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 1h23_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 0.074 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.226 63.200 0.043 0.000 0.593 5 E N 2.386 122.633 120.200 0.079 0.000 2.204 5 E HA -0.051 4.298 4.350 -0.001 0.000 0.195 5 E C 1.081 177.794 176.600 0.189 0.000 0.990 5 E CA 1.342 57.815 56.400 0.120 0.000 0.821 5 E CB -0.117 29.642 29.700 0.098 0.000 0.750 5 E HN 0.723 nan 8.360 nan 0.000 0.477 6 L N 0.842 122.141 121.223 0.127 0.000 2.591 6 L HA 0.151 4.491 4.340 -0.001 0.000 0.228 6 L C 0.226 177.255 176.870 0.265 0.000 1.133 6 L CA -0.354 54.553 54.840 0.112 0.000 0.880 6 L CB 0.288 42.324 42.059 -0.038 0.000 1.033 6 L HN 0.136 nan 8.230 nan 0.000 0.450 7 L N 0.582 121.944 121.223 0.231 0.000 2.305 7 L HA 0.570 4.910 4.340 -0.001 0.000 0.284 7 L C -0.701 176.256 176.870 0.144 0.000 1.013 7 L CA -0.251 54.714 54.840 0.208 0.000 0.819 7 L CB 1.630 43.759 42.059 0.117 0.000 1.227 7 L HN -0.319 nan 8.230 nan 0.000 0.417 8 V N 4.794 124.772 119.914 0.106 0.000 2.709 8 V HA 0.507 4.626 4.120 -0.001 0.000 0.308 8 V C -0.506 175.504 176.094 -0.141 0.000 1.062 8 V CA -0.864 61.337 62.300 -0.165 0.000 0.901 8 V CB 2.085 33.501 31.823 -0.679 0.000 1.003 8 V HN 0.709 nan 8.190 nan 0.000 0.425 9 N N 2.629 121.190 118.700 -0.231 0.000 2.422 9 N HA 0.548 5.288 4.740 -0.001 0.000 0.266 9 N C -0.195 175.032 175.510 -0.472 0.000 1.007 9 N CA -0.005 52.885 53.050 -0.266 0.000 0.941 9 N CB 2.111 40.422 38.487 -0.293 0.000 1.115 9 N HN 0.945 nan 8.380 nan 0.000 0.492 10 T N -0.993 113.376 114.554 -0.308 0.000 2.910 10 T HA 0.390 4.740 4.350 -0.001 0.000 0.287 10 T C 1.020 175.512 174.700 -0.347 0.000 1.050 10 T CA -0.631 61.283 62.100 -0.310 0.000 1.011 10 T CB 1.604 70.531 68.868 0.098 0.000 1.195 10 T HN 0.251 nan 8.240 nan 0.000 0.540 11 K N 0.238 120.474 120.400 -0.273 0.000 2.442 11 K HA 0.055 4.375 4.320 -0.001 0.000 0.198 11 K C 1.898 178.366 176.600 -0.221 0.000 1.042 11 K CA 0.844 56.998 56.287 -0.221 0.000 0.958 11 K CB -0.052 32.368 32.500 -0.133 0.000 0.766 11 K HN 0.434 nan 8.250 nan 0.000 0.474 12 S N -0.310 115.255 115.700 -0.225 0.000 2.517 12 S HA 0.198 4.668 4.470 -0.001 0.000 0.214 12 S C 0.525 174.416 174.600 -1.182 0.000 0.991 12 S CA 0.264 58.184 58.200 -0.468 0.000 0.906 12 S CB 0.895 63.995 63.200 -0.166 0.000 0.789 12 S HN 0.547 nan 8.310 nan 0.000 0.513 13 G N 1.068 109.412 108.800 -0.761 0.000 2.359 13 G HA2 0.090 4.050 3.960 -0.001 0.000 0.303 13 G HA3 0.090 4.050 3.960 -0.001 0.000 0.303 13 G C -1.744 173.101 174.900 -0.091 0.000 1.293 13 G CA -1.177 43.477 45.100 -0.743 0.000 0.964 13 G HN 0.113 nan 8.290 nan 0.000 0.531 14 K N -0.896 119.629 120.400 0.208 0.000 2.185 14 K HA 0.616 4.936 4.320 -0.001 0.000 0.271 14 K C -0.492 176.471 176.600 0.605 0.000 1.013 14 K CA -0.509 55.968 56.287 0.317 0.000 0.943 14 K CB 2.057 34.697 32.500 0.234 0.000 0.998 14 K HN 0.575 nan 8.250 nan 0.000 0.468 15 V N 3.797 123.996 119.914 0.475 0.000 2.709 15 V HA 0.459 4.579 4.120 -0.001 0.000 0.308 15 V C -1.588 174.796 176.094 0.485 0.000 1.062 15 V CA -0.906 61.739 62.300 0.575 0.000 0.901 15 V CB 1.942 34.157 31.823 0.653 0.000 1.003 15 V HN 0.753 nan 8.190 nan 0.000 0.425 16 M N 5.957 125.807 119.600 0.418 0.000 2.181 16 M HA 0.789 5.269 4.480 -0.001 0.000 0.323 16 M C 0.127 176.533 176.300 0.177 0.000 1.004 16 M CA 0.176 55.645 55.300 0.282 0.000 0.941 16 M CB 1.230 33.919 32.600 0.149 0.000 1.579 16 M HN 0.728 nan 8.290 nan 0.000 0.427 17 G N 1.542 110.322 108.800 -0.034 0.000 2.509 17 G HA2 0.619 4.579 3.960 -0.001 0.000 0.269 17 G HA3 0.619 4.579 3.960 -0.001 0.000 0.269 17 G C -1.039 173.657 174.900 -0.340 0.000 1.416 17 G CA -0.322 44.459 45.100 -0.532 0.000 1.052 17 G HN 0.692 nan 8.290 nan 0.000 0.542 18 T N -1.597 112.716 114.554 -0.401 0.000 2.923 18 T HA 0.502 4.851 4.350 -0.001 0.000 0.311 18 T C -0.739 173.841 174.700 -0.200 0.000 1.183 18 T CA -0.694 61.268 62.100 -0.229 0.000 1.020 18 T CB 1.500 70.260 68.868 -0.179 0.000 1.165 18 T HN 0.596 nan 8.240 nan 0.000 0.482 19 R N 2.721 123.153 120.500 -0.114 0.000 2.308 19 R HA 0.655 4.994 4.340 -0.001 0.000 0.305 19 R C -0.524 175.777 176.300 0.002 0.000 1.053 19 R CA -0.489 55.581 56.100 -0.051 0.000 0.957 19 R CB 0.496 30.765 30.300 -0.052 0.000 1.022 19 R HN 0.534 nan 8.270 nan 0.000 0.461 20 V N 2.432 122.376 119.914 0.050 0.000 2.735 20 V HA 0.691 4.810 4.120 -0.001 0.000 0.310 20 V C -2.611 173.511 176.094 0.046 0.000 1.061 20 V CA -2.599 59.729 62.300 0.047 0.000 0.913 20 V CB 1.835 33.675 31.823 0.029 0.000 1.005 20 V HN 0.788 nan 8.190 nan 0.000 0.428 21 P HA 0.480 nan 4.420 nan 0.000 0.278 21 P C -0.993 176.141 177.300 -0.278 0.000 1.238 21 P CA -0.226 62.712 63.100 -0.269 0.000 0.794 21 P CB 1.698 33.261 31.700 -0.228 0.000 0.955 22 V N 3.029 122.701 119.914 -0.403 0.000 2.697 22 V HA 0.163 4.283 4.120 -0.001 0.000 0.300 22 V C 0.604 176.426 176.094 -0.453 0.000 1.115 22 V CA -0.992 61.058 62.300 -0.416 0.000 0.912 22 V CB 1.281 32.754 31.823 -0.583 0.000 1.024 22 V HN 0.481 nan 8.190 nan 0.000 0.431 23 L N 3.910 125.012 121.223 -0.202 0.000 3.854 23 L HA -0.277 4.062 4.340 -0.001 0.000 0.460 23 L C 1.236 177.992 176.870 -0.190 0.000 1.228 23 L CA 0.840 55.600 54.840 -0.133 0.000 0.760 23 L CB -1.446 40.581 42.059 -0.052 0.000 1.597 23 L HN 1.540 nan 8.230 nan 0.000 0.852 24 S N -3.124 112.452 115.700 -0.205 0.000 3.521 24 S HA -0.252 4.218 4.470 -0.001 0.000 0.328 24 S C 0.267 174.720 174.600 -0.244 0.000 1.165 24 S CA 1.374 59.456 58.200 -0.197 0.000 0.941 24 S CB -1.204 61.943 63.200 -0.088 0.000 0.951 24 S HN 0.974 nan 8.310 nan 0.000 0.539 25 S N -0.451 115.005 115.700 -0.408 0.000 3.081 25 S HA 0.887 5.357 4.470 -0.001 0.000 0.316 25 S C -1.077 173.186 174.600 -0.562 0.000 1.089 25 S CA -0.290 57.724 58.200 -0.310 0.000 0.897 25 S CB 1.143 64.219 63.200 -0.207 0.000 1.358 25 S HN 0.799 nan 8.310 nan 0.000 0.678 26 H N -0.569 118.427 119.070 -0.123 0.000 3.046 26 H HA 0.694 5.250 4.556 -0.001 0.000 0.361 26 H C -0.695 174.638 175.328 0.009 0.000 1.235 26 H CA -0.281 55.722 56.048 -0.074 0.000 1.146 26 H CB 1.333 31.079 29.762 -0.026 0.000 1.859 26 H HN 0.747 nan 8.280 nan 0.000 0.548 27 I N -2.202 118.465 120.570 0.162 0.000 3.354 27 I HA 0.775 4.944 4.170 -0.001 0.000 0.316 27 I C -0.989 175.222 176.117 0.157 0.000 1.182 27 I CA -0.997 60.420 61.300 0.195 0.000 0.942 27 I CB 2.491 40.637 38.000 0.244 0.000 1.299 27 I HN 0.405 nan 8.210 nan 0.000 0.473 28 S N 1.103 116.907 115.700 0.173 0.000 2.565 28 S HA 0.875 5.345 4.470 -0.001 0.000 0.290 28 S C -0.375 174.239 174.600 0.023 0.000 1.150 28 S CA -0.563 57.663 58.200 0.044 0.000 1.058 28 S CB 1.602 64.850 63.200 0.081 0.000 1.032 28 S HN 0.908 nan 8.310 nan 0.000 0.510 29 A N 1.753 124.419 122.820 -0.257 0.000 2.393 29 A HA 0.807 5.127 4.320 -0.001 0.000 0.306 29 A C -1.497 175.772 177.584 -0.526 0.000 1.050 29 A CA -0.640 51.177 52.037 -0.366 0.000 0.724 29 A CB 0.578 19.318 19.000 -0.433 0.000 1.248 29 A HN 0.636 nan 8.150 nan 0.000 0.424 30 F N 2.401 122.225 119.950 -0.209 0.000 2.430 30 F HA 0.505 5.031 4.527 -0.001 0.000 0.362 30 F C -0.219 175.480 175.800 -0.169 0.000 1.103 30 F CA -0.365 57.600 58.000 -0.059 0.000 1.045 30 F CB 1.424 40.497 39.000 0.121 0.000 1.276 30 F HN 0.356 nan 8.300 nan 0.000 0.444 31 L N 2.199 123.405 121.223 -0.029 0.000 2.325 31 L HA 0.721 5.060 4.340 -0.001 0.000 0.278 31 L C 0.893 177.811 176.870 0.081 0.000 1.023 31 L CA -1.094 53.717 54.840 -0.049 0.000 0.811 31 L CB 1.667 43.617 42.059 -0.182 0.000 1.249 31 L HN 0.828 nan 8.230 nan 0.000 0.431 32 G N 3.092 111.960 108.800 0.113 0.000 2.298 32 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.287 32 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.287 32 G C -0.165 174.844 174.900 0.181 0.000 1.075 32 G CA -0.299 44.875 45.100 0.123 0.000 0.960 32 G HN 0.478 nan 8.290 nan 0.000 0.502 33 I N 2.057 122.653 120.570 0.042 0.000 2.416 33 I HA 0.235 4.405 4.170 -0.001 0.000 0.288 33 I C -1.307 174.611 176.117 -0.332 0.000 1.051 33 I CA -2.147 58.992 61.300 -0.268 0.000 1.375 33 I CB 1.204 39.035 38.000 -0.283 0.000 1.407 33 I HN 0.036 nan 8.210 nan 0.000 0.516 34 P HA 0.081 nan 4.420 nan 0.000 0.279 34 P C -0.387 176.533 177.300 -0.633 0.000 1.239 34 P CA -0.018 62.582 63.100 -0.834 0.000 0.789 34 P CB 0.764 31.916 31.700 -0.913 0.000 0.933 35 F N -0.001 119.617 119.950 -0.554 0.000 2.798 35 F HA 0.748 5.275 4.527 -0.001 0.000 0.328 35 F C -0.043 175.644 175.800 -0.188 0.000 1.098 35 F CA -0.861 56.881 58.000 -0.431 0.000 1.172 35 F CB 0.010 38.738 39.000 -0.454 0.000 1.072 35 F HN 0.381 nan 8.300 nan 0.000 0.555 36 A N -0.031 122.450 122.820 -0.565 0.000 2.594 36 A HA 0.633 4.952 4.320 -0.001 0.000 0.291 36 A C -0.885 176.516 177.584 -0.304 0.000 1.105 36 A CA -0.764 51.087 52.037 -0.309 0.000 0.694 36 A CB 1.132 19.917 19.000 -0.359 0.000 1.291 36 A HN 0.055 nan 8.150 nan 0.000 0.410 37 E N 0.652 120.762 120.200 -0.151 0.000 2.373 37 E HA 0.315 4.664 4.350 -0.001 0.000 0.263 37 E C -2.351 174.155 176.600 -0.156 0.000 1.073 37 E CA -1.430 54.902 56.400 -0.112 0.000 0.894 37 E CB 0.198 29.875 29.700 -0.038 0.000 1.008 37 E HN 0.244 nan 8.360 nan 0.000 0.420 38 P HA 0.023 nan 4.420 nan 0.000 0.263 38 P C -2.227 175.019 177.300 -0.090 0.000 1.195 38 P CA -0.684 62.348 63.100 -0.114 0.000 0.762 38 P CB 0.065 31.735 31.700 -0.049 0.000 0.799 39 P HA 0.035 nan 4.420 nan 0.000 0.214 39 P C -0.392 176.855 177.300 -0.087 0.000 1.826 39 P CA -0.031 63.021 63.100 -0.081 0.000 0.977 39 P CB -0.005 31.650 31.700 -0.074 0.000 1.930 40 V N -2.160 117.709 119.914 -0.074 0.000 2.975 40 V HA 0.890 5.010 4.120 -0.001 0.000 0.318 40 V C 0.979 177.034 176.094 -0.066 0.000 1.077 40 V CA 0.183 62.439 62.300 -0.075 0.000 1.000 40 V CB 0.733 32.522 31.823 -0.056 0.000 1.066 40 V HN 0.570 nan 8.190 nan 0.000 0.452 41 G N 2.428 111.187 108.800 -0.069 0.000 2.622 41 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.307 41 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.307 41 G C 0.531 175.394 174.900 -0.062 0.000 1.226 41 G CA 1.065 46.131 45.100 -0.057 0.000 0.997 41 G HN 1.121 nan 8.290 nan 0.000 0.551 42 N N 0.765 119.448 118.700 -0.029 0.000 2.609 42 N HA 0.116 4.856 4.740 -0.001 0.000 0.190 42 N C 2.123 177.626 175.510 -0.011 0.000 1.157 42 N CA 1.078 54.124 53.050 -0.008 0.000 0.918 42 N CB -0.064 38.434 38.487 0.019 0.000 0.978 42 N HN 0.432 nan 8.380 nan 0.000 0.448 43 M N -0.573 119.005 119.600 -0.036 0.000 2.509 43 M HA 0.080 4.559 4.480 -0.001 0.000 0.250 43 M C 0.538 176.793 176.300 -0.074 0.000 1.132 43 M CA 0.027 55.307 55.300 -0.034 0.000 1.080 43 M CB -0.199 32.380 32.600 -0.035 0.000 1.408 43 M HN 0.060 nan 8.290 nan 0.000 0.484 44 R N 0.877 121.277 120.500 -0.165 0.000 2.502 44 R HA -0.049 4.291 4.340 -0.001 0.000 0.292 44 R C -0.424 175.639 176.300 -0.395 0.000 0.998 44 R CA 0.666 56.531 56.100 -0.391 0.000 1.056 44 R CB 0.091 30.020 30.300 -0.620 0.000 0.939 44 R HN 0.206 nan 8.270 nan 0.000 0.411 45 F N -0.313 119.633 119.950 -0.006 0.000 2.502 45 F HA -0.266 4.260 4.527 -0.001 0.000 0.480 45 F C 0.472 176.250 175.800 -0.037 0.000 0.543 45 F CA 0.756 58.728 58.000 -0.047 0.000 1.350 45 F CB -1.387 37.571 39.000 -0.069 0.000 1.999 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.490 122.059 120.500 0.115 0.000 2.528 46 R HA 0.514 4.853 4.340 -0.001 0.000 0.271 46 R C 0.676 177.003 176.300 0.045 0.000 1.056 46 R CA -0.898 55.246 56.100 0.074 0.000 1.117 46 R CB 0.660 30.990 30.300 0.049 0.000 1.085 46 R HN 0.096 nan 8.270 nan 0.000 0.530 47 R N 1.986 122.511 120.500 0.043 0.000 2.758 47 R HA 0.026 4.366 4.340 -0.001 0.000 0.263 47 R C -1.887 174.437 176.300 0.039 0.000 1.010 47 R CA -0.842 55.283 56.100 0.042 0.000 1.114 47 R CB -0.271 30.059 30.300 0.051 0.000 0.985 47 R HN 0.414 nan 8.270 nan 0.000 0.439 48 P HA 0.086 nan 4.420 nan 0.000 0.274 48 P C -0.876 176.455 177.300 0.052 0.000 1.231 48 P CA -0.049 63.079 63.100 0.046 0.000 0.790 48 P CB 0.885 32.638 31.700 0.088 0.000 0.951 49 E N 1.936 122.156 120.200 0.033 0.000 2.195 49 E HA 0.385 4.735 4.350 -0.001 0.000 0.271 49 E C -2.235 174.395 176.600 0.050 0.000 0.923 49 E CA -2.429 53.996 56.400 0.041 0.000 0.790 49 E CB 0.925 30.641 29.700 0.026 0.000 1.155 49 E HN 0.367 nan 8.360 nan 0.000 0.402 50 P HA 0.007 nan 4.420 nan 0.000 0.269 50 P C -0.164 177.185 177.300 0.081 0.000 1.209 50 P CA -0.314 62.853 63.100 0.111 0.000 0.776 50 P CB 0.614 32.391 31.700 0.128 0.000 0.876 51 K N 2.462 122.914 120.400 0.086 0.000 2.412 51 K HA 0.072 4.392 4.320 -0.001 0.000 0.281 51 K C -0.224 176.458 176.600 0.136 0.000 1.027 51 K CA 0.069 56.401 56.287 0.076 0.000 0.989 51 K CB 0.051 32.591 32.500 0.066 0.000 0.935 51 K HN 0.062 nan 8.250 nan 0.000 0.475 52 K N 5.826 126.308 120.400 0.136 0.000 2.401 52 K HA 0.174 4.494 4.320 -0.001 0.000 0.278 52 K C -2.246 174.460 176.600 0.176 0.000 1.018 52 K CA -1.330 55.035 56.287 0.130 0.000 0.981 52 K CB 0.226 32.798 32.500 0.120 0.000 0.933 52 K HN 0.683 nan 8.250 nan 0.000 0.477 53 P HA 0.130 nan 4.420 nan 0.000 0.268 53 P C -0.837 176.492 177.300 0.049 0.000 1.208 53 P CA -0.180 62.844 63.100 -0.127 0.000 0.777 53 P CB 0.293 31.884 31.700 -0.182 0.000 0.875 54 W N 0.805 122.184 121.300 0.132 0.000 2.781 54 W HA 0.690 5.350 4.660 -0.001 0.000 0.345 54 W C -0.658 175.936 176.519 0.124 0.000 1.085 54 W CA -0.944 56.492 57.345 0.152 0.000 1.198 54 W CB 0.141 29.755 29.460 0.257 0.000 1.423 54 W HN 0.365 nan 8.180 nan 0.000 0.532 55 S N 1.832 117.709 115.700 0.295 0.000 2.713 55 S HA 0.889 5.358 4.470 -0.001 0.000 0.283 55 S C 0.440 175.233 174.600 0.321 0.000 1.161 55 S CA 0.016 58.333 58.200 0.194 0.000 0.999 55 S CB 0.927 64.198 63.200 0.118 0.000 1.039 55 S HN 2.193 nan 8.310 nan 0.000 0.548 56 G N -0.604 108.335 108.800 0.232 0.000 2.725 56 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.220 56 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.220 56 G C -0.932 174.165 174.900 0.329 0.000 1.357 56 G CA -0.444 44.791 45.100 0.224 0.000 0.866 56 G HN 1.579 nan 8.290 nan 0.000 0.548 57 V N 0.771 120.821 119.914 0.227 0.000 2.398 57 V HA 0.522 4.642 4.120 -0.001 0.000 0.286 57 V C 0.292 176.484 176.094 0.163 0.000 1.026 57 V CA -0.573 61.881 62.300 0.256 0.000 0.868 57 V CB 1.804 33.720 31.823 0.156 0.000 0.982 57 V HN 0.727 nan 8.190 nan 0.000 0.443 58 W N 5.770 127.132 121.300 0.105 0.000 2.345 58 W HA 0.224 4.884 4.660 -0.001 0.000 0.308 58 W C 0.229 176.730 176.519 -0.031 0.000 1.273 58 W CA -0.425 56.823 57.345 -0.163 0.000 1.243 58 W CB 0.875 30.081 29.460 -0.423 0.000 1.260 58 W HN 0.646 nan 8.180 nan 0.000 0.509 59 N N 4.681 123.152 118.700 -0.382 0.000 2.405 59 N HA 0.167 4.906 4.740 -0.001 0.000 0.260 59 N C -0.595 174.931 175.510 0.026 0.000 1.152 59 N CA 0.301 53.261 53.050 -0.149 0.000 0.948 59 N CB 1.061 39.410 38.487 -0.231 0.000 1.111 59 N HN 0.407 nan 8.380 nan 0.000 0.485 60 A N 2.966 125.901 122.820 0.192 0.000 3.154 60 A HA 0.201 4.520 4.320 -0.001 0.000 0.310 60 A C 0.987 178.590 177.584 0.032 0.000 1.093 60 A CA -0.465 51.710 52.037 0.230 0.000 1.006 60 A CB -0.425 18.803 19.000 0.379 0.000 1.084 60 A HN 0.663 nan 8.150 nan 0.000 0.549 61 S N -0.925 114.754 115.700 -0.036 0.000 2.524 61 S HA 0.165 4.634 4.470 -0.001 0.000 0.215 61 S C 0.748 175.267 174.600 -0.135 0.000 0.986 61 S CA 0.626 58.762 58.200 -0.108 0.000 0.911 61 S CB -0.214 62.927 63.200 -0.098 0.000 0.805 61 S HN 0.868 nan 8.310 nan 0.000 0.501 62 T N -0.794 113.700 114.554 -0.100 0.000 2.900 62 T HA 0.631 4.981 4.350 -0.001 0.000 0.295 62 T C -0.854 173.825 174.700 -0.035 0.000 1.044 62 T CA -0.747 61.290 62.100 -0.105 0.000 0.995 62 T CB 0.735 69.560 68.868 -0.072 0.000 1.072 62 T HN 0.063 nan 8.240 nan 0.000 0.473 63 Y N 3.144 123.416 120.300 -0.046 0.000 2.683 63 Y HA 0.281 4.831 4.550 -0.001 0.000 0.340 63 Y C -1.335 174.508 175.900 -0.096 0.000 1.245 63 Y CA -1.299 56.776 58.100 -0.042 0.000 1.485 63 Y CB 0.033 38.491 38.460 -0.003 0.000 1.328 63 Y HN 0.548 nan 8.280 nan 0.000 0.603 64 P HA 0.089 nan 4.420 nan 0.000 0.279 64 P C -0.647 176.578 177.300 -0.124 0.000 1.276 64 P CA -0.532 62.446 63.100 -0.202 0.000 0.801 64 P CB 0.919 32.425 31.700 -0.323 0.000 1.127 65 N N 0.374 118.970 118.700 -0.173 0.000 2.371 65 N HA 0.095 4.835 4.740 -0.001 0.000 0.243 65 N C 0.087 175.570 175.510 -0.044 0.000 1.287 65 N CA 0.229 53.225 53.050 -0.089 0.000 0.911 65 N CB -0.125 38.318 38.487 -0.073 0.000 1.142 65 N HN 0.426 nan 8.380 nan 0.000 0.451 66 N N -0.751 117.913 118.700 -0.060 0.000 2.489 66 N HA 0.301 5.041 4.740 -0.001 0.000 0.284 66 N C -0.373 175.096 175.510 -0.067 0.000 1.158 66 N CA -0.697 52.313 53.050 -0.067 0.000 0.965 66 N CB 1.022 39.441 38.487 -0.114 0.000 1.195 66 N HN 0.406 nan 8.380 nan 0.000 0.506 67 c N 1.077 119.638 118.600 -0.065 0.000 2.700 67 c HA 0.043 4.613 4.570 -0.001 0.000 0.397 67 c C 0.645 174.642 174.090 -0.155 0.000 1.301 67 c CA -0.559 55.710 56.329 -0.100 0.000 2.219 67 c CB -0.065 42.413 42.510 -0.054 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.445 122.070 119.800 -0.292 0.000 2.274 68 Q HA 0.230 4.569 4.340 -0.001 0.000 0.280 68 Q C -0.043 175.891 176.000 -0.109 0.000 1.047 68 Q CA 0.910 56.524 55.803 -0.315 0.000 0.907 68 Q CB 0.533 28.839 28.738 -0.719 0.000 1.171 68 Q HN 0.878 nan 8.270 nan 0.000 0.381 69 Q N 1.386 121.210 119.800 0.040 0.000 2.630 69 Q HA 0.299 4.639 4.340 -0.001 0.000 0.295 69 Q C -1.255 174.903 176.000 0.264 0.000 0.944 69 Q CA -1.017 54.906 55.803 0.199 0.000 0.766 69 Q CB 0.748 29.561 28.738 0.124 0.000 1.471 69 Q HN 0.469 nan 8.270 nan 0.000 0.416 70 Y N 0.945 121.419 120.300 0.289 0.000 2.597 70 Y HA 0.318 4.867 4.550 -0.001 0.000 0.336 70 Y C -0.999 175.048 175.900 0.246 0.000 1.216 70 Y CA 0.448 58.742 58.100 0.324 0.000 1.463 70 Y CB 0.840 39.609 38.460 0.514 0.000 1.303 70 Y HN 0.434 nan 8.280 nan 0.000 0.576 71 V N 6.706 126.344 119.914 -0.459 0.000 2.448 71 V HA 0.133 4.253 4.120 -0.001 0.000 0.295 71 V C -0.631 175.172 176.094 -0.484 0.000 1.025 71 V CA -1.055 61.076 62.300 -0.282 0.000 0.859 71 V CB 1.537 33.261 31.823 -0.165 0.000 0.988 71 V HN 0.760 nan 8.190 nan 0.000 0.431 72 D N 4.312 124.676 120.400 -0.059 0.000 2.371 72 D HA 0.117 4.757 4.640 -0.001 0.000 0.256 72 D C 0.748 177.096 176.300 0.080 0.000 1.193 72 D CA -0.015 54.064 54.000 0.132 0.000 0.881 72 D CB 0.930 41.942 40.800 0.354 