0.637 33.325 32.600 0.147 0.000 1.511 16 M HN 1.145 nan 8.290 nan 0.000 0.422 17 G N 1.791 110.606 108.800 0.026 0.000 2.494 17 G HA2 0.566 4.527 3.960 0.000 0.000 0.270 17 G HA3 0.566 4.527 3.960 0.000 0.000 0.270 17 G C -0.985 173.706 174.900 -0.348 0.000 1.423 17 G CA -0.243 44.532 45.100 -0.542 0.000 1.055 17 G HN 0.706 nan 8.290 nan 0.000 0.536 18 T N -1.611 112.687 114.554 -0.426 0.000 2.993 18 T HA 0.453 4.803 4.350 0.000 0.000 0.312 18 T C -0.653 173.934 174.700 -0.187 0.000 1.115 18 T CA -0.674 61.288 62.100 -0.229 0.000 1.027 18 T CB 1.345 70.107 68.868 -0.176 0.000 1.116 18 T HN 0.574 nan 8.240 nan 0.000 0.464 19 R N 3.321 123.761 120.500 -0.100 0.000 2.370 19 R HA 0.544 4.884 4.340 0.000 0.000 0.309 19 R C -0.062 176.250 176.300 0.021 0.000 1.059 19 R CA -0.303 55.778 56.100 -0.031 0.000 0.981 19 R CB 0.070 30.351 30.300 -0.031 0.000 0.972 19 R HN 0.574 nan 8.270 nan 0.000 0.437 20 V N 2.913 122.861 119.914 0.057 0.000 2.715 20 V HA 0.711 4.832 4.120 0.000 0.000 0.310 20 V C -2.436 173.682 176.094 0.041 0.000 1.054 20 V CA -2.679 59.652 62.300 0.051 0.000 0.928 20 V CB 1.736 33.575 31.823 0.026 0.000 1.007 20 V HN 0.747 nan 8.190 nan 0.000 0.437 21 P HA 0.429 nan 4.420 nan 0.000 0.279 21 P C -0.923 176.185 177.300 -0.320 0.000 1.239 21 P CA -0.208 62.685 63.100 -0.345 0.000 0.789 21 P CB 1.983 33.531 31.700 -0.253 0.000 0.933 22 V N 5.669 125.322 119.914 -0.435 0.000 2.719 22 V HA 0.163 4.283 4.120 0.000 0.000 0.289 22 V C -0.276 175.537 176.094 -0.468 0.000 1.167 22 V CA -0.748 61.301 62.300 -0.418 0.000 0.929 22 V CB 0.404 31.941 31.823 -0.478 0.000 1.050 22 V HN 0.506 nan 8.190 nan 0.000 0.448 23 L N 6.242 127.322 121.223 -0.238 0.000 3.746 23 L HA -0.175 4.166 4.340 0.000 0.000 0.542 23 L C 0.862 177.612 176.870 -0.199 0.000 1.268 23 L CA 0.904 55.645 54.840 -0.165 0.000 0.818 23 L CB -1.575 40.416 42.059 -0.114 0.000 1.472 23 L HN 1.699 nan 8.230 nan 0.000 0.843 24 S N -1.898 113.694 115.700 -0.180 0.000 3.628 24 S HA -0.157 4.313 4.470 0.000 0.000 0.373 24 S C 0.086 174.591 174.600 -0.159 0.000 0.968 24 S CA 1.145 59.262 58.200 -0.139 0.000 1.215 24 S CB -1.073 62.096 63.200 -0.052 0.000 0.912 24 S HN 1.371 nan 8.310 nan 0.000 0.495 25 S N -0.277 115.219 115.700 -0.340 0.000 2.715 25 S HA 0.737 5.207 4.470 0.000 0.000 0.284 25 S C -1.710 172.537 174.600 -0.589 0.000 1.216 25 S CA -0.343 57.711 58.200 -0.244 0.000 0.970 25 S CB 0.567 63.672 63.200 -0.158 0.000 1.273 25 S HN 0.985 nan 8.310 nan 0.000 0.509 26 H N -0.128 118.889 119.070 -0.088 0.000 2.990 26 H HA 0.839 5.396 4.556 0.000 0.000 0.336 26 H C -0.571 174.775 175.328 0.030 0.000 1.306 26 H CA -0.107 55.910 56.048 -0.051 0.000 1.118 26 H CB 1.279 31.032 29.762 -0.014 0.000 1.856 26 H HN 0.817 nan 8.280 nan 0.000 0.538 27 I N -2.616 118.064 120.570 0.183 0.000 3.181 27 I HA 0.673 4.843 4.170 0.000 0.000 0.311 27 I C -1.201 175.014 176.117 0.163 0.000 1.287 27 I CA -0.980 60.442 61.300 0.203 0.000 0.958 27 I CB 2.516 40.662 38.000 0.244 0.000 1.294 27 I HN 0.419 nan 8.210 nan 0.000 0.467 28 S N 1.699 117.507 115.700 0.180 0.000 2.562 28 S HA 0.811 5.281 4.470 0.000 0.000 0.275 28 S C -0.222 174.386 174.600 0.013 0.000 1.281 28 S CA -0.402 57.837 58.200 0.065 0.000 1.045 28 S CB 1.399 64.717 63.200 0.198 0.000 0.962 28 S HN 0.870 nan 8.310 nan 0.000 0.503 29 A N 2.427 125.058 122.820 -0.314 0.000 2.375 29 A HA 0.729 5.049 4.320 0.000 0.000 0.295 29 A C -1.296 175.904 177.584 -0.640 0.000 1.066 29 A CA -0.643 51.139 52.037 -0.425 0.000 0.722 29 A CB 0.399 19.195 19.000 -0.339 0.000 1.206 29 A HN 0.644 nan 8.150 nan 0.000 0.435 30 F N 3.209 123.008 119.950 -0.253 0.000 2.311 30 F HA 0.453 4.980 4.527 0.000 0.000 0.371 30 F C -0.062 175.588 175.800 -0.251 0.000 1.083 30 F CA -0.464 57.465 58.000 -0.118 0.000 1.113 30 F CB 1.079 40.125 39.000 0.076 0.000 1.349 30 F HN 0.363 nan 8.300 nan 0.000 0.470 31 L N 2.263 123.393 121.223 -0.154 0.000 2.325 31 L HA 0.653 4.993 4.340 0.000 0.000 0.279 31 L C 1.003 177.861 176.870 -0.020 0.000 1.054 31 L CA -0.911 53.821 54.840 -0.180 0.000 0.804 31 L CB 1.311 43.150 42.059 -0.366 0.000 1.200 31 L HN 0.834 nan 8.230 nan 0.000 0.436 32 G N 3.435 112.254 108.800 0.031 0.000 2.298 32 G HA2 -0.254 3.706 3.960 0.000 0.000 0.287 32 G HA3 -0.254 3.706 3.960 0.000 0.000 0.287 32 G C -0.236 174.713 174.900 0.083 0.000 1.075 32 G CA -0.324 44.803 45.100 0.046 0.000 0.960 32 G HN 0.486 nan 8.290 nan 0.000 0.502 33 I N 2.145 122.705 120.570 -0.016 0.000 2.352 33 I HA 0.249 4.419 4.170 0.000 0.000 0.290 33 I C -1.396 174.526 176.117 -0.324 0.000 1.036 33 I CA -2.308 58.829 61.300 -0.273 0.000 1.336 33 I CB 1.393 39.224 38.000 -0.281 0.000 1.407 33 I HN 0.029 nan 8.210 nan 0.000 0.497 34 P HA 0.027 nan 4.420 nan 0.000 0.276 34 P C -0.288 176.682 177.300 -0.550 0.000 1.235 34 P CA 0.042 62.674 63.100 -0.779 0.000 0.772 34 P CB 0.597 31.747 31.700 -0.915 0.000 0.871 35 F N 1.169 120.795 119.950 -0.540 0.000 2.706 35 F HA 0.738 5.265 4.527 0.000 0.000 0.313 35 F C 0.003 175.713 175.800 -0.151 0.000 1.096 35 F CA -0.924 56.831 58.000 -0.408 0.000 1.219 35 F CB 0.065 38.758 39.000 -0.511 0.000 1.051 35 F HN 0.387 nan 8.300 nan 0.000 0.568 36 A N -0.152 122.395 122.820 -0.454 0.000 2.588 36 A HA 0.623 4.943 4.320 0.000 0.000 0.290 36 A C -1.084 176.334 177.584 -0.275 0.000 1.136 36 A CA -0.797 51.088 52.037 -0.254 0.000 0.681 36 A CB 0.966 19.789 19.000 -0.295 0.000 1.282 36 A HN 0.046 nan 8.150 nan 0.000 0.421 37 E N 0.935 121.053 120.200 -0.137 0.000 2.313 37 E HA 0.350 4.700 4.350 0.000 0.000 0.276 37 E C -2.403 174.110 176.600 -0.145 0.000 1.031 37 E CA -1.579 54.761 56.400 -0.100 0.000 0.857 37 E CB 0.479 30.164 29.700 -0.025 0.000 1.040 37 E HN 0.219 nan 8.360 nan 0.000 0.408 38 P HA -0.014 nan 4.420 nan 0.000 0.258 38 P C -2.228 175.015 177.300 -0.094 0.000 1.187 38 P CA -0.556 62.474 63.100 -0.117 0.000 0.767 38 P CB -0.087 31.584 31.700 -0.049 0.000 0.770 39 P HA 0.012 nan 4.420 nan 0.000 0.230 39 P C -0.303 176.935 177.300 -0.103 0.000 1.791 39 P CA 0.110 63.153 63.100 -0.095 0.000 1.020 39 P CB -0.031 31.609 31.700 -0.099 0.000 1.977 40 V N -1.773 118.093 119.914 -0.079 0.000 3.177 40 V HA 0.891 5.011 4.120 0.000 0.000 0.319 40 V C 1.050 177.111 176.094 -0.055 0.000 1.125 40 V CA 0.039 62.292 62.300 -0.078 0.000 1.029 40 V CB 0.703 32.489 31.823 -0.060 0.000 1.119 40 V HN 0.569 nan 8.190 nan 0.000 0.452 41 G N 1.643 110.416 108.800 -0.047 0.000 2.622 41 G HA2 -0.398 3.562 3.960 0.000 0.000 0.307 41 G HA3 -0.398 3.562 3.960 0.000 0.000 0.307 41 G C 0.559 175.452 174.900 -0.012 0.000 1.226 41 G CA 1.169 46.257 45.100 -0.020 0.000 0.997 41 G HN 1.101 nan 8.290 nan 0.000 0.551 42 N N 0.667 119.375 118.700 0.014 0.000 2.573 42 N HA 0.134 4.874 4.740 0.000 0.000 0.187 42 N C 2.133 177.660 175.510 0.028 0.000 1.107 42 N CA 1.120 54.195 53.050 0.042 0.000 0.918 42 N CB -0.098 38.422 38.487 0.054 0.000 0.966 42 N HN 0.515 nan 8.380 nan 0.000 0.448 43 M N -0.562 119.033 119.600 -0.008 0.000 2.495 43 M HA 0.073 4.553 4.480 0.000 0.000 0.237 43 M C 0.479 176.744 176.300 -0.059 0.000 1.131 43 M CA -0.104 55.186 55.300 -0.017 0.000 1.032 43 M CB 0.335 32.920 32.600 -0.023 0.000 1.513 43 M HN -0.012 nan 8.290 nan 0.000 0.488 44 R N 0.671 121.093 120.500 -0.130 0.000 2.489 44 R HA -0.006 4.334 4.340 0.000 0.000 0.287 44 R C -0.377 175.743 176.300 -0.299 0.000 1.053 44 R CA 0.604 56.490 56.100 -0.357 0.000 1.036 44 R CB 0.215 30.158 30.300 -0.594 0.000 0.966 44 R HN 0.247 nan 8.270 nan 0.000 0.432 45 F N -0.841 119.118 119.950 0.014 0.000 2.619 45 F HA -0.284 4.243 4.527 0.000 0.000 0.425 45 F C 0.587 176.366 175.800 -0.035 0.000 0.575 45 F CA 1.065 59.044 58.000 -0.035 0.000 1.289 45 F CB -1.474 37.491 39.000 -0.058 0.000 1.859 45 F HN 0.627 nan 8.300 nan 0.000 0.280 46 R N 1.420 121.986 120.500 0.109 0.000 2.500 46 R HA 0.523 4.863 4.340 0.000 0.000 0.277 46 R C 0.527 176.849 176.300 0.037 0.000 1.026 46 R CA -0.711 55.430 56.100 0.068 0.000 1.058 46 R CB 0.779 31.109 30.300 0.050 0.000 1.078 46 R HN 0.078 nan 8.270 nan 0.000 0.509 47 R N 2.878 123.400 120.500 0.037 0.000 2.697 47 R HA 0.021 4.362 4.340 0.000 0.000 0.265 47 R C -1.893 174.426 176.300 0.032 0.000 1.009 47 R CA -0.778 55.342 56.100 0.034 0.000 1.099 47 R CB -0.042 30.284 30.300 0.044 0.000 0.965 47 R HN 0.492 nan 8.270 nan 0.000 0.428 48 P HA 0.058 nan 4.420 nan 0.000 0.271 48 P C -0.881 176.449 177.300 0.049 0.000 1.218 48 P CA 0.016 63.139 63.100 0.040 0.000 0.780 48 P CB 0.922 32.671 31.700 0.082 0.000 0.901 49 E N 2.704 122.923 120.200 0.033 0.000 2.199 49 E HA 0.406 4.756 4.350 0.000 0.000 0.269 49 E C -2.318 174.314 176.600 0.054 0.000 0.899 49 E CA -2.912 53.514 56.400 0.043 0.000 0.772 49 E CB 1.007 30.725 29.700 0.030 0.000 1.155 49 E HN 0.318 nan 8.360 nan 0.000 0.408 50 P HA -0.042 nan 4.420 nan 0.000 0.265 50 P C -0.716 176.643 177.300 0.098 0.000 1.187 50 P CA -0.227 62.941 63.100 0.114 0.000 0.766 50 P CB 0.511 32.282 31.700 0.119 0.000 0.820 51 K N 3.892 124.363 120.400 0.119 0.000 2.436 51 K HA 0.030 4.350 4.320 0.000 0.000 0.282 51 K C 0.084 176.792 176.600 0.180 0.000 1.044 51 K CA 0.404 56.765 56.287 0.123 0.000 1.028 51 K CB -0.191 32.388 32.500 0.132 0.000 0.919 51 K HN 0.232 nan 8.250 nan 0.000 0.474 52 K N 6.076 126.575 120.400 0.165 0.000 2.350 52 K HA 0.125 4.445 4.320 0.000 0.000 0.279 52 K C -2.144 174.590 176.600 0.223 0.000 1.027 52 K CA -1.633 54.748 56.287 0.156 0.000 0.969 52 K CB 0.311 32.888 32.500 0.129 0.000 0.954 52 K HN 0.532 nan 8.250 nan 0.000 0.474 53 P HA -0.128 nan 4.420 nan 0.000 0.266 53 P C -1.260 176.127 177.300 0.145 0.000 1.186 53 P CA 0.350 63.428 63.100 -0.036 0.000 0.767 53 P CB 0.241 31.883 31.700 -0.097 0.000 0.820 54 W N 0.808 122.196 121.300 0.147 0.000 2.864 54 W HA 0.677 5.337 4.660 0.000 0.000 0.343 54 W C -0.877 175.724 176.519 0.137 0.000 1.109 54 W CA -0.973 56.475 57.345 0.171 0.000 1.192 54 W CB 0.204 29.841 29.460 0.296 0.000 1.426 54 W HN 0.355 nan 8.180 nan 0.000 0.529 55 S N 1.855 117.746 115.700 0.318 0.000 2.654 55 S HA 0.883 5.353 4.470 0.000 0.000 0.283 55 S C 0.419 175.202 174.600 0.305 0.000 1.180 55 S CA 0.003 58.322 58.200 0.198 0.000 1.021 55 S CB 0.989 64.263 63.200 0.124 0.000 1.018 55 S HN 2.197 nan 8.310 nan 0.000 0.532 56 G N -0.276 108.654 108.800 0.217 0.000 2.725 56 G HA2 -0.077 3.884 3.960 0.000 0.000 0.220 56 G HA3 -0.077 3.884 3.960 0.000 0.000 0.220 56 G C -0.886 174.208 174.900 0.323 0.000 1.357 56 G CA -0.451 44.776 45.100 0.212 0.000 0.866 56 G HN 1.558 nan 8.290 nan 0.000 0.548 57 V N 0.888 120.949 119.914 0.244 0.000 2.370 57 V HA 0.474 4.594 4.120 0.000 0.000 0.279 57 V C 0.389 176.632 176.094 0.248 0.000 1.029 57 V CA -0.541 61.934 62.300 0.292 0.000 0.870 57 V CB 1.694 33.626 31.823 0.181 0.000 0.984 57 V HN 0.691 nan 8.190 nan 0.000 0.451 58 W N 5.630 127.041 121.300 0.185 0.000 2.356 58 W HA 0.186 4.847 4.660 0.000 0.000 0.311 58 W C 0.383 176.907 176.519 0.008 0.000 1.328 58 W CA -0.441 56.868 57.345 -0.060 0.000 1.251 58 W CB 0.733 30.017 29.460 -0.293 0.000 1.280 58 W HN 0.630 nan 8.180 nan 0.000 0.524 59 N N 4.716 123.326 118.700 -0.150 0.000 2.406 59 N HA 0.124 4.864 4.740 0.000 0.000 0.265 59 N C -0.394 175.213 175.510 0.162 0.000 1.203 59 N CA 0.317 53.353 53.050 -0.023 0.000 0.945 59 N CB 0.822 39.208 38.487 -0.168 0.000 1.165 59 N HN 0.391 nan 8.380 nan 0.000 0.485 60 A N 2.870 125.826 122.820 0.227 0.000 3.106 60 A HA 0.170 4.490 4.320 0.000 0.000 0.306 60 A C 1.117 178.709 177.584 0.013 0.000 1.192 60 A CA -0.400 51.760 52.037 0.205 0.000 0.994 60 A CB -0.416 18.775 19.000 0.318 0.000 1.107 60 A HN 0.644 nan 8.150 nan 0.000 0.585 61 S N -0.888 114.789 115.700 -0.038 0.000 2.524 61 S HA 0.172 4.642 4.470 0.000 0.000 0.215 61 S C 0.730 175.239 174.600 -0.152 0.000 0.986 61 S CA 0.664 58.797 58.200 -0.112 0.000 0.911 61 S CB -0.221 62.926 63.200 -0.089 0.000 0.805 61 S HN 0.859 nan 8.310 nan 0.000 0.501 62 T N -1.164 113.311 114.554 -0.133 0.000 2.903 62 T HA 0.631 4.981 4.350 0.000 0.000 0.299 62 T C -0.868 173.763 174.700 -0.115 0.000 1.093 62 T CA -0.763 61.245 62.100 -0.153 0.000 1.002 62 T CB 0.640 69.456 68.868 -0.087 0.000 1.127 62 T HN 0.064 nan 8.240 nan 0.000 0.488 63 Y N 2.723 122.996 120.300 -0.046 0.000 2.652 63 Y HA 0.317 4.867 4.550 0.000 0.000 0.344 63 Y C -1.336 174.502 175.900 -0.102 0.000 1.254 63 Y CA -1.038 57.034 58.100 -0.047 0.000 1.480 63 Y CB 0.081 38.534 38.460 -0.012 0.000 1.345 63 Y HN 0.551 nan 8.280 nan 0.000 0.617 64 P HA 0.132 nan 4.420 nan 0.000 0.297 64 P C -0.748 176.490 177.300 -0.104 0.000 1.307 64 P CA -0.579 62.411 63.100 -0.184 0.000 0.773 64 P CB 0.966 32.431 31.700 -0.391 0.000 1.265 65 N N 0.128 118.738 118.700 -0.150 0.000 2.444 65 N HA 0.132 4.872 4.740 0.000 0.000 0.255 65 N C 0.001 175.488 175.510 -0.039 0.000 1.255 65 N CA 0.128 53.131 53.050 -0.077 0.000 0.933 65 N CB -0.091 38.355 38.487 -0.068 0.000 1.143 65 N HN 0.400 nan 8.380 nan 0.000 0.453 66 N N -0.732 117.937 118.700 -0.052 0.000 2.489 66 N HA 0.313 5.053 4.740 0.000 0.000 0.284 66 N C -0.336 175.139 175.510 -0.059 0.000 1.158 66 N CA -0.674 52.340 53.050 -0.059 0.000 0.965 66 N CB 1.006 39.434 38.487 -0.098 0.000 1.195 66 N HN 0.410 nan 8.380 nan 0.000 0.506 67 c N 0.926 119.490 118.600 -0.059 0.000 2.705 67 c HA 0.059 4.629 4.570 0.000 0.000 0.382 67 c C 0.600 174.626 174.090 -0.107 0.000 1.322 67 c CA -0.602 55.675 56.329 -0.087 0.000 2.290 67 c CB -0.044 42.434 42.510 -0.053 0.000 2.650 67 c HN 0.532 nan 8.230 nan 0.000 0.695 68 Q N 2.218 121.891 119.800 -0.212 0.000 2.311 68 Q HA 0.266 4.606 4.340 0.000 0.000 0.272 68 Q C -0.087 175.950 176.000 0.062 0.000 1.012 68 Q CA 0.833 56.533 55.803 -0.173 0.000 0.891 68 Q CB 0.595 29.014 28.738 -0.532 0.000 1.201 68 Q HN 0.878 nan 8.270 nan 0.000 0.391 69 Q N 1.285 121.170 119.800 0.142 0.000 2.575 69 Q HA 0.323 4.663 4.340 0.000 0.000 0.290 69 Q C -1.315 174.866 176.000 0.301 0.000 0.963 69 Q CA -1.032 54.924 55.803 0.256 0.000 0.783 69 Q CB 0.829 29.671 28.738 0.172 0.000 1.467 69 Q HN 0.480 nan 8.270 nan 0.000 0.402 70 Y N 1.052 121.541 120.300 0.314 0.000 2.511 70 Y HA 0.406 4.957 4.550 0.000 0.000 0.332 70 Y C -1.097 174.987 175.900 0.307 0.000 1.177 70 Y CA 0.128 58.443 58.100 0.359 0.000 1.422 70 Y CB 0.968 39.755 38.460 0.545 0.000 1.271 70 Y HN 0.430 nan 8.280 nan 0.000 0.550 71 V N 6.484 126.097 119.914 -0.501 0.000 2.417 71 V HA 0.131 4.251 4.120 0.000 0.000 0.291 71 V C -0.690 175.076 176.094 -0.547 0.000 1.024 71 V CA -1.054 61.045 62.300 -0.335 0.000 0.861 71 V CB 1.461 33.195 31.823 -0.149 0.000 0.985 71 V HN 0.786 nan 8.190 nan 0.000 0.436 72 D N 3.661 123.969 120.400 -0.152 0.000 2.346 72 D HA 0.123 4.763 4.640 0.000 0.000 0.260 72 D C 0.565 176.908 176.300 0.073 0.000 1.252 72 D CA 0.257 54.297 54.000 0.066 0.000 0.895 72 D CB 0.789 41.787 40.800 0.331 0.000 1.097 72 D HN 0.675 nan 8.370 nan 0.000 0.489 73 E N 2.671 122.887 120.200 0.026 0.000 2.651 73 E HA 0.021 4.372 4.350 0.000 0.000 0.208 73 E C 1.087 177.672 176.600 -0.026 0.000 0.997 73 E CA -0.276 56.135 56.400 0.018 0.000 1.020 73 E CB 0.616 30.308 29.700 -0.014 0.000 1.052 73 E HN 0.476 nan 8.360 nan 0.000 0.465 74 Q N -0.412 119.340 119.800 -0.081 0.000 2.084 74 Q HA -0.063 4.278 4.340 0.000 0.000 0.202 74 Q C -0.063 175.536 176.000 -0.669 0.000 0.978 74 Q CA 1.137 56.648 55.803 -0.487 0.000 0.844 74 Q CB 0.215 28.445 28.738 -0.847 0.000 0.898 74 Q HN 0.235 nan 8.270 nan 0.000 0.426 75 F N 0.315 120.339 119.950 0.124 0.000 2.686 75 F HA 0.362 4.889 4.527 0.000 0.000 0.365 75 F C -2.194 173.689 175.800 0.137 0.000 1.196 75 F CA -3.010 55.052 58.000 0.103 0.000 1.198 75 F CB 1.144 40.238 39.000 0.157 0.000 1.454 75 F HN -0.192 nan 8.300 nan 0.000 0.539 76 P HA 0.234 nan 4.420 nan 0.000 0.267 76 P C 0.995 178.379 177.300 0.139 0.000 1.209 76 P CA 0.987 64.168 63.100 0.137 0.000 0.763 76 P CB 0.956 32.701 31.700 0.076 0.000 0.816 77 G N 2.931 111.795 108.800 0.108 0.000 2.284 77 G HA2 -0.306 3.654 3.960 0.000 0.000 0.247 77 G HA3 -0.306 3.654 3.960 0.000 0.000 0.247 77 G C 0.097 175.061 174.900 0.105 0.000 1.012 77 G CA -0.341 44.805 45.100 0.077 0.000 0.618 77 G HN 0.543 nan 8.290 nan 0.000 0.521 78 F N 3.720 123.658 119.950 -0.021 0.000 2.502 78 F HA 0.481 5.008 4.527 0.000 0.000 0.371 78 F C 1.721 177.458 175.800 -0.105 0.000 1.083 78 F CA -0.139 57.798 58.000 -0.104 0.000 1.174 78 F CB 0.885 39.800 39.000 -0.142 0.000 1.096 78 F HN 0.297 nan 8.300 nan 0.000 0.545 79 S N 3.309 118.686 115.700 -0.539 0.000 2.399 79 S HA -0.115 4.355 4.470 0.000 0.000 0.231 79 S C 2.207 176.381 174.600 -0.710 0.000 1.022 79 S CA 0.867 58.752 58.200 -0.525 0.000 0.983 79 S CB -1.124 61.848 63.200 -0.381 0.000 0.803 79 S HN 0.794 nan 8.310 nan 0.000 0.480 80 G N 1.646 109.544 108.800 -1.505 0.000 2.432 80 G HA2 -0.139 3.821 3.960 0.000 0.000 0.219 80 G HA3 -0.139 3.821 3.960 0.000 0.000 0.219 80 G C 1.698 176.654 174.900 0.094 0.000 1.135 80 G CA 1.193 45.703 45.100 -0.984 0.000 0.767 80 G HN 0.792 nan 8.290 nan 0.000 0.550 81 S N -0.472 115.243 115.700 0.025 0.000 2.499 81 S HA 0.162 4.632 4.470 0.000 0.000 0.225 81 S C 1.830 176.668 174.600 0.396 0.000 1.050 81 S CA 0.784 59.395 58.200 0.684 0.000 0.928 81 S CB 0.141 63.883 63.200 0.902 0.000 0.803 81 S HN 0.357 nan 8.310 nan 0.000 0.506 82 E N 1.880 122.141 120.200 0.102 0.000 2.208 82 E HA -0.013 4.337 4.350 0.000 0.000 0.193 82 E C 2.060 178.582 176.600 -0.129 0.000 0.988 82 E CA 1.245 57.653 56.400 0.014 0.000 0.828 82 E CB -0.366 29.313 29.700 -0.035 0.000 0.763 82 E HN 0.825 nan 8.360 nan 0.000 0.478 83 M N -1.651 117.758 119.600 -0.318 0.000 2.629 83 M HA -0.083 4.397 4.480 0.000 0.000 0.257 83 M C 0.628 176.460 176.300 -0.780 0.000 1.071 83 M CA 1.278 56.217 55.300 -0.602 0.000 1.077 83 M CB -0.282 31.833 32.600 -0.808 0.000 