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 2vja_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 0.000 174.645 174.600 0.075 0.000 1.055 4 S CA 0.000 58.229 58.200 0.049 0.000 1.107 4 S CB 0.000 63.232 63.200 0.053 0.000 0.593 5 E N 1.358 121.608 120.200 0.084 0.000 2.274 5 E HA 0.046 4.396 4.350 0.000 0.000 0.194 5 E C 1.111 177.836 176.600 0.209 0.000 0.996 5 E CA 0.952 57.427 56.400 0.126 0.000 0.840 5 E CB -0.016 29.745 29.700 0.103 0.000 0.772 5 E HN 0.661 nan 8.360 nan 0.000 0.491 6 L N 0.510 121.829 121.223 0.159 0.000 2.554 6 L HA 0.234 4.575 4.340 0.000 0.000 0.225 6 L C 0.740 177.791 176.870 0.301 0.000 1.104 6 L CA -0.138 54.807 54.840 0.175 0.000 0.866 6 L CB 0.538 42.604 42.059 0.012 0.000 1.047 6 L HN 0.114 nan 8.230 nan 0.000 0.468 7 L N 1.599 122.948 121.223 0.209 0.000 2.262 7 L HA 0.476 4.817 4.340 0.000 0.000 0.288 7 L C -1.115 175.821 176.870 0.110 0.000 1.035 7 L CA -0.327 54.620 54.840 0.178 0.000 0.820 7 L CB 1.485 43.606 42.059 0.104 0.000 1.204 7 L HN -0.219 nan 8.230 nan 0.000 0.424 8 V N 3.608 123.575 119.914 0.088 0.000 2.656 8 V HA 0.375 4.495 4.120 0.000 0.000 0.307 8 V C -0.557 175.456 176.094 -0.134 0.000 1.051 8 V CA -0.899 61.312 62.300 -0.148 0.000 0.893 8 V CB 2.220 33.716 31.823 -0.544 0.000 0.999 8 V HN 0.675 nan 8.190 nan 0.000 0.426 9 N N 2.386 120.934 118.700 -0.254 0.000 2.439 9 N HA 0.520 5.260 4.740 0.000 0.000 0.249 9 N C 0.065 175.289 175.510 -0.477 0.000 1.003 9 N CA -0.288 52.591 53.050 -0.284 0.000 0.942 9 N CB 1.423 39.721 38.487 -0.314 0.000 1.115 9 N HN 0.914 nan 8.380 nan 0.000 0.505 10 T N -1.427 112.972 114.554 -0.258 0.000 2.923 10 T HA 0.318 4.668 4.350 0.000 0.000 0.281 10 T C 0.991 175.531 174.700 -0.267 0.000 0.995 10 T CA -0.725 61.256 62.100 -0.198 0.000 0.985 10 T CB 1.249 70.245 68.868 0.212 0.000 1.114 10 T HN 0.279 nan 8.240 nan 0.000 0.548 11 K N 0.271 120.579 120.400 -0.154 0.000 2.442 11 K HA 0.001 4.321 4.320 0.000 0.000 0.198 11 K C 1.721 178.218 176.600 -0.171 0.000 1.044 11 K CA 0.852 57.058 56.287 -0.136 0.000 0.948 11 K CB -0.071 32.412 32.500 -0.028 0.000 0.762 11 K HN 0.458 nan 8.250 nan 0.000 0.472 12 S N -0.468 115.098 115.700 -0.223 0.000 2.512 12 S HA 0.207 4.677 4.470 0.000 0.000 0.216 12 S C 0.436 174.366 174.600 -1.117 0.000 1.006 12 S CA 0.126 58.065 58.200 -0.436 0.000 0.915 12 S CB 1.283 64.380 63.200 -0.172 0.000 0.824 12 S HN 0.521 nan 8.310 nan 0.000 0.497 13 G N 1.116 109.358 108.800 -0.930 0.000 2.368 13 G HA2 0.197 4.157 3.960 0.000 0.000 0.302 13 G HA3 0.197 4.157 3.960 0.000 0.000 0.302 13 G C -1.971 172.779 174.900 -0.250 0.000 1.329 13 G CA -1.137 43.358 45.100 -1.009 0.000 0.935 13 G HN 0.091 nan 8.290 nan 0.000 0.590 14 K N -0.615 119.841 120.400 0.095 0.000 2.144 14 K HA 0.657 4.977 4.320 0.000 0.000 0.270 14 K C 0.089 177.054 176.600 0.609 0.000 1.005 14 K CA -0.564 55.898 56.287 0.292 0.000 0.932 14 K CB 1.983 34.603 32.500 0.200 0.000 1.021 14 K HN 1.085 nan 8.250 nan 0.000 0.462 15 V N -0.592 119.610 119.914 0.479 0.000 2.841 15 V HA 0.586 4.706 4.120 0.000 0.000 0.310 15 V C -1.074 175.296 176.094 0.460 0.000 1.090 15 V CA -1.106 61.523 62.300 0.548 0.000 0.930 15 V CB 1.746 33.930 31.823 0.601 0.000 1.014 15 V HN 0.755 nan 8.190 nan 0.000 0.425 16 M N 4.729 124.566 119.600 0.395 0.000 2.072 16 M HA 0.821 5.301 4.480 0.000 0.000 0.331 16 M C 0.350 176.762 176.300 0.187 0.000 1.004 16 M CA 0.169 55.631 55.300 0.270 0.000 0.952 16 M CB 0.659 33.353 32.600 0.158 0.000 1.511 16 M HN 1.147 nan 8.290 nan 0.000 0.422 17 G N 1.773 110.599 108.800 0.042 0.000 2.504 17 G HA2 0.537 4.497 3.960 0.000 0.000 0.257 17 G HA3 0.537 4.497 3.960 0.000 0.000 0.257 17 G C -0.938 173.769 174.900 -0.322 0.000 1.451 17 G CA -0.190 44.613 45.100 -0.494 0.000 1.059 17 G HN 0.694 nan 8.290 nan 0.000 0.550 18 T N -1.587 112.724 114.554 -0.404 0.000 3.041 18 T HA 0.449 4.799 4.350 0.000 0.000 0.321 18 T C -0.728 173.860 174.700 -0.187 0.000 1.184 18 T CA -0.667 61.300 62.100 -0.221 0.000 1.050 18 T CB 1.355 70.119 68.868 -0.173 0.000 1.159 18 T HN 0.575 nan 8.240 nan 0.000 0.469 19 R N 3.239 123.680 120.500 -0.099 0.000 2.296 19 R HA 0.553 4.894 4.340 0.000 0.000 0.323 19 R C -0.082 176.230 176.300 0.021 0.000 1.067 19 R CA -0.306 55.777 56.100 -0.029 0.000 0.946 19 R CB 0.085 30.372 30.300 -0.021 0.000 0.991 19 R HN 0.553 nan 8.270 nan 0.000 0.448 20 V N 3.008 122.952 119.914 0.050 0.000 2.715 20 V HA 0.720 4.840 4.120 0.000 0.000 0.310 20 V C -2.406 173.694 176.094 0.010 0.000 1.054 20 V CA -2.650 59.672 62.300 0.037 0.000 0.928 20 V CB 1.706 33.541 31.823 0.020 0.000 1.007 20 V HN 0.748 nan 8.190 nan 0.000 0.437 21 P HA 0.459 nan 4.420 nan 0.000 0.277 21 P C -0.914 176.191 177.300 -0.324 0.000 1.240 21 P CA -0.236 62.640 63.100 -0.374 0.000 0.798 21 P CB 2.041 33.574 31.700 -0.279 0.000 0.979 22 V N 5.016 124.675 119.914 -0.425 0.000 2.781 22 V HA 0.118 4.238 4.120 0.000 0.000 0.289 22 V C -0.286 175.547 176.094 -0.435 0.000 1.275 22 V CA -0.720 61.342 62.300 -0.397 0.000 0.936 22 V CB 0.531 32.074 31.823 -0.467 0.000 1.074 22 V HN 0.517 nan 8.190 nan 0.000 0.444 23 L N 6.304 127.400 121.223 -0.212 0.000 3.823 23 L HA -0.185 4.155 4.340 0.000 0.000 0.525 23 L C 0.943 177.700 176.870 -0.188 0.000 1.247 23 L CA 1.013 55.762 54.840 -0.151 0.000 0.776 23 L CB -1.618 40.380 42.059 -0.102 0.000 1.443 23 L HN 1.793 nan 8.230 nan 0.000 0.831 24 S N -2.273 113.323 115.700 -0.174 0.000 3.614 24 S HA -0.195 4.276 4.470 0.000 0.000 0.360 24 S C 0.103 174.613 174.600 -0.150 0.000 1.023 24 S CA 1.203 59.322 58.200 -0.135 0.000 1.114 24 S CB -1.162 62.006 63.200 -0.052 0.000 0.907 24 S HN 1.252 nan 8.310 nan 0.000 0.470 25 S N -0.507 115.001 115.700 -0.320 0.000 2.761 25 S HA 0.791 5.261 4.470 0.000 0.000 0.290 25 S C -1.647 172.640 174.600 -0.521 0.000 1.222 25 S CA -0.345 57.728 58.200 -0.212 0.000 0.954 25 S CB 0.760 63.860 63.200 -0.166 0.000 1.281 25 S HN 0.902 nan 8.310 nan 0.000 0.527 26 H N -0.173 118.838 119.070 -0.099 0.000 3.017 26 H HA 0.822 5.378 4.556 0.000 0.000 0.346 26 H C -0.650 174.691 175.328 0.022 0.000 1.286 26 H CA -0.147 55.867 56.048 -0.058 0.000 1.120 26 H CB 1.282 31.032 29.762 -0.019 0.000 1.860 26 H HN 0.801 nan 8.280 nan 0.000 0.542 27 I N -2.573 118.102 120.570 0.176 0.000 3.066 27 I HA 0.622 4.792 4.170 0.000 0.000 0.307 27 I C -1.124 175.087 176.117 0.156 0.000 1.366 27 I CA -1.039 60.379 61.300 0.197 0.000 0.972 27 I CB 2.493 40.638 38.000 0.242 0.000 1.307 27 I HN 0.403 nan 8.210 nan 0.000 0.470 28 S N 1.829 117.628 115.700 0.166 0.000 2.565 28 S HA 0.766 5.236 4.470 0.000 0.000 0.274 28 S C -0.133 174.458 174.600 -0.015 0.000 1.309 28 S CA -0.392 57.834 58.200 0.044 0.000 1.043 28 S CB 1.305 64.597 63.200 0.153 0.000 0.939 28 S HN 0.850 nan 8.310 nan 0.000 0.504 29 A N 2.598 125.222 122.820 -0.327 0.000 2.359 29 A HA 0.752 5.072 4.320 0.000 0.000 0.303 29 A C -1.262 175.935 177.584 -0.646 0.000 1.066 29 A CA -0.644 51.124 52.037 -0.447 0.000 0.730 29 A CB 0.453 19.232 19.000 -0.369 0.000 1.211 29 A HN 0.652 nan 8.150 nan 0.000 0.439 30 F N 3.034 122.821 119.950 -0.273 0.000 2.366 30 F HA 0.482 5.009 4.527 0.000 0.000 0.366 30 F C -0.106 175.543 175.800 -0.252 0.000 1.096 30 F CA -0.420 57.501 58.000 -0.131 0.000 1.060 30 F CB 1.300 40.321 39.000 0.035 0.000 1.282 30 F HN 0.362 nan 8.300 nan 0.000 0.450 31 L N 2.272 123.425 121.223 -0.116 0.000 2.322 31 L HA 0.682 5.022 4.340 0.000 0.000 0.279 31 L C 0.959 177.838 176.870 0.015 0.000 1.036 31 L CA -1.061 53.698 54.840 -0.136 0.000 0.807 31 L CB 1.501 43.379 42.059 -0.303 0.000 1.226 31 L HN 0.840 nan 8.230 nan 0.000 0.433 32 G N 3.205 112.039 108.800 0.058 0.000 2.314 32 G HA2 -0.257 3.703 3.960 0.000 0.000 0.292 32 G HA3 -0.257 3.703 3.960 0.000 0.000 0.292 32 G C -0.160 174.815 174.900 0.125 0.000 1.059 32 G CA -0.262 44.881 45.100 0.072 0.000 0.982 32 G HN 0.491 nan 8.290 nan 0.000 0.505 33 I N 2.098 122.661 120.570 -0.012 0.000 2.352 33 I HA 0.215 4.386 4.170 0.000 0.000 0.290 33 I C -1.397 174.497 176.117 -0.371 0.000 1.036 33 I CA -2.187 58.929 61.300 -0.305 0.000 1.336 33 I CB 1.226 39.028 38.000 -0.331 0.000 1.407 33 I HN 0.025 nan 8.210 nan 0.000 0.497 34 P HA 0.001 nan 4.420 nan 0.000 0.271 34 P C -0.201 176.739 177.300 -0.600 0.000 1.226 34 P CA 0.063 62.657 63.100 -0.845 0.000 0.765 34 P CB 0.521 31.626 31.700 -0.992 0.000 0.835 35 F N 1.656 121.271 119.950 -0.559 0.000 2.706 35 F HA 0.705 5.233 4.527 0.000 0.000 0.308 35 F C 0.092 175.795 175.800 -0.162 0.000 1.095 35 F CA -0.876 56.876 58.000 -0.414 0.000 1.244 35 F CB 0.043 38.762 39.000 -0.468 0.000 1.063 35 F HN 0.355 nan 8.300 nan 0.000 0.582 36 A N -0.037 122.476 122.820 -0.511 0.000 2.593 36 A HA 0.622 4.942 4.320 0.000 0.000 0.290 36 A C -0.961 176.447 177.584 -0.295 0.000 1.126 36 A CA -0.794 51.075 52.037 -0.280 0.000 0.695 36 A CB 0.981 19.791 19.000 -0.316 0.000 1.290 36 A HN 0.055 nan 8.150 nan 0.000 0.414 37 E N 0.898 121.013 120.200 -0.143 0.000 2.331 37 E HA 0.324 4.674 4.350 0.000 0.000 0.272 37 E C -2.392 174.122 176.600 -0.143 0.000 1.036 37 E CA -1.554 54.784 56.400 -0.104 0.000 0.864 37 E CB 0.416 30.100 29.700 -0.026 0.000 1.035 37 E HN 0.215 nan 8.360 nan 0.000 0.408 38 P HA -0.008 nan 4.420 nan 0.000 0.257 38 P C -2.203 175.050 177.300 -0.078 0.000 1.189 38 P CA -0.615 62.422 63.100 -0.106 0.000 0.780 38 P CB -0.084 31.592 31.700 -0.041 0.000 0.772 39 P HA -0.004 nan 4.420 nan 0.000 0.226 39 P C -0.145 177.114 177.300 -0.069 0.000 1.783 39 P CA 0.127 63.186 63.100 -0.068 0.000 0.980 39 P CB -0.109 31.550 31.700 -0.068 0.000 1.967 40 V N -2.383 117.498 119.914 -0.054 0.000 3.193 40 V HA 0.872 4.992 4.120 0.000 0.000 0.320 40 V C 1.125 177.196 176.094 -0.038 0.000 1.112 40 V CA 0.124 62.394 62.300 -0.051 0.000 1.026 40 V CB 0.549 32.350 31.823 -0.037 0.000 1.128 40 V HN 0.534 nan 8.190 nan 0.000 0.452 41 G N 1.681 110.462 108.800 -0.032 0.000 2.629 41 G HA2 -0.400 3.560 3.960 0.000 0.000 0.313 41 G HA3 -0.400 3.560 3.960 0.000 0.000 0.313 41 G C 0.508 175.402 174.900 -0.010 0.000 1.217 41 G CA 1.168 46.259 45.100 -0.014 0.000 0.994 41 G HN 1.096 nan 8.290 nan 0.000 0.549 42 N N 0.750 119.457 118.700 0.012 0.000 2.571 42 N HA 0.201 4.942 4.740 0.000 0.000 0.189 42 N C 2.079 177.606 175.510 0.028 0.000 1.154 42 N CA 0.932 54.005 53.050 0.039 0.000 0.907 42 N CB -0.044 38.474 38.487 0.051 0.000 0.977 42 N HN 0.503 nan 8.380 nan 0.000 0.449 43 M N -0.600 118.997 119.600 -0.004 0.000 2.495 43 M HA 0.081 4.562 4.480 0.000 0.000 0.237 43 M C 0.511 176.782 176.300 -0.047 0.000 1.131 43 M CA -0.112 55.183 55.300 -0.010 0.000 1.032 43 M CB 0.373 32.965 32.600 -0.014 0.000 1.513 43 M HN 0.003 nan 8.290 nan 0.000 0.488 44 R N 0.672 121.101 120.500 -0.118 0.000 2.570 44 R HA -0.020 4.320 4.340 0.000 0.000 0.277 44 R C -0.339 175.793 176.300 -0.280 0.000 1.039 44 R CA 0.643 56.546 56.100 -0.328 0.000 1.065 44 R CB 0.229 30.194 30.300 -0.559 0.000 0.964 44 R HN 0.235 nan 8.270 nan 0.000 0.428 45 F N -0.918 119.029 119.950 -0.005 0.000 2.590 45 F HA -0.293 4.234 4.527 0.000 0.000 0.471 45 F C 0.646 176.421 175.800 -0.043 0.000 0.551 45 F CA 1.229 59.197 58.000 -0.053 0.000 1.228 45 F CB -1.443 37.509 39.000 -0.080 0.000 1.862 45 F HN 0.632 nan 8.300 nan 0.000 0.271 46 R N 1.669 122.237 120.500 0.114 0.000 2.500 46 R HA 0.496 4.836 4.340 0.000 0.000 0.275 46 R C 0.544 176.868 176.300 0.040 0.000 1.051 46 R CA -0.645 55.497 56.100 0.070 0.000 1.088 46 R CB 0.749 31.081 30.300 0.054 0.000 1.063 46 R HN 0.091 nan 8.270 nan 0.000 0.511 47 R N 2.787 123.310 120.500 0.038 0.000 2.758 47 R HA 0.016 4.356 4.340 0.000 0.000 0.263 47 R C -1.895 174.427 176.300 0.036 0.000 1.010 47 R CA -0.730 55.392 56.100 0.036 0.000 1.114 47 R CB -0.101 30.226 30.300 0.046 0.000 0.985 47 R HN 0.511 nan 8.270 nan 0.000 0.439 48 P HA 0.089 nan 4.420 nan 0.000 0.274 48 P C -0.924 176.409 177.300 0.055 0.000 1.231 48 P CA -0.091 63.037 63.100 0.047 0.000 0.790 48 P CB 0.991 32.746 31.700 0.090 0.000 0.951 49 E N 2.700 122.922 120.200 0.038 0.000 2.199 49 E HA 0.404 4.754 4.350 0.000 0.000 0.269 49 E C -2.295 174.340 176.600 0.058 0.000 0.899 49 E CA -2.982 53.446 56.400 0.047 0.000 0.772 49 E CB 0.881 30.601 29.700 0.032 0.000 1.155 49 E HN 0.313 nan 8.360 nan 0.000 0.408 50 P HA -0.038 nan 4.420 nan 0.000 0.266 50 P C -0.681 176.679 177.300 0.100 0.000 1.195 50 P CA -0.248 62.925 63.100 0.120 0.000 0.768 50 P CB 0.514 32.291 31.700 0.127 0.000 0.838 51 K N 3.842 124.311 120.400 0.116 0.000 2.436 51 K HA 0.021 4.341 4.320 0.000 0.000 0.282 51 K C 0.136 176.842 176.600 0.175 0.000 1.044 51 K CA 0.426 56.780 56.287 0.112 0.000 1.028 51 K CB -0.185 32.379 32.500 0.106 0.000 0.919 51 K HN 0.233 nan 8.250 nan 0.000 0.474 52 K N 6.082 126.577 120.400 0.158 0.000 2.401 52 K HA 0.111 4.431 4.320 0.000 0.000 0.278 52 K C -2.142 174.592 176.600 0.222 0.000 1.018 52 K CA -1.580 54.799 56.287 0.153 0.000 0.981 52 K CB 0.239 32.814 32.500 0.125 0.000 0.933 52 K HN 0.532 nan 8.250 nan 0.000 0.477 53 P HA -0.111 nan 4.420 nan 0.000 0.266 53 P C -1.172 176.215 177.300 0.145 0.000 1.186 53 P CA 0.275 63.362 63.100 -0.021 0.000 0.767 53 P CB 0.252 31.891 31.700 -0.102 0.000 0.820 54 W N 0.911 122.291 121.300 0.133 0.000 2.820 54 W HA 0.708 5.368 4.660 0.000 0.000 0.350 54 W C -0.867 175.731 176.519 0.132 0.000 1.116 54 W CA -0.910 56.531 57.345 0.161 0.000 1.146 54 W CB 0.228 29.856 29.460 0.279 0.000 1.433 54 W HN 0.370 nan 8.180 nan 0.000 0.561 55 S N 1.291 117.180 115.700 0.315 0.000 2.681 55 S HA 0.895 5.366 4.470 0.000 0.000 0.299 55 S C 0.327 175.111 174.600 0.307 0.000 1.113 55 S CA -0.130 58.181 58.200 0.186 0.000 1.013 55 S CB 0.989 64.260 63.200 0.118 0.000 1.076 55 S HN 2.195 nan 8.310 nan 0.000 0.534 56 G N -0.417 108.507 108.800 0.207 0.000 2.782 56 G HA2 -0.084 3.877 3.960 0.000 0.000 0.228 56 G HA3 -0.084 3.877 3.960 0.000 0.000 0.228 56 G C -0.834 174.260 174.900 0.322 0.000 1.372 56 G CA -0.454 44.772 45.100 0.210 0.000 0.862 56 G HN 1.555 nan 8.290 nan 0.000 0.547 57 V N 1.244 121.310 119.914 0.252 0.000 2.383 57 V HA 0.430 4.550 4.120 0.000 0.000 0.275 57 V C 0.557 176.824 176.094 0.289 0.000 1.036 57 V CA -0.493 61.990 62.300 0.305 0.000 0.889 57 V CB 1.569 33.506 31.823 0.189 0.000 0.985 57 V HN 0.686 nan 8.190 nan 0.000 0.459 58 W N 5.685 127.127 121.300 0.236 0.000 2.304 58 W HA 0.172 4.832 4.660 0.000 0.000 0.313 58 W C 0.350 176.885 176.519 0.026 0.000 1.323 58 W CA -0.442 56.892 57.345 -0.018 0.000 1.223 58 W CB 0.690 29.994 29.460 -0.260 0.000 1.237 58 W HN 0.615 nan 8.180 nan 0.000 0.535 59 N N 4.712 123.284 118.700 -0.214 0.000 2.399 59 N HA 0.157 4.897 4.740 0.000 0.000 0.259 59 N C -0.413 175.188 175.510 0.151 0.000 1.160 59 N CA 0.276 53.295 53.050 -0.051 0.000 0.946 59 N CB 0.787 39.159 38.487 -0.192 0.000 1.156 59 N HN 0.389 nan 8.380 nan 0.000 0.489 60 A N 2.791 125.760 122.820 0.249 0.000 3.106 60 A HA 0.177 4.497 4.320 0.000 0.000 0.306 60 A C 1.120 178.724 177.584 0.034 0.000 1.192 60 A CA -0.386 51.791 52.037 0.234 0.000 0.994 60 A CB -0.417 18.796 19.000 0.355 0.000 1.107 60 A HN 0.637 nan 8.150 nan 0.000 0.585 61 S N -0.894 114.789 115.700 -0.027 0.000 2.511 61 S HA 0.160 4.630 4.470 0.000 0.000 0.214 61 S C 0.777 175.288 174.600 -0.149 0.000 0.997 61 S CA 0.683 58.819 58.200 -0.106 0.000 0.908 61 S CB -0.224 62.925 63.200 -0.086 0.000 0.803 61 S HN 0.859 nan 8.310 nan 0.000 0.504 62 T N -1.139 113.341 114.554 -0.125 0.000 2.903 62 T HA 0.634 4.984 4.350 0.000 0.000 0.299 62 T C -0.810 173.831 174.700 -0.099 0.000 1.093 62 T CA -0.780 61.231 62.100 -0.148 0.000 1.002 62 T CB 0.650 69.466 68.868 -0.086 0.000 1.127 62 T HN 0.065 nan 8.240 nan 0.000 0.488 63 Y N 2.719 122.990 120.300 -0.048 0.000 2.757 63 Y HA 0.293 4.843 4.550 0.000 0.000 0.344 63 Y C -1.315 174.523 175.900 -0.104 0.000 1.263 63 Y CA -0.974 57.096 58.100 -0.049 0.000 1.493 63 Y CB 0.010 38.459 38.460 -0.017 0.000 1.342 63 Y HN 0.560 nan 8.280 nan 0.000 0.627 64 P HA 0.137 nan 4.420 nan 0.000 0.297 64 P C -0.747 176.477 177.300 -0.126 0.000 1.307 64 P CA -0.595 62.388 63.100 -0.195 0.000 0.773 64 P CB 1.002 32.483 31.700 -0.365 0.000 1.265 65 N N 0.126 118.717 118.700 -0.182 0.000 2.467 65 N HA 0.137 4.878 4.740 0.000 0.000 0.262 65 N C -0.056 175.422 175.510 -0.053 0.000 1.234 65 N CA 0.103 53.096 53.050 -0.096 0.000 0.952 65 N CB -0.010 38.427 38.487 -0.082 0.000 1.158 65 N HN 0.393 nan 8.380 nan 0.000 0.463 66 N N -0.607 118.053 118.700 -0.067 0.000 2.492 66 N HA 0.284 5.024 4.740 0.000 0.000 0.289 66 N C -0.349 175.115 175.510 -0.075 0.000 1.133 66 N CA -0.637 52.368 53.050 -0.074 0.000 0.961 66 N CB 1.069 39.487 38.487 -0.115 0.000 1.186 66 N HN 0.410 nan 8.380 nan 0.000 0.493 67 c N 1.162 119.718 118.600 -0.073 0.000 2.700 67 c HA 0.031 4.601 4.570 0.000 0.000 0.397 67 c C 0.660 174.660 174.090 -0.149 0.000 1.301 67 c CA -0.533 55.733 56.329 -0.105 0.000 2.219 67 c CB -0.098 42.373 42.510 -0.065 0.000 2.699 67 c HN 0.532 nan 8.230 nan 0.000 0.669 68 Q N 2.373 122.010 119.800 -0.273 0.000 2.311 68 Q HA 0.252 4.592 4.340 0.000 0.000 0.272 68 Q C -0.090 175.855 176.000 -0.093 0.000 1.012 68 Q CA 0.839 56.471 55.803 -0.285 0.000 0.891 68 Q CB 0.594 28.937 28.738 -0.658 0.000 1.201 68 Q HN 0.866 nan 8.270 nan 0.000 0.391 69 Q N 1.297 121.124 119.800 0.044 0.000 2.575 69 Q HA 0.321 4.662 4.340 0.000 0.000 0.290 69 Q C -1.290 174.876 176.000 0.277 0.000 0.963 69 Q CA -1.027 54.896 55.803 0.199 0.000 0.783 69 Q CB 0.832 29.645 28.738 0.127 0.000 1.467 69 Q HN 0.499 nan 8.270 nan 0.000 0.402 70 Y N 0.988 121.480 120.300 0.319 0.000 2.497 70 Y HA 0.389 4.939 4.550 0.000 0.000 0.334 70 Y C -1.077 175.004 175.900 0.301 0.000 1.199 70 Y CA 0.192 58.516 58.100 0.373 0.000 1.425 70 Y CB 0.942 39.759 38.460 0.595 0.000 1.291 70 Y HN 0.432 nan 8.280 nan 0.000 0.562 71 V N 6.297 125.918 119.914 -0.487 0.000 2.448 71 V HA 0.133 4.253 4.120 0.000 0.000 0.295 71 V C -0.740 175.057 176.094 -0.495 0.000 1.025 71 V CA -1.060 61.058 62.300 -0.304 0.000 0.859 71 V CB 1.518 33.250 31.823 -0.151 0.000 0.988 71 V HN 0.789 nan 8.190 nan 0.000 0.431 72 D N 3.638 123.986 120.400 -0.088 0.000 2.346 72 D HA 0.117 4.757 4.640 0.000 0.000 0.260 72 D C 0.550 176.896 176.300 0.076 0.000 1.252 72 D CA 