0.000 1.143 72 D HN 0.820 nan 8.370 nan 0.000 0.473 73 E N 2.356 122.574 120.200 0.031 0.000 2.887 73 E HA 0.010 4.359 4.350 -0.001 0.000 0.206 73 E C 0.841 177.421 176.600 -0.034 0.000 0.983 73 E CA -0.346 56.064 56.400 0.017 0.000 1.141 73 E CB 0.280 29.963 29.700 -0.029 0.000 1.061 73 E HN 0.215 nan 8.360 nan 0.000 0.468 74 Q N 0.694 120.448 119.800 -0.076 0.000 2.124 74 Q HA -0.045 4.294 4.340 -0.001 0.000 0.202 74 Q C -0.353 175.192 176.000 -0.757 0.000 0.977 74 Q CA 1.459 56.967 55.803 -0.491 0.000 0.850 74 Q CB 0.055 28.351 28.738 -0.737 0.000 0.901 74 Q HN 0.360 nan 8.270 nan 0.000 0.429 75 F N 0.386 120.411 119.950 0.125 0.000 2.550 75 F HA 0.419 4.946 4.527 -0.001 0.000 0.348 75 F C -2.225 173.645 175.800 0.117 0.000 1.219 75 F CA -3.071 54.972 58.000 0.072 0.000 1.203 75 F CB 1.031 40.052 39.000 0.036 0.000 1.436 75 F HN -0.135 nan 8.300 nan 0.000 0.541 76 P HA 0.108 nan 4.420 nan 0.000 0.258 76 P C 1.033 178.417 177.300 0.140 0.000 1.172 76 P CA 1.382 64.555 63.100 0.123 0.000 0.762 76 P CB 0.528 32.266 31.700 0.063 0.000 0.764 77 G N 2.822 111.696 108.800 0.123 0.000 2.205 77 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.261 77 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.261 77 G C 0.092 175.068 174.900 0.127 0.000 0.980 77 G CA -0.376 44.780 45.100 0.092 0.000 0.632 77 G HN 0.543 nan 8.290 nan 0.000 0.533 78 F N 3.199 123.151 119.950 0.004 0.000 2.504 78 F HA 0.483 5.010 4.527 -0.001 0.000 0.369 78 F C 1.705 177.431 175.800 -0.123 0.000 1.082 78 F CA 0.063 58.008 58.000 -0.093 0.000 1.216 78 F CB 1.066 39.999 39.000 -0.110 0.000 1.108 78 F HN 0.248 nan 8.300 nan 0.000 0.554 79 S N 3.415 118.714 115.700 -0.669 0.000 2.402 79 S HA -0.089 4.381 4.470 -0.001 0.000 0.229 79 S C 2.217 176.382 174.600 -0.724 0.000 1.021 79 S CA 0.799 58.646 58.200 -0.588 0.000 0.974 79 S CB -1.225 61.680 63.200 -0.491 0.000 0.800 79 S HN 0.841 nan 8.310 nan 0.000 0.484 80 G N 1.944 109.823 108.800 -1.536 0.000 2.469 80 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.220 80 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.220 80 G C 1.739 176.787 174.900 0.246 0.000 1.136 80 G CA 1.435 45.918 45.100 -1.028 0.000 0.759 80 G HN 0.782 nan 8.290 nan 0.000 0.562 81 S N -0.114 115.810 115.700 0.373 0.000 2.441 81 S HA 0.119 4.589 4.470 -0.001 0.000 0.224 81 S C 1.882 176.769 174.600 0.479 0.000 1.043 81 S CA 0.918 59.641 58.200 0.872 0.000 0.948 81 S CB -0.038 63.793 63.200 1.051 0.000 0.810 81 S HN 0.421 nan 8.310 nan 0.000 0.504 82 E N 1.759 122.081 120.200 0.202 0.000 2.268 82 E HA -0.015 4.335 4.350 -0.001 0.000 0.195 82 E C 2.031 178.584 176.600 -0.078 0.000 0.995 82 E CA 1.059 57.501 56.400 0.071 0.000 0.836 82 E CB -0.371 29.344 29.700 0.025 0.000 0.763 82 E HN 0.807 nan 8.360 nan 0.000 0.491 83 M N -1.755 117.705 119.600 -0.232 0.000 2.549 83 M HA -0.071 4.408 4.480 -0.001 0.000 0.260 83 M C 0.768 176.679 176.300 -0.649 0.000 1.076 83 M CA 1.296 56.296 55.300 -0.500 0.000 1.090 83 M CB -0.249 31.930 32.600 -0.701 0.000 1.418 83 M HN 0.051 nan 8.290 nan 0.000 0.486 84 W N 0.771 122.038 121.300 -0.054 0.000 3.177 84 W HA 0.305 4.965 4.660 -0.001 0.000 0.309 84 W C 0.391 176.838 176.519 -0.121 0.000 1.224 84 W CA -0.917 56.357 57.345 -0.117 0.000 1.718 84 W CB 0.023 29.453 29.460 -0.049 0.000 1.078 84 W HN 0.096 nan 8.180 nan 0.000 0.618 85 N N 1.499 120.245 118.700 0.076 0.000 2.483 85 N HA 0.165 4.904 4.740 -0.001 0.000 0.269 85 N C -2.461 173.013 175.510 -0.058 0.000 1.209 85 N CA -1.515 51.552 53.050 0.028 0.000 0.969 85 N CB 0.100 38.609 38.487 0.037 0.000 1.173 85 N HN -0.362 nan 8.380 nan 0.000 0.475 86 P HA 0.048 nan 4.420 nan 0.000 0.265 86 P C 0.155 177.399 177.300 -0.094 0.000 1.193 86 P CA 0.086 63.124 63.100 -0.104 0.000 0.765 86 P CB 0.314 31.962 31.700 -0.087 0.000 0.823 87 N N 2.036 120.667 118.700 -0.114 0.000 2.200 87 N HA 0.088 4.828 4.740 -0.001 0.000 0.224 87 N C 0.126 175.594 175.510 -0.071 0.000 1.179 87 N CA -0.037 52.958 53.050 -0.092 0.000 0.877 87 N CB 0.435 38.858 38.487 -0.108 0.000 1.072 87 N HN 0.177 nan 8.380 nan 0.000 0.519 88 R N 0.100 120.554 120.500 -0.077 0.000 2.888 88 R HA 0.297 4.636 4.340 -0.001 0.000 0.264 88 R C -0.469 175.796 176.300 -0.059 0.000 1.045 88 R CA -0.655 55.411 56.100 -0.057 0.000 0.962 88 R CB 1.348 31.609 30.300 -0.064 0.000 1.210 88 R HN 0.222 nan 8.270 nan 0.000 0.479 89 E N 1.681 121.849 120.200 -0.052 0.000 2.413 89 E HA 0.038 4.388 4.350 -0.001 0.000 0.263 89 E C -0.408 176.154 176.600 -0.063 0.000 1.015 89 E CA 0.186 56.554 56.400 -0.053 0.000 0.916 89 E CB 0.652 30.323 29.700 -0.050 0.000 0.947 89 E HN 0.256 nan 8.360 nan 0.000 0.440 90 M N 2.264 121.825 119.600 -0.066 0.000 2.274 90 M HA 0.180 4.660 4.480 -0.001 0.000 0.344 90 M C -0.005 176.241 176.300 -0.089 0.000 1.161 90 M CA 0.081 55.331 55.300 -0.082 0.000 1.126 90 M CB 1.567 34.116 32.600 -0.085 0.000 1.522 90 M HN 0.336 nan 8.290 nan 0.000 0.461 91 S N 0.589 116.226 115.700 -0.105 0.000 2.537 91 S HA 0.240 4.710 4.470 -0.001 0.000 0.271 91 S C 0.096 174.608 174.600 -0.147 0.000 1.148 91 S CA -0.700 57.436 58.200 -0.106 0.000 0.868 91 S CB 1.464 64.628 63.200 -0.059 0.000 1.115 91 S HN 0.826 nan 8.310 nan 0.000 0.461 92 E N 1.023 121.114 120.200 -0.182 0.000 2.338 92 E HA -0.081 4.268 4.350 -0.001 0.000 0.197 92 E C -0.267 176.267 176.600 -0.111 0.000 1.007 92 E CA 0.520 56.791 56.400 -0.215 0.000 0.849 92 E CB 0.086 29.658 29.700 -0.214 0.000 0.774 92 E HN 0.529 nan 8.360 nan 0.000 0.506 93 D N 0.503 120.873 120.400 -0.051 0.000 2.470 93 D HA -0.008 4.631 4.640 -0.001 0.000 0.226 93 D C 0.021 176.403 176.300 0.136 0.000 1.196 93 D CA -0.274 53.740 54.000 0.024 0.000 0.979 93 D CB -0.027 40.808 40.800 0.059 0.000 1.059 93 D HN 0.143 nan 8.370 nan 0.000 0.515 94 c N 2.509 121.162 118.600 0.087 0.000 3.722 94 c HA 0.373 4.942 4.570 -0.001 0.000 0.279 94 c C 0.580 174.739 174.090 0.116 0.000 1.819 94 c CA -0.702 55.746 56.329 0.199 0.000 1.744 94 c CB -1.280 41.267 42.510 0.063 0.000 3.247 94 c HN 0.427 nan 8.230 nan 0.000 0.549 95 L N 2.630 123.658 121.223 -0.325 0.000 2.404 95 L HA 0.412 4.752 4.340 -0.001 0.000 0.277 95 L C -0.877 175.226 176.870 -1.278 0.000 1.184 95 L CA 0.574 54.976 54.840 -0.729 0.000 1.013 95 L CB -0.614 40.907 42.059 -0.897 0.000 1.318 95 L HN 0.380 nan 8.230 nan 0.000 0.435 96 Y N 2.117 122.285 120.300 -0.219 0.000 2.609 96 Y HA 0.662 5.212 4.550 -0.001 0.000 0.342 96 Y C -0.142 175.910 175.900 0.253 0.000 1.058 96 Y CA -1.262 56.798 58.100 -0.066 0.000 1.055 96 Y CB 1.920 40.347 38.460 -0.055 0.000 1.292 96 Y HN 0.204 nan 8.280 nan 0.000 0.476 97 L N -0.179 121.218 121.223 0.290 0.000 2.309 97 L HA 0.778 5.117 4.340 -0.001 0.000 0.261 97 L C -1.244 175.688 176.870 0.103 0.000 1.021 97 L CA -1.130 53.823 54.840 0.189 0.000 0.823 97 L CB 1.742 43.827 42.059 0.042 0.000 1.366 97 L HN 0.451 nan 8.230 nan 0.000 0.423 98 N N 1.438 120.202 118.700 0.105 0.000 2.269 98 N HA 0.715 5.455 4.740 -0.001 0.000 0.304 98 N C -1.309 174.148 175.510 -0.087 0.000 1.072 98 N CA -0.250 52.779 53.050 -0.036 0.000 0.802 98 N CB 2.732 41.198 38.487 -0.035 0.000 1.348 98 N HN 0.651 nan 8.380 nan 0.000 0.484 99 I N 0.314 120.754 120.570 -0.217 0.000 2.498 99 I HA 0.410 4.579 4.170 -0.001 0.000 0.290 99 I C -0.730 175.352 176.117 -0.058 0.000 1.032 99 I CA -0.725 60.537 61.300 -0.064 0.000 1.073 99 I CB 2.227 40.123 38.000 -0.174 0.000 1.251 99 I HN 0.232 nan 8.210 nan 0.000 0.426 100 W N 5.632 127.068 121.300 0.226 0.000 2.475 100 W HA 0.574 5.234 4.660 -0.001 0.000 0.317 100 W C -1.038 175.621 176.519 0.234 0.000 1.046 100 W CA -0.666 56.812 57.345 0.221 0.000 1.215 100 W CB 2.256 31.815 29.460 0.164 0.000 1.335 100 W HN 0.100 nan 8.180 nan 0.000 0.471 101 V N 5.061 125.255 119.914 0.467 0.000 2.444 101 V HA 0.255 4.375 4.120 -0.001 0.000 0.294 101 V C -1.994 174.298 176.094 0.329 0.000 1.022 101 V CA -2.342 60.195 62.300 0.395 0.000 0.850 101 V CB 1.820 33.940 31.823 0.495 0.000 0.992 101 V HN 0.262 nan 8.190 nan 0.000 0.426 102 P HA 0.044 nan 4.420 nan 0.000 0.267 102 P C -0.449 176.981 177.300 0.217 0.000 1.201 102 P CA 0.395 63.632 63.100 0.228 0.000 0.775 102 P CB 0.481 32.278 31.700 0.161 0.000 0.854 103 S N 1.790 117.616 115.700 0.209 0.000 2.519 103 S HA 0.546 5.015 4.470 -0.001 0.000 0.309 103 S C -2.407 172.281 174.600 0.146 0.000 1.100 103 S CA -1.565 56.740 58.200 0.174 0.000 1.059 103 S CB 0.104 63.405 63.200 0.169 0.000 1.008 103 S HN 0.259 nan 8.310 nan 0.000 0.478 104 P HA 0.186 nan 4.420 nan 0.000 0.272 104 P C -0.522 176.850 177.300 0.121 0.000 1.223 104 P CA -0.587 62.577 63.100 0.107 0.000 0.784 104 P CB 0.404 32.152 31.700 0.080 0.000 0.923 105 R N 2.720 123.299 120.500 0.133 0.000 2.485 105 R HA 0.047 4.386 4.340 -0.001 0.000 0.304 105 R C -1.837 174.530 176.300 0.111 0.000 0.934 105 R CA -0.807 55.381 56.100 0.147 0.000 1.102 105 R CB -0.469 29.917 30.300 0.144 0.000 0.906 105 R HN 0.372 nan 8.270 nan 0.000 0.407 106 P HA 0.036 nan 4.420 nan 0.000 0.271 106 P C -0.263 177.075 177.300 0.064 0.000 1.244 106 P CA -0.276 62.873 63.100 0.081 0.000 0.793 106 P CB 0.660 32.411 31.700 0.085 0.000 0.984 107 K N -0.741 119.684 120.400 0.041 0.000 2.214 107 K HA 0.159 4.479 4.320 -0.001 0.000 0.201 107 K C 0.506 177.110 176.600 0.007 0.000 1.049 107 K CA 0.864 57.165 56.287 0.023 0.000 0.978 107 K CB -0.123 32.387 32.500 0.016 0.000 0.842 107 K HN 0.345 nan 8.250 nan 0.000 0.474 108 S N 0.926 116.631 115.700 0.010 0.000 2.479 108 S HA 0.178 4.647 4.470 -0.001 0.000 0.169 108 S C -1.246 173.358 174.600 0.007 0.000 1.181 108 S CA -0.357 57.840 58.200 -0.004 0.000 1.169 108 S CB 0.464 63.653 63.200 -0.018 0.000 1.384 108 S HN 0.125 nan 8.310 nan 0.000 0.412 109 T N 2.118 116.686 114.554 0.022 0.000 2.932 109 T HA 0.582 4.932 4.350 -0.001 0.000 0.289 109 T C 0.015 174.731 174.700 0.027 0.000 1.039 109 T CA -0.105 62.011 62.100 0.027 0.000 1.024 109 T CB 1.278 70.173 68.868 0.044 0.000 1.090 109 T HN 0.437 nan 8.240 nan 0.000 0.496 110 T N 2.606 117.171 114.554 0.018 0.000 2.933 110 T HA 0.250 4.599 4.350 -0.001 0.000 0.306 110 T C -0.159 174.565 174.700 0.040 0.000 1.045 110 T CA -0.078 62.030 62.100 0.014 0.000 1.143 110 T CB 0.077 68.941 68.868 -0.007 0.000 1.003 110 T HN 0.410 nan 8.240 nan 0.000 0.540 111 V N 5.285 125.230 119.914 0.052 0.000 2.513 111 V HA 0.499 4.618 4.120 -0.001 0.000 0.299 111 V C 0.051 176.207 176.094 0.104 0.000 1.035 111 V CA -0.758 61.596 62.300 0.089 0.000 0.889 111 V CB 1.647 33.526 31.823 0.093 0.000 0.988 111 V HN 0.831 nan 8.190 nan 0.000 0.440 112 M N 4.528 124.215 119.600 0.146 0.000 2.321 112 M HA 0.602 5.082 4.480 -0.001 0.000 0.315 112 M C -1.347 175.206 176.300 0.422 0.000 1.052 112 M CA -0.685 54.731 55.300 0.193 0.000 0.936 112 M CB 2.295 34.879 32.600 -0.026 0.000 1.639 112 M HN 0.354 nan 8.290 nan 0.000 0.433 113 V N 2.869 123.091 119.914 0.513 0.000 2.376 113 V HA 0.331 4.450 4.120 -0.001 0.000 0.287 113 V C -0.931 175.449 176.094 0.477 0.000 1.015 113 V CA -0.655 61.903 62.300 0.428 0.000 0.834 113 V CB 1.650 33.595 31.823 0.204 0.000 1.001 113 V HN 0.881 nan 8.190 nan 0.000 0.428 114 W N 6.958 128.328 121.300 0.116 0.000 2.316 114 W HA 0.622 5.282 4.660 -0.001 0.000 0.311 114 W C -1.264 175.127 176.519 -0.212 0.000 1.217 114 W CA -0.678 56.470 57.345 -0.328 0.000 1.199 114 W CB 1.132 30.429 29.460 -0.271 0.000 1.202 114 W HN 0.447 nan 8.180 nan 0.000 0.528 115 I N 9.196 129.252 120.570 -0.858 0.000 2.382 115 I HA 0.068 4.238 4.170 -0.001 0.000 0.285 115 I C -0.089 175.374 176.117 -1.089 0.000 1.007 115 I CA -1.114 59.735 61.300 -0.752 0.000 1.142 115 I CB 0.633 38.341 38.000 -0.487 0.000 1.289 115 I HN 0.309 nan 8.210 nan 0.000 0.453 116 Y N 4.050 123.965 120.300 -0.642 0.000 2.385 116 Y HA 0.564 5.114 4.550 -0.001 0.000 0.346 116 Y C 0.839 176.573 175.900 -0.277 0.000 1.270 116 Y CA -1.492 56.302 58.100 -0.510 0.000 1.472 116 Y CB 0.230 38.633 38.460 -0.095 0.000 1.354 116 Y HN 0.571 nan 8.280 nan 0.000 0.611 117 G N 0.109 108.923 108.800 0.023 0.000 4.876 117 G HA2 0.369 4.328 3.960 -0.001 0.000 0.219 117 G HA3 0.369 4.328 3.960 -0.001 0.000 0.219 117 G C -0.090 174.627 174.900 -0.305 0.000 0.877 117 G CA -0.216 44.793 45.100 -0.151 0.000 0.718 117 G HN 1.142 nan 8.290 nan 0.000 0.518 118 G N 0.322 108.918 108.800 -0.342 0.000 2.916 118 G HA2 0.494 4.454 3.960 -0.001 0.000 0.280 118 G HA3 0.494 4.454 3.960 -0.001 0.000 0.280 118 G C 1.309 175.645 174.900 -0.940 0.000 0.758 118 G CA 0.405 45.120 45.100 -0.641 0.000 1.993 118 G HN 1.484 nan 8.290 nan 0.000 0.564 119 G N 1.365 109.631 108.800 -0.890 0.000 2.296 119 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.282 119 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.282 119 G C 0.791 175.439 174.900 -0.420 0.000 1.014 119 G CA 0.456 44.889 45.100 -1.112 0.000 0.812 119 G HN 1.258 nan 8.290 nan 0.000 0.508 120 F N -3.622 116.219 119.950 -0.181 0.000 2.825 120 F HA -0.336 4.190 4.527 -0.001 0.000 0.358 120 F C 1.538 177.402 175.800 0.107 0.000 0.639 120 F CA 2.255 60.253 58.000 -0.004 0.000 1.153 120 F CB -2.043 36.835 39.000 -0.203 0.000 1.610 120 F HN 0.863 nan 8.300 nan 0.000 0.305 121 Y N -0.874 119.475 120.300 0.082 0.000 2.445 121 Y HA 0.652 5.201 4.550 -0.001 0.000 0.247 121 Y C 0.649 176.619 175.900 0.117 0.000 1.129 121 Y CA 0.238 58.414 58.100 0.127 0.000 1.251 121 Y CB 0.039 38.504 38.460 0.009 0.000 1.176 121 Y HN 0.107 nan 8.280 nan 0.000 0.522 122 S N -0.617 114.764 115.700 -0.531 0.000 2.656 122 S HA 0.891 5.361 4.470 -0.001 0.000 0.273 122 S C -0.329 174.042 174.600 -0.382 0.000 1.168 122 S CA -0.423 57.556 58.200 -0.367 0.000 0.817 122 S CB 1.485 64.445 63.200 -0.400 0.000 1.146 122 S HN 1.294 nan 8.310 nan 0.000 0.475 123 G N -0.110 108.433 108.800 -0.428 0.000 2.379 123 G HA2 0.435 4.394 3.960 -0.001 0.000 0.609 123 G HA3 0.435 4.394 3.960 -0.001 0.000 0.609 123 G C -1.094 173.054 174.900 -1.253 0.000 1.484 123 G CA -0.309 44.336 45.100 -0.758 0.000 0.921 123 G HN 1.296 nan 8.290 nan 0.000 0.658 124 S N -0.836 114.255 115.700 -1.015 0.000 2.541 124 S HA 0.697 5.166 4.470 -0.001 0.000 0.271 124 S C 0.900 175.442 174.600 -0.098 0.000 1.133 124 S CA 0.053 57.904 58.200 -0.583 0.000 0.876 124 S CB 1.829 64.857 63.200 -0.286 0.000 1.105 124 S HN 1.909 nan 8.310 nan 0.000 0.470 125 S N -0.311 115.492 115.700 0.172 0.000 2.593 125 S HA -0.013 4.457 4.470 -0.001 0.000 0.217 125 S C 1.203 175.919 174.600 0.193 0.000 0.966 125 S CA 0.641 59.093 58.200 0.421 0.000 0.914 125 S CB -0.562 62.893 63.200 0.425 0.000 0.776 125 S HN 0.827 nan 8.310 nan 0.000 0.523 126 T N -0.261 114.212 114.554 -0.136 0.000 3.054 126 T HA 0.422 4.771 4.350 -0.001 0.000 0.255 126 T C 0.480 174.938 174.700 -0.404 0.000 1.035 126 T CA -0.575 61.138 62.100 -0.646 0.000 0.941 126 T CB -0.506 67.842 68.868 -0.868 0.000 1.026 126 T HN 0.307 nan 8.240 nan 0.000 0.533 127 L N 2.094 123.160 121.223 -0.262 0.000 2.499 127 L HA 0.125 4.464 4.340 -0.001 0.000 0.281 127 L C 1.347 178.030 176.870 -0.312 0.000 1.234 127 L CA -0.394 54.212 54.840 -0.391 0.000 0.839 127 L CB 0.332 41.936 42.059 -0.758 0.000 1.104 127 L HN 0.095 nan 8.230 nan 0.000 0.500 128 D N 1.063 121.295 120.400 -0.281 0.000 2.144 128 D HA -0.127 4.512 4.640 -0.001 0.000 0.199 128 D C 1.959 178.106 176.300 -0.256 0.000 0.984 128 D CA 1.270 55.164 54.000 -0.176 0.000 0.834 128 D CB -0.031 40.678 40.800 -0.152 0.000 0.955 128 D HN 0.517 nan 8.370 nan 0.000 0.465 129 V N -0.969 118.658 119.914 -0.478 0.000 3.241 129 V HA -0.148 3.972 4.120 -0.001 0.000 0.269 129 V C 1.210 176.988 176.094 -0.527 0.000 1.151 129 V CA 0.954 62.966 62.300 -0.481 0.000 1.158 129 V CB -1.113 30.344 31.823 -0.610 0.000 0.764 129 V HN 0.065 nan 8.190 nan 0.000 0.508 130 Y N 0.039 120.005 120.300 -0.557 0.000 2.524 130 Y HA 0.416 4.966 4.550 -0.001 0.000 0.266 130 Y C 1.135 176.774 175.900 -0.435 0.000 1.180 130 Y CA -1.749 55.807 58.100 -0.906 0.000 1.244 130 Y CB -0.961 37.223 38.460 -0.461 0.000 1.125 130 Y HN 0.274 nan 8.280 nan 0.000 0.524 131 N N 1.525 120.185 118.700 -0.067 0.000 2.417 131 N HA -0.037 4.702 4.740 -0.001 0.000 0.272 131 N C 1.342 176.633 175.510 -0.365 0.000 1.304 131 N CA 0.652 53.657 53.050 -0.075 0.000 0.906 131 N CB 1.015 39.529 38.487 0.046 0.000 1.135 131 N HN 0.459 nan 8.380 nan 0.000 0.483 132 G N 3.472 111.482 108.800 -1.316 0.000 2.848 132 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.208 132 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.208 132 G C 1.429 175.649 174.900 -1.134 0.000 1.152 132 G CA 0.371 44.741 45.100 -1.217 0.000 0.789 132 G HN 0.753 nan 8.290 nan 0.000 0.531 133 K N -0.197 119.429 120.400 -1.290 0.000 2.097 133 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 133 K C 1.764 178.116 176.600 -0.415 0.000 1.049 133 K CA 1.105 56.970 56.287 -0.703 0.000 0.933 133 K CB -0.580 31.596 32.500 -0.540 0.000 0.717 133 K HN 0.382 nan 8.250 nan 0.000 0.442 134 Y N 1.040 121.246 120.300 -0.157 0.000 2.242 134 Y HA -0.152 4.397 4.550 -0.001 0.000 0.291 134 Y C 2.407 178.283 175.900 -0.039 0.000 1.137 134 Y CA 0.645 58.712 58.100 -0.055 0.000 1.181 134 Y CB -0.300 38.110 38.460 -0.084 0.000 0.989 134 Y HN 0.045 nan 8.280 nan 0.000 0.527 135 L N 0.216 121.437 121.223 -0.003 0.000 2.068 135 L HA 0.010 4.349 4.340 -0.001 0.000 0.204 135 L C 2.401 179.257 176.870 -0.022 0.000 1.076 135 L CA 1.800 56.593 54.840 -0.079 0.000 0.753 135 L CB -1.163 40.738 42.059 -0.263 0.000 0.910 135 L HN 0.119 nan 8.230 nan 0.000 0.439 136 A N -1.260 121.556 122.820 -0.006 0.000 1.908 136 A HA -0.307 4.013 4.320 -0.001 0.000 0.218 136 A C 2.334 179.995 177.584 0.128 0.000 1.181 136 A CA 2.053 54.146 52.037 0.094 0.000 0.627 136 A CB -1.225 17.891 19.000 0.194 0.000 0.818 136 A HN 0.650 nan 8.150 nan 0.000 0.445 137 Y N 0.893 121.198 120.300 0.008 0.000 2.109 137 Y HA -0.180 4.370 4.550 -0.001 0.000 0.285 137 Y C 2.703 178.619 175.900 0.027 0.000 1.131 137 Y CA 2.440 60.556 58.100 0.026 0.000 1.121 137 Y CB -0.521 37.940 38.460 0.001 0.000 0.987 137 Y HN 0.298 nan 8.280 nan 0.000 0.495 138 T N 0.383 114.914 114.554 -0.037 0.000 2.788 138 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 138 T C 1.228 175.854 174.700 -0.124 0.000 1.044 138 T CA 1.682 63.694 62.100 -0.148 0.000 1.139 138 T CB -0.123 68.749 68.868 0.007 0.000 0.867 138 T HN 0.363 nan 8.240 nan 0.000 0.454 139 E N 0.280 120.452 120.200 -0.048 0.000 2.481 139 E HA 0.161 4.511 