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 1w4l_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 EPXXXESKWP 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 0.000 174.651 174.600 0.085 0.000 1.055 4 S CA 0.000 58.233 58.200 0.055 0.000 1.107 4 S CB 0.000 63.232 63.200 0.053 0.000 0.593 5 E N 2.525 122.778 120.200 0.089 0.000 2.204 5 E HA -0.014 4.335 4.350 -0.001 0.000 0.195 5 E C 1.036 177.764 176.600 0.213 0.000 0.990 5 E CA 1.170 57.650 56.400 0.134 0.000 0.821 5 E CB -0.076 29.689 29.700 0.108 0.000 0.750 5 E HN 0.728 nan 8.360 nan 0.000 0.477 6 L N 0.893 122.206 121.223 0.150 0.000 2.592 6 L HA 0.170 4.510 4.340 -0.001 0.000 0.227 6 L C 0.153 177.210 176.870 0.312 0.000 1.127 6 L CA -0.367 54.559 54.840 0.143 0.000 0.884 6 L CB 0.333 42.376 42.059 -0.026 0.000 1.065 6 L HN 0.124 nan 8.230 nan 0.000 0.457 7 L N 0.535 121.920 121.223 0.271 0.000 2.313 7 L HA 0.580 4.920 4.340 -0.001 0.000 0.283 7 L C -0.719 176.250 176.870 0.165 0.000 1.013 7 L CA -0.276 54.708 54.840 0.241 0.000 0.816 7 L CB 1.706 43.845 42.059 0.134 0.000 1.236 7 L HN -0.320 nan 8.230 nan 0.000 0.419 8 V N 4.855 124.834 119.914 0.108 0.000 2.638 8 V HA 0.491 4.611 4.120 -0.001 0.000 0.306 8 V C -0.549 175.454 176.094 -0.152 0.000 1.052 8 V CA -0.834 61.357 62.300 -0.182 0.000 0.885 8 V CB 2.006 33.380 31.823 -0.749 0.000 0.999 8 V HN 0.737 nan 8.190 nan 0.000 0.424 9 N N 2.712 121.276 118.700 -0.228 0.000 2.422 9 N HA 0.492 5.231 4.740 -0.001 0.000 0.266 9 N C -0.203 175.023 175.510 -0.475 0.000 1.007 9 N CA -0.004 52.892 53.050 -0.257 0.000 0.941 9 N CB 1.978 40.306 38.487 -0.264 0.000 1.115 9 N HN 0.927 nan 8.380 nan 0.000 0.492 10 T N -0.448 113.917 114.554 -0.315 0.000 2.927 10 T HA 0.385 4.734 4.350 -0.001 0.000 0.286 10 T C 1.129 175.599 174.700 -0.384 0.000 1.040 10 T CA -0.603 61.288 62.100 -0.349 0.000 1.010 10 T CB 1.482 70.406 68.868 0.093 0.000 1.177 10 T HN 0.310 nan 8.240 nan 0.000 0.546 11 K N 0.309 120.516 120.400 -0.323 0.000 2.360 11 K HA 0.008 4.328 4.320 -0.001 0.000 0.201 11 K C 1.841 178.297 176.600 -0.239 0.000 1.046 11 K CA 1.032 57.169 56.287 -0.250 0.000 0.945 11 K CB -0.088 32.321 32.500 -0.151 0.000 0.750 11 K HN 0.444 nan 8.250 nan 0.000 0.464 12 S N -0.277 115.281 115.700 -0.237 0.000 2.556 12 S HA 0.207 4.677 4.470 -0.001 0.000 0.216 12 S C 0.431 174.344 174.600 -1.145 0.000 0.970 12 S CA 0.195 58.122 58.200 -0.454 0.000 0.912 12 S CB 0.979 64.096 63.200 -0.138 0.000 0.790 12 S HN 0.547 nan 8.310 nan 0.000 0.504 13 G N 1.267 109.614 108.800 -0.755 0.000 2.353 13 G HA2 0.064 4.024 3.960 -0.001 0.000 0.424 13 G HA3 0.064 4.024 3.960 -0.001 0.000 0.424 13 G C -1.682 173.155 174.900 -0.105 0.000 1.320 13 G CA -1.139 43.500 45.100 -0.768 0.000 0.995 13 G HN 0.047 nan 8.290 nan 0.000 0.580 14 K N -0.733 119.773 120.400 0.175 0.000 2.185 14 K HA 0.625 4.944 4.320 -0.001 0.000 0.271 14 K C -0.619 176.340 176.600 0.598 0.000 1.013 14 K CA -0.503 55.965 56.287 0.301 0.000 0.943 14 K CB 2.129 34.762 32.500 0.223 0.000 0.998 14 K HN 0.424 nan 8.250 nan 0.000 0.468 15 V N 3.214 123.414 119.914 0.476 0.000 2.760 15 V HA 0.329 4.449 4.120 -0.001 0.000 0.309 15 V C -1.275 175.123 176.094 0.506 0.000 1.077 15 V CA -0.892 61.752 62.300 0.575 0.000 0.910 15 V CB 2.048 34.251 31.823 0.633 0.000 1.008 15 V HN 0.746 nan 8.190 nan 0.000 0.424 16 M N 4.940 124.807 119.600 0.445 0.000 2.181 16 M HA 0.787 5.266 4.480 -0.001 0.000 0.323 16 M C 0.097 176.520 176.300 0.204 0.000 1.004 16 M CA 0.156 55.647 55.300 0.319 0.000 0.941 16 M CB 1.371 34.073 32.600 0.170 0.000 1.579 16 M HN 0.688 nan 8.290 nan 0.000 0.427 17 G N 1.466 110.243 108.800 -0.038 0.000 2.574 17 G HA2 0.651 4.611 3.960 -0.001 0.000 0.248 17 G HA3 0.651 4.611 3.960 -0.001 0.000 0.248 17 G C -1.085 173.598 174.900 -0.360 0.000 1.422 17 G CA -0.369 44.401 45.100 -0.550 0.000 1.051 17 G HN 0.687 nan 8.290 nan 0.000 0.560 18 T N -1.580 112.723 114.554 -0.418 0.000 2.900 18 T HA 0.527 4.877 4.350 -0.001 0.000 0.303 18 T C -0.739 173.835 174.700 -0.211 0.000 1.142 18 T CA -0.684 61.272 62.100 -0.239 0.000 1.007 18 T CB 1.592 70.347 68.868 -0.188 0.000 1.156 18 T HN 0.603 nan 8.240 nan 0.000 0.490 19 R N 2.570 123.000 120.500 -0.117 0.000 2.308 19 R HA 0.658 4.998 4.340 -0.001 0.000 0.305 19 R C -0.511 175.791 176.300 0.003 0.000 1.053 19 R CA -0.496 55.574 56.100 -0.049 0.000 0.957 19 R CB 0.538 30.814 30.300 -0.040 0.000 1.022 19 R HN 0.520 nan 8.270 nan 0.000 0.461 20 V N 2.556 122.495 119.914 0.042 0.000 2.680 20 V HA 0.723 4.843 4.120 -0.001 0.000 0.309 20 V C -2.594 173.511 176.094 0.018 0.000 1.052 20 V CA -2.658 59.660 62.300 0.031 0.000 0.908 20 V CB 1.804 33.635 31.823 0.014 0.000 1.001 20 V HN 0.805 nan 8.190 nan 0.000 0.431 21 P HA 0.472 nan 4.420 nan 0.000 0.278 21 P C -1.000 176.109 177.300 -0.318 0.000 1.238 21 P CA -0.253 62.629 63.100 -0.364 0.000 0.794 21 P CB 1.663 33.173 31.700 -0.317 0.000 0.955 22 V N 2.994 122.647 119.914 -0.434 0.000 2.653 22 V HA 0.171 4.290 4.120 -0.001 0.000 0.298 22 V C 0.563 176.378 176.094 -0.466 0.000 1.097 22 V CA -0.952 61.090 62.300 -0.430 0.000 0.908 22 V CB 1.157 32.630 31.823 -0.583 0.000 1.024 22 V HN 0.480 nan 8.190 nan 0.000 0.435 23 L N 4.008 125.107 121.223 -0.207 0.000 3.762 23 L HA -0.279 4.060 4.340 -0.001 0.000 0.460 23 L C 1.211 177.973 176.870 -0.179 0.000 1.255 23 L CA 0.884 55.645 54.840 -0.131 0.000 0.783 23 L CB -1.428 40.606 42.059 -0.041 0.000 1.600 23 L HN 1.584 nan 8.230 nan 0.000 0.862 24 S N -3.223 112.359 115.700 -0.196 0.000 3.476 24 S HA -0.246 4.223 4.470 -0.001 0.000 0.309 24 S C 0.248 174.736 174.600 -0.186 0.000 1.222 24 S CA 1.475 59.577 58.200 -0.164 0.000 0.922 24 S CB -1.135 62.026 63.200 -0.065 0.000 1.023 24 S HN 1.033 nan 8.310 nan 0.000 0.591 25 S N -0.597 114.895 115.700 -0.346 0.000 3.081 25 S HA 0.895 5.365 4.470 -0.001 0.000 0.316 25 S C -1.078 173.264 174.600 -0.430 0.000 1.089 25 S CA -0.173 57.889 58.200 -0.232 0.000 0.897 25 S CB 1.205 64.291 63.200 -0.190 0.000 1.358 25 S HN 0.803 nan 8.310 nan 0.000 0.678 26 H N -0.560 118.428 119.070 -0.136 0.000 3.042 26 H HA 0.705 5.260 4.556 -0.001 0.000 0.346 26 H C -0.735 174.596 175.328 0.005 0.000 1.294 26 H CA -0.267 55.731 56.048 -0.083 0.000 1.141 26 H CB 1.373 31.116 29.762 -0.032 0.000 1.872 26 H HN 0.750 nan 8.280 nan 0.000 0.541 27 I N -2.250 118.416 120.570 0.161 0.000 3.279 27 I HA 0.730 4.900 4.170 -0.001 0.000 0.315 27 I C -1.094 175.109 176.117 0.143 0.000 1.225 27 I CA -0.997 60.416 61.300 0.188 0.000 0.947 27 I CB 2.518 40.664 38.000 0.243 0.000 1.293 27 I HN 0.419 nan 8.210 nan 0.000 0.468 28 S N 1.357 117.149 115.700 0.153 0.000 2.578 28 S HA 0.853 5.323 4.470 -0.001 0.000 0.283 28 S C -0.283 174.307 174.600 -0.016 