1.423 83 M HN 0.057 nan 8.290 nan 0.000 0.508 84 W N 0.567 121.793 121.300 -0.123 0.000 3.058 84 W HA 0.302 4.962 4.660 0.000 0.000 0.306 84 W C 0.265 176.700 176.519 -0.141 0.000 1.188 84 W CA -0.915 56.331 57.345 -0.165 0.000 1.651 84 W CB 0.041 29.435 29.460 -0.109 0.000 1.051 84 W HN 0.094 nan 8.180 nan 0.000 0.592 85 N N 1.593 120.323 118.700 0.051 0.000 2.467 85 N HA 0.170 4.910 4.740 0.000 0.000 0.262 85 N C -2.492 172.974 175.510 -0.072 0.000 1.234 85 N CA -1.560 51.497 53.050 0.011 0.000 0.952 85 N CB -0.150 38.348 38.487 0.019 0.000 1.158 85 N HN -0.363 nan 8.380 nan 0.000 0.463 86 P HA 0.028 nan 4.420 nan 0.000 0.262 86 P C 0.160 177.398 177.300 -0.104 0.000 1.182 86 P CA 0.035 63.073 63.100 -0.104 0.000 0.761 86 P CB 0.233 31.885 31.700 -0.079 0.000 0.795 87 N N 4.012 122.634 118.700 -0.131 0.000 2.279 87 N HA 0.051 4.792 4.740 0.000 0.000 0.226 87 N C -0.109 175.351 175.510 -0.083 0.000 1.126 87 N CA -0.270 52.711 53.050 -0.114 0.000 0.846 87 N CB 0.128 38.528 38.487 -0.146 0.000 1.050 87 N HN 0.412 nan 8.380 nan 0.000 0.502 88 R N -2.143 118.311 120.500 -0.076 0.000 2.741 88 R HA 0.307 4.648 4.340 0.000 0.000 0.276 88 R C -1.293 174.974 176.300 -0.055 0.000 1.028 88 R CA -0.921 55.146 56.100 -0.055 0.000 0.865 88 R CB 0.352 30.625 30.300 -0.044 0.000 1.268 88 R HN -0.194 nan 8.270 nan 0.000 0.475 89 E N 1.430 121.602 120.200 -0.047 0.000 2.708 89 E HA -0.057 4.293 4.350 0.000 0.000 0.260 89 E C -0.483 176.085 176.600 -0.054 0.000 0.937 89 E CA 0.897 57.269 56.400 -0.047 0.000 0.953 89 E CB 0.433 30.105 29.700 -0.046 0.000 0.915 89 E HN 0.334 nan 8.360 nan 0.000 0.487 90 M N 2.255 121.823 119.600 -0.052 0.000 2.277 90 M HA 0.317 4.798 4.480 0.000 0.000 0.350 90 M C -0.113 176.141 176.300 -0.076 0.000 1.180 90 M CA -0.189 55.073 55.300 -0.064 0.000 1.103 90 M CB 1.578 34.145 32.600 -0.055 0.000 1.577 90 M HN 0.423 nan 8.290 nan 0.000 0.459 91 S N 0.594 116.235 115.700 -0.099 0.000 2.552 91 S HA 0.227 4.697 4.470 0.000 0.000 0.272 91 S C 0.036 174.537 174.600 -0.164 0.000 1.150 91 S CA -0.683 57.449 58.200 -0.113 0.000 0.849 91 S CB 1.515 64.675 63.200 -0.066 0.000 1.113 91 S HN 0.840 nan 8.310 nan 0.000 0.458 92 E N 0.854 120.927 120.200 -0.211 0.000 2.268 92 E HA -0.085 4.265 4.350 0.000 0.000 0.195 92 E C -0.305 176.202 176.600 -0.155 0.000 0.995 92 E CA 0.733 56.970 56.400 -0.272 0.000 0.836 92 E CB 0.061 29.586 29.700 -0.290 0.000 0.763 92 E HN 0.574 nan 8.360 nan 0.000 0.491 93 D N 0.083 120.436 120.400 -0.078 0.000 2.483 93 D HA 0.002 4.643 4.640 0.000 0.000 0.220 93 D C 0.043 176.410 176.300 0.112 0.000 1.173 93 D CA -0.337 53.661 54.000 -0.004 0.000 0.964 93 D CB 0.025 40.850 40.800 0.042 0.000 1.046 93 D HN 0.101 nan 8.370 nan 0.000 0.517 94 c N 2.709 121.342 118.600 0.055 0.000 3.626 94 c HA 0.381 4.951 4.570 0.000 0.000 0.276 94 c C 0.501 174.653 174.090 0.103 0.000 1.694 94 c CA -0.759 55.670 56.329 0.166 0.000 1.785 94 c CB -1.345 41.190 42.510 0.041 0.000 3.152 94 c HN 0.458 nan 8.230 nan 0.000 0.571 95 L N 2.548 123.581 121.223 -0.316 0.000 2.395 95 L HA 0.410 4.750 4.340 0.000 0.000 0.268 95 L C -0.774 175.353 176.870 -1.238 0.000 1.223 95 L CA 0.565 54.962 54.840 -0.738 0.000 1.093 95 L CB -0.692 40.792 42.059 -0.959 0.000 1.349 95 L HN 0.379 nan 8.230 nan 0.000 0.427 96 Y N 2.230 122.367 120.300 -0.271 0.000 2.665 96 Y HA 0.715 5.266 4.550 0.000 0.000 0.336 96 Y C -0.146 175.864 175.900 0.183 0.000 1.085 96 Y CA -1.262 56.764 58.100 -0.124 0.000 1.096 96 Y CB 1.821 40.227 38.460 -0.091 0.000 1.301 96 Y HN 0.197 nan 8.280 nan 0.000 0.493 97 L N -0.468 120.890 121.223 0.226 0.000 2.409 97 L HA 0.751 5.091 4.340 0.000 0.000 0.255 97 L C -1.447 175.445 176.870 0.037 0.000 1.027 97 L CA -1.203 53.713 54.840 0.127 0.000 0.834 97 L CB 1.891 43.924 42.059 -0.044 0.000 1.426 97 L HN 0.488 nan 8.230 nan 0.000 0.411 98 N N 1.199 119.933 118.700 0.056 0.000 2.272 98 N HA 0.774 5.514 4.740 0.000 0.000 0.305 98 N C -1.354 174.070 175.510 -0.144 0.000 1.103 98 N CA -0.271 52.718 53.050 -0.102 0.000 0.791 98 N CB 2.806 41.227 38.487 -0.110 0.000 1.356 98 N HN 0.652 nan 8.380 nan 0.000 0.486 99 I N 0.232 120.624 120.570 -0.296 0.000 2.619 99 I HA 0.414 4.584 4.170 0.000 0.000 0.292 99 I C -0.955 175.098 176.117 -0.107 0.000 1.100 99 I CA -0.701 60.550 61.300 -0.082 0.000 1.043 99 I CB 2.521 40.434 38.000 -0.145 0.000 1.239 99 I HN 0.246 nan 8.210 nan 0.000 0.420 100 W N 5.546 126.991 121.300 0.243 0.000 2.538 100 W HA 0.585 5.245 4.660 0.000 0.000 0.322 100 W C -1.166 175.503 176.519 0.251 0.000 1.028 100 W CA -0.645 56.841 57.345 0.235 0.000 1.228 100 W CB 2.173 31.736 29.460 0.173 0.000 1.356 100 W HN 0.066 nan 8.180 nan 0.000 0.452 101 V N 5.276 125.473 119.914 0.472 0.000 2.495 101 V HA 0.353 4.474 4.120 0.000 0.000 0.298 101 V C -1.748 174.542 176.094 0.327 0.000 1.031 101 V CA -2.281 60.255 62.300 0.393 0.000 0.871 101 V CB 1.911 34.008 31.823 0.458 0.000 0.988 101 V HN 0.246 nan 8.190 nan 0.000 0.432 102 P HA 0.132 nan 4.420 nan 0.000 0.272 102 P C -0.527 176.900 177.300 0.211 0.000 1.223 102 P CA -0.028 63.212 63.100 0.233 0.000 0.784 102 P CB 1.099 32.900 31.700 0.168 0.000 0.923 103 S N 1.792 117.616 115.700 0.207 0.000 2.478 103 S HA 0.526 4.996 4.470 0.000 0.000 0.312 103 S C -2.129 172.555 174.600 0.141 0.000 1.094 103 S CA -1.538 56.763 58.200 0.169 0.000 1.081 103 S CB 0.017 63.316 63.200 0.166 0.000 1.007 103 S HN 0.306 nan 8.310 nan 0.000 0.475 104 P HA 0.198 nan 4.420 nan 0.000 0.272 104 P C -0.630 176.738 177.300 0.112 0.000 1.230 104 P CA -0.631 62.529 63.100 0.100 0.000 0.788 104 P CB 0.410 32.155 31.700 0.074 0.000 0.949 105 R N 2.801 123.373 120.500 0.119 0.000 2.483 105 R HA 0.068 4.408 4.340 0.000 0.000 0.329 105 R C -1.546 174.814 176.300 0.099 0.000 0.961 105 R CA -0.903 55.275 56.100 0.130 0.000 1.041 105 R CB -0.224 30.152 30.300 0.126 0.000 0.930 105 R HN 0.414 nan 8.270 nan 0.000 0.413 106 P HA 0.074 nan 4.420 nan 0.000 0.282 106 P C -1.244 176.094 177.300 0.063 0.000 1.286 106 P CA -0.092 63.053 63.100 0.075 0.000 0.777 106 P CB 0.691 32.437 31.700 0.076 0.000 1.184 107 K N -0.501 119.926 120.400 0.045 0.000 2.413 107 K HA 0.279 4.599 4.320 0.000 0.000 0.257 107 K C -0.054 176.558 176.600 0.020 0.000 0.946 107 K CA -0.518 55.787 56.287 0.031 0.000 0.823 107 K CB 1.150 33.663 32.500 0.022 0.000 1.109 107 K HN 0.473 nan 8.250 nan 0.000 0.427 108 S N 1.116 116.823 115.700 0.011 0.000 3.521 108 S HA -0.188 4.283 4.470 0.000 0.000 0.362 108 S C 0.257 174.859 174.600 0.003 0.000 1.044 108 S CA 1.168 59.365 58.200 -0.005 0.000 1.091 108 S CB -1.190 61.999 63.200 -0.017 0.000 0.908 108 S HN 0.773 nan 8.310 nan 0.000 0.473 109 T N 1.285 115.853 114.554 0.023 0.000 2.788 109 T HA 0.454 4.805 4.350 0.000 0.000 0.287 109 T C 0.571 175.285 174.700 0.023 0.000 1.007 109 T CA 0.591 62.707 62.100 0.027 0.000 1.005 109 T CB 0.727 69.623 68.868 0.047 0.000 1.012 109 T HN 0.478 nan 8.240 nan 0.000 0.530 110 T N 2.334 116.899 114.554 0.018 0.000 2.930 110 T HA 0.382 4.732 4.350 0.000 0.000 0.306 110 T C -0.348 174.377 174.700 0.041 0.000 1.045 110 T CA -0.435 61.672 62.100 0.012 0.000 1.134 110 T CB 0.510 69.373 68.868 -0.008 0.000 0.961 110 T HN 0.424 nan 8.240 nan 0.000 0.545 111 V N 4.308 124.250 119.914 0.048 0.000 2.555 111 V HA 0.524 4.644 4.120 0.000 0.000 0.302 111 V C -0.145 176.012 176.094 0.106 0.000 1.038 111 V CA -0.827 61.526 62.300 0.088 0.000 0.887 111 V CB 1.768 33.643 31.823 0.087 0.000 0.991 111 V HN 0.836 nan 8.190 nan 0.000 0.434 112 M N 4.171 123.868 119.600 0.162 0.000 2.197 112 M HA 0.540 5.020 4.480 0.000 0.000 0.301 112 M C -1.280 175.290 176.300 0.450 0.000 0.987 112 M CA -0.621 54.813 55.300 0.223 0.000 0.921 112 M CB 2.224 34.853 32.600 0.049 0.000 1.569 112 M HN 0.359 nan 8.290 nan 0.000 0.431 113 V N 3.260 123.465 119.914 0.485 0.000 2.347 113 V HA 0.293 4.413 4.120 0.000 0.000 0.280 113 V C -0.714 175.618 176.094 0.396 0.000 1.021 113 V CA -0.576 61.959 62.300 0.392 0.000 0.847 113 V CB 1.219 33.145 31.823 0.172 0.000 0.990 113 V HN 0.853 nan 8.190 nan 0.000 0.444 114 W N 7.140 128.466 121.300 0.044 0.000 2.322 114 W HA 0.577 5.237 4.660 0.000 0.000 0.307 114 W C -1.169 175.195 176.519 -0.258 0.000 1.220 114 W CA -0.693 56.410 57.345 -0.403 0.000 1.210 114 W CB 1.085 30.385 29.460 -0.268 0.000 1.223 114 W HN 0.447 nan 8.180 nan 0.000 0.511 115 I N 9.560 129.394 120.570 -1.227 0.000 2.405 115 I HA 0.049 4.219 4.170 0.000 0.000 0.280 115 I C -0.207 175.093 176.117 -1.362 0.000 1.027 115 I CA -1.111 59.576 61.300 -1.021 0.000 1.161 115 I CB 0.409 38.015 38.000 -0.657 0.000 1.300 115 I HN 0.293 nan 8.210 nan 0.000 0.463 116 Y N 4.430 124.194 120.300 -0.893 0.000 2.652 116 Y HA 0.552 5.102 4.550 0.000 0.000 0.344 116 Y C 0.795 176.522 175.900 -0.288 0.000 1.254 116 Y CA -0.703 57.056 58.100 -0.568 0.000 1.480 116 Y CB -0.153 38.237 38.460 -0.116 0.000 1.345 116 Y HN 0.509 nan 8.280 nan 0.000 0.617 117 G N -0.735 108.096 108.800 0.051 0.000 2.583 117 G HA2 0.503 4.464 3.960 0.000 0.000 0.280 117 G HA3 0.503 4.464 3.960 0.000 0.000 0.280 117 G C 0.322 175.169 174.900 -0.088 0.000 1.376 117 G CA -0.926 44.124 45.100 -0.083 0.000 1.043 117 G HN 1.718 nan 8.290 nan 0.000 0.538 118 G N -2.924 105.677 108.800 -0.332 0.000 2.363 118 G HA2 0.406 4.366 3.960 0.000 0.000 0.213 118 G HA3 0.406 4.366 3.960 0.000 0.000 0.213 118 G C 1.050 175.421 174.900 -0.882 0.000 1.028 118 G CA 0.753 45.526 45.100 -0.546 0.000 0.822 118 G HN 2.319 nan 8.290 nan 0.000 0.536 119 G N -0.451 107.872 108.800 -0.795 0.000 2.187 119 G HA2 -0.135 3.825 3.960 0.000 0.000 0.261 119 G HA3 -0.135 3.825 3.960 0.000 0.000 0.261 119 G C 0.916 175.591 174.900 -0.375 0.000 1.000 119 G CA 0.814 45.302 45.100 -1.021 0.000 0.718 119 G HN 1.718 nan 8.290 nan 0.000 0.519 120 F N -3.479 116.370 119.950 -0.167 0.000 2.825 120 F HA -0.311 4.216 4.527 0.000 0.000 0.358 120 F C 1.468 177.346 175.800 0.130 0.000 0.639 120 F CA 2.148 60.156 58.000 0.012 0.000 1.153 120 F CB -2.055 36.820 39.000 -0.207 0.000 1.610 120 F HN 0.905 nan 8.300 nan 0.000 0.305 121 Y N -0.922 119.442 120.300 0.107 0.000 2.481 121 Y HA 0.666 5.216 4.550 0.000 0.000 0.247 121 Y C 0.633 176.626 175.900 0.155 0.000 1.151 121 Y CA 0.261 58.441 58.100 0.133 0.000 1.238 121 Y CB 0.020 38.479 38.460 -0.001 0.000 1.179 121 Y HN 0.112 nan 8.280 nan 0.000 0.524 122 S N -0.913 114.559 115.700 -0.381 0.000 2.703 122 S HA 0.860 5.331 4.470 0.000 0.000 0.273 122 S C -0.248 174.177 174.600 -0.292 0.000 1.178 122 S CA -0.488 57.548 58.200 -0.275 0.000 0.838 122 S CB 1.361 64.357 63.200 -0.340 0.000 1.178 122 S HN 1.343 nan 8.310 nan 0.000 0.494 123 G N -0.376 108.224 108.800 -0.333 0.000 2.465 123 G HA2 0.429 4.389 3.960 0.000 0.000 0.681 123 G HA3 0.429 4.389 3.960 0.000 0.000 0.681 123 G C -0.972 173.309 174.900 -1.031 0.000 1.340 123 G CA -0.274 44.462 45.100 -0.607 0.000 0.884 123 G HN 1.416 nan 8.290 nan 0.000 0.650 124 S N -1.118 113.964 115.700 -1.030 0.000 2.556 124 S HA 0.730 5.200 4.470 0.000 0.000 0.271 124 S C 0.969 175.401 174.600 -0.281 0.000 1.135 124 S CA 0.146 57.941 58.200 -0.676 0.000 0.858 124 S CB 1.799 64.815 63.200 -0.308 0.000 1.114 124 S HN 1.978 nan 8.310 nan 0.000 0.468 125 S N -0.246 115.491 115.700 0.061 0.000 2.524 125 S HA -0.042 4.428 4.470 0.000 0.000 0.216 125 S C 1.397 176.088 174.600 0.152 0.000 0.987 125 S CA 0.838 59.259 58.200 0.369 0.000 0.909 125 S CB -0.594 62.858 63.200 0.419 0.000 0.781 125 S HN 0.836 nan 8.310 nan 0.000 0.521 126 T N 0.397 114.850 114.554 -0.169 0.000 3.107 126 T HA 0.379 4.729 4.350 0.000 0.000 0.249 126 T C 0.571 174.959 174.700 -0.520 0.000 1.096 126 T CA -0.473 61.222 62.100 -0.675 0.000 1.012 126 T CB -0.636 67.798 68.868 -0.723 0.000 0.977 126 T HN 0.325 nan 8.240 nan 0.000 0.527 127 L N 2.073 123.097 121.223 -0.332 0.000 2.485 127 L HA 0.129 4.469 4.340 0.000 0.000 0.275 127 L C 1.334 177.937 176.870 -0.444 0.000 1.207 127 L CA -0.422 54.130 54.840 -0.479 0.000 0.855 127 L CB 0.311 41.874 42.059 -0.826 0.000 1.114 127 L HN 0.065 nan 8.230 nan 0.000 0.485 128 D N 1.228 121.390 120.400 -0.397 0.000 2.116 128 D HA -0.167 4.474 4.640 0.000 0.000 0.193 128 D C 1.986 178.075 176.300 -0.352 0.000 0.998 128 D CA 1.529 55.361 54.000 -0.280 0.000 0.836 128 D CB -0.128 40.519 40.800 -0.256 0.000 0.951 128 D HN 0.543 nan 8.370 nan 0.000 0.449 129 V N -1.486 118.079 119.914 -0.582 0.000 3.186 129 V HA -0.164 3.957 4.120 0.000 0.000 0.270 129 V C 0.936 176.610 176.094 -0.700 0.000 1.149 129 V CA 1.129 63.060 62.300 -0.614 0.000 1.160 129 V CB -1.108 30.256 31.823 -0.765 0.000 0.758 129 V HN 0.110 nan 8.190 nan 0.000 0.516 130 Y N 0.061 119.936 120.300 -0.708 0.000 2.555 130 Y HA 0.443 4.993 4.550 0.000 0.000 0.259 130 Y C 1.063 176.601 175.900 -0.604 0.000 1.179 130 Y CA -1.812 55.623 58.100 -1.108 0.000 1.230 130 Y CB -0.947 37.137 38.460 -0.627 0.000 1.146 130 Y HN 0.279 nan 8.280 nan 0.000 0.526 131 N N 1.592 120.160 118.700 -0.220 0.000 2.423 131 N HA -0.029 4.711 4.740 0.000 0.000 0.275 131 N C 1.304 176.578 175.510 -0.392 0.000 1.283 131 N CA 0.632 53.575 53.050 -0.178 0.000 0.932 131 N CB 1.080 39.550 38.487 -0.029 0.000 1.185 131 N HN 0.491 nan 8.380 nan 0.000 0.483 132 G N 3.340 111.406 108.800 -1.224 0.000 2.848 132 G HA2 -0.180 3.780 3.960 0.000 0.000 0.208 132 G HA3 -0.180 3.780 3.960 0.000 0.000 0.208 132 G C 1.429 175.711 174.900 -1.030 0.000 1.152 132 G CA 0.339 44.800 45.100 -1.065 0.000 0.789 132 G HN 0.754 nan 8.290 nan 0.000 0.531 133 K N -0.388 119.293 120.400 -1.199 0.000 2.057 133 K HA -0.136 4.184 4.320 0.000 0.000 0.207 133 K C 1.790 178.173 176.600 -0.361 0.000 1.049 133 K CA 1.139 57.027 56.287 -0.665 0.000 0.931 133 K CB -0.581 31.581 32.500 -0.564 0.000 0.714 133 K HN 0.370 nan 8.250 nan 0.000 0.440 134 Y N 1.211 121.426 120.300 -0.142 0.000 2.145 134 Y HA -0.173 4.377 4.550 0.000 0.000 0.286 134 Y C 2.451 178.348 175.900 -0.006 0.000 1.145 134 Y CA 0.748 58.819 58.100 -0.050 0.000 1.148 134 Y CB -0.430 37.976 38.460 -0.089 0.000 0.981 134 Y HN 0.041 nan 8.280 nan 0.000 0.507 135 L N 0.450 121.713 121.223 0.066 0.000 2.056 135 L HA -0.063 4.277 4.340 0.000 0.000 0.207 135 L C 2.370 179.257 176.870 0.027 0.000 1.078 135 L CA 1.864 56.694 54.840 -0.017 0.000 0.749 135 L CB -1.176 40.773 42.059 -0.184 0.000 0.901 135 L HN 0.142 nan 8.230 nan 0.000 0.433 136 A N -1.214 121.633 122.820 0.045 0.000 1.883 136 A HA -0.297 4.024 4.320 0.000 0.000 0.217 136 A C 2.319 179.993 177.584 0.150 0.000 1.186 136 A CA 2.017 54.129 52.037 0.124 0.000 0.624 136 A CB -1.238 17.888 19.000 0.211 0.000 0.822 136 A HN 0.662 nan 8.150 nan 0.000 0.444 137 Y N 0.960 121.282 120.300 0.037 0.000 2.092 137 Y HA -0.187 4.364 4.550 0.000 0.000 0.282 137 Y C 2.720 178.645 175.900 0.041 0.000 1.126 137 Y CA 2.566 60.692 58.100 0.044 0.000 1.111 137 Y CB -0.764 37.709 38.460 0.021 0.000 0.987 137 Y HN 0.295 nan 8.280 nan 0.000 0.489 138 T N 0.613 115.193 114.554 0.044 0.000 2.653 138 T HA -0.197 4.153 4.350 0.000 0.000 0.268 138 T C 1.348 175.994 174.700 -0.091 0.000 1.035 138 T CA 1.909 63.969 62.100 -0.067 0.000 1.154 138 T CB -0.213 68.697 68.868 0.069 0.000 0.862 138 T HN 0.380 nan 8.240 nan 0.000 0.441 139 E N 0.560 120.749 120.200 -0.018 0.000 2.474 139 E HA 0.082 4.433 4.350 0.000 0.000 0.195 139 E C 0.078 176.682 176.600 0.006 0.000 1.039 139 E CA 0.034 56.443 56.400 0.016 0.000 0.881 139 E CB 0.049 29.776 29.700 0.044 0.000 0.970 139 E HN 0.624 nan 8.360 nan 0.000 0.486 140 E N 0.227 120.419 120.200 -0.014 0.000 2.240 140 E HA -0.163 4.188 4.350 0.000 0.000 0.194 140 E C -0.129 176.499 176.600 0.048 0.000 1.385 140 E CA 0.457 56.863 56.400 0.011 0.000 0.686 140 E CB -2.085 27.604 29.700 -0.018 0.000 1.125 140 E HN 0.121 nan 8.360 nan 0.000 0.359 141 V N -3.526 116.433 119.914 0.075 0.000 3.102 141 V HA 0.691 4.811 4.120 0.000 0.000 0.312 141 V C 0.214 176.393 176.094 0.141 0.000 1.135 141 V CA -1.163 61.188 62.300 0.086 0.000 1.022 141 V CB 2.411 34.270 31.823 0.061 0.000 1.056 141 V HN 0.003 nan 8.190 nan 0.000 0.436 142 V N 3.171 123.176 119.914 0.152 0.000 2.385 142 V HA 0.409 4.529 4.120 0.000 0.000 0.269 142 V C -0.142 176.093 176.094 0.235 0.000 1.043 142 V CA -0.155 62.269 62.300 0.206 0.000 0.906 142 V CB 0.898 32.827 31.823 0.176 0.000 0.995 142 V HN 0.754 nan 8.190 nan 0.000 0.467 143 L N 7.312 128.732 121.223 0.329 0.000 2.282 143 L HA 0.644 4.984 4.340 0.000 0.000 0.288 143 L C -0.337 176.833 176.870 0.500 0.000 1.033 143 L CA 0.267 55.349 54.840 0.403 0.000 0.807 143 L CB 1.636 43.929 42.059 0.390 0.000 1.209 143 L HN 0.421 nan 8.230 nan 0.000 0.423 144 V N 3.723 123.899 119.914 0.435 0.000 2.555 144 V HA 0.691 4.811 4.120 0.000 0.000 0.302 144 V C -0.394 175.961 176.094 0.436 0.000 1.038 144 V CA -0.480 62.039 62.300 0.366 0.000 0.887 144 V CB 2.014 33.970 31.823 0.220 0.000 0.991 144 V HN 0.886 nan 8.190 nan 0.000 0.434 145 S N 5.191 121.155 115.700 0.440 0.000 2.605 145 S HA 0.842 5.312 4.470 0.000 0.000 0.308 145 S C -0.844 173.929 174.600 0.289 0.000 1.113 145 S CA -0.754 57.718 58.200 0.454 0.000 1.049 145 S CB 1.506 65.091 63.200 0.642 0.000 1.001 145 S HN 0.690 nan 8.310 nan 0.000 0.480 146 L N 0.871 122.199 121.223 0.175 0.000 2.347 146 L HA 1.014 5.354 4.340 0.000 0.000 0.268 146 L C 0.045 177.050 176.870 0.225 0.000 1.019 146 L CA -0.723 54.191 54.840 0.124 0.000 0.806 146 L CB 0.734 42.740 42.059 -0.089 0.000 1.339 146 L HN 0.846 nan 8.230 nan 0.000 0.463 147 S N -1.396 114.510 115.700 0.343 0.000 2.627 147 S HA 0.907 5.378 4.470 0.000 0.000 0.283 147 S C -1.276 173.585 174.600 0.436 0.000 1.127 147 S CA -0.526 57.906 58.200 0.387 0.000 0.863 147 S CB 1.589 65.037 63.200 0.413 0.000 1.121 147 S HN 1.194 nan 8.310 nan 0.000 0.479 148 Y N -1.841 118.584 120.300 0.208 0.000 2.592 148 Y HA 0.665 5.215 4.550 0.000 0.000 