4.350 -0.001 0.000 0.198 139 E C 0.131 176.729 176.600 -0.003 0.000 1.027 139 E CA -0.010 56.392 56.400 0.002 0.000 0.900 139 E CB 0.267 29.984 29.700 0.029 0.000 0.993 139 E HN 0.508 nan 8.360 nan 0.000 0.482 140 E N 0.186 120.370 120.200 -0.026 0.000 2.271 140 E HA -0.165 4.185 4.350 -0.001 0.000 0.223 140 E C -0.646 175.978 176.600 0.040 0.000 1.223 140 E CA 0.450 56.853 56.400 0.005 0.000 0.704 140 E CB -1.254 28.442 29.700 -0.006 0.000 1.194 140 E HN 0.150 nan 8.360 nan 0.000 0.375 141 V N -3.212 116.738 119.914 0.059 0.000 2.960 141 V HA 0.741 4.860 4.120 -0.001 0.000 0.315 141 V C 0.383 176.553 176.094 0.128 0.000 1.087 141 V CA -1.070 61.273 62.300 0.072 0.000 0.982 141 V CB 2.264 34.112 31.823 0.041 0.000 1.039 141 V HN -0.060 nan 8.190 nan 0.000 0.437 142 V N 3.592 123.590 119.914 0.139 0.000 2.408 142 V HA 0.358 4.477 4.120 -0.001 0.000 0.267 142 V C -0.004 176.222 176.094 0.221 0.000 1.047 142 V CA -0.047 62.367 62.300 0.191 0.000 0.937 142 V CB 0.930 32.850 31.823 0.161 0.000 0.999 142 V HN 0.782 nan 8.190 nan 0.000 0.472 143 L N 6.881 128.294 121.223 0.316 0.000 2.272 143 L HA 0.620 4.960 4.340 -0.001 0.000 0.289 143 L C -0.588 176.583 176.870 0.501 0.000 1.032 143 L CA -0.129 54.944 54.840 0.388 0.000 0.810 143 L CB 1.458 43.733 42.059 0.360 0.000 1.205 143 L HN 0.418 nan 8.230 nan 0.000 0.422 144 V N 3.519 123.692 119.914 0.432 0.000 2.495 144 V HA 0.537 4.657 4.120 -0.001 0.000 0.298 144 V C -0.235 176.134 176.094 0.458 0.000 1.031 144 V CA -0.519 62.008 62.300 0.378 0.000 0.871 144 V CB 1.921 33.880 31.823 0.227 0.000 0.988 144 V HN 0.854 nan 8.190 nan 0.000 0.432 145 S N 5.281 121.267 115.700 0.478 0.000 2.478 145 S HA 0.839 5.309 4.470 -0.001 0.000 0.312 145 S C -0.673 174.107 174.600 0.299 0.000 1.094 145 S CA -0.782 57.704 58.200 0.476 0.000 1.081 145 S CB 1.638 65.219 63.200 0.635 0.000 1.007 145 S HN 0.640 nan 8.310 nan 0.000 0.475 146 L N 0.733 122.062 121.223 0.176 0.000 2.578 146 L HA 1.000 5.340 4.340 -0.001 0.000 0.259 146 L C 0.113 177.081 176.870 0.164 0.000 1.082 146 L CA -0.716 54.186 54.840 0.103 0.000 0.843 146 L CB 0.065 42.069 42.059 -0.091 0.000 1.535 146 L HN 0.882 nan 8.230 nan 0.000 0.510 147 S N -1.866 113.980 115.700 0.243 0.000 2.651 147 S HA 0.897 5.366 4.470 -0.001 0.000 0.279 147 S C -1.350 173.453 174.600 0.339 0.000 1.148 147 S CA -0.470 57.880 58.200 0.250 0.000 0.837 147 S CB 1.540 64.981 63.200 0.402 0.000 1.138 147 S HN 1.302 nan 8.310 nan 0.000 0.478 148 Y N -1.970 118.420 120.300 0.151 0.000 2.620 148 Y HA 0.655 5.205 4.550 -0.001 0.000 0.331 148 Y C -0.878 175.161 175.900 0.233 0.000 1.173 148 Y CA -1.380 56.821 58.100 0.169 0.000 1.076 148 Y CB 0.582 39.097 38.460 0.092 0.000 1.336 148 Y HN 0.787 nan 8.280 nan 0.000 0.459 149 R N 1.912 122.552 120.500 0.234 0.000 2.570 149 R HA 0.500 4.840 4.340 -0.001 0.000 0.277 149 R C -0.104 176.388 176.300 0.320 0.000 1.039 149 R CA 0.000 56.205 56.100 0.174 0.000 1.065 149 R CB 0.728 31.102 30.300 0.123 0.000 0.964 149 R HN 0.681 nan 8.270 nan 0.000 0.428 150 V N -0.159 119.954 119.914 0.333 0.000 3.204 150 V HA 0.885 5.005 4.120 -0.001 0.000 0.316 150 V C 0.776 177.208 176.094 0.563 0.000 1.160 150 V CA -0.183 62.432 62.300 0.524 0.000 1.044 150 V CB 1.149 33.151 31.823 0.297 0.000 1.136 150 V HN 0.982 nan 8.190 nan 0.000 0.455 151 G N 0.363 109.525 108.800 0.604 0.000 2.601 151 G HA2 0.027 3.986 3.960 -0.001 0.000 0.261 151 G HA3 0.027 3.986 3.960 -0.001 0.000 0.261 151 G C 1.016 176.088 174.900 0.286 0.000 1.289 151 G CA 0.978 46.384 45.100 0.511 0.000 0.920 151 G HN 2.211 nan 8.290 nan 0.000 0.571 152 A N -1.263 121.396 122.820 -0.269 0.000 1.948 152 A HA 0.135 4.454 4.320 -0.001 0.000 0.220 152 A C 2.251 179.656 177.584 -0.299 0.000 1.177 152 A CA 2.682 54.154 52.037 -0.942 0.000 0.636 152 A CB -0.571 17.732 19.000 -1.161 0.000 0.815 152 A HN 1.030 nan 8.150 nan 0.000 0.449 153 F N -0.020 119.977 119.950 0.078 0.000 2.202 153 F HA -0.035 4.491 4.527 -0.001 0.000 0.301 153 F C 2.444 178.262 175.800 0.029 0.000 1.082 153 F CA 1.132 59.164 58.000 0.053 0.000 1.313 153 F CB -0.626 38.355 39.000 -0.031 0.000 1.024 153 F HN 0.293 nan 8.300 nan 0.000 0.495 154 G N -2.345 106.554 108.800 0.165 0.000 2.833 154 G HA2 0.068 4.027 3.960 -0.001 0.000 0.210 154 G HA3 0.068 4.027 3.960 -0.001 0.000 0.210 154 G C 0.785 175.204 174.900 -0.802 0.000 1.139 154 G CA 0.102 45.046 45.100 -0.260 0.000 0.771 154 G HN 0.338 nan 8.290 nan 0.000 0.535 155 F N -0.437 119.599 119.950 0.143 0.000 2.838 155 F HA 0.431 4.958 4.527 -0.001 0.000 0.329 155 F C 0.389 176.238 175.800 0.080 0.000 1.116 155 F CA -1.010 57.058 58.000 0.113 0.000 1.155 155 F CB 0.410 39.507 39.000 0.160 0.000 1.106 155 F HN -0.090 nan 8.300 nan 0.000 0.538 156 L N 2.256 123.459 121.223 -0.034 0.000 2.559 156 L HA 0.418 4.757 4.340 -0.001 0.000 0.274 156 L C 0.143 176.973 176.870 -0.067 0.000 1.205 156 L CA 0.273 54.987 54.840 -0.210 0.000 0.907 156 L CB 0.347 41.982 42.059 -0.707 0.000 1.153 156 L HN 0.154 nan 8.230 nan 0.000 0.490 157 A N 6.996 129.833 122.820 0.029 0.000 2.340 157 A HA 0.615 4.935 4.320 -0.001 0.000 0.297 157 A C -0.811 176.787 177.584 0.024 0.000 1.195 157 A CA -0.487 51.574 52.037 0.039 0.000 0.769 157 A CB 0.628 19.686 19.000 0.097 0.000 1.163 157 A HN 0.712 nan 8.150 nan 0.000 0.472 158 L N 3.550 124.776 121.223 0.005 0.000 2.506 158 L HA 0.238 4.577 4.340 -0.001 0.000 0.247 158 L C 0.082 176.989 176.870 0.062 0.000 1.141 158 L CA -0.796 54.052 54.840 0.014 0.000 0.973 158 L CB 0.260 42.296 42.059 -0.039 0.000 1.319 158 L HN 0.894 nan 8.230 nan 0.000 0.455 159 H N 1.699 120.769 119.070 0.000 0.000 3.173 159 H HA 0.172 4.728 4.556 -0.001 0.000 0.311 159 H C 1.189 176.523 175.328 0.009 0.000 0.972 159 H CA 1.742 57.797 56.048 0.012 0.000 1.384 159 H CB 0.706 30.480 29.762 0.019 0.000 1.349 159 H HN 0.700 nan 8.280 nan 0.000 0.582 160 G N 2.604 111.124 108.800 -0.467 0.000 2.313 160 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.215 160 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.215 160 G C 0.474 175.283 174.900 -0.152 0.000 1.023 160 G CA 0.191 45.098 45.100 -0.322 0.000 0.626 160 G HN 0.896 nan 8.290 nan 0.000 0.503 161 S N 0.286 115.932 115.700 -0.091 0.000 2.584 161 S HA 0.560 5.030 4.470 -0.001 0.000 0.273 161 S C 1.135 175.716 174.600 -0.031 0.000 1.311 161 S CA 0.190 58.364 58.200 -0.043 0.000 1.034 161 S CB 1.329 64.515 63.200 -0.024 0.000 0.939 161 S HN 0.246 nan 8.310 nan 0.000 0.513 162 Q N 1.894 121.687 119.800 -0.012 0.000 2.356 162 Q HA 0.166 4.506 4.340 -0.001 0.000 0.205 162 Q C 1.174 177.190 176.000 0.026 0.000 0.901 162 Q CA 0.290 56.095 55.803 0.004 0.000 0.938 162 Q CB 0.152 28.893 28.738 0.004 0.000 1.081 162 Q HN 0.689 nan 8.270 nan 0.000 0.517 163 E N 0.692 120.910 120.200 0.031 0.000 2.158 163 E HA 0.042 4.391 4.350 -0.001 0.000 0.191 163 E C 0.177 176.831 176.600 0.089 0.000 0.982 163 E CA 0.628 57.065 56.400 0.061 0.000 0.823 163 E CB 0.414 30.154 29.700 0.065 0.000 0.766 163 E HN 0.133 nan 8.360 nan 0.000 0.468 164 A N 1.420 124.267 122.820 0.044 0.000 3.300 164 A HA 0.293 4.612 4.320 -0.001 0.000 0.300 164 A C -2.130 175.454 177.584 0.001 0.000 1.099 164 A CA -0.886 51.162 52.037 0.019 0.000 0.846 164 A CB 0.748 19.667 19.000 -0.135 0.000 1.255 164 A HN -0.110 nan 8.150 nan 0.000 0.519 165 P HA 0.180 nan 4.420 nan 0.000 0.231 165 P C 0.857 178.207 177.300 0.083 0.000 1.168 165 P CA 1.627 64.759 63.100 0.053 0.000 0.779 165 P CB 0.274 32.007 31.700 0.054 0.000 0.844 166 G N 0.719 109.548 108.800 0.048 0.000 2.662 166 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.686 166 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.686 166 G C -0.137 174.774 174.900 0.019 0.000 1.271 166 G CA -0.309 44.827 45.100 0.060 0.000 0.816 166 G HN 0.098 nan 8.290 nan 0.000 0.608 167 N N -2.403 116.302 118.700 0.009 0.000 2.778 167 N HA -0.283 4.456 4.740 -0.001 0.000 0.249 167 N C 1.927 177.290 175.510 -0.245 0.000 1.069 167 N CA 2.537 55.525 53.050 -0.103 0.000 0.831 167 N CB -1.637 36.751 38.487 -0.166 0.000 1.142 167 N HN 1.931 nan 8.380 nan 0.000 0.573 168 V N -2.729 117.028 119.914 -0.261 0.000 2.626 168 V HA 0.026 4.146 4.120 -0.001 0.000 0.252 168 V C 2.283 178.243 176.094 -0.223 0.000 1.067 168 V CA 2.276 64.473 62.300 -0.172 0.000 1.081 168 V CB -0.870 30.907 31.823 -0.076 0.000 0.686 168 V HN 0.272 nan 8.190 nan 0.000 0.468 169 G N 0.380 108.833 108.800 -0.578 0.000 2.432 169 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.219 169 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.219 169 G C 1.544 176.425 174.900 -0.032 0.000 1.135 169 G CA 1.141 46.061 45.100 -0.300 0.000 0.767 169 G HN 0.538 nan 8.290 nan 0.000 0.550 170 L N -0.159 120.997 121.223 -0.111 0.000 2.109 170 L HA 0.095 4.435 4.340 -0.001 0.000 0.207 170 L C 2.811 179.718 176.870 0.062 0.000 1.086 170 L CA 0.354 55.118 54.840 -0.126 0.000 0.760 170 L CB -0.262 41.404 42.059 -0.655 0.000 0.910 170 L HN 0.174 nan 8.230 nan 0.000 0.437 171 L N -0.562 120.691 121.223 0.049 0.000 2.131 171 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 171 L C 2.143 179.106 176.870 0.155 0.000 1.092 171 L CA 0.858 55.797 54.840 0.164 0.000 0.759 171 L CB -0.650 41.482 42.059 0.122 0.000 0.903 171 L HN 0.285 nan 8.230 nan 0.000 0.435 172 D N 0.001 120.490 120.400 0.148 0.000 2.097 172 D HA -0.201 4.438 4.640 -0.001 0.000 0.195 172 D C 2.296 178.696 176.300 0.168 0.000 0.989 172 D CA 1.194 55.352 54.000 0.263 0.000 0.827 172 D CB -0.199 40.793 40.800 0.319 0.000 0.966 172 D HN 0.397 nan 8.370 nan 0.000 0.456 173 Q N 0.103 119.953 119.800 0.083 0.000 2.084 173 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 173 Q C 2.296 178.216 176.000 -0.133 0.000 0.978 173 Q CA 1.044 56.808 55.803 -0.065 0.000 0.844 173 Q CB -0.082 28.629 28.738 -0.045 0.000 0.898 173 Q HN 0.206 nan 8.270 nan 0.000 0.426 174 R N 0.643 121.157 120.500 0.023 0.000 2.081 174 R HA -0.157 4.183 4.340 -0.001 0.000 0.235 174 R C 2.208 178.496 176.300 -0.021 0.000 1.131 174 R CA 1.523 57.619 56.100 -0.006 0.000 0.960 174 R CB -0.166 30.243 30.300 0.182 0.000 0.856 174 R HN 0.261 nan 8.270 nan 0.000 0.436 175 M N 0.082 119.699 119.600 0.028 0.000 2.159 175 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 175 M C 2.089 178.337 176.300 -0.086 0.000 1.063 175 M CA 2.027 57.373 55.300 0.077 0.000 1.110 175 M CB -0.026 32.726 32.600 0.253 0.000 1.374 175 M HN 0.302 nan 8.290 nan 0.000 0.411 176 A N 0.118 122.609 122.820 -0.549 0.000 1.930 176 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 176 A C 2.001 179.452 177.584 -0.221 0.000 1.175 176 A CA 1.350 52.879 52.037 -0.845 0.000 0.627 176 A CB -0.942 17.293 19.000 -1.276 0.000 0.815 176 A HN 0.581 nan 8.150 nan 0.000 0.443 177 L N -1.134 119.991 121.223 -0.164 0.000 2.141 177 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 177 L C 2.790 179.702 176.870 0.069 0.000 1.094 177 L CA 1.473 56.286 54.840 -0.045 0.000 0.763 177 L CB -0.401 41.591 42.059 -0.112 0.000 0.908 177 L HN 0.451 nan 8.230 nan 0.000 0.437 178 Q N -0.261 119.581 119.800 0.069 0.000 2.084 178 Q HA -0.254 4.086 4.340 -0.001 0.000 0.202 178 Q C 2.006 178.127 176.000 0.201 0.000 0.978 178 Q CA 1.930 57.807 55.803 0.124 0.000 0.844 178 Q CB -0.476 28.328 28.738 0.110 0.000 0.898 178 Q HN 0.471 nan 8.270 nan 0.000 0.426 179 W N -0.726 120.590 121.300 0.028 0.000 2.358 179 W HA -0.152 4.507 4.660 -0.001 0.000 0.303 179 W C 1.882 178.433 176.519 0.054 0.000 1.208 179 W CA 1.619 58.999 57.345 0.058 0.000 1.274 179 W CB -0.154 29.344 29.460 0.064 0.000 1.138 179 W HN 0.010 nan 8.180 nan 0.000 0.515 180 V N 0.087 120.207 119.914 0.343 0.000 2.295 180 V HA -0.387 3.732 4.120 -0.001 0.000 0.246 180 V C 2.560 178.675 176.094 0.034 0.000 1.049 180 V CA 2.367 64.790 62.300 0.204 0.000 1.024 180 V CB -1.306 30.623 31.823 0.176 0.000 0.648 180 V HN 0.370 nan 8.190 nan 0.000 0.447 181 H N 0.198 119.265 119.070 -0.005 0.000 2.319 181 H HA -0.193 4.362 4.556 -0.001 0.000 0.299 181 H C 1.918 177.178 175.328 -0.114 0.000 1.092 181 H CA 2.105 58.128 56.048 -0.042 0.000 1.302 181 H CB -0.036 29.717 29.762 -0.014 0.000 1.373 181 H HN 0.409 nan 8.280 nan 0.000 0.497 182 D N -0.197 120.080 120.400 -0.204 0.000 2.277 182 D HA -0.051 4.589 4.640 -0.001 0.000 0.208 182 D C 1.220 177.303 176.300 -0.363 0.000 0.962 182 D CA 0.589 54.419 54.000 -0.283 0.000 0.865 182 D CB 0.055 40.767 40.800 -0.146 0.000 0.939 182 D HN 0.482 nan 8.370 nan 0.000 0.510 183 N N -0.291 118.126 118.700 -0.473 0.000 2.211 183 N HA 0.023 4.763 4.740 -0.001 0.000 0.216 183 N C 1.505 176.894 175.510 -0.202 0.000 1.240 183 N CA -0.183 52.623 53.050 -0.407 0.000 0.895 183 N CB 1.004 38.897 38.487 -0.991 0.000 1.102 183 N HN 0.010 nan 8.380 nan 0.000 0.498 184 I N 3.252 123.720 120.570 -0.171 0.000 2.423 184 I HA -0.274 3.896 4.170 -0.001 0.000 0.254 184 I C 2.591 178.688 176.117 -0.034 0.000 1.151 184 I CA 1.431 62.745 61.300 0.023 0.000 1.421 184 I CB -0.175 37.825 38.000 -0.001 0.000 1.079 184 I HN 0.213 nan 8.210 nan 0.000 0.431 185 Q N -0.733 118.855 119.800 -0.353 0.000 2.181 185 Q HA -0.247 4.093 4.340 -0.001 0.000 0.205 185 Q C 1.956 177.710 176.000 -0.410 0.000 0.980 185 Q CA 1.725 57.269 55.803 -0.432 0.000 0.862 185 Q CB -0.907 27.451 28.738 -0.633 0.000 0.905 185 Q HN 0.413 nan 8.270 nan 0.000 0.429 186 F N -0.024 119.881 119.950 -0.075 0.000 2.451 186 F HA 0.051 4.577 4.527 -0.001 0.000 0.299 186 F C 1.107 176.705 175.800 -0.336 0.000 1.101 186 F CA 0.374 58.238 58.000 -0.226 0.000 1.436 186 F CB -0.244 38.545 39.000 -0.351 0.000 1.074 186 F HN 0.006 nan 8.300 nan 0.000 0.553 187 F N -0.663 119.282 119.950 -0.008 0.000 2.727 187 F HA 0.401 4.928 4.527 -0.001 0.000 0.302 187 F C 1.859 177.663 175.800 0.006 0.000 1.097 187 F CA 0.461 58.437 58.000 -0.040 0.000 1.330 187 F CB -0.025 38.920 39.000 -0.091 0.000 1.084 187 F HN 0.050 nan 8.300 nan 0.000 0.578 188 G N 0.041 108.916 108.800 0.125 0.000 2.176 188 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.232 188 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.232 188 G C 0.647 175.588 174.900 0.068 0.000 0.986 188 G CA -0.304 44.848 45.100 0.086 0.000 0.643 188 G HN 0.701 nan 8.290 nan 0.000 0.522 189 G N -0.307 108.537 108.800 0.073 0.000 2.448 189 G HA2 0.477 4.437 3.960 -0.001 0.000 0.285 189 G HA3 0.477 4.437 3.960 -0.001 0.000 0.285 189 G C -0.692 174.196 174.900 -0.019 0.000 1.176 189 G CA 0.338 45.463 45.100 0.043 0.000 0.852 189 G HN 0.241 nan 8.290 nan 0.000 0.530 190 D N 1.560 121.952 120.400 -0.013 0.000 2.380 190 D HA 0.246 4.886 4.640 -0.001 0.000 0.230 190 D C -0.920 175.356 176.300 -0.040 0.000 1.154 190 D CA -2.369 51.608 54.000 -0.038 0.000 0.859 190 D CB 1.757 42.544 40.800 -0.021 0.000 1.045 190 D HN 0.067 nan 8.370 nan 0.000 0.495 191 P HA -0.144 nan 4.420 nan 0.000 0.225 191 P C 0.617 177.916 177.300 -0.001 0.000 1.148 191 P CA 0.824 63.878 63.100 -0.077 0.000 0.779 191 P CB 0.058 31.617 31.700 -0.236 0.000 0.780 192 K N -0.787 119.603 120.400 -0.017 0.000 2.444 192 K HA 0.133 4.453 4.320 -0.001 0.000 0.193 192 K C -0.075 176.527 176.600 0.003 0.000 1.024 192 K CA 0.385 56.674 56.287 0.003 0.000 1.077 192 K CB -0.384 32.107 32.500 -0.014 0.000 0.833 192 K HN -0.110 nan 8.250 nan 0.000 0.517 193 T N 1.519 116.079 114.554 0.009 0.000 3.630 193 T HA 0.126 4.475 4.350 -0.001 0.000 0.238 193 T C -0.980 173.741 174.700 0.036 0.000 1.195 193 T CA -0.524 61.579 62.100 0.005 0.000 1.433 193 T CB 0.833 69.690 68.868 -0.018 0.000 0.940 193 T HN 0.129 nan 8.240 nan 0.000 0.641 194 V N 1.779 121.743 119.914 0.084 0.000 2.394 194 V HA 0.636 4.756 4.120 -0.001 0.000 0.282 194 V C -0.376 175.826 176.094 0.180 0.000 1.031 194 V CA 0.114 62.491 62.300 0.129 0.000 0.881 194 V CB 1.369 33.286 31.823 0.157 0.000 0.982 194 V HN 0.486 nan 8.190 nan 0.000 0.451 195 T N 8.738 123.383 114.554 0.152 0.000 2.771 195 T HA 0.532 4.881 4.350 -0.001 0.000 0.281 195 T C -0.081 174.746 174.700 0.213 0.000 0.982 195 T CA -0.135 62.072 62.100 0.178 0.000 0.978 195 T CB 0.741 69.671 68.868 0.104 0.000 0.930 195 T HN 0.787 nan 8.240 nan 0.000 0.447 196 I N 1.785 122.444 120.570 0.148 0.000 2.385 196 I HA 0.845 5.014 4.170 -0.001 0.000 0.294 196 I C -0.773 175.520 176.117 0.293 0.000 0.988 196 I CA -0.961 60.407 61.300 0.113 0.000 1.265 196 I CB 0.812 38.648 38.000 -0.273 0.000 1.388 196 I HN 0.483 nan 8.210 nan 0.000 0.480 197 F N 3.092 123.092 119.950 0.084 0.000 2.601 197 F HA 1.003 5.530 4.527 -0.001 0.000 0.309 197 F C -0.450 175.386 175.800 0.060 0.000 1.089 197 F CA -1.298 56.795 58.000 0.155 0.000 0.940 197 F CB 1.379 40.577 39.000 0.330 0.000 1.273 197 F HN 0.826 nan 8.300 nan 0.000 0.450 198 G N 1.175 109.891 108.800 -0.140 0.000 2.646 198 G HA2 0.491 4.451 3.960 -0.001 0.000 0.291 198 G HA3 0.491 4.451 3.960 -0.001 0.000 0.291 198 G C -2.526 172.169 174.900 -0.342 0.000 1.445 198 G CA -0.793 43.864 45.100 -0.738 0.000 0.814 198 G HN 0.868 nan 8.290 nan 0.000 0.495 199 E N 0.286 120.219 120.200 -0.445 0.000 2.244 199 E HA 0.646 4.996 4.350 -0.001 0.000 0.266 199 E C 0.760 177.283 176.600 -0.129 0.000 0.914 199 E CA 0.296 56.652 56.400 -0.073 0.000 0.794 199 E CB 2.162 31.953 29.700 0.153 0.000 1.210 199 E HN 0.828 nan 8.360 nan 0.000 0.414 200 S N 2.390 118.085 115.700 -0.009 0.000 4.112 200 S HA -0.397 4.073 4.470 -0.001 0.000 0.602 200 S C 1.469 176.129 174.600 0.099 0.000 1.939 200 S CA 2.203 60.459 58.200 0.094 0.000 4.230 200 S CB -1.614 61.558 63.200 -0.046 0.000 0.245 200 S HN 0.966 nan 8.310 nan 0.000 0.530 201 A N 0.959 123.702 122.820 -0.128 0.000 2.076 201 A HA 0.146 4.465 4.320 -0.001 0.000 0.220 201 A C 2.371 179.711 177.584 -0.407 0.000 1.160 201 A CA 2.351 54.142 52.037 -0.409 0.000 0.653 201 A CB -1.457 16.854 19.000 -1.148 0.000 0.801 201 A HN 1.529 nan 8.150 nan 0.000 0.455 202 G N -0.846 107.768 108.800 -0.310 0.000 2.430 202 G HA2 0.139 4.099 3.960 -0.001 0.000 0.216 202 G HA3 0.139 4.099 3.960 -0.001 0.000 0.216 202 G C 1.412 176.158 174.900 -0.257 0.000 1.146 202 G CA 1.054 45.941 45.100 -0.354 0.000 0.793 202 G HN 0.630 nan 8.290 nan 0.000 0.537 203 G N 1.034 109.741 108.800 -0.156 0.000 2.394 203 G HA2 0.127 4.087 3.960 -0.001 0.000 0.215 203 G HA3 0.127 4.087 3.960 -0.001 0.000 0.215 203 G C 2.007 176.828 174.900 -0.132 0.000 1.165 203 G CA 1.368 46.409 45.100 -0.099 0.000 0.784 203 G HN 0.548 nan 8.290 nan 0.000 0.535 204 A N 0.947 123.720 122.820 -0.078 0.000 1.902 204 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 204 A C 2.694 180.238 177.584 -0.066 0.000 1.181 204 A CA 2.230 54.200 52.037 -0.111 0.000 0.623 204 A CB -0.694 18.287 19.000 -0.032 0.000 0.818 204 A HN 0.292 nan 8.150 nan 0.000 0.443 205 S N -0.372 115.314 115.700 -0.024 0.000 2.359 205 S HA -0.161 4.308 4.470 -0.001 0.000 0.224 205 S C 1.912 176.454 174.600 -0.097 0.000 1.035 205 S CA 1.514 59.680 58.200 -0.057 0.000 1.018 205 S CB -0.570 62.553 63.200 -0.127 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.570 121.431 119.914 -0.089 0.000 2.287 206 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 206 V C 2.605 178.655 176.094 -0.072 0.000 1.053 206 V CA 2.040 64.294 62.300 -0.077 0.000 1.027 206 V CB -1.460 30.302 31.823 -0.102 0.000 0.646 206 V HN 0.610 nan 8.190 nan 0.000 0.447 207 G N -1.116 107.586 108.800 -0.162 0.000 2.443 207 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.219 207 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.219 207 G C 1.588 176.489 174.900 0.001 0.000 1.131 207 G CA 0.850 45.828 45.100 -0.203 0.000 0.775 207 G HN 0.457 nan 8.290 nan 0.000 0.547 208 M N -0.152 119.457 119.600 0.015 0.000 2.229 208 M HA 0.028 4.508 4.480 -0.001 0.000 0.264 208 M C 2.169 178.563 176.300 0.158 0.000 1.063 208 M CA 0.853 56.280 55.300 0.211 0.000 1.114 208 M CB -0.162 32.587 32.600 0.249 0.000 1.387 208 M HN 0.187 nan 8.290 nan 0.000 0.420 209 H N -0.505 118.692 119.070 0.211 0.000 2.512 209 H HA 0.107 4.663 4.556 -0.001 0.000 0.279 209 H C 2.089 177.637 175.328 0.366 0.000 0.999 209 H CA 1.079 57.248 56.048 0.202 0.000 1.283 209 H CB -0.020 29.752 29.762 0.016 0.000 1.421 209 H HN 0.397 nan 8.280 nan 0.000 0.554 210 I N 0.453 121.302 120.570 0.465 0.000 2.315 210 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 210 I C 2.164 178.530 176.117 0.415 0.000 1.117 210 I CA 0.865 62.490 61.300 0.543 0.000 1.404 210 I CB -0.011 38.254 38.000 0.441 0.000 1.071 210 I HN 0.103 nan 8.210 nan 0.000 0.419 211 L N -0.662 120.769 121.223 0.347 0.000 2.068 211 L HA -0.055 4.284 4.340 -0.001 0.000 0.204 211 L C 1.524 178.512 176.870 0.197 0.000 1.076 211 L CA 0.384 55.424 54.840 0.333 0.000 0.753 211 L CB -0.291 41.995 42.059 0.377 0.000 0.910 211 L HN 0.054 nan 8.230 nan 0.000 0.439 212 S N 0.072 115.806 115.700 0.057 0.000 2.481 212 S HA 0.079 4.548 4.470 -0.001 0.000 0.282 212 S C -1.471 173.018 174.600 -0.186 0.000 1.243 212 S CA -1.333 56.709 58.200 -0.263 0.000 1.078 212 S CB 0.784 63.390 63.200 -0.990 0.000 0.916 212 S HN -0.074 nan 8.310 nan 0.000 0.495 213 P HA -0.106 nan 4.420 nan 0.000 0.216 213 P C 1.433 178.652 177.300 -0.136 0.000 1.154 213 P CA 1.350 64.385 63.100 -0.108 0.000 0.865 213 P CB -0.107 31.535 31.700 -0.097 0.000 0.789 214 G N -1.750 106.919 108.800 -0.217 0.000 2.559 214 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 214 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 214 G C 1.380 176.203 174.900 -0.128 0.000 1.126 214 G CA 0.615 45.605 45.100 -0.183 0.000 0.778 214 G HN 0.243 nan 8.290 nan 0.000 0.543 215 S N -0.574 115.070 115.700 -0.092 0.000 2.506 215 S HA 0.116 4.585 4.470 -0.001 0.000 0.219 215 S C 2.193 176.888 174.600 0.159 0.000 1.031 215 S CA -0.428 57.824 58.200 0.087 0.000 0.911 215 S CB 0.230 63.620 63.200 0.317 0.000 0.812 215 S HN 0.354 nan 8.310 nan 0.000 0.497 216 R N 1.864 122.393 120.500 0.050 0.000 2.117 216 R HA -0.104 4.235 4.340 -0.001 0.000 0.243 216 R C 0.674 176.761 176.300 -0.355 0.000 1.143 216 R CA 1.585 57.606 56.100 -0.131 0.000 0.968 216 R CB -0.410 29.828 30.300 -0.102 0.000 0.863 216 R HN 0.286 nan 8.270 nan 0.000 0.444 217 D N 0.308 120.580 120.400 -0.214 0.000 2.349 217 D HA -0.002 4.638 4.640 -0.001 0.000 0.224 217 D C 1.388 177.536 176.300 -0.253 0.000 1.029 217 D CA 0.609 54.466 54.000 -0.238 0.000 0.879 217 D CB 0.135 40.823 40.800 -0.186 0.000 0.906 217 D HN 0.241 nan 8.370 nan 0.000 0.528 218 L N -0.343 120.784 121.223 -0.160 0.000 2.591 218 L HA 0.154 4.494 4.340 -0.001 0.000 0.228 218 L C 0.137 177.096 176.870 0.148 0.000 1.133 218 L CA 0.058 54.860 54.840 -0.064 0.000 0.880 218 L CB -0.248 41.829 42.059 0.031 0.000 1.033 218 L HN -0.042 nan 8.230 nan 0.000 0.450 219 F N -3.860 116.081 119.950 -0.016 0.000 2.685 219 F HA 0.605 5.132 4.527 -0.001 0.000 0.315 219 F C 0.487 176.306 175.800 0.032 0.000 1.126 219 F CA -1.324 56.691 58.000 0.025 0.000 0.950 219 F CB 1.197 40.215 39.000 0.031 0.000 1.360 219 F HN -0.406 nan 8.300 nan 0.000 0.469 220 R N 0.485 121.063 120.500 0.131 0.000 2.121 220 R HA 0.490 4.830 4.340 -0.001 0.000 0.206 220 R C -0.105 176.256 176.300 0.103 0.000 1.094 220 R CA 0.852 56.962 56.100 0.018 0.000 1.055 220 R CB 0.346 30.660 30.300 0.024 0.000 0.964 220 R HN 0.781 nan 8.270 nan 0.000 0.473 221 R N -1.390 119.279 120.500 0.282 0.000 2.831 221 R HA 0.755 5.095 4.340 -0.001 0.000 0.266 221 R C -1.562 174.986 176.300 0.412 0.000 1.051 221 R CA -0.702 55.562 56.100 0.274 0.000 0.943 221 R CB 2.186 32.484 30.300 -0.004 0.000 1.228 221 R HN 0.169 nan 8.270 nan 0.000 0.467 222 A N 1.227 124.289 122.820 0.404 0.000 2.549 222 A HA 0.718 5.038 4.320 -0.001 0.000 0.297 222 A C -1.242 176.456 177.584 0.191 0.000 1.061 222 A CA -0.611 51.589 52.037 0.271 0.000 0.690 222 A CB 1.331 20.455 19.000 0.206 0.000 1.287 222 A HN 0.560 nan 8.150 nan 0.000 0.402 223 I N 1.751 122.390 120.570 0.115 0.000 2.466 223 I HA 0.400 4.570 4.170 -0.001 0.000 0.289 223 I C -1.484 174.674 176.117 0.068 0.000 1.026 223 I CA -0.615 60.671 61.300 -0.024 0.000 1.078 223 I CB 1.939 39.897 38.000 -0.071 0.000 1.249 223 I HN 0.440 nan 8.210 nan 0.000 0.429 224 L N 6.546 127.774 121.223 0.009 0.000 2.325 224 L HA 0.462 4.802 4.340 -0.001 0.000 0.281 224 L C -0.509 176.432 176.870 0.117 0.000 1.004 224 L CA -0.276 54.578 54.840 0.022 0.000 0.823 224 L CB 1.600 43.600 42.059 -0.098 0.000 1.236 224 L HN 0.487 nan 8.230 nan 0.000 0.415 225 Q N 1.839 121.761 119.800 0.203 0.000 2.368 225 Q HA 0.472 4.812 4.340 -0.001 0.000 0.263 225 Q C -0.089 176.036 176.000 0.208 0.000 1.009 225 Q CA -0.560 55.435 55.803 0.321 0.000 0.818 225 Q CB 1.527 30.560 28.738 0.492 0.000 1.239 225 Q HN 0.654 nan 8.270 nan 0.000 0.464 226 S N 1.072 116.888 115.700 0.193 0.000 3.559 226 S HA -0.166 4.303 4.470 -0.001 0.000 0.369 226 S C 0.033 174.792 174.600 0.266 0.000 0.987 226 S CA 0.578 58.918 58.200 0.234 0.000 1.187 226 S CB -1.157 62.228 63.200 0.309 0.000 0.914 226 S HN 0.965 nan 8.310 nan 0.000 0.480 227 G N -0.351 108.537 108.800 0.148 0.000 2.655 227 G HA2 0.635 4.594 3.960 -0.001 0.000 0.296 227 G HA3 0.635 4.594 3.960 -0.001 0.000 0.296 227 G C -0.971 173.880 174.900 -0.080 0.000 1.485 227 G CA 0.126 45.321 45.100 0.158 0.000 0.869 227 G HN 1.167 nan 8.290 nan 0.000 0.540 228 S N 1.043 116.618 115.700 -0.208 0.000 2.570 228 S HA 0.781 5.251 4.470 -0.001 0.000 0.270 228 S C -2.183 172.135 174.600 -0.469 0.000 1.149 228 S CA -0.960 56.970 58.200 -0.450 0.000 0.837 228 S CB 2.902 65.814 63.200 -0.479 0.000 1.124 228 S HN 0.440 nan 8.310 nan 0.000 0.465 229 P HA -0.129 nan 4.420 nan 0.000 0.218 229 P C 0.682 177.754 177.300 -0.380 0.000 1.148 229 P CA 1.418 64.293 63.100 -0.376 0.000 0.822 229 P CB -0.323 31.215 31.700 -0.270 0.000 0.784 230 N N -0.752 117.758 118.700 -0.318 0.000 2.449 230 N HA -0.027 4.713 4.740 -0.001 0.000 0.191 230 N C 0.111 175.384 175.510 -0.396 0.000 1.161 230 N CA -0.139 52.751 53.050 -0.268 0.000 0.863 230 N CB -1.409 37.041 38.487 -0.063 0.000 0.980 230 N HN 0.041 nan 8.380 nan 0.000 0.458 231 C N 2.951 121.896 119.300 -0.593 0.000 2.634 231 C HA 0.061 4.521 4.460 -0.001 0.000 0.417 231 C C -0.111 174.372 174.990 -0.845 0.000 1.334 231 C CA -0.900 57.613 59.018 -0.842 0.000 1.829 231 C CB 1.030 27.895 27.740 -1.458 0.000 2.665 231 C HN 0.369 nan 8.230 nan 0.000 0.614 232 P HA -0.118 nan 4.420 nan 0.000 0.221 232 P C 1.205 178.296 177.300 -0.348 0.000 1.145 232 P CA 1.866 64.679 63.100 -0.478 0.000 0.795 232 P CB -0.090 31.345 31.700 -0.443 0.000 0.775 233 W N -1.248 119.921 121.300 -0.218 0.000 3.077 233 W HA 0.539 5.198 4.660 -0.000 0.000 0.266 233 W C 1.299 177.854 176.519 0.060 0.000 1.300 233 W CA 0.337 57.626 57.345 -0.092 0.000 1.586 233 W CB -1.146 28.281 29.460 -0.055 0.000 1.103 233 W HN -0.115 nan 8.180 nan 0.000 0.652 234 A N 1.440 123.972 122.820 -0.480 0.000 2.119 234 A HA 0.128 4.447 4.320 -0.001 0.000 0.216 234 A C 1.066 178.456 177.584 -0.323 0.000 1.152 234 A CA 1.248 53.085 52.037 -0.334 0.000 0.708 234 A CB -0.561 17.984 19.000 -0.759 0.000 0.805 234 A HN 0.232 nan 8.150 nan 0.000 0.460 235 S N -1.818 113.696 115.700 -0.311 0.000 2.565 235 S HA 0.636 5.106 4.470 -0.001 0.000 0.269 235 S C -0.822 173.646 174.600 -0.219 0.000 1.153 235 S CA -0.095 57.918 58.200 -0.312 0.000 0.835 235 S CB 1.352 64.302 63.200 -0.418 0.000 1.122 235 S HN 1.261 nan 8.310 nan 0.000 0.462 236 V N -0.804 119.003 119.914 -0.178 0.000 3.130 236 V HA 0.937 5.057 4.120 -0.001 0.000 0.310 236 V C 0.247 176.270 176.094 -0.118 0.000 1.158 236 V CA -0.501 61.721 62.300 -0.130 0.000 1.029 236 V CB 1.134 32.898 31.823 -0.098 0.000 1.057 236 V HN 1.441 nan 8.190 nan 0.000 0.436 237 S N 0.769 116.410 115.700 -0.099 0.000 2.608 237 S HA 0.328 4.798 4.470 -0.001 0.000 0.261 237 S C 1.301 175.854 174.600 -0.079 0.000 1.314 237 S CA 0.024 58.169 58.200 -0.092 0.000 0.992 237 S CB 1.233 64.388 63.200 -0.075 0.000 0.935 237 S HN 2.068 nan 8.310 nan 0.000 0.564 238 V N -1.524 118.331 119.914 -0.099 0.000 2.515 238 V HA 0.041 4.161 4.120 -0.001 0.000 0.250 238 V C 2.520 178.594 176.094 -0.034 0.000 1.058 238 V CA 1.515 63.763 62.300 -0.088 0.000 1.064 238 V CB -2.010 29.684 31.823 -0.215 0.000 0.675 238 V HN 0.990 nan 8.190 nan 0.000 0.461 239 A N 0.721 123.518 122.820 -0.038 0.000 1.902 239 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 239 A C 2.214 179.780 177.584 -0.030 0.000 1.181 239 A CA 2.031 54.055 52.037 -0.021 0.000 0.623 239 A CB -0.628 18.359 19.000 -0.022 0.000 0.818 239 A HN 0.625 nan 8.150 nan 0.000 0.443 240 E N 0.113 120.286 120.200 -0.045 0.000 2.072 240 E HA -0.015 4.335 4.350 -0.001 0.000 0.191 240 E C 1.985 178.550 176.600 -0.057 0.000 0.985 240 E CA 1.492 57.855 56.400 -0.062 0.000 0.801 240 E CB -0.856 28.800 29.700 -0.072 0.000 0.750 240 E HN 0.378 nan 8.360 nan 0.000 0.452 241 G N 0.817 109.597 108.800 -0.035 0.000 2.446 241 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.217 241 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.217 241 G C 1.770 176.681 174.900 0.018 0.000 1.168 241 G CA 1.000 46.102 45.100 0.003 0.000 0.771 241 G HN 0.347 nan 8.290 nan 0.000 0.551 242 R N 0.203 120.709 120.500 0.010 0.000 2.083 242 R HA -0.029 4.310 4.340 -0.001 0.000 0.237 242 R C 2.584 178.881 176.300 -0.005 0.000 1.137 242 R CA 1.505 57.611 56.100 0.010 0.000 0.951 242 R CB -0.398 29.912 30.300 0.017 0.000 0.851 242 R HN 0.280 nan 8.270 nan 0.000 0.434 243 R N 0.558 121.045 120.500 -0.022 0.000 2.091 243 R HA -0.146 4.194 4.340 -0.001 0.000 0.238 243 R C 2.143 178.416 176.300 -0.044 0.000 1.136 243 R CA 1.942 58.019 56.100 -0.039 0.000 0.959 243 R CB -0.114 30.151 30.300 -0.059 0.000 0.856 243 R HN 0.318 nan 8.270 nan 0.000 0.437 244 R N -0.455 120.012 120.500 -0.055 0.000 2.115 244 R HA 0.002 4.342 4.340 -0.001 0.000 0.226 244 R C 2.300 178.633 176.300 0.056 0.000 1.100 244 R CA 1.005 57.063 56.100 -0.070 0.000 0.980 244 R CB -0.194 29.981 30.300 -0.209 0.000 0.875 244 R HN 0.221 nan 8.270 nan 0.000 0.445 245 A N 0.831 123.705 122.820 0.091 0.000 1.873 245 A HA -0.099 4.221 4.320 -0.001 0.000 0.215 245 A C 2.324 179.913 177.584 0.009 0.000 1.186 245 A CA 1.241 53.322 52.037 0.072 0.000 0.616 245 A CB -0.507 18.484 19.000 -0.015 0.000 0.823 245 A HN 0.092 nan 8.150 nan 0.000 0.442 246 V N 0.063 119.975 119.914 -0.003 0.000 2.343 246 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 246 V C 2.587 178.680 176.094 -0.002 0.000 1.051 246 V CA 2.427 64.721 62.300 -0.010 0.000 1.036 246 V CB -0.697 31.119 31.823 -0.012 0.000 0.654 246 V HN 0.715 nan 8.190 nan 0.000 0.451 247 E N 0.118 120.316 120.200 -0.003 0.000 2.150 247 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 247 E C 1.890 178.503 176.600 0.021 0.000 0.985 247 E CA 1.011 57.409 56.400 -0.003 0.000 0.814 247 E CB -0.324 29.358 29.700 -0.030 0.000 0.752 247 E HN 0.454 nan 8.360 nan 0.000 0.466 248 L N -0.302 120.953 121.223 0.053 0.000 2.056 248 L HA 0.060 4.399 4.340 -0.001 0.000 0.207 248 L C 2.162 179.050 176.870 0.031 0.000 1.078 248 L CA 2.269 57.155 54.840 0.078 0.000 0.749 248 L CB -1.014 41.128 42.059 0.138 0.000 0.901 248 L HN 0.231 nan 8.230 nan 0.000 0.433 249 G N -0.850 107.955 108.800 0.008 0.000 2.446 249 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.217 249 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.217 249 G C 1.824 176.732 174.900 0.013 0.000 1.168 249 G CA 0.843 45.944 45.100 0.001 0.000 0.771 249 G HN 0.401 nan 8.290 nan 0.000 0.551 250 R N 0.317 120.825 120.500 0.013 0.000 2.096 250 R HA -0.035 4.305 4.340 -0.001 0.000 0.235 250 R C 2.276 178.589 176.300 0.021 0.000 1.127 250 R CA 1.225 57.333 56.100 0.014 0.000 0.968 250 R CB -0.293 30.012 30.300 0.009 0.000 0.861 250 R HN 0.317 nan 8.270 nan 0.000 0.440 251 N N 0.334 119.050 118.700 0.027 0.000 2.309 251 N HA -0.114 4.625 4.740 -0.001 0.000 0.182 251 N C 0.877 176.410 175.510 0.038 0.000 1.018 251 N CA 0.916 53.987 53.050 0.035 0.000 0.876 251 N CB 0.148 38.662 38.487 0.046 0.000 0.972 251 N HN 0.261 nan 8.380 nan 0.000 0.434 252 L N 1.141 122.385 121.223 0.034 0.000 2.872 252 L HA 0.206 4.545 4.340 -0.001 0.000 0.245 252 L C -0.318 176.571 176.870 0.032 0.000 1.211 252 L CA -0.209 54.652 54.840 0.036 0.000 1.013 252 L CB -0.190 41.891 42.059 0.036 0.000 1.326 252 L HN 0.007 nan 8.230 nan 0.000 0.525 253 N N -0.328 118.389 118.700 0.029 0.000 2.705 253 N HA -0.183 4.557 4.740 -0.001 0.000 0.255 253 N C -0.285 175.242 175.510 0.029 0.000 1.008 253 N CA 0.549 53.615 53.050 0.027 0.000 0.742 253 N CB -1.665 36.838 38.487 0.028 0.000 0.906 253 N HN 0.304 nan 8.380 nan 0.000 0.541 254 c N 0.834 119.451 118.600 0.027 0.000 2.398 254 c HA 0.284 4.854 4.570 -0.001 0.000 0.364 254 c C 1.315 175.422 174.090 0.029 0.000 1.219 254 c CA -1.061 55.287 56.329 0.032 0.000 2.312 254 c CB 1.196 43.722 42.510 0.027 0.000 2.428 254 c HN 0.448 nan 8.230 nan 0.000 0.564 255 N N 1.744 120.466 118.700 0.036 0.000 2.483 255 N HA 0.104 4.843 4.740 -0.001 0.000 0.264 255 N C -0.030 175.493 175.510 0.022 0.000 1.197 255 N CA 0.287 53.354 53.050 0.028 0.000 0.927 255 N CB 0.476 38.982 38.487 0.032 0.000 1.065 255 N HN 0.643 nan 8.380 nan 0.000 0.461 256 L N 3.085 124.316 121.223 0.014 0.000 2.818 256 L HA 0.217 4.556 4.340 -0.001 0.000 0.243 256 L C 1.304 178.177 176.870 0.006 0.000 1.185 256 L CA -0.112 54.733 54.840 0.008 0.000 0.988 256 L CB -0.240 41.822 42.059 0.005 0.000 1.292 256 L HN 0.532 nan 8.230 nan 0.000 0.519 257 N N 0.141 118.845 118.700 0.007 0.000 2.309 257 N HA -0.083 4.657 4.740 -0.001 0.000 0.182 257 N C 0.464 175.976 175.510 0.003 0.000 1.018 257 N CA 0.894 53.947 53.050 0.004 0.000 0.876 257 N CB 0.251 38.740 38.487 0.004 0.000 0.972 257 N HN 0.348 nan 8.380 nan 0.000 0.434 258 S N -1.451 114.251 115.700 0.004 0.000 2.579 258 S HA 0.287 4.756 4.470 -0.001 0.000 0.272 258 S C -0.306 174.296 174.600 0.003 0.000 1.141 258 S CA -0.942 57.259 58.200 0.002 0.000 0.843 258 S CB 1.916 65.118 63.200 0.002 0.000 1.122 258 S HN -0.201 nan 8.310 nan 0.000 0.468 259 D N 1.203 121.602 120.400 -0.001 0.000 2.123 259 D HA -0.072 4.568 4.640 -0.001 0.000 0.196 259 D C 1.547 177.853 176.300 0.009 0.000 0.992 259 D CA 1.863 55.860 54.000 -0.005 0.000 0.833 259 D CB -0.238 40.556 40.800 -0.010 0.000 0.954 259 D HN 0.740 nan 8.370 nan 0.000 0.455 260 E N 0.800 121.010 120.200 0.017 0.000 2.085 260 E HA -0.144 4.206 4.350 -0.001 0.000 0.194 260 E C 2.017 178.654 176.600 0.062 0.000 0.994 260 E CA 0.827 57.249 56.400 0.037 0.000 0.801 260 E CB -0.112 29.600 29.700 0.021 0.000 0.743 260 E HN 0.304 nan 8.360 nan 0.000 0.453 261 E N 0.254 120.478 120.200 0.040 0.000 2.047 261 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 261 E C 2.148 178.795 176.600 0.078 0.000 0.987 261 E CA 0.670 57.102 56.400 0.054 0.000 0.799 261 E CB -0.313 29.402 29.700 0.026 0.000 0.752 261 E HN 0.181 nan 8.360 nan 0.000 0.449 262 L N 1.256 122.503 121.223 0.040 0.000 2.017 262 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 262 L C 2.242 179.126 176.870 0.024 0.000 1.073 262 L CA 1.506 56.357 54.840 0.019 0.000 0.745 262 L CB -0.591 41.457 42.059 -0.018 0.000 0.894 262 L HN 0.045 nan 8.230 nan 0.000 0.432 263 I N -0.938 119.649 120.570 0.028 0.000 2.226 263 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 263 I C 2.619 178.817 176.117 0.135 0.000 1.100 263 I CA 1.464 62.798 61.300 0.057 0.000 1.374 263 I CB -0.650 37.387 38.000 0.062 0.000 1.057 263 I HN 0.482 nan 8.210 nan 0.000 0.413 264 H N 0.467 119.574 119.070 0.062 0.000 2.319 264 H HA -0.269 4.287 4.556 -0.001 0.000 0.299 264 H C 2.477 177.843 175.328 0.063 0.000 1.092 264 H CA 2.302 58.387 56.048 0.061 0.000 1.302 264 H CB -0.221 29.564 29.762 0.038 0.000 1.373 264 H HN 0.504 nan 8.280 nan 0.000 0.497 265 c N 1.005 119.662 118.600 0.095 0.000 2.413 265 c HA -0.126 4.444 4.570 -0.001 0.000 0.276 265 c C 3.085 177.181 174.090 0.010 0.000 1.236 265 c CA 1.016 57.372 56.329 0.045 0.000 1.735 265 c CB -1.422 41.133 42.510 0.076 0.000 2.031 265 c HN 0.578 nan 8.230 nan 0.000 0.474 266 L N 0.172 121.430 121.223 0.057 0.000 2.131 266 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 266 L C 2.956 179.921 176.870 0.159 0.000 1.092 266 L CA 1.480 56.395 54.840 0.125 0.000 0.759 266 L CB -0.692 41.449 42.059 0.136 0.000 0.903 266 L HN 0.375 nan 8.230 nan 0.000 0.435 267 R N -0.353 120.206 120.500 0.098 0.000 2.235 267 R HA -0.084 4.256 4.340 -0.001 0.000 0.213 267 R C 1.775 178.018 176.300 -0.094 0.000 1.059 267 R CA 0.537 56.619 56.100 -0.031 0.000 0.997 267 R CB 0.026 30.288 30.300 -0.062 0.000 0.884 267 R HN 0.310 nan 8.270 nan 0.000 0.462 268 E N 0.606 120.736 120.200 -0.117 0.000 2.442 268 E HA 0.009 4.358 4.350 -0.001 0.000 0.195 268 E C 0.034 176.617 176.600 -0.028 0.000 1.030 268 E CA 0.543 56.886 56.400 -0.095 0.000 0.869 268 E CB 0.262 29.896 29.700 -0.111 0.000 0.857 268 E HN 0.058 nan 8.360 nan 0.000 0.505 269 K N 1.520 121.919 120.400 -0.001 0.000 2.270 269 K HA 0.127 4.447 4.320 -0.001 0.000 0.276 269 K C 0.314 176.940 176.600 0.044 0.000 1.023 269 K CA -0.177 56.127 56.287 0.028 0.000 0.955 269 K CB 0.798 33.323 32.500 0.043 0.000 0.975 269 K HN -0.253 nan 8.250 nan 0.000 0.471 270 K N 2.507 122.937 120.400 0.050 0.000 2.319 270 K HA 0.051 4.371 4.320 -0.001 0.000 0.265 270 K C -1.568 175.103 176.600 0.119 0.000 1.000 270 K CA -1.061 55.262 56.287 0.059 0.000 0.943 270 K CB 0.012 32.539 32.500 0.045 0.000 0.950 270 K HN 0.433 nan 8.250 nan 0.000 0.485 271 P HA -0.243 nan 4.420 nan 0.000 0.215 271 P C 1.459 178.943 177.300 0.307 0.000 1.163 271 P CA 1.215 64.500 63.100 0.309 0.000 0.894 271 P CB 0.120 31.846 31.700 0.043 0.000 0.791 272 Q N 0.089 119.988 119.800 0.166 0.000 2.297 272 Q HA -0.201 4.138 4.340 -0.001 0.000 0.208 272 Q C 1.863 177.951 176.000 0.146 0.000 0.981 272 Q CA 1.641 57.533 55.803 0.148 0.000 0.876 272 Q CB -0.813 27.979 28.738 0.090 0.000 0.921 272 Q HN 0.380 nan 8.270 nan 0.000 0.446 273 E N -1.027 119.249 120.200 0.126 0.000 2.106 273 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 273 E C 1.557 178.221 176.600 0.107 0.000 0.984 273 E CA 0.808 57.269 56.400 0.102 0.000 0.806 273 E CB 0.020 29.767 29.700 0.077 0.000 0.750 273 E HN 0.238 nan 8.360 nan 0.000 0.458 274 L N 0.621 121.912 121.223 0.113 0.000 2.044 274 L HA -0.119 4.221 4.340 -0.001 0.000 0.205 274 L C 2.212 179.153 176.870 0.117 0.000 1.075 274 L CA 1.389 56.263 54.840 0.055 0.000 0.747 274 L CB -0.479 41.514 42.059 -0.111 0.000 0.903 274 L HN 0.130 nan 8.230 nan 0.000 0.435 275 I N -0.429 120.269 120.570 0.214 0.000 2.208 275 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 275 I C 1.894 178.170 176.117 0.265 0.000 1.097 275 I CA 1.134 62.597 61.300 0.272 0.000 1.363 275 I CB -0.431 37.766 38.000 0.329 0.000 1.051 275 I HN 0.249 nan 8.210 nan 0.000 0.413 276 D N 0.268 120.799 120.400 0.218 0.000 2.265 276 D HA -0.124 4.516 4.640 -0.001 0.000 0.208 276 D C 1.864 178.287 176.300 0.205 0.000 0.977 276 D CA 1.495 55.621 54.000 0.211 0.000 0.871 276 D CB 0.043 40.932 40.800 0.149 0.000 0.925 276 D HN 0.410 nan 8.370 nan 0.000 0.485 277 V N -2.937 117.078 119.914 0.167 0.000 3.477 277 V HA 0.208 4.328 4.120 -0.001 0.000 0.297 277 V C 1.752 177.920 176.094 0.123 0.000 1.433 277 V CA -0.078 62.308 62.300 0.143 0.000 1.052 277 V CB 0.384 32.269 31.823 0.103 0.000 0.895 277 V HN -0.085 nan 8.190 nan 0.000 0.438 278 E N 0.913 121.175 120.200 0.104 0.000 2.086 278 E HA -0.284 4.065 4.350 -0.001 0.000 0.200 278 E C 1.548 178.012 176.600 -0.225 0.000 1.012 278 E CA 2.786 59.177 56.400 -0.015 0.000 0.812 278 E CB -0.231 29.383 29.700 -0.144 0.000 0.743 278 E HN 0.818 nan 8.360 nan 0.000 0.453 279 W N 0.720 122.024 121.300 0.007 0.000 2.699 279 W HA 0.002 4.662 4.660 -0.001 0.000 0.249 279 W C 1.721 178.209 176.519 -0.052 0.000 1.280 279 W CA 0.087 57.392 57.345 -0.068 0.000 1.345 279 W CB -0.019 29.380 29.460 -0.103 0.000 1.128 279 W HN 0.113 nan 8.180 nan 0.000 0.642 280 N N 0.061 118.833 118.700 0.120 0.000 2.459 280 N HA -0.101 4.639 4.740 -0.001 0.000 0.181 280 N C 1.768 177.278 175.510 -0.002 0.000 1.046 280 N CA 1.444 54.536 53.050 0.070 0.000 0.904 280 N CB -0.550 37.978 38.487 0.068 0.000 0.964 280 N HN 0.239 nan 8.380 nan 0.000 0.444 281 V N -1.838 118.038 119.914 -0.063 0.000 3.649 281 V HA 0.235 4.355 4.120 -0.001 0.000 0.275 281 V C 0.770 176.754 176.094 -0.184 0.000 1.281 281 V CA -0.104 62.120 62.300 -0.127 0.000 1.143 281 V CB -0.793 30.931 31.823 -0.165 0.000 0.892 281 V HN -0.004 nan 8.190 nan 0.000 0.441 282 L N 2.267 123.401 121.223 -0.148 0.000 2.485 282 L HA 0.185 4.524 4.340 -0.001 0.000 0.275 282 L C -0.307 176.436 176.870 -0.212 0.000 1.207 282 L CA -0.742 54.005 54.840 -0.155 0.000 0.855 282 L CB 0.643 42.679 42.059 -0.037 0.000 1.114 282 L HN 0.172 nan 8.230 nan 0.000 0.485 283 P HA -0.016 nan 4.420 nan 0.000 0.224 283 P C -0.238 176.635 177.300 -0.711 0.000 1.157 283 P CA 1.013 63.720 63.100 -0.655 0.000 0.799 283 P CB 0.332 31.407 31.700 -1.042 0.000 0.809 284 F N -0.412 119.534 119.950 -0.007 0.000 2.611 284 F HA 0.387 4.914 4.527 -0.001 0.000 0.324 284 F C 0.435 176.238 175.800 0.006 0.000 1.061 284 F CA -1.672 56.329 58.000 0.003 0.000 0.954 284 F CB 0.196 39.202 39.000 0.009 0.000 1.301 284 F HN -0.355 nan 8.300 nan 0.000 0.482 285 D N 1.390 121.924 120.400 0.222 0.000 2.358 285 D HA 0.384 5.024 4.640 -0.001 0.000 0.258 285 D C -0.529 175.843 176.300 0.119 0.000 1.223 285 D CA 0.555 54.627 54.000 0.121 0.000 0.886 285 D CB 0.381 41.233 40.800 0.087 0.000 1.120 285 D HN 0.649 nan 8.370 nan 0.000 0.482 286 S N 2.518 118.274 115.700 0.093 0.000 2.643 286 S HA 0.675 5.145 4.470 -0.001 0.000 0.270 286 S C -1.076 173.549 174.600 0.041 0.000 1.166 286 S CA -0.957 57.288 58.200 0.075 0.000 0.815 286 S CB 0.974 64.246 63.200 0.122 0.000 1.139 286 S HN 0.270 nan 8.310 nan 0.000 0.472 287 I N 0.601 121.190 120.570 0.032 0.000 2.647 287 I HA 0.739 4.909 4.170 -0.001 0.000 0.295 287 I C -0.810 175.324 176.117 0.028 0.000 1.078 287 I CA -0.530 60.790 61.300 0.032 0.000 1.048 287 I CB 1.570 39.597 38.000 0.046 0.000 1.239 287 I HN 0.862 nan 8.210 nan 0.000 0.421 288 F N 5.226 125.020 119.950 -0.260 0.000 3.080 288 F HA -0.215 4.311 4.527 -0.001 0.000 0.292 288 F C -0.485 174.800 175.800 -0.859 0.000 0.891 288 F CA 0.413 58.012 58.000 -0.669 0.000 1.086 288 F CB -0.643 37.920 39.000 -0.729 0.000 1.095 288 F HN 0.418 nan 8.300 nan 0.000 0.633 289 R N 0.599 120.688 120.500 -0.685 0.000 2.574 289 R HA 0.593 4.933 4.340 -0.001 0.000 0.288 289 R C -0.975 174.929 176.300 -0.661 0.000 1.004 289 R CA -0.541 55.225 56.100 -0.556 0.000 0.895 289 R CB 1.247 31.480 30.300 -0.112 0.000 1.191 289 R HN -0.015 nan 8.270 nan 0.000 0.444 290 F N -0.552 119.494 119.950 0.160 0.000 2.522 290 F HA 0.388 4.915 4.527 -0.001 0.000 0.324 290 F C 1.652 177.350 175.800 -0.171 0.000 1.077 290 F CA -0.870 57.133 58.000 0.005 0.000 0.944 290 F CB 1.634 40.753 39.000 0.197 0.000 1.175 290 F HN 0.354 nan 8.300 nan 0.000 0.468 291 S N 0.628 116.160 115.700 -0.280 0.000 2.345 291 S HA -0.036 4.434 4.470 -0.001 0.000 0.220 291 S C 0.065 174.215 174.600 -0.750 0.000 1.031 291 S CA 1.221 59.046 58.200 -0.625 0.000 0.996 291 S CB -0.244 62.376 63.200 -0.968 0.000 0.882 291 S HN 0.338 nan 8.310 nan 0.000 0.445 292 F N 1.676 121.643 119.950 0.028 0.000 2.347 292 F HA 0.556 5.082 4.527 -0.001 0.000 0.366 292 F C 0.021 175.851 175.800 0.051 0.000 1.107 292 F CA -1.021 57.031 58.000 0.088 0.000 1.058 292 F CB 1.098 40.189 39.000 0.152 0.000 1.236 292 F HN -0.093 nan 8.300 nan 0.000 0.456 293 V N 0.796 120.717 119.914 0.011 0.000 3.167 293 V HA 0.755 4.875 4.120 -0.001 0.000 0.310 293 V C -2.887 172.967 176.094 -0.399 0.000 1.207 293 V CA -3.330 58.687 62.300 -0.471 0.000 1.059 293 V CB 1.973 33.646 31.823 -0.250 0.000 1.079 293 V HN 0.249 nan 8.190 nan 0.000 0.446 294 P HA 0.202 nan 4.420 nan 0.000 0.266 294 P C -0.586 176.658 177.300 -0.094 0.000 1.186 294 P CA 0.358 63.319 63.100 -0.231 0.000 0.767 294 P CB 0.358 31.843 31.700 -0.358 0.000 0.820 295 V N 1.102 121.050 119.914 0.056 0.000 2.628 295 V HA 0.414 4.534 4.120 -0.001 0.000 0.306 295 V C 0.073 176.223 176.094 0.093 0.000 1.045 295 V CA -0.858 61.456 62.300 0.022 0.000 0.905 295 V CB 1.719 33.564 31.823 0.037 0.000 0.997 295 V HN 0.234 nan 8.190 nan 0.000 0.436 296 I N 5.011 125.561 120.570 -0.033 0.000 2.357 296 I HA 0.174 4.343 4.170 -0.001 0.000 0.300 296 I C 0.825 176.961 176.117 0.030 0.000 1.159 296 I CA 0.322 61.624 61.300 0.004 0.000 1.339 296 I CB 0.042 37.964 38.000 -0.130 0.000 1.458 296 I HN 0.978 nan 8.210 nan 0.000 0.577 297 D N 3.402 123.892 120.400 0.150 0.000 2.379 297 D HA 0.081 4.721 4.640 -0.001 0.000 0.208 297 D C 1.351 177.677 176.300 0.044 0.000 1.065 297 D CA 0.644 54.643 54.000 -0.002 0.000 0.848 297 D CB 0.589 41.459 40.800 0.117 0.000 0.949 297 D HN 0.650 nan 8.370 nan 0.000 0.509 298 G N 0.398 109.269 108.800 0.118 0.000 2.176 298 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.253 298 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.253 298 G C 0.758 175.731 174.900 0.121 0.000 0.979 298 G CA 0.634 45.800 45.100 0.111 0.000 0.641 298 G HN 0.475 nan 8.290 nan 0.000 0.530 299 E N -1.620 118.664 120.200 0.140 0.000 2.941 299 E HA 0.391 4.741 4.350 -0.001 0.000 0.180 299 E C 1.702 178.323 176.600 0.036 0.000 1.130 299 E CA -0.205 56.251 56.400 0.094 0.000 1.243 299 E CB -0.079 29.693 29.700 0.119 0.000 1.582 299 E HN 0.174 nan 8.360 nan 0.000 0.499 300 F N 0.993 120.866 119.950 -0.128 0.000 2.134 300 F HA -0.009 4.518 4.527 -0.001 0.000 0.299 300 F C 0.142 175.634 175.800 -0.513 0.000 1.097 300 F CA 1.147 58.926 58.000 -0.368 0.000 1.264 300 F CB 0.300 38.976 39.000 -0.540 0.000 1.001 300 F HN -0.128 nan 8.300 nan 0.000 0.479 301 F N 1.471 121.567 119.950 0.244 0.000 2.375 301 F HA 0.346 4.873 4.527 -0.001 0.000 0.361 301 F C -1.466 174.375 175.800 0.069 0.000 1.117 301 F CA -2.917 55.164 58.000 0.136 0.000 1.037 301 F CB 0.624 39.699 39.000 0.126 0.000 1.192 301 F HN -0.233 nan 8.300 nan 0.000 0.452 302 P HA -0.052 nan 4.420 nan 0.000 0.217 302 P C 0.347 177.707 177.300 0.100 0.000 1.151 302 P CA 1.276 64.438 63.100 0.103 0.000 0.828 302 P CB 0.311 32.042 31.700 0.053 0.000 0.788 303 T N -4.405 110.216 114.554 0.112 0.000 2.654 303 T HA 0.429 4.779 4.350 -0.001 0.000 0.289 303 T C -0.185 174.556 174.700 0.067 0.000 1.062 303 T CA -0.617 61.526 62.100 0.072 0.000 1.041 303 T CB 0.905 69.801 68.868 0.047 0.000 1.417 303 T HN 0.056 nan 8.240 nan 0.000 0.510 304 S N 0.068 115.782 115.700 0.024 0.000 2.563 304 S HA 0.142 4.612 4.470 -0.001 0.000 0.284 304 S C 1.492 176.090 174.600 -0.004 0.000 1.331 304 S CA -0.700 57.491 58.200 -0.016 0.000 1.047 304 S CB -0.376 62.810 63.200 -0.022 0.000 0.859 304 S HN 0.656 nan 8.310 nan 0.000 0.514 305 L N 0.624 121.808 121.223 -0.066 0.000 2.042 305 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 305 L C 2.940 179.837 176.870 0.046 0.000 1.076 305 L CA 2.023 56.841 54.840 -0.037 0.000 0.749 305 L CB -0.776 41.196 42.059 -0.147 0.000 0.893 305 L HN 0.823 nan 8.230 nan 0.000 0.432 306 E N 0.621 120.844 120.200 0.038 0.000 2.077 306 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 306 E C 2.230 178.887 176.600 0.094 0.000 0.989 306 E CA 1.767 58.222 56.400 0.092 0.000 0.800 306 E CB -0.071 29.671 29.700 0.069 0.000 0.746 306 E HN 0.496 nan 8.360 nan 0.000 0.452 307 S N -0.673 115.065 115.700 0.064 0.000 2.406 307 S HA -0.097 4.373 4.470 -0.001 0.000 0.228 307 S C 2.116 176.756 174.600 0.067 0.000 1.020 307 S CA 1.001 59.236 58.200 0.058 0.000 0.965 307 S CB -0.299 62.922 63.200 0.036 0.000 0.798 307 S HN 0.227 nan 8.310 nan 0.000 0.488 308 M N 1.075 120.730 119.600 0.092 0.000 2.099 308 M HA 0.050 4.529 4.480 -0.001 0.000 0.262 308 M C 2.196 178.621 176.300 0.208 0.000 1.067 308 M CA 1.423 56.799 55.300 0.127 0.000 1.124 308 M CB -0.646 32.061 32.600 0.178 0.000 1.353 308 M HN 0.296 nan 8.290 nan 0.000 0.410 309 L N -0.007 121.352 121.223 0.227 0.000 2.083 309 L HA -0.252 4.087 4.340 -0.001 0.000 0.209 309 L C 2.203 179.239 176.870 0.277 0.000 1.083 309 L CA 0.953 55.966 54.840 0.289 0.000 0.752 309 L CB -0.831 41.312 42.059 0.140 0.000 0.899 309 L HN 0.377 nan 8.230 nan 0.000 0.433 310 N N -0.311 118.488 118.700 0.166 0.000 2.188 310 N HA -0.132 4.607 4.740 -0.001 0.000 0.184 310 N C 1.920 177.503 175.510 0.121 0.000 1.018 310 N CA 1.693 54.836 53.050 0.155 0.000 0.858 310 N CB -0.095 38.459 38.487 0.112 0.000 0.989 310 N HN 0.339 nan 8.380 nan 0.000 0.426 311 S N -1.036 114.653 115.700 -0.019 0.000 2.575 311 S HA 0.246 4.716 4.470 -0.001 0.000 0.215 311 S C 1.270 175.510 174.600 -0.600 0.000 0.966 311 S CA 0.445 58.552 58.200 -0.155 0.000 0.911 311 S CB 0.158 63.294 63.200 -0.106 0.000 0.780 311 S HN 0.380 nan 8.310 nan 0.000 0.514 312 G N 1.994 110.206 108.800 -0.980 0.000 2.153 312 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.252 312 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.252 312 G C 0.046 174.108 174.900 -1.397 0.000 0.994 312 G CA 0.126 43.987 45.100 -2.064 0.000 0.698 312 G HN 0.610 nan 8.290 nan 0.000 0.521 313 N N 0.660 118.971 118.700 -0.648 0.000 2.819 313 N HA 0.479 5.219 4.740 -0.001 0.000 0.284 313 N C -0.144 175.326 175.510 -0.068 0.000 1.196 313 N CA 0.056 52.918 53.050 -0.314 0.000 1.114 313 N CB -0.969 37.458 38.487 -0.100 0.000 1.437 313 N HN 0.691 nan 8.380 nan 0.000 0.518 314 F N -1.202 118.687 119.950 -0.102 0.000 2.770 314 F HA 0.404 4.931 4.527 -0.000 0.000 0.313 314 F C -0.273 175.542 175.800 0.024 0.000 1.154 314 F CA -1.444 56.569 58.000 0.021 0.000 0.923 314 F CB 0.628 39.704 39.000 0.126 0.000 1.301 314 F HN -0.172 nan 8.300 nan 0.000 0.449 315 K N 1.851 122.490 120.400 0.397 0.000 2.451 315 K HA 0.195 4.515 4.320 -0.001 0.000 0.280 315 K C -0.994 175.832 176.600 0.377 0.000 1.020 315 K CA -0.149 56.284 56.287 0.244 0.000 1.008 315 K CB 0.512 33.112 32.500 0.166 0.000 0.917 315 K HN 0.752 nan 8.250 nan 0.000 0.478 316 K N 3.006 123.511 120.400 0.175 0.000 2.263 316 K HA 0.185 4.504 4.320 -0.001 0.000 0.272 316 K C -0.267 176.453 176.600 0.200 0.000 1.033 316 K CA -0.396 55.999 56.287 0.180 0.000 0.884 316 K CB 1.837 34.347 32.500 0.018 0.000 1.107 316 K HN 0.645 nan 8.250 nan 0.000 0.460 317 T N 1.379 116.139 114.554 0.343 0.000 2.647 317 T HA 0.204 4.554 4.350 -0.001 0.000 0.302 317 T C -1.527 173.378 174.700 0.341 0.000 1.389 317 T CA -0.630 61.621 62.100 0.252 0.000 1.037 317 T CB 0.859 69.842 68.868 0.191 0.000 1.755 317 T HN 0.415 nan 8.240 nan 0.000 0.467 318 Q N 0.913 120.878 119.800 0.274 0.000 2.226 318 Q HA 0.785 5.124 4.340 -0.001 0.000 0.256 318 Q C -0.422 175.871 176.000 0.488 0.000 0.962 318 Q CA -0.535 55.488 55.803 0.367 0.000 0.887 318 Q CB 1.474 30.401 28.738 0.315 0.000 1.282 318 Q HN 0.699 nan 8.270 nan 0.000 0.449 319 I N -1.602 119.213 120.570 0.409 0.000 2.769 319 I HA 0.710 4.880 4.170 -0.001 0.000 0.298 319 I C -1.534 174.468 176.117 -0.192 0.000 1.128 319 I CA -1.374 60.020 61.300 0.156 0.000 1.031 319 I CB 1.917 39.828 38.000 -0.148 0.000 1.235 319 I HN 0.543 nan 8.210 nan 0.000 0.423 320 L N 6.677 127.537 121.223 -0.605 0.000 2.409 320 L HA 0.812 5.152 4.340 -0.001 0.000 0.272 320 L C -1.334 175.310 176.870 -0.377 0.000 0.980 320 L CA -0.517 53.868 54.840 -0.759 0.000 0.826 320 L CB 1.707 42.796 42.059 -1.617 0.000 1.268 320 L HN 0.858 nan 8.230 nan 0.000 0.407 321 L N 2.340 123.472 121.223 -0.152 0.000 2.720 321 L HA 1.106 5.445 4.340 -0.001 0.000 0.261 321 L C -0.844 175.806 176.870 -0.366 0.000 1.046 321 L CA -0.413 54.360 54.840 -0.111 0.000 0.886 321 L CB 1.878 43.870 42.059 -0.111 0.000 1.493 321 L HN 0.687 nan 8.230 nan 0.000 0.407 322 G N -0.161 108.233 108.800 -0.676 0.000 2.342 322 G HA2 0.586 4.545 3.960 -0.001 0.000 0.297 322 G HA3 0.586 4.545 3.960 -0.001 0.000 0.297 322 G C -1.554 173.016 174.900 -0.550 0.000 1.313 322 G CA 0.008 44.353 45.100 -1.258 0.000 0.830 322 G HN 1.510 nan 8.290 nan 0.000 0.506 323 V N -2.500 117.256 119.914 -0.264 0.000 3.160 323 V HA 0.873 4.993 4.120 -0.001 0.000 0.310 323 V C -1.017 175.185 176.094 0.180 0.000 1.181 323 V CA -1.428 60.924 62.300 0.086 0.000 1.047 323 V CB 1.931 33.826 31.823 0.119 0.000 1.068 323 V HN 0.698 nan 8.190 nan 0.000 0.441 324 N N 0.793 119.609 118.700 0.195 0.000 2.472 324 N HA 0.435 5.174 4.740 -0.001 0.000 0.289 324 N C 0.552 176.026 175.510 -0.059 0.000 1.156 324 N CA -0.543 52.590 53.050 0.139 0.000 0.940 324 N CB 1.781 40.461 38.487 0.322 0.000 1.200 324 N HN 0.931 nan 8.380 nan 0.000 0.511 325 K N 0.042 120.300 120.400 -0.236 0.000 2.057 325 K HA -0.071 4.249 4.320 -0.001 0.000 0.207 325 K C -0.630 176.065 176.600 0.159 0.000 1.049 325 K CA 1.292 57.537 56.287 -0.070 0.000 0.931 325 K CB 0.190 32.675 32.500 -0.025 0.000 0.714 325 K HN 0.512 nan 8.250 nan 0.000 0.440 326 D N 1.262 121.752 120.400 0.150 0.000 2.795 326 D HA 0.036 4.675 4.640 -0.001 0.000 0.335 326 D C 0.124 176.550 176.300 0.208 0.000 1.262 326 D CA -0.090 54.016 54.000 0.175 0.000 0.885 326 D CB 1.257 42.137 40.800 0.134 0.000 1.047 326 D HN 0.178 nan 8.370 nan 0.000 0.500 327 E N 0.506 120.853 120.200 0.244 0.000 2.160 327 E HA -0.118 4.232 4.350 -0.001 0.000 0.195 327 E C 1.974 178.765 176.600 0.319 0.000 0.991 327 E CA 0.646 57.232 56.400 0.309 0.000 0.810 327 E CB 0.099 29.960 29.700 0.268 0.000 0.742 327 E HN 0.415 nan 8.360 nan 0.000 0.466 328 G N 1.241 110.196 108.800 0.257 0.000 2.712 328 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.212 328 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.212 328 G C 1.707 176.779 174.900 0.287 0.000 1.142 328 G CA 0.781 46.060 45.100 0.299 0.000 0.789 328 G HN 0.356 nan 8.290 nan 0.000 0.535 329 S N 0.507 116.325 115.700 0.196 0.000 2.383 329 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 329 S C 2.059 176.666 174.600 0.012 0.000 1.030 329 S CA 0.842 59.113 58.200 0.117 0.000 1.002 329 S CB -0.512 62.665 63.200 -0.038 0.000 0.829 329 S HN 0.121 nan 8.310 nan 0.000 0.467 330 F N 2.108 121.918 119.950 -0.233 0.000 2.126 330 F HA 0.060 4.586 4.527 -0.001 0.000 0.299 330 F C 1.754 177.255 175.800 -0.498 0.000 1.096 330 F CA 0.263 57.956 58.000 -0.511 0.000 1.255 330 F CB -0.870 37.664 39.000 -0.777 0.000 0.997 330 F HN 0.199 nan 8.300 nan 0.000 0.479 331 F N -0.830 119.132 119.950 0.020 0.000 2.293 331 F HA -0.069 4.458 4.527 -0.001 0.000 0.297 331 F C 2.254 178.024 175.800 -0.049 0.000 1.089 331 F CA 0.637 58.582 58.000 -0.092 0.000 1.377 331 F CB -0.961 37.903 39.000 -0.226 0.000 1.051 331 F HN -0.128 nan 8.300 nan 0.000 0.511 332 L N -0.650 120.585 121.223 0.020 0.000 2.072 332 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 332 L C 2.459 179.207 176.870 -0.204 0.000 1.079 332 L CA 0.543 55.166 54.840 -0.361 0.000 0.752 332 L CB -0.623 40.866 42.059 -0.950 0.000 0.906 332 L HN 0.163 nan 8.230 nan 0.000 0.436 333 L N -0.779 120.529 121.223 0.142 0.000 1.990 333 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 333 L C 2.318 179.349 176.870 0.269 0.000 1.072 333 L CA 2.111 57.182 54.840 0.385 0.000 0.755 333 L CB -0.763 41.528 42.059 0.386 0.000 0.889 333 L HN 0.125 nan 8.230 nan 0.000 0.432 334 Y N -0.694 119.671 120.300 0.108 0.000 2.395 334 Y HA 0.184 4.734 4.550 -0.001 0.000 0.293 334 Y C 2.254 178.147 175.900 -0.011 0.000 1.123 334 Y CA 1.062 59.193 58.100 0.050 0.000 1.227 334 