0.294 54.355 54.000 0.101 0.000 0.895 72 D CB 0.767 41.768 40.800 0.335 0.000 1.097 72 D HN 0.672 nan 8.370 nan 0.000 0.489 73 E N 2.765 122.979 120.200 0.022 0.000 2.685 73 E HA 0.014 4.364 4.350 0.000 0.000 0.208 73 E C 1.022 177.604 176.600 -0.030 0.000 0.996 73 E CA -0.299 56.107 56.400 0.010 0.000 1.054 73 E CB 0.664 30.347 29.700 -0.029 0.000 1.075 73 E HN 0.469 nan 8.360 nan 0.000 0.460 74 Q N -0.383 119.375 119.800 -0.070 0.000 2.046 74 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 74 Q C -0.001 175.629 176.000 -0.616 0.000 0.975 74 Q CA 1.164 56.697 55.803 -0.449 0.000 0.836 74 Q CB 0.220 28.507 28.738 -0.751 0.000 0.896 74 Q HN 0.230 nan 8.270 nan 0.000 0.428 75 F N 0.723 120.739 119.950 0.111 0.000 2.453 75 F HA 0.369 4.896 4.527 0.000 0.000 0.358 75 F C -2.114 173.761 175.800 0.125 0.000 1.129 75 F CA -2.974 55.073 58.000 0.077 0.000 1.200 75 F CB 0.964 40.005 39.000 0.069 0.000 1.431 75 F HN -0.148 nan 8.300 nan 0.000 0.503 76 P HA 0.190 nan 4.420 nan 0.000 0.264 76 P C 1.017 178.400 177.300 0.138 0.000 1.193 76 P CA 1.016 64.193 63.100 0.128 0.000 0.763 76 P CB 0.895 32.636 31.700 0.068 0.000 0.810 77 G N 2.674 111.537 108.800 0.106 0.000 2.267 77 G HA2 -0.308 3.652 3.960 0.000 0.000 0.257 77 G HA3 -0.308 3.652 3.960 0.000 0.000 0.257 77 G C 0.079 175.038 174.900 0.099 0.000 0.998 77 G CA -0.301 44.844 45.100 0.075 0.000 0.620 77 G HN 0.547 nan 8.290 nan 0.000 0.529 78 F N 3.457 123.399 119.950 -0.014 0.000 2.502 78 F HA 0.499 5.026 4.527 0.000 0.000 0.371 78 F C 1.683 177.421 175.800 -0.104 0.000 1.083 78 F CA -0.094 57.847 58.000 -0.097 0.000 1.174 78 F CB 1.017 39.940 39.000 -0.129 0.000 1.096 78 F HN 0.274 nan 8.300 nan 0.000 0.545 79 S N 3.186 118.496 115.700 -0.649 0.000 2.442 79 S HA -0.085 4.385 4.470 0.000 0.000 0.236 79 S C 2.121 176.263 174.600 -0.762 0.000 1.007 79 S CA 0.818 58.669 58.200 -0.583 0.000 0.965 79 S CB -0.963 61.971 63.200 -0.444 0.000 0.773 79 S HN 0.803 nan 8.310 nan 0.000 0.504 80 G N 1.619 109.423 108.800 -1.660 0.000 2.422 80 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 80 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 80 G C 1.696 176.715 174.900 0.198 0.000 1.140 80 G CA 1.053 45.519 45.100 -1.058 0.000 0.775 80 G HN 0.775 nan 8.290 nan 0.000 0.545 81 S N -0.279 115.560 115.700 0.232 0.000 2.475 81 S HA 0.150 4.621 4.470 0.000 0.000 0.224 81 S C 1.819 176.691 174.600 0.454 0.000 1.042 81 S CA 0.724 59.403 58.200 0.797 0.000 0.935 81 S CB 0.100 63.897 63.200 0.995 0.000 0.801 81 S HN 0.375 nan 8.310 nan 0.000 0.509 82 E N 1.875 122.171 120.200 0.159 0.000 2.208 82 E HA -0.026 4.324 4.350 0.000 0.000 0.193 82 E C 2.067 178.607 176.600 -0.100 0.000 0.988 82 E CA 1.200 57.627 56.400 0.045 0.000 0.828 82 E CB -0.381 29.311 29.700 -0.013 0.000 0.763 82 E HN 0.811 nan 8.360 nan 0.000 0.478 83 M N -1.618 117.818 119.600 -0.273 0.000 2.539 83 M HA -0.102 4.378 4.480 0.000 0.000 0.261 83 M C 0.749 176.636 176.300 -0.688 0.000 1.069 83 M CA 1.368 56.337 55.300 -0.552 0.000 1.081 83 M CB -0.324 31.812 32.600 -0.773 0.000 1.412 83 M HN 0.055 nan 8.290 nan 0.000 0.482 84 W N 0.734 121.972 121.300 -0.104 0.000 3.177 84 W HA 0.308 4.968 4.660 0.000 0.000 0.309 84 W C 0.259 176.696 176.519 -0.138 0.000 1.224 84 W CA -0.932 56.322 57.345 -0.153 0.000 1.718 84 W CB -0.031 29.379 29.460 -0.083 0.000 1.078 84 W HN 0.086 nan 8.180 nan 0.000 0.618 85 N N 1.581 120.319 118.700 0.063 0.000 2.513 85 N HA 0.169 4.909 4.740 0.000 0.000 0.274 85 N C -2.490 172.975 175.510 -0.074 0.000 1.189 85 N CA -1.590 51.470 53.050 0.015 0.000 0.975 85 N CB -0.025 38.478 38.487 0.026 0.000 1.157 85 N HN -0.362 nan 8.380 nan 0.000 0.465 86 P HA 0.026 nan 4.420 nan 0.000 0.262 86 P C 0.125 177.359 177.300 -0.111 0.000 1.182 86 P CA 0.045 63.076 63.100 -0.114 0.000 0.761 86 P CB 0.220 31.865 31.700 -0.093 0.000 0.795 87 N N 3.870 122.487 118.700 -0.138 0.000 2.279 87 N HA 0.050 4.790 4.740 0.000 0.000 0.226 87 N C -0.018 175.438 175.510 -0.091 0.000 1.126 87 N CA -0.268 52.710 53.050 -0.120 0.000 0.846 87 N CB 0.134 38.531 38.487 -0.150 0.000 1.050 87 N HN 0.409 nan 8.380 nan 0.000 0.502 88 R N -2.167 118.281 120.500 -0.086 0.000 2.741 88 R HA 0.334 4.674 4.340 0.000 0.000 0.274 88 R C -1.265 174.995 176.300 -0.066 0.000 1.029 88 R CA -0.923 55.138 56.100 -0.065 0.000 0.880 88 R CB 0.353 30.620 30.300 -0.055 0.000 1.264 88 R HN -0.194 nan 8.270 nan 0.000 0.465 89 E N 1.290 121.456 120.200 -0.057 0.000 2.708 89 E HA -0.060 4.290 4.350 0.000 0.000 0.260 89 E C -0.491 176.069 176.600 -0.067 0.000 0.937 89 E CA 0.899 57.265 56.400 -0.057 0.000 0.953 89 E CB 0.422 30.089 29.700 -0.055 0.000 0.915 89 E HN 0.313 nan 8.360 nan 0.000 0.487 90 M N 2.292 121.852 119.600 -0.067 0.000 2.277 90 M HA 0.315 4.795 4.480 0.000 0.000 0.350 90 M C -0.179 176.067 176.300 -0.089 0.000 1.180 90 M CA -0.161 55.090 55.300 -0.082 0.000 1.103 90 M CB 1.558 34.110 32.600 -0.081 0.000 1.577 90 M HN 0.436 nan 8.290 nan 0.000 0.459 91 S N 0.772 116.407 115.700 -0.109 0.000 2.543 91 S HA 0.216 4.686 4.470 0.000 0.000 0.274 91 S C -0.029 174.484 174.600 -0.146 0.000 1.149 91 S CA -0.690 57.445 58.200 -0.110 0.000 0.866 91 S CB 1.464 64.626 63.200 -0.062 0.000 1.111 91 S HN 0.841 nan 8.310 nan 0.000 0.457 92 E N 0.905 121.000 120.200 -0.175 0.000 2.268 92 E HA -0.073 4.277 4.350 0.000 0.000 0.195 92 E C -0.303 176.235 176.600 -0.103 0.000 0.995 92 E CA 0.628 56.907 56.400 -0.202 0.000 0.836 92 E CB 0.093 29.676 29.700 -0.195 0.000 0.763 92 E HN 0.553 nan 8.360 nan 0.000 0.491 93 D N 0.163 120.538 120.400 -0.043 0.000 2.517 93 D HA -0.000 4.640 4.640 0.000 0.000 0.220 93 D C 0.017 176.408 176.300 0.152 0.000 1.158 93 D CA -0.335 53.683 54.000 0.031 0.000 0.992 93 D CB -0.109 40.731 40.800 0.066 0.000 1.058 93 D HN 0.112 nan 8.370 nan 0.000 0.516 94 c N 2.256 120.912 118.600 0.093 0.000 3.512 94 c HA 0.393 4.964 4.570 0.000 0.000 0.276 94 c C 0.601 174.778 174.090 0.144 0.000 1.592 94 c CA -0.740 55.706 56.329 0.194 0.000 1.803 94 c CB -1.341 41.201 42.510 0.053 0.000 2.996 94 c HN 0.420 nan 8.230 nan 0.000 0.590 95 L N 2.560 123.628 121.223 -0.259 0.000 2.395 95 L HA 0.401 4.741 4.340 0.000 0.000 0.268 95 L C -0.816 175.358 176.870 -1.160 0.000 1.223 95 L CA 0.573 55.002 54.840 -0.684 0.000 1.093 95 L CB -0.680 40.826 42.059 -0.921 0.000 1.349 95 L HN 0.377 nan 8.230 nan 0.000 0.427 96 Y N 2.264 122.405 120.300 -0.266 0.000 2.634 96 Y HA 0.696 5.247 4.550 0.000 0.000 0.340 96 Y C -0.168 175.840 175.900 0.180 0.000 1.058 96 Y CA -1.288 56.738 58.100 -0.124 0.000 1.081 96 Y CB 1.914 40.322 38.460 -0.086 0.000 1.295 96 Y HN 0.206 nan 8.280 nan 0.000 0.487 97 L N -0.258 121.102 121.223 0.228 0.000 2.376 97 L HA 0.747 5.087 4.340 0.000 0.000 0.258 97 L C -1.438 175.460 176.870 0.047 0.000 1.013 97 L CA -1.235 53.689 54.840 0.140 0.000 0.822 97 L CB 1.936 43.987 42.059 -0.013 0.000 1.388 97 L HN 0.488 nan 8.230 nan 0.000 0.413 98 N N 1.844 120.596 118.700 0.086 0.000 2.269 98 N HA 0.756 5.496 4.740 0.000 0.000 0.304 98 N C -1.261 174.209 175.510 -0.068 0.000 1.072 98 N CA -0.263 52.761 53.050 -0.043 0.000 0.802 98 N CB 2.752 41.223 38.487 -0.027 0.000 1.348 98 N HN 0.659 nan 8.380 nan 0.000 0.484 99 I N 0.168 120.611 120.570 -0.213 0.000 2.647 99 I HA 0.433 4.603 4.170 0.000 0.000 0.295 99 I C -0.876 175.198 176.117 -0.072 0.000 1.078 99 I CA -0.725 60.555 61.300 -0.033 0.000 1.048 99 I CB 2.523 40.449 38.000 -0.124 0.000 1.239 99 I HN 0.241 nan 8.210 nan 0.000 0.421 100 W N 5.284 126.730 121.300 0.244 0.000 2.538 100 W HA 0.581 5.242 4.660 0.000 0.000 0.322 100 W C -1.250 175.418 176.519 0.248 0.000 1.028 100 W CA -0.601 56.884 57.345 0.233 0.000 1.228 100 W CB 2.180 31.743 29.460 0.173 0.000 1.356 100 W HN 0.066 nan 8.180 nan 0.000 0.452 101 V N 5.555 125.750 119.914 0.468 0.000 2.495 101 V HA 0.357 4.477 4.120 0.000 0.000 0.298 101 V C -1.785 174.506 176.094 0.328 0.000 1.031 101 V CA -2.224 60.313 62.300 0.394 0.000 0.871 101 V CB 2.051 34.156 31.823 0.470 0.000 0.988 101 V HN 0.239 nan 8.190 nan 0.000 0.432 102 P HA 0.139 nan 4.420 nan 0.000 0.272 102 P C -0.558 176.868 177.300 0.211 0.000 1.223 102 P CA -0.046 63.195 63.100 0.235 0.000 0.784 102 P CB 1.164 32.968 31.700 0.173 0.000 0.923 103 S N 2.159 117.984 115.700 0.207 0.000 2.449 103 S HA 0.515 4.985 4.470 0.000 0.000 0.310 103 S C -2.157 172.529 174.600 0.144 0.000 1.096 103 S CA -1.578 56.722 58.200 0.168 0.000 1.095 103 S CB 0.003 63.299 63.200 0.159 0.000 1.007 103 S HN 0.305 nan 8.310 nan 0.000 0.474 104 P HA 0.197 nan 4.420 nan 0.000 0.275 104 P C -0.587 176.781 177.300 0.113 0.000 1.228 104 P CA -0.616 62.545 63.100 0.101 0.000 0.786 104 P CB 0.426 32.171 31.700 0.075 0.000 0.927 105 R N 3.487 124.061 120.500 0.124 0.000 2.488 105 R HA 0.046 4.387 4.340 0.000 0.000 0.317 105 R C -1.552 174.809 176.300 0.102 0.000 0.941 105 R CA -0.802 55.379 56.100 0.135 0.000 1.076 105 R CB -0.174 30.209 30.300 0.138 0.000 0.917 105 R HN 0.430 nan 8.270 nan 0.000 0.407 106 P HA 0.119 nan 4.420 nan 0.000 0.286 106 P C -1.264 176.073 177.300 0.061 0.000 1.293 106 P CA -0.197 62.947 63.100 0.073 0.000 0.770 106 P CB 0.723 32.467 31.700 0.074 0.000 1.206 107 K N -0.550 119.875 120.400 0.041 0.000 2.413 107 K HA 0.283 4.603 4.320 0.000 0.000 0.257 107 K C -0.173 176.435 176.600 0.013 0.000 0.946 107 K CA -0.553 55.749 56.287 0.025 0.000 0.823 107 K CB 1.157 33.667 32.500 0.016 0.000 1.109 107 K HN 0.460 nan 8.250 nan 0.000 0.427 108 S N 1.354 117.055 115.700 0.002 0.000 3.477 108 S HA -0.184 4.286 4.470 0.000 0.000 0.371 108 S C 0.102 174.700 174.600 -0.003 0.000 0.965 108 S CA 0.999 59.190 58.200 -0.014 0.000 1.239 108 S CB -1.111 62.072 63.200 -0.028 0.000 0.918 108 S HN 0.740 nan 8.310 nan 0.000 0.498 109 T N 1.431 115.995 114.554 0.017 0.000 2.824 109 T HA 0.528 4.879 4.350 0.000 0.000 0.277 109 T C 0.489 175.201 174.700 0.020 0.000 0.975 109 T CA 0.347 62.461 62.100 0.023 0.000 0.966 109 T CB 0.959 69.853 68.868 0.044 0.000 1.054 109 T HN 0.471 nan 8.240 nan 0.000 0.533 110 T N 2.279 116.842 114.554 0.016 0.000 2.916 110 T HA 0.399 4.749 4.350 0.000 0.000 0.303 110 T C -0.315 174.408 174.700 0.039 0.000 1.025 110 T CA -0.402 61.705 62.100 0.011 0.000 1.142 110 T CB 0.473 69.335 68.868 -0.009 0.000 0.947 110 T HN 0.419 nan 8.240 nan 0.000 0.544 111 V N 4.400 124.342 119.914 0.047 0.000 2.715 111 V HA 0.560 4.680 4.120 0.000 0.000 0.310 111 V C -0.102 176.050 176.094 0.096 0.000 1.054 111 V CA -0.884 61.468 62.300 0.087 0.000 0.928 111 V CB 1.840 33.719 31.823 0.092 0.000 1.007 111 V HN 0.836 nan 8.190 nan 0.000 0.437 112 M N 3.603 123.291 119.600 0.146 0.000 2.263 112 M HA 0.536 5.016 4.480 0.000 0.000 0.295 112 M C -1.381 175.169 176.300 0.417 0.000 1.028 112 M CA -0.588 54.818 55.300 0.177 0.000 0.921 112 M CB 2.270 34.848 32.600 -0.035 0.000 1.601 112 M HN 0.360 nan 8.290 nan 0.000 0.440 113 V N 3.129 123.329 119.914 0.476 0.000 2.347 113 V HA 0.316 4.436 4.120 0.000 0.000 0.280 113 V C -0.740 175.646 176.094 0.487 0.000 1.021 113 V CA -0.570 61.985 62.300 0.425 0.000 0.847 113 V CB 1.332 33.273 31.823 0.197 0.000 0.990 113 V HN 0.854 nan 8.190 nan 0.000 0.444 114 W N 6.998 128.381 121.300 0.137 0.000 2.316 114 W HA 0.594 5.254 4.660 0.000 0.000 0.311 114 W C -1.178 175.205 176.519 -0.225 0.000 1.217 114 W CA -0.721 56.414 57.345 -0.351 0.000 1.199 114 W CB 1.144 30.461 29.460 -0.238 0.000 1.202 114 W HN 0.444 nan 8.180 nan 0.000 0.528 115 I N 9.539 129.355 120.570 -1.257 0.000 2.437 115 I HA 0.036 4.206 4.170 0.000 0.000 0.279 115 I C -0.247 175.085 176.117 -1.307 0.000 1.028 115 I CA -1.096 59.603 61.300 -1.001 0.000 1.142 115 I CB 0.407 38.029 38.000 -0.630 0.000 1.266 115 I HN 0.289 nan 8.210 nan 0.000 0.461 116 Y N 4.426 124.229 120.300 -0.828 0.000 2.652 116 Y HA 0.525 5.075 4.550 0.000 0.000 0.344 116 Y C 0.776 176.533 175.900 -0.239 0.000 1.254 116 Y CA -0.678 57.129 58.100 -0.488 0.000 1.480 116 Y CB -0.167 38.292 38.460 -0.001 0.000 1.345 116 Y HN 0.500 nan 8.280 nan 0.000 0.617 117 G N -0.534 108.315 108.800 0.082 0.000 2.606 117 G HA2 0.506 4.466 3.960 0.000 0.000 0.262 117 G HA3 0.506 4.466 3.960 0.000 0.000 0.262 117 G C 0.319 175.183 174.900 -0.061 0.000 1.394 117 G CA -0.930 44.136 45.100 -0.056 0.000 1.044 117 G HN 1.738 nan 8.290 nan 0.000 0.553 118 G N -2.820 105.798 108.800 -0.304 0.000 2.207 118 G HA2 0.402 4.362 3.960 0.000 0.000 0.193 118 G HA3 0.402 4.362 3.960 0.000 0.000 0.193 118 G C 1.059 175.493 174.900 -0.777 0.000 1.050 118 G CA 0.717 45.514 45.100 -0.504 0.000 0.780 118 G HN 2.309 nan 8.290 nan 0.000 0.504 119 G N -0.502 107.866 108.800 -0.720 0.000 2.233 119 G HA2 -0.128 3.832 3.960 0.000 0.000 0.270 119 G HA3 -0.128 3.832 3.960 0.000 0.000 0.270 119 G C 0.950 175.662 174.900 -0.314 0.000 1.011 119 G CA 0.880 45.421 45.100 -0.932 0.000 0.762 119 G HN 1.740 nan 8.290 nan 0.000 0.511 120 F N -3.559 116.333 119.950 -0.097 0.000 2.825 120 F HA -0.318 4.209 4.527 0.000 0.000 0.358 120 F C 1.510 177.411 175.800 0.169 0.000 0.639 120 F CA 2.179 60.222 58.000 0.071 0.000 1.153 120 F CB -2.026 36.889 39.000 -0.142 0.000 1.610 120 F HN 0.903 nan 8.300 nan 0.000 0.305 121 Y N -0.553 119.815 120.300 0.114 0.000 2.481 121 Y HA 0.660 5.210 4.550 0.000 0.000 0.247 121 Y C 0.626 176.615 175.900 0.147 0.000 1.151 121 Y CA 0.290 58.471 58.100 0.135 0.000 1.238 121 Y CB 0.053 38.505 38.460 -0.014 0.000 1.179 121 Y HN 0.123 nan 8.280 nan 0.000 0.524 122 S N -1.012 114.445 115.700 -0.406 0.000 2.703 122 S HA 0.834 5.305 4.470 0.000 0.000 0.273 122 S C -0.274 174.123 174.600 -0.339 0.000 1.178 122 S CA -0.491 57.512 58.200 -0.329 0.000 0.838 122 S CB 1.275 64.209 63.200 -0.444 0.000 1.178 122 S HN 1.348 nan 8.310 nan 0.000 0.494 123 G N -0.271 108.300 108.800 -0.382 0.000 2.528 123 G HA2 0.424 4.385 3.960 0.000 0.000 0.681 123 G HA3 0.424 4.385 3.960 0.000 0.000 0.681 123 G C -0.954 173.291 174.900 -1.092 0.000 1.340 123 G CA -0.312 44.398 45.100 -0.651 0.000 0.855 123 G HN 1.453 nan 8.290 nan 0.000 0.649 124 S N -0.756 114.360 115.700 -0.974 0.000 2.564 124 S HA 0.724 5.194 4.470 0.000 0.000 0.274 124 S C 1.008 175.480 174.600 -0.213 0.000 1.124 124 S CA 0.061 57.876 58.200 -0.643 0.000 0.869 124 S CB 1.840 64.852 63.200 -0.313 0.000 1.105 124 S HN 1.976 nan 8.310 nan 0.000 0.472 125 S N -0.190 115.594 115.700 0.141 0.000 2.558 125 S HA -0.052 4.418 4.470 0.000 0.000 0.217 125 S C 1.358 176.079 174.600 0.202 0.000 0.975 125 S CA 0.829 59.300 58.200 0.453 0.000 0.912 125 S CB -0.661 62.819 63.200 0.467 0.000 0.776 125 S HN 0.844 nan 8.310 nan 0.000 0.526 126 T N 0.230 114.697 114.554 -0.144 0.000 3.107 126 T HA 0.392 4.742 4.350 0.000 0.000 0.249 126 T C 0.563 174.952 174.700 -0.519 0.000 1.096 126 T CA -0.521 61.189 62.100 -0.650 0.000 1.012 126 T CB -0.606 67.785 68.868 -0.794 0.000 0.977 126 T HN 0.326 nan 8.240 nan 0.000 0.527 127 L N 2.043 123.046 121.223 -0.367 0.000 2.506 127 L HA 0.126 4.467 4.340 0.000 0.000 0.281 127 L C 1.360 177.965 176.870 -0.441 0.000 1.228 127 L CA -0.468 54.067 54.840 -0.508 0.000 0.850 127 L CB 0.306 41.833 42.059 -0.887 0.000 1.110 127 L HN 0.064 nan 8.230 nan 0.000 0.496 128 D N 1.194 121.362 120.400 -0.386 0.000 2.123 128 D HA -0.148 4.492 4.640 0.000 0.000 0.196 128 D C 1.976 178.076 176.300 -0.334 0.000 0.992 128 D CA 1.473 55.315 54.000 -0.264 0.000 0.833 128 D CB -0.104 40.555 40.800 -0.234 0.000 0.954 128 D HN 0.541 nan 8.370 nan 0.000 0.455 129 V N -1.393 118.189 119.914 -0.554 0.000 3.383 129 V HA -0.137 3.983 4.120 0.000 0.000 0.272 129 V C 0.951 176.645 176.094 -0.666 0.000 1.181 129 V CA 1.021 62.977 62.300 -0.572 0.000 1.171 129 V CB -1.108 30.299 31.823 -0.694 0.000 0.800 129 V HN 0.072 nan 8.190 nan 0.000 0.515 130 Y N -0.216 119.641 120.300 -0.740 0.000 2.584 130 Y HA 0.441 4.991 4.550 0.000 0.000 0.254 130 Y C 1.088 176.631 175.900 -0.596 0.000 1.177 130 Y CA -1.803 55.596 58.100 -1.169 0.000 1.216 130 Y CB -0.849 37.244 38.460 -0.611 0.000 1.172 130 Y HN 0.281 nan 8.280 nan 0.000 0.529 131 N N 1.606 120.188 118.700 -0.198 0.000 2.417 131 N HA -0.038 4.702 4.740 0.000 0.000 0.272 131 N C 1.301 176.577 175.510 -0.389 0.000 1.304 131 N CA 0.707 53.657 53.050 -0.167 0.000 0.906 131 N CB 1.101 39.569 38.487 -0.032 0.000 1.135 131 N HN 0.483 nan 8.380 nan 0.000 0.483 132 G N 3.310 111.335 108.800 -1.291 0.000 2.920 132 G HA2 -0.160 3.800 3.960 0.000 0.000 0.208 132 G HA3 -0.160 3.800 3.960 0.000 0.000 0.208 132 G C 1.431 175.684 174.900 -1.079 0.000 1.159 132 G CA 0.234 44.674 45.100 -1.100 0.000 0.784 132 G HN 0.746 nan 8.290 nan 0.000 0.535 133 K N -0.374 119.270 120.400 -1.260 0.000 2.097 133 K HA -0.128 4.192 4.320 0.000 0.000 0.206 133 K C 1.758 178.130 176.600 -0.380 0.000 1.049 133 K CA 1.054 56.925 56.287 -0.693 0.000 0.933 133 K CB -0.565 31.599 32.500 -0.560 0.000 0.717 133 K HN 0.377 nan 8.250 nan 0.000 0.442 134 Y N 1.244 121.450 120.300 -0.155 0.000 2.145 134 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 134 Y C 2.472 178.357 175.900 -0.024 0.000 1.145 134 Y CA 0.763 58.827 58.100 -0.059 0.000 1.148 134 Y CB -0.398 38.004 38.460 -0.097 0.000 0.981 134 Y HN 0.034 nan 8.280 nan 0.000 0.507 135 L N 0.385 121.632 121.223 0.041 0.000 2.056 135 L HA -0.078 4.263 4.340 0.000 0.000 0.207 135 L C 2.335 179.208 176.870 0.004 0.000 1.078 135 L CA 1.853 56.668 54.840 -0.042 0.000 0.749 135 L CB -1.038 40.892 42.059 -0.214 0.000 0.901 135 L HN 0.146 nan 8.230 nan 0.000 0.433 136 A N -1.295 121.538 122.820 0.023 0.000 1.902 136 A HA -0.263 4.057 4.320 0.000 0.000 0.217 136 A C 2.290 179.956 177.584 0.138 0.000 1.181 136 A CA 1.840 53.941 52.037 0.106 0.000 0.623 136 A CB -1.135 17.981 19.000 0.193 0.000 0.818 136 A HN 0.654 nan 8.150 nan 0.000 0.443 137 Y N 0.867 121.184 120.300 0.027 0.000 2.130 137 Y HA -0.154 4.396 4.550 0.000 0.000 0.287 137 Y C 2.664 178.586 175.900 0.037 0.000 1.124 137 Y CA 2.450 60.574 58.100 0.039 0.000 1.118 137 Y CB -0.725 37.746 38.460 0.018 0.000 0.994 137 Y HN 0.269 nan 8.280 nan 0.000 0.497 138 T N 0.613 115.180 114.554 0.023 0.000 2.699 138 T HA -0.172 4.178 4.350 0.000 0.000 0.268 138 T C 1.285 175.921 174.700 -0.106 0.000 1.036 138 T CA 1.862 63.906 62.100 -0.094 0.000 1.147 138 T CB -0.172 68.732 68.868 0.060 0.000 0.862 