0.000 1.195 28 S CA -0.529 57.683 58.200 0.021 0.000 1.050 28 S CB 1.565 64.806 63.200 0.069 0.000 1.012 28 S HN 0.887 nan 8.310 nan 0.000 0.511 29 A N 1.826 124.470 122.820 -0.293 0.000 2.393 29 A HA 0.791 5.111 4.320 -0.001 0.000 0.306 29 A C -1.442 175.809 177.584 -0.554 0.000 1.050 29 A CA -0.635 51.157 52.037 -0.408 0.000 0.724 29 A CB 0.558 19.274 19.000 -0.473 0.000 1.248 29 A HN 0.649 nan 8.150 nan 0.000 0.424 30 F N 2.657 122.470 119.950 -0.229 0.000 2.430 30 F HA 0.471 4.997 4.527 -0.000 0.000 0.362 30 F C -0.175 175.511 175.800 -0.190 0.000 1.103 30 F CA -0.322 57.631 58.000 -0.078 0.000 1.045 30 F CB 1.324 40.381 39.000 0.095 0.000 1.276 30 F HN 0.365 nan 8.300 nan 0.000 0.444 31 L N 2.137 123.318 121.223 -0.070 0.000 2.322 31 L HA 0.698 5.038 4.340 -0.001 0.000 0.279 31 L C 0.983 177.886 176.870 0.055 0.000 1.036 31 L CA -1.022 53.769 54.840 -0.082 0.000 0.807 31 L CB 1.533 43.461 42.059 -0.218 0.000 1.226 31 L HN 0.818 nan 8.230 nan 0.000 0.433 32 G N 2.981 111.838 108.800 0.096 0.000 2.246 32 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.273 32 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.273 32 G C -0.116 174.878 174.900 0.157 0.000 1.055 32 G CA -0.296 44.860 45.100 0.092 0.000 0.851 32 G HN 0.486 nan 8.290 nan 0.000 0.500 33 I N 2.310 122.901 120.570 0.035 0.000 2.396 33 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 33 I C -1.281 174.641 176.117 -0.325 0.000 1.056 33 I CA -2.066 59.077 61.300 -0.263 0.000 1.365 33 I CB 1.124 38.955 38.000 -0.282 0.000 1.407 33 I HN 0.020 nan 8.210 nan 0.000 0.509 34 P HA 0.062 nan 4.420 nan 0.000 0.275 34 P C -0.380 176.533 177.300 -0.645 0.000 1.227 34 P CA 0.012 62.603 63.100 -0.849 0.000 0.781 34 P CB 0.724 31.834 31.700 -0.984 0.000 0.906 35 F N 0.221 119.836 119.950 -0.560 0.000 2.798 35 F HA 0.742 5.269 4.527 -0.001 0.000 0.328 35 F C -0.067 175.629 175.800 -0.175 0.000 1.098 35 F CA -0.874 56.874 58.000 -0.419 0.000 1.172 35 F CB 0.056 38.789 39.000 -0.444 0.000 1.072 35 F HN 0.378 nan 8.300 nan 0.000 0.555 36 A N -0.032 122.454 122.820 -0.557 0.000 2.609 36 A HA 0.625 4.945 4.320 -0.001 0.000 0.291 36 A C -0.941 176.453 177.584 -0.317 0.000 1.096 36 A CA -0.757 51.099 52.037 -0.302 0.000 0.684 36 A CB 1.075 19.884 19.000 -0.319 0.000 1.282 36 A HN 0.038 nan 8.150 nan 0.000 0.412 37 E N 0.907 121.013 120.200 -0.156 0.000 2.383 37 E HA 0.302 4.651 4.350 -0.001 0.000 0.264 37 E C -2.337 174.166 176.600 -0.162 0.000 1.050 37 E CA -1.420 54.911 56.400 -0.116 0.000 0.896 37 E CB 0.101 29.776 29.700 -0.041 0.000 0.982 37 E HN 0.261 nan 8.360 nan 0.000 0.424 38 P HA 0.006 nan 4.420 nan 0.000 0.262 38 P C -2.253 174.989 177.300 -0.096 0.000 1.182 38 P CA -0.642 62.384 63.100 -0.124 0.000 0.761 38 P CB 0.050 31.717 31.700 -0.054 0.000 0.795 39 P HA 0.053 nan 4.420 nan 0.000 0.214 39 P C -0.490 176.759 177.300 -0.086 0.000 1.849 39 P CA -0.082 62.968 63.100 -0.083 0.000 1.022 39 P CB 0.066 31.719 31.700 -0.077 0.000 1.912 40 V N -1.866 118.004 119.914 -0.072 0.000 2.994 40 V HA 0.906 5.025 4.120 -0.001 0.000 0.318 40 V C 0.918 176.973 176.094 -0.065 0.000 1.085 40 V CA 0.207 62.464 62.300 -0.072 0.000 0.998 40 V CB 0.864 32.655 31.823 -0.054 0.000 1.063 40 V HN 0.586 nan 8.190 nan 0.000 0.447 41 G N 2.574 111.333 108.800 -0.069 0.000 2.596 41 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.304 41 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.304 41 G C 0.574 175.434 174.900 -0.068 0.000 1.189 41 G CA 1.109 46.174 45.100 -0.058 0.000 0.986 41 G HN 1.134 nan 8.290 nan 0.000 0.548 42 N N 0.577 119.255 118.700 -0.035 0.000 2.573 42 N HA 0.150 4.889 4.740 -0.001 0.000 0.187 42 N C 2.220 177.717 175.510 -0.022 0.000 1.107 42 N CA 1.204 54.244 53.050 -0.017 0.000 0.918 42 N CB -0.103 38.391 38.487 0.011 0.000 0.966 42 N HN 0.510 nan 8.380 nan 0.000 0.448 43 M N -0.494 119.081 119.600 -0.043 0.000 2.556 43 M HA 0.049 4.528 4.480 -0.001 0.000 0.245 43 M C 0.521 176.770 176.300 -0.086 0.000 1.128 43 M CA -0.064 55.211 55.300 -0.041 0.000 1.069 43 M CB 0.313 32.892 32.600 -0.036 0.000 1.469 43 M HN 0.008 nan 8.290 nan 0.000 0.494 44 R N 0.757 121.150 120.500 -0.178 0.000 2.538 44 R HA -0.078 4.261 4.340 -0.001 0.000 0.282 44 R C -0.440 175.600 176.300 -0.434 0.000 1.009 44 R CA 0.739 56.597 56.100 -0.404 0.000 1.063 44 R CB 0.165 30.087 30.300 -0.630 0.000 0.945 44 R HN 0.250 nan 8.270 nan 0.000 0.414 45 F N -0.420 119.523 119.950 -0.013 0.000 2.502 45 F HA -0.282 4.245 4.527 -0.001 0.000 0.480 45 F C 0.449 176.225 175.800 -0.040 0.000 0.543 45 F CA 0.847 58.815 58.000 -0.053 0.000 1.350 45 F CB -1.381 37.573 39.000 -0.077 0.000 1.999 45 F HN 0.623 nan 8.300 nan 0.000 0.267 46 R N 1.588 122.147 120.500 0.099 0.000 2.560 46 R HA 0.502 4.841 4.340 -0.001 0.000 0.270 46 R C 0.678 177.003 176.300 0.040 0.000 1.074 46 R CA -0.919 55.221 56.100 0.066 0.000 1.140 46 R CB 0.579 30.904 30.300 0.042 0.000 1.073 46 R HN 0.104 nan 8.270 nan 0.000 0.527 47 R N 2.062 122.587 120.500 0.042 0.000 2.698 47 R HA 0.029 4.368 4.340 -0.001 0.000 0.266 47 R C -1.842 174.481 176.300 0.038 0.000 1.026 47 R CA -0.876 55.249 56.100 0.042 0.000 1.102 47 R CB -0.250 30.081 30.300 0.051 0.000 0.978 47 R HN 0.429 nan 8.270 nan 0.000 0.436 48 P HA 0.091 nan 4.420 nan 0.000 0.272 48 P C -0.721 176.608 177.300 0.047 0.000 1.223 48 P CA 0.056 63.182 63.100 0.043 0.000 0.784 48 P CB 0.706 32.456 31.700 0.084 0.000 0.923 49 E N 2.550 122.765 120.200 0.026 0.000 2.195 49 E HA 0.489 4.839 4.350 -0.001 0.000 0.271 49 E C -2.571 174.056 176.600 0.044 0.000 0.923 49 E CA -2.563 53.859 56.400 0.036 0.000 0.790 49 E CB 0.404 30.117 29.700 0.022 0.000 1.155 49 E HN 0.412 nan 8.360 nan 0.000 0.402 50 P HA 0.121 nan 4.420 nan 0.000 0.269 50 P C -0.517 176.833 177.300 0.084 0.000 1.209 50 P CA -0.330 62.836 63.100 0.109 0.000 0.776 50 P CB 0.781 32.555 31.700 0.124 0.000 0.876 51 K N 3.457 123.914 120.400 0.096 0.000 2.412 51 K HA 0.046 4.366 4.320 -0.001 0.000 0.281 51 K C 0.172 176.864 176.600 0.153 0.000 1.027 51 K CA 0.195 56.535 56.287 0.090 0.000 0.989 51 K CB 0.018 32.573 32.500 0.092 0.000 0.935 51 K HN 0.163 nan 8.250 nan 0.000 0.475 52 K N 5.660 126.148 120.400 0.147 0.000 2.350 52 K HA 0.183 4.503 4.320 -0.001 0.000 0.279 52 K C -2.269 174.444 176.600 0.188 0.000 1.027 52 K CA -1.946 54.424 56.287 0.138 0.000 0.969 52 K CB 0.125 32.698 32.500 0.122 0.000 0.954 52 K HN 0.550 nan 8.250 nan 0.000 0.474 53 P HA -0.007 nan 4.420 nan 0.000 0.268 53 P C -0.861 176.459 177.300 0.033 0.000 1.208 53 P CA 0.025 63.051 63.100 -0.122 0.000 0.777 53 P CB 0.252 31.842 31.700 -0.184 0.000 0.875 54 W N 0.982 122.360 121.300 0.130 0.000 2.781 54 W HA 0.690 5.350 4.660 -0.001 0.000 0.345 54 W C -0.592 