Y CB -0.211 38.226 38.460 -0.038 0.000 1.012 334 Y HN 0.310 nan 8.280 nan 0.000 0.552 335 G N -1.645 107.232 108.800 0.127 0.000 3.651 335 G HA2 0.497 4.457 3.960 -0.001 0.000 0.267 335 G HA3 0.497 4.457 3.960 -0.001 0.000 0.267 335 G C -0.289 174.641 174.900 0.051 0.000 1.009 335 G CA 0.379 45.513 45.100 0.056 0.000 0.866 335 G HN 0.257 nan 8.290 nan 0.000 0.488 336 A N 1.378 124.242 122.820 0.074 0.000 2.350 336 A HA 0.851 5.170 4.320 -0.001 0.000 0.324 336 A C -2.673 175.065 177.584 0.255 0.000 1.118 336 A CA -1.600 50.515 52.037 0.130 0.000 0.783 336 A CB 1.749 20.799 19.000 0.084 0.000 1.236 336 A HN 0.040 nan 8.150 nan 0.000 0.457 337 P HA 0.292 nan 4.420 nan 0.000 0.268 337 P C 0.854 178.221 177.300 0.112 0.000 1.205 337 P CA 1.454 64.631 63.100 0.128 0.000 0.771 337 P CB 1.126 32.867 31.700 0.068 0.000 0.858 338 G N 1.609 110.418 108.800 0.016 0.000 2.213 338 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.236 338 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.236 338 G C -0.233 174.469 174.900 -0.331 0.000 0.991 338 G CA -0.470 44.525 45.100 -0.175 0.000 0.629 338 G HN 0.441 nan 8.290 nan 0.000 0.517 339 F N 2.165 122.057 119.950 -0.096 0.000 2.421 339 F HA 0.671 5.198 4.527 -0.001 0.000 0.337 339 F C 0.802 176.615 175.800 0.021 0.000 1.105 339 F CA 0.130 58.045 58.000 -0.142 0.000 1.049 339 F CB 2.215 41.171 39.000 -0.074 0.000 1.139 339 F HN 0.363 nan 8.300 nan 0.000 0.479 340 S N 1.410 117.261 115.700 0.252 0.000 2.570 340 S HA 0.340 4.810 4.470 -0.001 0.000 0.270 340 S C 0.194 175.032 174.600 0.398 0.000 1.149 340 S CA -1.148 57.222 58.200 0.284 0.000 0.837 340 S CB 2.036 65.323 63.200 0.145 0.000 1.124 340 S HN 0.695 nan 8.310 nan 0.000 0.465 341 K N 0.129 120.698 120.400 0.283 0.000 2.057 341 K HA -0.080 4.240 4.320 -0.001 0.000 0.207 341 K C 0.028 176.688 176.600 0.100 0.000 1.049 341 K CA 1.774 58.137 56.287 0.127 0.000 0.931 341 K CB -0.223 32.061 32.500 -0.360 0.000 0.714 341 K HN 0.657 nan 8.250 nan 0.000 0.440 342 D N 0.576 121.013 120.400 0.062 0.000 2.358 342 D HA 0.010 4.649 4.640 -0.001 0.000 0.224 342 D C 0.056 176.404 176.300 0.080 0.000 1.123 342 D CA 0.156 54.178 54.000 0.037 0.000 0.833 342 D CB 0.639 41.428 40.800 -0.019 0.000 0.946 342 D HN 0.183 nan 8.370 nan 0.000 0.505 343 S N -1.084 114.698 115.700 0.137 0.000 2.667 343 S HA 0.334 4.804 4.470 -0.001 0.000 0.292 343 S C 0.666 175.339 174.600 0.122 0.000 1.126 343 S CA -0.749 57.497 58.200 0.077 0.000 0.881 343 S CB 2.347 65.547 63.200 0.001 0.000 1.132 343 S HN -0.141 nan 8.310 nan 0.000 0.492 344 E N 0.738 120.958 120.200 0.033 0.000 2.516 344 E HA 0.088 4.437 4.350 -0.001 0.000 0.199 344 E C -0.372 176.019 176.600 -0.349 0.000 1.069 344 E CA 0.351 56.761 56.400 0.017 0.000 0.876 344 E CB -0.227 29.480 29.700 0.012 0.000 0.843 344 E HN 0.696 nan 8.360 nan 0.000 0.530 345 S N 1.176 116.612 115.700 -0.441 0.000 3.628 345 S HA -0.179 4.291 4.470 -0.001 0.000 0.373 345 S C -0.258 173.954 174.600 -0.647 0.000 0.968 345 S CA 0.672 58.442 58.200 -0.717 0.000 1.215 345 S CB -1.140 61.231 63.200 -1.381 0.000 0.912 345 S HN 0.287 nan 8.310 nan 0.000 0.495 346 K N 0.950 121.120 120.400 -0.384 0.000 2.339 346 K HA 0.306 4.626 4.320 -0.001 0.000 0.286 346 K C 0.254 176.660 176.600 -0.323 0.000 1.050 346 K CA -0.207 55.908 56.287 -0.287 0.000 0.956 346 K CB 0.438 32.835 32.500 -0.171 0.000 0.990 346 K HN 0.209 nan 8.250 nan 0.000 0.475 347 I N 2.769 123.152 120.570 -0.312 0.000 2.359 347 I HA 0.060 4.230 4.170 -0.001 0.000 0.294 347 I C 0.981 177.019 176.117 -0.132 0.000 0.987 347 I CA -0.344 60.789 61.300 -0.279 0.000 1.225 347 I CB 1.239 39.064 38.000 -0.291 0.000 1.366 347 I HN 0.664 nan 8.210 nan 0.000 0.466 348 S N 6.804 122.445 115.700 -0.098 0.000 2.608 348 S HA 0.297 4.767 4.470 -0.001 0.000 0.261 348 S C 1.260 175.862 174.600 0.003 0.000 1.314 348 S CA -0.480 57.689 58.200 -0.051 0.000 0.992 348 S CB 1.297 64.473 63.200 -0.039 0.000 0.935 348 S HN 0.481 nan 8.310 nan 0.000 0.564 349 R N 0.930 121.429 120.500 -0.001 0.000 2.105 349 R HA -0.072 4.267 4.340 -0.001 0.000 0.239 349 R C 2.253 178.626 176.300 0.121 0.000 1.135 349 R CA 1.876 57.998 56.100 0.036 0.000 0.967 349 R CB -1.272 29.038 30.300 0.017 0.000 0.861 349 R HN 0.954 nan 8.270 nan 0.000 0.442 350 E N 0.443 120.687 120.200 0.074 0.000 2.051 350 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 350 E C 0.977 177.626 176.600 0.081 0.000 0.991 350 E CA 1.381 57.825 56.400 0.073 0.000 0.799 350 E CB 0.069 29.793 29.700 0.039 0.000 0.748 350 E HN 0.197 nan 8.360 nan 0.000 0.449 351 D N -0.303 120.134 120.400 0.061 0.000 2.219 351 D HA -0.126 4.514 4.640 -0.001 0.000 0.205 351 D C 1.548 177.910 176.300 0.104 0.000 0.970 351 D CA 0.437 54.468 54.000 0.053 0.000 0.851 351 D CB -0.252 40.538 40.800 -0.016 0.000 0.943 351 D HN 0.201 nan 8.370 nan 0.000 0.488 352 F N 0.957 120.905 119.950 -0.003 0.000 2.102 352 F HA -0.124 4.402 4.527 -0.001 0.000 0.298 352 F C 2.268 178.092 175.800 0.040 0.000 1.105 352 F CA 1.272 59.285 58.000 0.021 0.000 1.239 352 F CB -0.129 38.862 39.000 -0.013 0.000 0.991 352 F HN -0.169 nan 8.300 nan 0.000 0.474 353 M N -0.161 119.549 119.600 0.182 0.000 2.229 353 M HA -0.152 4.327 4.480 -0.001 0.000 0.264 353 M C 2.353 178.650 176.300 -0.004 0.000 1.063 353 M CA 1.702 57.053 55.300 0.085 0.000 1.114 353 M CB -0.523 32.175 32.600 0.163 0.000 1.387 353 M HN 0.362 nan 8.290 nan 0.000 0.420 354 S N -0.203 115.506 115.700 0.015 0.000 2.428 354 S HA -0.012 4.457 4.470 -0.001 0.000 0.230 354 S C 1.961 176.548 174.600 -0.023 0.000 1.014 354 S CA 0.929 59.132 58.200 0.005 0.000 0.957 354 S CB -0.971 62.245 63.200 0.027 0.000 0.784 354 S HN 0.513 nan 8.310 nan 0.000 0.499 355 G N 1.944 110.716 108.800 -0.046 0.000 2.408 355 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 355 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 355 G C 1.598 176.402 174.900 -0.159 0.000 1.150 355 G CA 1.000 46.060 45.100 -0.066 0.000 0.776 355 G HN 0.799 nan 8.290 nan 0.000 0.542 356 V N 0.414 120.170 119.914 -0.264 0.000 2.427 356 V HA -0.030 4.090 4.120 -0.001 0.000 0.248 356 V C 2.530 178.547 176.094 -0.129 0.000 1.051 356 V CA 2.641 64.801 62.300 -0.233 0.000 1.048 356 V CB -0.503 31.170 31.823 -0.250 0.000 0.666 356 V HN 0.323 nan 8.190 nan 0.000 0.456 357 K N 0.213 120.556 120.400 -0.096 0.000 2.063 357 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 357 K C 1.885 178.439 176.600 -0.076 0.000 1.048 357 K CA 2.137 58.378 56.287 -0.077 0.000 0.928 357 K CB -0.714 31.760 32.500 -0.044 0.000 0.713 357 K HN 0.449 nan 8.250 nan 0.000 0.442 358 L N 0.763 121.954 121.223 -0.054 0.000 2.093 358 L HA -0.024 4.316 4.340 -0.001 0.000 0.208 358 L C 2.047 178.895 176.870 -0.036 0.000 1.085 358 L CA 1.663 56.486 54.840 -0.028 0.000 0.755 358 L CB -0.845 41.209 42.059 -0.009 0.000 0.904 358 L HN 0.194 nan 8.230 nan 0.000 0.435 359 S N -1.687 113.973 115.700 -0.068 0.000 2.436 359 S HA 0.045 4.515 4.470 -0.001 0.000 0.228 359 S C 0.938 175.466 174.600 -0.120 0.000 1.014 359 S CA 0.345 58.503 58.200 -0.071 0.000 0.950 359 S CB 0.250 63.389 63.200 -0.102 0.000 0.784 359 S HN 0.155 nan 8.310 nan 0.000 0.504 360 V N 3.266 123.070 119.914 -0.184 0.000 2.405 360 V HA 0.202 4.322 4.120 -0.001 0.000 0.253 360 V C -1.759 174.104 176.094 -0.385 0.000 0.963 360 V CA -1.373 60.715 62.300 -0.355 0.000 1.003 360 V CB 0.946 32.572 31.823 -0.328 0.000 1.251 360 V HN 0.164 nan 8.190 nan 0.000 0.520 361 P HA -0.198 nan 4.420 nan 0.000 0.217 361 P C 0.998 177.900 177.300 -0.663 0.000 1.148 361 P CA 1.513 64.412 63.100 -0.334 0.000 0.828 361 P CB -0.062 31.564 31.700 -0.123 0.000 0.783 362 H N -0.976 117.785 119.070 -0.516 0.000 2.669 362 H HA 0.567 5.123 4.556 -0.001 0.000 0.297 362 H C -0.109 175.055 175.328 -0.274 0.000 1.071 362 H CA -0.407 55.353 56.048 -0.480 0.000 1.182 362 H CB -0.547 29.067 29.762 -0.245 0.000 1.343 362 H HN -0.015 nan 8.280 nan 0.000 0.582 363 A N 1.950 124.493 122.820 -0.461 0.000 2.331 363 A HA 0.364 4.683 4.320 -0.001 0.000 0.320 363 A C -0.001 177.471 177.584 -0.187 0.000 1.138 363 A CA -0.946 50.905 52.037 -0.311 0.000 0.790 363 A CB 1.119 19.923 19.000 -0.327 0.000 1.206 363 A HN 0.600 nan 8.150 nan 0.000 0.470 364 N N 1.516 120.139 118.700 -0.128 0.000 2.294 364 N HA 0.096 4.836 4.740 -0.001 0.000 0.248 364 N C 0.011 175.483 175.510 -0.065 0.000 1.300 364 N CA -0.213 52.787 53.050 -0.083 0.000 0.925 364 N CB 0.219 38.669 38.487 -0.062 0.000 1.188 364 N HN 0.461 nan 8.380 nan 0.000 0.512 365 D N -0.887 119.490 120.400 -0.038 0.000 2.123 365 D HA -0.131 4.508 4.640 -0.001 0.000 0.196 365 D C 1.692 177.990 176.300 -0.004 0.000 0.992 365 D CA 0.822 54.812 54.000 -0.017 0.000 0.833 365 D CB -0.273 40.524 40.800 -0.006 0.000 0.954 365 D HN 0.469 nan 8.370 nan 0.000 0.455 366 L N 0.542 121.759 121.223 -0.011 0.000 2.046 366 L HA -0.008 4.331 4.340 -0.001 0.000 0.208 366 L C 2.184 179.060 176.870 0.010 0.000 1.077 366 L CA 2.094 56.936 54.840 0.003 0.000 0.747 366 L CB -0.894 41.157 42.059 -0.014 0.000 0.896 366 L HN 0.080 nan 8.230 nan 0.000 0.432 367 G N -0.588 108.193 108.800 -0.033 0.000 2.418 367 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 367 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 367 G C 1.599 176.505 174.900 0.009 0.000 1.158 367 G CA 1.025 46.099 45.100 -0.043 0.000 0.771 367 G HN 0.428 nan 8.290 nan 0.000 0.545 368 L N 0.456 121.675 121.223 -0.008 0.000 2.083 368 L HA -0.075 4.265 4.340 -0.001 0.000 0.209 368 L C 2.499 179.421 176.870 0.086 0.000 1.083 368 L CA 1.165 56.017 54.840 0.020 0.000 0.752 368 L CB -0.376 41.680 42.059 -0.005 0.000 0.899 368 L HN 0.099 nan 8.230 nan 0.000 0.433 369 D N 0.201 120.655 120.400 0.090 0.000 2.117 369 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 369 D C 2.240 178.642 176.300 0.170 0.000 0.987 369 D CA 1.475 55.552 54.000 0.128 0.000 0.829 369 D CB -0.029 40.828 40.800 0.094 0.000 0.961 369 D HN 0.310 nan 8.370 nan 0.000 0.460 370 A N 0.596 123.529 122.820 0.189 0.000 1.902 370 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 370 A C 2.542 180.277 177.584 0.251 0.000 1.181 370 A CA 1.315 53.529 52.037 0.295 0.000 0.623 370 A CB -0.749 18.508 19.000 0.429 0.000 0.818 370 A HN 0.146 nan 8.150 nan 0.000 0.443 371 V N -0.344 119.719 119.914 0.247 0.000 2.295 371 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 371 V C 2.750 178.957 176.094 0.189 0.000 1.049 371 V CA 2.490 64.874 62.300 0.140 0.000 1.024 371 V CB -1.371 30.550 31.823 0.164 0.000 0.648 371 V HN 0.600 nan 8.190 nan 0.000 0.447 372 T N 0.713 115.410 114.554 0.238 0.000 2.684 372 T HA -0.228 4.122 4.350 -0.001 0.000 0.267 372 T C 1.911 176.801 174.700 0.317 0.000 1.036 372 T CA 2.007 64.324 62.100 0.360 0.000 1.148 372 T CB -0.420 68.667 68.868 0.365 0.000 0.863 372 T HN 0.306 nan 8.240 nan 0.000 0.436 373 L N 1.175 122.576 121.223 0.296 0.000 2.079 373 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 373 L C 2.438 179.378 176.870 0.117 0.000 1.081 373 L CA 1.826 56.867 54.840 0.334 0.000 0.752 373 L CB -0.797 41.395 42.059 0.223 0.000 0.896 373 L HN 0.132 nan 8.230 nan 0.000 0.433 374 Q N -1.497 118.258 119.800 -0.075 0.000 2.167 374 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 374 Q C 1.111 176.865 176.000 -0.410 0.000 0.970 374 Q CA 1.794 57.374 55.803 -0.372 0.000 0.855 374 Q CB -0.156 28.051 28.738 -0.885 0.000 0.911 374 Q HN 0.699 nan 8.270 nan 0.000 0.438 375 Y N -1.265 118.988 120.300 -0.078 0.000 2.531 375 Y HA 0.331 4.881 4.550 -0.001 0.000 0.249 375 Y C -0.204 175.618 175.900 -0.131 0.000 1.168 375 Y CA -0.255 57.842 58.100 -0.005 0.000 1.226 375 Y CB 1.067 39.636 38.460 0.182 0.000 1.177 375 Y HN -0.180 nan 8.280 nan 0.000 0.527 376 T N 0.801 115.226 114.554 -0.216 0.000 2.795 376 T HA 0.101 4.450 4.350 -0.001 0.000 0.282 376 T C -0.832 173.455 174.700 -0.689 0.000 0.980 376 T CA -0.633 61.068 62.100 -0.665 0.000 1.012 376 T CB 1.035 69.184 68.868 -1.199 0.000 0.936 376 T HN 0.003 nan 8.240 nan 0.000 0.457 377 D N 1.987 122.042 120.400 -0.574 0.000 2.411 377 D HA 0.121 4.761 4.640 -0.001 0.000 0.225 377 D C 0.090 176.131 176.300 -0.431 0.000 1.156 377 D CA -0.808 52.973 54.000 -0.366 0.000 0.874 377 D CB 0.390 41.057 40.800 -0.222 0.000 1.034 377 D HN 0.597 nan 8.370 nan 0.000 0.502 378 W N 3.105 124.362 121.300 -0.072 0.000 2.721 378 W HA -0.008 4.652 4.660 -0.001 0.000 0.245 378 W C 1.904 178.392 176.519 -0.052 0.000 1.276 378 W CA 0.059 57.366 57.345 -0.063 0.000 1.342 378 W CB -0.146 29.283 29.460 -0.052 0.000 1.135 378 W HN 0.402 nan 8.180 nan 0.000 0.654 379 M N -0.699 118.951 119.600 0.084 0.000 2.556 379 M HA 0.080 4.559 4.480 -0.001 0.000 0.245 379 M C 0.084 176.388 176.300 0.006 0.000 1.128 379 M CA 1.139 56.470 55.300 0.052 0.000 1.069 379 M CB 0.062 32.678 32.600 0.026 0.000 1.469 379 M HN -0.186 nan 8.290 nan 0.000 0.494 380 D N 0.689 121.062 120.400 -0.045 0.000 3.453 380 D HA 0.001 4.641 4.640 -0.001 0.000 0.312 380 D C 0.301 176.516 176.300 -0.140 0.000 1.349 380 D CA 0.015 53.972 54.000 -0.072 0.000 0.739 380 D CB 0.258 41.017 40.800 -0.069 0.000 1.312 380 D HN 0.226 nan 8.370 nan 0.000 0.628 381 D N -0.858 119.453 120.400 -0.149 0.000 2.350 381 D HA -0.108 4.531 4.640 -0.001 0.000 0.216 381 D C 0.530 176.709 176.300 -0.203 0.000 0.968 381 D CA 0.190 54.031 54.000 -0.265 0.000 0.894 381 D CB 0.216 40.870 40.800 -0.242 0.000 0.909 381 D HN 0.152 nan 8.370 nan 0.000 0.520 382 N N 0.532 119.160 118.700 -0.119 0.000 2.230 382 N HA -0.021 4.719 4.740 -0.001 0.000 0.202 382 N C -0.233 175.219 175.510 -0.097 0.000 1.119 382 N CA -0.165 52.828 53.050 -0.095 0.000 0.851 382 N CB 0.053 38.509 38.487 -0.052 0.000 0.990 382 N HN 0.344 nan 8.380 nan 0.000 0.497 383 N N 0.247 118.878 118.700 -0.115 0.000 2.416 383 N HA 0.048 4.788 4.740 -0.001 0.000 0.265 383 N C 1.492 176.939 175.510 -0.106 0.000 1.195 383 N CA -0.225 52.767 53.050 -0.097 0.000 0.943 383 N CB 0.677 39.108 38.487 -0.094 0.000 1.115 383 N HN 0.057 nan 8.380 nan 0.000 0.481 384 G N 4.269 113.014 108.800 -0.092 0.000 2.442 384 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.219 384 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.219 384 G C 1.341 176.182 174.900 -0.098 0.000 1.141 384 G CA 0.508 45.544 45.100 -0.106 0.000 0.763 384 G HN 0.612 nan 8.290 nan 0.000 0.554 385 I N 0.708 121.238 120.570 -0.066 0.000 2.202 385 I HA -0.076 4.094 4.170 -0.001 0.000 0.242 385 I C 2.582 178.696 176.117 -0.005 0.000 1.091 385 I CA 1.224 62.506 61.300 -0.030 0.000 1.368 385 I CB -0.856 37.140 38.000 -0.007 0.000 1.058 385 I HN 0.207 nan 8.210 nan 0.000 0.410 386 K N 0.608 120.988 120.400 -0.032 0.000 2.148 386 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 386 K C 1.856 178.436 176.600 -0.032 0.000 1.050 386 K CA 1.000 57.267 56.287 -0.033 0.000 0.942 386 K CB -0.053 32.393 32.500 -0.090 0.000 0.724 386 K HN 0.300 nan 8.250 nan 0.000 0.446 387 N N 0.870 119.525 118.700 -0.076 0.000 2.142 387 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 387 N C 1.712 177.351 175.510 0.214 0.000 1.023 387 N CA 0.943 53.980 53.050 -0.022 0.000 0.852 387 N CB -0.190 38.250 38.487 -0.078 0.000 0.998 387 N HN 0.196 nan 8.380 nan 0.000 0.424 388 R N 1.118 121.666 120.500 0.079 0.000 2.070 388 R HA -0.116 4.224 4.340 -0.001 0.000 0.233 388 R C 0.838 177.298 176.300 0.267 0.000 1.137 388 R CA 1.675 57.840 56.100 0.109 0.000 0.945 388 R CB -0.111 30.136 30.300 -0.089 0.000 0.845 388 R HN 0.085 nan 8.270 nan 0.000 0.430 389 D N -0.538 119.987 120.400 0.208 0.000 2.144 389 D HA -0.086 4.553 4.640 -0.001 0.000 0.199 389 D C 1.738 178.194 176.300 0.259 0.000 0.984 389 D CA 1.467 55.608 54.000 0.236 0.000 0.834 389 D CB -0.503 40.406 40.800 0.182 0.000 0.955 389 D HN 0.540 nan 8.370 nan 0.000 0.465 390 G N 0.680 109.649 108.800 0.282 0.000 2.408 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 390 G C 1.548 176.638 174.900 0.317 0.000 1.150 390 G CA 0.236 45.562 45.100 0.376 0.000 0.776 390 G HN 0.193 nan 8.290 nan 0.000 0.542 391 L N 0.942 122.368 121.223 0.338 0.000 2.093 391 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 391 L C 2.217 179.138 176.870 0.085 0.000 1.085 391 L CA 1.843 56.747 54.840 0.106 0.000 0.755 391 L CB -0.568 41.601 42.059 0.184 0.000 0.904 391 L HN 0.155 nan 8.230 nan 0.000 0.435 392 D N -0.458 120.060 120.400 0.195 0.000 2.104 392 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 392 D C 1.641 178.024 176.300 0.137 0.000 0.994 392 D CA 1.420 55.533 54.000 0.189 0.000 0.830 392 D CB 0.072 41.041 40.800 0.282 0.000 0.959 392 D HN 0.349 nan 8.370 nan 0.000 0.452 393 D N -0.114 120.381 120.400 0.159 0.000 2.144 393 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 393 D C 2.356 178.659 176.300 0.004 0.000 0.978 393 D CA 0.331 54.436 54.000 0.175 0.000 0.833 393 D CB -0.191 40.816 40.800 0.346 0.000 0.961 393 D HN 0.357 nan 8.370 nan 0.000 0.470 394 I N 0.500 120.921 120.570 -0.249 0.000 2.163 394 I HA -0.258 3.912 4.170 -0.001 0.000 0.243 394 I C 2.438 178.408 176.117 -0.246 0.000 1.085 394 I CA 0.742 61.800 61.300 -0.404 0.000 1.347 394 I CB -0.121 37.626 38.000 -0.421 0.000 1.044 394 I HN -0.110 nan 8.210 nan 0.000 0.408 395 V N 0.790 120.620 119.914 -0.139 0.000 2.295 395 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 395 V C 2.541 178.546 176.094 -0.149 0.000 1.049 395 V CA 2.221 64.455 62.300 -0.109 0.000 1.024 395 V CB -1.467 30.365 31.823 0.015 0.000 0.648 395 V HN 0.587 nan 8.190 nan 0.000 0.447 396 G N -0.401 108.374 108.800 -0.042 0.000 2.418 396 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 396 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 396 G C 1.239 176.078 174.900 -0.101 0.000 1.158 396 G CA 1.000 46.089 45.100 -0.018 0.000 0.771 396 G HN 0.499 nan 8.290 nan 0.000 0.545 397 D N -0.173 120.165 120.400 -0.103 0.000 2.097 397 D HA -0.095 4.545 4.640 -0.001 0.000 0.195 397 D C 2.087 178.077 176.300 -0.517 0.000 0.989 397 D CA 1.372 55.284 54.000 -0.147 0.000 0.827 397 D CB -0.489 40.368 40.800 0.095 0.000 0.966 397 D HN 0.452 nan 8.370 nan 0.000 0.456 398 H N 0.724 119.162 119.070 -1.053 0.000 2.357 398 H HA 0.039 4.595 4.556 -0.001 0.000 0.301 398 H C 1.487 176.423 175.328 -0.652 0.000 1.082 398 H CA 1.656 56.956 56.048 -1.248 0.000 1.342 398 H CB 0.082 28.895 29.762 -1.582 0.000 1.389 398 H HN -0.014 nan 8.280 nan 0.000 0.511 399 N N -0.722 117.519 118.700 -0.764 0.000 2.405 399 N HA 