0.334 148 Y C -0.756 175.270 175.900 0.210 0.000 1.136 148 Y CA -1.400 56.805 58.100 0.175 0.000 1.042 148 Y CB 0.627 39.143 38.460 0.093 0.000 1.325 148 Y HN 0.778 nan 8.280 nan 0.000 0.457 149 R N 1.791 122.403 120.500 0.186 0.000 2.570 149 R HA 0.499 4.839 4.340 0.000 0.000 0.277 149 R C -0.182 176.262 176.300 0.240 0.000 1.039 149 R CA 0.006 56.178 56.100 0.120 0.000 1.065 149 R CB 0.748 31.087 30.300 0.064 0.000 0.964 149 R HN 0.700 nan 8.270 nan 0.000 0.428 150 V N -0.242 119.844 119.914 0.285 0.000 3.158 150 V HA 0.900 5.020 4.120 0.000 0.000 0.315 150 V C 0.675 177.075 176.094 0.509 0.000 1.148 150 V CA -0.119 62.469 62.300 0.480 0.000 1.042 150 V CB 1.260 33.264 31.823 0.302 0.000 1.101 150 V HN 0.985 nan 8.190 nan 0.000 0.448 151 G N 0.657 109.793 108.800 0.561 0.000 2.601 151 G HA2 0.047 4.007 3.960 0.000 0.000 0.261 151 G HA3 0.047 4.007 3.960 0.000 0.000 0.261 151 G C 0.996 176.055 174.900 0.264 0.000 1.289 151 G CA 0.899 46.259 45.100 0.433 0.000 0.920 151 G HN 2.246 nan 8.290 nan 0.000 0.571 152 A N -1.359 121.325 122.820 -0.228 0.000 1.940 152 A HA 0.163 4.484 4.320 0.000 0.000 0.219 152 A C 2.241 179.715 177.584 -0.184 0.000 1.176 152 A CA 2.645 54.237 52.037 -0.742 0.000 0.631 152 A CB -0.535 17.818 19.000 -1.077 0.000 0.814 152 A HN 1.011 nan 8.150 nan 0.000 0.446 153 F N -0.001 119.995 119.950 0.076 0.000 2.202 153 F HA -0.062 4.465 4.527 0.000 0.000 0.301 153 F C 2.418 178.213 175.800 -0.008 0.000 1.082 153 F CA 1.283 59.287 58.000 0.008 0.000 1.313 153 F CB -0.660 38.304 39.000 -0.059 0.000 1.024 153 F HN 0.297 nan 8.300 nan 0.000 0.495 154 G N -2.891 105.983 108.800 0.123 0.000 2.944 154 G HA2 0.101 4.061 3.960 0.000 0.000 0.220 154 G HA3 0.101 4.061 3.960 0.000 0.000 0.220 154 G C 0.657 175.074 174.900 -0.804 0.000 1.100 154 G CA 0.049 44.977 45.100 -0.285 0.000 0.780 154 G HN 0.315 nan 8.290 nan 0.000 0.539 155 F N -0.381 119.647 119.950 0.129 0.000 2.880 155 F HA 0.428 4.955 4.527 0.000 0.000 0.328 155 F C 0.279 176.125 175.800 0.076 0.000 1.146 155 F CA -0.993 57.064 58.000 0.095 0.000 1.135 155 F CB 0.514 39.589 39.000 0.125 0.000 1.151 155 F HN -0.090 nan 8.300 nan 0.000 0.523 156 L N 2.261 123.485 121.223 0.003 0.000 2.513 156 L HA 0.473 4.813 4.340 0.000 0.000 0.272 156 L C 0.197 177.039 176.870 -0.046 0.000 1.187 156 L CA 0.172 54.908 54.840 -0.172 0.000 0.895 156 L CB 0.189 41.888 42.059 -0.601 0.000 1.147 156 L HN 0.159 nan 8.230 nan 0.000 0.483 157 A N 6.940 129.784 122.820 0.040 0.000 2.319 157 A HA 0.668 4.988 4.320 0.000 0.000 0.310 157 A C -0.695 176.899 177.584 0.016 0.000 1.152 157 A CA -0.490 51.571 52.037 0.040 0.000 0.783 157 A CB 0.608 19.658 19.000 0.083 0.000 1.184 157 A HN 0.732 nan 8.150 nan 0.000 0.474 158 L N 3.553 124.779 121.223 0.005 0.000 2.594 158 L HA 0.206 4.546 4.340 0.000 0.000 0.245 158 L C -0.104 176.797 176.870 0.052 0.000 1.460 158 L CA -0.772 54.069 54.840 0.002 0.000 0.865 158 L CB 0.337 42.355 42.059 -0.068 0.000 1.131 158 L HN 0.916 nan 8.230 nan 0.000 0.506 159 H N 1.327 120.390 119.070 -0.011 0.000 3.152 159 H HA 0.178 4.734 4.556 0.000 0.000 0.319 159 H C 1.144 176.469 175.328 -0.005 0.000 0.994 159 H CA 1.858 57.906 56.048 0.001 0.000 1.370 159 H CB 0.786 30.555 29.762 0.011 0.000 1.322 159 H HN 0.677 nan 8.280 nan 0.000 0.590 160 G N 2.480 111.041 108.800 -0.398 0.000 2.604 160 G HA2 -0.276 3.685 3.960 0.000 0.000 0.205 160 G HA3 -0.276 3.685 3.960 0.000 0.000 0.205 160 G C 0.566 175.379 174.900 -0.146 0.000 1.186 160 G CA 0.253 45.181 45.100 -0.285 0.000 0.753 160 G HN 0.941 nan 8.290 nan 0.000 0.526 161 S N 0.293 115.939 115.700 -0.090 0.000 2.593 161 S HA 0.552 5.023 4.470 0.000 0.000 0.269 161 S C 0.871 175.449 174.600 -0.038 0.000 1.334 161 S CA 0.722 58.886 58.200 -0.059 0.000 1.015 161 S CB 1.280 64.444 63.200 -0.060 0.000 0.912 161 S HN 0.338 nan 8.310 nan 0.000 0.541 162 Q N 0.905 120.692 119.800 -0.022 0.000 2.171 162 Q HA 0.257 4.597 4.340 0.000 0.000 0.218 162 Q C 0.548 176.557 176.000 0.015 0.000 0.822 162 Q CA -0.066 55.737 55.803 0.000 0.000 0.987 162 Q CB 0.646 29.385 28.738 0.002 0.000 1.144 162 Q HN 0.696 nan 8.270 nan 0.000 0.494 163 E N 0.178 120.382 120.200 0.006 0.000 2.364 163 E HA 0.186 4.536 4.350 0.000 0.000 0.196 163 E C 0.080 176.718 176.600 0.063 0.000 0.990 163 E CA 0.283 56.701 56.400 0.029 0.000 0.886 163 E CB 0.950 30.647 29.700 -0.005 0.000 0.866 163 E HN 0.104 nan 8.360 nan 0.000 0.493 164 A N 1.787 124.617 122.820 0.017 0.000 3.422 164 A HA 0.267 4.587 4.320 0.000 0.000 0.271 164 A C -2.194 175.383 177.584 -0.010 0.000 1.104 164 A CA -0.762 51.276 52.037 0.002 0.000 0.899 164 A CB 0.590 19.498 19.000 -0.154 0.000 1.309 164 A HN -0.130 nan 8.150 nan 0.000 0.580 165 P HA 0.178 nan 4.420 nan 0.000 0.236 165 P C 0.849 178.196 177.300 0.078 0.000 1.177 165 P CA 1.572 64.706 63.100 0.057 0.000 0.773 165 P CB 0.203 31.939 31.700 0.060 0.000 0.878 166 G N 1.001 109.827 108.800 0.043 0.000 2.692 166 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 166 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 166 G C -0.063 174.844 174.900 0.013 0.000 1.243 166 G CA -0.303 44.826 45.100 0.050 0.000 0.782 166 G HN 0.134 nan 8.290 nan 0.000 0.625 167 N N -2.223 116.479 118.700 0.002 0.000 2.878 167 N HA -0.279 4.461 4.740 0.000 0.000 0.247 167 N C 1.889 177.246 175.510 -0.255 0.000 1.021 167 N CA 2.362 55.348 53.050 -0.107 0.000 0.873 167 N CB -1.660 36.702 38.487 -0.209 0.000 1.128 167 N HN 1.910 nan 8.380 nan 0.000 0.571 168 V N -2.577 117.178 119.914 -0.265 0.000 2.720 168 V HA -0.009 4.112 4.120 0.000 0.000 0.256 168 V C 2.276 178.223 176.094 -0.246 0.000 1.082 168 V CA 2.297 64.482 62.300 -0.192 0.000 1.101 168 V CB -0.859 30.900 31.823 -0.107 0.000 0.693 168 V HN 0.292 nan 8.190 nan 0.000 0.479 169 G N 0.290 108.734 108.800 -0.594 0.000 2.408 169 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 169 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 169 G C 1.522 176.415 174.900 -0.013 0.000 1.150 169 G CA 0.981 45.904 45.100 -0.294 0.000 0.776 169 G HN 0.527 nan 8.290 nan 0.000 0.542 170 L N -0.155 121.012 121.223 -0.093 0.000 2.109 170 L HA 0.113 4.453 4.340 0.000 0.000 0.207 170 L C 2.793 179.683 176.870 0.034 0.000 1.086 170 L CA 0.340 55.107 54.840 -0.123 0.000 0.760 170 L CB -0.267 41.453 42.059 -0.565 0.000 0.910 170 L HN 0.167 nan 8.230 nan 0.000 0.437 171 L N -0.495 120.731 121.223 0.005 0.000 2.141 171 L HA -0.205 4.135 4.340 0.000 0.000 0.209 171 L C 2.103 179.048 176.870 0.126 0.000 1.094 171 L CA 0.834 55.747 54.840 0.121 0.000 0.763 171 L CB -0.531 41.579 42.059 0.085 0.000 0.908 171 L HN 0.288 nan 8.230 nan 0.000 0.437 172 D N -0.208 120.264 120.400 0.121 0.000 2.117 172 D HA -0.177 4.463 4.640 0.000 0.000 0.198 172 D C 2.279 178.670 176.300 0.152 0.000 0.982 172 D CA 1.065 55.203 54.000 0.230 0.000 0.828 172 D CB -0.112 40.858 40.800 0.283 0.000 0.967 172 D HN 0.426 nan 8.370 nan 0.000 0.464 173 Q N 0.261 120.099 119.800 0.063 0.000 2.084 173 Q HA -0.114 4.227 4.340 0.000 0.000 0.202 173 Q C 2.273 178.184 176.000 -0.148 0.000 0.978 173 Q CA 0.850 56.604 55.803 -0.081 0.000 0.844 173 Q CB -0.073 28.633 28.738 -0.054 0.000 0.898 173 Q HN 0.198 nan 8.270 nan 0.000 0.426 174 R N 0.768 121.264 120.500 -0.008 0.000 2.096 174 R HA -0.124 4.217 4.340 0.000 0.000 0.235 174 R C 2.165 178.437 176.300 -0.046 0.000 1.127 174 R CA 1.394 57.473 56.100 -0.035 0.000 0.968 174 R CB -0.137 30.243 30.300 0.133 0.000 0.861 174 R HN 0.264 nan 8.270 nan 0.000 0.440 175 M N -0.200 119.398 119.600 -0.003 0.000 2.296 175 M HA -0.050 4.430 4.480 0.000 0.000 0.265 175 M C 1.961 178.188 176.300 -0.122 0.000 1.064 175 M CA 1.648 56.972 55.300 0.041 0.000 1.109 175 M CB 0.097 32.822 32.600 0.209 0.000 1.396 175 M HN 0.308 nan 8.290 nan 0.000 0.430 176 A N 0.294 122.789 122.820 -0.541 0.000 1.897 176 A HA -0.055 4.265 4.320 0.000 0.000 0.215 176 A C 1.932 179.381 177.584 -0.225 0.000 1.181 176 A CA 1.095 52.619 52.037 -0.854 0.000 0.620 176 A CB -0.793 17.458 19.000 -1.248 0.000 0.821 176 A HN 0.545 nan 8.150 nan 0.000 0.443 177 L N -0.872 120.247 121.223 -0.173 0.000 2.093 177 L HA -0.209 4.131 4.340 0.000 0.000 0.208 177 L C 2.803 179.707 176.870 0.056 0.000 1.085 177 L CA 1.606 56.417 54.840 -0.048 0.000 0.755 177 L CB -0.439 41.555 42.059 -0.108 0.000 0.904 177 L HN 0.479 nan 8.230 nan 0.000 0.435 178 Q N -0.237 119.587 119.800 0.039 0.000 2.124 178 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 178 Q C 2.006 178.092 176.000 0.143 0.000 0.977 178 Q CA 1.840 57.680 55.803 0.063 0.000 0.850 178 Q CB -0.481 28.279 28.738 0.037 0.000 0.901 178 Q HN 0.494 nan 8.270 nan 0.000 0.429 179 W N -0.654 120.639 121.300 -0.011 0.000 2.358 179 W HA -0.141 4.519 4.660 0.000 0.000 0.303 179 W C 1.686 178.218 176.519 0.022 0.000 1.208 179 W CA 1.704 59.065 57.345 0.026 0.000 1.274 179 W CB -0.063 29.408 29.460 0.019 0.000 1.138 179 W HN 0.019 nan 8.180 nan 0.000 0.515 180 V N 0.117 120.217 119.914 0.309 0.000 2.358 180 V HA -0.352 3.768 4.120 0.000 0.000 0.246 180 V C 2.538 178.613 176.094 -0.032 0.000 1.047 180 V CA 2.277 64.670 62.300 0.155 0.000 1.035 180 V CB -1.385 30.544 31.823 0.176 0.000 0.658 180 V HN 0.348 nan 8.190 nan 0.000 0.452 181 H N 0.700 119.731 119.070 -0.064 0.000 2.387 181 H HA -0.178 4.378 4.556 0.000 0.000 0.299 181 H C 1.649 176.869 175.328 -0.180 0.000 1.099 181 H CA 2.028 58.020 56.048 -0.094 0.000 1.315 181 H CB 0.090 29.820 29.762 -0.053 0.000 1.380 181 H HN 0.455 nan 8.280 nan 0.000 0.513 182 D N -0.733 119.593 120.400 -0.123 0.000 2.367 182 D HA 0.005 4.646 4.640 0.000 0.000 0.207 182 D C 1.060 177.074 176.300 -0.476 0.000 1.034 182 D CA 0.163 54.020 54.000 -0.238 0.000 0.861 182 D CB 0.220 40.940 40.800 -0.133 0.000 0.943 182 D HN 0.456 nan 8.370 nan 0.000 0.515 183 N N 0.041 118.368 118.700 -0.622 0.000 2.211 183 N HA 0.025 4.765 4.740 0.000 0.000 0.216 183 N C 1.550 176.835 175.510 -0.374 0.000 1.240 183 N CA -0.173 52.480 53.050 -0.662 0.000 0.895 183 N CB 1.113 38.948 38.487 -1.087 0.000 1.102 183 N HN -0.008 nan 8.380 nan 0.000 0.498 184 I N 3.322 123.720 120.570 -0.286 0.000 2.335 184 I HA -0.265 3.905 4.170 0.000 0.000 0.251 184 I C 2.561 178.658 176.117 -0.032 0.000 1.129 184 I CA 1.475 62.751 61.300 -0.040 0.000 1.402 184 I CB -0.244 37.732 38.000 -0.041 0.000 1.069 184 I HN 0.191 nan 8.210 nan 0.000 0.424 185 Q N -0.704 118.912 119.800 -0.306 0.000 2.181 185 Q HA -0.249 4.091 4.340 0.000 0.000 0.205 185 Q C 1.824 177.702 176.000 -0.203 0.000 0.980 185 Q CA 1.749 57.366 55.803 -0.310 0.000 0.862 185 Q CB -0.921 27.527 28.738 -0.482 0.000 0.905 185 Q HN 0.421 nan 8.270 nan 0.000 0.429 186 F N -0.362 119.560 119.950 -0.047 0.000 2.699 186 F HA 0.111 4.638 4.527 0.000 0.000 0.298 186 F C 0.844 176.433 175.800 -0.352 0.000 1.154 186 F CA 0.083 57.959 58.000 -0.207 0.000 1.457 186 F CB -0.152 38.656 39.000 -0.319 0.000 1.106 186 F HN 0.008 nan 8.300 nan 0.000 0.585 187 F N -0.707 119.253 119.950 0.016 0.000 2.653 187 F HA 0.448 4.976 4.527 0.000 0.000 0.304 187 F C 1.733 177.549 175.800 0.026 0.000 1.092 187 F CA 0.200 58.188 58.000 -0.020 0.000 1.279 187 F CB 0.141 39.095 39.000 -0.076 0.000 1.044 187 F HN 0.016 nan 8.300 nan 0.000 0.564 188 G N 0.259 109.147 108.800 0.147 0.000 2.157 188 G HA2 -0.141 3.819 3.960 0.000 0.000 0.239 188 G HA3 -0.141 3.819 3.960 0.000 0.000 0.239 188 G C 0.537 175.490 174.900 0.089 0.000 0.982 188 G CA -0.286 44.878 45.100 0.106 0.000 0.650 188 G HN 0.715 nan 8.290 nan 0.000 0.527 189 G N -0.608 108.244 108.800 0.086 0.000 2.437 189 G HA2 0.513 4.473 3.960 0.000 0.000 0.319 189 G HA3 0.513 4.473 3.960 0.000 0.000 0.319 189 G C -0.898 173.995 174.900 -0.012 0.000 1.158 189 G CA 0.187 45.318 45.100 0.051 0.000 0.899 189 G HN 0.239 nan 8.290 nan 0.000 0.502 190 D N 1.331 121.721 120.400 -0.017 0.000 2.467 190 D HA 0.268 4.908 4.640 0.000 0.000 0.220 190 D C -0.945 175.313 176.300 -0.070 0.000 1.103 190 D CA -2.396 51.574 54.000 -0.050 0.000 0.886 190 D CB 1.732 42.511 40.800 -0.035 0.000 1.025 190 D HN 0.053 nan 8.370 nan 0.000 0.514 191 P HA -0.179 nan 4.420 nan 0.000 0.220 191 P C 0.551 177.775 177.300 -0.126 0.000 1.144 191 P CA 0.994 63.990 63.100 -0.173 0.000 0.800 191 P CB 0.372 31.869 31.700 -0.337 0.000 0.772 192 K N -0.981 119.359 120.400 -0.101 0.000 2.426 192 K HA 0.092 4.413 4.320 0.000 0.000 0.193 192 K C 0.310 176.887 176.600 -0.038 0.000 1.028 192 K CA 0.603 56.852 56.287 -0.064 0.000 1.047 192 K CB 0.107 32.568 32.500 -0.066 0.000 0.821 192 K HN 0.065 nan 8.250 nan 0.000 0.513 193 T N 1.430 115.966 114.554 -0.031 0.000 3.514 193 T HA 0.228 4.578 4.350 0.000 0.000 0.259 193 T C -0.596 174.109 174.700 0.009 0.000 1.466 193 T CA -0.379 61.708 62.100 -0.022 0.000 1.562 193 T CB 0.638 69.485 68.868 -0.036 0.000 0.924 193 T HN -0.237 nan 8.240 nan 0.000 0.678 194 V N 2.015 121.958 119.914 0.049 0.000 2.427 194 V HA 0.515 4.635 4.120 0.000 0.000 0.286 194 V C 0.325 176.507 176.094 0.147 0.000 1.034 194 V CA -0.454 61.906 62.300 0.099 0.000 0.893 194 V CB 1.794 33.695 31.823 0.130 0.000 0.982 194 V HN 0.547 nan 8.190 nan 0.000 0.452 195 T N 6.311 120.945 114.554 0.133 0.000 2.786 195 T HA 0.586 4.936 4.350 0.000 0.000 0.283 195 T C -0.222 174.606 174.700 0.213 0.000 0.992 195 T CA -0.182 62.012 62.100 0.157 0.000 0.954 195 T CB 0.818 69.726 68.868 0.066 0.000 0.934 195 T HN 0.608 nan 8.240 nan 0.000 0.440 196 I N 1.748 122.422 120.570 0.173 0.000 2.385 196 I HA 0.881 5.052 4.170 0.000 0.000 0.294 196 I C -0.904 175.397 176.117 0.307 0.000 0.988 196 I CA -0.993 60.397 61.300 0.150 0.000 1.265 196 I CB 0.963 38.834 38.000 -0.215 0.000 1.388 196 I HN 0.498 nan 8.210 nan 0.000 0.480 197 F N 3.006 122.988 119.950 0.053 0.000 2.619 197 F HA 1.002 5.529 4.527 0.000 0.000 0.308 197 F C -0.470 175.308 175.800 -0.037 0.000 1.097 197 F CA -1.269 56.801 58.000 0.117 0.000 0.953 197 F CB 1.336 40.532 39.000 0.326 0.000 1.287 197 F HN 0.842 nan 8.300 nan 0.000 0.446 198 G N 0.980 109.668 108.800 -0.185 0.000 2.601 198 G HA2 0.482 4.442 3.960 0.000 0.000 0.291 198 G HA3 0.482 4.442 3.960 0.000 0.000 0.291 198 G C -2.530 172.204 174.900 -0.276 0.000 1.456 198 G CA -0.800 43.812 45.100 -0.813 0.000 0.804 198 G HN 0.868 nan 8.290 nan 0.000 0.499 199 E N 0.267 120.287 120.200 -0.299 0.000 2.221 199 E HA 0.636 4.987 4.350 0.000 0.000 0.268 199 E C 0.860 177.419 176.600 -0.069 0.000 0.933 199 E CA 0.305 56.707 56.400 0.003 0.000 0.809 199 E CB 2.087 31.904 29.700 0.195 0.000 1.190 199 E HN 0.765 nan 8.360 nan 0.000 0.406 200 S N 2.400 118.126 115.700 0.043 0.000 4.150 200 S HA -0.406 4.065 4.470 0.000 0.000 0.551 200 S C 1.485 176.169 174.600 0.139 0.000 1.874 200 S CA 2.360 60.659 58.200 0.165 0.000 4.241 200 S CB -1.606 61.641 63.200 0.078 0.000 0.292 200 S HN 0.896 nan 8.310 nan 0.000 0.469 201 A N 1.012 123.782 122.820 -0.084 0.000 2.019 201 A HA 0.205 4.525 4.320 0.000 0.000 0.219 201 A C 2.407 179.754 177.584 -0.395 0.000 1.164 201 A CA 2.231 54.035 52.037 -0.389 0.000 0.644 201 A CB -1.409 17.034 19.000 -0.929 0.000 0.805 201 A HN 1.469 nan 8.150 nan 0.000 0.449 202 G N -0.746 107.869 108.800 -0.308 0.000 2.421 202 G HA2 0.110 4.070 3.960 0.000 0.000 0.217 202 G HA3 0.110 4.070 3.960 0.000 0.000 0.217 202 G C 1.403 176.126 174.900 -0.295 0.000 1.143 202 G CA 1.115 45.979 45.100 -0.394 0.000 0.784 202 G HN 0.639 nan 8.290 nan 0.000 0.541 203 G N 0.886 109.585 108.800 -0.168 0.000 2.408 203 G HA2 0.160 4.120 3.960 0.000 0.000 0.215 203 G HA3 0.160 4.120 3.960 0.000 0.000 0.215 203 G C 1.986 176.803 174.900 -0.138 0.000 1.156 203 G CA 1.271 46.307 45.100 -0.106 0.000 0.793 203 G HN 0.542 nan 8.290 nan 0.000 0.535 204 A N 0.814 123.575 122.820 -0.099 0.000 1.930 204 A HA 0.057 4.377 4.320 0.000 0.000 0.217 204 A C 2.665 180.200 177.584 -0.081 0.000 1.175 204 A CA 2.149 54.111 52.037 -0.125 0.000 0.627 204 A CB -0.506 18.455 19.000 -0.066 0.000 0.815 204 A HN 0.287 nan 8.150 nan 0.000 0.443 205 S N -0.462 115.195 115.700 -0.072 0.000 2.356 205 S HA -0.127 4.344 4.470 0.000 0.000 0.223 205 S C 1.930 176.447 174.600 -0.138 0.000 1.032 205 S CA 1.370 59.507 58.200 -0.106 0.000 1.005 205 S CB -0.475 62.613 63.200 -0.187 0.000 0.867 205 S HN 0.343 nan 8.310 nan 0.000 0.449 206 V N 1.711 121.552 119.914 -0.121 0.000 2.282 206 V HA -0.213 3.907 4.120 0.000 0.000 0.249 206 V C 2.614 178.652 176.094 -0.092 0.000 1.057 206 V CA 2.087 64.324 62.300 -0.105 0.000 1.032 206 V CB -1.488 30.259 31.823 -0.127 0.000 0.645 206 V HN 0.606 nan 8.190 nan 0.000 0.447 207 G N -0.971 107.729 108.800 -0.166 0.000 2.432 207 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 207 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 207 G C 1.576 176.460 174.900 -0.026 0.000 1.135 207 G CA 1.092 46.060 45.100 -0.220 0.000 0.767 207 G HN 0.479 nan 8.290 nan 0.000 0.550 208 M N -0.281 119.324 119.600 0.007 0.000 2.319 208 M HA 0.047 4.527 4.480 0.000 0.000 0.265 208 M C 2.205 178.612 176.300 0.179 0.000 1.068 208 M CA 0.757 56.190 55.300 0.222 0.000 1.118 208 M CB -0.205 32.559 32.600 0.272 0.000 1.395 208 M HN 0.163 nan 8.290 nan 0.000 0.435 209 H N -0.018 119.162 119.070 0.183 0.000 2.470 209 H HA 0.080 4.636 4.556 0.000 0.000 0.289 209 H C 2.090 177.601 175.328 0.304 0.000 1.033 209 H CA 1.179 57.324 56.048 0.161 0.000 1.331 209 H CB -0.093 29.652 29.762 -0.028 0.000 1.414 209 H HN 0.402 nan 8.280 nan 0.000 0.545 210 I N 0.510 121.336 120.570 0.427 0.000 2.394 210 I HA -0.215 3.955 4.170 0.000 0.000 0.251 210 I C 1.973 178.327 176.117 0.395 0.000 1.136 210 I CA 0.852 62.459 61.300 0.511 0.000 1.425 210 I CB 0.013 38.250 38.000 0.395 0.000 1.079 210 I HN 0.132 nan 8.210 nan 0.000 0.425 211 L N -0.868 120.551 121.223 0.327 0.000 2.307 211 L HA 0.036 4.376 4.340 0.000 0.000 0.211 211 L C 1.388 178.370 176.870 0.187 0.000 1.099 211 L