176.002 176.519 0.125 0.000 1.085 54 W CA -0.892 56.546 57.345 0.154 0.000 1.198 54 W CB 0.132 29.752 29.460 0.266 0.000 1.423 54 W HN 0.362 nan 8.180 nan 0.000 0.532 55 S N 1.756 117.611 115.700 0.258 0.000 2.730 55 S HA 0.897 5.366 4.470 -0.001 0.000 0.284 55 S C 0.469 175.249 174.600 0.299 0.000 1.153 55 S CA -0.030 58.268 58.200 0.163 0.000 0.995 55 S CB 0.873 64.135 63.200 0.103 0.000 1.058 55 S HN 2.166 nan 8.310 nan 0.000 0.552 56 G N -0.856 108.072 108.800 0.214 0.000 2.725 56 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.220 56 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.220 56 G C -0.983 174.115 174.900 0.330 0.000 1.357 56 G CA -0.420 44.814 45.100 0.222 0.000 0.866 56 G HN 1.576 nan 8.290 nan 0.000 0.548 57 V N 0.746 120.810 119.914 0.249 0.000 2.409 57 V HA 0.522 4.641 4.120 -0.001 0.000 0.291 57 V C 0.229 176.449 176.094 0.209 0.000 1.020 57 V CA -0.598 61.872 62.300 0.284 0.000 0.848 57 V CB 1.813 33.741 31.823 0.175 0.000 0.990 57 V HN 0.742 nan 8.190 nan 0.000 0.430 58 W N 5.447 126.832 121.300 0.141 0.000 2.311 58 W HA 0.229 4.889 4.660 -0.001 0.000 0.310 58 W C 0.245 176.757 176.519 -0.011 0.000 1.274 58 W CA -0.370 56.900 57.345 -0.125 0.000 1.215 58 W CB 0.922 30.131 29.460 -0.418 0.000 1.227 58 W HN 0.644 nan 8.180 nan 0.000 0.523 59 N N 4.686 123.188 118.700 -0.330 0.000 2.399 59 N HA 0.175 4.914 4.740 -0.001 0.000 0.259 59 N C -0.462 175.081 175.510 0.055 0.000 1.160 59 N CA 0.246 53.218 53.050 -0.130 0.000 0.946 59 N CB 0.907 39.244 38.487 -0.250 0.000 1.156 59 N HN 0.381 nan 8.380 nan 0.000 0.489 60 A N 2.817 125.763 122.820 0.210 0.000 3.106 60 A HA 0.186 4.506 4.320 -0.001 0.000 0.306 60 A C 1.079 178.685 177.584 0.037 0.000 1.192 60 A CA -0.401 51.778 52.037 0.236 0.000 0.994 60 A CB -0.474 18.751 19.000 0.376 0.000 1.107 60 A HN 0.644 nan 8.150 nan 0.000 0.585 61 S N -0.826 114.855 115.700 -0.032 0.000 2.517 61 S HA 0.152 4.622 4.470 -0.001 0.000 0.214 61 S C 0.778 175.295 174.600 -0.138 0.000 0.991 61 S CA 0.653 58.788 58.200 -0.108 0.000 0.906 61 S CB -0.277 62.865 63.200 -0.097 0.000 0.789 61 S HN 0.870 nan 8.310 nan 0.000 0.513 62 T N -1.146 113.345 114.554 -0.104 0.000 2.903 62 T HA 0.615 4.965 4.350 -0.001 0.000 0.299 62 T C -0.875 173.805 174.700 -0.035 0.000 1.093 62 T CA -0.789 61.245 62.100 -0.110 0.000 1.002 62 T CB 0.661 69.486 68.868 -0.072 0.000 1.127 62 T HN 0.051 nan 8.240 nan 0.000 0.488 63 Y N 3.029 123.296 120.300 -0.055 0.000 2.805 63 Y HA 0.275 4.824 4.550 -0.001 0.000 0.337 63 Y C -1.361 174.477 175.900 -0.103 0.000 1.252 63 Y CA -1.205 56.865 58.100 -0.050 0.000 1.515 63 Y CB 0.013 38.466 38.460 -0.012 0.000 1.305 63 Y HN 0.539 nan 8.280 nan 0.000 0.600 64 P HA 0.089 nan 4.420 nan 0.000 0.279 64 P C -0.608 176.623 177.300 -0.116 0.000 1.276 64 P CA -0.531 62.450 63.100 -0.199 0.000 0.801 64 P CB 0.939 32.454 31.700 -0.308 0.000 1.127 65 N N 0.329 118.939 118.700 -0.150 0.000 2.371 65 N HA 0.090 4.829 4.740 -0.001 0.000 0.243 65 N C 0.072 175.557 175.510 -0.042 0.000 1.287 65 N CA 0.250 53.253 53.050 -0.079 0.000 0.911 65 N CB -0.165 38.285 38.487 -0.061 0.000 1.142 65 N HN 0.433 nan 8.380 nan 0.000 0.451 66 N N -0.834 117.828 118.700 -0.062 0.000 2.466 66 N HA 0.305 5.045 4.740 -0.001 0.000 0.294 66 N C -0.435 175.030 175.510 -0.074 0.000 1.129 66 N CA -0.714 52.291 53.050 -0.075 0.000 0.931 66 N CB 1.100 39.515 38.487 -0.119 0.000 1.193 66 N HN 0.403 nan 8.380 nan 0.000 0.500 67 c N 1.170 119.727 118.600 -0.072 0.000 2.700 67 c HA 0.037 4.607 4.570 -0.001 0.000 0.397 67 c C 0.709 174.703 174.090 -0.160 0.000 1.301 67 c CA -0.547 55.717 56.329 -0.110 0.000 2.219 67 c CB -0.114 42.358 42.510 -0.063 0.000 2.699 67 c HN 0.533 nan 8.230 nan 0.000 0.669 68 Q N 2.384 122.003 119.800 -0.301 0.000 2.300 68 Q HA 0.237 4.577 4.340 -0.001 0.000 0.280 68 Q C -0.073 175.850 176.000 -0.130 0.000 1.033 68 Q CA 0.942 56.548 55.803 -0.329 0.000 0.903 68 Q CB 0.567 28.847 28.738 -0.764 0.000 1.195 68 Q HN 0.890 nan 8.270 nan 0.000 0.386 69 Q N 1.221 121.039 119.800 0.030 0.000 2.578 69 Q HA 0.267 4.606 4.340 -0.001 0.000 0.284 69 Q C -1.382 174.774 176.000 0.260 0.000 0.960 69 Q CA -0.979 54.942 55.803 0.198 0.000 0.809 69 Q CB 0.625 29.449 28.738 0.143 0.000 1.462 69 Q HN 0.480 nan 8.270 nan 0.000 0.392 70 Y N 1.250 121.726 120.300 0.293 0.000 2.620 70 Y HA 0.311 4.861 4.550 -0.001 0.000 0.330 70 Y C -0.890 175.188 175.900 0.297 0.000 1.186 70 Y CA 0.327 58.624 58.100 0.329 0.000 1.467 70 Y CB 0.819 39.561 38.460 0.469 0.000 1.262 70 Y HN 0.451 nan 8.280 nan 0.000 0.550 71 V N 6.992 126.707 119.914 -0.333 0.000 2.394 71 V HA 0.091 4.211 4.120 -0.001 0.000 0.282 71 V C -0.341 175.601 176.094 -0.253 0.000 1.031 71 V CA -0.989 61.209 62.300 -0.169 0.000 0.881 71 V CB 1.347 33.097 31.823 -0.121 0.000 0.982 71 V HN 0.733 nan 8.190 nan 0.000 0.451 72 D N 4.103 124.553 120.400 0.084 0.000 2.382 72 D HA 0.056 4.695 4.640 -0.001 0.000 0.259 72 D C 0.565 176.946 176.300 0.135 0.000 1.224 72 D CA 0.431 54.567 54.000 0.227 0.000 0.894 72 D CB 0.812 41.839 40.800 0.379 0.000 1.127 72 D HN 0.679 nan 8.370 nan 0.000 0.487 73 E N 2.520 122.767 120.200 0.079 0.000 2.734 73 E HA 0.012 4.361 4.350 -0.001 0.000 0.211 73 E C 0.981 177.558 176.600 -0.038 0.000 0.991 73 E CA -0.279 56.139 56.400 0.031 0.000 1.065 73 E CB 0.661 30.350 29.700 -0.018 0.000 1.047 73 E HN 0.415 nan 8.360 nan 0.000 0.470 74 Q N -0.540 119.207 119.800 -0.088 0.000 2.124 74 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 74 Q C -0.045 175.436 176.000 -0.866 0.000 0.977 74 Q CA 1.125 56.595 55.803 -0.555 0.000 0.850 74 Q CB 0.233 28.432 28.738 -0.898 0.000 0.901 74 Q HN 0.221 nan 8.270 nan 0.000 0.429 75 F N 0.090 120.121 119.950 0.134 0.000 2.710 75 F HA 0.348 4.875 4.527 -0.001 0.000 0.345 75 F C -2.189 173.700 175.800 0.149 0.000 1.362 75 F CA -2.914 55.145 58.000 0.099 0.000 1.175 75 F CB 1.023 40.074 39.000 0.085 0.000 1.561 75 F HN -0.199 nan 8.300 nan 0.000 0.593 76 P HA 0.103 nan 4.420 nan 0.000 0.260 76 P C 1.043 178.434 177.300 0.152 0.000 1.172 76 P CA 1.358 64.537 63.100 0.132 0.000 0.760 76 P CB 0.584 32.324 31.700 0.068 0.000 0.773 77 G N 2.543 111.419 108.800 0.125 0.000 2.189 77 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.267 77 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.267 77 G C 0.066 175.035 174.900 0.114 0.000 0.975 77 G CA -0.276 44.877 45.100 0.088 0.000 0.644 77 G HN 0.551 nan 8.290 nan 0.000 0.537 78 F N 2.852 122.808 119.950 0.010 0.000 2.467 78 F HA 0.514 5.041 4.527 -0.001 0.000 0.362 78 F C 1.631 177.355 175.800 -0.126 0.000 1.090 78 F CA -0.167 57.781 58.000 -0.087 0.000 1.202 78 F CB 1.136 40.082 39.000 -0.091 0.000 1.113 78 F HN 0.223 nan 8.300 nan 0.000 0.541 79 S