0.002 4.742 4.740 -0.001 0.000 0.175 399 N C 1.100 176.336 175.510 -0.456 0.000 1.051 399 N CA 1.030 53.569 53.050 -0.852 0.000 0.899 399 N CB 1.091 38.638 38.487 -1.566 0.000 1.000 399 N HN 0.278 nan 8.380 nan 0.000 0.451 400 V N 0.397 120.132 119.914 -0.299 0.000 3.278 400 V HA 0.158 4.277 4.120 -0.001 0.000 0.215 400 V C 2.066 178.136 176.094 -0.039 0.000 1.287 400 V CA -0.044 62.217 62.300 -0.066 0.000 1.302 400 V CB 0.153 32.011 31.823 0.059 0.000 1.228 400 V HN -0.059 nan 8.190 nan 0.000 0.523 401 I N 0.658 121.217 120.570 -0.018 0.000 2.113 401 I HA -0.284 3.885 4.170 -0.001 0.000 0.238 401 I C 2.553 178.681 176.117 0.019 0.000 1.070 401 I CA 1.971 63.289 61.300 0.030 0.000 1.332 401 I CB -0.500 37.555 38.000 0.092 0.000 1.044 401 I HN 0.381 nan 8.210 nan 0.000 0.402 402 c N 0.616 119.219 118.600 0.005 0.000 2.435 402 c HA -0.033 4.537 4.570 -0.001 0.000 0.279 402 c C 0.207 174.327 174.090 0.049 0.000 1.321 402 c CA 0.579 56.953 56.329 0.074 0.000 1.752 402 c CB -1.818 40.791 42.510 0.164 0.000 1.959 402 c HN 0.369 nan 8.230 nan 0.000 0.500 403 P HA -0.073 nan 4.420 nan 0.000 0.217 403 P C 1.762 179.084 177.300 0.037 0.000 1.151 403 P CA 1.000 64.071 63.100 -0.047 0.000 0.828 403 P CB -0.168 31.409 31.700 -0.206 0.000 0.788 404 L N -1.772 119.454 121.223 0.005 0.000 2.093 404 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 404 L C 2.048 178.962 176.870 0.072 0.000 1.085 404 L CA 1.550 56.408 54.840 0.031 0.000 0.755 404 L CB -0.483 41.568 42.059 -0.013 0.000 0.904 404 L HN -0.095 nan 8.230 nan 0.000 0.435 405 M N -1.123 118.514 119.600 0.061 0.000 2.175 405 M HA -0.212 4.267 4.480 -0.001 0.000 0.264 405 M C 2.244 178.608 176.300 0.106 0.000 1.063 405 M CA 1.622 56.955 55.300 0.055 0.000 1.119 405 M CB -1.518 31.131 32.600 0.082 0.000 1.377 405 M HN 0.419 nan 8.290 nan 0.000 0.415 406 H N -0.258 118.851 119.070 0.065 0.000 2.357 406 H HA -0.153 4.403 4.556 -0.001 0.000 0.301 406 H C 1.827 177.202 175.328 0.079 0.000 1.082 406 H CA 1.815 57.908 56.048 0.074 0.000 1.342 406 H CB -0.274 29.529 29.762 0.068 0.000 1.389 406 H HN 0.245 nan 8.280 nan 0.000 0.511 407 F N -0.085 119.828 119.950 -0.063 0.000 2.146 407 F HA -0.130 4.397 4.527 -0.001 0.000 0.298 407 F C 2.401 178.115 175.800 -0.143 0.000 1.096 407 F CA 1.353 59.270 58.000 -0.138 0.000 1.275 407 F CB -0.760 38.166 39.000 -0.123 0.000 1.008 407 F HN 0.134 nan 8.300 nan 0.000 0.480 408 V N 0.942 120.775 119.914 -0.136 0.000 2.515 408 V HA -0.236 3.883 4.120 -0.001 0.000 0.250 408 V C 2.130 178.073 176.094 -0.252 0.000 1.058 408 V CA 2.361 64.462 62.300 -0.332 0.000 1.064 408 V CB -0.630 30.906 31.823 -0.479 0.000 0.675 408 V HN 0.427 nan 8.190 nan 0.000 0.461 409 N N -0.060 118.571 118.700 -0.116 0.000 2.216 409 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 409 N C 1.800 177.289 175.510 -0.035 0.000 1.017 409 N CA 1.049 54.129 53.050 0.049 0.000 0.861 409 N CB -0.156 38.392 38.487 0.102 0.000 0.986 409 N HN 0.414 nan 8.380 nan 0.000 0.428 410 K N 0.465 120.757 120.400 -0.180 0.000 2.057 410 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 410 K C 1.911 178.491 176.600 -0.034 0.000 1.050 410 K CA 0.659 56.873 56.287 -0.122 0.000 0.935 410 K CB -0.675 31.688 32.500 -0.227 0.000 0.715 410 K HN 0.293 nan 8.250 nan 0.000 0.439 411 Y N 2.238 122.291 120.300 -0.412 0.000 2.200 411 Y HA -0.202 4.348 4.550 -0.001 0.000 0.290 411 Y C 2.236 178.134 175.900 -0.003 0.000 1.137 411 Y CA 1.825 59.681 58.100 -0.407 0.000 1.163 411 Y CB -0.309 37.595 38.460 -0.926 0.000 0.988 411 Y HN 0.016 nan 8.280 nan 0.000 0.518 412 T N -0.619 113.989 114.554 0.090 0.000 2.803 412 T HA -0.245 4.105 4.350 -0.001 0.000 0.269 412 T C 2.014 176.732 174.700 0.031 0.000 1.052 412 T CA 1.617 63.802 62.100 0.141 0.000 1.136 412 T CB -0.339 68.706 68.868 0.295 0.000 0.864 412 T HN 0.193 nan 8.240 nan 0.000 0.467 413 K N 0.366 120.754 120.400 -0.020 0.000 2.152 413 K HA -0.027 4.293 4.320 -0.001 0.000 0.206 413 K C 1.475 177.833 176.600 -0.403 0.000 1.048 413 K CA 1.079 57.235 56.287 -0.218 0.000 0.933 413 K CB -0.640 31.699 32.500 -0.269 0.000 0.721 413 K HN 0.649 nan 8.250 nan 0.000 0.447 414 F N -0.755 119.136 119.950 -0.099 0.000 2.746 414 F HA 0.414 4.941 4.527 -0.001 0.000 0.313 414 F C 1.527 177.207 175.800 -0.200 0.000 1.095 414 F CA -0.138 57.760 58.000 -0.171 0.000 1.224 414 F CB 0.201 39.019 39.000 -0.304 0.000 1.060 414 F HN 0.258 nan 8.300 nan 0.000 0.584 415 G N -0.157 108.584 108.800 -0.099 0.000 2.621 415 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.271 415 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.271 415 G C 0.308 175.263 174.900 0.092 0.000 1.236 415 G CA -0.399 44.665 45.100 -0.060 0.000 0.958 415 G HN 0.254 nan 8.290 nan 0.000 0.512 416 N N -0.421 118.384 118.700 0.175 0.000 2.238 416 N HA 0.278 5.018 4.740 -0.001 0.000 0.222 416 N C 0.322 175.918 175.510 0.144 0.000 1.133 416 N CA 0.461 53.588 53.050 0.129 0.000 0.854 416 N CB 0.240 38.792 38.487 0.109 0.000 1.041 416 N HN 0.863 nan 8.380 nan 0.000 0.510 417 G N 0.380 109.284 108.800 0.173 0.000 2.350 417 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.274 417 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.274 417 G C -1.275 173.697 174.900 0.121 0.000 1.621 417 G CA -0.794 44.375 45.100 0.114 0.000 0.935 417 G HN 0.023 nan 8.290 nan 0.000 0.694 418 T N 1.664 116.165 114.554 -0.088 0.000 2.848 418 T HA 0.657 5.007 4.350 -0.001 0.000 0.285 418 T C -1.222 173.213 174.700 -0.443 0.000 0.995 418 T CA -0.357 61.682 62.100 -0.102 0.000 0.970 418 T CB 1.289 70.183 68.868 0.043 0.000 0.976 418 T HN 0.433 nan 8.240 nan 0.000 0.441 419 Y N 2.140 122.361 120.300 -0.132 0.000 2.331 419 Y HA 0.657 5.207 4.550 -0.001 0.000 0.334 419 Y C -0.421 175.519 175.900 0.067 0.000 0.960 419 Y CA -1.148 56.809 58.100 -0.239 0.000 1.130 419 Y CB 1.477 39.336 38.460 -1.002 0.000 1.164 419 Y HN 0.442 nan 8.280 nan 0.000 0.458 420 L N 6.027 127.601 121.223 0.585 0.000 2.329 420 L HA 0.614 4.954 4.340 -0.001 0.000 0.279 420 L C -1.229 176.090 176.870 0.748 0.000 1.014 420 L CA -0.958 54.177 54.840 0.490 0.000 0.814 420 L CB 0.707 42.927 42.059 0.268 0.000 1.257 420 L HN 0.537 nan 8.230 nan 0.000 0.424 421 Y N 3.234 123.845 120.300 0.518 0.000 2.602 421 Y HA 0.742 5.291 4.550 -0.001 0.000 0.342 421 Y C -1.769 174.399 175.900 0.447 0.000 1.029 421 Y CA -2.084 56.265 58.100 0.416 0.000 1.080 421 Y CB 1.325 39.973 38.460 0.314 0.000 1.284 421 Y HN 0.528 nan 8.280 nan 0.000 0.485 422 F N 4.100 124.388 119.950 0.564 0.000 2.577 422 F HA 0.474 5.000 4.527 -0.001 0.000 0.344 422 F C -1.989 174.134 175.800 0.538 0.000 1.145 422 F CA -1.782 56.477 58.000 0.432 0.000 0.996 422 F CB 0.795 40.017 39.000 0.370 0.000 1.248 422 F HN 0.568 nan 8.300 nan 0.000 0.447 423 F N 8.144 128.154 119.950 0.100 0.000 2.404 423 F HA 0.326 4.853 4.527 -0.001 0.000 0.358 423 F C 0.109 175.779 175.800 -0.217 0.000 1.120 423 F CA -0.316 57.702 58.000 0.030 0.000 1.144 423 F CB 0.595 39.685 39.000 0.150 0.000 1.133 423 F HN 0.542 nan 8.300 nan 0.000 0.495 424 N N 3.384 121.739 118.700 -0.574 0.000 2.517 424 N HA 0.082 4.822 4.740 -0.001 0.000 0.285 424 N C -1.261 174.001 175.510 -0.414 0.000 1.528 424 N CA -0.491 52.310 53.050 -0.416 0.000 0.892 424 N CB -0.704 37.721 38.487 -0.103 0.000 1.356 424 N HN 0.625 nan 8.380 nan 0.000 0.495 425 H N 0.685 119.188 119.070 -0.945 0.000 2.519 425 H HA 0.506 5.062 4.556 -0.001 0.000 0.316 425 H C -0.359 174.774 175.328 -0.325 0.000 1.065 425 H CA -0.613 55.073 56.048 -0.604 0.000 1.264 425 H CB 0.983 30.320 29.762 -0.709 0.000 1.413 425 H HN 0.119 nan 8.280 nan 0.000 0.465 426 R N 4.148 124.259 120.500 -0.649 0.000 2.216 426 R HA 0.482 4.821 4.340 -0.001 0.000 0.332 426 R C -0.798 175.229 176.300 -0.455 0.000 1.056 426 R CA -0.268 55.616 56.100 -0.359 0.000 0.901 426 R CB 0.050 30.210 30.300 -0.234 0.000 1.039 426 R HN 0.722 nan 8.270 nan 0.000 0.456 427 A N 3.563 126.391 122.820 0.014 0.000 2.511 427 A HA 0.110 4.430 4.320 -0.001 0.000 0.242 427 A C 1.273 178.918 177.584 0.101 0.000 1.069 427 A CA 0.439 52.646 52.037 0.284 0.000 0.763 427 A CB 0.079 19.405 19.000 0.544 0.000 1.001 427 A HN 1.076 nan 8.150 nan 0.000 0.498 428 S N 1.818 117.612 115.700 0.157 0.000 2.419 428 S HA -0.199 4.271 4.470 -0.001 0.000 0.235 428 S C 0.951 175.531 174.600 -0.034 0.000 1.019 428 S CA 1.388 59.621 58.200 0.055 0.000 0.982 428 S CB -0.462 62.799 63.200 0.101 0.000 0.789 428 S HN 0.946 nan 8.310 nan 0.000 0.490 429 N N 0.743 119.379 118.700 -0.107 0.000 2.238 429 N HA 0.228 4.967 4.740 -0.001 0.000 0.222 429 N C -0.088 175.325 175.510 -0.161 0.000 1.133 429 N CA -0.353 52.582 53.050 -0.191 0.000 0.854 429 N CB -0.555 37.704 38.487 -0.380 0.000 1.041 429 N HN 0.404 nan 8.380 nan 0.000 0.510 430 L N 1.481 122.654 121.223 -0.083 0.000 2.499 430 L HA -0.005 4.335 4.340 -0.001 0.000 0.273 430 L C 1.459 178.252 176.870 -0.128 0.000 1.195 430 L CA -0.177 54.616 54.840 -0.079 0.000 0.882 430 L CB 1.039 43.065 42.059 -0.056 0.000 1.133 430 L HN 0.130 nan 8.230 nan 0.000 0.483 431 V N 0.141 119.922 119.914 -0.221 0.000 3.406 431 V HA 0.008 4.128 4.120 -0.001 0.000 0.263 431 V C 0.589 176.609 176.094 -0.124 0.000 1.172 431 V CA -0.372 61.778 62.300 -0.249 0.000 1.140 431 V CB -0.866 30.650 31.823 -0.512 0.000 0.784 431 V HN 0.600 nan 8.190 nan 0.000 0.467 432 W N 1.983 123.217 121.300 -0.110 0.000 2.184 432 W HA 0.494 5.154 4.660 -0.001 0.000 0.338 432 W C -1.642 174.730 176.519 -0.246 0.000 1.257 432 W CA -2.097 55.147 57.345 -0.167 0.000 1.243 432 W CB -0.020 29.201 29.460 -0.399 0.000 1.122 432 W HN 0.005 nan 8.180 nan 0.000 0.585 433 P HA -0.058 nan 4.420 nan 0.000 0.271 433 P C 0.254 177.439 177.300 -0.192 0.000 1.233 433 P CA 0.236 63.264 63.100 -0.120 0.000 0.789 433 P CB 1.107 32.744 31.700 -0.106 0.000 0.951 434 E N 1.360 121.524 120.200 -0.059 0.000 2.085 434 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 434 E C 1.777 178.390 176.600 0.021 0.000 0.994 434 E CA 1.712 58.104 56.400 -0.013 0.000 0.801 434 E CB -0.781 28.949 29.700 0.051 0.000 0.743 434 E HN 0.639 nan 8.360 nan 0.000 0.453 435 W N -0.406 120.918 121.300 0.040 0.000 2.387 435 W HA -0.158 4.501 4.660 -0.001 0.000 0.272 435 W C 1.270 177.826 176.519 0.062 0.000 1.224 435 W CA 0.606 57.987 57.345 0.059 0.000 1.210 435 W CB -0.797 28.710 29.460 0.078 0.000 1.125 435 W HN 0.069 nan 8.180 nan 0.000 0.572 436 M N 1.308 120.575 119.600 -0.555 0.000 2.492 436 M HA 0.117 4.597 4.480 -0.001 0.000 0.262 436 M C 1.767 177.934 176.300 -0.221 0.000 1.090 436 M CA 1.550 56.484 55.300 -0.611 0.000 1.110 436 M CB -0.685 31.336 32.600 -0.966 0.000 1.407 436 M HN 0.176 nan 8.290 nan 0.000 0.470 437 G N 0.513 109.244 108.800 -0.116 0.000 2.574 437 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.286 437 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.286 437 G C -0.198 174.669 174.900 -0.055 0.000 1.212 437 G CA -0.244 44.833 45.100 -0.038 0.000 0.979 437 G HN 0.203 nan 8.290 nan 0.000 0.557 438 V N 1.972 121.892 119.914 0.010 0.000 2.299 438 V HA 0.394 4.514 4.120 -0.001 0.000 0.255 438 V C 1.071 177.252 176.094 0.145 0.000 1.100 438 V CA -0.122 62.228 62.300 0.083 0.000 0.938 438 V CB 0.109 31.968 31.823 0.061 0.000 1.139 438 V HN 0.533 nan 8.190 nan 0.000 0.490 439 I N 2.960 123.590 120.570 0.100 0.000 2.754 439 I HA 0.106 4.275 4.170 -0.001 0.000 0.285 439 I C 0.915 177.274 176.117 0.403 0.000 1.166 439 I CA -0.418 60.950 61.300 0.114 0.000 1.417 439 I CB 0.195 38.030 38.000 -0.275 0.000 1.382 439 I HN 0.564 nan 8.210 nan 0.000 0.588 440 H N 4.214 123.458 119.070 0.289 0.000 3.107 440 H HA 0.181 4.737 4.556 -0.001 0.000 0.301 440 H C 0.924 176.437 175.328 0.308 0.000 0.981 440 H CA 0.989 57.224 56.048 0.311 0.000 1.443 440 H CB 0.081 30.047 29.762 0.340 0.000 1.479 440 H HN 0.750 nan 8.280 nan 0.000 0.564 441 G N 3.697 112.465 108.800 -0.055 0.000 2.213 441 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.236 441 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.236 441 G C 0.613 175.517 174.900 0.007 0.000 0.991 441 G CA 0.306 45.319 45.100 -0.144 0.000 0.629 441 G HN 0.617 nan 8.290 nan 0.000 0.517 442 Y N 1.714 122.181 120.300 0.279 0.000 2.462 442 Y HA 0.223 4.772 4.550 -0.001 0.000 0.293 442 Y C 2.350 178.423 175.900 0.287 0.000 1.195 442 Y CA 1.043 59.357 58.100 0.357 0.000 1.276 442 Y CB 0.375 39.061 38.460 0.376 0.000 1.082 442 Y HN 0.514 nan 8.280 nan 0.000 0.514 443 E N 0.099 120.306 120.200 0.010 0.000 2.400 443 E HA -0.059 4.291 4.350 -0.001 0.000 0.195 443 E C 1.659 178.224 176.600 -0.059 0.000 1.012 443 E CA 0.586 56.680 56.400 -0.510 0.000 0.875 443 E CB -0.453 28.601 29.700 -1.076 0.000 0.859 443 E HN 0.523 nan 8.360 nan 0.000 0.498 444 I N 2.771 123.399 120.570 0.095 0.000 2.151 444 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 444 I C 2.697 178.887 176.117 0.121 0.000 1.080 444 I CA 2.219 63.627 61.300 0.181 0.000 1.339 444 I CB -0.504 37.673 38.000 0.295 0.000 1.039 444 I HN 0.236 nan 8.210 nan 0.000 0.409 445 E N 0.954 121.180 120.200 0.043 0.000 2.160 445 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 445 E C 2.049 178.481 176.600 -0.278 0.000 0.991 445 E CA 1.525 57.858 56.400 -0.111 0.000 0.810 445 E CB -0.539 29.091 29.700 -0.115 0.000 0.742 445 E HN 0.441 nan 8.360 nan 0.000 0.466 446 F N 1.141 121.013 119.950 -0.130 0.000 2.234 446 F HA -0.035 4.492 4.527 -0.001 0.000 0.296 446 F C 2.380 178.012 175.800 -0.279 0.000 1.089 446 F CA 0.599 58.473 58.000 -0.210 0.000 1.343 446 F CB -0.156 38.755 39.000 -0.147 0.000 1.040 446 F HN -0.129 nan 8.300 nan 0.000 0.498 447 V N -1.133 118.701 119.914 -0.134 0.000 2.515 447 V HA -0.256 3.864 4.120 -0.001 0.000 0.250 447 V C 1.574 177.474 176.094 -0.324 0.000 1.058 447 V CA 1.499 63.583 62.300 -0.360 0.000 1.064 447 V CB -0.636 31.013 31.823 -0.290 0.000 0.675 447 V HN 0.197 nan 8.190 nan 0.000 0.461 448 F N 0.445 120.250 119.950 -0.241 0.000 2.732 448 F HA 0.414 4.940 4.527 -0.001 0.000 0.303 448 F C 1.828 177.520 175.800 -0.181 0.000 1.110 448 F CA 0.536 58.417 58.000 -0.198 0.000 1.355 448 F CB -0.214 38.661 39.000 -0.209 0.000 1.081 448 F HN 0.250 nan 8.300 nan 0.000 0.565 449 G N -0.025 108.674 108.800 -0.169 0.000 2.155 449 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.257 449 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.257 449 G C 1.216 175.811 174.900 -0.508 0.000 0.983 449 G CA 0.437 45.374 45.100 -0.272 0.000 0.676 449 G HN 0.259 nan 8.290 nan 0.000 0.528 450 L N 0.075 120.976 121.223 -0.536 0.000 2.129 450 L HA -0.077 4.263 4.340 -0.001 0.000 0.212 450 L C 0.303 176.763 176.870 -0.683 0.000 1.087 450 L CA 2.640 57.114 54.840 -0.609 0.000 0.757 450 L CB -2.004 39.826 42.059 -0.382 0.000 0.896 450 L HN 0.226 nan 8.230 nan 0.000 0.434 451 P HA -0.098 nan 4.420 nan 0.000 0.225 451 P C 1.906 178.961 177.300 -0.408 0.000 1.148 451 P CA 0.787 63.292 63.100 -0.991 0.000 0.779 451 P CB 0.068 31.074 31.700 -1.157 0.000 0.780 452 L N -1.390 119.601 121.223 -0.386 0.000 2.478 452 L HA 0.028 4.367 4.340 -0.001 0.000 0.223 452 L C 1.101 177.852 176.870 -0.198 0.000 1.140 452 L CA 0.444 55.143 54.840 -0.235 0.000 0.842 452 L CB -0.556 41.391 42.059 -0.187 0.000 0.953 452 L HN -0.066 nan 8.230 nan 0.000 0.452 453 V N -0.866 118.889 119.914 -0.265 0.000 2.334 453 V HA 0.359 4.478 4.120 -0.001 0.000 0.267 453 V C 1.240 177.293 176.094 -0.068 0.000 1.040 453 V CA 0.115 62.318 62.300 -0.161 0.000 0.866 453 V CB 1.104 32.804 31.823 -0.206 0.000 1.019 453 V HN 0.260 nan 8.190 nan 0.000 0.468 454 K N 4.229 124.605 120.400 -0.039 0.000 2.074 454 K HA -0.211 4.109 4.320 -0.001 0.000 0.209 454 K C 1.497 178.088 176.600 -0.016 0.000 1.048 454 K CA 2.428 58.706 56.287 -0.014 0.000 0.926 454 K CB -1.024 31.467 32.500 -0.015 0.000 0.713 454 K HN 0.899 nan 8.250 nan 0.000 0.444 455 E N 0.561 120.745 120.200 -0.026 0.000 2.267 455 E HA -0.066 4.284 4.350 -0.001 0.000 0.197 455 E C 1.767 178.340 176.600 -0.046 0.000 0.998 455 E CA 0.993 57.372 56.400 -0.034 0.000 0.830 455 E CB -0.286 29.394 29.700 -0.033 0.000 0.751 455 E HN 0.610 nan 8.360 nan 0.000 0.491 456 L N -0.116 121.089 121.223 -0.031 0.000 2.478 456 L HA 0.052 4.392 4.340 -0.001 0.000 0.223 456 L C -0.135 176.649 176.870 -0.143 0.000 1.140 456 L CA 0.318 55.126 54.840 -0.053 0.000 0.842 456 L CB -0.594 41.495 42.059 0.050 0.000 0.953 456 L HN 0.243 nan 8.230 nan 0.000 0.452 457 N N -2.111 116.544 118.700 -0.076 0.000 2.815 457 N HA -0.201 4.538 4.740 -0.001 0.000 0.248 457 N C -0.693 174.720 175.510 -0.162 0.000 1.110 457 N CA 0.023 53.002 53.050 -0.118 0.000 0.699 457 N CB -1.235 37.153 38.487 -0.165 0.000 1.040 457 N HN 0.240 nan 8.380 nan 0.000 0.555 458 Y N 0.640 120.910 120.300 -0.050 0.000 2.392 458 Y HA 0.388 4.937 4.550 -0.001 0.000 0.323 458 Y C 1.632 177.537 175.900 0.008 0.000 1.291 458 Y CA -0.161 57.931 58.100 -0.012 0.000 1.345 458 Y CB 0.692 39.121 38.460 -0.052 0.000 1.320 458 Y HN 0.026 nan 8.280 nan 0.000 0.518 459 T N -1.964 112.731 114.554 0.235 0.000 2.849 459 T HA 0.437 4.787 4.350 -0.001 0.000 0.284 459 T C 1.176 175.943 174.700 0.112 0.000 1.004 459 T CA -0.276 61.907 62.100 0.138 0.000 1.021 459 T CB 1.268 70.216 68.868 0.134 0.000 1.013 459 T HN 0.770 nan 8.240 nan 0.000 0.527 460 A N 1.213 124.072 122.820 0.064 0.000 1.940 460 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 460 A C 2.291 179.894 177.584 0.030 0.000 1.176 460 A CA 1.510 53.568 52.037 0.036 0.000 0.631 460 A CB -0.780 18.233 19.000 0.021 0.000 0.814 460 A HN 0.947 nan 8.150 nan 0.000 0.446 461 E N 0.447 120.669 120.200 0.036 0.000 2.274 461 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 461 E C 1.457 178.058 176.600 0.003 0.000 0.996 461 E CA 1.239 57.643 56.400 0.007 0.000 0.840 461 E CB -0.521 29.177 29.700 -0.003 0.000 0.772 461 E HN 0.796 nan 8.360 nan 0.000 0.491 462 E N 1.059 121.308 120.200 0.081 0.000 2.107 462 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 462 E C 2.079 178.750 176.600 0.117 0.000 0.982 462 E CA 0.883 57.408 56.400 0.208 0.000 0.809 462 E CB 0.020 29.976 29.700 0.425 0.000 0.756 462 E HN 0.403 nan 8.360 nan 0.000 0.459 463 E N 0.819 121.028 120.200 0.015 0.000 2.072 463 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 463 E C 2.006 178.580 176.600 -0.043 0.000 0.985 463 E CA 1.003 57.363 56.400 -0.067 0.000 0.801 463 E CB -0.050 29.617 29.700 -0.055 0.000 0.750 463 E HN 0.199 nan 8.360 