138 T HN 0.373 nan 8.240 nan 0.000 0.446 139 E N 0.489 120.670 120.200 -0.031 0.000 2.481 139 E HA 0.092 4.443 4.350 0.000 0.000 0.198 139 E C 0.014 176.615 176.600 0.002 0.000 1.027 139 E CA 0.011 56.417 56.400 0.009 0.000 0.900 139 E CB 0.129 29.853 29.700 0.041 0.000 0.993 139 E HN 0.594 nan 8.360 nan 0.000 0.482 140 E N 0.324 120.510 120.200 -0.022 0.000 2.240 140 E HA -0.167 4.183 4.350 0.000 0.000 0.194 140 E C -0.110 176.517 176.600 0.044 0.000 1.385 140 E CA 0.505 56.909 56.400 0.006 0.000 0.686 140 E CB -1.986 27.703 29.700 -0.018 0.000 1.125 140 E HN 0.108 nan 8.360 nan 0.000 0.359 141 V N -3.526 116.429 119.914 0.068 0.000 3.102 141 V HA 0.670 4.790 4.120 0.000 0.000 0.312 141 V C 0.284 176.459 176.094 0.135 0.000 1.135 141 V CA -1.172 61.175 62.300 0.079 0.000 1.022 141 V CB 2.371 34.225 31.823 0.051 0.000 1.056 141 V HN -0.007 nan 8.190 nan 0.000 0.436 142 V N 3.271 123.273 119.914 0.147 0.000 2.385 142 V HA 0.392 4.512 4.120 0.000 0.000 0.269 142 V C -0.129 176.103 176.094 0.230 0.000 1.043 142 V CA -0.112 62.310 62.300 0.203 0.000 0.906 142 V CB 0.923 32.852 31.823 0.177 0.000 0.995 142 V HN 0.750 nan 8.190 nan 0.000 0.467 143 L N 7.319 128.736 121.223 0.322 0.000 2.272 143 L HA 0.619 4.959 4.340 0.000 0.000 0.289 143 L C -0.352 176.818 176.870 0.500 0.000 1.032 143 L CA 0.264 55.339 54.840 0.392 0.000 0.810 143 L CB 1.609 43.888 42.059 0.367 0.000 1.205 143 L HN 0.426 nan 8.230 nan 0.000 0.422 144 V N 3.753 123.930 119.914 0.439 0.000 2.495 144 V HA 0.655 4.776 4.120 0.000 0.000 0.298 144 V C -0.285 176.084 176.094 0.458 0.000 1.031 144 V CA -0.484 62.046 62.300 0.383 0.000 0.871 144 V CB 1.908 33.877 31.823 0.244 0.000 0.988 144 V HN 0.873 nan 8.190 nan 0.000 0.432 145 S N 5.415 121.395 115.700 0.466 0.000 2.552 145 S HA 0.822 5.292 4.470 0.000 0.000 0.314 145 S C -0.784 174.003 174.600 0.312 0.000 1.099 145 S CA -0.760 57.730 58.200 0.484 0.000 1.070 145 S CB 1.418 65.021 63.200 0.673 0.000 0.998 145 S HN 0.648 nan 8.310 nan 0.000 0.474 146 L N 1.071 122.410 121.223 0.192 0.000 2.492 146 L HA 1.004 5.344 4.340 0.000 0.000 0.263 146 L C 0.116 177.116 176.870 0.216 0.000 1.062 146 L CA -0.714 54.206 54.840 0.133 0.000 0.817 146 L CB 0.420 42.440 42.059 -0.065 0.000 1.441 146 L HN 0.846 nan 8.230 nan 0.000 0.493 147 S N -1.546 114.351 115.700 0.328 0.000 2.661 147 S HA 0.907 5.377 4.470 0.000 0.000 0.285 147 S C -1.301 173.562 174.600 0.440 0.000 1.138 147 S CA -0.513 57.909 58.200 0.370 0.000 0.855 147 S CB 1.591 65.042 63.200 0.419 0.000 1.136 147 S HN 1.237 nan 8.310 nan 0.000 0.484 148 Y N -1.895 118.539 120.300 0.223 0.000 2.565 148 Y HA 0.647 5.198 4.550 0.000 0.000 0.330 148 Y C -0.817 175.223 175.900 0.233 0.000 1.150 148 Y CA -1.359 56.858 58.100 0.196 0.000 1.055 148 Y CB 0.633 39.162 38.460 0.115 0.000 1.337 148 Y HN 0.785 nan 8.280 nan 0.000 0.457 149 R N 1.970 122.604 120.500 0.223 0.000 2.570 149 R HA 0.479 4.820 4.340 0.000 0.000 0.277 149 R C -0.141 176.324 176.300 0.276 0.000 1.039 149 R CA 0.064 56.253 56.100 0.148 0.000 1.065 149 R CB 0.690 31.044 30.300 0.091 0.000 0.964 149 R HN 0.692 nan 8.270 nan 0.000 0.428 150 V N -0.033 120.058 119.914 0.294 0.000 3.166 150 V HA 0.908 5.029 4.120 0.000 0.000 0.317 150 V C 0.672 177.087 176.094 0.534 0.000 1.136 150 V CA -0.109 62.486 62.300 0.490 0.000 1.035 150 V CB 1.294 33.296 31.823 0.298 0.000 1.110 150 V HN 0.990 nan 8.190 nan 0.000 0.450 151 G N 0.637 109.796 108.800 0.599 0.000 2.645 151 G HA2 0.079 4.039 3.960 0.000 0.000 0.246 151 G HA3 0.079 4.039 3.960 0.000 0.000 0.246 151 G C 0.952 176.070 174.900 0.364 0.000 1.322 151 G CA 0.733 46.145 45.100 0.520 0.000 0.898 151 G HN 2.226 nan 8.290 nan 0.000 0.573 152 A N -1.261 121.499 122.820 -0.101 0.000 1.948 152 A HA 0.143 4.464 4.320 0.000 0.000 0.220 152 A C 2.243 179.738 177.584 -0.148 0.000 1.177 152 A CA 2.666 54.289 52.037 -0.690 0.000 0.636 152 A CB -0.557 17.791 19.000 -1.086 0.000 0.815 152 A HN 1.046 nan 8.150 nan 0.000 0.449 153 F N 0.010 120.021 119.950 0.101 0.000 2.154 153 F HA -0.090 4.437 4.527 0.000 0.000 0.301 153 F C 2.477 178.287 175.800 0.016 0.000 1.087 153 F CA 1.356 59.370 58.000 0.022 0.000 1.274 153 F CB -0.664 38.308 39.000 -0.047 0.000 1.009 153 F HN 0.301 nan 8.300 nan 0.000 0.485 154 G N -2.650 106.251 108.800 0.169 0.000 2.833 154 G HA2 0.070 4.030 3.960 0.000 0.000 0.210 154 G HA3 0.070 4.030 3.960 0.000 0.000 0.210 154 G C 0.736 175.206 174.900 -0.717 0.000 1.139 154 G CA 0.080 45.044 45.100 -0.227 0.000 0.771 154 G HN 0.337 nan 8.290 nan 0.000 0.535 155 F N -0.476 119.561 119.950 0.145 0.000 2.899 155 F HA 0.418 4.945 4.527 0.000 0.000 0.337 155 F C 0.322 176.168 175.800 0.076 0.000 1.129 155 F CA -1.009 57.052 58.000 0.101 0.000 1.128 155 F CB 0.470 39.544 39.000 0.122 0.000 1.154 155 F HN -0.090 nan 8.300 nan 0.000 0.531 156 L N 2.367 123.587 121.223 -0.005 0.000 2.584 156 L HA 0.415 4.755 4.340 0.000 0.000 0.272 156 L C 0.194 177.027 176.870 -0.063 0.000 1.195 156 L CA 0.225 54.943 54.840 -0.203 0.000 0.920 156 L CB 0.121 41.766 42.059 -0.691 0.000 1.173 156 L HN 0.160 nan 8.230 nan 0.000 0.489 157 A N 6.965 129.809 122.820 0.040 0.000 2.304 157 A HA 0.663 4.983 4.320 0.000 0.000 0.314 157 A C -0.650 176.941 177.584 0.012 0.000 1.187 157 A CA -0.502 51.557 52.037 0.037 0.000 0.810 157 A CB 0.631 19.683 19.000 0.087 0.000 1.183 157 A HN 0.745 nan 8.150 nan 0.000 0.487 158 L N 3.505 124.725 121.223 -0.004 0.000 2.556 158 L HA 0.207 4.547 4.340 0.000 0.000 0.243 158 L C -0.098 176.797 176.870 0.041 0.000 1.331 158 L CA -0.741 54.095 54.840 -0.007 0.000 0.927 158 L CB 0.349 42.361 42.059 -0.077 0.000 1.219 158 L HN 0.923 nan 8.230 nan 0.000 0.490 159 H N 1.317 120.378 119.070 -0.015 0.000 3.173 159 H HA 0.196 4.753 4.556 0.000 0.000 0.311 159 H C 1.160 176.484 175.328 -0.007 0.000 0.972 159 H CA 1.832 57.879 56.048 -0.001 0.000 1.384 159 H CB 0.768 30.535 29.762 0.008 0.000 1.349 159 H HN 0.673 nan 8.280 nan 0.000 0.582 160 G N 2.552 111.091 108.800 -0.434 0.000 2.424 160 G HA2 -0.267 3.693 3.960 0.000 0.000 0.207 160 G HA3 -0.267 3.693 3.960 0.000 0.000 0.207 160 G C 0.506 175.311 174.900 -0.158 0.000 1.061 160 G CA 0.196 45.112 45.100 -0.305 0.000 0.657 160 G HN 0.902 nan 8.290 nan 0.000 0.508 161 S N 0.168 115.805 115.700 -0.104 0.000 2.601 161 S HA 0.581 5.051 4.470 0.000 0.000 0.271 161 S C 0.976 175.547 174.600 -0.048 0.000 1.305 161 S CA 0.323 58.482 58.200 -0.069 0.000 1.022 161 S CB 1.370 64.530 63.200 -0.066 0.000 0.940 161 S HN 0.269 nan 8.310 nan 0.000 0.525 162 Q N 1.251 121.033 119.800 -0.029 0.000 2.247 162 Q HA 0.227 4.567 4.340 0.000 0.000 0.211 162 Q C 0.851 176.858 176.000 0.011 0.000 0.861 162 Q CA 0.103 55.903 55.803 -0.006 0.000 0.949 162 Q CB 0.417 29.153 28.738 -0.003 0.000 1.115 162 Q HN 0.686 nan 8.270 nan 0.000 0.507 163 E N 0.317 120.519 120.200 0.003 0.000 2.250 163 E HA 0.126 4.476 4.350 0.000 0.000 0.192 163 E C 0.138 176.772 176.600 0.057 0.000 0.986 163 E CA 0.399 56.816 56.400 0.028 0.000 0.849 163 E CB 0.723 30.424 29.700 0.002 0.000 0.797 163 E HN 0.105 nan 8.360 nan 0.000 0.482 164 A N 1.684 124.510 122.820 0.009 0.000 3.409 164 A HA 0.267 4.587 4.320 0.000 0.000 0.282 164 A C -2.110 175.463 177.584 -0.019 0.000 1.064 164 A CA -0.798 51.234 52.037 -0.010 0.000 0.889 164 A CB 0.589 19.493 19.000 -0.160 0.000 1.251 164 A HN -0.119 nan 8.150 nan 0.000 0.538 165 P HA 0.144 nan 4.420 nan 0.000 0.229 165 P C 0.878 178.222 177.300 0.075 0.000 1.160 165 P CA 1.696 64.824 63.100 0.046 0.000 0.777 165 P CB 0.177 31.907 31.700 0.049 0.000 0.814 166 G N 0.843 109.668 108.800 0.041 0.000 2.690 166 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 166 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 166 G C -0.045 174.865 174.900 0.017 0.000 1.277 166 G CA -0.285 44.846 45.100 0.052 0.000 0.799 166 G HN 0.130 nan 8.290 nan 0.000 0.613 167 N N -2.341 116.366 118.700 0.013 0.000 2.863 167 N HA -0.296 4.444 4.740 0.000 0.000 0.245 167 N C 1.987 177.337 175.510 -0.265 0.000 1.001 167 N CA 2.482 55.474 53.050 -0.097 0.000 0.901 167 N CB -1.702 36.676 38.487 -0.181 0.000 1.124 167 N HN 1.885 nan 8.380 nan 0.000 0.582 168 V N -2.485 117.271 119.914 -0.263 0.000 2.568 168 V HA -0.105 4.015 4.120 0.000 0.000 0.253 168 V C 2.391 178.330 176.094 -0.258 0.000 1.072 168 V CA 2.428 64.612 62.300 -0.193 0.000 1.084 168 V CB -1.110 30.649 31.823 -0.107 0.000 0.676 168 V HN 0.311 nan 8.190 nan 0.000 0.469 169 G N 0.423 108.841 108.800 -0.638 0.000 2.418 169 G HA2 -0.152 3.808 3.960 0.000 0.000 0.217 169 G HA3 -0.152 3.808 3.960 0.000 0.000 0.217 169 G C 1.561 176.424 174.900 -0.061 0.000 1.158 169 G CA 1.151 46.023 45.100 -0.381 0.000 0.771 169 G HN 0.530 nan 8.290 nan 0.000 0.545 170 L N -0.109 121.042 121.223 -0.120 0.000 2.093 170 L HA 0.051 4.392 4.340 0.000 0.000 0.208 170 L C 2.857 179.749 176.870 0.037 0.000 1.085 170 L CA 0.387 55.144 54.840 -0.138 0.000 0.755 170 L CB -0.298 41.393 42.059 -0.613 0.000 0.904 170 L HN 0.182 nan 8.230 nan 0.000 0.435 171 L N -0.562 120.667 121.223 0.010 0.000 2.131 171 L HA -0.219 4.121 4.340 0.000 0.000 0.210 171 L C 2.185 179.134 176.870 0.132 0.000 1.092 171 L CA 0.926 55.844 54.840 0.130 0.000 0.759 171 L CB -0.597 41.516 42.059 0.090 0.000 0.903 171 L HN 0.292 nan 8.230 nan 0.000 0.435 172 D N -0.148 120.330 120.400 0.129 0.000 2.097 172 D HA -0.195 4.445 4.640 0.000 0.000 0.195 172 D C 2.279 178.665 176.300 0.144 0.000 0.989 172 D CA 1.128 55.278 54.000 0.250 0.000 0.827 172 D CB -0.198 40.791 40.800 0.314 0.000 0.966 172 D HN 0.408 nan 8.370 nan 0.000 0.456 173 Q N 0.225 120.066 119.800 0.069 0.000 2.096 173 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 173 Q C 2.292 178.207 176.000 -0.142 0.000 0.982 173 Q CA 1.049 56.811 55.803 -0.068 0.000 0.850 173 Q CB -0.087 28.642 28.738 -0.017 0.000 0.901 173 Q HN 0.216 nan 8.270 nan 0.000 0.422 174 R N 0.695 121.190 120.500 -0.009 0.000 2.081 174 R HA -0.136 4.205 4.340 0.000 0.000 0.235 174 R C 2.219 178.483 176.300 -0.059 0.000 1.131 174 R CA 1.496 57.569 56.100 -0.046 0.000 0.960 174 R CB -0.182 30.188 30.300 0.116 0.000 0.856 174 R HN 0.262 nan 8.270 nan 0.000 0.436 175 M N -0.011 119.582 119.600 -0.010 0.000 2.213 175 M HA -0.108 4.372 4.480 0.000 0.000 0.263 175 M C 2.026 178.242 176.300 -0.142 0.000 1.062 175 M CA 1.865 57.186 55.300 0.034 0.000 1.105 175 M CB 0.012 32.742 32.600 0.217 0.000 1.385 175 M HN 0.336 nan 8.290 nan 0.000 0.417 176 A N 0.261 122.725 122.820 -0.592 0.000 1.930 176 A HA -0.085 4.235 4.320 0.000 0.000 0.217 176 A C 1.954 179.408 177.584 -0.216 0.000 1.175 176 A CA 1.225 52.746 52.037 -0.859 0.000 0.627 176 A CB -0.828 17.437 19.000 -1.225 0.000 0.815 176 A HN 0.560 nan 8.150 nan 0.000 0.443 177 L N -1.017 120.106 121.223 -0.168 0.000 2.093 177 L HA -0.206 4.134 4.340 0.000 0.000 0.208 177 L C 2.817 179.722 176.870 0.058 0.000 1.085 177 L CA 1.623 56.437 54.840 -0.043 0.000 0.755 177 L CB -0.479 41.515 42.059 -0.109 0.000 0.904 177 L HN 0.478 nan 8.230 nan 0.000 0.435 178 Q N -0.244 119.577 119.800 0.036 0.000 2.124 178 Q HA -0.267 4.073 4.340 0.000 0.000 0.202 178 Q C 1.995 178.085 176.000 0.150 0.000 0.977 178 Q CA 1.897 57.737 55.803 0.062 0.000 0.850 178 Q CB -0.471 28.290 28.738 0.038 0.000 0.901 178 Q HN 0.501 nan 8.270 nan 0.000 0.429 179 W N -0.862 120.440 121.300 0.003 0.000 2.388 179 W HA -0.110 4.550 4.660 0.000 0.000 0.294 179 W C 1.685 178.237 176.519 0.054 0.000 1.212 179 W CA 1.487 58.860 57.345 0.048 0.000 1.271 179 W CB -0.034 29.449 29.460 0.039 0.000 1.126 179 W HN 0.004 nan 8.180 nan 0.000 0.535 180 V N 0.068 120.166 119.914 0.306 0.000 2.427 180 V HA -0.340 3.780 4.120 0.000 0.000 0.248 180 V C 2.529 178.622 176.094 -0.002 0.000 1.051 180 V CA 2.264 64.664 62.300 0.168 0.000 1.048 180 V CB -1.243 30.692 31.823 0.186 0.000 0.666 180 V HN 0.337 nan 8.190 nan 0.000 0.456 181 H N 0.390 119.432 119.070 -0.047 0.000 2.421 181 H HA -0.153 4.403 4.556 0.000 0.000 0.298 181 H C 1.662 176.895 175.328 -0.158 0.000 1.087 181 H CA 1.893 57.894 56.048 -0.079 0.000 1.330 181 H CB 0.129 29.866 29.762 -0.041 0.000 1.388 181 H HN 0.438 nan 8.280 nan 0.000 0.526 182 D N -0.631 119.724 120.400 -0.076 0.000 2.366 182 D HA 0.002 4.643 4.640 0.000 0.000 0.205 182 D C 1.088 177.175 176.300 -0.355 0.000 1.022 182 D CA 0.258 54.154 54.000 -0.172 0.000 0.868 182 D CB 0.200 40.944 40.800 -0.093 0.000 0.953 182 D HN 0.469 nan 8.370 nan 0.000 0.514 183 N N -0.057 118.332 118.700 -0.518 0.000 2.168 183 N HA 0.032 4.772 4.740 0.000 0.000 0.216 183 N C 1.498 176.873 175.510 -0.225 0.000 1.259 183 N CA -0.147 52.630 53.050 -0.455 0.000 0.902 183 N CB 1.215 39.146 38.487 -0.928 0.000 1.079 183 N HN -0.007 nan 8.380 nan 0.000 0.507 184 I N 3.273 123.712 120.570 -0.220 0.000 2.361 184 I HA -0.270 3.900 4.170 0.000 0.000 0.251 184 I C 2.595 178.710 176.117 -0.003 0.000 1.133 184 I CA 1.537 62.840 61.300 0.006 0.000 1.413 184 I CB -0.228 37.762 38.000 -0.017 0.000 1.073 184 I HN 0.184 nan 8.210 nan 0.000 0.424 185 Q N -0.752 118.873 119.800 -0.291 0.000 2.234 185 Q HA -0.251 4.089 4.340 0.000 0.000 0.206 185 Q C 1.826 177.663 176.000 -0.270 0.000 0.980 185 Q CA 1.773 57.375 55.803 -0.336 0.000 0.869 185 Q CB -0.890 27.532 28.738 -0.527 0.000 0.912 185 Q HN 0.423 nan 8.270 nan 0.000 0.436 186 F N -0.353 119.557 119.950 -0.067 0.000 2.604 186 F HA 0.108 4.636 4.527 0.000 0.000 0.298 186 F C 0.786 176.344 175.800 -0.403 0.000 1.131 186 F CA 0.158 58.008 58.000 -0.250 0.000 1.457 186 F CB -0.057 38.713 39.000 -0.384 0.000 1.095 186 F HN 0.016 nan 8.300 nan 0.000 0.574 187 F N -0.846 119.115 119.950 0.019 0.000 2.661 187 F HA 0.457 4.984 4.527 0.000 0.000 0.306 187 F C 1.717 177.537 175.800 0.033 0.000 1.094 187 F CA 0.161 58.155 58.000 -0.010 0.000 1.254 187 F CB 0.145 39.102 39.000 -0.072 0.000 1.040 187 F HN 0.009 nan 8.300 nan 0.000 0.562 188 G N 0.180 109.065 108.800 0.142 0.000 2.175 188 G HA2 -0.173 3.787 3.960 0.000 0.000 0.244 188 G HA3 -0.173 3.787 3.960 0.000 0.000 0.244 188 G C 0.634 175.582 174.900 0.081 0.000 0.982 188 G CA -0.295 44.865 45.100 0.099 0.000 0.641 188 G HN 0.720 nan 8.290 nan 0.000 0.527 189 G N -0.310 108.542 108.800 0.088 0.000 2.448 189 G HA2 0.480 4.441 3.960 0.000 0.000 0.285 189 G HA3 0.480 4.441 3.960 0.000 0.000 0.285 189 G C -0.636 174.254 174.900 -0.018 0.000 1.176 189 G CA 0.373 45.504 45.100 0.051 0.000 0.852 189 G HN 0.293 nan 8.290 nan 0.000 0.530 190 D N 1.891 122.279 120.400 -0.020 0.000 2.467 190 D HA 0.255 4.896 4.640 0.000 0.000 0.220 190 D C -0.817 175.442 176.300 -0.068 0.000 1.103 190 D CA -2.407 51.560 54.000 -0.054 0.000 0.886 190 D CB 1.555 42.332 40.800 -0.038 0.000 1.025 190 D HN 0.084 nan 8.370 nan 0.000 0.514 191 P HA -0.191 nan 4.420 nan 0.000 0.222 191 P C 0.480 177.713 177.300 -0.112 0.000 1.142 191 P CA 1.010 64.015 63.100 -0.159 0.000 0.788 191 P CB 0.336 31.839 31.700 -0.329 0.000 0.767 192 K N -1.094 119.249 120.400 -0.095 0.000 2.404 192 K HA 0.112 4.432 4.320 0.000 0.000 0.194 192 K C 0.310 176.887 176.600 -0.038 0.000 1.023 192 K CA 0.492 56.743 56.287 -0.061 0.000 1.094 192 K CB 0.224 32.684 32.500 -0.067 0.000 0.841 192 K HN 0.035 nan 8.250 nan 0.000 0.523 193 T N 1.194 115.730 114.554 -0.029 0.000 3.532 193 T HA 0.214 4.565 4.350 0.000 0.000 0.241 193 T C -0.651 174.055 174.700 0.010 0.000 1.238 193 T CA -0.368 61.718 62.100 -0.022 0.000 1.405 193 T CB 0.616 69.462 68.868 -0.037 0.000 0.971 193 T HN -0.236 nan 8.240 nan 0.000 0.640 194 V N 2.007 121.952 119.914 0.051 0.000 2.394 194 V HA 0.478 4.598 4.120 0.000 0.000 0.282 194 V C 0.357 176.546 176.094 0.159 0.000 1.031 194 V CA -0.364 61.999 62.300 0.105 0.000 0.881 194 V CB 1.694 33.600 31.823 0.138 0.000 0.982 194 V HN 0.506 nan 8.190 nan 0.000 0.451 195 T N 6.574 121.211 114.554 0.139 0.000 2.779 195 T HA 0.602 4.952 4.350 0.000 0.000 0.280 195 T C -0.208 174.620 174.700 0.214 0.000 0.987 195 T CA -0.176 62.025 62.100 0.168 0.000 0.966 195 T CB 0.794 69.712 68.868 0.083 0.000 0.933 195 T HN 0.597 nan 8.240 nan 0.000 0.442 196 I N 1.763 122.449 120.570 0.193 0.000 2.392 196 I HA 0.877 5.047 4.170 0.000 0.000 0.295 196 I C -0.927 175.385 176.117 0.325 0.000 0.985 196 I CA -1.048 60.355 61.300 0.172 0.000 1.221 196 I CB 1.088 38.977 38.000 -0.186 0.000 1.366 196 I HN 0.478 nan 8.210 nan 0.000 0.467 197 F N 2.917 122.904 119.950 0.062 0.000 2.619 197 F HA 1.001 5.528 4.527 0.000 0.000 0.308 197 F C -0.460 175.301 175.800 -0.066 0.000 1.097 197 F CA -1.445 56.625 58.000 0.116 0.000 0.953 197 F CB 1.319 40.515 39.000 0.327 0.000 1.287 197 F HN 0.820 nan 8.300 nan 0.000 0.446 198 G N 1.012 109.670 108.800 -0.236 0.000 2.646 198 G HA2 0.501 4.461 3.960 0.000 0.000 0.291 198 G HA3 0.501 4.461 3.960 0.000 0.000 0.291 198 G C -2.484 172.232 174.900 -0.308 0.000 1.445 198 G CA -0.788 43.808 45.100 -0.841 0.000 0.814 198 G HN 0.852 nan 8.290 nan 0.000 0.495 199 E N 0.290 120.295 120.200 -0.325 0.000 2.227 199 E HA 0.627 4.977 4.350 0.000 0.000 0.268 199 E C 0.774 177.331 176.600 -0.072 0.000 0.907 199 E CA 0.269 56.668 56.400 -0.001 0.000 0.786 199 E CB 2.114 31.939 29.700 0.208 0.000 1.191 199 E HN 0.765 nan 8.360 nan 0.000 0.411 200 S N 2.648 118.364 115.700 0.027 0.000 4.138 200 S HA -0.401 4.070 4.470 0.000 0.000 0.574 200 S C 1.467 176.152 174.600 0.143 0.000 1.895 200 S CA 2.275 60.561 58.200 0.144 0.000 4.239 200 S CB -1.604 61.620 63.200 0.040 0.000 0.264 200 S HN 0.927 nan 8.310 nan 0.000 0.489 201 A N 1.081 123.865 122.820 -0.060 0.000 2.070 201 A HA 0.209 4.530 4.320 0.000 0.000 0.220 201 A C 2.388 179.749 177.584 -0.371 0.000 1.159 201 A CA 2.213 54.056 52.037 -0.324 0.000 0.656 201 A CB -1.418 17.049 19.000 -0.888 0.000 0.800 201 A HN 1.480 nan 8.150 nan 0.000 0.453 202 G N -0.620 108.010 108.800 -0.283 0.000 2.421 202 G HA2 0.100 4.060 3.960 0.000 0.000 0.217 202 G HA3 0.100 4.060 3.960 0.000 0.000 0.217 202 G C 1.433 176.160 174.900 -0.289 0.000 1.143 202 G CA 1.089 45.965 45.100 -0.374 0.000 0.784 202 G HN 0.629 nan 8.290 nan 0.000 0.541 203 G N 0.960 109.658 108.800 -0.170 0.000 2.403 203 G HA2 0.133 4.094 3.960 0.000 0.000 0.216 203 G HA3 0.133 4.094 3.960 0.000 0.000 0.216 203 G C 2.006 176.813 174.900 -0.154 0.000 1.154 203 G CA 1.336 46.365 45.100 -0.117 0.000 0.784 203 G HN 0.563 nan 8.290 nan 0.000 0.538 204 A N 0.862 123.614 122.820 -0.114 0.000 1.933 204 A HA 0.032 4.352 4.320 0.000 0.000 0.218 204 A C 2.686 180.209 177.584 -0.103 0.000 1.175 204 A CA 2.196 54.145 52.037 -0.147 0.000 0.628 204 A CB -0.564 18.377 19.000 -0.097 0.000 0.814 204 A HN 0.295 nan 8.150 nan 0.000 0.444 205 S N -0.423 115.224 115.700 -0.088 0.000 2.348 205 S HA -0.142 4.328 4.470 0.000 0.000 0.221 205 S C 1.926 176.427 174.600 -0.165 0.000 1.033 205 S CA 1.420 59.542 58.200 -0.129 0.000 1.010 205 S CB -0.560 62.520 63.200 -0.200 0.000 0.891 205 S HN 0.340 nan 8.310 nan 0.000 0.442 206 V N 1.733 121.567 119.914 -0.133 0.000 2.282 206 V HA -0.230 3.890 4.120 0.000 0.000 0.249 206 V C 2.601 178.638 176.094 -0.094 0.000 1.057 206 V CA 2.104 64.339 62.300 -0.108 0.000 1.032 206 V CB -1.507 30.242 31.823 -0.122 0.000 0.645 206 V HN 0.613 nan 8.190 nan 0.000 0.447 207 G N -0.974 107.720 108.800 -0.178 0.000 2.418 207 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 207 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 207 G C 1.587 176.468 174.900 -0.032 0.000 1.158 207 G CA 1.130 46.086 45.100 -0.241 0.000 0.771 207 G HN 0.473 nan 8.290 nan 0.000 0.545 208 M N -0.164 119.438 119.600 0.003 0.000 2.229 208 M HA 0.006 4.486 4.480 0.000 0.000 0.264 208 M C 2.240 178.663 176.300 0.205 0.000 1.063 208 M CA 0.853 56.296 55.300 0.239 0.000 1.114 208 M CB -0.262 32.521 32.600 0.305 0.000 1.387 208 M HN 0.174 nan 8.290 nan 0.000 0.420 209 H N -0.087 119.090 119.070 0.178 0.000 2.462 209 H HA 0.077 4.633 4.556 0.000 0.000 0.292 209 H C 2.088 177.585 175.328 0.282 0.000 1.049 209 H CA 1.167 57.298 56.048 0.139 0.000 1.334 209 H CB -0.132 29.587 29.762 -0.072 0.000 1.404 209 H HN 0.411 nan 8.280 nan 0.000 0.544 210 I N 0.428 121.250 120.570 0.420 0.000 2.394 210 I HA -0.216 3.954 4.170 0.000 0.000 0.251 210 I C 2.060 178.420 176.117 0.404 0.000 1.136 210 I CA 0.764 62.368 61.300 0.507 0.000 1.425 210 I CB 0.009 38.248 38.000 0.398 0.000 1.079 210 I HN 0.132 nan 8.210 nan 0.000 0.425 211 L N -0.719 120.702 121.223 0.330 0.000 2.102 211 L HA -0.009 4.331 4.340 0.000 0.000 0.202 211 L C 1.538 178.518 176.870 0.184 0.000 1.076 211 L CA 0.232 55.266 54.840 0.324 0.000 0.761 211 L CB -0.337 41.949 42.059 0.378 0.000 0.921 211 L HN 0.058 nan 8.230 nan 0.000 0.444 212 S N 0.203 115.911 115.700 0.013 0.000 2.516 212 S HA 0.081 4.551 4.470 0.000 0.000 0.282 212 S C -1.529 172.948 174.600 -0.205 0.000 1.286 212 S CA -1.264 56.732 58.200 -0.339 0.000 1.066 212 S CB 0.973 63.471 63.200 -1.169 0.000 0.884 212 S HN -0.092 nan 8.310 nan 0.000 0.491 213 P HA -0.034 nan 4.420 nan 0.000 0.215 213 P C 1.460 178.681 177.300 -0.132 0.000 1.153 213 P CA 1.190 64.222 63.100 -0.114 0.000 0.853 213 P CB -0.141 31.500 31.700 -0.099 0.000 0.788 214 G N -1.453 107.222 108.800 -0.209 0.000 2.625 214 G HA2 -0.148 3.812 3.960 0.000 0.000 0.214 214 G HA3 -0.148 3.812 3.960 0.000 0.000 0.214 214 G C 1.346 176.179 174.900 -0.111 0.000 1.132 214 G CA 0.667 45.668 45.100 -0.164 0.000 0.782 214 G HN 0.236 nan 8.290 nan 0.000 0.538 215 S N -0.631 115.020 115.700 -0.081 0.000 2.514 215 S HA 0.121 4.591 4.470 0.000 0.000 0.223 215 S C 2.171 176.890 174.600 0.197 0.000 1.046 215 S CA -0.420 57.826 58.200 0.076 0.000 0.914 215 S CB 0.218 63.556 63.200 0.230 0.000 0.807 215 S HN 0.343 nan 8.310 nan 0.000 0.497 216 R N 2.019 122.576 120.500 0.096 0.000 2.119 216 R HA -0.114 4.226 4.340 0.000 0.000 0.246 216 R C 0.719 176.867 176.300 -0.253 0.000 1.146 216 R CA 1.647 57.710 56.100 -0.062 0.000 0.962 216 R CB -0.386 29.881 30.300 -0.054 0.000 0.863 216 R HN 0.341 nan 8.270 nan 0.000 0.442 217 D N 0.275 120.596 120.400 -0.131 0.000 2.349 217 D HA -0.002 4.639 4.640 0.000 0.000 0.224 217 D C 1.123 177.377 176.300 -0.075 0.000 1.029 217 D CA 0.601 54.523 54.000 -0.130 0.000 0.879 217 D CB 0.277 41.015 40.800 -0.104 0.000 0.906 217 D HN 0.273 nan 8.370 nan 0.000 0.528 218 L N 0.028 121.255 121.223 0.008 0.000 2.628 218 L HA 0.174 4.515 4.340 0.000 0.000 0.229 218 L C -0.149 176.901 176.870 0.301 0.000 1.137 218 L CA -0.116 54.800 54.840 0.128 0.000 0.909 218 L CB -0.151 41.963 42.059 0.091 0.000 1.137 218 L HN -0.085 nan 8.230 nan 0.000 0.470 219 F N -4.398 115.568 119.950 0.026 0.000 2.693 219 F HA 0.556 5.083 4.527 0.000 0.000 0.309 219 F C 0.276 176.099 175.800 0.039 0.000 1.129 219 F CA -1.365 56.656 58.000 0.035 0.000 0.948 219 F CB 1.127 40.146 39.000 0.030 0.000 1.315 219 F HN -0.387 nan 8.300 nan 0.000 0.447 220 R N 0.897 121.448 120.500 0.085 0.000 2.074 220 R HA 0.470 4.810 4.340 0.000 0.000 0.218 220 R C -0.043 176.281 176.300 0.040 0.000 1.137 220 R CA 1.150 57.237 56.100 -0.021 0.000 0.998 220 R CB 0.234 30.529 30.300 -0.008 0.000 0.895 220 R HN 0.811 nan 8.270 nan 0.000 0.442 221 R N -1.492 119.126 120.500 0.198 0.000 2.855 221 R HA 0.756 5.096 4.340 0.000 0.000 0.266 221 R C -1.471 175.080 176.300 0.419 0.000 1.034 221 R CA -0.697 55.547 56.100 0.240 0.000 0.944 221 R CB 2.185 32.471 30.300 -0.024 0.000 1.219 221 R HN 0.211 nan 8.270 nan 0.000 0.474 222 A N 1.193 124.259 122.820 0.410 0.000 2.498 222 A HA 0.740 5.061 4.320 0.000 0.000 0.298 222 A C -1.170 176.536 177.584 0.203 0.000 1.075 222 A CA -0.649 51.561 52.037 0.288 0.000 0.714 222 A CB 1.318 20.452 19.000 0.223 0.000 1.299 222 A HN 0.565 nan 8.150 nan 0.000 0.407 223 I N 1.558 122.205 120.570 0.129 0.000 2.466 223 I HA 0.351 4.521 4.170 0.000 0.000 0.289 223 I C -1.528 174.642 176.117 0.087 0.000 1.026 223 I CA -0.585 60.721 61.300 0.010 0.000 1.078 223 I CB 1.909 39.891 38.000 -0.030 0.000 1.249 223 I HN 0.410 nan 8.210 nan 0.000 0.429 224 L N 6.636 127.876 121.223 0.029 0.000 2.319 224 L HA 0.427 4.767 4.340 0.000 0.000 0.281 224 L C -0.408 176.536 176.870 0.124 0.000 1.005 224 L CA -0.227 54.630 54.840 0.030 0.000 0.828 224 L CB 1.484 43.488 42.059 -0.092 0.000 1.227 224 L HN 0.486 nan 8.230 nan 0.000 0.415 225 Q N 2.048 121.972 119.800 0.207 0.000 2.372 225 Q HA 0.454 4.794 4.340 0.000 0.000 0.259 225 Q C -0.015 176.101 176.000 0.194 0.000 0.993 225 Q CA -0.528 55.462 55.803 0.311 0.000 0.854 225 Q CB 1.365 30.386 28.738 0.473 0.000 1.231 225 Q HN 0.644 nan 8.270 nan 0.000 0.462 226 S N 1.151 116.951 115.700 0.166 0.000 3.631 226 S HA -0.155 4.315 4.470 0.000 0.000 0.366 226 S C 0.007 174.753 174.600 0.242 0.000 0.993 226 S CA 0.575 58.894 58.200 0.198 0.000 1.167 226 S CB -1.137 62.200 63.200 0.227 0.000 0.909 226 S HN 0.987 nan 8.310 nan 0.000 0.478 227 G N -0.264 108.618 108.800 0.137 0.000 2.633 227 G HA2 0.581 4.541 3.960 0.000 0.000 0.299 227 G HA3 0.581 4.541 3.960 0.000 0.000 0.299 227 G C -0.972 173.877 174.900 -0.084 0.000 1.501 227 G CA 0.119 45.306 45.100 0.144 0.000 0.887 227 G HN 1.099 nan 8.290 nan 0.000 0.561 228 S N 1.498 117.072 115.700 -0.210 0.000 2.579 228 S HA 0.798 5.268 4.470 0.000 0.000 0.272 228 S C -1.943 172.376 174.600 -0.469 0.000 1.141 228 S CA -1.128 56.800 58.200 -0.454 0.000 0.843 228 S CB 3.061 65.987 63.200 -0.457 0.000 1.122 228 S HN 0.438 nan 8.310 nan 0.000 0.468 229 P HA -0.171 nan 4.420 nan 0.000 0.217 229 P C 0.686 177.768 177.300 -0.365 0.000 1.148 229 P CA 1.476 64.355 63.100 -0.369 0.000 0.828 229 P CB -0.292 31.241 31.700 -0.278 0.000 0.783 230 N N -0.770 117.747 118.700 -0.304 0.000 2.398 230 N HA -0.028 4.712 4.740 0.000 0.000 0.188 230 N C 0.228 175.509 175.510 -0.381 0.000 1.122 230 N CA -0.086 52.810 53.050 -0.256 0.000 0.866 230 N CB -1.291 37.163 38.487 -0.054 0.000 0.970 230 N HN 0.061 nan 8.380 nan 0.000 0.462 231 C N 2.944 121.904 119.300 -0.566 0.000 2.641 231 C HA 0.051 4.512 4.460 0.000 0.000 0.412 231 C C -0.122 174.377 174.990 -0.818 0.000 1.312 231 C CA -0.871 57.664 59.018 -0.806 0.000 1.838 231 C CB 0.989 27.903 27.740 -1.376 0.000 2.682 231 C HN 0.367 nan 8.230 nan 0.000 0.627 232 P HA -0.102 nan 4.420 nan 0.000 0.222 232 P C 1.173 178.264 177.300 -0.348 0.000 1.147 232 P CA 1.789 64.608 63.100 -0.469 0.000 0.790 232 P CB -0.068 31.370 31.700 -0.437 0.000 0.780 233 W N -1.314 119.857 121.300 -0.216 0.000 3.114 233 W HA 0.546 5.206 4.660 0.000 0.000 0.279 233 W C 1.225 177.797 176.519 0.088 0.000 1.277 233 W CA 0.340 57.636 57.345 -0.082 0.000 1.630 233 W CB -1.091 28.348 29.460 -0.036 0.000 1.087 233 W HN -0.125 nan 8.180 nan 0.000 0.637 234 A N 1.462 123.931 122.820 -0.584 0.000 2.167 234 A HA 0.161 4.481 4.320 0.000 0.000 0.214 234 A C 1.011 178.437 177.584 -0.263 0.000 1.151 234 A CA 1.226 53.051 52.037 -0.354 0.000 0.735 234 A CB -0.567 17.973 19.000 -0.767 0.000 0.802 234 A HN 0.247 nan 8.150 nan 0.000 0.467 235 S N -1.999 113.535 115.700 -0.277 0.000 2.587 235 S HA 0.606 5.076 4.470 0.000 0.000 0.269 235 S C -0.869 173.601 174.600 -0.216 0.000 1.154 235 S CA -0.092 57.936 58.200 -0.286 0.000 0.824 235 S CB 1.189 64.163 63.200 -0.377 0.000 1.118 235 S HN 1.414 nan 8.310 nan 0.000 0.462 236 V N -0.923 118.880 119.914 -0.184 0.000 3.159 236 V HA 0.947 5.067 4.120 0.000 0.000 0.308 236 V C 0.119 176.137 176.094 -0.125 0.000 1.190 236 V CA -0.382 61.833 62.300 -0.142 0.000 1.037 236 V CB 1.189 32.944 31.823 -0.114 0.000 1.060 236 V HN 1.613 nan 8.190 nan 0.000 0.437 237 S N 0.917 116.552 115.700 -0.107 0.000 2.614 237 S HA 0.342 4.813 4.470 0.000 0.000 0.265 237 S C 1.335 175.885 174.600 -0.083 0.000 1.303 237 S CA 0.006 58.148 58.200 -0.096 0.000 1.000 237 S CB 1.234 64.386 63.200 -0.080 0.000 0.935 237 S HN 2.117 nan 8.310 nan 0.000 0.551 238 V N -0.723 119.132 119.914 -0.099 0.000 2.469 238 V HA -0.065 4.055 4.120 0.000 0.000 0.251 238 V C 2.627 178.702 176.094 -0.032 0.000 1.064 238 V CA 1.795 64.043 62.300 -0.086 0.000 1.066 238 V CB -2.146 29.567 31.823 -0.183 0.000 0.667 238 V HN 1.011 nan 8.190 nan 0.000 0.461 239 A N 0.674 123.472 122.820 -0.037 0.000 1.877 239 A HA -0.222 4.098 4.320 0.000 0.000 0.216 239 A C 2.230 179.794 177.584 -0.034 0.000 1.186 239 A CA 2.087 54.110 52.037 -0.024 0.000 0.620 239 A CB -0.649 18.336 19.000 -0.026 0.000 0.822 239 A HN 0.635 nan 8.150 nan 0.000 0.443 240 E N 0.017 120.187 120.200 -0.051 0.000 2.107 240 E HA -0.001 4.349 4.350 0.000 0.000 0.191 240 E C 1.945 178.509 176.600 -0.060 0.000 0.982 240 E CA 1.416 57.776 56.400 -0.068 0.000 0.809 240 E CB -0.761 28.889 29.700 -0.085 0.000 0.756 240 E HN 0.389 nan 8.360 nan 0.000 0.459 241 G N 0.681 109.458 108.800 -0.038 0.000 2.418 241 G HA2 -0.328 3.632 3.960 0.000 0.000 0.217 241 G HA3 -0.328 3.632 3.960 0.000 0.000 0.217 241 G C 1.754 176.666 174.900 0.020 0.000 1.158 241 G CA 0.808 45.908 45.100 0.001 0.000 0.771 241 G HN 0.311 nan 8.290 nan 0.000 0.545 242 R N 0.137 120.641 120.500 0.007 0.000 2.075 242 R HA 0.050 4.390 4.340 0.000 0.000 0.232 242 R C 2.567 178.863 176.300 -0.007 0.000 1.126 242 R CA 1.047 57.150 56.100 0.005 0.000 0.963 242 R CB -0.332 29.973 30.300 0.008 0.000 0.858 242 R HN 0.248 nan 8.270 nan 0.000 0.435 243 R N 0.480 120.967 120.500 -0.022 0.000 2.083 243 R HA -0.123 4.218 4.340 0.000 0.000 0.237 243 R C 2.281 178.560 176.300 -0.034 0.000 1.137 243 R CA 1.849 57.928 56.100 -0.035 0.000 0.951 243 R CB -0.091 30.175 30.300 -0.057 0.000 0.851 243 R HN 0.289 nan 8.270 nan 0.000 0.434 244 R N -0.344 120.130 120.500 -0.044 0.000 2.092 244 R HA -0.066 4.275 4.340 0.000 0.000 0.231 244 R C 2.326 178.682 176.300 0.092 0.000 1.119 244 R CA 1.227 57.298 56.100 -0.049 0.000 0.970 244 R CB -0.323 29.863 30.300 -0.190 0.000 0.864 244 R HN 0.220 nan 8.270 nan 0.000 0.440 245 A N 0.897 123.789 122.820 0.120 0.000 1.858 245 A HA -0.131 4.189 4.320 0.000 0.000 0.216 245 A C 2.380 179.968 177.584 0.007 0.000 1.190 245 A CA 1.548 53.634 52.037 0.082 0.000 0.617 245 A CB -0.657 18.335 19.000 -0.014 0.000 0.827 245 A HN 0.113 nan 8.150 nan 0.000 0.443 246 V N 0.105 120.015 119.914 -0.007 0.000 2.407 246 V HA -0.230 3.890 4.120 0.000 0.000 0.248 246 V C 2.567 178.659 176.094 -0.004 0.000 1.055 246 V CA 2.391 64.681 62.300 -0.017 0.000 1.049 246 V CB -0.739 31.072 31.823 -0.019 0.000 0.662 246 V HN 0.727 nan 8.190 nan 0.000 0.455 247 E N 0.188 120.391 120.200 0.004 0.000 2.204 247 E HA -0.192 4.158 4.350 0.000 0.000 0.194 247 E C 1.853 178.472 176.600 0.032 0.000 0.989 247 E CA 0.883 57.287 56.400 0.007 0.000 0.824 247 E CB -0.299 29.392 29.700 -0.014 0.000 0.756 247 E HN 0.461 nan 8.360 nan 0.000 0.477 248 L N -0.405 120.856 121.223 0.064 0.000 2.056 248 L HA 0.098 4.438 4.340 0.000 0.000 0.207 248 L C 2.123 179.011 176.870 0.031 0.000 1.078 248 L CA 2.217 57.108 54.840 0.085 0.000 0.749 248 L CB -0.979 41.158 42.059 0.129 0.000 0.901 248 L HN 0.225 nan 8.230 nan 0.000 0.433 249 G N -0.760 108.041 108.800 0.002 0.000 2.421 249 G HA2 -0.329 3.631 3.960 0.000 0.000 0.216 249 G HA3 -0.329 3.631 3.960 0.000 0.000 0.216 249 G C 1.761 176.668 174.900 0.011 0.000 1.171 249 G CA 0.811 45.908 45.100 -0.004 0.000 0.775 249 G HN 0.425 nan 8.290 nan 0.000 0.543 250 R N 0.485 120.992 120.500 0.011 0.000 2.094 250 R HA -0.139 4.201 4.340 0.000 0.000 0.239 250 R C 2.324 178.638 176.300 0.023 0.000 1.137 250 R CA 1.771 57.880 56.100 0.014 0.000 0.943 250 R CB -0.511 29.795 30.300 0.010 0.000 0.850 250 R HN 0.296 nan 8.270 nan 0.000 0.433 251 N N 0.386 119.104 118.700 0.030 0.000 2.258 251 N HA -0.170 4.570 4.740 0.000 0.000 0.187 251 N C 1.042 176.577 175.510 0.043 0.000 1.012 251 N CA 1.270 54.344 53.050 0.041 0.000 0.870 251 N CB 0.006 38.525 38.487 0.054 0.000 0.977 251 N HN 0.341 nan 8.380 nan 0.000 0.434 252 L N 0.716 121.963 121.223 0.039 0.000 2.872 252 L HA 0.207 4.547 4.340 0.000 0.000 0.245 252 L C -0.213 176.677 176.870 0.034 0.000 1.211 252 L CA -0.224 54.641 54.840 0.040 0.000 1.013 252 L CB -0.125 41.959 42.059 0.042 0.000 1.326 252 L HN -0.011 nan 8.230 nan 0.000 0.525 253 N N 0.071 118.789 118.700 0.029 0.000 2.688 253 N HA -0.181 4.559 4.740 0.000 0.000 0.258 253 N C -0.321 175.204 175.510 0.025 0.000 1.016 253 N CA 0.535 53.600 53.050 0.025 0.000 0.747 253 N CB -1.325 37.178 38.487 0.027 0.000 0.895 253 N HN 0.308 nan 8.380 nan 0.000 0.543 254 c N 0.686 119.299 118.600 0.021 0.000 2.351 254 c HA 0.302 4.872 4.570 0.000 0.000 0.359 254 c C 1.230 175.329 174.090 0.016 0.000 1.193 254 c CA -0.989 55.352 56.329 0.020 0.000 2.270 254 c CB 1.319 43.837 42.510 0.013 0.000 2.369 254 c HN 0.438 nan 8.230 nan 0.000 0.553 255 N N 1.752 120.464 118.700 0.020 0.000 2.452 255 N HA 0.125 4.865 4.740 0.000 0.000 0.266 255 N C 0.031 175.544 175.510 0.006 0.000 1.175 255 N CA 0.264 53.324 53.050 0.017 0.000 0.945 255 N CB 0.459 38.962 38.487 0.026 0.000 1.063 255 N HN 0.611 nan 8.380 nan 0.000 0.472 256 L N 2.923 124.148 121.223 0.002 0.000 2.700 256 L HA 0.174 4.515 4.340 0.000 0.000 0.234 256 L C 1.477 178.343 176.870 -0.007 0.000 1.156 256 L CA -0.301 54.535 54.840 -0.006 0.000 0.946 256 L CB -0.155 41.901 42.059 -0.006 0.000 1.216 256 L HN 0.445 nan 8.230 nan 0.000 0.493 257 N N 0.791 119.490 118.700 -0.001 0.000 2.149 257 N HA -0.096 4.644 4.740 0.000 0.000 0.188 257 N C 0.853 176.359 175.510 -0.006 0.000 1.019 257 N CA 1.269 54.319 53.050 -0.000 0.000 0.857 257 N CB 0.168 38.659 38.487 0.006 0.000 0.997 257 N HN 0.484 nan 8.380 nan 0.000 0.426 258 S N -1.576 114.117 115.700 -0.013 0.000 2.615 258 S HA 0.314 4.784 4.470 0.000 0.000 0.269 258 S C -0.024 174.549 174.600 -0.046 0.000 1.161 258 S CA -0.871 57.315 58.200 -0.023 0.000 0.817 258 S CB 1.590 64.781 63.200 -0.015 0.000 1.131 258 S HN -0.214 nan 8.310 nan 0.000 0.467 259 D N 1.055 121.419 120.400 -0.060 0.000 2.092 259 D HA -0.095 4.545 4.640 0.000 0.000 0.193 259 D C 1.691 177.906 176.300 -0.142 0.000 0.994 259 D CA 1.506 55.451 54.000 -0.092 0.000 0.828 259 D CB -0.182 40.567 40.800 -0.085 0.000 0.963 259 D HN 0.618 nan 8.370 nan 0.000 0.450 260 E N 0.861 120.970 120.200 -0.150 0.000 2.085 260 E HA -0.175 4.175 4.350 0.000 0.000 0.194 260 E C 2.058 178.472 176.600 -0.310 0.000 0.994 260 E CA 0.824 57.044 56.400 -0.300 0.000 0.801 260 E CB -0.166 29.449 29.700 -0.142 0.000 0.743 260 E HN 0.532 nan 8.360 nan 0.000 0.453 261 E N 0.387 120.545 120.200 -0.069 0.000 2.072 261 E HA -0.164 4.186 4.350 0.000 0.000 0.191 261 E C 2.176 178.774 176.600 -0.003 0.000 0.985 261 E CA 0.543 56.962 56.400 0.031 0.000 0.801 261 E CB -0.141 29.582 29.700 0.038 0.000 0.750 261 E HN 0.057 nan 8.360 nan 0.000 0.452 262 L N 1.333 122.525 121.223 -0.052 0.000 2.017 262 L HA -0.146 4.195 4.340 0.000 0.000 0.208 262 L C 2.057 178.885 176.870 -0.070 0.000 1.073 262 L CA 1.590 56.397 54.840 -0.056 0.000 0.745 262 L CB -0.337 41.675 42.059 -0.078 0.000 0.894 262 L HN 0.089 nan 8.230 nan 0.000 0.432 263 I N -0.933 119.555 120.570 -0.135 0.000 2.226 263 I HA -0.299 3.871 4.170 0.000 0.000 0.245 263 I C 2.487 178.615 176.117 0.019 0.000 1.100 263 I CA 1.030 62.263 61.300 -0.111 0.000 1.374 263 I CB -0.670 37.223 38.000 -0.178 0.000 1.057 263 I HN 0.382 nan 8.210 nan 0.000 0.413 264 H N -0.316 118.785 119.070 0.050 0.000 2.387 264 H HA -0.204 4.352 4.556 0.000 0.000 0.299 264 H C 2.463 177.824 175.328 0.055 0.000 1.099 264 H CA 1.633 57.713 56.048 0.054 0.000 1.315 264 H CB -0.762 29.021 29.762 0.034 0.000 1.380 264 H HN 0.466 nan 8.280 nan 0.000 0.513 265 c N 0.810 119.504 118.600 0.156 0.000 2.432 265 c HA -0.074 4.496 4.570 0.000 0.000 0.277 265 c C 2.878 177.028 174.090 0.101 0.000 1.249 265 c CA 0.457 56.848 56.329 0.102 0.000 1.725 265 c CB -1.351 41.197 42.510 0.064 0.000 2.028 265 c HN 0.436 nan 8.230 nan 0.000 0.477 266 L N 0.237 121.523 121.223 0.105 0.000 2.191 266 L HA -0.080 4.260 4.340 0.000 0.000 0.212 266 L C 2.866 179.865 176.870 0.215 0.000 1.103 266 L CA 1.364 56.292 54.840 0.148 0.000 0.769 266 L CB -0.622 41.511 42.059 0.123 0.000 0.908 266 L HN 0.362 nan 8.230 nan 0.000 0.438 267 R N -0.431 120.200 120.500 0.218 0.000 2.276 267 R HA -0.062 4.278 4.340 0.000 0.000 0.203 267 R C 1.646 177.998 176.300 0.086 0.000 1.017 267 R CA 0.427 56.608 56.100 0.135 0.000 1.010 267 R CB 0.103 30.495 30.300 0.153 0.000 0.900 267 R HN 0.322 nan 8.270 nan 0.000 0.469 268 E N 0.625 120.880 120.200 0.093 0.000 2.400 268 E HA 0.009 4.360 4.350 0.000 0.000 0.195 268 E C 0.043 176.680 176.600 0.063 0.000 1.012 268 E CA 0.517 56.957 56.400 0.067 0.000 0.875 268 E CB 0.283 30.020 29.700 0.062 0.000 0.859 268 E HN 0.089 nan 8.360 nan 0.000 