CA 0.093 55.127 54.840 0.324 0.000 0.816 211 L CB -0.131 42.157 42.059 0.381 0.000 0.952 211 L HN 0.041 nan 8.230 nan 0.000 0.455 212 S N -0.056 115.657 115.700 0.022 0.000 2.499 212 S HA 0.178 4.648 4.470 0.000 0.000 0.275 212 S C -1.565 172.919 174.600 -0.195 0.000 1.257 212 S CA -1.419 56.587 58.200 -0.324 0.000 1.050 212 S CB 1.170 63.719 63.200 -1.085 0.000 0.937 212 S HN -0.117 nan 8.310 nan 0.000 0.490 213 P HA -0.025 nan 4.420 nan 0.000 0.215 213 P C 1.391 178.612 177.300 -0.132 0.000 1.153 213 P CA 1.053 64.084 63.100 -0.114 0.000 0.853 213 P CB -0.070 31.569 31.700 -0.102 0.000 0.788 214 G N -1.559 107.115 108.800 -0.210 0.000 2.679 214 G HA2 -0.117 3.843 3.960 0.000 0.000 0.212 214 G HA3 -0.117 3.843 3.960 0.000 0.000 0.212 214 G C 1.325 176.162 174.900 -0.106 0.000 1.137 214 G CA 0.534 45.537 45.100 -0.162 0.000 0.787 214 G HN 0.225 nan 8.290 nan 0.000 0.534 215 S N -0.518 115.140 115.700 -0.071 0.000 2.514 215 S HA 0.119 4.589 4.470 0.000 0.000 0.223 215 S C 2.183 176.885 174.600 0.170 0.000 1.046 215 S CA -0.420 57.834 58.200 0.090 0.000 0.914 215 S CB 0.189 63.560 63.200 0.285 0.000 0.807 215 S HN 0.328 nan 8.310 nan 0.000 0.497 216 R N 2.017 122.567 120.500 0.082 0.000 2.140 216 R HA -0.136 4.204 4.340 0.000 0.000 0.250 216 R C 0.799 176.960 176.300 -0.231 0.000 1.150 216 R CA 1.737 57.795 56.100 -0.070 0.000 0.966 216 R CB -0.453 29.813 30.300 -0.057 0.000 0.869 216 R HN 0.356 nan 8.270 nan 0.000 0.445 217 D N 0.309 120.636 120.400 -0.122 0.000 2.363 217 D HA -0.020 4.620 4.640 0.000 0.000 0.226 217 D C 1.344 177.604 176.300 -0.066 0.000 1.020 217 D CA 0.620 54.549 54.000 -0.118 0.000 0.892 217 D CB 0.208 40.950 40.800 -0.097 0.000 0.900 217 D HN 0.284 nan 8.370 nan 0.000 0.531 218 L N -0.059 121.166 121.223 0.004 0.000 2.592 218 L HA 0.133 4.473 4.340 0.000 0.000 0.227 218 L C 0.050 177.087 176.870 0.278 0.000 1.127 218 L CA 0.036 54.950 54.840 0.123 0.000 0.884 218 L CB -0.100 42.018 42.059 0.098 0.000 1.065 218 L HN -0.061 nan 8.230 nan 0.000 0.457 219 F N -4.291 115.676 119.950 0.028 0.000 2.693 219 F HA 0.555 5.082 4.527 0.000 0.000 0.309 219 F C 0.303 176.126 175.800 0.040 0.000 1.129 219 F CA -1.346 56.675 58.000 0.035 0.000 0.948 219 F CB 1.172 40.190 39.000 0.030 0.000 1.315 219 F HN -0.400 nan 8.300 nan 0.000 0.447 220 R N 0.858 121.408 120.500 0.084 0.000 2.074 220 R HA 0.469 4.809 4.340 0.000 0.000 0.218 220 R C -0.020 176.315 176.300 0.057 0.000 1.137 220 R CA 1.065 57.154 56.100 -0.019 0.000 0.998 220 R CB 0.242 30.538 30.300 -0.006 0.000 0.895 220 R HN 0.813 nan 8.270 nan 0.000 0.442 221 R N -1.330 119.298 120.500 0.214 0.000 2.930 221 R HA 0.778 5.118 4.340 0.000 0.000 0.257 221 R C -1.389 175.165 176.300 0.423 0.000 1.107 221 R CA -0.735 55.510 56.100 0.242 0.000 0.999 221 R CB 2.086 32.363 30.300 -0.038 0.000 1.209 221 R HN 0.201 nan 8.270 nan 0.000 0.486 222 A N 1.059 124.117 122.820 0.398 0.000 2.515 222 A HA 0.680 5.000 4.320 0.000 0.000 0.298 222 A C -1.209 176.500 177.584 0.209 0.000 1.059 222 A CA -0.631 51.571 52.037 0.275 0.000 0.698 222 A CB 1.300 20.429 19.000 0.215 0.000 1.289 222 A HN 0.570 nan 8.150 nan 0.000 0.404 223 I N 1.998 122.652 120.570 0.140 0.000 2.447 223 I HA 0.353 4.523 4.170 0.000 0.000 0.287 223 I C -1.493 174.692 176.117 0.112 0.000 1.023 223 I CA -0.610 60.711 61.300 0.035 0.000 1.083 223 I CB 1.847 39.842 38.000 -0.008 0.000 1.245 223 I HN 0.432 nan 8.210 nan 0.000 0.434 224 L N 6.766 128.021 121.223 0.052 0.000 2.325 224 L HA 0.431 4.771 4.340 0.000 0.000 0.281 224 L C -0.382 176.574 176.870 0.144 0.000 1.004 224 L CA -0.250 54.619 54.840 0.049 0.000 0.823 224 L CB 1.448 43.462 42.059 -0.075 0.000 1.236 224 L HN 0.484 nan 8.230 nan 0.000 0.415 225 Q N 2.052 121.986 119.800 0.223 0.000 2.368 225 Q HA 0.467 4.808 4.340 0.000 0.000 0.263 225 Q C -0.034 176.086 176.000 0.199 0.000 1.009 225 Q CA -0.514 55.481 55.803 0.320 0.000 0.818 225 Q CB 1.366 30.393 28.738 0.481 0.000 1.239 225 Q HN 0.656 nan 8.270 nan 0.000 0.464 226 S N 0.993 116.789 115.700 0.161 0.000 3.682 226 S HA -0.156 4.315 4.470 0.000 0.000 0.354 226 S C 0.006 174.741 174.600 0.225 0.000 1.034 226 S CA 0.569 58.883 58.200 0.189 0.000 1.084 226 S CB -1.139 62.213 63.200 0.255 0.000 0.903 226 S HN 0.970 nan 8.310 nan 0.000 0.470 227 G N -0.169 108.701 108.800 0.117 0.000 2.691 227 G HA2 0.613 4.573 3.960 0.000 0.000 0.298 227 G HA3 0.613 4.573 3.960 0.000 0.000 0.298 227 G C -0.969 173.863 174.900 -0.114 0.000 1.471 227 G CA 0.150 45.312 45.100 0.105 0.000 0.912 227 G HN 1.065 nan 8.290 nan 0.000 0.553 228 S N 1.475 117.035 115.700 -0.234 0.000 2.556 228 S HA 0.774 5.244 4.470 0.000 0.000 0.271 228 S C -2.008 172.311 174.600 -0.468 0.000 1.135 228 S CA -1.211 56.706 58.200 -0.472 0.000 0.858 228 S CB 3.076 66.001 63.200 -0.459 0.000 1.114 228 S HN 0.421 nan 8.310 nan 0.000 0.468 229 P HA -0.152 nan 4.420 nan 0.000 0.219 229 P C 0.616 177.702 177.300 -0.357 0.000 1.146 229 P CA 1.361 64.248 63.100 -0.354 0.000 0.808 229 P CB -0.261 31.287 31.700 -0.253 0.000 0.779 230 N N -0.884 117.634 118.700 -0.303 0.000 2.398 230 N HA -0.021 4.719 4.740 0.000 0.000 0.188 230 N C 0.232 175.520 175.510 -0.371 0.000 1.122 230 N CA -0.136 52.762 53.050 -0.253 0.000 0.866 230 N CB -1.280 37.174 38.487 -0.054 0.000 0.970 230 N HN 0.048 nan 8.380 nan 0.000 0.462 231 C N 2.920 121.890 119.300 -0.551 0.000 2.665 231 C HA 0.053 4.513 4.460 0.000 0.000 0.416 231 C C -0.106 174.421 174.990 -0.773 0.000 1.305 231 C CA -0.851 57.709 59.018 -0.763 0.000 1.903 231 C CB 1.041 28.012 27.740 -1.282 0.000 2.704 231 C HN 0.363 nan 8.230 nan 0.000 0.629 232 P HA -0.104 nan 4.420 nan 0.000 0.222 232 P C 1.210 178.311 177.300 -0.332 0.000 1.147 232 P CA 1.816 64.647 63.100 -0.450 0.000 0.790 232 P CB -0.072 31.365 31.700 -0.439 0.000 0.780 233 W N -1.149 120.021 121.300 -0.218 0.000 2.996 233 W HA 0.516 5.176 4.660 0.000 0.000 0.270 233 W C 1.318 177.876 176.519 0.065 0.000 1.280 233 W CA 0.358 57.645 57.345 -0.097 0.000 1.549 233 W CB -1.142 28.282 29.460 -0.059 0.000 1.079 233 W HN -0.132 nan 8.180 nan 0.000 0.629 234 A N 1.525 123.986 122.820 -0.599 0.000 2.209 234 A HA 0.123 4.443 4.320 0.000 0.000 0.212 234 A C 1.004 178.421 177.584 -0.280 0.000 1.158 234 A CA 1.310 53.111 52.037 -0.394 0.000 0.742 234 A CB -0.645 17.873 19.000 -0.804 0.000 0.790 234 A HN 0.273 nan 8.150 nan 0.000 0.472 235 S N -2.042 113.495 115.700 -0.272 0.000 2.567 235 S HA 0.584 5.054 4.470 0.000 0.000 0.270 235 S C -0.840 173.636 174.600 -0.208 0.000 1.152 235 S CA -0.107 57.927 58.200 -0.276 0.000 0.835 235 S CB 1.132 64.118 63.200 -0.356 0.000 1.115 235 S HN 1.396 nan 8.310 nan 0.000 0.459 236 V N -0.660 119.149 119.914 -0.175 0.000 3.160 236 V HA 0.960 5.080 4.120 0.000 0.000 0.310 236 V C 0.210 176.231 176.094 -0.122 0.000 1.181 236 V CA -0.390 61.828 62.300 -0.137 0.000 1.047 236 V CB 1.146 32.903 31.823 -0.111 0.000 1.068 236 V HN 1.568 nan 8.190 nan 0.000 0.441 237 S N 0.622 116.260 115.700 -0.103 0.000 2.624 237 S HA 0.372 4.842 4.470 0.000 0.000 0.263 237 S C 1.313 175.867 174.600 -0.077 0.000 1.287 237 S CA 0.018 58.163 58.200 -0.091 0.000 0.990 237 S CB 1.210 64.364 63.200 -0.076 0.000 0.950 237 S HN 2.080 nan 8.310 nan 0.000 0.561 238 V N -1.374 118.487 119.914 -0.088 0.000 2.407 238 V HA -0.003 4.118 4.120 0.000 0.000 0.248 238 V C 2.586 178.665 176.094 -0.025 0.000 1.055 238 V CA 1.663 63.918 62.300 -0.075 0.000 1.049 238 V CB -2.070 29.664 31.823 -0.147 0.000 0.662 238 V HN 0.995 nan 8.190 nan 0.000 0.455 239 A N 0.720 123.522 122.820 -0.029 0.000 1.877 239 A HA -0.215 4.106 4.320 0.000 0.000 0.216 239 A C 2.224 179.789 177.584 -0.032 0.000 1.186 239 A CA 2.054 54.079 52.037 -0.020 0.000 0.620 239 A CB -0.670 18.317 19.000 -0.021 0.000 0.822 239 A HN 0.640 nan 8.150 nan 0.000 0.443 240 E N 0.043 120.214 120.200 -0.049 0.000 2.150 240 E HA -0.012 4.339 4.350 0.000 0.000 0.193 240 E C 1.923 178.487 176.600 -0.061 0.000 0.985 240 E CA 1.415 57.774 56.400 -0.068 0.000 0.814 240 E CB -0.726 28.923 29.700 -0.085 0.000 0.752 240 E HN 0.400 nan 8.360 nan 0.000 0.466 241 G N 0.674 109.452 108.800 -0.036 0.000 2.418 241 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 241 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 241 G C 1.746 176.660 174.900 0.023 0.000 1.158 241 G CA 0.813 45.915 45.100 0.003 0.000 0.771 241 G HN 0.306 nan 8.290 nan 0.000 0.545 242 R N 0.118 120.624 120.500 0.009 0.000 2.075 242 R HA 0.043 4.383 4.340 0.000 0.000 0.232 242 R C 2.579 178.875 176.300 -0.006 0.000 1.126 242 R CA 1.060 57.164 56.100 0.006 0.000 0.963 242 R CB -0.355 29.950 30.300 0.009 0.000 0.858 242 R HN 0.232 nan 8.270 nan 0.000 0.435 243 R N 0.637 121.124 120.500 -0.022 0.000 2.083 243 R HA -0.140 4.200 4.340 0.000 0.000 0.237 243 R C 2.241 178.519 176.300 -0.037 0.000 1.137 243 R CA 1.869 57.947 56.100 -0.036 0.000 0.951 243 R CB -0.137 30.129 30.300 -0.056 0.000 0.851 243 R HN 0.300 nan 8.270 nan 0.000 0.434 244 R N -0.391 120.080 120.500 -0.048 0.000 2.075 244 R HA -0.064 4.276 4.340 0.000 0.000 0.232 244 R C 2.333 178.679 176.300 0.077 0.000 1.126 244 R CA 1.264 57.328 56.100 -0.059 0.000 0.963 244 R CB -0.320 29.863 30.300 -0.195 0.000 0.858 244 R HN 0.234 nan 8.270 nan 0.000 0.435 245 A N 0.785 123.676 122.820 0.118 0.000 1.902 245 A HA -0.111 4.209 4.320 0.000 0.000 0.217 245 A C 2.352 179.944 177.584 0.012 0.000 1.181 245 A CA 1.371 53.465 52.037 0.096 0.000 0.623 245 A CB -0.510 18.491 19.000 0.002 0.000 0.818 245 A HN 0.112 nan 8.150 nan 0.000 0.443 246 V N 0.021 119.933 119.914 -0.003 0.000 2.427 246 V HA -0.205 3.915 4.120 0.000 0.000 0.248 246 V C 2.528 178.620 176.094 -0.004 0.000 1.051 246 V CA 2.283 64.574 62.300 -0.015 0.000 1.048 246 V CB -0.660 31.152 31.823 -0.018 0.000 0.666 246 V HN 0.706 nan 8.190 nan 0.000 0.456 247 E N 0.156 120.357 120.200 0.002 0.000 2.268 247 E HA -0.192 4.158 4.350 0.000 0.000 0.195 247 E C 1.833 178.448 176.600 0.025 0.000 0.995 247 E CA 0.827 57.229 56.400 0.003 0.000 0.836 247 E CB -0.268 29.422 29.700 -0.017 0.000 0.763 247 E HN 0.453 nan 8.360 nan 0.000 0.491 248 L N -0.462 120.792 121.223 0.053 0.000 2.027 248 L HA 0.103 4.444 4.340 0.000 0.000 0.206 248 L C 2.138 179.020 176.870 0.020 0.000 1.074 248 L CA 2.183 57.062 54.840 0.065 0.000 0.745 248 L CB -1.041 41.072 42.059 0.089 0.000 0.898 248 L HN 0.231 nan 8.230 nan 0.000 0.433 249 G N -0.705 108.093 108.800 -0.003 0.000 2.459 249 G HA2 -0.361 3.600 3.960 0.000 0.000 0.217 249 G HA3 -0.361 3.600 3.960 0.000 0.000 0.217 249 G C 1.770 176.675 174.900 0.008 0.000 1.183 249 G CA 0.912 46.008 45.100 -0.006 0.000 0.776 249 G HN 0.431 nan 8.290 nan 0.000 0.552 250 R N 0.436 120.940 120.500 0.008 0.000 2.096 250 R HA -0.128 4.212 4.340 0.000 0.000 0.240 250 R C 2.311 178.623 176.300 0.019 0.000 1.139 250 R CA 1.729 57.836 56.100 0.012 0.000 0.952 250 R CB -0.494 29.811 30.300 0.007 0.000 0.854 250 R HN 0.304 nan 8.270 nan 0.000 0.436 251 N N 0.373 119.088 118.700 0.025 0.000 2.272 251 N HA -0.155 4.585 4.740 0.000 0.000 0.185 251 N C 1.311 176.842 175.510 0.036 0.000 1.014 251 N CA 1.257 54.327 53.050 0.034 0.000 0.870 251 N CB 0.039 38.552 38.487 0.044 0.000 0.975 251 N HN 0.354 nan 8.380 nan 0.000 0.433 252 L N 0.074 121.317 121.223 0.033 0.000 2.728 252 L HA 0.191 4.531 4.340 0.000 0.000 0.238 252 L C -0.166 176.723 176.870 0.031 0.000 1.143 252 L CA -0.106 54.755 54.840 0.035 0.000 0.937 252 L CB 0.008 42.089 42.059 0.036 0.000 1.225 252 L HN 0.010 nan 8.230 nan 0.000 0.507 253 N N 0.067 118.782 118.700 0.026 0.000 2.746 253 N HA -0.160 4.580 4.740 0.000 0.000 0.250 253 N C -0.467 175.057 175.510 0.024 0.000 1.055 253 N CA 0.408 53.472 53.050 0.024 0.000 0.699 253 N CB -1.468 37.034 38.487 0.025 0.000 0.919 253 N HN 0.247 nan 8.380 nan 0.000 0.548 254 c N 0.702 119.314 118.600 0.020 0.000 2.351 254 c HA 0.329 4.899 4.570 0.000 0.000 0.359 254 c C 1.184 175.284 174.090 0.017 0.000 1.193 254 c CA -0.892 55.450 56.329 0.021 0.000 2.270 254 c CB 1.366 43.885 42.510 0.015 0.000 2.369 254 c HN 0.429 nan 8.230 nan 0.000 0.553 255 N N 1.844 120.557 118.700 0.022 0.000 2.431 255 N HA 0.127 4.867 4.740 0.000 0.000 0.265 255 N C -0.086 175.430 175.510 0.011 0.000 1.184 255 N CA 0.249 53.311 53.050 0.020 0.000 0.943 255 N CB 0.391 38.896 38.487 0.030 0.000 1.080 255 N HN 0.593 nan 8.380 nan 0.000 0.477 256 L N 3.070 124.296 121.223 0.006 0.000 2.791 256 L HA 0.191 4.531 4.340 0.000 0.000 0.239 256 L C 1.364 178.233 176.870 -0.002 0.000 1.203 256 L CA -0.318 54.520 54.840 -0.003 0.000 1.002 256 L CB -0.194 41.863 42.059 -0.004 0.000 1.295 256 L HN 0.417 nan 8.230 nan 0.000 0.504 257 N N 0.553 119.255 118.700 0.004 0.000 2.188 257 N HA -0.065 4.676 4.740 0.000 0.000 0.184 257 N C 0.866 176.376 175.510 -0.000 0.000 1.018 257 N CA 1.041 54.094 53.050 0.004 0.000 0.858 257 N CB 0.285 38.779 38.487 0.011 0.000 0.989 257 N HN 0.476 nan 8.380 nan 0.000 0.426 258 S N -1.375 114.323 115.700 -0.004 0.000 2.625 258 S HA 0.335 4.806 4.470 0.000 0.000 0.271 258 S C -0.058 174.523 174.600 -0.033 0.000 1.161 258 S CA -0.838 57.355 58.200 -0.013 0.000 0.820 258 S CB 1.570 64.767 63.200 -0.004 0.000 1.137 258 S HN -0.191 nan 8.310 nan 0.000 0.470 259 D N 0.976 121.347 120.400 -0.048 0.000 2.097 259 D HA -0.075 4.565 4.640 0.000 0.000 0.195 259 D C 1.650 177.875 176.300 -0.125 0.000 0.989 259 D CA 1.338 55.290 54.000 -0.080 0.000 0.827 259 D CB -0.191 40.563 40.800 -0.077 0.000 0.966 259 D HN 0.596 nan 8.370 nan 0.000 0.456 260 E N 0.993 121.119 120.200 -0.124 0.000 2.085 260 E HA -0.167 4.183 4.350 0.000 0.000 0.194 260 E C 2.048 178.514 176.600 -0.223 0.000 0.994 260 E CA 0.790 57.042 56.400 -0.247 0.000 0.801 260 E CB -0.152 29.502 29.700 -0.076 0.000 0.743 260 E HN 0.525 nan 8.360 nan 0.000 0.453 261 E N 0.409 120.603 120.200 -0.010 0.000 2.072 261 E HA -0.174 4.176 4.350 0.000 0.000 0.191 261 E C 2.198 178.813 176.600 0.026 0.000 0.985 261 E CA 0.584 57.028 56.400 0.074 0.000 0.801 261 E CB -0.161 29.574 29.700 0.058 0.000 0.750 261 E HN 0.061 nan 8.360 nan 0.000 0.452 262 L N 1.421 122.625 121.223 -0.033 0.000 1.994 262 L HA -0.161 4.179 4.340 0.000 0.000 0.208 262 L C 2.103 178.935 176.870 -0.063 0.000 1.071 262 L CA 1.594 56.407 54.840 -0.046 0.000 0.745 262 L CB -0.396 41.619 42.059 -0.073 0.000 0.892 262 L HN 0.085 nan 8.230 nan 0.000 0.431 263 I N -0.888 119.604 120.570 -0.131 0.000 2.127 263 I HA -0.334 3.837 4.170 0.000 0.000 0.241 263 I C 2.548 178.671 176.117 0.010 0.000 1.075 263 I CA 1.261 62.489 61.300 -0.121 0.000 1.334 263 I CB -0.774 37.107 38.000 -0.198 0.000 1.040 263 I HN 0.394 nan 8.210 nan 0.000 0.405 264 H N -0.211 118.892 119.070 0.055 0.000 2.390 264 H HA -0.228 4.328 4.556 0.000 0.000 0.298 264 H C 2.486 177.851 175.328 0.062 0.000 1.106 264 H CA 1.784 57.868 56.048 0.060 0.000 1.297 264 H CB -0.797 28.988 29.762 0.038 0.000 1.375 264 H HN 0.485 nan 8.280 nan 0.000 0.509 265 c N 0.867 119.563 118.600 0.161 0.000 2.436 265 c HA -0.079 4.491 4.570 0.000 0.000 0.277 265 c C 2.891 177.045 174.090 0.107 0.000 1.241 265 c CA 0.480 56.873 56.329 0.107 0.000 1.721 265 c CB -1.347 41.203 42.510 0.067 0.000 2.043 265 c HN 0.438 nan 8.230 nan 0.000 0.472 266 L N 0.177 121.465 121.223 0.109 0.000 2.265 266 L HA -0.066 4.274 4.340 0.000 0.000 0.215 266 L C 2.811 179.831 176.870 0.250 0.000 1.117 266 L CA 1.225 56.158 54.840 0.156 0.000 0.782 266 L CB -0.627 41.493 42.059 0.101 0.000 0.914 266 L HN 0.367 nan 8.230 nan 0.000 0.441 267 R N -0.423 120.223 120.500 0.243 0.000 2.275 267 R HA -0.049 4.292 4.340 0.000 0.000 0.199 267 R C 1.561 177.926 176.300 0.108 0.000 0.989 267 R CA 0.375 56.579 56.100 0.174 0.000 1.016 267 R CB 0.174 30.583 30.300 0.182 0.000 0.918 267 R HN 0.301 nan 8.270 nan 0.000 0.473 268 E N 0.638 120.903 120.200 0.107 0.000 2.400 268 E HA 0.010 4.360 4.350 0.000 0.000 0.195 268 E C -0.016 176.626 176.600 0.071 0.000 1.012 268 E CA 0.509 56.954 56.400 0.076 0.000 0.875 268 E CB 0.267 30.008 29.700 0.069 0.000 0.859 268 E HN 0.084 nan 8.360 nan 0.000 0.498 269 K N 1.817 122.269 120.400 0.085 0.000 2.237 269 K HA 0.212 4.532 4.320 0.000 0.000 0.270 269 K C 0.417 177.073 176.600 0.093 0.000 1.015 269 K CA -0.167 56.170 56.287 0.083 0.000 0.949 269 K CB 1.027 33.579 32.500 0.087 0.000 0.976 269 K HN -0.106 nan 8.250 nan 0.000 0.472 270 K N 2.500 122.952 120.400 0.086 0.000 2.295 270 K HA 0.049 4.369 4.320 0.000 0.000 0.270 270 K C -1.656 175.033 176.600 0.147 0.000 1.011 270 K CA -1.555 54.786 56.287 0.091 0.000 0.953 270 K CB 0.168 32.709 32.500 0.069 0.000 0.956 270 K HN 0.178 nan 8.250 nan 0.000 0.477 271 P HA -0.270 nan 4.420 nan 0.000 0.217 271 P C 1.181 178.672 177.300 0.319 0.000 1.162 271 P CA 1.383 64.693 63.100 0.349 0.000 0.901 271 P CB 0.234 32.000 31.700 0.109 0.000 0.793 272 Q N -0.187 119.725 119.800 0.187 0.000 2.291 272 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 272 Q C 1.885 177.976 176.000 0.152 0.000 0.976 272 Q CA 1.562 57.464 55.803 0.166 0.000 0.875 272 Q CB -0.712 28.095 28.738 0.114 0.000 0.927 272 Q HN 0.362 nan 8.270 nan 0.000 0.450 273 E N -0.896 119.383 120.200 0.132 0.000 2.072 273 E HA -0.166 4.184 4.350 0.000 0.000 0.191 273 E C 1.627 178.287 176.600 0.100 0.000 0.985 273 E CA 1.001 57.464 56.400 0.106 0.000 0.801 273 E CB -0.012 29.741 29.700 0.088 0.000 0.750 273 E HN 0.244 nan 8.360 nan 0.000 0.452 274 L N 0.799 122.075 121.223 0.089 0.000 2.005 274 L HA -0.171 4.169 4.340 0.000 0.000 0.207 274 L C 2.281 179.181 176.870 0.050 0.000 1.072 274 L CA 1.461 56.310 54.840 0.015 0.000 0.744 274 L CB -0.547 41.428 42.059 -0.140 0.000 0.895 274 L HN 0.150 nan 8.230 nan 0.000 0.433 275 I N -0.392 120.252 120.570 0.124 0.000 2.248 275 I HA -0.331 3.839 4.170 0.000 0.000 0.248 275 I C 1.991 178.243 176.117 0.224 0.000 1.107 275 I CA 1.228 