nan 0.000 0.452 464 A N 1.128 123.934 122.820 -0.022 0.000 1.933 464 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 464 A C 2.140 179.700 177.584 -0.041 0.000 1.175 464 A CA 1.325 53.340 52.037 -0.037 0.000 0.628 464 A CB -0.613 18.367 19.000 -0.034 0.000 0.814 464 A HN 0.411 nan 8.150 nan 0.000 0.444 465 L N -0.375 120.839 121.223 -0.015 0.000 2.056 465 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 465 L C 2.499 179.395 176.870 0.043 0.000 1.078 465 L CA 2.569 57.397 54.840 -0.021 0.000 0.749 465 L CB -0.913 41.085 42.059 -0.102 0.000 0.901 465 L HN 0.312 nan 8.230 nan 0.000 0.433 466 S N -0.544 115.242 115.700 0.143 0.000 2.359 466 S HA -0.228 4.242 4.470 -0.001 0.000 0.224 466 S C 2.195 176.751 174.600 -0.074 0.000 1.035 466 S CA 1.540 59.774 58.200 0.055 0.000 1.018 466 S CB -0.231 62.887 63.200 -0.136 0.000 0.876 466 S HN 0.558 nan 8.310 nan 0.000 0.448 467 R N 0.240 120.691 120.500 -0.082 0.000 2.081 467 R HA 0.028 4.367 4.340 -0.001 0.000 0.235 467 R C 2.741 178.972 176.300 -0.115 0.000 1.131 467 R CA 1.486 57.530 56.100 -0.094 0.000 0.960 467 R CB -0.269 29.976 30.300 -0.090 0.000 0.856 467 R HN 0.394 nan 8.270 nan 0.000 0.436 468 R N 0.389 120.793 120.500 -0.160 0.000 2.073 468 R HA -0.092 4.248 4.340 -0.001 0.000 0.234 468 R C 2.315 178.373 176.300 -0.403 0.000 1.134 468 R CA 1.413 57.316 56.100 -0.328 0.000 0.952 468 R CB -0.370 29.728 30.300 -0.338 0.000 0.850 468 R HN 0.219 nan 8.270 nan 0.000 0.433 469 I N 0.582 121.031 120.570 -0.201 0.000 2.179 469 I HA -0.315 3.854 4.170 -0.001 0.000 0.242 469 I C 2.476 178.481 176.117 -0.187 0.000 1.088 469 I CA 1.449 62.648 61.300 -0.169 0.000 1.357 469 I CB -0.182 37.618 38.000 -0.334 0.000 1.051 469 I HN 0.207 nan 8.210 nan 0.000 0.409 470 M N -0.650 118.831 119.600 -0.198 0.000 2.108 470 M HA -0.275 4.204 4.480 -0.001 0.000 0.261 470 M C 2.424 178.748 176.300 0.041 0.000 1.066 470 M CA 1.822 57.040 55.300 -0.136 0.000 1.107 470 M CB -0.803 31.722 32.600 -0.124 0.000 1.356 470 M HN 0.278 nan 8.290 nan 0.000 0.406 471 H N -0.412 118.629 119.070 -0.050 0.000 2.428 471 H HA -0.126 4.429 4.556 -0.001 0.000 0.296 471 H C 1.554 176.982 175.328 0.166 0.000 1.062 471 H CA 1.768 57.818 56.048 0.003 0.000 1.350 471 H CB 0.030 29.747 29.762 -0.074 0.000 1.403 471 H HN 0.276 nan 8.280 nan 0.000 0.533 472 Y N -0.949 119.474 120.300 0.204 0.000 2.163 472 Y HA -0.223 4.327 4.550 -0.001 0.000 0.288 472 Y C 2.510 178.616 175.900 0.342 0.000 1.136 472 Y CA 0.954 59.232 58.100 0.297 0.000 1.147 472 Y CB -1.075 37.762 38.460 0.629 0.000 0.987 472 Y HN 0.352 nan 8.280 nan 0.000 0.509 473 W N -0.491 120.904 121.300 0.158 0.000 2.358 473 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 473 W C 2.541 179.047 176.519 -0.021 0.000 1.208 473 W CA 0.991 58.356 57.345 0.033 0.000 1.274 473 W CB -0.371 29.044 29.460 -0.075 0.000 1.138 473 W HN 0.051 nan 8.180 nan 0.000 0.515 474 A N -0.117 122.798 122.820 0.159 0.000 1.929 474 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 474 A C 1.807 179.364 177.584 -0.045 0.000 1.176 474 A CA 2.049 54.093 52.037 0.013 0.000 0.628 474 A CB -1.122 17.869 19.000 -0.014 0.000 0.816 474 A HN 0.175 nan 8.150 nan 0.000 0.444 475 T N -0.730 113.753 114.554 -0.119 0.000 2.821 475 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 475 T C 1.601 176.255 174.700 -0.076 0.000 1.046 475 T CA 1.456 63.462 62.100 -0.157 0.000 1.139 475 T CB -0.382 68.328 68.868 -0.262 0.000 0.871 475 T HN 0.501 nan 8.240 nan 0.000 0.454 476 F N 2.377 122.228 119.950 -0.165 0.000 2.134 476 F HA 0.011 4.537 4.527 -0.001 0.000 0.299 476 F C 2.414 178.129 175.800 -0.142 0.000 1.097 476 F CA 0.981 58.850 58.000 -0.218 0.000 1.264 476 F CB -0.578 38.234 39.000 -0.314 0.000 1.001 476 F HN 0.137 nan 8.300 nan 0.000 0.479 477 A N 0.275 123.042 122.820 -0.087 0.000 1.933 477 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 477 A C 2.324 179.788 177.584 -0.200 0.000 1.175 477 A CA 1.948 53.893 52.037 -0.153 0.000 0.628 477 A CB -0.830 18.143 19.000 -0.046 0.000 0.814 477 A HN 0.515 nan 8.150 nan 0.000 0.444 478 K N -0.926 119.382 120.400 -0.154 0.000 2.116 478 K HA -0.090 4.230 4.320 -0.001 0.000 0.203 478 K C 1.725 178.236 176.600 -0.148 0.000 1.052 478 K CA 1.786 58.001 56.287 -0.121 0.000 0.952 478 K CB -0.034 32.420 32.500 -0.077 0.000 0.729 478 K HN 0.611 nan 8.250 nan 0.000 0.446 479 T N -5.157 109.276 114.554 -0.202 0.000 2.958 479 T HA 0.260 4.609 4.350 -0.001 0.000 0.256 479 T C 1.112 175.664 174.700 -0.247 0.000 0.983 479 T CA 0.452 62.445 62.100 -0.178 0.000 0.924 479 T CB 0.954 69.753 68.868 -0.116 0.000 1.136 479 T HN 0.283 nan 8.240 nan 0.000 0.506 480 G N 1.520 110.026 108.800 -0.489 0.000 2.157 480 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.239 480 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.239 480 G C -0.213 174.554 174.900 -0.222 0.000 0.982 480 G CA -0.003 44.756 45.100 -0.569 0.000 0.650 480 G HN 0.852 nan 8.290 nan 0.000 0.527 481 N N -0.259 118.316 118.700 -0.209 0.000 2.478 481 N HA 0.428 5.167 4.740 -0.001 0.000 0.291 481 N C -1.636 173.700 175.510 -0.289 0.000 1.090 481 N CA -1.432 51.456 53.050 -0.270 0.000 0.911 481 N CB 2.451 40.884 38.487 -0.090 0.000 1.546 481 N HN -0.062 nan 8.380 nan 0.000 0.500 482 P HA -0.047 nan 4.420 nan 0.000 0.226 482 P C -0.491 176.827 177.300 0.031 0.000 1.153 482 P CA 0.612 63.580 63.100 -0.221 0.000 0.777 482 P CB 0.326 31.708 31.700 -0.531 0.000 0.794 483 N N 1.474 120.155 118.700 -0.032 0.000 2.518 483 N HA 0.103 4.843 4.740 -0.001 0.000 0.283 483 N C 0.094 175.665 175.510 0.101 0.000 1.119 483 N CA -0.114 53.013 53.050 0.129 0.000 0.983 483 N CB 0.855 39.418 38.487 0.127 0.000 1.139 483 N HN 0.017 nan 8.380 nan 0.000 0.465 484 E N 2.664 122.958 120.200 0.157 0.000 2.344 484 E HA 0.167 4.516 4.350 -0.001 0.000 0.270 484 E C -1.816 174.845 176.600 0.102 0.000 1.021 484 E CA -1.157 55.324 56.400 0.135 0.000 0.887 484 E CB 0.390 30.203 29.700 0.189 0.000 0.997 484 E HN 0.355 nan 8.360 nan 0.000 0.429 491 K N 2.700 123.203 120.400 0.172 0.000 2.258 491 K HA 0.237 4.557 4.320 -0.001 0.000 0.284 491 K C -0.326 176.441 176.600 0.277 0.000 1.051 491 K CA -0.441 55.979 56.287 0.221 0.000 0.923 491 K CB 0.483 33.094 32.500 0.184 0.000 1.046 491 K HN 0.637 nan 8.250 nan 0.000 0.474 492 W N 7.410 128.771 121.300 0.101 0.000 2.437 492 W HA 0.192 4.852 4.660 -0.001 0.000 0.312 492 W C -2.343 174.300 176.519 0.206 0.000 1.242 492 W CA -2.619 54.783 57.345 0.095 0.000 1.340 492 W CB -0.004 29.422 29.460 -0.056 0.000 1.327 492 W HN 0.399 nan 8.180 nan 0.000 0.476 493 P HA 0.064 nan 4.420 nan 0.000 0.276 493 P C -0.589 176.900 177.300 0.316 0.000 1.244 493 P CA -0.581 62.743 63.100 0.374 0.000 0.801 493 P CB 1.586 33.419 31.700 0.223 0.000 1.006 494 L N 2.486 123.760 121.223 0.085 0.000 2.453 494 L HA 0.190 4.530 4.340 -0.001 0.000 0.272 494 L C -0.001 176.843 176.870 -0.043 0.000 1.182 494 L CA -0.206 54.487 54.840 -0.244 0.000 0.858 494 L CB -0.821 41.125 42.059 -0.188 0.000 1.120 494 L HN 0.231 nan 8.230 nan 0.000 0.474 495 F N 4.453 124.296 119.950 -0.179 0.000 2.438 495 F HA 0.502 5.029 4.527 -0.001 0.000 0.356 495 F C 0.292 176.065 175.800 -0.045 0.000 1.099 495 F CA -0.131 57.859 58.000 -0.016 0.000 1.185 495 F CB 0.597 39.614 39.000 0.028 0.000 1.115 495 F HN 0.657 nan 8.300 nan 0.000 0.526 496 T N 1.169 115.425 114.554 -0.496 0.000 2.916 496 T HA 0.277 4.627 4.350 -0.001 0.000 0.292 496 T C 0.843 175.268 174.700 -0.458 0.000 1.064 496 T CA -0.416 61.503 62.100 -0.301 0.000 1.011 496 T CB 1.442 70.205 68.868 -0.176 0.000 1.152 496 T HN 0.531 nan 8.240 nan 0.000 0.510 497 T N 0.836 115.277 114.554 -0.187 0.000 2.699 497 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 497 T C 2.507 177.112 174.700 -0.159 0.000 1.036 497 T CA 2.333 64.357 62.100 -0.127 0.000 1.147 497 T CB -0.720 68.112 68.868 -0.060 0.000 0.862 497 T HN 0.864 nan 8.240 nan 0.000 0.446 498 K N 1.291 121.602 120.400 -0.148 0.000 2.005 498 K HA 0.046 4.365 4.320 -0.001 0.000 0.206 498 K C 2.121 178.641 176.600 -0.133 0.000 1.044 498 K CA 1.377 57.597 56.287 -0.112 0.000 0.942 498 K CB -0.770 31.681 32.500 -0.080 0.000 0.727 498 K HN 0.253 nan 8.250 nan 0.000 0.439 499 E N 0.112 120.209 120.200 -0.171 0.000 2.230 499 E HA 0.011 4.361 4.350 -0.001 0.000 0.192 499 E C 0.082 176.563 176.600 -0.199 0.000 0.987 499 E CA 0.423 56.735 56.400 -0.148 0.000 0.841 499 E CB 0.181 29.814 29.700 -0.113 0.000 0.783 499 E HN 0.570 nan 8.360 nan 0.000 0.481 500 Q N 0.153 119.669 119.800 -0.472 0.000 2.434 500 Q HA -0.246 4.094 4.340 -0.001 0.000 0.299 500 Q C -0.738 175.232 176.000 -0.050 0.000 1.286 500 Q CA 0.630 56.044 55.803 -0.649 0.000 0.872 500 Q CB -1.569 27.044 28.738 -0.207 0.000 1.193 500 Q HN 0.187 nan 8.270 nan 0.000 0.466 501 K N 0.617 121.004 120.400 -0.023 0.000 2.237 501 K HA 0.507 4.826 4.320 -0.001 0.000 0.270 501 K C 0.018 176.928 176.600 0.517 0.000 1.015 501 K CA 0.138 56.544 56.287 0.198 0.000 0.949 501 K CB 0.450 33.009 32.500 0.098 0.000 0.976 501 K HN 0.218 nan 8.250 nan 0.000 0.472 502 F N 0.234 120.360 119.950 0.293 0.000 2.685 502 F HA 0.644 5.171 4.527 -0.001 0.000 0.315 502 F C -0.981 174.937 175.800 0.197 0.000 1.126 502 F CA -1.532 56.672 58.000 0.340 0.000 0.950 502 F CB 0.822 40.028 39.000 0.343 0.000 1.360 502 F HN 0.397 nan 8.300 nan 0.000 0.469 503 I N -0.853 119.859 120.570 0.236 0.000 2.846 503 I HA 0.633 4.802 4.170 -0.001 0.000 0.307 503 I C -1.221 175.048 176.117 0.252 0.000 1.053 503 I CA -0.905 60.370 61.300 -0.042 0.000 1.050 503 I CB 2.014 39.780 38.000 -0.391 0.000 1.239 503 I HN 0.438 nan 8.210 nan 0.000 0.439 504 D N 3.176 123.702 120.400 0.210 0.000 2.283 504 D HA 0.484 5.124 4.640 -0.001 0.000 0.248 504 D C -0.955 175.446 176.300 0.168 0.000 1.072 504 D CA 0.032 54.248 54.000 0.360 0.000 0.929 504 D CB 2.209 43.210 40.800 0.335 0.000 1.182 504 D HN 0.267 nan 8.370 nan 0.000 0.433 505 L N 2.877 124.206 121.223 0.178 0.000 2.377 505 L HA 0.306 4.646 4.340 -0.001 0.000 0.270 505 L C -0.736 176.094 176.870 -0.068 0.000 0.991 505 L CA -0.349 54.547 54.840 0.093 0.000 0.851 505 L CB 0.197 42.384 42.059 0.214 0.000 1.218 505 L HN 0.535 nan 8.230 nan 0.000 0.420 506 N N -0.097 118.547 118.700 -0.094 0.000 3.449 506 N HA 0.272 5.011 4.740 -0.001 0.000 0.312 506 N C 0.275 175.671 175.510 -0.190 0.000 1.557 506 N CA -0.040 52.883 53.050 -0.211 0.000 0.864 506 N CB 0.284 38.703 38.487 -0.113 0.000 1.799 506 N HN 0.092 nan 8.380 nan 0.000 0.554 507 T N -3.463 110.955 114.554 -0.226 0.000 3.148 507 T HA 0.154 4.503 4.350 -0.001 0.000 0.253 507 T C -0.118 174.546 174.700 -0.059 0.000 1.134 507 T CA 0.354 62.350 62.100 -0.174 0.000 1.051 507 T CB -0.405 68.329 68.868 -0.223 0.000 0.959 507 T HN 0.435 nan 8.240 nan 0.000 0.525 508 E N 2.051 122.237 120.200 -0.024 0.000 2.280 508 E HA 0.440 4.789 4.350 -0.001 0.000 0.264 508 E C -2.677 173.926 176.600 0.006 0.000 1.064 508 E CA -3.170 53.232 56.400 0.004 0.000 0.900 508 E CB -0.318 29.397 29.700 0.025 0.000 1.123 508 E HN 0.133 nan 8.360 nan 0.000 0.418 509 P HA -0.006 nan 4.420 nan 0.000 0.265 509 P C 0.095 177.401 177.300 0.010 0.000 1.193 509 P CA 0.215 63.322 63.100 0.013 0.000 0.765 509 P CB 0.331 32.039 31.700 0.012 0.000 0.823 510 M N 3.640 123.250 119.600 0.017 0.000 2.255 510 M HA -0.053 4.427 4.480 -0.001 0.000 0.356 510 M C -0.331 175.938 176.300 -0.051 0.000 1.338 510 M CA 1.189 56.488 55.300 -0.001 0.000 0.962 510 M CB -0.036 32.581 32.600 0.029 0.000 1.877 510 M HN 0.230 nan 8.290 nan 0.000 0.463 511 K N 4.254 124.590 120.400 -0.107 0.000 2.324 511 K HA 0.579 4.899 4.320 -0.001 0.000 0.253 511 K C -1.418 174.923 176.600 -0.433 0.000 0.932 511 K CA -0.885 55.251 56.287 -0.251 0.000 0.799 511 K CB 2.474 34.814 32.500 -0.266 0.000 1.154 511 K HN 0.500 nan 8.250 nan 0.000 0.425 512 V N 4.031 123.664 119.914 -0.469 0.000 2.427 512 V HA 0.335 4.455 4.120 -0.001 0.000 0.286 512 V C -0.097 175.579 176.094 -0.695 0.000 1.034 512 V CA -0.581 61.449 62.300 -0.451 0.000 0.893 512 V CB 1.160 32.865 31.823 -0.197 0.000 0.982 512 V HN 0.730 nan 8.190 nan 0.000 0.452 513 H N 2.919 121.635 119.070 -0.590 0.000 2.949 513 H HA 0.643 5.198 4.556 -0.001 0.000 0.310 513 H C -1.136 173.911 175.328 -0.469 0.000 1.405 513 H CA -0.862 54.824 56.048 -0.605 0.000 1.253 513 H CB 2.190 31.432 29.762 -0.866 0.000 1.932 513 H HN 0.561 nan 8.280 nan 0.000 0.602 514 Q N 0.368 120.184 119.800 0.027 0.000 2.423 514 Q HA 0.375 4.715 4.340 -0.001 0.000 0.278 514 Q C -0.565 175.660 176.000 0.375 0.000 1.097 514 Q CA -0.983 54.945 55.803 0.208 0.000 0.809 514 Q CB 2.880 31.675 28.738 0.094 0.000 1.391 514 Q HN 0.439 nan 8.270 nan 0.000 0.428 515 R N 0.928 121.653 120.500 0.374 0.000 3.146 515 R HA -0.196 4.143 4.340 -0.001 0.000 0.250 515 R C -0.611 175.839 176.300 0.251 0.000 0.912 515 R CA -0.122 56.145 56.100 0.279 0.000 0.633 515 R CB -1.589 28.814 30.300 0.171 0.000 1.180 515 R HN 0.507 nan 8.270 nan 0.000 0.464 516 L N 2.357 123.670 121.223 0.151 0.000 2.700 516 L HA -0.065 4.275 4.340 -0.001 0.000 0.276 516 L C 1.063 177.890 176.870 -0.072 0.000 1.200 516 L CA 0.924 55.606 54.840 -0.263 0.000 0.951 516 L CB -0.284 41.296 42.059 -0.799 0.000 1.226 516 L HN 0.446 nan 8.230 nan 0.000 0.489 517 R N 2.162 122.632 120.500 -0.050 0.000 3.387 517 R HA -0.210 4.130 4.340 -0.001 0.000 0.254 517 R C 1.255 177.615 176.300 0.099 0.000 1.006 517 R CA 0.579 56.700 56.100 0.036 0.000 0.677 517 R CB -1.814 28.525 30.300 0.066 0.000 1.063 517 R HN 0.738 nan 8.270 nan 0.000 0.453 518 V N -2.277 117.695 119.914 0.097 0.000 2.282 518 V HA -0.354 3.765 4.120 -0.001 0.000 0.249 518 V C 2.331 178.497 176.094 0.120 0.000 1.057 518 V CA 2.208 64.579 62.300 0.118 0.000 1.032 518 V CB -0.510 31.375 31.823 0.104 0.000 0.645 518 V HN 0.325 nan 8.190 nan 0.000 0.447 519 Q N -0.070 119.783 119.800 0.087 0.000 2.014 519 Q HA -0.206 4.133 4.340 -0.001 0.000 0.207 519 Q C 2.174 178.235 176.000 0.102 0.000 0.993 519 Q CA 2.327 58.169 55.803 0.064 0.000 0.850 519 Q CB -0.431 28.316 28.738 0.015 0.000 0.916 519 Q HN 0.529 nan 8.270 nan 0.000 0.417 520 M N -1.116 118.566 119.600 0.137 0.000 2.175 520 M HA -0.119 4.361 4.480 -0.001 0.000 0.264 520 M C 2.359 178.935 176.300 0.461 0.000 1.063 520 M CA 0.884 56.340 55.300 0.260 0.000 1.119 520 M CB -1.211 31.611 32.600 0.371 0.000 1.377 520 M HN 0.329 nan 8.290 nan 0.000 0.415 521 c N -0.369 118.451 118.600 0.367 0.000 2.448 521 c HA -0.017 4.552 4.570 -0.001 0.000 0.280 521 c C 2.910 177.183 174.090 0.304 0.000 1.398 521 c CA 0.207 56.764 56.329 0.380 0.000 1.774 521 c CB -0.933 41.735 42.510 0.264 0.000 1.888 521 c HN 0.314 nan 8.230 nan 0.000 0.519 522 V N 0.366 120.422 119.914 0.237 0.000 2.548 522 V HA -0.179 3.941 4.120 -0.001 0.000 0.249 522 V C 2.003 178.213 176.094 0.192 0.000 1.055 522 V CA 1.891 64.301 62.300 0.183 0.000 1.065 522 V CB -0.734 31.170 31.823 0.134 0.000 0.681 522 V HN 0.570 nan 8.190 nan 0.000 0.462 523 F N 0.122 120.106 119.950 0.057 0.000 2.075 523 F HA -0.189 4.338 4.527 -0.001 0.000 0.297 523 F C 1.983 177.762 175.800 -0.034 0.000 1.113 523 F CA 1.791 59.772 58.000 -0.032 0.000 1.218 523 F CB -0.397 38.471 39.000 -0.221 0.000 0.984 523 F HN 0.170 nan 8.300 nan 0.000 0.472 524 W N 0.554 121.974 121.300 0.200 0.000 2.402 524 W HA -0.106 4.553 4.660 -0.001 0.000 0.286 524 W C 1.956 178.464 176.519 -0.019 0.000 1.221 524 W CA 0.837 58.226 57.345 0.073 0.000 1.257 524 W CB -0.445 29.164 29.460 0.248 0.000 1.120 524 W HN 0.003 nan 8.180 nan 0.000 0.551 525 N N -1.184 117.638 118.700 0.204 0.000 2.388 525 N HA -0.041 4.698 4.740 -0.001 0.000 0.176 525 N C 1.505 177.019 175.510 0.007 0.000 1.062 525 N CA 0.712 53.799 53.050 0.062 0.000 0.895 525 N CB -0.065 38.469 38.487 0.078 0.000 1.018 525 N HN 0.120 nan 8.380 nan 0.000 0.456 526 Q N -0.857 118.963 119.800 0.033 0.000 2.619 526 Q HA 0.262 4.601 4.340 -0.001 0.000 0.230 526 Q C 1.506 177.507 176.000 0.001 0.000 0.871 526 Q CA -0.216 55.604 55.803 0.028 0.000 0.934 526 Q CB -0.288 28.498 28.738 0.081 0.000 1.183 526 Q HN 0.409 nan 8.270 nan 0.000 0.631 527 F N 1.490 121.337 119.950 -0.170 0.000 2.098 527 F HA 0.027 4.554 4.527 -0.001 0.000 0.294 527 F C 1.947 177.543 175.800 -0.339 0.000 1.107 527 F CA 1.338 59.203 58.000 -0.224 0.000 1.234 527 F CB -0.434 38.447 39.000 -0.198 0.000 1.002 527 F HN 0.216 nan 8.300 nan 0.000 0.472 528 L N 1.390 122.238 121.223 -0.625 0.000 2.012 528 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 528 L C -0.925 175.688 176.870 -0.429 0.000 1.073 528 L CA 2.242 56.654 54.840 -0.714 0.000 0.748 528 L CB -1.950 39.592 42.059 -0.862 0.000 0.891 528 L HN 0.013 nan 8.230 nan 0.000 0.431 529 P HA -0.185 nan 4.420 nan 0.000 0.217 529 P C 1.488 178.668 177.300 -0.200 0.000 1.150 529 P CA 1.506 64.508 63.100 -0.164 0.000 0.832 529 P CB -0.051 31.586 31.700 -0.104 0.000 0.787 530 K N -0.465 119.787 120.400 -0.247 0.000 2.057 530 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 530 K C 1.921 178.341 176.600 -0.299 0.000 1.049 530 K CA 1.053 57.204 56.287 -0.228 0.000 0.931 530 K CB -0.754 31.627 32.500 -0.198 0.000 0.714 530 K HN -0.070 nan 8.250 nan 0.000 0.440 531 L N 1.644 122.567 121.223 -0.501 0.000 1.989 531 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 531 L C 1.886 178.597 176.870 -0.264 0.000 1.071 531 L CA 1.689 56.245 54.840 -0.473 0.000 0.749 531 L CB -0.762 40.877 42.059 -0.701 0.000 0.890 531 L HN 0.258 nan 8.230 nan 0.000 0.431 532 L N -0.426 120.662 121.223 -0.225 0.000 2.131 532 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 532 L C 2.262 179.073 176.870 -0.099 0.000 1.092 532 L CA 1.410 56.170 54.840 -0.133 0.000 0.759 532 L CB -0.664 41.344 42.059 -0.086 0.000 0.903 532 L HN 0.416 nan 8.230 nan 0.000 0.435 533 N N 0.077 118.712 118.700 -0.107 0.000 2.216 533 N HA -0.095 4.644 4.740 -0.001 0.000 0.183 533 N C 1.784 177.250 175.510 -0.072 0.000 1.017 533 N CA 1.186 54.189 53.050 -0.078 0.000 0.861 533 N CB 0.060 38.502 38.487 -0.075 0.000 0.986 533 N HN 0.256 nan 8.380 nan 0.000 0.428 534 A N -0.432 122.333 122.820 -0.091 0.000 1.897 534 A HA 0.013 4.332 4.320 -0.001 0.000 0.215 534 A C 1.406 178.954 177.584 -0.060 0.000 1.181 534 A CA 1.476 53.469 52.037 -0.073 0.000 0.620 534 A CB -1.194 17.755 19.000 -0.085 0.000 0.821 534 A HN 0.501 nan 8.150 nan 0.000 0.443 535 T N 0.000 114.512 114.554 -0.070 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658