0.498 269 K N 1.767 122.211 120.400 0.074 0.000 2.258 269 K HA 0.204 4.525 4.320 0.000 0.000 0.264 269 K C 0.450 177.102 176.600 0.086 0.000 1.007 269 K CA -0.118 56.214 56.287 0.075 0.000 0.941 269 K CB 0.943 33.490 32.500 0.078 0.000 0.966 269 K HN -0.109 nan 8.250 nan 0.000 0.480 270 K N 2.086 122.538 120.400 0.087 0.000 2.202 270 K HA 0.076 4.396 4.320 0.000 0.000 0.264 270 K C -1.630 175.063 176.600 0.155 0.000 1.010 270 K CA -1.643 54.701 56.287 0.096 0.000 0.940 270 K CB 0.201 32.744 32.500 0.073 0.000 0.983 270 K HN 0.163 nan 8.250 nan 0.000 0.475 271 P HA -0.262 nan 4.420 nan 0.000 0.217 271 P C 1.143 178.637 177.300 0.323 0.000 1.162 271 P CA 1.383 64.691 63.100 0.345 0.000 0.901 271 P CB 0.241 31.991 31.700 0.083 0.000 0.793 272 Q N -0.188 119.723 119.800 0.185 0.000 2.291 272 Q HA -0.176 4.165 4.340 0.000 0.000 0.206 272 Q C 1.856 177.956 176.000 0.166 0.000 0.976 272 Q CA 1.553 57.457 55.803 0.169 0.000 0.875 272 Q CB -0.740 28.065 28.738 0.111 0.000 0.927 272 Q HN 0.373 nan 8.270 nan 0.000 0.450 273 E N -0.973 119.314 120.200 0.146 0.000 2.107 273 E HA -0.151 4.199 4.350 0.000 0.000 0.191 273 E C 1.548 178.222 176.600 0.124 0.000 0.982 273 E CA 0.755 57.227 56.400 0.121 0.000 0.809 273 E CB 0.032 29.790 29.700 0.096 0.000 0.756 273 E HN 0.230 nan 8.360 nan 0.000 0.459 274 L N 0.702 122.003 121.223 0.130 0.000 2.005 274 L HA -0.145 4.195 4.340 0.000 0.000 0.207 274 L C 2.237 179.186 176.870 0.132 0.000 1.072 274 L CA 1.450 56.332 54.840 0.070 0.000 0.744 274 L CB -0.472 41.538 42.059 -0.082 0.000 0.895 274 L HN 0.133 nan 8.230 nan 0.000 0.433 275 I N -0.464 120.242 120.570 0.226 0.000 2.264 275 I HA -0.313 3.857 4.170 0.000 0.000 0.248 275 I C 1.933 178.225 176.117 0.292 0.000 1.111 275 I CA 1.164 62.637 61.300 0.289 0.000 1.382 275 I CB -0.481 37.731 38.000 0.354 0.000 1.060 275 I HN 0.291 nan 8.210 nan 0.000 0.418 276 D N 0.412 120.959 120.400 0.244 0.000 2.221 276 D HA -0.122 4.518 4.640 0.000 0.000 0.204 276 D C 1.912 178.350 176.300 0.231 0.000 0.982 276 D CA 1.607 55.750 54.000 0.239 0.000 0.857 276 D CB 0.054 40.958 40.800 0.172 0.000 0.934 276 D HN 0.414 nan 8.370 nan 0.000 0.475 277 V N -2.567 117.461 119.914 0.190 0.000 3.528 277 V HA 0.191 4.311 4.120 0.000 0.000 0.294 277 V C 1.798 177.984 176.094 0.153 0.000 1.404 277 V CA -0.067 62.332 62.300 0.165 0.000 1.065 277 V CB 0.380 32.275 31.823 0.120 0.000 0.904 277 V HN -0.086 nan 8.190 nan 0.000 0.435 278 E N 0.981 121.262 120.200 0.136 0.000 2.108 278 E HA -0.284 4.066 4.350 0.000 0.000 0.203 278 E C 1.600 178.104 176.600 -0.161 0.000 1.022 278 E CA 2.881 59.294 56.400 0.021 0.000 0.823 278 E CB -0.232 29.389 29.700 -0.133 0.000 0.744 278 E HN 0.820 nan 8.360 nan 0.000 0.456 279 W N 0.817 122.127 121.300 0.016 0.000 2.595 279 W HA -0.018 4.642 4.660 0.000 0.000 0.257 279 W C 1.803 178.291 176.519 -0.051 0.000 1.267 279 W CA 0.269 57.577 57.345 -0.063 0.000 1.300 279 W CB -0.201 29.195 29.460 -0.105 0.000 1.120 279 W HN 0.109 nan 8.180 nan 0.000 0.618 280 N N 0.406 119.199 118.700 0.156 0.000 2.520 280 N HA -0.119 4.621 4.740 0.000 0.000 0.185 280 N C 1.753 177.273 175.510 0.017 0.000 1.068 280 N CA 1.584 54.687 53.050 0.089 0.000 0.911 280 N CB -0.780 37.758 38.487 0.086 0.000 0.961 280 N HN 0.285 nan 8.380 nan 0.000 0.446 281 V N -2.113 117.779 119.914 -0.037 0.000 3.406 281 V HA 0.177 4.297 4.120 0.000 0.000 0.263 281 V C 0.906 176.904 176.094 -0.160 0.000 1.172 281 V CA 0.040 62.276 62.300 -0.107 0.000 1.140 281 V CB -0.686 31.040 31.823 -0.162 0.000 0.784 281 V HN 0.016 nan 8.190 nan 0.000 0.467 282 L N 2.307 123.454 121.223 -0.128 0.000 2.485 282 L HA 0.170 4.510 4.340 0.000 0.000 0.275 282 L C -0.279 176.482 176.870 -0.182 0.000 1.207 282 L CA -0.766 53.993 54.840 -0.136 0.000 0.855 282 L CB 0.544 42.585 42.059 -0.031 0.000 1.114 282 L HN 0.171 nan 8.230 nan 0.000 0.485 283 P HA -0.033 nan 4.420 nan 0.000 0.225 283 P C -0.257 176.603 177.300 -0.733 0.000 1.156 283 P CA 1.110 63.842 63.100 -0.614 0.000 0.787 283 P CB 0.311 31.471 31.700 -0.900 0.000 0.802 284 F N -0.696 119.255 119.950 0.003 0.000 2.650 284 F HA 0.371 4.898 4.527 0.000 0.000 0.320 284 F C 0.308 176.115 175.800 0.013 0.000 1.091 284 F CA -1.505 56.502 58.000 0.011 0.000 0.962 284 F CB 0.276 39.288 39.000 0.020 0.000 1.363 284 F HN -0.381 nan 8.300 nan 0.000 0.482 285 D N 1.228 121.770 120.400 0.237 0.000 2.351 285 D HA 0.475 5.115 4.640 0.000 0.000 0.251 285 D C -0.175 176.199 176.300 0.123 0.000 1.137 285 D CA 0.480 54.556 54.000 0.126 0.000 0.879 285 D CB 1.359 42.209 40.800 0.084 0.000 1.181 285 D HN 0.650 nan 8.370 nan 0.000 0.448 286 S N 0.815 116.567 115.700 0.087 0.000 2.683 286 S HA 0.665 5.135 4.470 0.000 0.000 0.269 286 S C -0.908 173.716 174.600 0.039 0.000 1.165 286 S CA -0.977 57.266 58.200 0.071 0.000 0.840 286 S CB 0.803 64.071 63.200 0.112 0.000 1.169 286 S HN 0.464 nan 8.310 nan 0.000 0.490 287 I N -3.295 117.297 120.570 0.038 0.000 2.828 287 I HA 0.838 5.009 4.170 0.000 0.000 0.302 287 I C -0.415 175.712 176.117 0.016 0.000 1.101 287 I CA -1.077 60.246 61.300 0.038 0.000 1.031 287 I CB 1.592 39.639 38.000 0.077 0.000 1.231 287 I HN 0.853 nan 8.210 nan 0.000 0.427 288 F N 2.149 121.932 119.950 -0.278 0.000 3.071 288 F HA -0.167 4.361 4.527 0.000 0.000 0.295 288 F C -0.464 174.803 175.800 -0.887 0.000 0.919 288 F CA 0.581 58.152 58.000 -0.716 0.000 1.050 288 F CB -0.589 37.952 39.000 -0.765 0.000 1.040 288 F HN 0.629 nan 8.300 nan 0.000 0.692 289 R N 0.708 120.741 120.500 -0.778 0.000 2.574 289 R HA 0.591 4.931 4.340 0.000 0.000 0.288 289 R C -1.070 174.789 176.300 -0.736 0.000 1.004 289 R CA -0.521 55.195 56.100 -0.640 0.000 0.895 289 R CB 1.271 31.474 30.300 -0.162 0.000 1.191 289 R HN -0.001 nan 8.270 nan 0.000 0.444 290 F N -0.461 119.582 119.950 0.156 0.000 2.551 290 F HA 0.383 4.910 4.527 0.000 0.000 0.316 290 F C 1.600 177.311 175.800 -0.148 0.000 1.089 290 F CA -0.850 57.158 58.000 0.013 0.000 0.915 290 F CB 1.685 40.790 39.000 0.175 0.000 1.186 290 F HN 0.344 nan 8.300 nan 0.000 0.456 291 S N 0.837 116.398 115.700 -0.231 0.000 2.363 291 S HA -0.117 4.354 4.470 0.000 0.000 0.218 291 S C 0.209 174.398 174.600 -0.684 0.000 1.035 291 S CA 1.338 59.193 58.200 -0.575 0.000 1.043 291 S CB -0.315 62.363 63.200 -0.870 0.000 0.986 291 S HN 0.361 nan 8.310 nan 0.000 0.423 292 F N 1.982 121.944 119.950 0.021 0.000 2.313 292 F HA 0.523 5.050 4.527 0.000 0.000 0.369 292 F C 0.153 175.976 175.800 0.039 0.000 1.109 292 F CA -0.950 57.096 58.000 0.077 0.000 1.132 292 F CB 0.667 39.750 39.000 0.138 0.000 1.291 292 F HN -0.037 nan 8.300 nan 0.000 0.496 293 V N 0.860 120.759 119.914 -0.026 0.000 3.155 293 V HA 0.758 4.878 4.120 0.000 0.000 0.313 293 V C -2.815 172.978 176.094 -0.502 0.000 1.162 293 V CA -3.396 58.597 62.300 -0.511 0.000 1.048 293 V CB 1.892 33.571 31.823 -0.241 0.000 1.092 293 V HN 0.238 nan 8.190 nan 0.000 0.447 294 P HA 0.211 nan 4.420 nan 0.000 0.266 294 P C -0.646 176.573 177.300 -0.135 0.000 1.186 294 P CA 0.334 63.236 63.100 -0.329 0.000 0.767 294 P CB 0.362 31.797 31.700 -0.443 0.000 0.820 295 V N 0.839 120.765 119.914 0.020 0.000 2.604 295 V HA 0.412 4.532 4.120 0.000 0.000 0.305 295 V C 0.003 176.140 176.094 0.071 0.000 1.043 295 V CA -0.852 61.449 62.300 0.001 0.000 0.888 295 V CB 1.774 33.610 31.823 0.020 0.000 0.995 295 V HN 0.225 nan 8.190 nan 0.000 0.429 296 I N 5.156 125.702 120.570 -0.040 0.000 2.349 296 I HA 0.168 4.338 4.170 0.000 0.000 0.302 296 I C 0.878 176.992 176.117 -0.006 0.000 1.180 296 I CA 0.262 61.559 61.300 -0.005 0.000 1.405 296 I CB -0.221 37.702 38.000 -0.127 0.000 1.474 296 I HN 0.957 nan 8.210 nan 0.000 0.632 297 D N 3.005 123.455 120.400 0.084 0.000 2.349 297 D HA 0.070 4.710 4.640 0.000 0.000 0.214 297 D C 1.405 177.712 176.300 0.012 0.000 1.063 297 D CA 0.489 54.444 54.000 -0.075 0.000 0.847 297 D CB 0.403 41.240 40.800 0.061 0.000 0.933 297 D HN 0.628 nan 8.370 nan 0.000 0.513 298 G N 0.625 109.483 108.800 0.097 0.000 2.189 298 G HA2 -0.404 3.556 3.960 0.000 0.000 0.267 298 G HA3 -0.404 3.556 3.960 0.000 0.000 0.267 298 G C 0.701 175.674 174.900 0.122 0.000 0.975 298 G CA 0.824 45.987 45.100 0.104 0.000 0.644 298 G HN 0.535 nan 8.290 nan 0.000 0.537 299 E N -1.507 118.782 120.200 0.148 0.000 2.538 299 E HA 0.337 4.687 4.350 0.000 0.000 0.188 299 E C 1.873 178.517 176.600 0.073 0.000 1.014 299 E CA -0.075 56.394 56.400 0.114 0.000 1.140 299 E CB -0.031 29.753 29.700 0.140 0.000 1.262 299 E HN 0.300 nan 8.360 nan 0.000 0.488 300 F N 0.522 120.422 119.950 -0.082 0.000 2.186 300 F HA 0.098 4.625 4.527 0.000 0.000 0.299 300 F C 0.035 175.576 175.800 -0.432 0.000 1.090 300 F CA 0.968 58.793 58.000 -0.292 0.000 1.307 300 F CB 0.322 39.061 39.000 -0.435 0.000 1.019 300 F HN -0.070 nan 8.300 nan 0.000 0.489 301 F N 1.053 121.147 119.950 0.240 0.000 2.366 301 F HA 0.368 4.895 4.527 0.000 0.000 0.366 301 F C -1.591 174.249 175.800 0.066 0.000 1.096 301 F CA -2.917 55.165 58.000 0.137 0.000 1.060 301 F CB 0.570 39.655 39.000 0.142 0.000 1.282 301 F HN -0.233 nan 8.300 nan 0.000 0.450 302 P HA -0.162 nan 4.420 nan 0.000 0.216 302 P C 0.458 177.821 177.300 0.105 0.000 1.167 302 P CA 2.120 65.282 63.100 0.103 0.000 0.914 302 P CB 0.131 31.870 31.700 0.065 0.000 0.793 303 T N -6.490 108.132 114.554 0.114 0.000 2.669 303 T HA 0.481 4.831 4.350 0.000 0.000 0.283 303 T C -0.250 174.490 174.700 0.067 0.000 1.019 303 T CA -0.688 61.456 62.100 0.074 0.000 1.039 303 T CB 0.778 69.676 68.868 0.051 0.000 1.374 303 T HN 0.026 nan 8.240 nan 0.000 0.523 304 S N 0.091 115.805 115.700 0.023 0.000 2.558 304 S HA 0.108 4.578 4.470 0.000 0.000 0.287 304 S C 1.511 176.108 174.600 -0.006 0.000 1.321 304 S CA -0.651 57.538 58.200 -0.018 0.000 1.048 304 S CB -0.431 62.756 63.200 -0.021 0.000 0.844 304 S HN 0.657 nan 8.310 nan 0.000 0.512 305 L N 0.688 121.868 121.223 -0.072 0.000 2.012 305 L HA -0.150 4.190 4.340 0.000 0.000 0.210 305 L C 2.946 179.844 176.870 0.045 0.000 1.073 305 L CA 2.102 56.917 54.840 -0.042 0.000 0.748 305 L CB -0.818 41.154 42.059 -0.144 0.000 0.891 305 L HN 0.827 nan 8.230 nan 0.000 0.431 306 E N 0.687 120.911 120.200 0.040 0.000 2.038 306 E HA -0.221 4.129 4.350 0.000 0.000 0.195 306 E C 2.274 178.933 176.600 0.098 0.000 1.000 306 E CA 1.887 58.345 56.400 0.096 0.000 0.803 306 E CB -0.164 29.583 29.700 0.079 0.000 0.750 306 E HN 0.468 nan 8.360 nan 0.000 0.448 307 S N -0.372 115.369 115.700 0.068 0.000 2.399 307 S HA -0.202 4.268 4.470 0.000 0.000 0.231 307 S C 2.130 176.775 174.600 0.075 0.000 1.022 307 S CA 1.493 59.731 58.200 0.063 0.000 0.983 307 S CB -0.408 62.816 63.200 0.041 0.000 0.803 307 S HN 0.294 nan 8.310 nan 0.000 0.480 308 M N 0.708 120.368 119.600 0.100 0.000 2.175 308 M HA 0.098 4.579 4.480 0.000 0.000 0.264 308 M C 2.156 178.590 176.300 0.224 0.000 1.063 308 M CA 1.234 56.617 55.300 0.139 0.000 1.119 308 M CB -0.516 32.196 32.600 0.187 0.000 1.377 308 M HN 0.313 nan 8.290 nan 0.000 0.415 309 L N -0.091 121.265 121.223 0.222 0.000 2.156 309 L HA -0.184 4.156 4.340 0.000 0.000 0.208 309 L C 2.041 179.070 176.870 0.266 0.000 1.095 309 L CA 0.709 55.714 54.840 0.275 0.000 0.770 309 L CB -0.611 41.521 42.059 0.123 0.000 0.914 309 L HN 0.354 nan 8.230 nan 0.000 0.439 310 N N -0.495 118.306 118.700 0.168 0.000 2.250 310 N HA -0.111 4.629 4.740 0.000 0.000 0.181 310 N C 2.028 177.613 175.510 0.124 0.000 1.017 310 N CA 1.554 54.706 53.050 0.170 0.000 0.866 310 N CB -0.112 38.448 38.487 0.122 0.000 0.985 310 N HN 0.290 nan 8.380 nan 0.000 0.429 311 S N -0.644 115.052 115.700 -0.006 0.000 2.522 311 S HA 0.149 4.619 4.470 0.000 0.000 0.227 311 S C 1.434 175.719 174.600 -0.526 0.000 0.986 311 S CA 0.692 58.813 58.200 -0.132 0.000 0.929 311 S CB -0.087 63.054 63.200 -0.098 0.000 0.769 311 S HN 0.406 nan 8.310 nan 0.000 0.529 312 G N 1.669 109.987 108.800 -0.803 0.000 2.143 312 G HA2 -0.286 3.674 3.960 0.000 0.000 0.248 312 G HA3 -0.286 3.674 3.960 0.000 0.000 0.248 312 G C -0.074 174.011 174.900 -1.359 0.000 0.991 312 G CA 0.059 44.039 45.100 -1.867 0.000 0.689 312 G HN 0.673 nan 8.290 nan 0.000 0.522 313 N N 0.700 119.039 118.700 -0.601 0.000 2.739 313 N HA 0.533 5.273 4.740 0.000 0.000 0.266 313 N C -0.110 175.361 175.510 -0.065 0.000 1.168 313 N CA -0.007 52.853 53.050 -0.317 0.000 1.055 313 N CB -0.755 37.666 38.487 -0.110 0.000 1.393 313 N HN 0.807 nan 8.380 nan 0.000 0.514 314 F N -0.860 119.039 119.950 -0.085 0.000 2.842 314 F HA 0.368 4.896 4.527 0.000 0.000 0.319 314 F C -0.524 175.297 175.800 0.035 0.000 1.159 314 F CA -1.450 56.566 58.000 0.028 0.000 0.902 314 F CB 0.554 39.631 39.000 0.127 0.000 1.311 314 F HN -0.073 nan 8.300 nan 0.000 0.453 315 K N 1.713 122.372 120.400 0.432 0.000 2.451 315 K HA 0.211 4.531 4.320 0.000 0.000 0.280 315 K C -1.032 175.824 176.600 0.426 0.000 1.020 315 K CA -0.126 56.327 56.287 0.276 0.000 1.008 315 K CB 0.484 33.096 32.500 0.188 0.000 0.917 315 K HN 0.719 nan 8.250 nan 0.000 0.478 316 K N 3.295 123.804 120.400 0.183 0.000 2.334 316 K HA 0.170 4.490 4.320 0.000 0.000 0.265 316 K C -0.282 176.427 176.600 0.182 0.000 1.039 316 K CA -0.443 55.944 56.287 0.168 0.000 0.920 316 K CB 1.821 34.315 32.500 -0.009 0.000 1.160 316 K HN 0.664 nan 8.250 nan 0.000 0.451 317 T N 1.322 116.074 114.554 0.330 0.000 2.626 317 T HA 0.204 4.554 4.350 0.000 0.000 0.285 317 T C -1.432 173.463 174.700 0.325 0.000 1.194 317 T CA -0.515 61.728 62.100 0.239 0.000 1.112 317 T CB 0.852 69.823 68.868 0.172 0.000 1.714 317 T HN 0.405 nan 8.240 nan 0.000 0.457 318 Q N 1.120 121.081 119.800 0.269 0.000 2.256 318 Q HA 0.740 5.080 4.340 0.000 0.000 0.257 318 Q C -0.471 175.825 176.000 0.493 0.000 0.936 318 Q CA -0.469 55.550 55.803 0.360 0.000 0.903 318 Q CB 1.530 30.439 28.738 0.285 0.000 1.263 318 Q HN 0.673 nan 8.270 nan 0.000 0.440 319 I N -1.078 119.725 120.570 0.389 0.000 2.828 319 I HA 0.733 4.903 4.170 0.000 0.000 0.302 319 I C -1.385 174.661 176.117 -0.119 0.000 1.101 319 I CA -1.438 59.957 61.300 0.158 0.000 1.031 319 I CB 1.948 39.877 38.000 -0.119 0.000 1.231 319 I HN 0.552 nan 8.210 nan 0.000 0.427 320 L N 6.698 127.641 121.223 -0.468 0.000 2.441 320 L HA 0.723 5.063 4.340 0.000 0.000 0.270 320 L C -1.447 175.236 176.870 -0.311 0.000 0.973 320 L CA -0.452 54.007 54.840 -0.636 0.000 0.842 320 L CB 1.550 42.696 42.059 -1.521 0.000 1.239 320 L HN 0.821 nan 8.230 nan 0.000 0.406 321 L N 2.292 123.447 121.223 -0.113 0.000 2.409 321 L HA 1.133 5.473 4.340 0.000 0.000 0.255 321 L C -0.632 176.009 176.870 -0.381 0.000 1.027 321 L CA -0.496 54.286 54.840 -0.098 0.000 0.834 321 L CB 2.034 44.035 42.059 -0.097 0.000 1.426 321 L HN 0.626 nan 8.230 nan 0.000 0.411 322 G N -0.023 108.300 108.800 -0.795 0.000 2.548 322 G HA2 0.644 4.604 3.960 0.000 0.000 0.301 322 G HA3 0.644 4.604 3.960 0.000 0.000 0.301 322 G C -1.423 173.110 174.900 -0.612 0.000 1.349 322 G CA -0.023 44.205 45.100 -1.453 0.000 0.792 322 G HN 1.312 nan 8.290 nan 0.000 0.481 323 V N -2.680 117.066 119.914 -0.278 0.000 3.167 323 V HA 0.853 4.974 4.120 0.000 0.000 0.310 323 V C -1.132 175.045 176.094 0.138 0.000 1.207 323 V CA -1.400 60.933 62.300 0.054 0.000 1.059 323 V CB 1.881 33.759 31.823 0.091 0.000 1.079 323 V HN 0.662 nan 8.190 nan 0.000 0.446 324 N N 0.560 119.341 118.700 0.136 0.000 2.443 324 N HA 0.449 5.189 4.740 0.000 0.000 0.293 324 N C 0.524 175.971 175.510 -0.104 0.000 1.159 324 N CA -0.529 52.571 53.050 0.083 0.000 0.904 324 N CB 1.843 40.476 38.487 0.243 0.000 1.214 324 N HN 0.927 nan 8.380 nan 0.000 0.513 325 K N 0.036 120.279 120.400 -0.261 0.000 2.063 325 K HA -0.085 4.235 4.320 0.000 0.000 0.208 325 K C -0.649 176.030 176.600 0.132 0.000 1.048 325 K CA 1.336 57.559 56.287 -0.107 0.000 0.928 325 K CB 0.171 32.640 32.500 -0.050 0.000 0.713 325 K HN 0.509 nan 8.250 nan 0.000 0.442 326 D N 1.268 121.741 120.400 0.122 0.000 2.634 326 D HA 0.040 4.680 4.640 0.000 0.000 0.318 326 D C 0.121 176.524 176.300 0.173 0.000 1.226 326 D CA -0.090 54.000 54.000 0.150 0.000 0.899 326 D CB 1.318 42.185 40.800 0.112 0.000 1.025 326 D HN 0.177 nan 8.370 nan 0.000 0.501 327 E N 0.449 120.772 120.200 0.205 0.000 2.204 327 E HA -0.102 4.248 4.350 0.000 0.000 0.195 327 E C 1.944 178.710 176.600 0.276 0.000 0.990 327 E CA 0.557 57.112 56.400 0.258 0.000 0.821 327 E CB 0.176 30.012 29.700 0.226 0.000 0.750 327 E HN 0.430 nan 8.360 nan 0.000 0.477 328 G N 1.304 110.242 108.800 0.230 0.000 2.551 328 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 328 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 328 G C 1.739 176.779 174.900 0.232 0.000 1.137 328 G CA 0.788 46.045 45.100 0.262 0.000 0.798 328 G HN 0.360 nan 8.290 nan 0.000 0.536 329 S N 0.776 116.569 115.700 0.154 0.000 2.374 329 S HA -0.228 4.243 4.470 0.000 0.000 0.227 329 S C 2.089 176.656 174.600 -0.055 0.000 1.037 329 S CA 1.372 59.605 58.200 0.056 0.000 1.024 329 S CB -0.679 62.431 63.200 -0.151 0.000 0.861 329 S HN 0.296 nan 8.310 nan 0.000 0.456 330 F N 2.017 121.814 119.950 -0.254 0.000 2.091 330 F HA -0.064 4.463 4.527 0.000 0.000 0.299 330 F C 1.790 177.371 175.800 -0.365 0.000 1.103 330 F CA 1.671 59.400 58.000 -0.451 0.000 1.228 330 F CB -0.418 38.173 39.000 -0.682 0.000 0.984 330 F HN 0.184 nan 8.300 nan 0.000 0.477 331 F N -0.219 119.730 119.950 -0.002 0.000 2.407 331 F HA -0.061 4.466 4.527 0.000 0.000 0.299 331 F C 2.059 177.801 175.800 -0.095 0.000 1.097 331 F CA 0.663 58.612 58.000 -0.085 0.000 1.422 331 F CB -0.818 38.083 39.000 -0.165 0.000 1.067 331 F HN -0.051 nan 8.300 nan 0.000 0.539 332 L N -0.677 120.527 121.223 -0.031 0.000 2.072 332 L HA -0.172 4.168 4.340 0.000 0.000 0.205 332 L C 2.458 179.148 176.870 -0.300 0.000 1.079 332 L CA 0.581 55.200 54.840 -0.368 0.000 0.752 332 L CB -0.606 40.892 42.059 -0.935 0.000 0.906 332 L HN 0.161 nan 8.230 nan 0.000 0.436 333 L N -1.015 120.153 121.223 -0.091 0.000 2.079 333 L HA -0.259 4.081 4.340 0.000 0.000 0.210 333 L C 2.206 179.065 176.870 -0.018 0.000 1.081 333 L CA 2.001 56.901 54.840 0.099 0.000 0.752 333 L CB -0.590 41.527 42.059 0.096 0.000 0.896 333 L HN 0.142 nan 8.230 nan 0.000 0.433 334 Y N -1.175 119.039 120.300 -0.142 0.000 2.397 334 Y HA 0.229 4.780 4.550 0.000 0.000 0.292 334 Y C 2.260 178.104 175.900 -0.093 0.000 1.115 334 Y CA 0.977 58.993 58.100 -0.139 0.000 1.208 334 Y CB -0.112 38.201 38.460 -0.245 0.000 1.046 334 Y HN 0.229 nan 8.280 nan 0.000 0.552 335 G N -1.471 107.375 108.800 0.077 0.000 3.342 335 G HA2 0.484 4.444 3.960 0.000 0.000 0.252 335 G HA3 0.484 4.444 3.960 0.000 0.000 0.252 335 G C -0.235 174.699 174.900 0.055 0.000 1.011 335 G CA 0.363 45.488 45.100 0.041 0.000 0.869 335 G HN 0.246 nan 8.290 nan 0.000 0.514 336 A N 1.504 124.379 122.820 0.092 0.000 2.330 336 A HA 0.835 5.155 4.320 0.000 0.000 0.327 336 A C -2.592 175.164 177.584 0.286 0.000 1.155 336 A CA -1.586 50.559 52.037 0.180 0.000 0.803 336 A CB 1.638 20.757 19.000 0.197 0.000 1.208 336 A HN 0.054 nan 8.150 nan 0.000 0.477 337 P HA 0.300 nan 4.420 nan 0.000 0.271 337 P C 0.866 178.167 177.300 0.002 0.000 1.216 337 P CA 1.397 64.547 63.100 0.084 0.000 0.776 337 P CB 1.178 32.898 31.700 0.033 0.000 0.881 338 G N 1.400 110.145 108.800 -0.092 0.000 2.234 338 G HA2 -0.224 3.736 3.960 0.000 0.000 0.235 338 G HA3 -0.224 3.736 3.960 0.000 0.000 0.235 338 G C -0.182 174.449 174.900 -0.448 0.000 0.997 338 G CA -0.440 44.482 45.100 -0.297 0.000 0.623 338 G HN 0.431 nan 8.290 nan 0.000 0.514 339 F N 1.683 121.555 119.950 -0.130 0.000 2.385 339 F HA 0.739 5.267 4.527 0.000 0.000 0.336 339 F C 0.745 176.518 175.800 -0.045 0.000 1.100 339 F CA 0.134 58.029 58.000 -0.175 0.000 1.116 339 F CB 2.059 41.004 39.000 -0.093 0.000 1.166 339 F HN 0.184 nan 8.300 nan 0.000 0.511 340 S N 1.821 117.624 115.700 0.173 0.000 2.556 340 S HA 0.273 4.743 4.470 0.000 0.000 0.271 340 S C 0.257 175.059 174.600 0.337 0.000 1.135 340 S CA -0.865 57.452 58.200 0.194 0.000 0.858 340 S CB 1.760 65.000 63.200 0.067 0.000 1.114 340 S HN 0.767 nan 8.310 nan 0.000 0.468 341 K N 0.928 121.454 120.400 0.210 0.000 2.296 341 K HA 0.076 4.397 4.320 0.000 0.000 0.200 341 K C -0.178 176.445 176.600 0.038 0.000 1.048 341 K CA 1.135 57.471 56.287 0.083 0.000 0.966 341 K CB 0.009 32.247 32.500 -0.437 0.000 0.754 341 K HN 0.620 nan 8.250 nan 0.000 0.466 342 D N 0.905 121.323 120.400 0.030 0.000 2.525 342 D HA 0.036 4.676 4.640 0.000 0.000 0.229 342 D C -0.349 175.980 176.300 0.049 0.000 1.202 342 D CA 0.105 54.108 54.000 0.005 0.000 0.828 342 D CB 0.827 41.602 40.800 -0.043 0.000 1.008 342 D HN 0.160 nan 8.370 nan 0.000 0.493 343 S N -1.356 114.410 115.700 0.110 0.000 2.596 343 S HA 0.257 4.727 4.470 0.000 0.000 0.270 343 S C 0.634 175.278 174.600 0.073 0.000 1.155 343 S CA -0.785 57.448 58.200 0.056 0.000 0.827 343 S CB 2.116 65.303 63.200 -0.022 0.000 1.130 343 S HN -0.131 nan 8.310 nan 0.000 0.467 344 E N 1.073 121.278 120.200 0.009 0.000 2.265 344 E HA 0.017 4.367 4.350 0.000 0.000 0.196 344 E C -0.324 176.070 176.600 -0.344 0.000 0.996 344 E CA 0.808 57.198 56.400 -0.017 0.000 0.832 344 E CB -0.338 29.356 29.700 -0.011 0.000 0.756 344 E HN 0.726 nan 8.360 nan 0.000 0.491 345 S N 0.939 116.396 115.700 -0.405 0.000 3.791 345 S HA -0.157 4.313 4.470 0.000 0.000 0.393 345 S C -0.403 173.865 174.600 -0.552 0.000 0.936 345 S CA 0.488 58.313 58.200 -0.624 0.000 1.234 345 S CB -1.146 61.352 63.200 -1.171 0.000 0.891 345 S HN 0.272 nan 8.310 nan 0.000 0.519 346 K N 1.210 121.406 120.400 -0.340 0.000 2.379 346 K HA 0.297 4.618 4.320 0.000 0.000 0.284 346 K C 0.345 176.759 176.600 -0.311 0.000 1.044 346 K CA -0.221 55.911 56.287 -0.258 0.000 0.974 346 K CB 0.414 32.817 32.500 -0.161 0.000 0.962 346 K HN 0.244 nan 8.250 nan 0.000 0.474 347 I N 3.182 123.574 120.570 -0.297 0.000 2.315 347 I HA 0.028 4.198 4.170 0.000 0.000 0.291 347 I C 1.111 177.146 176.117 -0.137 0.000 1.006 347 I CA -0.219 60.913 61.300 -0.279 0.000 1.265 347 I CB 0.688 38.527 38.000 -0.268 0.000 1.387 347 I HN 0.705 nan 8.210 nan 0.000 0.475 348 S N 6.525 122.155 115.700 -0.116 0.000 2.598 348 S HA 0.116 4.586 4.470 0.000 0.000 0.256 348 S C 1.255 175.846 174.600 -0.015 0.000 1.350 348 S CA -0.147 58.013 58.200 -0.066 0.000 0.984 348 S CB 1.202 64.370 63.200 -0.054 0.000 0.930 348 S HN 0.629 nan 8.310 nan 0.000 0.577 349 R N 0.659 121.153 120.500 -0.010 0.000 2.073 349 R HA -0.004 4.336 4.340 0.000 0.000 0.229 349 R C 2.376 178.737 176.300 0.102 0.000 1.120 349 R CA 2.056 58.171 56.100 0.025 0.000 0.967 349 R CB -0.975 29.326 30.300 0.003 0.000 0.862 349 R HN 0.932 nan 8.270 nan 0.000 0.436 350 E N -0.091 120.145 120.200 0.060 0.000 2.051 350 E HA -0.203 4.147 4.350 0.000 0.000 0.192 350 E C 0.922 177.561 176.600 0.065 0.000 0.991 350 E CA 1.707 58.144 56.400 0.061 0.000 0.799 350 E CB -0.098 29.620 29.700 0.030 0.000 0.748 350 E HN 0.308 nan 8.360 nan 0.000 0.449 351 D N -0.217 120.208 120.400 0.043 0.000 2.219 351 D HA -0.140 4.500 4.640 0.000 0.000 0.205 351 D C 1.554 177.896 176.300 0.069 0.000 0.970 351 D CA 0.576 54.591 54.000 0.026 0.000 0.851 351 D CB -0.300 40.473 40.800 -0.045 0.000 0.943 351 D HN 0.232 nan 8.370 nan 0.000 0.488 352 F N 0.796 120.730 119.950 -0.027 0.000 2.102 352 F HA -0.197 4.330 4.527 0.000 0.000 0.298 352 F C 2.226 178.039 175.800 0.022 0.000 1.105 352 F CA 1.084 59.083 58.000 -0.002 0.000 1.239 352 F CB -0.176 38.806 39.000 -0.029 0.000 0.991 352 F HN -0.198 nan 8.300 nan 0.000 0.474 353 M N 0.382 120.080 119.600 0.164 0.000 2.073 353 M HA -0.238 4.242 4.480 0.000 0.000 0.258 353 M C 2.443 178.721 176.300 -0.036 0.000 1.070 353 M CA 2.002 57.345 55.300 0.071 0.000 1.103 353 M CB -1.032 31.640 32.600 0.120 0.000 1.321 353 M HN 0.110 nan 8.290 nan 0.000 0.405 354 S N -0.170 115.525 115.700 -0.009 0.000 2.370 354 S HA -0.104 4.366 4.470 0.000 0.000 0.226 354 S C 1.985 176.558 174.600 -0.045 0.000 1.033 354 S CA 1.281 59.471 58.200 -0.016 0.000 1.011 354 S CB -1.095 62.110 63.200 0.009 0.000 0.852 354 S HN 0.715 nan 8.310 nan 0.000 0.457 355 G N 1.911 110.667 108.800 -0.073 0.000 2.459 355 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 355 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 355 G C 1.691 176.496 174.900 -0.159 0.000 1.183 355 G CA 1.443 46.491 45.100 -0.086 0.000 0.776 355 G HN 0.566 nan 8.290 nan 0.000 0.552 356 V N 0.037 119.775 119.914 -0.292 0.000 2.392 356 V HA -0.127 3.993 4.120 0.000 0.000 0.249 356 V C 2.528 178.545 176.094 -0.128 0.000 1.059 356 V CA 2.750 64.910 62.300 -0.233 0.000 1.051 356 V CB -0.684 30.981 31.823 -0.263 0.000 0.658 356 V HN 0.319 nan 8.190 nan 0.000 0.455 357 K N 0.353 120.688 120.400 -0.109 0.000 2.063 357 K HA -0.097 4.224 4.320 0.000 0.000 0.208 357 K C 1.830 178.383 176.600 -0.079 0.000 1.048 357 K CA 1.946 58.177 56.287 -0.092 0.000 0.928 357 K CB -0.719 31.741 32.500 -0.066 0.000 0.713 357 K HN 0.462 nan 8.250 nan 0.000 0.442 358 L N 0.589 121.783 121.223 -0.049 0.000 2.201 358 L HA 0.004 4.344 4.340 0.000 0.000 0.212 358 L C 1.990 178.859 176.870 -0.003 0.000 1.105 358 L CA 1.491 56.324 54.840 -0.013 0.000 0.775 358 L CB -0.668 41.394 42.059 0.005 0.000 0.913 358 L HN 0.138 nan 8.230 nan 0.000 0.440 359 S N -1.703 113.980 115.700 -0.028 0.000 2.446 359 S HA 0.084 4.554 4.470 0.000 0.000 0.225 359 S C 0.944 175.545 174.600 0.002 0.000 1.016 359 S CA 0.302 58.498 58.200 -0.006 0.000 0.943 359 S CB 0.370 63.545 63.200 -0.042 0.000 0.786 359 S HN 0.145 nan 8.310 nan 0.000 0.508 360 V N 3.185 123.048 119.914 -0.085 0.000 2.468 360 V HA 0.213 4.333 4.120 0.000 0.000 0.256 360 V C -1.818 174.084 176.094 -0.320 0.000 0.998 360 V CA -1.337 60.817 62.300 -0.244 0.000 1.114 360 V CB 0.831 32.477 31.823 -0.296 0.000 1.378 360 V HN 0.177 nan 8.190 nan 0.000 0.573 361 P HA -0.209 nan 4.420 nan 0.000 0.218 361 P C 1.192 178.184 177.300 -0.513 0.000 1.146 361 P CA 1.685 64.641 63.100 -0.240 0.000 0.813 361 P CB 0.065 31.774 31.700 0.015 0.000 0.778 362 H N -0.649 118.251 119.070 -0.283 0.000 2.535 362 H HA 0.379 4.935 4.556 0.000 0.000 0.273 362 H C 0.794 176.007 175.328 -0.191 0.000 0.983 362 H CA 0.060 55.965 56.048 -0.237 0.000 1.238 362 H CB -0.898 28.854 29.762 -0.016 0.000 1.412 362 H HN 0.003 nan 8.280 nan 0.000 0.562 363 A N 2.503 125.013 122.820 -0.516 0.000 2.371 363 A HA 0.211 4.532 4.320 0.000 0.000 0.257 363 A C 0.431 177.884 177.584 -0.218 0.000 1.089 363 A CA -0.269 51.569 52.037 -0.332 0.000 0.794 363 A CB 0.258 19.051 19.000 -0.344 0.000 1.029 363 A HN 0.672 nan 8.150 nan 0.000 0.488 364 N N 0.975 119.588 118.700 -0.145 0.000 2.374 364 N HA 0.111 4.851 4.740 0.000 0.000 0.284 364 N C 0.085 175.544 175.510 -0.086 0.000 1.280 364 N CA -0.169 52.818 53.050 -0.105 0.000 0.963 364 N CB 0.173 38.617 38.487 -0.073 0.000 1.141 364 N HN 0.512 nan 8.380 nan 0.000 0.565 365 D N -1.069 119.297 120.400 -0.056 0.000 2.178 365 D HA -0.093 4.547 4.640 0.000 0.000 0.202 365 D C 1.712 178.003 176.300 -0.014 0.000 0.974 365 D CA 0.695 54.676 54.000 -0.032 0.000 0.841 365 D CB -0.110 40.678 40.800 -0.019 0.000 0.953 365 D HN 0.355 nan 8.370 nan 0.000 0.478 366 L N 1.141 122.353 121.223 -0.019 0.000 2.056 366 L HA 0.016 4.356 4.340 0.000 0.000 0.207 366 L C 2.271 179.144 176.870 0.005 0.000 1.078 366 L CA 1.846 56.686 54.840 -0.001 0.000 0.749 366 L CB -0.812 41.238 42.059 -0.015 0.000 0.901 366 L HN 0.001 nan 8.230 nan 0.000 0.433 367 G N -0.462 108.314 108.800 -0.040 0.000 2.418 367 G HA2 -0.230 3.731 3.960 0.000 0.000 0.217 367 G HA3 -0.230 3.731 3.960 0.000 0.000 0.217 367 G C 1.589 176.487 174.900 -0.004 0.000 1.158 367 G CA 1.086 46.154 45.100 -0.054 0.000 0.771 367 G HN 0.421 nan 8.290 nan 0.000 0.545 368 L N 0.471 121.682 121.223 -0.020 0.000 2.046 368 L HA -0.067 4.273 4.340 0.000 0.000 0.208 368 L C 2.538 179.451 176.870 0.071 0.000 1.077 368 L CA 1.219 56.061 54.840 0.004 0.000 0.747 368 L CB -0.406 41.640 42.059 -0.022 0.000 0.896 368 L HN 0.109 nan 8.230 nan 0.000 0.432 369 D N 0.272 120.720 120.400 0.079 0.000 2.144 369 D HA -0.169 4.471 4.640 0.000 0.000 0.199 369 D C 2.214 178.606 176.300 0.153 0.000 0.984 369 D CA 1.522 55.593 54.000 0.119 0.000 0.834 369 D CB -0.003 40.854 40.800 0.094 0.000 0.955 369 D HN 0.337 nan 8.370 nan 0.000 0.465 370 A N 0.738 123.660 122.820 0.171 0.000 1.877 370 A HA -0.139 4.181 4.320 0.000 0.000 0.216 370 A C 2.572 180.294 177.584 0.230 0.000 1.186 370 A CA 1.283 53.484 52.037 0.273 0.000 0.620 370 A CB -0.771 18.468 19.000 0.399 0.000 0.822 370 A HN 0.147 nan 8.150 nan 0.000 0.443 371 V N -0.210 119.840 119.914 0.227 0.000 2.343 371 V HA -0.215 3.905 4.120 0.000 0.000 0.247 371 V C 2.734 178.934 176.094 0.177 0.000 1.051 371 V CA 2.418 64.796 62.300 0.131 0.000 1.036 371 V CB -1.266 30.635 31.823 0.129 0.000 0.654 371 V HN 0.616 nan 8.190 nan 0.000 0.451 372 T N 0.615 115.290 114.554 0.203 0.000 2.674 372 T HA -0.195 4.155 4.350 0.000 0.000 0.265 372 T C 1.914 176.766 174.700 0.254 0.000 1.039 372 T CA 1.896 64.187 62.100 0.318 0.000 1.150 372 T CB -0.383 68.679 68.868 0.323 0.000 0.864 372 T HN 0.309 nan 8.240 nan 0.000 0.427 373 L N 1.298 122.644 121.223 0.204 0.000 2.083 373 L HA -0.051 4.289 4.340 0.000 0.000 0.209 373 L C 2.447 179.322 176.870 0.008 0.000 1.083 373 L CA 1.803 56.756 54.840 0.188 0.000 0.752 373 L CB -0.853 41.305 42.059 0.164 0.000 0.899 373 L HN 0.132 nan 8.230 nan 0.000 0.433 374 Q N -1.320 118.394 119.800 -0.144 0.000 2.226 374 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 374 Q C 0.912 176.634 176.000 -0.463 0.000 0.975 374 Q CA 1.789 57.322 55.803 -0.449 0.000 0.866 374 Q CB -0.179 27.935 28.738 -1.039 0.000 0.915 374 Q HN 0.701 nan 8.270 nan 0.000 0.440 375 Y N -1.309 118.928 120.300 -0.106 0.000 2.612 375 Y HA 0.354 4.904 4.550 0.000 0.000 0.250 375 Y C -0.353 175.490 175.900 -0.095 0.000 1.175 375 Y CA -0.315 57.778 58.100 -0.011 0.000 1.205 375 Y CB 1.129 39.686 38.460 0.161 0.000 1.201 375 Y HN -0.196 nan 8.280 nan 0.000 0.532 376 T N 0.650 115.119 114.554 -0.142 0.000 2.786 376 T HA 0.115 4.465 4.350 0.000 0.000 0.283 376 T C -1.059 173.315 174.700 -0.543 0.000 0.992 376 T CA -0.704 61.097 62.100 -0.498 0.000 0.954 376 T CB 1.019 69.392 68.868 -0.825 0.000 0.934 376 T HN 0.029 nan 8.240 nan 0.000 0.440 377 D N 2.018 122.138 120.400 -0.467 0.000 2.365 377 D HA 0.102 4.742 4.640 0.000 0.000 0.237 377 D C 0.073 176.156 176.300 -0.362 0.000 1.190 377 D CA -0.699 53.123 54.000 -0.297 0.000 0.867 377 D CB 0.387 41.078 40.800 -0.182 0.000 1.050 377 D HN 0.604 nan 8.370 nan 0.000 0.491 378 W N 3.084 124.343 121.300 -0.068 0.000 2.961 378 W HA 0.079 4.739 4.660 0.000 0.000 0.240 378 W C 1.668 178.156 176.519 -0.050 0.000 1.305 378 W CA -0.175 57.133 57.345 -0.061 0.000 1.465 378 W CB -0.008 29.421 29.460 -0.051 0.000 1.135 378 W HN 0.413 nan 8.180 nan 0.000 0.688 379 M N -0.574 119.085 119.600 0.099 0.000 2.495 379 M HA 0.057 4.537 4.480 0.000 0.000 0.237 379 M C 0.132 176.444 176.300 0.019 0.000 1.131 379 M CA 0.985 56.323 55.300 0.063 0.000 1.032 379 M CB 0.332 32.950 32.600 0.031 0.000 1.513 379 M HN -0.196 nan 8.290 nan 0.000 0.488 380 D N -0.071 120.312 120.400 -0.029 0.000 3.868 380 D HA -0.045 4.596 4.640 0.000 0.000 0.283 380 D C 0.474 176.684 176.300 -0.151 0.000 1.439 380 D CA 0.092 54.052 54.000 -0.065 0.000 0.760 380 D CB 0.170 40.932 40.800 -0.063 0.000 1.335 380 D HN 0.209 nan 8.370 nan 0.000 0.737 381 D N -0.563 119.722 120.400 -0.192 0.000 2.265 381 D HA -0.179 4.462 4.640 0.000 0.000 0.208 381 D C 0.617 176.757 176.300 -0.266 0.000 0.977 381 D CA 0.472 54.246 54.000 -0.377 0.000 0.871 381 D CB 0.018 40.520 40.800 -0.498 0.000 0.925 381 D HN 0.211 nan 8.370 nan 0.000 0.485 382 N N 0.592 119.209 118.700 -0.139 0.000 2.313 382 N HA -0.016 4.724 4.740 0.000 0.000 0.207 382 N C -0.328 175.118 175.510 -0.106 0.000 1.141 382 N CA -0.096 52.890 53.050 -0.106 0.000 0.830 382 N CB -0.156 38.300 38.487 -0.051 0.000 1.008 382 N HN 0.421 nan 8.380 nan 0.000 0.481 383 N N -0.181 118.441 118.700 -0.130 0.000 2.401 383 N HA 0.113 4.853 4.740 0.000 0.000 0.255 383 N C 1.415 176.856 175.510 -0.114 0.000 1.110 383 N CA -0.346 52.642 53.050 -0.104 0.000 0.949 383 N CB 0.844 39.273 38.487 -0.097 0.000 1.110 383 N HN 0.015 nan 8.380 nan 0.000 0.490 384 G N 3.689 112.431 108.800 -0.096 0.000 2.422 384 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 384 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 384 G C 1.303 176.147 174.900 -0.093 0.000 1.146 384 G CA 0.523 45.560 45.100 -0.106 0.000 0.769 384 G HN 0.663 nan 8.290 nan 0.000 0.547 385 I N 0.015 120.548 120.570 -0.062 0.000 2.315 385 I HA -0.096 4.074 4.170 0.000 0.000 0.248 385 I C 2.744 178.862 176.117 0.002 0.000 1.117 385 I CA 1.011 62.297 61.300 -0.023 0.000 1.404 385 I CB -0.102 37.898 38.000 0.001 0.000 1.071 385 I HN 0.118 nan 8.210 nan 0.000 0.419 386 K N 0.489 120.871 120.400 -0.030 0.000 2.211 386 K HA -0.105 4.215 4.320 0.000 0.000 0.203 386 K C 1.746 178.327 176.600 -0.031 0.000 1.050 386 K CA 0.972 57.240 56.287 -0.031 0.000 0.945 386 K CB -0.070 32.377 32.500 -0.088 0.000 0.732 386 K HN 0.281 nan 8.250 nan 0.000 0.451 387 N N 0.702 119.359 118.700 -0.072 0.000 2.300 387 N HA -0.111 4.629 4.740 0.000 0.000 0.179 387 N C 1.640 177.279 175.510 0.216 0.000 1.016 387 N CA 0.755 53.792 53.050 -0.023 0.000 0.876 387 N CB -0.035 38.394 38.487 -0.096 0.000 0.979 387 N HN 0.194 nan 8.380 nan 0.000 0.432 388 R N 1.132 121.693 120.500 0.103 0.000 2.062 388 R HA -0.087 4.254 4.340 0.000 0.000 0.231 388 R C 0.761 177.235 176.300 0.289 0.000 1.136 388 R CA 1.531 57.725 56.100 0.156 0.000 0.948 388 R CB -0.043 30.256 30.300 -0.001 0.000 0.845 388 R HN 0.008 nan 8.270 nan 0.000 0.430 389 D N -0.427 120.109 120.400 0.226 0.000 2.178 389 D HA -0.085 4.555 4.640 0.000 0.000 0.201 389 D C 1.690 178.148 176.300 0.263 0.000 0.980 389 D CA 1.418 55.565 54.000 0.245 0.000 0.842 389 D CB -0.482 40.431 40.800 0.189 0.000 0.948 389 D HN 0.524 nan 8.370 nan 0.000 0.472 390 G N 0.581 109.550 108.800 0.281 0.000 2.404 390 G HA2 -0.208 3.752 3.960 0.000 0.000 0.215 390 G HA3 -0.208 3.752 3.960 0.000 0.000 0.215 390 G C 1.530 176.605 174.900 0.292 0.000 1.174 390 G CA 0.216 45.536 45.100 0.367 0.000 0.780 390 G HN 0.189 nan 8.290 nan 0.000 0.537 391 L N 1.044 122.463 121.223 0.327 0.000 2.083 391 L HA -0.015 4.325 4.340 0.000 0.000 0.209 391 L C 2.249 179.186 176.870 0.111 0.000 1.083 391 L CA 2.050 56.974 54.840 0.139 0.000 0.752 391 L CB -0.592 41.618 42.059 0.251 0.000 0.899 391 L HN 0.264 nan 8.230 nan 0.000 0.433 392 D N -1.092 119.432 120.400 0.208 0.000 2.117 392 D HA -0.190 4.450 4.640 0.000 0.000 0.197 392 D C 1.684 178.075 176.300 0.152 0.000 0.987 392 D CA 1.243 55.362 54.000 0.200 0.000 0.829 392 D CB 0.103 41.075 40.800 0.287 0.000 0.961 392 D HN 0.325 nan 8.370 nan 0.000 0.460 393 D N -0.374 120.125 120.400 0.166 0.000 2.149 393 D HA -0.058 4.582 4.640 0.000 0.000 0.201 393 D C 2.317 178.631 176.300 0.022 0.000 0.972 393 D CA 0.350 54.463 54.000 0.188 0.000 0.835 393 D CB -0.074 40.955 40.800 0.381 0.000 0.966 393 D HN 0.350 nan 8.370 nan 0.000 0.476 394 I N 0.827 121.258 120.570 -0.232 0.000 2.099 394 I HA -0.272 3.898 4.170 0.000 0.000 0.239 394 I C 2.494 178.486 176.117 -0.208 0.000 1.066 394 I CA 0.875 61.965 61.300 -0.350 0.000 1.324 394 I CB -0.314 37.469 38.000 -0.361 0.000 1.037 394 I HN -0.118 nan 8.210 nan 0.000 0.401 395 V N 0.989 120.834 119.914 -0.116 0.000 2.332 395 V HA -0.249 3.871 4.120 0.000 0.000 0.248 395 V C 2.499 178.503 176.094 -0.150 0.000 1.055 395 V CA 2.263 64.508 62.300 -0.092 0.000 1.038 395 V CB -1.507 30.336 31.823 0.033 0.000 0.651 395 V HN 0.620 nan 8.190 nan 0.000 0.450 396 G N -0.680 108.088 108.800 -0.054 0.000 2.394 396 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 396 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 396 G C 1.239 176.073 174.900 -0.110 0.000 1.165 396 G CA 0.779 45.858 45.100 -0.035 0.000 0.784 396 G HN 0.489 nan 8.290 nan 0.000 0.535 397 D N -0.123 120.212 120.400 -0.109 0.000 2.117 397 D HA -0.083 4.557 4.640 0.000 0.000 0.198 397 D C 2.072 178.067 176.300 -0.510 0.000 0.982 397 D CA 1.193 55.105 54.000 -0.146 0.000 0.828 397 D CB -0.324 40.542 40.800 0.111 0.000 0.967 397 D HN 0.414 nan 8.370 nan 0.000 0.464 398 H N 0.835 119.291 119.070 -1.024 0.000 2.363 398 H HA 0.067 4.623 4.556 0.000 0.000 0.301 398 H C 1.501 176.458 175.328 -0.619 0.000 1.074 398 H CA 1.508 56.830 56.048 -1.211 0.000 1.354 398 H CB 0.094 28.890 29.762 -1.609 0.000 1.397 398 H HN -0.017 nan 8.280 nan 0.000 0.516 399 N N -0.632 117.613 118.700 -0.757 0.000 2.395 399 N HA -0.007 4.733 4.740 0.000 0.000 0.175 399 N C 1.125 176.377 175.510 -0.429 0.000 1.029 399 N CA 1.065 53.633 53.050 -0.804 0.000 0.897 399 N CB 1.059 38.641 38.487 -1.508 0.000 0.991 399 N HN 0.265 nan 8.380 nan 0.000 0.441 400 V N 0.554 120.286 119.914 -0.302 0.000 3.449 400 V HA 0.150 4.270 4.120 0.000 0.000 0.208 400 V C 2.110 178.178 176.094 -0.042 0.000 1.269 400 V CA -0.103 62.151 62.300 -0.077 0.000 1.301 400 V CB -0.021 31.824 31.823 0.036 0.000 1.306 400 V HN -0.069 nan 8.190 nan 0.000 0.531 401 I N 0.737 121.298 120.570 -0.014 0.000 2.091 401 I HA -0.332 3.839 4.170 0.000 0.000 0.239 401 I C 2.585 178.717 176.117 0.025 0.000 1.061 401 I CA 2.112 63.432 61.300 0.032 0.000 1.317 401 I CB -0.478 37.577 38.000 0.091 0.000 1.031 401 I HN 0.413 nan 8.210 nan 0.000 0.401 402 c N 0.524 119.130 118.600 0.010 0.000 2.440 402 c HA -0.038 4.532 4.570 0.000 0.000 0.278 402 c C 0.238 174.364 174.090 0.059 0.000 1.295 402 c CA 0.657 57.031 56.329 0.075 0.000 1.738 402 c CB -1.839 40.758 42.510 0.145 0.000 1.987 402 c HN 0.371 nan 8.230 nan 0.000 0.492 403 P HA -0.077 nan 4.420 nan 0.000 0.219 403 P C 1.715 179.045 177.300 0.049 0.000 1.150 403 P CA 1.004 64.083 63.100 -0.035 0.000 0.814 403 P CB -0.173 31.413 31.700 -0.190 0.000 0.787 404 L N -1.873 119.360 121.223 0.017 0.000 2.109 404 L HA -0.104 4.236 4.340 0.000 0.000 0.207 404 L C 2.008 178.928 176.870 0.085 0.000 1.086 404 L CA 1.535 56.399 54.840 0.040 0.000 0.760 404 L CB -0.475 41.579 42.059 -0.009 0.000 0.910 404 L HN -0.109 nan 8.230 nan 0.000 0.437 405 M N -1.063 118.580 119.600 0.071 0.000 2.229 405 M HA -0.191 4.289 4.480 0.000 0.000 0.264 405 M C 2.229 178.592 176.300 0.105 0.000 1.063 405 M CA 1.540 56.875 55.300 0.058 0.000 1.114 405 M CB -1.525 31.128 32.600 0.089 0.000 1.387 405 M HN 0.424 nan 8.290 nan 0.000 0.420 406 H N -0.070 119.041 119.070 0.068 0.000 2.353 406 H HA -0.174 4.382 4.556 0.000 0.000 0.300 406 H C 1.835 177.207 175.328 0.073 0.000 1.090 406 H CA 1.972 58.065 56.048 0.076 0.000 1.327 406 H CB -0.284 29.522 29.762 0.073 0.000 1.383 406 H HN 0.240 nan 8.280 nan 0.000 0.508 407 F N -0.126 119.797 119.950 -0.044 0.000 2.113 407 F HA -0.143 4.384 4.527 0.000 0.000 0.297 407 F C 2.491 178.218 175.800 -0.122 0.000 1.103 407 F CA 1.410 59.340 58.000 -0.116 0.000 1.248 407 F CB -0.891 38.045 39.000 -0.106 0.000 0.999 407 F HN 0.124 nan 8.300 nan 0.000 0.475 408 V N 1.117 120.953 119.914 -0.131 0.000 2.407 408 V HA -0.291 3.829 4.120 0.000 0.000 0.248 408 V C 2.174 178.107 176.094 -0.268 0.000 1.055 408 V CA 2.515 64.634 62.300 -0.301 0.000 1.049 408 V CB -0.619 30.948 31.823 -0.427 0.000 0.662 408 V HN 0.431 nan 8.190 nan 0.000 0.455 409 N N -0.199 118.414 118.700 -0.145 0.000 2.216 409 N HA -0.097 4.643 4.740 0.000 0.000 0.183 409 N C 1.816 177.293 175.510 -0.054 0.000 1.017 409 N CA 1.053 54.111 53.050 0.013 0.000 0.861 409 N CB -0.213 38.317 38.487 0.072 0.000 0.986 409 N HN 0.420 nan 8.380 nan 0.000 0.428 410 K N 0.455 120.743 120.400 -0.186 0.000 2.062 410 K HA -0.096 4.224 4.320 0.000 0.000 0.205 410 K C 1.934 178.509 176.600 -0.042 0.000 1.051 410 K CA 0.607 56.812 56.287 -0.136 0.000 0.941 410 K CB -0.685 31.666 32.500 -0.247 0.000 0.719 410 K HN 0.269 nan 8.250 nan 0.000 0.440 411 Y N 2.384 122.452 120.300 -0.386 0.000 2.145 411 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 411 Y C 2.214 178.120 175.900 0.010 0.000 1.145 411 Y CA 1.918 59.824 58.100 -0.323 0.000 1.148 411 Y CB -0.471 37.528 38.460 -0.769 0.000 0.981 411 Y HN 0.031 nan 8.280 nan 0.000 0.507 412 T N 0.660 115.245 114.554 0.051 0.000 2.822 412 T HA -0.224 4.126 4.350 0.000 0.000 0.270 412 T C 1.680 176.359 174.700 -0.036 0.000 1.064 412 T CA 1.806 63.954 62.100 0.079 0.000 1.131 412 T CB -0.223 68.783 68.868 0.230 0.000 0.858 412 T HN 0.363 nan 8.240 nan 0.000 0.483 413 K N -0.182 120.156 120.400 -0.104 0.000 2.211 413 K HA 0.003 4.323 4.320 0.000 0.000 0.203 413 K C 1.335 177.605 176.600 -0.550 0.000 1.050 413 K CA 1.153 57.238 56.287 -0.336 0.000 0.945 413 K CB -0.072 32.149 32.500 -0.465 0.000 0.732 413 K HN 0.406 nan 8.250 nan 0.000 0.451 414 F N -0.183 119.680 119.950 -0.145 0.000 2.740 414 F HA 0.213 4.740 4.527 0.000 0.000 0.304 414 F C 1.570 177.216 175.800 -0.256 0.000 1.098 414 F CA -0.508 57.366 58.000 -0.210 0.000 1.258 414 F CB -0.230 38.580 39.000 -0.316 0.000 1.061 414 F HN -0.097 nan 8.300 nan 0.000 0.598 415 G N 0.182 108.846 108.800 -0.227 0.000 2.744 415 G HA2 -0.119 3.841 3.960 0.000 0.000 0.257 415 G HA3 -0.119 3.841 3.960 0.000 0.000 0.257 415 G C 0.455 175.362 174.900 0.012 0.000 1.244 415 G CA -0.165 44.802 45.100 -0.221 0.000 0.916 415 G HN 0.344 nan 8.290 nan 0.000 0.564 416 N N -0.463 118.308 118.700 0.119 0.000 2.282 416 N HA 0.283 5.023 4.740 0.000 0.000 0.240 416 N C 0.231 175.807 175.510 0.109 0.000 1.182 416 N CA 0.431 53.535 53.050 0.090 0.000 0.874 416 N CB 0.406 38.943 38.487 0.083 0.000 1.126 416 N HN 0.899 nan 8.380 nan 0.000 0.516 417 G N 0.855 109.733 108.800 0.130 0.000 2.163 417 G HA2 -0.005 3.955 3.960 0.000 0.000 0.191 417 G HA3 -0.005 3.955 3.960 0.000 0.000 0.191 417 G C -1.205 173.717 174.900 0.038 0.000 1.517 417 G CA -0.703 44.432 45.100 0.059 0.000 1.024 417 G HN 0.018 nan 8.290 nan 0.000 0.664 418 T N 1.958 116.433 114.554 -0.133 0.000 2.807 418 T HA 0.666 5.016 4.350 0.000 0.000 0.279 418 T C -1.046 173.414 174.700 -0.400 0.000 0.993 418 T CA -0.224 61.808 62.100 -0.112 0.000 0.970 418 T CB 1.154 70.061 68.868 0.066 0.000 0.950 418 T HN 0.385 nan 8.240 nan 0.000 0.441 419 Y N 2.318 122.577 120.300 -0.067 0.000 2.326 419 Y HA 0.601 5.151 4.550 0.000 0.000 0.329 419 Y C -0.456 175.516 175.900 0.120 0.000 0.973 419 Y CA -1.141 56.868 58.100 -0.152 0.000 1.162 419 Y CB 1.418 39.360 38.460 -0.864 0.000 1.147 419 Y HN 0.422 nan 8.280 nan 0.000 0.456 420 L N 6.002 127.602 121.223 0.627 0.000 2.329 420 L HA 0.631 4.972 4.340 0.000 0.000 0.279 420 L C -1.230 176.105 176.870 0.775 0.000 1.014 420 L CA -1.058 54.092 54.840 0.517 0.000 0.814 420 L CB 0.716 42.966 42.059 0.318 0.000 1.257 420 L HN 0.516 nan 8.230 nan 0.000 0.424 421 Y N 3.153 123.765 120.300 0.520 0.000 2.576 421 Y HA 0.725 5.275 4.550 0.000 0.000 0.346 421 Y C -1.829 174.308 175.900 0.395 0.000 1.018 421 Y CA -2.115 56.226 58.100 0.403 0.000 1.050 421 Y CB 1.328 39.996 38.460 0.347 0.000 1.280 421 Y HN 0.531 nan 8.280 nan 0.000 0.474 422 F N 4.411 124.669 119.950 0.513 0.000 2.610 422 F HA 0.449 4.976 4.527 0.000 0.000 0.355 422 F C -1.850 174.235 175.800 0.475 0.000 1.140 422 F CA -1.786 56.436 58.000 0.370 0.000 1.037 422 F CB 0.598 39.764 39.000 0.277 0.000 1.287 422 F HN 0.566 nan 8.300 nan 0.000 0.457 423 F N 7.802 127.802 119.950 0.084 0.000 2.438 423 F HA 0.277 4.804 4.527 0.000 0.000 0.360 423 F C 0.347 176.001 175.800 -0.242 0.000 1.118 423 F CA -0.167 57.833 58.000 -0.000 0.000 1.164 423 F CB 0.448 39.517 39.000 0.115 0.000 1.131 423 F HN 0.536 nan 8.300 nan 0.000 0.527 424 N N 3.661 122.024 118.700 -0.562 0.000 2.571 424 N HA 0.070 4.811 4.740 0.000 0.000 0.298 424 N C -1.228 174.068 175.510 -0.355 0.000 1.671 424 N CA -0.496 52.327 53.050 -0.379 0.000 0.900 424 N CB -0.591 37.838 38.487 -0.096 0.000 1.365 424 N HN 0.607 nan 8.380 nan 0.000 0.493 425 H N 0.563 119.142 119.070 -0.819 0.000 2.488 425 H HA 0.534 5.090 4.556 0.000 0.000 0.322 425 H C -0.449 174.732 175.328 -0.245 0.000 1.078 425 H CA -0.621 55.112 56.048 -0.524 0.000 1.260 425 H CB 1.131 30.477 29.762 -0.693 0.000 1.425 425 H HN 0.111 nan 8.280 nan 0.000 0.471 426 R N 4.212 124.299 120.500 -0.689 0.000 2.205 426 R HA 0.486 4.826 4.340 0.000 0.000 0.342 426 R C -0.697 175.266 176.300 -0.560 0.000 1.058 426 R CA -0.207 55.641 56.100 -0.419 0.000 0.904 426 R CB -0.241 29.930 30.300 -0.215 0.000 1.089 426 R HN 0.756 nan 8.270 nan 0.000 0.471 427 A N 3.399 126.128 122.820 -0.152 0.000 2.565 427 A HA 0.059 4.379 4.320 0.000 0.000 0.237 427 A C 1.198 178.805 177.584 0.038 0.000 1.053 427 A CA 0.601 52.727 52.037 0.149 0.000 0.755 427 A CB 0.047 19.282 19.000 0.392 0.000 0.980 427 A HN 1.048 nan 8.150 nan 0.000 0.506 428 S N 1.408 117.163 115.700 0.092 0.000 2.428 428 S HA -0.154 4.316 4.470 0.000 0.000 0.230 428 S C 0.911 175.484 174.600 -0.044 0.000 1.014 428 S CA 1.046 59.261 58.200 0.025 0.000 0.957 428 S CB -0.422 62.818 63.200 0.067 0.000 0.784 428 S HN 0.945 nan 8.310 nan 0.000 0.499 429 N N 1.086 119.710 118.700 -0.126 0.000 2.279 429 N HA 0.204 4.944 4.740 0.000 0.000 0.226 429 N C -0.011 175.431 175.510 -0.113 0.000 1.126 429 N CA -0.421 52.526 53.050 -0.173 0.000 0.846 429 N CB -0.295 37.985 38.487 -0.344 0.000 1.050 429 N HN 0.271 nan 8.380 nan 0.000 0.502 430 L N 1.866 123.069 121.223 -0.034 0.000 2.490 430 L HA 0.027 4.367 4.340 0.000 0.000 0.274 430 L C 1.308 178.177 176.870 -0.001 0.000 1.201 430 L CA 0.365 55.220 54.840 0.025 0.000 0.869 430 L CB 1.104 43.190 42.059 0.045 0.000 1.123 430 L HN 0.233 nan 8.230 nan 0.000 0.484 431 V N 1.491 121.388 119.914 -0.027 0.000 3.608 431 V HA 0.092 4.212 4.120 0.000 0.000 0.269 431 V C 0.550 176.644 176.094 0.000 0.000 1.245 431 V CA -0.510 61.744 62.300 -0.077 0.000 1.138 431 V CB -0.761 30.902 31.823 -0.267 0.000 0.841 431 V HN 0.647 nan 8.190 nan 0.000 0.451 432 W N 1.768 123.099 121.300 0.051 0.000 2.283 432 W HA 0.576 5.236 4.660 0.000 0.000 0.341 432 W C -1.791 174.654 176.519 -0.123 0.000 1.206 432 W CA -2.164 55.173 57.345 -0.012 0.000 1.294 432 W CB -0.015 29.366 29.460 -0.132 0.000 1.154 432 W HN -0.049 nan 8.180 nan 0.000 0.613 433 P HA -0.006 nan 4.420 nan 0.000 0.270 433 P C 0.036 177.288 177.300 -0.081 0.000 1.223 433 P CA 0.326 63.427 63.100 0.002 0.000 0.785 433 P CB 0.975 32.719 31.700 0.072 0.000 0.923 434 E N 0.810 121.022 120.200 0.020 0.000 2.110 434 E HA -0.144 4.206 4.350 0.000 0.000 0.193 434 E C 1.809 178.444 176.600 0.058 0.000 0.988 434 E CA 1.194 57.613 56.400 0.032 0.000 0.804 434 E CB -0.337 29.411 29.700 0.079 0.000 0.745 434 E HN 0.677 nan 8.360 nan 0.000 0.458 435 W N 0.463 121.808 121.300 0.076 0.000 2.387 435 W HA -0.155 4.505 4.660 0.000 0.000 0.272 435 W C 1.365 177.943 176.519 0.098 0.000 1.224 435 W CA 0.574 57.974 57.345 0.091 0.000 1.210 435 W CB -0.599 28.925 29.460 0.107 0.000 1.125 435 W HN 0.035 nan 8.180 nan 0.000 0.572 436 M N 1.267 120.458 119.600 -0.682 0.000 2.492 436 M HA 0.108 4.588 4.480 0.000 0.000 0.262 436 M C 1.778 177.928 176.300 -0.250 0.000 1.090 436 M CA 1.599 56.449 55.300 -0.750 0.000 1.110 436 M CB -0.709 31.294 32.600 -0.995 0.000 1.407 436 M HN 0.177 nan 8.290 nan 0.000 0.470 437 G N 0.488 109.213 108.800 -0.125 0.000 2.574 437 G HA2 -0.289 3.671 3.960 0.000 0.000 0.286 437 G HA3 -0.289 3.671 3.960 0.000 0.000 0.286 437 G C -0.190 174.679 174.900 -0.051 0.000 1.212 437 G CA -0.252 44.826 45.100 -0.037 0.000 0.979 437 G HN 0.200 nan 8.290 nan 0.000 0.557 438 V N 2.130 122.046 119.914 0.003 0.000 2.313 438 V HA 0.346 4.466 4.120 0.000 0.000 0.252 438 V C 1.158 177.306 176.094 0.090 0.000 1.112 438 V CA 0.016 62.350 62.300 0.056 0.000 0.984 438 V CB -0.185 31.669 31.823 0.052 0.000 1.157 438 V HN 0.520 nan 8.190 nan 0.000 0.493 439 I N 3.096 123.682 120.570 0.028 0.000 2.754 439 I HA 0.093 4.263 4.170 0.000 0.000 0.285 439 I C 0.919 177.169 176.117 0.223 0.000 1.166 439 I CA -0.400 60.912 61.300 0.020 0.000 1.417 439 I CB 0.172 37.988 38.000 -0.305 0.000 1.382 439 I HN 0.580 nan 8.210 nan 0.000 0.588 440 H N 4.385 123.496 119.070 0.069 0.000 3.107 440 H HA 0.192 4.748 4.556 0.000 0.000 0.301 440 H C 0.962 176.275 175.328 -0.026 0.000 0.981 440 H CA 1.016 57.092 56.048 0.046 0.000 1.443 440 H CB 0.178 29.964 29.762 0.040 0.000 1.479 440 H HN 0.771 nan 8.280 nan 0.000 0.564 441 G N 3.691 112.297 108.800 -0.324 0.000 2.195 441 G HA2 -0.317 3.643 3.960 0.000 0.000 0.246 441 G HA3 -0.317 3.643 3.960 0.000 0.000 0.246 441 G C 0.479 175.332 174.900 -0.079 0.000 0.984 441 G CA 0.352 45.249 45.100 -0.339 0.000 0.633 441 G HN 0.621 nan 8.290 nan 0.000 0.525 442 Y N 1.538 121.889 120.300 0.085 0.000 2.470 442 Y HA 0.255 4.806 4.550 0.000 0.000 0.284 442 Y C 2.249 178.240 175.900 0.152 0.000 1.188 442 Y CA 0.812 59.042 58.100 0.217 0.000 1.269 442 Y CB 0.380 39.005 38.460 0.274 0.000 1.094 442 Y HN 0.521 nan 8.280 nan 0.000 0.518 443 E N -0.147 119.993 120.200 -0.100 0.000 2.415 443 E HA -0.038 4.312 4.350 0.000 0.000 0.197 443 E C 1.654 178.162 176.600 -0.153 0.000 1.007 443 E CA 0.557 56.592 56.400 -0.608 0.000 0.890 443 E CB -0.420 28.590 29.700 -1.150 0.000 0.891 443 E HN 0.505 nan 8.360 nan 0.000 0.496 444 I N 2.745 123.314 120.570 -0.002 0.000 2.118 444 I HA -0.325 3.845 4.170 0.000 0.000 0.241 444 I C 2.630 178.788 176.117 0.067 0.000 1.070 444 I CA 2.240 63.592 61.300 0.085 0.000 1.327 444 I CB -0.505 37.593 38.000 0.163 0.000 1.034 444 I HN 0.224 nan 8.210 nan 0.000 0.405 445 E N 0.773 120.977 120.200 0.006 0.000 2.209 445 E HA -0.247 4.103 4.350 0.000 0.000 0.196 445 E C 2.012 178.491 176.600 -0.202 0.000 0.993 445 E CA 1.543 57.879 56.400 -0.106 0.000 0.819 445 E CB -0.518 29.121 29.700 -0.102 0.000 0.745 445 E HN 0.446 nan 8.360 nan 0.000 0.477 446 F N 0.938 120.810 119.950 -0.129 0.000 2.335 446 F HA -0.007 4.521 4.527 0.000 0.000 0.296 446 F C 2.306 177.940 175.800 -0.275 0.000 1.091 446 F CA 0.491 58.380 58.000 -0.184 0.000 1.399 446 F CB 0.001 38.942 39.000 -0.099 0.000 1.067 446 F HN -0.133 nan 8.300 nan 0.000 0.520 447 V N -1.118 118.711 119.914 -0.142 0.000 2.515 447 V HA -0.254 3.866 4.120 0.000 0.000 0.250 447 V C 1.441 177.335 176.094 -0.333 0.000 1.058 447 V CA 1.517 63.584 62.300 -0.389 0.000 1.064 447 V CB -0.623 31.001 31.823 -0.331 0.000 0.675 447 V HN 0.200 nan 8.190 nan 0.000 0.461 448 F N 0.351 120.153 119.950 -0.245 0.000 2.660 448 F HA 0.431 4.959 4.527 0.000 0.000 0.302 448 F C 1.799 177.484 175.800 -0.192 0.000 1.103 448 F CA 0.502 58.383 58.000 -0.199 0.000 1.340 448 F CB -0.144 38.727 39.000 -0.216 0.000 1.048 448 F HN 0.236 nan 8.300 nan 0.000 0.551 449 G N 0.098 108.797 108.800 -0.168 0.000 2.166 449 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 449 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 449 G C 1.262 175.829 174.900 -0.555 0.000 0.986 449 G CA 0.458 45.386 45.100 -0.287 0.000 0.683 449 G HN 0.273 nan 8.290 nan 0.000 0.527 450 L N 0.198 121.075 121.223 -0.577 0.000 2.129 450 L HA -0.075 4.265 4.340 0.000 0.000 0.212 450 L C 0.403 176.751 176.870 -0.870 0.000 1.087 450 L CA 2.724 57.141 54.840 -0.705 0.000 0.757 450 L CB -1.935 39.833 42.059 -0.486 0.000 0.896 450 L HN 0.226 nan 8.230 nan 0.000 0.434 451 P HA -0.114 nan 4.420 nan 0.000 0.222 451 P C 1.920 178.881 177.300 -0.565 0.000 1.147 451 P CA 0.792 63.142 63.100 -1.249 0.000 0.790 451 P CB 0.065 31.043 31.700 -1.203 0.000 0.780 452 L N -1.325 119.605 121.223 -0.489 0.000 2.551 452 L HA 0.005 4.346 4.340 0.000 0.000 0.228 452 L C 1.068 177.785 176.870 -0.255 0.000 1.153 452 L CA 0.479 55.137 54.840 -0.303 0.000 0.851 452 L CB -0.502 41.412 42.059 -0.241 0.000 0.959 452 L HN -0.059 nan 8.230 nan 0.000 0.451 453 V N 0.208 119.927 119.914 -0.325 0.000 2.333 453 V HA 0.164 4.284 4.120 0.000 0.000 0.274 453 V C 1.322 177.361 176.094 -0.092 0.000 1.028 453 V CA -0.765 61.417 62.300 -0.196 0.000 0.851 453 V CB 1.217 32.898 31.823 -0.237 0.000 1.000 453 V HN 0.135 nan 8.190 nan 0.000 0.456 454 K N 4.474 124.842 120.400 -0.053 0.000 2.032 454 K HA -0.259 4.062 4.320 0.000 0.000 0.218 454 K C 1.548 178.143 176.600 -0.009 0.000 1.054 454 K CA 2.440 58.715 56.287 -0.020 0.000 0.941 454 K CB -0.443 32.046 32.500 -0.019 0.000 0.720 454 K HN 0.910 nan 8.250 nan 0.000 0.449 455 E N 0.944 121.132 120.200 -0.019 0.000 2.393 455 E HA -0.118 4.232 4.350 0.000 0.000 0.201 455 E C 1.774 178.363 176.600 -0.019 0.000 1.025 455 E CA 0.606 56.994 56.400 -0.020 0.000 0.856 455 E CB -0.284 29.402 29.700 -0.024 0.000 0.771 455 E HN 0.285 nan 8.360 nan 0.000 0.526 456 L N 0.441 121.669 121.223 0.008 0.000 2.558 456 L HA 0.065 4.405 4.340 0.000 0.000 0.225 456 L C -0.004 176.862 176.870 -0.007 0.000 1.128 456 L CA -0.128 54.734 54.840 0.038 0.000 0.868 456 L CB -0.409 41.752 42.059 0.171 0.000 1.006 456 L HN 0.161 nan 8.230 nan 0.000 0.454 457 N N -0.224 118.483 118.700 0.011 0.000 2.714 457 N HA -0.229 4.511 4.740 0.000 0.000 0.253 457 N C -0.721 174.751 175.510 -0.064 0.000 1.024 457 N CA 0.871 53.903 53.050 -0.030 0.000 0.726 457 N CB -1.463 36.977 38.487 -0.078 0.000 0.908 457 N HN 0.293 nan 8.380 nan 0.000 0.542 458 Y N 0.317 120.586 120.300 -0.052 0.000 2.403 458 Y HA 0.290 4.840 4.550 0.000 0.000 0.323 458 Y C 1.695 177.595 175.900 0.001 0.000 1.226 458 Y CA -0.345 57.740 58.100 -0.024 0.000 1.235 458 Y CB 0.769 39.181 38.460 -0.081 0.000 1.248 458 Y HN 0.107 nan 8.280 nan 0.000 0.489 459 T N -1.616 113.062 114.554 0.207 0.000 2.828 459 T HA 0.362 4.712 4.350 0.000 0.000 0.290 459 T C 1.191 175.957 174.700 0.111 0.000 1.019 459 T CA -0.225 61.953 62.100 0.131 0.000 1.031 459 T CB 1.182 70.130 68.868 0.133 0.000 1.001 459 T HN 0.779 nan 8.240 nan 0.000 0.531 460 A N 0.880 123.739 122.820 0.066 0.000 1.972 460 A HA -0.028 4.293 4.320 0.000 0.000 0.219 460 A C 2.145 179.751 177.584 0.036 0.000 1.169 460 A CA 1.492 53.552 52.037 0.039 0.000 0.635 460 A CB -0.934 18.080 19.000 0.024 0.000 0.810 460 A HN 0.898 nan 8.150 nan 0.000 0.446 461 E N 0.243 120.471 120.200 0.046 0.000 2.150 461 E HA -0.114 4.236 4.350 0.000 0.000 0.193 461 E C 1.840 178.457 176.600 0.029 0.000 0.985 461 E CA 1.354 57.768 56.400 0.024 0.000 0.814 461 E CB -0.216 29.495 29.700 0.019 0.000 0.752 461 E HN 0.769 nan 8.360 nan 0.000 0.466 462 E N 0.344 120.609 120.200 0.109 0.000 2.152 462 E HA -0.144 4.206 4.350 0.000 0.000 0.192 462 E C 1.930 178.623 176.600 0.156 0.000 0.983 462 E CA 0.625 57.172 56.400 0.244 0.000 0.818 462 E CB 0.045 30.032 29.700 0.478 0.000 0.758 462 E HN 0.309 nan 8.360 nan 0.000 0.467 463 E N 0.887 121.106 120.200 0.033 0.000 2.072 463 E HA -0.182 4.168 4.350 0.000 0.000 0.191 463 E C 2.053 178.631 176.600 -0.036 0.000 0.985 463 E CA 0.924 57.285 56.400 -0.064 0.000 0.801 463 E CB -0.014 29.650 29.700 -0.060 0.000 0.750 463 E HN 0.197 nan 8.360 nan 0.000 0.452 464 A N 1.241 124.053 122.820 -0.012 0.000 1.902 464 A HA -0.169 4.151 4.320 0.000 0.000 0.217 