62.646 61.300 0.197 0.000 1.373 275 I CB -0.500 37.677 38.000 0.295 0.000 1.055 275 I HN 0.312 nan 8.210 nan 0.000 0.418 276 D N 0.418 120.939 120.400 0.202 0.000 2.182 276 D HA -0.125 4.515 4.640 0.000 0.000 0.201 276 D C 1.971 178.391 176.300 0.200 0.000 0.986 276 D CA 1.662 55.789 54.000 0.212 0.000 0.847 276 D CB 0.004 40.899 40.800 0.158 0.000 0.942 276 D HN 0.414 nan 8.370 nan 0.000 0.467 277 V N -2.292 117.710 119.914 0.147 0.000 3.578 277 V HA 0.177 4.297 4.120 0.000 0.000 0.290 277 V C 1.827 177.984 176.094 0.104 0.000 1.376 277 V CA 0.025 62.401 62.300 0.128 0.000 1.083 277 V CB 0.312 32.191 31.823 0.093 0.000 0.911 277 V HN -0.068 nan 8.190 nan 0.000 0.433 278 E N 0.983 121.219 120.200 0.061 0.000 2.108 278 E HA -0.285 4.065 4.350 0.000 0.000 0.203 278 E C 1.580 178.057 176.600 -0.206 0.000 1.022 278 E CA 2.823 59.188 56.400 -0.059 0.000 0.823 278 E CB -0.240 29.312 29.700 -0.246 0.000 0.744 278 E HN 0.835 nan 8.360 nan 0.000 0.456 279 W N 0.669 121.965 121.300 -0.007 0.000 2.699 279 W HA -0.003 4.657 4.660 0.000 0.000 0.249 279 W C 1.654 178.139 176.519 -0.058 0.000 1.280 279 W CA 0.072 57.372 57.345 -0.076 0.000 1.345 279 W CB -0.107 29.280 29.460 -0.121 0.000 1.128 279 W HN 0.094 nan 8.180 nan 0.000 0.642 280 N N 0.221 119.004 118.700 0.138 0.000 2.550 280 N HA -0.097 4.644 4.740 0.000 0.000 0.186 280 N C 1.722 177.240 175.510 0.013 0.000 1.110 280 N CA 1.362 54.460 53.050 0.080 0.000 0.912 280 N CB -0.477 38.056 38.487 0.077 0.000 0.968 280 N HN 0.267 nan 8.380 nan 0.000 0.448 281 V N -2.394 117.496 119.914 -0.039 0.000 3.650 281 V HA 0.245 4.365 4.120 0.000 0.000 0.271 281 V C 0.782 176.781 176.094 -0.157 0.000 1.281 281 V CA -0.081 62.157 62.300 -0.104 0.000 1.120 281 V CB -0.582 31.151 31.823 -0.151 0.000 0.856 281 V HN -0.019 nan 8.190 nan 0.000 0.443 282 L N 2.233 123.382 121.223 -0.122 0.000 2.485 282 L HA 0.203 4.544 4.340 0.000 0.000 0.275 282 L C -0.301 176.457 176.870 -0.187 0.000 1.207 282 L CA -0.796 53.963 54.840 -0.135 0.000 0.855 282 L CB 0.571 42.610 42.059 -0.034 0.000 1.114 282 L HN 0.161 nan 8.230 nan 0.000 0.485 283 P HA -0.009 nan 4.420 nan 0.000 0.227 283 P C -0.268 176.594 177.300 -0.731 0.000 1.161 283 P CA 1.065 63.796 63.100 -0.616 0.000 0.788 283 P CB 0.329 31.487 31.700 -0.904 0.000 0.822 284 F N -0.639 119.310 119.950 -0.002 0.000 2.675 284 F HA 0.378 4.905 4.527 0.000 0.000 0.324 284 F C 0.329 176.134 175.800 0.007 0.000 1.106 284 F CA -1.447 56.557 58.000 0.007 0.000 0.970 284 F CB 0.245 39.255 39.000 0.016 0.000 1.385 284 F HN -0.381 nan 8.300 nan 0.000 0.489 285 D N 1.204 121.743 120.400 0.232 0.000 2.308 285 D HA 0.477 5.117 4.640 0.000 0.000 0.251 285 D C -0.237 176.133 176.300 0.117 0.000 1.127 285 D CA 0.445 54.517 54.000 0.121 0.000 0.876 285 D CB 1.382 42.230 40.800 0.082 0.000 1.176 285 D HN 0.647 nan 8.370 nan 0.000 0.446 286 S N 0.829 116.576 115.700 0.078 0.000 2.683 286 S HA 0.666 5.136 4.470 0.000 0.000 0.269 286 S C -0.888 173.726 174.600 0.023 0.000 1.165 286 S CA -0.992 57.243 58.200 0.060 0.000 0.840 286 S CB 0.897 64.156 63.200 0.098 0.000 1.169 286 S HN 0.468 nan 8.310 nan 0.000 0.490 287 I N -3.208 117.372 120.570 0.017 0.000 2.828 287 I HA 0.834 5.005 4.170 0.000 0.000 0.302 287 I C -0.448 175.648 176.117 -0.036 0.000 1.101 287 I CA -1.041 60.265 61.300 0.010 0.000 1.031 287 I CB 1.628 39.669 38.000 0.068 0.000 1.231 287 I HN 0.866 nan 8.210 nan 0.000 0.427 288 F N 2.367 122.072 119.950 -0.408 0.000 3.071 288 F HA -0.164 4.364 4.527 0.000 0.000 0.295 288 F C -0.517 174.697 175.800 -0.976 0.000 0.919 288 F CA 0.552 58.016 58.000 -0.893 0.000 1.050 288 F CB -0.581 37.920 39.000 -0.832 0.000 1.040 288 F HN 0.649 nan 8.300 nan 0.000 0.692 289 R N 0.678 120.688 120.500 -0.816 0.000 2.574 289 R HA 0.608 4.948 4.340 0.000 0.000 0.288 289 R C -1.031 174.821 176.300 -0.746 0.000 1.004 289 R CA -0.522 55.181 56.100 -0.662 0.000 0.895 289 R CB 1.291 31.480 30.300 -0.184 0.000 1.191 289 R HN -0.000 nan 8.270 nan 0.000 0.444 290 F N -0.574 119.469 119.950 0.155 0.000 2.546 290 F HA 0.387 4.914 4.527 0.000 0.000 0.320 290 F C 1.612 177.339 175.800 -0.121 0.000 1.076 290 F CA -0.862 57.173 58.000 0.059 0.000 0.928 290 F CB 1.644 40.761 39.000 0.195 0.000 1.189 290 F HN 0.344 nan 8.300 nan 0.000 0.465 291 S N 0.688 116.274 115.700 -0.191 0.000 2.354 291 S HA -0.088 4.382 4.470 0.000 0.000 0.219 291 S C 0.141 174.305 174.600 -0.726 0.000 1.035 291 S CA 1.310 59.172 58.200 -0.562 0.000 1.037 291 S CB -0.289 62.418 63.200 -0.822 0.000 0.956 291 S HN 0.355 nan 8.310 nan 0.000 0.428 292 F N 1.820 121.779 119.950 0.014 0.000 2.332 292 F HA 0.535 5.063 4.527 0.000 0.000 0.368 292 F C 0.098 175.912 175.800 0.023 0.000 1.110 292 F CA -0.981 57.059 58.000 0.066 0.000 1.087 292 F CB 0.895 39.967 39.000 0.121 0.000 1.235 292 F HN -0.058 nan 8.300 nan 0.000 0.470 293 V N 0.903 120.799 119.914 -0.031 0.000 3.155 293 V HA 0.761 4.882 4.120 0.000 0.000 0.313 293 V C -2.849 172.947 176.094 -0.497 0.000 1.162 293 V CA -3.374 58.627 62.300 -0.498 0.000 1.048 293 V CB 1.932 33.619 31.823 -0.226 0.000 1.092 293 V HN 0.254 nan 8.190 nan 0.000 0.447 294 P HA 0.256 nan 4.420 nan 0.000 0.267 294 P C -0.647 176.574 177.300 -0.132 0.000 1.201 294 P CA 0.280 63.189 63.100 -0.319 0.000 0.775 294 P CB 0.477 31.920 31.700 -0.428 0.000 0.854 295 V N 0.525 120.450 119.914 0.018 0.000 2.680 295 V HA 0.444 4.565 4.120 0.000 0.000 0.309 295 V C -0.121 176.018 176.094 0.074 0.000 1.052 295 V CA -0.870 61.430 62.300 -0.001 0.000 0.908 295 V CB 1.886 33.715 31.823 0.011 0.000 1.001 295 V HN 0.210 nan 8.190 nan 0.000 0.431 296 I N 4.890 125.439 120.570 -0.034 0.000 2.357 296 I HA 0.186 4.356 4.170 0.000 0.000 0.300 296 I C 0.882 176.993 176.117 -0.010 0.000 1.159 296 I CA 0.251 61.551 61.300 -0.000 0.000 1.339 296 I CB -0.145 37.781 38.000 -0.122 0.000 1.458 296 I HN 0.974 nan 8.210 nan 0.000 0.577 297 D N 3.239 123.682 120.400 0.072 0.000 2.354 297 D HA 0.053 4.694 4.640 0.000 0.000 0.209 297 D C 1.434 177.716 176.300 -0.029 0.000 1.015 297 D CA 0.789 54.723 54.000 -0.110 0.000 0.867 297 D CB 0.416 41.227 40.800 0.019 0.000 0.933 297 D HN 0.630 nan 8.370 nan 0.000 0.520 298 G N 0.627 109.484 108.800 0.096 0.000 2.176 298 G HA2 -0.366 3.594 3.960 0.000 0.000 0.253 298 G HA3 -0.366 3.594 3.960 0.000 0.000 0.253 298 G C 0.715 175.686 174.900 0.119 0.000 0.979 298 G CA 0.637 45.799 45.100 0.103 0.000 0.641 298 G HN 0.533 nan 8.290 nan 0.000 0.530 299 E N -1.295 118.990 120.200 0.142 0.000 2.307 299 E HA 0.348 4.698 4.350 0.000 0.000 0.192 299 E C 1.895 178.536 176.600 0.069 0.000 0.967 299 E CA -0.017 56.449 56.400 0.110 0.000 1.042 299 E CB -0.024 29.759 29.700 0.139 0.000 1.126 299 E HN 0.313 nan 8.360 nan 0.000 0.484 300 F N 0.522 120.424 119.950 -0.081 0.000 2.186 300 F HA 0.104 4.631 4.527 0.000 0.000 0.299 300 F C 0.042 175.601 175.800 -0.402 0.000 1.090 300 F CA 0.944 58.776 58.000 -0.280 0.000 1.307 300 F CB 0.302 39.050 39.000 -0.421 0.000 1.019 300 F HN -0.068 nan 8.300 nan 0.000 0.489 301 F N 1.048 121.137 119.950 0.231 0.000 2.347 301 F HA 0.368 4.895 4.527 0.000 0.000 0.366 301 F C -1.582 174.254 175.800 0.059 0.000 1.107 301 F CA -2.960 55.118 58.000 0.130 0.000 1.058 301 F CB 0.651 39.736 39.000 0.141 0.000 1.236 301 F HN -0.235 nan 8.300 nan 0.000 0.456 302 P HA -0.138 nan 4.420 nan 0.000 0.214 302 P C 0.421 177.784 177.300 0.104 0.000 1.169 302 P CA 2.075 65.238 63.100 0.104 0.000 0.908 302 P CB 0.145 31.885 31.700 0.067 0.000 0.791 303 T N -6.308 108.312 114.554 0.110 0.000 2.669 303 T HA 0.474 4.824 4.350 0.000 0.000 0.283 303 T C -0.257 174.477 174.700 0.057 0.000 1.019 303 T CA -0.696 61.446 62.100 0.069 0.000 1.039 303 T CB 0.684 69.580 68.868 0.047 0.000 1.374 303 T HN 0.027 nan 8.240 nan 0.000 0.523 304 S N 0.066 115.775 115.700 0.016 0.000 2.558 304 S HA 0.114 4.585 4.470 0.000 0.000 0.287 304 S C 1.480 176.072 174.600 -0.013 0.000 1.321 304 S CA -0.652 57.533 58.200 -0.025 0.000 1.048 304 S CB -0.411 62.775 63.200 -0.023 0.000 0.844 304 S HN 0.651 nan 8.310 nan 0.000 0.512 305 L N 0.560 121.736 121.223 -0.079 0.000 2.079 305 L HA -0.132 4.208 4.340 0.000 0.000 0.210 305 L C 2.912 179.813 176.870 0.051 0.000 1.081 305 L CA 1.932 56.747 54.840 -0.041 0.000 0.752 305 L CB -0.708 41.269 42.059 -0.138 0.000 0.896 305 L HN 0.797 nan 8.230 nan 0.000 0.433 306 E N 0.513 120.739 120.200 0.042 0.000 2.031 306 E HA -0.201 4.149 4.350 0.000 0.000 0.193 306 E C 2.319 178.978 176.600 0.099 0.000 0.994 306 E CA 1.725 58.182 56.400 0.095 0.000 0.800 306 E CB -0.131 29.612 29.700 0.073 0.000 0.752 306 E HN 0.441 nan 8.360 nan 0.000 0.447 307 S N -0.319 115.421 115.700 0.067 0.000 2.382 307 S HA -0.209 4.261 4.470 0.000 0.000 0.228 307 S C 2.138 176.781 174.600 0.073 0.000 1.027 307 S CA 1.493 59.730 58.200 0.062 0.000 0.991 307 S CB -0.403 62.821 63.200 0.039 0.000 0.823 307 S HN 0.273 nan 8.310 nan 0.000 0.469 308 M N 0.733 120.390 119.600 0.095 0.000 2.132 308 M HA 0.062 4.543 4.480 0.000 0.000 0.263 308 M C 2.230 178.656 176.300 0.211 0.000 1.065 308 M CA 1.349 56.727 55.300 0.131 0.000 1.122 308 M CB -0.546 32.161 32.600 0.179 0.000 1.365 308 M HN 0.323 nan 8.290 nan 0.000 0.411 309 L N -0.111 121.248 121.223 0.226 0.000 2.093 309 L HA -0.207 4.134 4.340 0.000 0.000 0.208 309 L C 2.164 179.196 176.870 0.269 0.000 1.085 309 L CA 0.810 55.821 54.840 0.285 0.000 0.755 309 L CB -0.689 41.470 42.059 0.166 0.000 0.904 309 L HN 0.362 nan 8.230 nan 0.000 0.435 310 N N -0.281 118.525 118.700 0.177 0.000 2.171 310 N HA -0.129 4.611 4.740 0.000 0.000 0.184 310 N C 1.989 177.589 175.510 0.150 0.000 1.021 310 N CA 1.699 54.855 53.050 0.178 0.000 0.854 310 N CB -0.206 38.356 38.487 0.124 0.000 0.994 310 N HN 0.312 nan 8.380 nan 0.000 0.426 311 S N -0.563 115.145 115.700 0.013 0.000 2.561 311 S HA 0.152 4.623 4.470 0.000 0.000 0.225 311 S C 1.411 175.694 174.600 -0.529 0.000 0.977 311 S CA 0.623 58.750 58.200 -0.122 0.000 0.926 311 S CB -0.137 63.006 63.200 -0.095 0.000 0.769 311 S HN 0.430 nan 8.310 nan 0.000 0.533 312 G N 1.781 110.103 108.800 -0.796 0.000 2.160 312 G HA2 -0.305 3.655 3.960 0.000 0.000 0.251 312 G HA3 -0.305 3.655 3.960 0.000 0.000 0.251 312 G C -0.072 173.992 174.900 -1.393 0.000 1.008 312 G CA 0.103 44.075 45.100 -1.881 0.000 0.724 312 G HN 0.712 nan 8.290 nan 0.000 0.514 313 N N 0.617 118.934 118.700 -0.638 0.000 2.605 313 N HA 0.539 5.279 4.740 0.000 0.000 0.258 313 N C -0.127 175.319 175.510 -0.108 0.000 1.156 313 N CA -0.144 52.694 53.050 -0.352 0.000 1.008 313 N CB -0.670 37.737 38.487 -0.134 0.000 1.354 313 N HN 0.826 nan 8.380 nan 0.000 0.509 314 F N -0.741 119.157 119.950 -0.088 0.000 2.842 314 F HA 0.367 4.894 4.527 0.000 0.000 0.319 314 F C -0.585 175.234 175.800 0.032 0.000 1.159 314 F CA -1.441 56.575 58.000 0.027 0.000 0.902 314 F CB 0.538 39.617 39.000 0.132 0.000 1.311 314 F HN -0.038 nan 8.300 nan 0.000 0.453 315 K N 1.825 122.492 120.400 0.445 0.000 2.451 315 K HA 0.195 4.515 4.320 0.000 0.000 0.280 315 K C -1.007 175.864 176.600 0.452 0.000 1.020 315 K CA -0.073 56.386 56.287 0.288 0.000 1.008 315 K CB 0.459 33.068 32.500 0.181 0.000 0.917 315 K HN 0.729 nan 8.250 nan 0.000 0.478 316 K N 3.222 123.748 120.400 0.209 0.000 2.334 316 K HA 0.176 4.496 4.320 0.000 0.000 0.265 316 K C -0.314 176.401 176.600 0.192 0.000 1.039 316 K CA -0.420 55.984 56.287 0.195 0.000 0.920 316 K CB 1.837 34.349 32.500 0.020 0.000 1.160 316 K HN 0.640 nan 8.250 nan 0.000 0.451 317 T N 1.297 116.048 114.554 0.329 0.000 2.627 317 T HA 0.210 4.560 4.350 0.000 0.000 0.294 317 T C -1.449 173.447 174.700 0.326 0.000 1.230 317 T CA -0.573 61.671 62.100 0.239 0.000 1.084 317 T CB 0.893 69.865 68.868 0.172 0.000 1.693 317 T HN 0.397 nan 8.240 nan 0.000 0.465 318 Q N 1.059 121.021 119.800 0.269 0.000 2.230 318 Q HA 0.745 5.085 4.340 0.000 0.000 0.253 318 Q C -0.433 175.851 176.000 0.473 0.000 0.919 318 Q CA -0.443 55.577 55.803 0.362 0.000 0.908 318 Q CB 1.365 30.292 28.738 0.315 0.000 1.245 318 Q HN 0.657 nan 8.270 nan 0.000 0.437 319 I N -1.242 119.562 120.570 0.390 0.000 2.828 319 I HA 0.696 4.866 4.170 0.000 0.000 0.302 319 I C -1.415 174.643 176.117 -0.098 0.000 1.101 319 I CA -1.402 60.001 61.300 0.172 0.000 1.031 319 I CB 1.926 39.869 38.000 -0.096 0.000 1.231 319 I HN 0.531 nan 8.210 nan 0.000 0.427 320 L N 6.823 127.788 121.223 -0.431 0.000 2.406 320 L HA 0.691 5.031 4.340 0.000 0.000 0.270 320 L C -1.319 175.374 176.870 -0.294 0.000 0.982 320 L CA -0.451 54.007 54.840 -0.637 0.000 0.843 320 L CB 1.438 42.564 42.059 -1.555 0.000 1.225 320 L HN 0.785 nan 8.230 nan 0.000 0.412 321 L N 2.229 123.391 121.223 -0.103 0.000 2.359 321 L HA 1.143 5.484 4.340 0.000 0.000 0.256 321 L C -0.514 176.177 176.870 -0.297 0.000 1.026 321 L CA -0.525 54.273 54.840 -0.069 0.000 0.828 321 L CB 2.063 44.074 42.059 -0.079 0.000 1.406 321 L HN 0.618 nan 8.230 nan 0.000 0.413 322 G N -0.087 108.339 108.800 -0.624 0.000 2.488 322 G HA2 0.585 4.545 3.960 0.000 0.000 0.301 322 G HA3 0.585 4.545 3.960 0.000 0.000 0.301 322 G C -1.488 173.059 174.900 -0.589 0.000 1.339 322 G CA 0.015 44.355 45.100 -1.267 0.000 0.803 322 G HN 1.278 nan 8.290 nan 0.000 0.482 323 V N -2.575 117.140 119.914 -0.333 0.000 3.181 323 V HA 0.855 4.975 4.120 0.000 0.000 0.308 323 V C -0.994 175.133 176.094 0.056 0.000 1.214 323 V CA -1.445 60.853 62.300 -0.002 0.000 1.053 323 V CB 1.853 33.701 31.823 0.043 0.000 1.069 323 V HN 0.656 nan 8.190 nan 0.000 0.441 324 N N 0.779 119.527 118.700 0.079 0.000 2.472 324 N HA 0.434 5.174 4.740 0.000 0.000 0.289 324 N C 0.595 176.004 175.510 -0.168 0.000 1.156 324 N CA -0.517 52.561 53.050 0.046 0.000 0.940 324 N CB 1.701 40.307 38.487 0.198 0.000 1.200 324 N HN 0.927 nan 8.380 nan 0.000 0.511 325 K N -0.010 120.220 120.400 -0.284 0.000 2.097 325 K HA -0.068 4.252 4.320 0.000 0.000 0.206 325 K C -0.682 175.983 176.600 0.109 0.000 1.049 325 K CA 1.247 57.448 56.287 -0.143 0.000 0.933 325 K CB 0.209 32.694 32.500 -0.025 0.000 0.717 325 K HN 0.517 nan 8.250 nan 0.000 0.442 326 D N 1.214 121.678 120.400 0.108 0.000 2.502 326 D HA 0.041 4.682 4.640 0.000 0.000 0.301 326 D C 0.022 176.413 176.300 0.152 0.000 1.202 326 D CA -0.104 53.978 54.000 0.136 0.000 0.878 326 D CB 1.377 42.240 40.800 0.106 0.000 1.062 326 D HN 0.139 nan 8.370 nan 0.000 0.499 327 E N 0.364 120.672 120.200 0.180 0.000 2.204 327 E HA -0.083 4.267 4.350 0.000 0.000 0.194 327 E C 1.880 178.627 176.600 0.245 0.000 0.989 327 E CA 0.488 57.023 56.400 0.224 0.000 0.824 327 E CB 0.261 30.086 29.700 0.209 0.000 0.756 327 E HN 0.434 nan 8.360 nan 0.000 0.477 328 G N 1.132 110.061 108.800 0.216 0.000 2.744 328 G HA2 -0.138 3.823 3.960 0.000 0.000 0.211 328 G HA3 -0.138 3.823 3.960 0.000 0.000 0.211 328 G C 1.708 176.733 174.900 0.208 0.000 1.146 328 G CA 0.649 45.905 45.100 0.259 0.000 0.787 328 G HN 0.336 nan 8.290 nan 0.000 0.534 329 S N 0.829 116.605 115.700 0.128 0.000 2.374 329 S HA -0.208 4.262 4.470 0.000 0.000 0.227 329 S C 2.076 176.636 174.600 -0.067 0.000 1.037 329 S CA 1.265 59.492 58.200 0.044 0.000 1.024 329 S CB -0.642 62.483 63.200 -0.125 0.000 0.861 329 S HN 0.244 nan 8.310 nan 0.000 0.456 330 F N 1.906 121.687 119.950 -0.282 0.000 2.126 330 F HA -0.005 4.522 4.527 0.000 0.000 0.299 330 F C 1.719 177.279 175.800 -0.400 0.000 1.096 330 F CA 1.291 59.011 58.000 -0.466 0.000 1.255 330 F CB -0.427 38.152 39.000 -0.702 0.000 0.997 330 F HN 0.177 nan 8.300 nan 0.000 0.479 331 F N -0.574 119.407 119.950 0.052 0.000 2.456 331 F HA -0.033 4.495 4.527 0.000 0.000 0.298 331 F C 2.036 177.803 175.800 -0.055 0.000 1.104 331 F CA 0.556 58.542 58.000 -0.023 0.000 1.435 331 F CB -0.580 38.343 39.000 -0.128 0.000 1.078 331 F HN -0.084 nan 8.300 nan 0.000 0.546 332 L N -0.744 120.470 121.223 -0.016 0.000 2.072 332 L HA -0.161 4.179 4.340 0.000 0.000 0.205 332 L C 2.403 179.104 176.870 -0.281 0.000 1.079 332 L CA 0.495 55.127 54.840 -0.346 0.000 0.752 332 L CB -0.512 40.993 42.059 -0.923 0.000 0.906 332 L HN 0.158 nan 8.230 nan 0.000 0.436 333 L N -1.117 120.063 121.223 -0.072 0.000 2.079 333 L HA -0.244 4.096 4.340 0.000 0.000 0.210 333 L C 2.209 179.112 176.870 0.055 0.000 1.081 333 L CA 1.992 56.907 54.840 0.125 0.000 0.752 333 L CB -0.582 41.544 42.059 0.113 0.000 0.896 333 L HN 0.136 nan 8.230 nan 0.000 0.433 334 Y N -1.011 119.231 120.300 -0.097 0.000 2.365 334 Y HA 0.229 4.779 4.550 0.000 0.000 0.293 334 Y C 2.228 178.098 175.900 -0.049 0.000 1.119 334 Y CA 0.977 59.029 58.100 -0.081 0.000 1.203 334 Y CB -0.135 38.242 38.460 -0.139 0.000 1.026 334 Y HN 0.235 nan 8.280 nan 0.000 0.549 335 G N -1.478 107.392 108.800 0.116 0.000 3.829 335 G HA2 0.501 4.461 3.960 0.000 0.000 0.279 335 G HA3 0.501 4.461 3.960 0.000 0.000 0.279 335 G C -0.400 174.542 174.900 0.069 0.000 1.008 335 G CA 0.340 45.479 45.100 0.065 0.000 0.840 335 G HN 0.248 nan 8.290 nan 0.000 0.474 336 A N 1.541 124.423 122.820 0.103 0.000 2.331 336 A HA 0.838 5.159 4.320 0.000 0.000 0.320 336 A C -2.633 175.123 177.584 0.287 0.000 1.138 336 A CA -1.593 50.550 52.037 0.176 0.000 0.790 336 A CB 1.713 20.814 19.000 0.168 0.000 1.206 336 A HN 0.048 nan 8.150 nan 0.000 0.470 337 P HA 0.256 nan 4.420 nan 0.000 0.266 337 P C 0.915 178.232 177.300 0.028 0.000 1.195 337 P CA 1.569 64.726 63.100 0.095 0.000 0.768 337 P CB 1.049 32.775 31.700 0.042 0.000 0.838 338 G N 1.632 110.391 108.800 -0.068 0.000 2.234 338 G HA2 -0.220 3.740 3.960 0.000 0.000 0.235 338 G HA3 -0.220 3.740 3.960 0.000 0.000 0.235 338 G C -0.174 174.468 174.900 -0.430 0.000 0.997 338 G CA -0.480 44.453 45.100 -0.277 0.000 0.623 338 G HN 0.430 nan 8.290 nan 0.000 0.514 339 F N 1.679 121.557 119.950 -0.120 0.000 2.385 339 F HA 0.743 5.270 4.527 0.000 0.000 0.336 339 F C 0.757 176.535 175.800 -0.036 0.000 1.100 339 F CA 0.174 58.077 58.000 -0.163 0.000 1.116 339 F CB 2.050 