N 3.348 118.590 115.700 -0.763 0.000 2.402 79 S HA -0.077 4.393 4.470 -0.001 0.000 0.229 79 S C 2.170 176.305 174.600 -0.776 0.000 1.021 79 S CA 0.810 58.622 58.200 -0.646 0.000 0.974 79 S CB -1.210 61.676 63.200 -0.524 0.000 0.800 79 S HN 0.852 nan 8.310 nan 0.000 0.484 80 G N 1.640 109.489 108.800 -1.585 0.000 2.450 80 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.220 80 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.220 80 G C 1.721 176.740 174.900 0.198 0.000 1.130 80 G CA 1.354 45.845 45.100 -1.015 0.000 0.760 80 G HN 0.806 nan 8.290 nan 0.000 0.557 81 S N -0.435 115.435 115.700 0.283 0.000 2.502 81 S HA 0.142 4.611 4.470 -0.001 0.000 0.228 81 S C 1.875 176.741 174.600 0.444 0.000 1.061 81 S CA 0.900 59.589 58.200 0.814 0.000 0.935 81 S CB 0.053 63.895 63.200 1.070 0.000 0.809 81 S HN 0.302 nan 8.310 nan 0.000 0.510 82 E N 1.739 122.042 120.200 0.172 0.000 2.338 82 E HA -0.003 4.346 4.350 -0.001 0.000 0.197 82 E C 2.036 178.591 176.600 -0.075 0.000 1.007 82 E CA 1.157 57.597 56.400 0.066 0.000 0.849 82 E CB -0.411 29.296 29.700 0.012 0.000 0.774 82 E HN 0.862 nan 8.360 nan 0.000 0.506 83 M N -1.954 117.505 119.600 -0.234 0.000 2.446 83 M HA -0.084 4.396 4.480 -0.001 0.000 0.263 83 M C 0.888 176.830 176.300 -0.596 0.000 1.066 83 M CA 1.328 56.335 55.300 -0.488 0.000 1.087 83 M CB -0.296 31.886 32.600 -0.698 0.000 1.406 83 M HN 0.053 nan 8.290 nan 0.000 0.459 84 W N 0.727 121.995 121.300 -0.053 0.000 3.013 84 W HA 0.281 4.941 4.660 -0.001 0.000 0.280 84 W C 0.533 176.984 176.519 -0.114 0.000 1.249 84 W CA -0.926 56.356 57.345 -0.106 0.000 1.577 84 W CB -0.050 29.391 29.460 -0.032 0.000 1.057 84 W HN 0.096 nan 8.180 nan 0.000 0.613 85 N N 1.596 120.361 118.700 0.109 0.000 2.467 85 N HA 0.125 4.865 4.740 -0.001 0.000 0.262 85 N C -2.449 173.037 175.510 -0.040 0.000 1.234 85 N CA -1.399 51.680 53.050 0.050 0.000 0.952 85 N CB -0.031 38.492 38.487 0.060 0.000 1.158 85 N HN -0.337 nan 8.380 nan 0.000 0.463 86 P HA 0.054 nan 4.420 nan 0.000 0.265 86 P C 0.200 177.447 177.300 -0.089 0.000 1.193 86 P CA 0.042 63.086 63.100 -0.093 0.000 0.765 86 P CB 0.307 31.960 31.700 -0.078 0.000 0.823 87 N N 2.293 120.924 118.700 -0.115 0.000 2.204 87 N HA 0.070 4.809 4.740 -0.001 0.000 0.219 87 N C 0.207 175.671 175.510 -0.076 0.000 1.151 87 N CA 0.031 53.023 53.050 -0.096 0.000 0.867 87 N CB 0.418 38.836 38.487 -0.114 0.000 1.043 87 N HN 0.180 nan 8.380 nan 0.000 0.516 88 R N -0.483 119.968 120.500 -0.082 0.000 2.950 88 R HA 0.335 4.675 4.340 -0.001 0.000 0.253 88 R C -0.803 175.460 176.300 -0.061 0.000 1.168 88 R CA -0.673 55.390 56.100 -0.061 0.000 1.014 88 R CB 0.593 30.851 30.300 -0.070 0.000 1.228 88 R HN 0.038 nan 8.270 nan 0.000 0.487 89 E N 0.860 121.027 120.200 -0.054 0.000 2.383 89 E HA 0.182 4.532 4.350 -0.001 0.000 0.264 89 E C -0.016 176.547 176.600 -0.063 0.000 1.050 89 E CA -0.019 56.349 56.400 -0.053 0.000 0.896 89 E CB 0.699 30.369 29.700 -0.049 0.000 0.982 89 E HN 0.273 nan 8.360 nan 0.000 0.424 90 M N 2.273 121.834 119.600 -0.065 0.000 2.249 90 M HA 0.391 4.871 4.480 -0.001 0.000 0.351 90 M C 0.081 176.328 176.300 -0.088 0.000 1.180 90 M CA 0.045 55.296 55.300 -0.082 0.000 1.127 90 M CB 1.669 34.218 32.600 -0.085 0.000 1.546 90 M HN 0.486 nan 8.290 nan 0.000 0.461 91 S N 0.597 116.234 115.700 -0.105 0.000 2.537 91 S HA 0.251 4.720 4.470 -0.001 0.000 0.271 91 S C 0.084 174.595 174.600 -0.149 0.000 1.148 91 S CA -0.686 57.450 58.200 -0.106 0.000 0.868 91 S CB 1.490 64.656 63.200 -0.057 0.000 1.115 91 S HN 0.825 nan 8.310 nan 0.000 0.461 92 E N 0.960 121.053 120.200 -0.177 0.000 2.347 92 E HA -0.070 4.280 4.350 -0.001 0.000 0.196 92 E C -0.312 176.222 176.600 -0.110 0.000 1.008 92 E CA 0.474 56.749 56.400 -0.208 0.000 0.852 92 E CB 0.101 29.684 29.700 -0.195 0.000 0.783 92 E HN 0.510 nan 8.360 nan 0.000 0.505 93 D N 0.528 120.898 120.400 -0.050 0.000 2.483 93 D HA -0.002 4.637 4.640 -0.001 0.000 0.220 93 D C -0.044 176.331 176.300 0.125 0.000 1.173 93 D CA -0.316 53.696 54.000 0.020 0.000 0.964 93 D CB -0.017 40.819 40.800 0.060 0.000 1.046 93 D HN 0.137 nan 8.370 nan 0.000 0.517 94 c N 2.600 121.239 118.600 0.065 0.000 3.722 94 c HA 0.387 4.956 4.570 -0.001 0.000 0.279 94 c C 0.455 174.595 174.090 0.083 0.000 1.819 94 c CA -0.724 55.707 56.329 0.170 0.000 1.744 94 c CB -1.314 41.224 42.510 0.046 0.000 3.247 94 c HN 0.427 nan 8.230 nan 0.000 0.549 95 L N 2.572 123.588 121.223 -0.346 0.000 2.387 95 L HA 0.454 4.794 4.340 -0.001 0.000 0.267 95 L C -0.912 175.144 176.870 -1.356 0.000 1.197 95 L CA 0.371 54.765 54.840 -0.744 0.000 1.070 95 L CB -0.484 41.048 42.059 -0.878 0.000 1.349 95 L HN 0.369 nan 8.230 nan 0.000 0.422 96 Y N 2.107 122.260 120.300 -0.245 0.000 2.605 96 Y HA 0.668 5.218 4.550 -0.000 0.000 0.343 96 Y C -0.115 175.964 175.900 0.298 0.000 1.036 96 Y CA -1.260 56.801 58.100 -0.065 0.000 1.065 96 Y CB 1.953 40.380 38.460 -0.056 0.000 1.288 96 Y HN 0.210 nan 8.280 nan 0.000 0.481 97 L N -0.145 121.275 121.223 0.328 0.000 2.333 97 L HA 0.771 5.110 4.340 -0.001 0.000 0.263 97 L C -1.232 175.699 176.870 0.102 0.000 1.014 97 L CA -1.139 53.823 54.840 0.203 0.000 0.820 97 L CB 1.743 43.821 42.059 0.033 0.000 1.352 97 L HN 0.457 nan 8.230 nan 0.000 0.421 98 N N 1.574 120.336 118.700 0.103 0.000 2.269 98 N HA 0.714 5.453 4.740 -0.001 0.000 0.304 98 N C -1.323 174.132 175.510 -0.092 0.000 1.072 98 N CA -0.238 52.784 53.050 -0.046 0.000 0.802 98 N CB 2.746 41.199 38.487 -0.057 0.000 1.348 98 N HN 0.649 nan 8.380 nan 0.000 0.484 99 I N 0.457 120.894 120.570 -0.221 0.000 2.499 99 I HA 0.384 4.553 4.170 -0.001 0.000 0.288 99 I C -0.732 175.347 176.117 -0.063 0.000 1.048 99 I CA -0.721 60.544 61.300 -0.058 0.000 1.062 99 I CB 2.181 40.076 38.000 -0.174 0.000 1.238 99 I HN 0.241 nan 8.210 nan 0.000 0.426 100 W N 5.772 127.206 121.300 0.224 0.000 2.429 100 W HA 0.577 5.237 4.660 -0.001 0.000 0.314 100 W C -0.945 175.716 176.519 0.235 0.000 1.062 100 W CA -0.668 56.805 57.345 0.213 0.000 1.211 100 W CB 2.183 31.739 29.460 0.159 0.000 1.305 100 W HN 0.100 nan 8.180 nan 0.000 0.476 101 V N 5.065 125.248 119.914 0.447 0.000 2.444 101 V HA 0.246 4.366 4.120 -0.001 0.000 0.294 101 V C -1.982 174.306 176.094 0.323 0.000 1.022 101 V CA -2.340 60.193 62.300 0.389 0.000 0.850 101 V CB 1.806 33.923 31.823 0.491 0.000 0.992 101 V HN 0.266 nan 8.190 nan 0.000 0.426 102 P HA 0.046 nan 4.420 nan 0.000 0.269 102 P C -0.439 176.991 177.300 0.216 0.000 1.211 102 P CA 0.343 63.581 63.100 0.229 0.000 0.781 102 P CB 0.474 32.272 31.700 0.163 0.000 0.877 103 S N 1.334 117.158 115.700 0.207 0.000 2.605 103 S HA 0.532 5.002 4.470 -0.001 0.000 0.308 103 S C -2.427 172.260 174.600 0.144 0.000 1.113 103 S CA -1.527 56.776 58.200 0.172 0.000 