464 A C 2.143 179.716 177.584 -0.019 0.000 1.181 464 A CA 1.296 53.318 52.037 -0.025 0.000 0.623 464 A CB -0.670 18.317 19.000 -0.023 0.000 0.818 464 A HN 0.386 nan 8.150 nan 0.000 0.443 465 L N -0.046 121.188 121.223 0.017 0.000 2.012 465 L HA -0.128 4.213 4.340 0.000 0.000 0.210 465 L C 2.538 179.463 176.870 0.091 0.000 1.073 465 L CA 2.746 57.602 54.840 0.026 0.000 0.748 465 L CB -0.890 41.158 42.059 -0.018 0.000 0.891 465 L HN 0.338 nan 8.230 nan 0.000 0.431 466 S N -0.808 114.998 115.700 0.177 0.000 2.368 466 S HA -0.194 4.276 4.470 0.000 0.000 0.225 466 S C 2.187 176.759 174.600 -0.047 0.000 1.030 466 S CA 1.299 59.556 58.200 0.095 0.000 0.999 466 S CB -0.251 62.882 63.200 -0.111 0.000 0.844 466 S HN 0.564 nan 8.310 nan 0.000 0.459 467 R N 0.726 121.188 120.500 -0.062 0.000 2.092 467 R HA -0.031 4.309 4.340 0.000 0.000 0.231 467 R C 2.658 178.902 176.300 -0.093 0.000 1.119 467 R CA 1.638 57.690 56.100 -0.079 0.000 0.970 467 R CB -0.279 29.972 30.300 -0.083 0.000 0.864 467 R HN 0.596 nan 8.270 nan 0.000 0.440 468 R N 0.293 120.715 120.500 -0.131 0.000 2.148 468 R HA 0.002 4.342 4.340 0.000 0.000 0.223 468 R C 1.942 178.041 176.300 -0.335 0.000 1.088 468 R CA 1.098 57.028 56.100 -0.284 0.000 0.985 468 R CB -0.398 29.709 30.300 -0.321 0.000 0.880 468 R HN 0.196 nan 8.270 nan 0.000 0.451 469 I N 1.277 121.777 120.570 -0.118 0.000 2.233 469 I HA -0.179 3.991 4.170 0.000 0.000 0.243 469 I C 2.542 178.604 176.117 -0.092 0.000 1.093 469 I CA 1.316 62.578 61.300 -0.062 0.000 1.380 469 I CB -0.162 37.689 38.000 -0.247 0.000 1.067 469 I HN 0.149 nan 8.210 nan 0.000 0.413 470 M N -0.519 119.003 119.600 -0.129 0.000 2.159 470 M HA -0.256 4.224 4.480 0.000 0.000 0.263 470 M C 2.388 178.753 176.300 0.108 0.000 1.063 470 M CA 1.741 56.996 55.300 -0.075 0.000 1.110 470 M CB -0.727 31.822 32.600 -0.085 0.000 1.374 470 M HN 0.271 nan 8.290 nan 0.000 0.411 471 H N -0.393 118.673 119.070 -0.007 0.000 2.395 471 H HA -0.124 4.432 4.556 0.000 0.000 0.299 471 H C 1.539 176.980 175.328 0.189 0.000 1.070 471 H CA 1.772 57.836 56.048 0.027 0.000 1.356 471 H CB 0.031 29.749 29.762 -0.074 0.000 1.401 471 H HN 0.263 nan 8.280 nan 0.000 0.524 472 Y N -0.854 119.607 120.300 0.268 0.000 2.145 472 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 472 Y C 2.518 178.601 175.900 0.305 0.000 1.145 472 Y CA 1.021 59.309 58.100 0.313 0.000 1.148 472 Y CB -1.021 37.827 38.460 0.645 0.000 0.981 472 Y HN 0.352 nan 8.280 nan 0.000 0.507 473 W N -0.413 120.978 121.300 0.152 0.000 2.354 473 W HA -0.242 4.418 4.660 0.000 0.000 0.315 473 W C 2.624 179.142 176.519 -0.002 0.000 1.206 473 W CA 1.204 58.572 57.345 0.038 0.000 1.290 473 W CB -0.603 28.824 29.460 -0.055 0.000 1.152 473 W HN 0.059 nan 8.180 nan 0.000 0.489 474 A N 0.193 123.126 122.820 0.189 0.000 1.877 474 A HA -0.187 4.133 4.320 0.000 0.000 0.216 474 A C 1.822 179.387 177.584 -0.030 0.000 1.186 474 A CA 2.452 54.511 52.037 0.038 0.000 0.620 474 A CB -1.282 17.733 19.000 0.024 0.000 0.822 474 A HN 0.233 nan 8.150 nan 0.000 0.443 475 T N -0.730 113.760 114.554 -0.108 0.000 2.746 475 T HA -0.131 4.220 4.350 0.000 0.000 0.267 475 T C 1.609 176.254 174.700 -0.093 0.000 1.039 475 T CA 1.549 63.551 62.100 -0.163 0.000 1.142 475 T CB -0.404 68.289 68.868 -0.292 0.000 0.866 475 T HN 0.503 nan 8.240 nan 0.000 0.444 476 F N 2.390 122.233 119.950 -0.179 0.000 2.102 476 F HA 0.004 4.532 4.527 0.000 0.000 0.298 476 F C 2.446 178.156 175.800 -0.151 0.000 1.105 476 F CA 1.012 58.875 58.000 -0.227 0.000 1.239 476 F CB -0.704 38.094 39.000 -0.337 0.000 0.991 476 F HN 0.138 nan 8.300 nan 0.000 0.474 477 A N 1.158 123.891 122.820 -0.145 0.000 1.940 477 A HA -0.246 4.074 4.320 0.000 0.000 0.219 477 A C 2.161 179.611 177.584 -0.223 0.000 1.176 477 A CA 2.099 54.018 52.037 -0.197 0.000 0.631 477 A CB -0.872 18.092 19.000 -0.060 0.000 0.814 477 A HN 0.641 nan 8.150 nan 0.000 0.446 478 K N -1.170 119.129 120.400 -0.168 0.000 2.426 478 K HA 0.033 4.353 4.320 0.000 0.000 0.193 478 K C 1.069 177.580 176.600 -0.149 0.000 1.028 478 K CA 1.397 57.606 56.287 -0.130 0.000 1.047 478 K CB -0.062 32.392 32.500 -0.077 0.000 0.821 478 K HN 0.483 nan 8.250 nan 0.000 0.513 479 T N -5.095 109.331 114.554 -0.214 0.000 3.073 479 T HA 0.267 4.617 4.350 0.000 0.000 0.264 479 T C 1.271 175.834 174.700 -0.229 0.000 0.893 479 T CA 0.360 62.355 62.100 -0.174 0.000 0.863 479 T CB 0.727 69.528 68.868 -0.111 0.000 1.247 479 T HN 0.314 nan 8.240 nan 0.000 0.546 480 G N 1.621 110.149 108.800 -0.453 0.000 2.157 480 G HA2 -0.176 3.784 3.960 0.000 0.000 0.248 480 G HA3 -0.176 3.784 3.960 0.000 0.000 0.248 480 G C -0.218 174.591 174.900 -0.152 0.000 0.979 480 G CA 0.070 44.864 45.100 -0.509 0.000 0.650 480 G HN 0.862 nan 8.290 nan 0.000 0.529 481 N N -0.204 118.401 118.700 -0.158 0.000 2.478 481 N HA 0.407 5.147 4.740 0.000 0.000 0.291 481 N C -1.881 173.493 175.510 -0.227 0.000 1.090 481 N CA -1.375 51.569 53.050 -0.177 0.000 0.911 481 N CB 2.479 40.940 38.487 -0.044 0.000 1.546 481 N HN -0.055 nan 8.380 nan 0.000 0.500 482 P HA -0.018 nan 4.420 nan 0.000 0.234 482 P C -0.530 176.793 177.300 0.037 0.000 1.167 482 P CA 0.494 63.463 63.100 -0.219 0.000 0.763 482 P CB 0.333 31.669 31.700 -0.607 0.000 0.835 483 N N 1.177 119.861 118.700 -0.027 0.000 2.456 483 N HA 0.166 4.906 4.740 0.000 0.000 0.288 483 N C -0.046 175.520 175.510 0.092 0.000 1.059 483 N CA -0.289 52.834 53.050 0.122 0.000 0.946 483 N CB 1.385 39.946 38.487 0.124 0.000 1.150 483 N HN 0.119 nan 8.380 nan 0.000 0.479 484 E N 1.836 122.121 120.200 0.140 0.000 2.229 484 E HA 0.272 4.623 4.350 0.000 0.000 0.283 484 E C -1.679 174.981 176.600 0.100 0.000 1.030 484 E CA -1.338 55.132 56.400 0.115 0.000 0.836 484 E CB 0.646 30.451 29.700 0.174 0.000 1.068 484 E HN 0.318 nan 8.360 nan 0.000 0.401 491 K N 1.846 122.344 120.400 0.164 0.000 2.211 491 K HA 0.211 4.531 4.320 0.000 0.000 0.275 491 K C -0.692 176.069 176.600 0.268 0.000 1.024 491 K CA -0.616 55.800 56.287 0.215 0.000 0.887 491 K CB 0.915 33.521 32.500 0.177 0.000 1.084 491 K HN 0.610 nan 8.250 nan 0.000 0.463 492 W N 7.793 129.139 121.300 0.076 0.000 2.605 492 W HA 0.068 4.728 4.660 0.000 0.000 0.327 492 W C -2.236 174.395 176.519 0.186 0.000 1.332 492 W CA -2.233 55.151 57.345 0.065 0.000 1.403 492 W CB -0.224 29.178 29.460 -0.098 0.000 1.452 492 W HN 0.442 nan 8.180 nan 0.000 0.503 493 P HA -0.007 nan 4.420 nan 0.000 0.272 493 P C -0.641 176.904 177.300 0.409 0.000 1.230 493 P CA -0.396 62.930 63.100 0.376 0.000 0.788 493 P CB 1.416 33.247 31.700 0.218 0.000 0.949 494 L N 2.646 123.972 121.223 0.171 0.000 2.349 494 L HA 0.313 4.654 4.340 0.000 0.000 0.275 494 L C -0.135 176.747 176.870 0.019 0.000 1.115 494 L CA -0.544 54.237 54.840 -0.097 0.000 0.820 494 L CB -0.390 41.584 42.059 -0.142 0.000 1.135 494 L HN 0.197 nan 8.230 nan 0.000 0.445 495 F N 4.447 124.332 119.950 -0.108 0.000 2.472 495 F HA 0.436 4.963 4.527 0.000 0.000 0.364 495 F C 0.348 176.132 175.800 -0.026 0.000 1.090 495 F CA -0.100 57.907 58.000 0.013 0.000 1.188 495 F CB 0.431 39.465 39.000 0.057 0.000 1.105 495 F HN 0.652 nan 8.300 nan 0.000 0.536 496 T N 1.236 115.520 114.554 -0.450 0.000 2.924 496 T HA 0.276 4.626 4.350 0.000 0.000 0.291 496 T C 0.944 175.406 174.700 -0.396 0.000 1.045 496 T CA -0.437 61.508 62.100 -0.260 0.000 1.015 496 T CB 1.532 70.300 68.868 -0.166 0.000 1.103 496 T HN 0.521 nan 8.240 nan 0.000 0.496 497 T N 0.923 115.392 114.554 -0.141 0.000 2.720 497 T HA -0.121 4.229 4.350 0.000 0.000 0.268 497 T C 1.779 176.402 174.700 -0.129 0.000 1.037 497 T CA 1.867 63.918 62.100 -0.082 0.000 1.144 497 T CB -0.339 68.506 68.868 -0.039 0.000 0.864 497 T HN 0.736 nan 8.240 nan 0.000 0.444 498 K N 1.442 121.764 120.400 -0.131 0.000 1.974 498 K HA -0.012 4.308 4.320 0.000 0.000 0.211 498 K C 2.150 178.672 176.600 -0.130 0.000 1.039 498 K CA 1.563 57.788 56.287 -0.103 0.000 0.947 498 K CB -0.318 32.135 32.500 -0.078 0.000 0.735 498 K HN 0.294 nan 8.250 nan 0.000 0.441 499 E N 0.567 120.672 120.200 -0.158 0.000 2.358 499 E HA -0.081 4.269 4.350 0.000 0.000 0.195 499 E C -0.375 176.094 176.600 -0.218 0.000 1.010 499 E CA 0.248 56.560 56.400 -0.146 0.000 0.856 499 E CB 0.088 29.723 29.700 -0.108 0.000 0.795 499 E HN 0.345 nan 8.360 nan 0.000 0.504 500 Q N 1.074 120.583 119.800 -0.485 0.000 2.406 500 Q HA -0.223 4.117 4.340 0.000 0.000 0.339 500 Q C -0.785 175.058 176.000 -0.261 0.000 1.337 500 Q CA 0.625 55.914 55.803 -0.857 0.000 0.985 500 Q CB -1.312 27.212 28.738 -0.356 0.000 1.216 500 Q HN 0.214 nan 8.270 nan 0.000 0.415 501 K N 0.661 120.969 120.400 -0.153 0.000 2.126 501 K HA 0.644 4.964 4.320 0.000 0.000 0.257 501 K C -0.054 176.808 176.600 0.437 0.000 1.007 501 K CA -0.196 56.158 56.287 0.112 0.000 0.928 501 K CB 0.604 33.130 32.500 0.042 0.000 1.013 501 K HN 0.252 nan 8.250 nan 0.000 0.473 502 F N -0.300 119.809 119.950 0.265 0.000 2.713 502 F HA 0.574 5.101 4.527 0.000 0.000 0.311 502 F C -1.294 174.592 175.800 0.143 0.000 1.141 502 F CA -1.483 56.704 58.000 0.312 0.000 0.939 502 F CB 0.765 39.972 39.000 0.345 0.000 1.325 502 F HN 0.435 nan 8.300 nan 0.000 0.453 503 I N -0.423 120.262 120.570 0.191 0.000 2.797 503 I HA 0.643 4.813 4.170 0.000 0.000 0.307 503 I C -1.074 175.181 176.117 0.229 0.000 1.033 503 I CA -0.811 60.431 61.300 -0.097 0.000 1.071 503 I CB 1.996 39.718 38.000 -0.464 0.000 1.255 503 I HN 0.470 nan 8.210 nan 0.000 0.445 504 D N 3.239 123.740 120.400 0.168 0.000 2.283 504 D HA 0.454 5.094 4.640 0.000 0.000 0.248 504 D C -0.921 175.460 176.300 0.134 0.000 1.072 504 D CA 0.063 54.264 54.000 0.335 0.000 0.929 504 D CB 2.253 43.244 40.800 0.318 0.000 1.182 504 D HN 0.285 nan 8.370 nan 0.000 0.433 505 L N 3.036 124.339 121.223 0.133 0.000 2.417 505 L HA 0.256 4.596 4.340 0.000 0.000 0.259 505 L C -0.679 176.096 176.870 -0.158 0.000 1.023 505 L CA -0.367 54.493 54.840 0.034 0.000 0.901 505 L CB 0.088 42.243 42.059 0.160 0.000 1.227 505 L HN 0.445 nan 8.230 nan 0.000 0.454 506 N N -0.686 117.934 118.700 -0.134 0.000 3.418 506 N HA 0.374 5.114 4.740 0.000 0.000 0.316 506 N C 0.498 175.891 175.510 -0.195 0.000 1.601 506 N CA -0.068 52.846 53.050 -0.226 0.000 0.805 506 N CB 0.353 38.776 38.487 -0.107 0.000 1.873 506 N HN 0.042 nan 8.380 nan 0.000 0.615 507 T N -3.573 110.847 114.554 -0.223 0.000 3.148 507 T HA 0.178 4.528 4.350 0.000 0.000 0.253 507 T C -0.021 174.644 174.700 -0.058 0.000 1.134 507 T CA 0.384 62.385 62.100 -0.165 0.000 1.051 507 T CB -0.466 68.289 68.868 -0.189 0.000 0.959 507 T HN 0.477 nan 8.240 nan 0.000 0.525 508 E N 1.886 122.069 120.200 -0.028 0.000 2.250 508 E HA 0.381 4.731 4.350 0.000 0.000 0.265 508 E C -2.616 173.986 176.600 0.004 0.000 1.033 508 E CA -2.641 53.760 56.400 0.001 0.000 0.888 508 E CB 0.495 30.207 29.700 0.021 0.000 1.151 508 E HN 0.146 nan 8.360 nan 0.000 0.412 509 P HA -0.099 nan 4.420 nan 0.000 0.264 509 P C -0.273 177.031 177.300 0.008 0.000 1.183 509 P CA 0.406 63.514 63.100 0.014 0.000 0.763 509 P CB 0.352 32.060 31.700 0.013 0.000 0.807 510 M N 3.254 122.863 119.600 0.015 0.000 2.235 510 M HA -0.055 4.425 4.480 0.000 0.000 0.336 510 M C -0.324 175.939 176.300 -0.062 0.000 1.146 510 M CA 1.121 56.413 55.300 -0.012 0.000 1.018 510 M CB 0.167 32.776 32.600 0.015 0.000 1.694 510 M HN 0.139 nan 8.290 nan 0.000 0.451 511 K N 4.391 124.712 120.400 -0.131 0.000 2.482 511 K HA 0.498 4.818 4.320 0.000 0.000 0.251 511 K C -1.604 174.708 176.600 -0.480 0.000 0.936 511 K CA -0.642 55.489 56.287 -0.261 0.000 0.791 511 K CB 2.265 34.623 32.500 -0.237 0.000 1.213 511 K HN 0.568 nan 8.250 nan 0.000 0.428 512 V N 4.143 123.764 119.914 -0.488 0.000 2.481 512 V HA 0.397 4.517 4.120 0.000 0.000 0.286 512 V C 0.029 175.682 176.094 -0.735 0.000 1.042 512 V CA -0.535 61.461 62.300 -0.506 0.000 0.928 512 V CB 1.240 32.924 31.823 -0.232 0.000 0.986 512 V HN 0.660 nan 8.190 nan 0.000 0.462 513 H N 2.718 121.446 119.070 -0.570 0.000 2.949 513 H HA 0.672 5.229 4.556 0.000 0.000 0.310 513 H C -1.035 174.018 175.328 -0.458 0.000 1.405 513 H CA -0.851 54.836 56.048 -0.601 0.000 1.253 513 H CB 2.053 31.240 29.762 -0.957 0.000 1.932 513 H HN 0.582 nan 8.280 nan 0.000 0.602 514 Q N 0.293 120.087 119.800 -0.010 0.000 2.379 514 Q HA 0.377 4.717 4.340 0.000 0.000 0.278 514 Q C -0.690 175.484 176.000 0.289 0.000 1.068 514 Q CA -0.904 54.982 55.803 0.139 0.000 0.816 514 Q CB 3.006 31.775 28.738 0.052 0.000 1.387 514 Q HN 0.489 nan 8.270 nan 0.000 0.413 515 R N 0.789 121.486 120.500 0.327 0.000 3.146 515 R HA -0.204 4.136 4.340 0.000 0.000 0.250 515 R C -0.499 175.964 176.300 0.271 0.000 0.912 515 R CA -0.126 56.137 56.100 0.273 0.000 0.633 515 R CB -1.655 28.741 30.300 0.161 0.000 1.180 515 R HN 0.502 nan 8.270 nan 0.000 0.464 516 L N 2.122 123.503 121.223 0.263 0.000 2.660 516 L HA -0.041 4.300 4.340 0.000 0.000 0.272 516 L C 0.880 177.742 176.870 -0.014 0.000 1.194 516 L CA 0.764 55.556 54.840 -0.080 0.000 0.945 516 L CB -0.110 41.581 42.059 -0.614 0.000 1.212 516 L HN 0.434 nan 8.230 nan 0.000 0.490 517 R N 2.399 122.890 120.500 -0.016 0.000 3.266 517 R HA -0.221 4.119 4.340 0.000 0.000 0.245 517 R C 1.224 177.589 176.300 0.108 0.000 0.941 517 R CA 0.663 56.793 56.100 0.049 0.000 0.638 517 R CB -1.813 28.532 30.300 0.074 0.000 1.019 517 R HN 0.700 nan 8.270 nan 0.000 0.462 518 V N 0.304 120.283 119.914 0.107 0.000 2.407 518 V HA -0.327 3.793 4.120 0.000 0.000 0.248 518 V C 2.319 178.488 176.094 0.126 0.000 1.055 518 V CA 2.550 64.926 62.300 0.127 0.000 1.049 518 V CB -0.034 31.859 31.823 0.117 0.000 0.662 518 V HN 0.494 nan 8.190 nan 0.000 0.455 519 Q N -0.538 119.317 119.800 0.092 0.000 2.002 519 Q HA -0.211 4.130 4.340 0.000 0.000 0.204 519 Q C 2.152 178.218 176.000 0.110 0.000 0.988 519 Q CA 2.625 58.469 55.803 0.069 0.000 0.843 519 Q CB -0.421 28.326 28.738 0.016 0.000 0.908 519 Q HN 0.530 nan 8.270 nan 0.000 0.420 520 M N -0.924 118.759 119.600 0.137 0.000 2.159 520 M HA -0.153 4.327 4.480 0.000 0.000 0.263 520 M C 2.383 178.966 176.300 0.472 0.000 1.063 520 M CA 1.009 56.462 55.300 0.255 0.000 1.110 520 M CB -1.277 31.525 32.600 0.337 0.000 1.374 520 M HN 0.342 nan 8.290 nan 0.000 0.411 521 c N -0.447 118.382 118.600 0.380 0.000 2.448 521 c HA -0.022 4.548 4.570 0.000 0.000 0.280 521 c C 2.930 177.213 174.090 0.322 0.000 1.398 521 c CA 0.185 56.750 56.329 0.392 0.000 1.774 521 c CB -0.910 41.764 42.510 0.272 0.000 1.888 521 c HN 0.322 nan 8.230 nan 0.000 0.519 522 V N 0.428 120.494 119.914 0.254 0.000 2.427 522 V HA -0.206 3.915 4.120 0.000 0.000 0.248 522 V C 2.027 178.254 176.094 0.221 0.000 1.051 522 V CA 2.085 64.506 62.300 0.202 0.000 1.048 522 V CB -0.736 31.176 31.823 0.149 0.000 0.666 522 V HN 0.575 nan 8.190 nan 0.000 0.456 523 F N -0.127 119.877 119.950 0.090 0.000 2.084 523 F HA -0.175 4.352 4.527 0.000 0.000 0.296 523 F C 1.958 177.773 175.800 0.024 0.000 1.111 523 F CA 1.707 59.715 58.000 0.013 0.000 1.224 523 F CB -0.362 38.532 39.000 -0.176 0.000 0.991 523 F HN 0.168 nan 8.300 nan 0.000 0.471 524 W N 0.511 121.930 121.300 0.199 0.000 2.436 524 W HA -0.068 4.592 4.660 0.000 0.000 0.284 524 W C 2.018 178.535 176.519 -0.004 0.000 1.225 524 W CA 0.706 58.095 57.345 0.074 0.000 1.271 524 W CB -0.406 29.211 29.460 0.263 0.000 1.114 524 W HN -0.031 nan 8.180 nan 0.000 0.559 525 N N -0.751 118.088 118.700 0.233 0.000 2.409 525 N HA -0.016 4.724 4.740 0.000 0.000 0.174 525 N C 1.397 176.929 175.510 0.036 0.000 1.037 525 N CA 0.933 54.041 53.050 0.096 0.000 0.898 525 N CB -0.037 38.531 38.487 0.135 0.000 1.010 525 N HN 0.365 nan 8.380 nan 0.000 0.445 526 Q N -1.180 118.653 119.800 0.055 0.000 2.644 526 Q HA 0.195 4.535 4.340 0.000 0.000 0.220 526 Q C 1.261 177.263 176.000 0.004 0.000 0.866 526 Q CA -0.169 55.660 55.803 0.043 0.000 0.915 526 Q CB 0.060 28.855 28.738 0.095 0.000 1.191 526 Q HN 0.106 nan 8.270 nan 0.000 0.641 527 F N 2.023 121.884 119.950 -0.148 0.000 2.051 527 F HA -0.200 4.327 4.527 0.000 0.000 0.296 527 F C 2.013 177.619 175.800 -0.322 0.000 1.122 527 F CA 1.129 59.005 58.000 -0.207 0.000 1.201 527 F CB -0.287 38.600 39.000 -0.188 0.000 0.978 527 F HN 0.042 nan 8.300 nan 0.000 0.472 528 L N 0.995 121.838 121.223 -0.634 0.000 1.989 528 L HA -0.094 4.246 4.340 0.000 0.000 0.211 528 L C -0.792 175.827 176.870 -0.418 0.000 1.071 528 L CA 2.194 56.618 54.840 -0.694 0.000 0.749 528 L CB -1.932 39.668 42.059 -0.765 0.000 0.890 528 L HN 0.001 nan 8.230 nan 0.000 0.431 529 P HA -0.240 nan 4.420 nan 0.000 0.215 529 P C 1.513 178.701 177.300 -0.186 0.000 1.157 529 P CA 1.788 64.797 63.100 -0.151 0.000 0.874 529 P CB -0.060 31.581 31.700 -0.097 0.000 0.790 530 K N -0.392 119.873 120.400 -0.226 0.000 2.057 530 K HA -0.148 4.172 4.320 0.000 0.000 0.207 530 K C 2.046 178.474 176.600 -0.287 0.000 1.049 530 K CA 1.086 57.245 56.287 -0.214 0.000 0.931 530 K CB -0.786 31.603 32.500 -0.186 0.000 0.714 530 K HN 0.037 nan 8.250 nan 0.000 0.440 531 L N 0.717 121.651 121.223 -0.481 0.000 2.056 531 L HA -0.125 4.215 4.340 0.000 0.000 0.207 531 L C 1.931 178.641 176.870 -0.266 0.000 1.078 531 L CA 1.146 55.706 54.840 -0.466 0.000 0.749 531 L CB -0.082 41.538 42.059 -0.732 0.000 0.901 531 L HN 0.229 nan 8.230 nan 0.000 0.433 532 L N -0.111 120.974 121.223 -0.230 0.000 2.156 532 L HA -0.172 4.168 4.340 0.000 0.000 0.208 532 L C 2.166 178.978 176.870 -0.096 0.000 1.095 532 L CA 1.255 56.013 54.840 -0.137 0.000 0.770 532 L CB -0.582 41.420 42.059 -0.096 0.000 0.914 532 L HN 0.407 nan 8.230 nan 0.000 0.439 533 N N 0.243 118.881 118.700 -0.103 0.000 2.331 533 N HA -0.098 4.643 4.740 0.000 0.000 0.180 533 N C 1.679 177.148 175.510 -0.068 0.000 1.019 533 N CA 1.146 54.153 53.050 -0.071 0.000 0.881 533 N CB 0.128 38.574 38.487 -0.068 0.000 0.972 533 N HN 0.240 nan 8.380 nan 0.000 0.435 534 A N -0.951 121.815 122.820 -0.090 0.000 2.072 534 A HA 0.141 4.461 4.320 0.000 0.000 0.216 534 A C 1.113 178.660 177.584 -0.062 0.000 1.156 534 A CA 1.213 53.206 52.037 -0.073 0.000 0.701 534 A CB -0.427 18.521 19.000 -0.087 0.000 0.816 534 A HN 0.484 nan 8.150 nan 0.000 0.458 535 T N 0.000 114.511 114.554 -0.072 0.000 3.816 535 T HA 0.000 4.350 4.350 0.000 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 535 T CB 0.000 68.832 68.868 -0.060 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658