40.998 39.000 -0.086 0.000 1.166 339 F HN 0.170 nan 8.300 nan 0.000 0.511 340 S N 1.693 117.498 115.700 0.175 0.000 2.556 340 S HA 0.273 4.743 4.470 0.000 0.000 0.271 340 S C 0.276 175.077 174.600 0.336 0.000 1.135 340 S CA -0.857 57.461 58.200 0.195 0.000 0.858 340 S CB 1.780 65.020 63.200 0.066 0.000 1.114 340 S HN 0.765 nan 8.310 nan 0.000 0.468 341 K N 0.886 121.406 120.400 0.199 0.000 2.296 341 K HA 0.080 4.400 4.320 0.000 0.000 0.200 341 K C -0.293 176.329 176.600 0.036 0.000 1.048 341 K CA 1.046 57.383 56.287 0.084 0.000 0.966 341 K CB 0.013 32.276 32.500 -0.396 0.000 0.754 341 K HN 0.611 nan 8.250 nan 0.000 0.466 342 D N 1.259 121.668 120.400 0.016 0.000 2.738 342 D HA 0.055 4.696 4.640 0.000 0.000 0.246 342 D C -0.570 175.750 176.300 0.034 0.000 1.270 342 D CA 0.085 54.079 54.000 -0.010 0.000 0.833 342 D CB 0.729 41.493 40.800 -0.061 0.000 1.040 342 D HN 0.174 nan 8.370 nan 0.000 0.487 343 S N -1.762 113.999 115.700 0.101 0.000 2.611 343 S HA 0.158 4.629 4.470 0.000 0.000 0.270 343 S C 0.584 175.226 174.600 0.069 0.000 1.131 343 S CA -0.806 57.425 58.200 0.051 0.000 0.826 343 S CB 1.639 64.825 63.200 -0.023 0.000 1.095 343 S HN -0.089 nan 8.310 nan 0.000 0.461 344 E N 1.119 121.320 120.200 0.002 0.000 2.204 344 E HA 0.002 4.352 4.350 0.000 0.000 0.195 344 E C -0.268 176.127 176.600 -0.342 0.000 0.990 344 E CA 0.929 57.311 56.400 -0.030 0.000 0.821 344 E CB -0.350 29.334 29.700 -0.027 0.000 0.750 344 E HN 0.764 nan 8.360 nan 0.000 0.477 345 S N 0.815 116.277 115.700 -0.397 0.000 3.791 345 S HA -0.146 4.324 4.470 0.000 0.000 0.393 345 S C -0.431 173.829 174.600 -0.566 0.000 0.936 345 S CA 0.443 58.270 58.200 -0.622 0.000 1.234 345 S CB -1.169 61.339 63.200 -1.153 0.000 0.891 345 S HN 0.264 nan 8.310 nan 0.000 0.519 346 K N 1.193 121.383 120.400 -0.349 0.000 2.383 346 K HA 0.262 4.582 4.320 0.000 0.000 0.286 346 K C 0.356 176.767 176.600 -0.315 0.000 1.051 346 K CA -0.187 55.940 56.287 -0.267 0.000 0.974 346 K CB 0.372 32.771 32.500 -0.168 0.000 0.968 346 K HN 0.239 nan 8.250 nan 0.000 0.475 347 I N 3.291 123.676 120.570 -0.308 0.000 2.325 347 I HA 0.011 4.181 4.170 0.000 0.000 0.291 347 I C 1.164 177.196 176.117 -0.140 0.000 1.019 347 I CA -0.132 60.999 61.300 -0.281 0.000 1.302 347 I CB 0.556 38.400 38.000 -0.260 0.000 1.401 347 I HN 0.693 nan 8.210 nan 0.000 0.485 348 S N 6.598 122.228 115.700 -0.117 0.000 2.606 348 S HA 0.129 4.600 4.470 0.000 0.000 0.257 348 S C 1.251 175.840 174.600 -0.018 0.000 1.327 348 S CA -0.177 57.982 58.200 -0.068 0.000 0.984 348 S CB 1.230 64.397 63.200 -0.054 0.000 0.941 348 S HN 0.624 nan 8.310 nan 0.000 0.576 349 R N 0.655 121.146 120.500 -0.014 0.000 2.073 349 R HA 0.002 4.342 4.340 0.000 0.000 0.229 349 R C 2.367 178.725 176.300 0.098 0.000 1.120 349 R CA 2.038 58.149 56.100 0.019 0.000 0.967 349 R CB -0.945 29.349 30.300 -0.009 0.000 0.862 349 R HN 0.934 nan 8.270 nan 0.000 0.436 350 E N -0.117 120.118 120.200 0.058 0.000 2.077 350 E HA -0.199 4.151 4.350 0.000 0.000 0.193 350 E C 0.902 177.541 176.600 0.065 0.000 0.989 350 E CA 1.682 58.118 56.400 0.061 0.000 0.800 350 E CB -0.086 29.632 29.700 0.031 0.000 0.746 350 E HN 0.301 nan 8.360 nan 0.000 0.452 351 D N -0.166 120.260 120.400 0.044 0.000 2.178 351 D HA -0.141 4.499 4.640 0.000 0.000 0.202 351 D C 1.544 177.887 176.300 0.072 0.000 0.974 351 D CA 0.610 54.628 54.000 0.029 0.000 0.841 351 D CB -0.332 40.445 40.800 -0.037 0.000 0.953 351 D HN 0.229 nan 8.370 nan 0.000 0.478 352 F N 0.792 120.727 119.950 -0.025 0.000 2.075 352 F HA -0.216 4.311 4.527 0.000 0.000 0.297 352 F C 2.248 178.061 175.800 0.021 0.000 1.113 352 F CA 1.197 59.196 58.000 -0.002 0.000 1.218 352 F CB -0.205 38.775 39.000 -0.032 0.000 0.984 352 F HN -0.182 nan 8.300 nan 0.000 0.472 353 M N 0.268 119.954 119.600 0.145 0.000 2.080 353 M HA -0.219 4.261 4.480 0.000 0.000 0.260 353 M C 2.410 178.685 176.300 -0.041 0.000 1.068 353 M CA 1.895 57.227 55.300 0.053 0.000 1.109 353 M CB -0.898 31.774 32.600 0.120 0.000 1.342 353 M HN 0.106 nan 8.290 nan 0.000 0.405 354 S N -0.195 115.499 115.700 -0.011 0.000 2.370 354 S HA -0.106 4.365 4.470 0.000 0.000 0.226 354 S C 1.989 176.563 174.600 -0.044 0.000 1.033 354 S CA 1.326 59.518 58.200 -0.014 0.000 1.011 354 S CB -1.084 62.123 63.200 0.012 0.000 0.852 354 S HN 0.710 nan 8.310 nan 0.000 0.457 355 G N 1.713 110.470 108.800 -0.072 0.000 2.446 355 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 355 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 355 G C 1.683 176.489 174.900 -0.157 0.000 1.168 355 G CA 1.289 46.338 45.100 -0.084 0.000 0.771 355 G HN 0.556 nan 8.290 nan 0.000 0.551 356 V N 0.125 119.867 119.914 -0.287 0.000 2.407 356 V HA -0.087 4.033 4.120 0.000 0.000 0.248 356 V C 2.531 178.547 176.094 -0.129 0.000 1.055 356 V CA 2.702 64.861 62.300 -0.235 0.000 1.049 356 V CB -0.632 31.022 31.823 -0.282 0.000 0.662 356 V HN 0.311 nan 8.190 nan 0.000 0.455 357 K N 0.377 120.711 120.400 -0.110 0.000 2.063 357 K HA -0.118 4.202 4.320 0.000 0.000 0.208 357 K C 1.866 178.419 176.600 -0.078 0.000 1.048 357 K CA 2.068 58.300 56.287 -0.091 0.000 0.928 357 K CB -0.816 31.645 32.500 -0.065 0.000 0.713 357 K HN 0.451 nan 8.250 nan 0.000 0.442 358 L N 0.741 121.934 121.223 -0.051 0.000 2.131 358 L HA -0.057 4.283 4.340 0.000 0.000 0.210 358 L C 2.109 178.974 176.870 -0.009 0.000 1.092 358 L CA 1.668 56.498 54.840 -0.017 0.000 0.759 358 L CB -0.842 41.217 42.059 0.001 0.000 0.903 358 L HN 0.168 nan 8.230 nan 0.000 0.435 359 S N -1.722 113.959 115.700 -0.032 0.000 2.436 359 S HA 0.048 4.518 4.470 0.000 0.000 0.228 359 S C 0.940 175.540 174.600 0.000 0.000 1.014 359 S CA 0.426 58.618 58.200 -0.012 0.000 0.950 359 S CB 0.249 63.421 63.200 -0.046 0.000 0.784 359 S HN 0.160 nan 8.310 nan 0.000 0.504 360 V N 3.064 122.933 119.914 -0.074 0.000 2.468 360 V HA 0.201 4.322 4.120 0.000 0.000 0.256 360 V C -1.778 174.158 176.094 -0.263 0.000 0.998 360 V CA -1.335 60.849 62.300 -0.194 0.000 1.114 360 V CB 0.929 32.578 31.823 -0.289 0.000 1.378 360 V HN 0.167 nan 8.190 nan 0.000 0.573 361 P HA -0.220 nan 4.420 nan 0.000 0.217 361 P C 1.195 178.146 177.300 -0.581 0.000 1.148 361 P CA 1.758 64.699 63.100 -0.264 0.000 0.828 361 P CB 0.068 31.756 31.700 -0.020 0.000 0.783 362 H N -0.683 118.170 119.070 -0.362 0.000 2.535 362 H HA 0.388 4.945 4.556 0.000 0.000 0.273 362 H C 0.806 176.006 175.328 -0.212 0.000 0.983 362 H CA 0.076 55.944 56.048 -0.300 0.000 1.238 362 H CB -0.912 28.818 29.762 -0.053 0.000 1.412 362 H HN 0.008 nan 8.280 nan 0.000 0.562 363 A N 2.369 124.862 122.820 -0.546 0.000 2.371 363 A HA 0.243 4.563 4.320 0.000 0.000 0.257 363 A C 0.373 177.821 177.584 -0.226 0.000 1.089 363 A CA -0.252 51.573 52.037 -0.354 0.000 0.794 363 A CB 0.256 19.041 19.000 -0.359 0.000 1.029 363 A HN 0.677 nan 8.150 nan 0.000 0.488 364 N N 0.778 119.387 118.700 -0.150 0.000 2.431 364 N HA 0.137 4.878 4.740 0.000 0.000 0.289 364 N C 0.128 175.588 175.510 -0.083 0.000 1.277 364 N CA -0.210 52.777 53.050 -0.104 0.000 0.972 364 N CB 0.199 38.642 38.487 -0.073 0.000 1.143 364 N HN 0.520 nan 8.380 nan 0.000 0.578 365 D N -0.949 119.420 120.400 -0.053 0.000 2.144 365 D HA -0.124 4.516 4.640 0.000 0.000 0.199 365 D C 1.693 177.985 176.300 -0.013 0.000 0.984 365 D CA 0.914 54.896 54.000 -0.028 0.000 0.834 365 D CB -0.125 40.666 40.800 -0.015 0.000 0.955 365 D HN 0.343 nan 8.370 nan 0.000 0.465 366 L N 1.175 122.387 121.223 -0.018 0.000 2.093 366 L HA 0.014 4.354 4.340 0.000 0.000 0.208 366 L C 2.276 179.147 176.870 0.002 0.000 1.085 366 L CA 1.773 56.612 54.840 -0.002 0.000 0.755 366 L CB -0.785 41.264 42.059 -0.016 0.000 0.904 366 L HN -0.004 nan 8.230 nan 0.000 0.435 367 G N -0.651 108.124 108.800 -0.042 0.000 2.408 367 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 367 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 367 G C 1.569 176.465 174.900 -0.005 0.000 1.150 367 G CA 0.942 46.008 45.100 -0.056 0.000 0.776 367 G HN 0.417 nan 8.290 nan 0.000 0.542 368 L N 0.488 121.700 121.223 -0.017 0.000 2.056 368 L HA -0.042 4.298 4.340 0.000 0.000 0.207 368 L C 2.445 179.360 176.870 0.075 0.000 1.078 368 L CA 1.103 55.949 54.840 0.009 0.000 0.749 368 L CB -0.389 41.660 42.059 -0.016 0.000 0.901 368 L HN 0.081 nan 8.230 nan 0.000 0.433 369 D N 0.346 120.794 120.400 0.081 0.000 2.178 369 D HA -0.147 4.493 4.640 0.000 0.000 0.201 369 D C 2.214 178.605 176.300 0.152 0.000 0.980 369 D CA 1.439 55.511 54.000 0.120 0.000 0.842 369 D CB 0.005 40.861 40.800 0.093 0.000 0.948 369 D HN 0.316 nan 8.370 nan 0.000 0.472 370 A N 0.572 123.492 122.820 0.167 0.000 1.873 370 A HA -0.121 4.199 4.320 0.000 0.000 0.215 370 A C 2.528 180.247 177.584 0.225 0.000 1.186 370 A CA 1.167 53.363 52.037 0.265 0.000 0.616 370 A CB -0.700 18.524 19.000 0.373 0.000 0.823 370 A HN 0.143 nan 8.150 nan 0.000 0.442 371 V N -0.202 119.847 119.914 0.225 0.000 2.358 371 V HA -0.220 3.900 4.120 0.000 0.000 0.246 371 V C 2.738 178.946 176.094 0.190 0.000 1.047 371 V CA 2.444 64.833 62.300 0.149 0.000 1.035 371 V CB -1.355 30.566 31.823 0.163 0.000 0.658 371 V HN 0.601 nan 8.190 nan 0.000 0.452 372 T N 0.731 115.414 114.554 0.215 0.000 2.652 372 T HA -0.212 4.138 4.350 0.000 0.000 0.267 372 T C 1.914 176.773 174.700 0.265 0.000 1.039 372 T CA 1.972 64.269 62.100 0.328 0.000 1.153 372 T CB -0.403 68.665 68.868 0.333 0.000 0.863 372 T HN 0.306 nan 8.240 nan 0.000 0.428 373 L N 1.278 122.628 121.223 0.212 0.000 2.083 373 L HA -0.027 4.313 4.340 0.000 0.000 0.209 373 L C 2.425 179.307 176.870 0.021 0.000 1.083 373 L CA 1.779 56.739 54.840 0.201 0.000 0.752 373 L CB -0.868 41.287 42.059 0.160 0.000 0.899 373 L HN 0.141 nan 8.230 nan 0.000 0.433 374 Q N -1.416 118.300 119.800 -0.141 0.000 2.291 374 Q HA -0.175 4.165 4.340 0.000 0.000 0.205 374 Q C 0.820 176.536 176.000 -0.474 0.000 0.970 374 Q CA 1.740 57.270 55.803 -0.457 0.000 0.876 374 Q CB -0.149 27.956 28.738 -1.055 0.000 0.935 374 Q HN 0.689 nan 8.270 nan 0.000 0.455 375 Y N -1.369 118.874 120.300 -0.095 0.000 2.612 375 Y HA 0.359 4.909 4.550 0.000 0.000 0.250 375 Y C -0.369 175.478 175.900 -0.089 0.000 1.175 375 Y CA -0.340 57.755 58.100 -0.008 0.000 1.205 375 Y CB 1.170 39.722 38.460 0.154 0.000 1.201 375 Y HN -0.188 nan 8.280 nan 0.000 0.532 376 T N 0.638 115.126 114.554 -0.111 0.000 2.770 376 T HA 0.128 4.479 4.350 0.000 0.000 0.283 376 T C -1.016 173.396 174.700 -0.480 0.000 0.988 376 T CA -0.674 61.150 62.100 -0.460 0.000 0.957 376 T CB 1.039 69.435 68.868 -0.787 0.000 0.930 376 T HN 0.032 nan 8.240 nan 0.000 0.443 377 D N 2.011 122.157 120.400 -0.423 0.000 2.393 377 D HA 0.124 4.764 4.640 0.000 0.000 0.232 377 D C 0.124 176.232 176.300 -0.320 0.000 1.192 377 D CA -0.680 53.164 54.000 -0.259 0.000 0.882 377 D CB 0.328 41.032 40.800 -0.160 0.000 1.038 377 D HN 0.596 nan 8.370 nan 0.000 0.499 378 W N 2.996 124.255 121.300 -0.068 0.000 2.961 378 W HA 0.045 4.705 4.660 0.000 0.000 0.240 378 W C 1.719 178.208 176.519 -0.050 0.000 1.305 378 W CA -0.098 57.211 57.345 -0.061 0.000 1.465 378 W CB -0.060 29.369 29.460 -0.051 0.000 1.135 378 W HN 0.427 nan 8.180 nan 0.000 0.688 379 M N -0.381 119.283 119.600 0.106 0.000 2.561 379 M HA 0.021 4.501 4.480 0.000 0.000 0.238 379 M C -0.020 176.293 176.300 0.022 0.000 1.131 379 M CA 1.114 56.454 55.300 0.067 0.000 1.046 379 M CB 0.173 32.792 32.600 0.032 0.000 1.532 379 M HN -0.178 nan 8.290 nan 0.000 0.497 380 D N -0.026 120.361 120.400 -0.023 0.000 3.937 380 D HA -0.049 4.591 4.640 0.000 0.000 0.250 380 D C 0.255 176.461 176.300 -0.157 0.000 1.434 380 D CA 0.024 53.986 54.000 -0.063 0.000 0.834 380 D CB 0.141 40.906 40.800 -0.058 0.000 1.395 380 D HN 0.209 nan 8.370 nan 0.000 0.778 381 D N -0.518 119.761 120.400 -0.202 0.000 2.264 381 D HA -0.130 4.510 4.640 0.000 0.000 0.208 381 D C 0.473 176.603 176.300 -0.283 0.000 0.966 381 D CA 0.249 54.009 54.000 -0.400 0.000 0.864 381 D CB 0.065 40.500 40.800 -0.609 0.000 0.933 381 D HN 0.191 nan 8.370 nan 0.000 0.499 382 N N 0.703 119.312 118.700 -0.152 0.000 2.346 382 N HA -0.002 4.738 4.740 0.000 0.000 0.225 382 N C -0.488 174.955 175.510 -0.111 0.000 1.144 382 N CA -0.081 52.900 53.050 -0.115 0.000 0.837 382 N CB -0.163 38.289 38.487 -0.058 0.000 1.069 382 N HN 0.413 nan 8.380 nan 0.000 0.487 383 N N -0.444 118.174 118.700 -0.137 0.000 2.414 383 N HA 0.157 4.897 4.740 0.000 0.000 0.256 383 N C 1.388 176.826 175.510 -0.119 0.000 1.029 383 N CA -0.376 52.608 53.050 -0.109 0.000 0.948 383 N CB 0.906 39.332 38.487 -0.101 0.000 1.102 383 N HN 0.017 nan 8.380 nan 0.000 0.496 384 G N 3.632 112.372 108.800 -0.101 0.000 2.422 384 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 384 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 384 G C 1.305 176.145 174.900 -0.099 0.000 1.146 384 G CA 0.510 45.543 45.100 -0.112 0.000 0.769 384 G HN 0.651 nan 8.290 nan 0.000 0.547 385 I N 0.093 120.623 120.570 -0.067 0.000 2.252 385 I HA -0.119 4.052 4.170 0.000 0.000 0.245 385 I C 2.787 178.902 176.117 -0.004 0.000 1.102 385 I CA 1.112 62.395 61.300 -0.029 0.000 1.385 385 I CB -0.145 37.853 38.000 -0.004 0.000 1.064 385 I HN 0.128 nan 8.210 nan 0.000 0.414 386 K N 0.537 120.917 120.400 -0.032 0.000 2.097 386 K HA -0.126 4.194 4.320 0.000 0.000 0.205 386 K C 1.821 178.402 176.600 -0.031 0.000 1.050 386 K CA 1.113 57.382 56.287 -0.030 0.000 0.938 386 K CB -0.126 32.323 32.500 -0.084 0.000 0.718 386 K HN 0.283 nan 8.250 nan 0.000 0.442 387 N N 0.783 119.434 118.700 -0.082 0.000 2.244 387 N HA -0.142 4.599 4.740 0.000 0.000 0.183 387 N C 1.678 177.300 175.510 0.186 0.000 1.016 387 N CA 0.848 53.869 53.050 -0.047 0.000 0.866 387 N CB -0.063 38.355 38.487 -0.115 0.000 0.980 387 N HN 0.217 nan 8.380 nan 0.000 0.430 388 R N 1.082 121.636 120.500 0.090 0.000 2.062 388 R HA -0.085 4.255 4.340 0.000 0.000 0.231 388 R C 0.807 177.271 176.300 0.274 0.000 1.136 388 R CA 1.500 57.689 56.100 0.148 0.000 0.948 388 R CB -0.020 30.277 30.300 -0.006 0.000 0.845 388 R HN 0.007 nan 8.270 nan 0.000 0.430 389 D N -0.451 120.077 120.400 0.213 0.000 2.178 389 D HA -0.086 4.554 4.640 0.000 0.000 0.201 389 D C 1.675 178.122 176.300 0.245 0.000 0.980 389 D CA 1.415 55.554 54.000 0.231 0.000 0.842 389 D CB -0.459 40.448 40.800 0.179 0.000 0.948 389 D HN 0.518 nan 8.370 nan 0.000 0.472 390 G N 0.319 109.275 108.800 0.260 0.000 2.402 390 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 390 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 390 G C 1.508 176.557 174.900 0.248 0.000 1.162 390 G CA 0.179 45.477 45.100 0.331 0.000 0.777 390 G HN 0.177 nan 8.290 nan 0.000 0.539 391 L N 0.944 122.343 121.223 0.293 0.000 2.093 391 L HA 0.049 4.389 4.340 0.000 0.000 0.208 391 L C 2.266 179.190 176.870 0.090 0.000 1.085 391 L CA 1.941 56.852 54.840 0.117 0.000 0.755 391 L CB -0.583 41.606 42.059 0.216 0.000 0.904 391 L HN 0.292 nan 8.230 nan 0.000 0.435 392 D N -0.990 119.523 120.400 0.187 0.000 2.097 392 D HA -0.213 4.427 4.640 0.000 0.000 0.195 392 D C 1.698 178.079 176.300 0.135 0.000 0.989 392 D CA 1.446 55.555 54.000 0.182 0.000 0.827 392 D CB 0.095 41.057 40.800 0.271 0.000 0.966 392 D HN 0.289 nan 8.370 nan 0.000 0.456 393 D N -0.281 120.208 120.400 0.149 0.000 2.144 393 D HA -0.094 4.546 4.640 0.000 0.000 0.200 393 D C 2.305 178.617 176.300 0.020 0.000 0.978 393 D CA 0.459 54.561 54.000 0.169 0.000 0.833 393 D CB -0.115 40.885 40.800 0.333 0.000 0.961 393 D HN 0.380 nan 8.370 nan 0.000 0.470 394 I N 0.661 121.093 120.570 -0.229 0.000 2.163 394 I HA -0.252 3.918 4.170 0.000 0.000 0.243 394 I C 2.454 178.460 176.117 -0.184 0.000 1.085 394 I CA 0.776 61.870 61.300 -0.343 0.000 1.347 394 I CB -0.142 37.642 38.000 -0.361 0.000 1.044 394 I HN -0.113 nan 8.210 nan 0.000 0.408 395 V N 0.804 120.658 119.914 -0.101 0.000 2.358 395 V HA -0.197 3.923 4.120 0.000 0.000 0.246 395 V C 2.527 178.546 176.094 -0.125 0.000 1.047 395 V CA 2.149 64.401 62.300 -0.079 0.000 1.035 395 V CB -1.397 30.453 31.823 0.045 0.000 0.658 395 V HN 0.579 nan 8.190 nan 0.000 0.452 396 G N -0.433 108.351 108.800 -0.027 0.000 2.402 396 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 396 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 396 G C 1.244 176.095 174.900 -0.083 0.000 1.162 396 G CA 0.900 45.997 45.100 -0.006 0.000 0.777 396 G HN 0.486 nan 8.290 nan 0.000 0.539 397 D N -0.102 120.252 120.400 -0.076 0.000 2.084 397 D HA -0.095 4.545 4.640 0.000 0.000 0.194 397 D C 2.102 178.111 176.300 -0.484 0.000 0.990 397 D CA 1.305 55.235 54.000 -0.116 0.000 0.826 397 D CB -0.459 40.433 40.800 0.153 0.000 0.971 397 D HN 0.397 nan 8.370 nan 0.000 0.453 398 H N 0.891 119.360 119.070 -1.002 0.000 2.357 398 H HA 0.032 4.588 4.556 0.000 0.000 0.301 398 H C 1.480 176.435 175.328 -0.622 0.000 1.082 398 H CA 1.629 56.947 56.048 -1.218 0.000 1.342 398 H CB 0.072 28.912 29.762 -1.537 0.000 1.389 398 H HN 0.006 nan 8.280 nan 0.000 0.511 399 N N -0.768 117.494 118.700 -0.730 0.000 2.405 399 N HA 0.001 4.741 4.740 0.000 0.000 0.175 399 N C 1.133 176.400 175.510 -0.406 0.000 1.051 399 N CA 1.036 53.623 53.050 -0.770 0.000 0.899 399 N CB 1.120 38.745 38.487 -1.438 0.000 1.000 399 N HN 0.269 nan 8.380 nan 0.000 0.451 400 V N 0.521 120.271 119.914 -0.272 0.000 3.278 400 V HA 0.154 4.274 4.120 0.000 0.000 0.215 400 V C 2.097 178.172 176.094 -0.031 0.000 1.287 400 V CA -0.076 62.190 62.300 -0.057 0.000 1.302 400 V CB 0.059 31.917 31.823 0.058 0.000 1.228 400 V HN -0.062 nan 8.190 nan 0.000 0.523 401 I N 0.687 121.253 120.570 -0.008 0.000 2.127 401 I HA -0.308 3.862 4.170 0.000 0.000 0.241 401 I C 2.543 178.680 176.117 0.033 0.000 1.075 401 I CA 1.999 63.322 61.300 0.039 0.000 1.334 401 I CB -0.482 37.577 38.000 0.100 0.000 1.040 401 I HN 0.397 nan 8.210 nan 0.000 0.405 402 c N 0.537 119.148 118.600 0.019 0.000 2.457 402 c HA -0.011 4.559 4.570 0.000 0.000 0.278 402 c