1.049 103 S CB 0.106 63.406 63.200 0.167 0.000 1.001 103 S HN 0.262 nan 8.310 nan 0.000 0.480 104 P HA 0.180 nan 4.420 nan 0.000 0.272 104 P C -0.509 176.863 177.300 0.120 0.000 1.230 104 P CA -0.595 62.568 63.100 0.106 0.000 0.788 104 P CB 0.418 32.166 31.700 0.079 0.000 0.949 105 R N 2.292 122.871 120.500 0.131 0.000 2.486 105 R HA 0.067 4.407 4.340 -0.001 0.000 0.303 105 R C -1.885 174.480 176.300 0.109 0.000 0.958 105 R CA -0.805 55.382 56.100 0.145 0.000 1.077 105 R CB -0.474 29.913 30.300 0.146 0.000 0.921 105 R HN 0.369 nan 8.270 nan 0.000 0.406 106 P HA 0.052 nan 4.420 nan 0.000 0.273 106 P C -0.180 177.156 177.300 0.060 0.000 1.250 106 P CA -0.353 62.794 63.100 0.079 0.000 0.793 106 P CB 0.686 32.435 31.700 0.081 0.000 1.011 107 K N -0.608 119.814 120.400 0.037 0.000 2.168 107 K HA 0.144 4.463 4.320 -0.001 0.000 0.201 107 K C 0.562 177.161 176.600 -0.001 0.000 1.049 107 K CA 0.997 57.294 56.287 0.016 0.000 0.974 107 K CB -0.249 32.256 32.500 0.009 0.000 0.792 107 K HN 0.335 nan 8.250 nan 0.000 0.463 108 S N 0.908 116.610 115.700 0.003 0.000 2.689 108 S HA 0.172 4.642 4.470 -0.001 0.000 0.151 108 S C -1.061 173.540 174.600 0.001 0.000 1.155 108 S CA -0.369 57.824 58.200 -0.013 0.000 1.144 108 S CB 0.366 63.548 63.200 -0.030 0.000 1.526 108 S HN 0.150 nan 8.310 nan 0.000 0.419 109 T N 1.721 116.286 114.554 0.019 0.000 2.938 109 T HA 0.590 4.940 4.350 -0.001 0.000 0.285 109 T C 0.043 174.758 174.700 0.025 0.000 1.028 109 T CA -0.102 62.012 62.100 0.024 0.000 1.005 109 T CB 1.283 70.177 68.868 0.043 0.000 1.157 109 T HN 0.429 nan 8.240 nan 0.000 0.550 110 T N 2.139 116.705 114.554 0.019 0.000 2.905 110 T HA 0.288 4.638 4.350 -0.001 0.000 0.299 110 T C -0.286 174.440 174.700 0.043 0.000 1.024 110 T CA -0.052 62.057 62.100 0.015 0.000 1.151 110 T CB 0.045 68.912 68.868 -0.002 0.000 0.987 110 T HN 0.394 nan 8.240 nan 0.000 0.535 111 V N 5.369 125.314 119.914 0.052 0.000 2.555 111 V HA 0.531 4.650 4.120 -0.001 0.000 0.302 111 V C 0.001 176.157 176.094 0.103 0.000 1.038 111 V CA -0.782 61.574 62.300 0.092 0.000 0.887 111 V CB 1.775 33.656 31.823 0.097 0.000 0.991 111 V HN 0.831 nan 8.190 nan 0.000 0.434 112 M N 4.378 124.068 119.600 0.150 0.000 2.326 112 M HA 0.597 5.077 4.480 -0.001 0.000 0.306 112 M C -1.416 175.134 176.300 0.417 0.000 1.054 112 M CA -0.695 54.719 55.300 0.190 0.000 0.922 112 M CB 2.360 34.940 32.600 -0.034 0.000 1.632 112 M HN 0.346 nan 8.290 nan 0.000 0.436 113 V N 2.794 123.007 119.914 0.499 0.000 2.407 113 V HA 0.333 4.453 4.120 -0.001 0.000 0.291 113 V C -0.865 175.520 176.094 0.484 0.000 1.018 113 V CA -0.646 61.915 62.300 0.434 0.000 0.842 113 V CB 1.644 33.592 31.823 0.208 0.000 0.996 113 V HN 0.874 nan 8.190 nan 0.000 0.426 114 W N 6.926 128.314 121.300 0.147 0.000 2.316 114 W HA 0.605 5.265 4.660 -0.001 0.000 0.311 114 W C -1.241 175.172 176.519 -0.176 0.000 1.217 114 W CA -0.645 56.532 57.345 -0.281 0.000 1.199 114 W CB 1.105 30.422 29.460 -0.237 0.000 1.202 114 W HN 0.444 nan 8.180 nan 0.000 0.528 115 I N 9.250 129.251 120.570 -0.949 0.000 2.382 115 I HA 0.060 4.229 4.170 -0.001 0.000 0.285 115 I C -0.234 175.131 176.117 -1.253 0.000 1.007 115 I CA -1.126 59.677 61.300 -0.828 0.000 1.142 115 I CB 0.636 38.302 38.000 -0.557 0.000 1.289 115 I HN 0.296 nan 8.210 nan 0.000 0.453 116 Y N 4.633 124.465 120.300 -0.781 0.000 2.457 116 Y HA 0.618 5.167 4.550 -0.001 0.000 0.341 116 Y C 0.770 176.493 175.900 -0.294 0.000 1.240 116 Y CA -0.792 56.942 58.100 -0.610 0.000 1.437 116 Y CB -0.085 38.301 38.460 -0.123 0.000 1.328 116 Y HN 0.527 nan 8.280 nan 0.000 0.588 117 G N -0.594 108.213 108.800 0.011 0.000 2.583 117 G HA2 0.494 4.454 3.960 -0.001 0.000 0.280 117 G HA3 0.494 4.454 3.960 -0.001 0.000 0.280 117 G C 0.279 175.146 174.900 -0.054 0.000 1.376 117 G CA -0.913 44.135 45.100 -0.087 0.000 1.043 117 G HN 1.713 nan 8.290 nan 0.000 0.538 118 G N -2.913 105.689 108.800 -0.330 0.000 2.332 118 G HA2 0.418 4.378 3.960 -0.001 0.000 0.216 118 G HA3 0.418 4.378 3.960 -0.001 0.000 0.216 118 G C 1.006 175.399 174.900 -0.846 0.000 1.041 118 G CA 0.719 45.494 45.100 -0.541 0.000 0.836 118 G HN 2.288 nan 8.290 nan 0.000 0.530 119 G N -0.458 107.859 108.800 -0.805 0.000 2.187 119 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.261 119 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.261 119 G C 0.930 175.688 174.900 -0.236 0.000 1.000 119 G CA 0.823 45.356 45.100 -0.945 0.000 0.718 119 G HN 1.726 nan 8.290 nan 0.000 0.519 120 F N -3.502 116.389 119.950 -0.099 0.000 2.825 120 F HA -0.315 4.212 4.527 -0.001 0.000 0.358 120 F C 1.459 177.368 175.800 0.182 0.000 0.639 120 F CA 2.242 60.269 58.000 0.045 0.000 1.153 120 F CB -2.021 36.865 39.000 -0.189 0.000 1.610 120 F HN 0.917 nan 8.300 nan 0.000 0.305 121 Y N -1.097 119.283 120.300 0.132 0.000 2.500 121 Y HA 0.670 5.220 4.550 -0.001 0.000 0.246 121 Y C 0.577 176.557 175.900 0.134 0.000 1.146 121 Y CA 0.212 58.403 58.100 0.151 0.000 1.230 121 Y CB -0.036 38.420 38.460 -0.007 0.000 1.214 121 Y HN 0.079 nan 8.280 nan 0.000 0.526 122 S N -0.813 114.723 115.700 -0.274 0.000 2.752 122 S HA 0.902 5.371 4.470 -0.001 0.000 0.284 122 S C -0.205 174.248 174.600 -0.245 0.000 1.189 122 S CA -0.544 57.528 58.200 -0.214 0.000 0.835 122 S CB 1.490 64.494 63.200 -0.326 0.000 1.192 122 S HN 1.303 nan 8.310 nan 0.000 0.506 123 G N -0.427 108.194 108.800 -0.298 0.000 2.402 123 G HA2 0.428 4.388 3.960 -0.001 0.000 0.666 123 G HA3 0.428 4.388 3.960 -0.001 0.000 0.666 123 G C -1.048 173.236 174.900 -1.027 0.000 1.402 123 G CA -0.308 44.459 45.100 -0.555 0.000 0.920 123 G HN 1.368 nan 8.290 nan 0.000 0.651 124 S N -1.079 113.958 115.700 -1.106 0.000 2.537 124 S HA 0.683 5.153 4.470 -0.001 0.000 0.270 124 S C 0.898 175.303 174.600 -0.324 0.000 1.142 124 S CA 0.119 57.874 58.200 -0.742 0.000 0.870 124 S CB 1.784 64.785 63.200 -0.331 0.000 1.112 124 S HN 1.949 nan 8.310 nan 0.000 0.466 125 S N -0.203 115.514 115.700 0.029 0.000 2.558 125 S HA -0.034 4.435 4.470 -0.001 0.000 0.217 125 S C 1.315 176.021 174.600 0.178 0.000 0.975 125 S CA 0.809 59.240 58.200 0.385 0.000 0.912 125 S CB -0.557 62.901 63.200 0.430 0.000 0.776 125 S HN 0.844 nan 8.310 nan 0.000 0.526 126 T N -0.044 114.404 114.554 -0.177 0.000 3.069 126 T HA 0.409 4.759 4.350 -0.001 0.000 0.252 126 T C 0.479 174.918 174.700 -0.435 0.000 1.053 126 T CA -0.560 61.126 62.100 -0.689 0.000 0.964 126 T CB -0.549 67.759 68.868 -0.934 0.000 1.005 126 T HN 0.305 nan 8.240 nan 0.000 0.532 127 L N 2.185 123.233 121.223 -0.290 0.000 2.514 127 L HA 0.138 4.478 4.340 -0.001 0.000 0.280 127 L C 1.280 177.944 176.870 -0.343 0.000 1.223 127 L CA -0.450 54.147 54.840 -0.405 0.000 0.864 127 L CB 0.329 41.941 42.059 -0.747 0.000 1.118 127 L HN 0.088 