C 0.216 174.344 174.090 0.064 0.000 1.309 402 c CA 0.539 56.918 56.329 0.082 0.000 1.735 402 c CB -1.731 40.873 42.510 0.156 0.000 1.992 402 c HN 0.364 nan 8.230 nan 0.000 0.493 403 P HA -0.076 nan 4.420 nan 0.000 0.217 403 P C 1.717 179.051 177.300 0.055 0.000 1.151 403 P CA 0.991 64.072 63.100 -0.031 0.000 0.828 403 P CB -0.164 31.426 31.700 -0.183 0.000 0.788 404 L N -1.868 119.368 121.223 0.022 0.000 2.093 404 L HA -0.115 4.225 4.340 0.000 0.000 0.208 404 L C 2.040 178.965 176.870 0.092 0.000 1.085 404 L CA 1.571 56.438 54.840 0.046 0.000 0.755 404 L CB -0.491 41.565 42.059 -0.006 0.000 0.904 404 L HN -0.111 nan 8.230 nan 0.000 0.435 405 M N -1.057 118.588 119.600 0.075 0.000 2.175 405 M HA -0.199 4.281 4.480 0.000 0.000 0.264 405 M C 2.264 178.632 176.300 0.114 0.000 1.063 405 M CA 1.599 56.937 55.300 0.063 0.000 1.119 405 M CB -1.555 31.099 32.600 0.090 0.000 1.377 405 M HN 0.417 nan 8.290 nan 0.000 0.415 406 H N -0.157 118.960 119.070 0.079 0.000 2.353 406 H HA -0.182 4.375 4.556 0.000 0.000 0.300 406 H C 1.830 177.211 175.328 0.088 0.000 1.090 406 H CA 1.986 58.086 56.048 0.087 0.000 1.327 406 H CB -0.267 29.544 29.762 0.082 0.000 1.383 406 H HN 0.240 nan 8.280 nan 0.000 0.508 407 F N -0.142 119.792 119.950 -0.027 0.000 2.113 407 F HA -0.143 4.384 4.527 0.000 0.000 0.297 407 F C 2.513 178.252 175.800 -0.101 0.000 1.103 407 F CA 1.399 59.343 58.000 -0.093 0.000 1.248 407 F CB -0.926 38.020 39.000 -0.090 0.000 0.999 407 F HN 0.119 nan 8.300 nan 0.000 0.475 408 V N 1.138 120.982 119.914 -0.116 0.000 2.392 408 V HA -0.303 3.818 4.120 0.000 0.000 0.249 408 V C 2.151 178.123 176.094 -0.203 0.000 1.059 408 V CA 2.531 64.670 62.300 -0.270 0.000 1.051 408 V CB -0.618 30.960 31.823 -0.407 0.000 0.658 408 V HN 0.432 nan 8.190 nan 0.000 0.455 409 N N -0.227 118.418 118.700 -0.092 0.000 2.216 409 N HA -0.087 4.653 4.740 0.000 0.000 0.183 409 N C 1.808 177.293 175.510 -0.042 0.000 1.017 409 N CA 1.015 54.093 53.050 0.046 0.000 0.861 409 N CB -0.226 38.309 38.487 0.080 0.000 0.986 409 N HN 0.422 nan 8.380 nan 0.000 0.428 410 K N 0.436 120.730 120.400 -0.177 0.000 2.062 410 K HA -0.091 4.229 4.320 0.000 0.000 0.205 410 K C 1.920 178.499 176.600 -0.035 0.000 1.051 410 K CA 0.608 56.819 56.287 -0.127 0.000 0.941 410 K CB -0.652 31.714 32.500 -0.223 0.000 0.719 410 K HN 0.278 nan 8.250 nan 0.000 0.440 411 Y N 2.286 122.354 120.300 -0.387 0.000 2.200 411 Y HA -0.188 4.362 4.550 0.000 0.000 0.290 411 Y C 2.148 178.048 175.900 0.001 0.000 1.137 411 Y CA 1.746 59.639 58.100 -0.345 0.000 1.163 411 Y CB -0.291 37.680 38.460 -0.814 0.000 0.988 411 Y HN 0.016 nan 8.280 nan 0.000 0.518 412 T N 0.443 115.039 114.554 0.070 0.000 2.849 412 T HA -0.184 4.166 4.350 0.000 0.000 0.270 412 T C 1.647 176.334 174.700 -0.022 0.000 1.066 412 T CA 1.624 63.782 62.100 0.097 0.000 1.130 412 T CB -0.187 68.832 68.868 0.252 0.000 0.864 412 T HN 0.336 nan 8.240 nan 0.000 0.481 413 K N -0.136 120.209 120.400 -0.092 0.000 2.283 413 K HA 0.023 4.343 4.320 0.000 0.000 0.202 413 K C 1.066 177.349 176.600 -0.529 0.000 1.048 413 K CA 1.058 57.153 56.287 -0.321 0.000 0.948 413 K CB -0.022 32.214 32.500 -0.440 0.000 0.742 413 K HN 0.390 nan 8.250 nan 0.000 0.458 414 F N -0.588 119.296 119.950 -0.110 0.000 2.789 414 F HA 0.224 4.751 4.527 0.000 0.000 0.320 414 F C 1.441 177.111 175.800 -0.216 0.000 1.079 414 F CA -0.597 57.299 58.000 -0.172 0.000 1.205 414 F CB 0.058 38.898 39.000 -0.267 0.000 1.046 414 F HN -0.121 nan 8.300 nan 0.000 0.586 415 G N 0.040 108.748 108.800 -0.155 0.000 2.683 415 G HA2 -0.040 3.920 3.960 0.000 0.000 0.260 415 G HA3 -0.040 3.920 3.960 0.000 0.000 0.260 415 G C 0.314 175.235 174.900 0.035 0.000 1.238 415 G CA -0.300 44.703 45.100 -0.161 0.000 0.934 415 G HN 0.326 nan 8.290 nan 0.000 0.534 416 N N -0.503 118.274 118.700 0.128 0.000 2.282 416 N HA 0.321 5.061 4.740 0.000 0.000 0.240 416 N C 0.226 175.808 175.510 0.119 0.000 1.182 416 N CA 0.359 53.470 53.050 0.101 0.000 0.874 416 N CB 0.278 38.822 38.487 0.095 0.000 1.126 416 N HN 0.892 nan 8.380 nan 0.000 0.516 417 G N 0.867 109.746 108.800 0.132 0.000 2.414 417 G HA2 -0.042 3.918 3.960 0.000 0.000 0.213 417 G HA3 -0.042 3.918 3.960 0.000 0.000 0.213 417 G C -1.125 173.800 174.900 0.042 0.000 1.444 417 G CA -0.784 44.353 45.100 0.062 0.000 1.076 417 G HN 0.026 nan 8.290 nan 0.000 0.638 418 T N 1.905 116.378 114.554 -0.135 0.000 2.829 418 T HA 0.694 5.044 4.350 0.000 0.000 0.280 418 T C -1.060 173.386 174.700 -0.424 0.000 0.999 418 T CA -0.259 61.770 62.100 -0.119 0.000 0.983 418 T CB 1.219 70.121 68.868 0.056 0.000 0.968 418 T HN 0.403 nan 8.240 nan 0.000 0.446 419 Y N 2.109 122.354 120.300 -0.091 0.000 2.338 419 Y HA 0.632 5.182 4.550 0.000 0.000 0.333 419 Y C -0.460 175.505 175.900 0.110 0.000 0.968 419 Y CA -1.141 56.861 58.100 -0.163 0.000 1.123 419 Y CB 1.480 39.383 38.460 -0.929 0.000 1.165 419 Y HN 0.426 nan 8.280 nan 0.000 0.452 420 L N 5.774 127.370 121.223 0.621 0.000 2.334 420 L HA 0.664 5.005 4.340 0.000 0.000 0.276 420 L C -1.294 176.038 176.870 0.770 0.000 1.014 420 L CA -1.031 54.107 54.840 0.497 0.000 0.815 420 L CB 0.913 43.124 42.059 0.252 0.000 1.268 420 L HN 0.534 nan 8.230 nan 0.000 0.428 421 Y N 2.938 123.542 120.300 0.508 0.000 2.581 421 Y HA 0.715 5.265 4.550 0.000 0.000 0.345 421 Y C -1.908 174.233 175.900 0.403 0.000 1.036 421 Y CA -2.067 56.269 58.100 0.394 0.000 1.042 421 Y CB 1.310 39.962 38.460 0.321 0.000 1.289 421 Y HN 0.536 nan 8.280 nan 0.000 0.471 422 F N 4.391 124.640 119.950 0.498 0.000 2.500 422 F HA 0.478 5.005 4.527 0.000 0.000 0.349 422 F C -1.857 174.227 175.800 0.474 0.000 1.127 422 F CA -1.701 56.514 58.000 0.357 0.000 0.998 422 F CB 0.692 39.861 39.000 0.282 0.000 1.237 422 F HN 0.575 nan 8.300 nan 0.000 0.439 423 F N 7.774 127.776 119.950 0.088 0.000 2.421 423 F HA 0.291 4.819 4.527 0.000 0.000 0.358 423 F C 0.243 175.919 175.800 -0.207 0.000 1.115 423 F CA -0.213 57.807 58.000 0.033 0.000 1.160 423 F CB 0.513 39.596 39.000 0.139 0.000 1.123 423 F HN 0.543 nan 8.300 nan 0.000 0.508 424 N N 3.458 121.864 118.700 -0.489 0.000 2.588 424 N HA 0.080 4.820 4.740 0.000 0.000 0.298 424 N C -1.263 174.075 175.510 -0.287 0.000 1.718 424 N CA -0.518 52.363 53.050 -0.282 0.000 0.888 424 N CB -0.616 37.886 38.487 0.024 0.000 1.389 424 N HN 0.602 nan 8.380 nan 0.000 0.491 425 H N 0.492 119.116 119.070 -0.742 0.000 2.467 425 H HA 0.565 5.121 4.556 0.000 0.000 0.326 425 H C -0.477 174.753 175.328 -0.164 0.000 1.094 425 H CA -0.643 55.127 56.048 -0.463 0.000 1.253 425 H CB 1.166 30.540 29.762 -0.647 0.000 1.439 425 H HN 0.150 nan 8.280 nan 0.000 0.479 426 R N 4.094 124.192 120.500 -0.671 0.000 2.196 426 R HA 0.532 4.872 4.340 0.000 0.000 0.340 426 R C -0.760 175.223 176.300 -0.528 0.000 1.043 426 R CA -0.290 55.571 56.100 -0.398 0.000 0.883 426 R CB 0.112 30.293 30.300 -0.200 0.000 1.078 426 R HN 0.761 nan 8.270 nan 0.000 0.462 427 A N 3.359 126.116 122.820 -0.105 0.000 2.540 427 A HA 0.083 4.404 4.320 0.000 0.000 0.239 427 A C 1.150 178.751 177.584 0.028 0.000 1.061 427 A CA 0.516 52.645 52.037 0.153 0.000 0.758 427 A CB 0.091 19.304 19.000 0.355 0.000 0.991 427 A HN 1.055 nan 8.150 nan 0.000 0.502 428 S N 1.352 117.091 115.700 0.065 0.000 2.428 428 S HA -0.144 4.326 4.470 0.000 0.000 0.230 428 S C 0.869 175.434 174.600 -0.059 0.000 1.014 428 S CA 1.000 59.204 58.200 0.007 0.000 0.957 428 S CB -0.419 62.809 63.200 0.047 0.000 0.784 428 S HN 0.930 nan 8.310 nan 0.000 0.499 429 N N 0.955 119.570 118.700 -0.141 0.000 2.279 429 N HA 0.213 4.953 4.740 0.000 0.000 0.226 429 N C -0.088 175.352 175.510 -0.117 0.000 1.126 429 N CA -0.428 52.515 53.050 -0.178 0.000 0.846 429 N CB -0.237 38.046 38.487 -0.341 0.000 1.050 429 N HN 0.252 nan 8.380 nan 0.000 0.502 430 L N 1.909 123.102 121.223 -0.051 0.000 2.490 430 L HA 0.051 4.391 4.340 0.000 0.000 0.274 430 L C 1.288 178.144 176.870 -0.022 0.000 1.201 430 L CA 0.304 55.139 54.840 -0.009 0.000 0.869 430 L CB 1.155 43.214 42.059 -0.001 0.000 1.123 430 L HN 0.248 nan 8.230 nan 0.000 0.484 431 V N 1.418 121.302 119.914 -0.050 0.000 3.649 431 V HA 0.107 4.227 4.120 0.000 0.000 0.275 431 V C 0.463 176.552 176.094 -0.009 0.000 1.281 431 V CA -0.521 61.735 62.300 -0.073 0.000 1.143 431 V CB -0.803 30.900 31.823 -0.199 0.000 0.892 431 V HN 0.635 nan 8.190 nan 0.000 0.441 432 W N 1.656 122.969 121.300 0.022 0.000 2.359 432 W HA 0.595 5.255 4.660 0.000 0.000 0.344 432 W C -1.781 174.657 176.519 -0.135 0.000 1.170 432 W CA -2.241 55.089 57.345 -0.026 0.000 1.296 432 W CB 0.122 29.497 29.460 -0.143 0.000 1.197 432 W HN -0.059 nan 8.180 nan 0.000 0.618 433 P HA -0.017 nan 4.420 nan 0.000 0.270 433 P C 0.003 177.243 177.300 -0.100 0.000 1.223 433 P CA 0.369 63.462 63.100 -0.012 0.000 0.785 433 P CB 0.966 32.698 31.700 0.053 0.000 0.923 434 E N 0.674 120.877 120.200 0.005 0.000 2.150 434 E HA -0.126 4.224 4.350 0.000 0.000 0.193 434 E C 1.777 178.406 176.600 0.048 0.000 0.985 434 E CA 1.034 57.446 56.400 0.020 0.000 0.814 434 E CB -0.308 29.434 29.700 0.070 0.000 0.752 434 E HN 0.669 nan 8.360 nan 0.000 0.466 435 W N 0.290 121.634 121.300 0.073 0.000 2.387 435 W HA -0.131 4.530 4.660 0.000 0.000 0.272 435 W C 1.264 177.841 176.519 0.096 0.000 1.224 435 W CA 0.516 57.913 57.345 0.088 0.000 1.210 435 W CB -0.541 28.981 29.460 0.103 0.000 1.125 435 W HN 0.033 nan 8.180 nan 0.000 0.572 436 M N 1.254 120.458 119.600 -0.661 0.000 2.562 436 M HA 0.137 4.617 4.480 0.000 0.000 0.257 436 M C 1.757 177.914 176.300 -0.238 0.000 1.099 436 M CA 1.383 56.252 55.300 -0.719 0.000 1.099 436 M CB -0.600 31.400 32.600 -1.000 0.000 1.427 436 M HN 0.149 nan 8.290 nan 0.000 0.489 437 G N 0.631 109.362 108.800 -0.115 0.000 2.596 437 G HA2 -0.291 3.670 3.960 0.000 0.000 0.295 437 G HA3 -0.291 3.670 3.960 0.000 0.000 0.295 437 G C -0.180 174.697 174.900 -0.039 0.000 1.240 437 G CA -0.239 44.845 45.100 -0.028 0.000 0.985 437 G HN 0.205 nan 8.290 nan 0.000 0.555 438 V N 2.111 122.036 119.914 0.019 0.000 2.352 438 V HA 0.342 4.462 4.120 0.000 0.000 0.253 438 V C 1.173 177.325 176.094 0.096 0.000 1.083 438 V CA 0.063 62.408 62.300 0.075 0.000 0.993 438 V CB -0.167 31.715 31.823 0.099 0.000 1.111 438 V HN 0.524 nan 8.190 nan 0.000 0.490 439 I N 3.227 123.828 120.570 0.051 0.000 2.779 439 I HA 0.126 4.296 4.170 0.000 0.000 0.285 439 I C 0.884 177.136 176.117 0.225 0.000 1.134 439 I CA -0.488 60.848 61.300 0.060 0.000 1.398 439 I CB 0.211 38.117 38.000 -0.157 0.000 1.404 439 I HN 0.593 nan 8.210 nan 0.000 0.587 440 H N 4.040 123.142 119.070 0.054 0.000 3.070 440 H HA 0.188 4.744 4.556 0.000 0.000 0.313 440 H C 1.000 176.296 175.328 -0.053 0.000 0.997 440 H CA 1.002 57.056 56.048 0.009 0.000 1.438 440 H CB 0.255 29.989 29.762 -0.047 0.000 1.455 440 H HN 0.772 nan 8.280 nan 0.000 0.575 441 G N 3.608 112.190 108.800 -0.362 0.000 2.225 441 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 441 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 441 G C 0.636 175.474 174.900 -0.104 0.000 0.988 441 G CA 0.451 45.329 45.100 -0.369 0.000 0.625 441 G HN 0.640 nan 8.290 nan 0.000 0.527 442 Y N 1.649 121.990 120.300 0.067 0.000 2.477 442 Y HA 0.224 4.774 4.550 0.000 0.000 0.303 442 Y C 2.330 178.316 175.900 0.143 0.000 1.202 442 Y CA 1.079 59.300 58.100 0.202 0.000 1.282 442 Y CB 0.362 38.978 38.460 0.260 0.000 1.071 442 Y HN 0.542 nan 8.280 nan 0.000 0.510 443 E N -0.234 119.925 120.200 -0.069 0.000 2.415 443 E HA -0.036 4.315 4.350 0.000 0.000 0.197 443 E C 1.627 178.158 176.600 -0.116 0.000 1.007 443 E CA 0.515 56.620 56.400 -0.492 0.000 0.890 443 E CB -0.424 28.610 29.700 -1.111 0.000 0.891 443 E HN 0.514 nan 8.360 nan 0.000 0.496 444 I N 2.681 123.261 120.570 0.017 0.000 2.163 444 I HA -0.312 3.858 4.170 0.000 0.000 0.243 444 I C 2.613 178.779 176.117 0.082 0.000 1.085 444 I CA 2.126 63.487 61.300 0.101 0.000 1.347 444 I CB -0.442 37.662 38.000 0.173 0.000 1.044 444 I HN 0.206 nan 8.210 nan 0.000 0.408 445 E N 0.850 121.058 120.200 0.014 0.000 2.171 445 E HA -0.253 4.098 4.350 0.000 0.000 0.197 445 E C 2.023 178.497 176.600 -0.210 0.000 0.997 445 E CA 1.572 57.906 56.400 -0.111 0.000 0.810 445 E CB -0.564 29.063 29.700 -0.122 0.000 0.738 445 E HN 0.440 nan 8.360 nan 0.000 0.467 446 F N 0.982 120.860 119.950 -0.120 0.000 2.293 446 F HA -0.021 4.507 4.527 0.000 0.000 0.297 446 F C 2.288 177.934 175.800 -0.257 0.000 1.089 446 F CA 0.540 58.439 58.000 -0.169 0.000 1.377 446 F CB 0.022 38.967 39.000 -0.091 0.000 1.051 446 F HN -0.125 nan 8.300 nan 0.000 0.511 447 V N -1.262 118.579 119.914 -0.122 0.000 2.667 447 V HA -0.235 3.885 4.120 0.000 0.000 0.252 447 V C 1.486 177.382 176.094 -0.331 0.000 1.065 447 V CA 1.462 63.546 62.300 -0.360 0.000 1.083 447 V CB -0.601 31.018 31.823 -0.341 0.000 0.692 447 V HN 0.199 nan 8.190 nan 0.000 0.468 448 F N 0.362 120.175 119.950 -0.228 0.000 2.693 448 F HA 0.430 4.958 4.527 0.000 0.000 0.303 448 F C 1.819 177.511 175.800 -0.180 0.000 1.097 448 F CA 0.558 58.446 58.000 -0.187 0.000 1.330 448 F CB -0.061 38.811 39.000 -0.213 0.000 1.067 448 F HN 0.242 nan 8.300 nan 0.000 0.565 449 G N 0.118 108.823 108.800 -0.158 0.000 2.153 449 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 449 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 449 G C 1.189 175.767 174.900 -0.537 0.000 0.994 449 G CA 0.383 45.319 45.100 -0.273 0.000 0.698 449 G HN 0.244 nan 8.290 nan 0.000 0.521 450 L N 0.148 121.026 121.223 -0.575 0.000 2.129 450 L HA -0.061 4.279 4.340 0.000 0.000 0.212 450 L C 0.316 176.651 176.870 -0.890 0.000 1.087 450 L CA 2.689 57.098 54.840 -0.718 0.000 0.757 450 L CB -1.900 39.849 42.059 -0.516 0.000 0.896 450 L HN 0.213 nan 8.230 nan 0.000 0.434 451 P HA -0.098 nan 4.420 nan 0.000 0.228 451 P C 1.858 178.826 177.300 -0.554 0.000 1.151 451 P CA 0.697 63.049 63.100 -1.247 0.000 0.770 451 P CB 0.088 31.088 31.700 -1.166 0.000 0.786 452 L N -1.435 119.501 121.223 -0.479 0.000 2.552 452 L HA 0.036 4.376 4.340 0.000 0.000 0.227 452 L C 0.973 177.698 176.870 -0.242 0.000 1.146 452 L CA 0.653 55.319 54.840 -0.291 0.000 0.858 452 L CB -0.311 41.609 42.059 -0.232 0.000 0.969 452 L HN -0.068 nan 8.230 nan 0.000 0.451 453 V N 0.757 120.484 119.914 -0.311 0.000 2.328 453 V HA 0.171 4.291 4.120 0.000 0.000 0.278 453 V C 1.248 177.289 176.094 -0.089 0.000 1.021 453 V CA -0.736 61.452 62.300 -0.187 0.000 0.838 453 V CB 1.320 33.006 31.823 -0.229 0.000 0.999 453 V HN 0.136 nan 8.190 nan 0.000 0.447 454 K N 4.333 124.705 120.400 -0.047 0.000 2.052 454 K HA -0.254 4.066 4.320 0.000 0.000 0.215 454 K C 1.506 178.105 176.600 -0.002 0.000 1.053 454 K CA 2.350 58.629 56.287 -0.013 0.000 0.934 454 K CB -0.367 32.125 32.500 -0.013 0.000 0.717 454 K HN 0.886 nan 8.250 nan 0.000 0.450 455 E N 0.876 121.067 120.200 -0.014 0.000 2.393 455 E HA -0.117 4.233 4.350 0.000 0.000 0.201 455 E C 1.720 178.314 176.600 -0.010 0.000 1.025 455 E CA 0.605 56.997 56.400 -0.014 0.000 0.856 455 E CB -0.281 29.408 29.700 -0.019 0.000 0.771 455 E HN 0.290 nan 8.360 nan 0.000 0.526 456 L N 0.409 121.643 121.223 0.019 0.000 2.591 456 L HA 0.086 4.426 4.340 0.000 0.000 0.228 456 L C -0.057 176.826 176.870 0.021 0.000 1.133 456 L CA -0.192 54.683 54.840 0.058 0.000 0.880 456 L CB -0.343 41.829 42.059 0.189 0.000 1.033 456 L HN 0.136 nan 8.230 nan 0.000 0.450 457 N N -0.337 118.378 118.700 0.025 0.000 2.725 457 N HA -0.234 4.506 4.740 0.000 0.000 0.251 457 N C -0.620 174.856 175.510 -0.056 0.000 1.031 457 N CA 0.917 53.954 53.050 -0.021 0.000 0.720 457 N CB -1.543 36.901 38.487 -0.072 0.000 0.930 457 N HN 0.295 nan 8.380 nan 0.000 0.543 458 Y N 0.316 120.588 120.300 -0.047 0.000 2.392 458 Y HA 0.316 4.867 4.550 0.000 0.000 0.323 458 Y C 1.712 177.615 175.900 0.004 0.000 1.291 458 Y CA -0.300 57.787 58.100 -0.021 0.000 1.345 458 Y CB 0.662 39.077 38.460 -0.074 0.000 1.320 458 Y HN 0.099 nan 8.280 nan 0.000 0.518 459 T N -1.773 112.909 114.554 0.213 0.000 2.904 459 T HA 0.449 4.799 4.350 0.000 0.000 0.290 459 T C 1.113 175.884 174.700 0.117 0.000 1.018 459 T CA -0.294 61.888 62.100 0.137 0.000 1.075 459 T CB 1.377 70.327 68.868 0.136 0.000 0.986 459 T HN 0.773 nan 8.240 nan 0.000 0.523 460 A N 1.216 124.079 122.820 0.071 0.000 1.978 460 A HA -0.070 4.250 4.320 0.000 0.000 0.220 460 A C 2.121 179.732 177.584 0.044 0.000 1.170 460 A CA 1.650 53.714 52.037 0.045 0.000 0.636 460 A CB -0.951 18.066 19.000 0.029 0.000 0.810 460 A HN 0.906 nan 8.150 nan 0.000 0.448 461 E N 0.092 120.325 120.200 0.055 0.000 2.150 461 E HA -0.116 4.234 4.350 0.000 0.000 0.193 461 E C 1.892 178.517 176.600 0.041 0.000 0.985 461 E CA 1.396 57.816 56.400 0.034 0.000 0.814 461 E CB -0.203 29.515 29.700 0.029 0.000 0.752 461 E HN 0.777 nan 8.360 nan 0.000 0.466 462 E N 0.313 120.587 120.200 0.124 0.000 2.152 462 E HA -0.151 4.199 4.350 0.000 0.000 0.192 462 E C 1.957 178.664 176.600 0.178 0.000 0.983 462 E CA 0.688 57.242 56.400 0.257 0.000 0.818 462 E CB 0.024 30.023 29.700 0.498 0.000 0.758 462 E HN 0.302 nan 8.360 nan 0.000 0.467 463 E N 0.904 121.139 120.200 0.058 0.000 2.077 463 E HA -0.205 4.145 4.350 0.000 0.000 0.193 463 E C 2.027 178.617 176.600 -0.017 0.000 0.989 463 E CA 1.002 57.379 56.400 -0.038 0.000 0.800 463 E CB -0.031 29.643 29.700 -0.043 0.000 0.746 463 E HN 0.209 nan 8.360 nan 0.000 0.452 464 A N 1.086 123.907 122.820 0.002 0.000 1.933 464 A HA -0.158 4.162 4.320 0.000 0.000 0.218 464 A C 2.125 179.705 177.584 -0.008 0.000 1.175 464 A CA 1.253 53.282 52.037 -0.014 0.000 0.628 464 A CB -0.617 18.374 19.000 -0.014 0.000 0.814 464 A HN 0.390 nan 8.150 nan 0.000 0.444 465 L N -0.142 121.098 121.223 0.028 0.000 2.017 465 L HA -0.104 4.236 4.340 0.000 0.000 0.208 465 L C 2.538 179.469 176.870 0.101 0.000 1.073 465 L CA 2.689 57.551 54.840 0.036 0.000 0.745 465 L CB -0.897 41.159 42.059 -0.005 0.000 0.894 465 L HN 0.327 nan 8.230 nan 