nan 8.230 nan 0.000 0.494 128 D N 1.343 121.568 120.400 -0.292 0.000 2.158 128 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 128 D C 1.970 178.091 176.300 -0.299 0.000 0.995 128 D CA 1.284 55.164 54.000 -0.199 0.000 0.846 128 D CB -0.043 40.652 40.800 -0.176 0.000 0.941 128 D HN 0.529 nan 8.370 nan 0.000 0.456 129 V N -1.091 118.505 119.914 -0.530 0.000 2.913 129 V HA -0.164 3.956 4.120 -0.001 0.000 0.260 129 V C 1.246 176.914 176.094 -0.710 0.000 1.098 129 V CA 1.034 62.979 62.300 -0.591 0.000 1.121 129 V CB -1.074 30.292 31.823 -0.762 0.000 0.714 129 V HN 0.077 nan 8.190 nan 0.000 0.487 130 Y N 0.047 119.913 120.300 -0.724 0.000 2.524 130 Y HA 0.426 4.976 4.550 -0.001 0.000 0.266 130 Y C 1.069 176.573 175.900 -0.660 0.000 1.180 130 Y CA -1.835 55.526 58.100 -1.232 0.000 1.244 130 Y CB -1.056 37.007 38.460 -0.661 0.000 1.125 130 Y HN 0.243 nan 8.280 nan 0.000 0.524 131 N N 1.560 120.127 118.700 -0.220 0.000 2.417 131 N HA -0.031 4.709 4.740 -0.001 0.000 0.272 131 N C 1.289 176.533 175.510 -0.442 0.000 1.304 131 N CA 0.630 53.576 53.050 -0.173 0.000 0.906 131 N CB 1.064 39.541 38.487 -0.016 0.000 1.135 131 N HN 0.483 nan 8.380 nan 0.000 0.483 132 G N 3.331 111.261 108.800 -1.449 0.000 2.920 132 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.208 132 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.208 132 G C 1.413 175.656 174.900 -1.095 0.000 1.159 132 G CA 0.221 44.620 45.100 -1.169 0.000 0.784 132 G HN 0.747 nan 8.290 nan 0.000 0.535 133 K N -0.259 119.360 120.400 -1.303 0.000 2.097 133 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 133 K C 1.713 178.069 176.600 -0.407 0.000 1.049 133 K CA 1.065 56.931 56.287 -0.702 0.000 0.933 133 K CB -0.548 31.622 32.500 -0.551 0.000 0.717 133 K HN 0.379 nan 8.250 nan 0.000 0.442 134 Y N 1.092 121.309 120.300 -0.140 0.000 2.200 134 Y HA -0.161 4.389 4.550 -0.001 0.000 0.290 134 Y C 2.438 178.330 175.900 -0.013 0.000 1.137 134 Y CA 0.657 58.736 58.100 -0.035 0.000 1.163 134 Y CB -0.379 38.036 38.460 -0.075 0.000 0.988 134 Y HN 0.034 nan 8.280 nan 0.000 0.518 135 L N 0.428 121.674 121.223 0.039 0.000 2.027 135 L HA -0.072 4.268 4.340 -0.001 0.000 0.206 135 L C 2.391 179.266 176.870 0.009 0.000 1.074 135 L CA 1.902 56.718 54.840 -0.041 0.000 0.745 135 L CB -1.185 40.751 42.059 -0.205 0.000 0.898 135 L HN 0.145 nan 8.230 nan 0.000 0.433 136 A N -1.427 121.410 122.820 0.029 0.000 1.902 136 A HA -0.294 4.025 4.320 -0.001 0.000 0.217 136 A C 2.329 180.001 177.584 0.147 0.000 1.181 136 A CA 1.967 54.076 52.037 0.119 0.000 0.623 136 A CB -1.176 17.956 19.000 0.219 0.000 0.818 136 A HN 0.657 nan 8.150 nan 0.000 0.443 137 Y N 0.852 121.168 120.300 0.027 0.000 2.130 137 Y HA -0.166 4.383 4.550 -0.001 0.000 0.287 137 Y C 2.681 178.604 175.900 0.038 0.000 1.124 137 Y CA 2.370 60.492 58.100 0.038 0.000 1.118 137 Y CB -0.469 37.999 38.460 0.012 0.000 0.994 137 Y HN 0.293 nan 8.280 nan 0.000 0.497 138 T N 0.373 114.905 114.554 -0.036 0.000 2.788 138 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 138 T C 1.156 175.783 174.700 -0.121 0.000 1.044 138 T CA 1.659 63.671 62.100 -0.147 0.000 1.139 138 T CB -0.108 68.766 68.868 0.011 0.000 0.867 138 T HN 0.371 nan 8.240 nan 0.000 0.454 139 E N 0.463 120.639 120.200 -0.040 0.000 2.501 139 E HA 0.122 4.472 4.350 -0.001 0.000 0.201 139 E C -0.086 176.518 176.600 0.007 0.000 1.016 139 E CA -0.008 56.398 56.400 0.010 0.000 0.920 139 E CB 0.239 29.968 29.700 0.048 0.000 1.023 139 E HN 0.588 nan 8.360 nan 0.000 0.474 140 E N 0.298 120.487 120.200 -0.017 0.000 2.252 140 E HA -0.167 4.182 4.350 -0.001 0.000 0.218 140 E C -0.149 176.481 176.600 0.051 0.000 1.253 140 E CA 0.465 56.874 56.400 0.014 0.000 0.705 140 E CB -1.812 27.886 29.700 -0.003 0.000 1.172 140 E HN 0.130 nan 8.360 nan 0.000 0.369 141 V N -3.553 116.404 119.914 0.071 0.000 2.960 141 V HA 0.664 4.784 4.120 -0.001 0.000 0.315 141 V C 0.426 176.604 176.094 0.139 0.000 1.087 141 V CA -1.139 61.211 62.300 0.083 0.000 0.982 141 V CB 2.254 34.109 31.823 0.052 0.000 1.039 141 V HN -0.020 nan 8.190 nan 0.000 0.437 142 V N 3.799 123.804 119.914 0.152 0.000 2.408 142 V HA 0.356 4.476 4.120 -0.001 0.000 0.267 142 V C -0.033 176.202 176.094 0.235 0.000 1.047 142 V CA -0.017 62.407 62.300 0.207 0.000 0.937 142 V CB 0.923 32.854 31.823 0.180 0.000 0.999 142 V HN 0.778 nan 8.190 nan 0.000 0.472 143 L N 7.172 128.593 121.223 0.331 0.000 2.272 143 L HA 0.629 4.968 4.340 -0.001 0.000 0.289 143 L C -0.466 176.714 176.870 0.517 0.000 1.032 143 L CA 0.101 55.183 54.840 0.403 0.000 0.810 143 L CB 1.526 43.814 42.059 0.383 0.000 1.205 143 L HN 0.425 nan 8.230 nan 0.000 0.422 144 V N 3.428 123.614 119.914 0.454 0.000 2.555 144 V HA 0.623 4.743 4.120 -0.001 0.000 0.302 144 V C -0.284 176.104 176.094 0.490 0.000 1.038 144 V CA -0.517 62.023 62.300 0.400 0.000 0.887 144 V CB 1.942 33.910 31.823 0.240 0.000 0.991 144 V HN 0.854 nan 8.190 nan 0.000 0.434 145 S N 4.890 120.892 115.700 0.503 0.000 2.519 145 S HA 0.827 5.297 4.470 -0.001 0.000 0.309 145 S C -0.710 174.083 174.600 0.321 0.000 1.100 145 S CA -0.786 57.718 58.200 0.506 0.000 1.059 145 S CB 1.547 65.159 63.200 0.688 0.000 1.008 145 S HN 0.641 nan 8.310 nan 0.000 0.478 146 L N 0.960 122.299 121.223 0.193 0.000 2.635 146 L HA 0.988 5.327 4.340 -0.001 0.000 0.250 146 L C 0.222 177.229 176.870 0.229 0.000 1.117 146 L CA -0.674 54.231 54.840 0.109 0.000 0.834 146 L CB -0.064 41.917 42.059 -0.131 0.000 1.544 146 L HN 0.888 nan 8.230 nan 0.000 0.511 147 S N -1.959 113.930 115.700 0.315 0.000 2.685 147 S HA 0.903 5.372 4.470 -0.001 0.000 0.282 147 S C -1.300 173.551 174.600 0.418 0.000 1.159 147 S CA -0.456 57.968 58.200 0.374 0.000 0.833 147 S CB 1.567 65.043 63.200 0.460 0.000 1.151 147 S HN 1.259 nan 8.310 nan 0.000 0.485 148 Y N -2.035 118.383 120.300 0.197 0.000 2.662 148 Y HA 0.665 5.215 4.550 -0.001 0.000 0.334 148 Y C -0.920 175.115 175.900 0.225 0.000 1.185 148 Y CA -1.383 56.824 58.100 0.178 0.000 1.074 148 Y CB 0.555 39.067 38.460 0.087 0.000 1.330 148 Y HN 0.786 nan 8.280 nan 0.000 0.458 149 R N 1.769 122.413 120.500 0.239 0.000 2.537 149 R HA 0.554 4.894 4.340 -0.001 0.000 0.280 149 R C -0.191 176.294 176.300 0.308 0.000 1.058 149 R CA -0.150 56.049 56.100 0.165 0.000 1.057 149 R CB 0.940 31.304 30.300 0.106 0.000 0.973 149 R HN 0.687 nan 8.270 nan 0.000 0.438 150 V N -0.215 119.897 119.914 0.330 0.000 3.181 150 V HA 0.888 5.008 4.120 -0.001 0.000 0.314 150 V C 0.743 177.195 176.094 0.596 0.000 1.173 150 V CA -0.161 62.470 62.300 0.553 0.000 1.052 150 V CB 1.122 33.151 31.823 0.343 0.000 1.123 150 V HN 0.969 nan 8.190 nan 0.000 0.454 151 G N 0.373 109.567 108.800 0.657 0.000 2.575 151 G HA2 0.017 3.977 3.960 -0.001 0.000 0.267 151 G HA3 0.017 3.977 3.960 -0.001 0.000 0.267 151 G C 1.013 176.147 174.900 0.390 0.000 1.264 151 G CA 1.039 46.478 45.100 0.566 0.000 0.935 151 G HN 2.201 nan 8.290 nan 0.000 0.568 152 A N -1.214 121.533 122.820 -0.122 0.000 1.940 152 A HA 0.212 4.531 4.320 -0.001 0.000 0.219 152 A C 2.254 179.717 177.584 -0.203 0.000 1.176 152 A CA 2.543 54.113 52.037 -0.777 0.000 0.631 152 A CB -0.543 17.794 19.000 -1.105 0.000 0.814 152 A HN 0.990 nan 8.150 nan 0.000 0.446 153 F N 0.060 120.067 119.950 0.094 0.000 2.202 153 F HA -0.045 4.481 4.527 -0.001 0.000 0.301 153 F C 2.426 178.240 175.800 0.023 0.000 1.082 153 F CA 1.076 59.108 58.000 0.053 0.000 1.313 153 F CB -0.546 38.434 39.000 -0.034 0.000 1.024 153 F HN 0.297 nan 8.300 nan 0.000 0.495 154 G N -2.263 106.644 108.800 0.177 0.000 2.833 154 G HA2 0.074 4.034 3.960 -0.001 0.000 0.210 154 G HA3 0.074 4.034 3.960 -0.001 0.000 0.210 154 G C 0.769 175.194 174.900 -0.792 0.000 1.139 154 G CA 0.106 45.037 45.100 -0.281 0.000 0.771 154 G HN 0.343 nan 8.290 nan 0.000 0.535 155 F N -0.534 119.519 119.950 0.172 0.000 2.899 155 F HA 0.423 4.949 4.527 -0.001 0.000 0.337 155 F C 0.373 176.245 175.800 0.121 0.000 1.129 155 F CA -1.026 57.057 58.000 0.138 0.000 1.128 155 F CB 0.388 39.494 39.000 0.176 0.000 1.154 155 F HN -0.086 nan 8.300 nan 0.000 0.531 156 L N 2.271 123.510 121.223 0.027 0.000 2.559 156 L HA 0.432 4.772 4.340 -0.001 0.000 0.274 156 L C 0.117 176.962 176.870 -0.041 0.000 1.205 156 L CA 0.279 55.024 54.840 -0.158 0.000 0.907 156 L CB 0.319 41.971 42.059 -0.680 0.000 1.153 156 L HN 0.151 nan 8.230 nan 0.000 0.490 157 A N 6.891 129.738 122.820 0.045 0.000 2.357 157 A HA 0.642 4.961 4.320 -0.001 0.000 0.295 157 A C -0.891 176.708 177.584 0.025 0.000 1.121 157 A CA -0.500 51.565 52.037 0.046 0.000 0.742 157 A CB 0.744 19.806 19.000 0.103 0.000 1.181 157 A HN 0.708 nan 8.150 nan 0.000 0.454 158 L N 3.559 124.784 121.223 0.003 0.000 2.445 158 L HA 0.244 4.584 4.340 -0.001 0.000 0.252 158 L C -0.014 176.880 176.870 0.040 0.000 1.105 158 L CA -0.752 54.091 54.840 0.005 0.000 0.943 158 L CB 0.443 42.474 42.059 -0.047 0.000 1.277 158 L HN 0.900 nan 8.230 nan 0.000 0.465 159 H N 1.922 120.993 119.070 0.001 0.000 3.094 159 H HA 0.251 4.806 4.556 -0.001 0.000 0.320 159 H C 1.157 176.491 175.328 0.010 0.000 1.000 159 H CA 1.529 57.585 56.048 0.013 0.000 1.413 159 H CB 0.757 30.530 29.762 0.019 0.000 1.405 159 H HN 0.703 nan 8.280 nan 0.000 0.586 160 G N 2.771 111.223 108.800 -0.579 0.000 2.238 160 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.217 160 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.217 160 G C 0.344 175.139 174.900 -0.175 0.000 0.996 160 G CA 0.188 45.061 45.100 -0.379 0.000 0.632 160 G HN 0.917 nan 8.290 nan 0.000 0.503 161 S N -0.003 115.628 115.700 -0.117 0.000 2.541 161 S HA 0.616 5.086 4.470 -0.001 0.000 0.283 161 S C 1.028 175.605 174.600 -0.038 0.000 1.196 161 S CA -0.055 58.111 58.200 -0.056 0.000 1.062 161 S CB 1.572 64.751 63.200 -0.035 0.000 1.009 161 S HN 0.155 nan 8.310 nan 0.000 0.502 162 Q N 1.871 121.661 119.800 -0.016 0.000 2.356 162 Q HA 0.183 4.522 4.340 -0.001 0.000 0.205 162 Q C 1.022 177.037 176.000 0.025 0.000 0.901 162 Q CA 0.381 56.185 55.803 0.003 0.000 0.938 162 Q CB 0.191 28.932 28.738 0.004 0.000 1.081 162 Q HN 0.718 nan 8.270 nan 0.000 0.517 163 E N 0.267 120.486 120.200 0.030 0.000 2.230 163 E HA 0.086 4.435 4.350 -0.001 0.000 0.192 163 E C 0.123 176.777 176.600 0.091 0.000 0.987 163 E CA 0.460 56.897 56.400 0.061 0.000 0.841 163 E CB 0.559 30.299 29.700 0.067 0.000 0.783 163 E HN 0.114 nan 8.360 nan 0.000 0.481 164 A N 1.707 124.554 122.820 0.045 0.000 3.307 164 A HA 0.281 4.601 4.320 -0.001 0.000 0.289 164 A C -2.150 175.437 177.584 0.006 0.000 1.138 164 A CA -0.855 51.196 52.037 0.025 0.000 0.860 164 A CB 0.710 19.636 19.000 -0.123 0.000 1.318 164 A HN -0.128 nan 8.150 nan 0.000 0.551 165 P HA 0.183 nan 4.420 nan 0.000 0.236 165 P C 0.866 178.218 177.300 0.086 0.000 1.177 165 P CA 1.631 64.763 63.100 0.054 0.000 0.773 165 P CB 0.266 32.000 31.700 0.057 0.000 0.878 166 G N 0.791 109.624 108.800 0.054 0.000 2.699 166 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 166 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 166 G C -0.114 174.801 174.900 0.024 0.000 1.301 166 G CA -0.300 44.841 45.100 0.067 0.000 0.816 166 G HN 0.104 nan 8.290 nan 0.000 0.595 167 N N -2.432 116.281 118.700 0.021 0.000 2.778 167 N HA -0.284 4.456 4.740 -0.001 0.000 0.249 167 N C 1.917 177.282 175.510 -0.242 0.000 1.069 167 N CA 2.544 55.537 53.050 -0.095 0.000 0.831 167 N CB -1.636 36.744 38.487 -0.178 0.000 1.142 167 N HN 1.923 nan 8.380 nan 0.000 0.573 168 V N -2.874 116.885 119.914 -0.257 0.000 2.626 168 V HA 0.028 4.148 4.120 -0.001 0.000 0.252 168 V C 2.288 178.255 176.094 -0.210 0.000 1.067 168 V CA 2.235 64.434 62.300 -0.167 0.000 1.081 168 V CB -0.856 30.922 31.823 -0.074 0.000 0.686 168 V HN 0.276 nan 8.190 nan 0.000 0.468 169 G N 0.537 109.009 108.800 -0.548 0.000 2.418 169 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.217 169 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.217 169 G C 1.542 176.435 174.900 -0.010 0.000 1.158 169 G CA 1.149 46.073 45.100 -0.293 0.000 0.771 169 G HN 0.530 nan 8.290 nan 0.000 0.545 170 L N -0.073 121.103 121.223 -0.079 0.000 2.093 170 L HA 0.052 4.391 4.340 -0.001 0.000 0.208 170 L C 2.840 179.768 176.870 0.098 0.000 1.085 170 L CA 0.443 55.229 54.840 -0.090 0.000 0.755 170 L CB -0.278 41.404 42.059 -0.629 0.000 0.904 170 L HN 0.176 nan 8.230 nan 0.000 0.435 171 L N -0.624 120.642 121.223 0.070 0.000 2.141 171 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 171 L C 2.138 179.106 176.870 0.163 0.000 1.094 171 L CA 0.837 55.783 54.840 0.177 0.000 0.763 171 L CB -0.629 41.507 42.059 0.127 0.000 0.908 171 L HN 0.294 nan 8.230 nan 0.000 0.437 172 D N -0.051 120.444 120.400 0.157 0.000 2.117 172 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 172 D C 2.281 178.690 176.300 0.182 0.000 0.987 172 D CA 1.157 55.320 54.000 0.272 0.000 0.829 172 D CB -0.133 40.860 40.800 0.323 0.000 0.961 172 D HN 0.411 nan 8.370 nan 0.000 0.460 173 Q N 0.098 119.954 119.800 0.094 0.000 2.079 173 Q HA -0.098 4.242 4.340 -0.001 0.000 0.200 173 Q C 2.283 178.200 176.000 -0.138 0.000 0.974 173 Q CA 0.867 56.631 55.803 -0.064 0.000 0.840 173 Q CB -0.028 28.685 28.738 -0.043 0.000 0.898 173 Q HN 0.194 nan 8.270 nan 0.000 0.430 174 R N 0.702 121.210 120.500 0.014 0.000 2.081 174 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 174 R C 2.207 178.495 176.300 -0.021 0.000 1.131 174 R CA 1.495 57.581 56.100 -0.024 0.000 0.960 174 R CB -0.173 30.221 30.300 0.157 0.000 0.856 174 R HN 0.261 nan 8.270 nan 0.000 0.436 175 M N 