0.000 0.432 466 S N -0.783 115.030 115.700 0.189 0.000 2.382 466 S HA -0.202 4.268 4.470 0.000 0.000 0.228 466 S C 2.189 176.773 174.600 -0.026 0.000 1.027 466 S CA 1.331 59.599 58.200 0.114 0.000 0.991 466 S CB -0.251 62.904 63.200 -0.075 0.000 0.823 466 S HN 0.553 nan 8.310 nan 0.000 0.469 467 R N 0.661 121.135 120.500 -0.042 0.000 2.092 467 R HA -0.031 4.309 4.340 0.000 0.000 0.231 467 R C 2.641 178.894 176.300 -0.078 0.000 1.119 467 R CA 1.645 57.706 56.100 -0.064 0.000 0.970 467 R CB -0.264 29.994 30.300 -0.070 0.000 0.864 467 R HN 0.592 nan 8.270 nan 0.000 0.440 468 R N 0.214 120.646 120.500 -0.114 0.000 2.153 468 R HA 0.021 4.361 4.340 0.000 0.000 0.218 468 R C 1.949 178.064 176.300 -0.308 0.000 1.072 468 R CA 1.027 56.968 56.100 -0.264 0.000 0.990 468 R CB -0.379 29.741 30.300 -0.301 0.000 0.889 468 R HN 0.192 nan 8.270 nan 0.000 0.452 469 I N 1.237 121.755 120.570 -0.087 0.000 2.286 469 I HA -0.168 4.002 4.170 0.000 0.000 0.245 469 I C 2.514 178.606 176.117 -0.041 0.000 1.104 469 I CA 1.299 62.586 61.300 -0.021 0.000 1.397 469 I CB -0.150 37.715 38.000 -0.226 0.000 1.072 469 I HN 0.148 nan 8.210 nan 0.000 0.417 470 M N -0.554 118.994 119.600 -0.086 0.000 2.159 470 M HA -0.239 4.241 4.480 0.000 0.000 0.263 470 M C 2.357 178.730 176.300 0.121 0.000 1.063 470 M CA 1.649 56.925 55.300 -0.039 0.000 1.110 470 M CB -0.635 31.928 32.600 -0.061 0.000 1.374 470 M HN 0.265 nan 8.290 nan 0.000 0.411 471 H N -0.452 118.614 119.070 -0.007 0.000 2.428 471 H HA -0.112 4.444 4.556 0.000 0.000 0.296 471 H C 1.490 176.919 175.328 0.167 0.000 1.062 471 H CA 1.745 57.802 56.048 0.015 0.000 1.350 471 H CB 0.057 29.766 29.762 -0.088 0.000 1.403 471 H HN 0.261 nan 8.280 nan 0.000 0.533 472 Y N -0.950 119.511 120.300 0.269 0.000 2.163 472 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 472 Y C 2.511 178.584 175.900 0.289 0.000 1.136 472 Y CA 0.949 59.230 58.100 0.302 0.000 1.147 472 Y CB -0.991 37.844 38.460 0.625 0.000 0.987 472 Y HN 0.343 nan 8.280 nan 0.000 0.509 473 W N -0.362 121.028 121.300 0.151 0.000 2.354 473 W HA -0.233 4.428 4.660 0.000 0.000 0.315 473 W C 2.593 179.109 176.519 -0.005 0.000 1.206 473 W CA 1.230 58.596 57.345 0.035 0.000 1.290 473 W CB -0.564 28.858 29.460 -0.063 0.000 1.152 473 W HN 0.066 nan 8.180 nan 0.000 0.489 474 A N 0.271 123.199 122.820 0.180 0.000 1.858 474 A HA -0.183 4.138 4.320 0.000 0.000 0.216 474 A C 1.828 179.394 177.584 -0.029 0.000 1.190 474 A CA 2.456 54.514 52.037 0.036 0.000 0.617 474 A CB -1.355 17.661 19.000 0.027 0.000 0.827 474 A HN 0.207 nan 8.150 nan 0.000 0.443 475 T N -0.559 113.932 114.554 -0.105 0.000 2.720 475 T HA -0.172 4.179 4.350 0.000 0.000 0.268 475 T C 1.596 176.238 174.700 -0.095 0.000 1.037 475 T CA 1.705 63.708 62.100 -0.162 0.000 1.144 475 T CB -0.428 68.262 68.868 -0.296 0.000 0.864 475 T HN 0.485 nan 8.240 nan 0.000 0.444 476 F N 2.339 122.180 119.950 -0.183 0.000 2.075 476 F HA 0.003 4.530 4.527 0.000 0.000 0.297 476 F C 2.491 178.195 175.800 -0.160 0.000 1.113 476 F CA 1.068 58.926 58.000 -0.235 0.000 1.218 476 F CB -0.880 37.910 39.000 -0.349 0.000 0.984 476 F HN 0.141 nan 8.300 nan 0.000 0.472 477 A N 1.108 123.808 122.820 -0.201 0.000 1.948 477 A HA -0.277 4.043 4.320 0.000 0.000 0.220 477 A C 2.172 179.608 177.584 -0.247 0.000 1.177 477 A CA 2.317 54.209 52.037 -0.242 0.000 0.636 477 A CB -0.946 18.003 19.000 -0.084 0.000 0.815 477 A HN 0.663 nan 8.150 nan 0.000 0.449 478 K N -1.369 118.919 120.400 -0.186 0.000 2.361 478 K HA 0.017 4.338 4.320 0.000 0.000 0.196 478 K C 1.244 177.749 176.600 -0.157 0.000 1.039 478 K CA 1.464 57.668 56.287 -0.138 0.000 1.001 478 K CB -0.109 32.342 32.500 -0.082 0.000 0.795 478 K HN 0.512 nan 8.250 nan 0.000 0.495 479 T N -4.927 109.495 114.554 -0.221 0.000 2.992 479 T HA 0.285 4.635 4.350 0.000 0.000 0.255 479 T C 1.315 175.874 174.700 -0.234 0.000 0.938 479 T CA 0.382 62.375 62.100 -0.178 0.000 0.895 479 T CB 0.788 69.589 68.868 -0.113 0.000 1.221 479 T HN 0.322 nan 8.240 nan 0.000 0.512 480 G N 1.647 110.173 108.800 -0.457 0.000 2.144 480 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 480 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 480 G C -0.233 174.589 174.900 -0.129 0.000 0.988 480 G CA 0.029 44.827 45.100 -0.504 0.000 0.659 480 G HN 0.858 nan 8.290 nan 0.000 0.522 481 N N -0.090 118.523 118.700 -0.145 0.000 2.519 481 N HA 0.394 5.134 4.740 0.000 0.000 0.291 481 N C -1.724 173.648 175.510 -0.230 0.000 1.107 481 N CA -1.326 51.612 53.050 -0.186 0.000 0.904 481 N CB 2.484 40.943 38.487 -0.047 0.000 1.500 481 N HN -0.056 nan 8.380 nan 0.000 0.510 482 P HA -0.056 nan 4.420 nan 0.000 0.228 482 P C -0.486 176.844 177.300 0.051 0.000 1.151 482 P CA 0.682 63.642 63.100 -0.234 0.000 0.770 482 P CB 0.331 31.631 31.700 -0.666 0.000 0.786 483 N N 1.021 119.715 118.700 -0.009 0.000 2.473 483 N HA 0.177 4.917 4.740 0.000 0.000 0.291 483 N C 0.054 175.618 175.510 0.091 0.000 1.083 483 N CA -0.332 52.799 53.050 0.135 0.000 0.951 483 N CB 1.421 39.992 38.487 0.141 0.000 1.164 483 N HN 0.125 nan 8.380 nan 0.000 0.480 484 E N 1.330 121.610 120.200 0.133 0.000 2.266 484 E HA 0.309 4.659 4.350 0.000 0.000 0.277 484 E C -1.745 174.912 176.600 0.094 0.000 1.018 484 E CA -1.358 55.107 56.400 0.107 0.000 0.840 484 E CB 0.602 30.402 29.700 0.167 0.000 1.082 484 E HN 0.320 nan 8.360 nan 0.000 0.395 491 K N 1.704 122.204 120.400 0.167 0.000 2.235 491 K HA 0.248 4.568 4.320 0.000 0.000 0.266 491 K C -0.882 175.881 176.600 0.271 0.000 0.980 491 K CA -0.667 55.752 56.287 0.221 0.000 0.849 491 K CB 1.154 33.764 32.500 0.182 0.000 1.098 491 K HN 0.622 nan 8.250 nan 0.000 0.445 492 W N 7.663 129.009 121.300 0.077 0.000 2.655 492 W HA 0.064 4.725 4.660 0.000 0.000 0.333 492 W C -2.257 174.377 176.519 0.192 0.000 1.382 492 W CA -2.079 55.306 57.345 0.067 0.000 1.398 492 W CB -0.207 29.195 29.460 -0.097 0.000 1.481 492 W HN 0.413 nan 8.180 nan 0.000 0.526 493 P HA -0.015 nan 4.420 nan 0.000 0.272 493 P C -0.469 177.081 177.300 0.417 0.000 1.223 493 P CA -0.436 62.898 63.100 0.390 0.000 0.784 493 P CB 1.442 33.277 31.700 0.226 0.000 0.923 494 L N 3.503 124.835 121.223 0.180 0.000 2.426 494 L HA 0.255 4.596 4.340 0.000 0.000 0.271 494 L C -0.162 176.725 176.870 0.029 0.000 1.169 494 L CA -0.381 54.392 54.840 -0.111 0.000 0.836 494 L CB -0.633 41.339 42.059 -0.145 0.000 1.112 494 L HN 0.229 nan 8.230 nan 0.000 0.465 495 F N 4.266 124.143 119.950 -0.121 0.000 2.424 495 F HA 0.483 5.010 4.527 0.000 0.000 0.356 495 F C 0.316 176.099 175.800 -0.028 0.000 1.110 495 F CA -0.149 57.854 58.000 0.005 0.000 1.161 495 F CB 0.613 39.644 39.000 0.052 0.000 1.115 495 F HN 0.657 nan 8.300 nan 0.000 0.507 496 T N 1.116 115.371 114.554 -0.499 0.000 2.924 496 T HA 0.279 4.629 4.350 0.000 0.000 0.291 496 T C 0.900 175.316 174.700 -0.473 0.000 1.045 496 T CA -0.417 61.491 62.100 -0.320 0.000 1.015 496 T CB 1.534 70.290 68.868 -0.186 0.000 1.103 496 T HN 0.522 nan 8.240 nan 0.000 0.496 497 T N 0.794 115.226 114.554 -0.203 0.000 2.759 497 T HA -0.100 4.250 4.350 0.000 0.000 0.269 497 T C 1.758 176.361 174.700 -0.161 0.000 1.042 497 T CA 1.750 63.768 62.100 -0.137 0.000 1.140 497 T CB -0.330 68.496 68.868 -0.070 0.000 0.864 497 T HN 0.720 nan 8.240 nan 0.000 0.455 498 K N 1.474 121.782 120.400 -0.154 0.000 1.965 498 K HA -0.021 4.300 4.320 0.000 0.000 0.214 498 K C 2.164 178.682 176.600 -0.136 0.000 1.042 498 K CA 1.599 57.817 56.287 -0.116 0.000 0.950 498 K CB -0.300 32.147 32.500 -0.089 0.000 0.733 498 K HN 0.291 nan 8.250 nan 0.000 0.441 499 E N 0.378 120.480 120.200 -0.163 0.000 2.285 499 E HA -0.056 4.294 4.350 0.000 0.000 0.194 499 E C -0.426 176.053 176.600 -0.202 0.000 0.997 499 E CA 0.251 56.566 56.400 -0.142 0.000 0.845 499 E CB 0.158 29.797 29.700 -0.101 0.000 0.782 499 E HN 0.326 nan 8.360 nan 0.000 0.491 500 Q N 1.032 120.546 119.800 -0.477 0.000 2.431 500 Q HA -0.219 4.121 4.340 0.000 0.000 0.344 500 Q C -0.845 175.073 176.000 -0.136 0.000 1.384 500 Q CA 0.587 55.910 55.803 -0.800 0.000 0.984 500 Q CB -1.339 27.202 28.738 -0.328 0.000 1.204 500 Q HN 0.199 nan 8.270 nan 0.000 0.392 501 K N 0.758 121.130 120.400 -0.047 0.000 2.118 501 K HA 0.673 4.994 4.320 0.000 0.000 0.264 501 K C -0.036 176.866 176.600 0.504 0.000 1.000 501 K CA -0.229 56.170 56.287 0.186 0.000 0.929 501 K CB 0.657 33.206 32.500 0.082 0.000 1.021 501 K HN 0.259 nan 8.250 nan 0.000 0.463 502 F N -0.263 119.860 119.950 0.289 0.000 2.711 502 F HA 0.606 5.133 4.527 0.000 0.000 0.313 502 F C -1.245 174.649 175.800 0.157 0.000 1.141 502 F CA -1.500 56.689 58.000 0.315 0.000 0.941 502 F CB 0.812 40.010 39.000 0.329 0.000 1.349 502 F HN 0.424 nan 8.300 nan 0.000 0.464 503 I N -0.350 120.320 120.570 0.166 0.000 2.646 503 I HA 0.606 4.777 4.170 0.000 0.000 0.299 503 I C -1.117 175.117 176.117 0.196 0.000 1.036 503 I CA -0.794 60.444 61.300 -0.103 0.000 1.074 503 I CB 1.997 39.716 38.000 -0.469 0.000 1.258 503 I HN 0.462 nan 8.210 nan 0.000 0.430 504 D N 3.910 124.415 120.400 0.174 0.000 2.313 504 D HA 0.407 5.047 4.640 0.000 0.000 0.247 504 D C -0.854 175.520 176.300 0.124 0.000 1.094 504 D CA 0.125 54.314 54.000 0.316 0.000 0.925 504 D CB 2.154 43.133 40.800 0.298 0.000 1.188 504 D HN 0.297 nan 8.370 nan 0.000 0.430 505 L N 3.049 124.340 121.223 0.114 0.000 2.366 505 L HA 0.259 4.599 4.340 0.000 0.000 0.266 505 L C -0.703 176.040 176.870 -0.212 0.000 1.010 505 L CA -0.368 54.471 54.840 -0.002 0.000 0.879 505 L CB 0.127 42.263 42.059 0.128 0.000 1.228 505 L HN 0.451 nan 8.230 nan 0.000 0.439 506 N N -0.682 117.923 118.700 -0.160 0.000 3.418 506 N HA 0.368 5.108 4.740 0.000 0.000 0.316 506 N C 0.411 175.796 175.510 -0.208 0.000 1.601 506 N CA -0.113 52.790 53.050 -0.245 0.000 0.805 506 N CB 0.414 38.830 38.487 -0.119 0.000 1.873 506 N HN 0.053 nan 8.380 nan 0.000 0.615 507 T N -3.546 110.859 114.554 -0.248 0.000 3.148 507 T HA 0.174 4.524 4.350 0.000 0.000 0.253 507 T C -0.146 174.515 174.700 -0.065 0.000 1.134 507 T CA 0.331 62.324 62.100 -0.178 0.000 1.051 507 T CB -0.559 68.185 68.868 -0.206 0.000 0.959 507 T HN 0.473 nan 8.240 nan 0.000 0.525 508 E N 1.812 121.990 120.200 -0.038 0.000 2.227 508 E HA 0.399 4.749 4.350 0.000 0.000 0.268 508 E C -2.641 173.959 176.600 -0.000 0.000 0.990 508 E CA -2.711 53.686 56.400 -0.005 0.000 0.856 508 E CB 0.752 30.461 29.700 0.014 0.000 1.159 508 E HN 0.143 nan 8.360 nan 0.000 0.401 509 P HA -0.113 nan 4.420 nan 0.000 0.265 509 P C -0.265 177.038 177.300 0.005 0.000 1.187 509 P CA 0.457 63.563 63.100 0.011 0.000 0.766 509 P CB 0.362 32.069 31.700 0.010 0.000 0.820 510 M N 3.144 122.752 119.600 0.012 0.000 2.245 510 M HA -0.020 4.460 4.480 0.000 0.000 0.335 510 M C -0.316 175.948 176.300 -0.061 0.000 1.155 510 M CA 1.046 56.338 55.300 -0.013 0.000 1.055 510 M CB 0.200 32.808 32.600 0.013 0.000 1.670 510 M HN 0.127 nan 8.290 nan 0.000 0.447 511 K N 4.325 124.651 120.400 -0.124 0.000 2.507 511 K HA 0.447 4.767 4.320 0.000 0.000 0.251 511 K C -1.658 174.681 176.600 -0.436 0.000 0.943 511 K CA -0.628 55.506 56.287 -0.255 0.000 0.794 511 K CB 2.177 34.528 32.500 -0.247 0.000 1.188 511 K HN 0.559 nan 8.250 nan 0.000 0.428 512 V N 4.504 124.150 119.914 -0.446 0.000 2.439 512 V HA 0.326 4.447 4.120 0.000 0.000 0.282 512 V C 0.153 175.844 176.094 -0.672 0.000 1.039 512 V CA -0.438 61.595 62.300 -0.446 0.000 0.913 512 V CB 0.926 32.623 31.823 -0.210 0.000 0.983 512 V HN 0.627 nan 8.190 nan 0.000 0.460 513 H N 3.164 121.893 119.070 -0.568 0.000 2.869 513 H HA 0.671 5.228 4.556 0.000 0.000 0.342 513 H C -0.918 174.153 175.328 -0.429 0.000 1.250 513 H CA -0.805 54.880 56.048 -0.605 0.000 1.217 513 H CB 2.142 31.304 29.762 -1.000 0.000 1.917 513 H HN 0.585 nan 8.280 nan 0.000 0.586 514 Q N 0.278 120.103 119.800 0.041 0.000 2.416 514 Q HA 0.374 4.714 4.340 0.000 0.000 0.281 514 Q C -0.713 175.492 176.000 0.340 0.000 1.067 514 Q CA -0.963 54.956 55.803 0.194 0.000 0.809 514 Q CB 2.940 31.728 28.738 0.085 0.000 1.418 514 Q HN 0.470 nan 8.270 nan 0.000 0.411 515 R N 0.885 121.593 120.500 0.347 0.000 2.974 515 R HA -0.210 4.130 4.340 0.000 0.000 0.258 515 R C -0.605 175.846 176.300 0.252 0.000 0.892 515 R CA -0.135 56.129 56.100 0.272 0.000 0.664 515 R CB -1.510 28.889 30.300 0.164 0.000 1.478 515 R HN 0.463 nan 8.270 nan 0.000 0.498 516 L N 2.633 123.962 121.223 0.177 0.000 2.562 516 L HA 0.013 4.353 4.340 0.000 0.000 0.271 516 L C 0.833 177.685 176.870 -0.031 0.000 1.167 516 L CA 0.547 55.298 54.840 -0.149 0.000 0.917 516 L CB 0.025 41.711 42.059 -0.622 0.000 1.187 516 L HN 0.470 nan 8.230 nan 0.000 0.482 517 R N 2.523 123.011 120.500 -0.020 0.000 3.266 517 R HA -0.221 4.120 4.340 0.000 0.000 0.245 517 R C 1.244 177.608 176.300 0.107 0.000 0.941 517 R CA 0.675 56.806 56.100 0.052 0.000 0.638 517 R CB -1.771 28.581 30.300 0.086 0.000 1.019 517 R HN 0.704 nan 8.270 nan 0.000 0.462 518 V N 0.318 120.293 119.914 0.103 0.000 2.407 518 V HA -0.335 3.785 4.120 0.000 0.000 0.248 518 V C 2.305 178.472 176.094 0.122 0.000 1.055 518 V CA 2.561 64.935 62.300 0.123 0.000 1.049 518 V CB -0.044 31.847 31.823 0.112 0.000 0.662 518 V HN 0.510 nan 8.190 nan 0.000 0.455 519 Q N -0.610 119.245 119.800 0.091 0.000 2.030 519 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 519 Q C 2.132 178.197 176.000 0.108 0.000 0.986 519 Q CA 2.538 58.382 55.803 0.068 0.000 0.843 519 Q CB -0.381 28.367 28.738 0.017 0.000 0.904 519 Q HN 0.537 nan 8.270 nan 0.000 0.420 520 M N -0.995 118.691 119.600 0.143 0.000 2.175 520 M HA -0.128 4.352 4.480 0.000 0.000 0.264 520 M C 2.323 178.905 176.300 0.469 0.000 1.063 520 M CA 0.906 56.365 55.300 0.266 0.000 1.119 520 M CB -1.184 31.629 32.600 0.356 0.000 1.377 520 M HN 0.333 nan 8.290 nan 0.000 0.415 521 c N -0.460 118.362 118.600 0.369 0.000 2.448 521 c HA -0.012 4.558 4.570 0.000 0.000 0.280 521 c C 2.911 177.187 174.090 0.310 0.000 1.398 521 c CA 0.168 56.724 56.329 0.377 0.000 1.774 521 c CB -0.882 41.788 42.510 0.266 0.000 1.888 521 c HN 0.313 nan 8.230 nan 0.000 0.519 522 V N 0.416 120.477 119.914 0.245 0.000 2.427 522 V HA -0.194 3.926 4.120 0.000 0.000 0.248 522 V C 2.036 178.256 176.094 0.209 0.000 1.051 522 V CA 2.018 64.434 62.300 0.194 0.000 1.048 522 V CB -0.745 31.163 31.823 0.141 0.000 0.666 522 V HN 0.559 nan 8.190 nan 0.000 0.456 523 F N -0.008 119.987 119.950 0.075 0.000 2.075 523 F HA -0.184 4.344 4.527 0.000 0.000 0.297 523 F C 1.949 177.761 175.800 0.019 0.000 1.113 523 F CA 1.732 59.730 58.000 -0.005 0.000 1.218 523 F CB -0.365 38.505 39.000 -0.216 0.000 0.984 523 F HN 0.175 nan 8.300 nan 0.000 0.472 524 W N 0.341 121.736 121.300 0.158 0.000 2.518 524 W HA -0.042 4.618 4.660 0.000 0.000 0.273 524 W C 1.991 178.504 176.519 -0.010 0.000 1.247 524 W CA 0.577 57.952 57.345 0.050 0.000 1.288 524 W CB -0.370 29.243 29.460 0.255 0.000 1.107 524 W HN -0.040 nan 8.180 nan 0.000 0.586 525 N N -0.771 118.066 118.700 0.229 0.000 2.409 525 N HA -0.010 4.730 4.740 0.000 0.000 0.174 525 N C 1.421 176.955 175.510 0.040 0.000 1.037 525 N CA 0.905 54.012 53.050 0.096 0.000 0.898 525 N CB 0.005 38.580 38.487 0.146 0.000 1.010 525 N HN 0.349 nan 8.380 nan 0.000 0.445 526 Q N -1.175 118.661 119.800 0.060 0.000 2.644 526 Q HA 0.188 4.529 4.340 0.000 0.000 0.220 526 Q C 1.253 177.260 176.000 0.011 0.000 0.866 526 Q CA -0.191 55.642 55.803 0.048 0.000 0.915 526 Q CB 0.079 28.876 28.738 0.099 0.000 1.191 526 Q HN 0.094 nan 8.270 nan 0.000 0.641 527 F N 2.090 121.949 119.950 -0.151 0.000 2.031 527 F HA -0.232 4.295 4.527 0.000 0.000 0.295 527 F C 2.069 177.680 175.800 -0.316 0.000 1.133 527 F CA 1.264 59.137 58.000 -0.212 0.000 1.188 527 F CB -0.465 38.413 39.000 -0.204 0.000 0.974 527 F HN 0.046 nan 8.300 nan 0.000 0.473 528 L N 0.949 121.778 121.223 -0.657 0.000 1.990 528 L HA -0.136 4.204 4.340 0.000 0.000 0.213 528 L C -0.764 175.861 176.870 -0.407 0.000 1.072 528 L CA 2.306 56.731 54.840 -0.692 0.000 0.755 528 L CB -1.970 39.636 42.059 -0.756 0.000 0.889 528 L HN 0.026 nan 8.230 nan 0.000 0.432 529 P HA -0.248 nan 4.420 nan 0.000 0.216 529 P C 1.523 178.720 177.300 -0.173 0.000 1.157 529 P CA 1.851 64.867 63.100 -0.140 0.000 0.880 529 P CB -0.073 31.575 31.700 -0.088 0.000 0.791 530 K N -0.463 119.811 120.400 -0.211 0.000 2.097 530 K HA -0.138 4.183 4.320 0.000 0.000 0.206 530 K C 2.043 178.484 176.600 -0.265 0.000 1.049 530 K CA 0.991 57.160 56.287 -0.196 0.000 0.933 530 K CB -0.735 31.667 32.500 -0.164 0.000 0.717 530 K HN 0.045 nan 8.250 nan 0.000 0.442 531 L N 0.706 121.662 121.223 -0.444 0.000 2.056 531 L HA -0.115 4.226 4.340 0.000 0.000 0.207 531 L C 1.892 178.610 176.870 -0.253 0.000 1.078 531 L CA 1.116 55.694 54.840 -0.436 0.000 0.749 531 L CB -0.070 41.570 42.059 -0.698 0.000 0.901 531 L HN 0.212 nan 8.230 nan 0.000 0.433 532 L N -0.089 121.003 121.223 -0.218 0.000 2.156 532 L HA -0.163 4.177 4.340 0.000 0.000 0.208 532 L C 2.168 178.984 176.870 -0.090 0.000 1.095 532 L CA 1.233 55.995 54.840 -0.131 0.000 0.770 532 L CB -0.627 41.376 42.059 -0.093 0.000 0.914 532 L HN 0.401 nan 8.230 nan 0.000 0.439 533 N N 0.353 118.996 118.700 -0.095 0.000 2.331 533 N HA -0.098 4.642 4.740 0.000 0.000 0.180 533 N C 1.624 177.096 175.510 -0.063 0.000 1.019 533 N CA 1.137 54.147 53.050 -0.066 0.000 0.881 533 N CB 0.143 38.593 38.487 -0.062 0.000 0.972 533 N HN 0.244 nan 8.380 nan 0.000 0.435 534 A N -0.999 121.770 122.820 -0.084 0.000 2.132 534 A HA 0.175 4.496 4.320 0.000 0.000 0.213 534 A C 1.020 178.569 177.584 -0.059 0.000 1.154 534 A CA 1.037 53.033 52.037 -0.069 0.000 0.753 534 A CB -0.346 18.605 19.000 -0.081 0.000 0.826 534 A HN 0.471 nan 8.150 nan 0.000 0.469 535 T N 0.000 114.513 114.554 -0.069 0.000 3.816 535 T HA 0.000 4.350 4.350 0.000 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 535 T CB 0.000 68.832 68.868 -0.061 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658