0.172 119.796 119.600 0.041 0.000 2.117 175 M HA -0.134 4.346 4.480 -0.001 0.000 0.262 175 M C 2.131 178.414 176.300 -0.029 0.000 1.065 175 M CA 2.134 57.493 55.300 0.098 0.000 1.114 175 M CB -0.074 32.683 32.600 0.262 0.000 1.361 175 M HN 0.310 nan 8.290 nan 0.000 0.408 176 A N 0.171 122.724 122.820 -0.445 0.000 1.930 176 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 176 A C 2.015 179.478 177.584 -0.201 0.000 1.175 176 A CA 1.408 52.985 52.037 -0.767 0.000 0.627 176 A CB -0.998 17.188 19.000 -1.358 0.000 0.815 176 A HN 0.587 nan 8.150 nan 0.000 0.443 177 L N -1.081 120.047 121.223 -0.159 0.000 2.093 177 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 177 L C 2.824 179.735 176.870 0.067 0.000 1.085 177 L CA 1.646 56.459 54.840 -0.043 0.000 0.755 177 L CB -0.444 41.549 42.059 -0.110 0.000 0.904 177 L HN 0.492 nan 8.230 nan 0.000 0.435 178 Q N -0.346 119.491 119.800 0.062 0.000 2.084 178 Q HA -0.252 4.087 4.340 -0.001 0.000 0.202 178 Q C 2.008 178.117 176.000 0.182 0.000 0.978 178 Q CA 1.877 57.742 55.803 0.103 0.000 0.844 178 Q CB -0.422 28.369 28.738 0.088 0.000 0.898 178 Q HN 0.467 nan 8.270 nan 0.000 0.426 179 W N -0.743 120.580 121.300 0.038 0.000 2.355 179 W HA -0.164 4.496 4.660 -0.001 0.000 0.309 179 W C 1.869 178.436 176.519 0.081 0.000 1.206 179 W CA 1.675 59.065 57.345 0.076 0.000 1.284 179 W CB -0.227 29.281 29.460 0.080 0.000 1.145 179 W HN 0.004 nan 8.180 nan 0.000 0.502 180 V N -0.021 120.115 119.914 0.370 0.000 2.287 180 V HA -0.386 3.734 4.120 -0.001 0.000 0.248 180 V C 2.517 178.662 176.094 0.085 0.000 1.053 180 V CA 2.363 64.804 62.300 0.236 0.000 1.027 180 V CB -1.293 30.648 31.823 0.197 0.000 0.646 180 V HN 0.345 nan 8.190 nan 0.000 0.447 181 H N 0.206 119.284 119.070 0.013 0.000 2.319 181 H HA -0.180 4.376 4.556 -0.001 0.000 0.299 181 H C 2.029 177.301 175.328 -0.093 0.000 1.092 181 H CA 2.091 58.122 56.048 -0.027 0.000 1.302 181 H CB 0.030 29.788 29.762 -0.007 0.000 1.373 181 H HN 0.427 nan 8.280 nan 0.000 0.497 182 D N -0.273 120.107 120.400 -0.033 0.000 2.224 182 D HA -0.066 4.573 4.640 -0.001 0.000 0.205 182 D C 1.318 177.473 176.300 -0.242 0.000 0.965 182 D CA 0.702 54.621 54.000 -0.135 0.000 0.852 182 D CB 0.002 40.736 40.800 -0.111 0.000 0.947 182 D HN 0.458 nan 8.370 nan 0.000 0.494 183 N N -0.369 118.114 118.700 -0.361 0.000 2.239 183 N HA 0.031 4.770 4.740 -0.001 0.000 0.208 183 N C 1.520 176.969 175.510 -0.102 0.000 1.200 183 N CA -0.187 52.685 53.050 -0.297 0.000 0.895 183 N CB 0.937 38.864 38.487 -0.933 0.000 1.085 183 N HN 0.015 nan 8.380 nan 0.000 0.500 184 I N 3.286 123.804 120.570 -0.086 0.000 2.423 184 I HA -0.277 3.892 4.170 -0.001 0.000 0.254 184 I C 2.577 178.695 176.117 0.001 0.000 1.151 184 I CA 1.417 62.773 61.300 0.094 0.000 1.421 184 I CB -0.208 37.821 38.000 0.047 0.000 1.079 184 I HN 0.209 nan 8.210 nan 0.000 0.431 185 Q N -0.734 118.877 119.800 -0.315 0.000 2.181 185 Q HA -0.256 4.084 4.340 -0.001 0.000 0.205 185 Q C 1.949 177.678 176.000 -0.452 0.000 0.980 185 Q CA 1.797 57.342 55.803 -0.430 0.000 0.862 185 Q CB -0.927 27.422 28.738 -0.648 0.000 0.905 185 Q HN 0.424 nan 8.270 nan 0.000 0.429 186 F N -0.091 119.809 119.950 -0.083 0.000 2.451 186 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 186 F C 1.066 176.644 175.800 -0.371 0.000 1.101 186 F CA 0.382 58.230 58.000 -0.253 0.000 1.436 186 F CB -0.185 38.584 39.000 -0.386 0.000 1.074 186 F HN 0.006 nan 8.300 nan 0.000 0.553 187 F N -0.641 119.305 119.950 -0.005 0.000 2.727 187 F HA 0.410 4.937 4.527 -0.001 0.000 0.302 187 F C 1.821 177.631 175.800 0.017 0.000 1.097 187 F CA 0.394 58.379 58.000 -0.025 0.000 1.330 187 F CB -0.048 38.918 39.000 -0.057 0.000 1.084 187 F HN 0.042 nan 8.300 nan 0.000 0.578 188 G N 0.055 108.921 108.800 0.110 0.000 2.176 188 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.232 188 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.232 188 G C 0.623 175.563 174.900 0.066 0.000 0.986 188 G CA -0.309 44.838 45.100 0.079 0.000 0.643 188 G HN 0.708 nan 8.290 nan 0.000 0.522 189 G N -0.313 108.531 108.800 0.073 0.000 2.448 189 G HA2 0.485 4.444 3.960 -0.001 0.000 0.285 189 G HA3 0.485 4.444 3.960 -0.001 0.000 0.285 189 G C -0.698 174.188 174.900 -0.024 0.000 1.176 189 G CA 0.347 45.474 45.100 0.046 0.000 0.852 189 G HN 0.267 nan 8.290 nan 0.000 0.530 190 D N 1.714 122.101 120.400 -0.021 0.000 2.396 190 D HA 0.256 4.895 4.640 -0.001 0.000 0.225 190 D C -1.038 175.227 176.300 -0.059 0.000 1.121 190 D CA -2.430 51.538 54.000 -0.053 0.000 0.853 190 D CB 1.764 42.543 40.800 -0.035 0.000 1.043 190 D HN 0.069 nan 8.370 nan 0.000 0.500 191 P HA -0.121 nan 4.420 nan 0.000 0.228 191 P C 0.880 178.135 177.300 -0.074 0.000 1.151 191 P CA 0.885 63.904 63.100 -0.136 0.000 0.770 191 P CB 0.043 31.546 31.700 -0.328 0.000 0.786 192 K N -0.383 119.978 120.400 -0.065 0.000 2.459 192 K HA 0.105 4.425 4.320 -0.001 0.000 0.193 192 K C 1.176 177.770 176.600 -0.010 0.000 1.030 192 K CA 1.004 57.274 56.287 -0.029 0.000 1.026 192 K CB -0.987 31.488 32.500 -0.042 0.000 0.809 192 K HN 0.200 nan 8.250 nan 0.000 0.504 193 T N 0.758 115.308 114.554 -0.006 0.000 3.630 193 T HA 0.335 4.685 4.350 -0.001 0.000 0.238 193 T C -0.944 173.774 174.700 0.030 0.000 1.195 193 T CA -0.260 61.838 62.100 -0.003 0.000 1.433 193 T CB 0.307 69.160 68.868 -0.025 0.000 0.940 193 T HN 0.165 nan 8.240 nan 0.000 0.641 194 V N 2.107 122.070 119.914 0.081 0.000 2.383 194 V HA 0.585 4.704 4.120 -0.001 0.000 0.275 194 V C -0.339 175.861 176.094 0.177 0.000 1.036 194 V CA 0.128 62.508 62.300 0.132 0.000 0.889 194 V CB 1.260 33.189 31.823 0.176 0.000 0.985 194 V HN 0.536 nan 8.190 nan 0.000 0.459 195 T N 8.796 123.438 114.554 0.147 0.000 2.758 195 T HA 0.514 4.864 4.350 -0.001 0.000 0.285 195 T C -0.081 174.743 174.700 0.207 0.000 0.981 195 T CA -0.142 62.059 62.100 0.169 0.000 0.965 195 T CB 0.681 69.605 68.868 0.094 0.000 0.927 195 T HN 0.757 nan 8.240 nan 0.000 0.448 196 I N 1.880 122.537 120.570 0.146 0.000 2.396 196 I HA 0.833 5.003 4.170 -0.001 0.000 0.292 196 I C -0.751 175.521 176.117 0.258 0.000 0.999 196 I CA -0.928 60.432 61.300 0.099 0.000 1.310 196 I CB 0.753 38.583 38.000 -0.284 0.000 1.404 196 I HN 0.478 nan 8.210 nan 0.000 0.496 197 F N 3.199 123.184 119.950 0.058 0.000 2.601 197 F HA 0.999 5.526 4.527 -0.001 0.000 0.309 197 F C -0.462 175.343 175.800 0.008 0.000 1.089 197 F CA -1.260 56.820 58.000 0.133 0.000 0.940 197 F CB 1.419 40.614 39.000 0.325 0.000 1.273 197 F HN 0.825 nan 8.300 nan 0.000 0.450 198 G N 1.402 110.112 108.800 -0.149 0.000 2.673 198 G HA2 0.479 4.439 3.960 -0.001 0.000 0.292 198 G HA3 0.479 4.439 3.960 -0.001 0.000 0.292 198 G C -2.550 172.147 174.900 -0.338 0.000 1.450 198 G CA -0.806 43.838 45.100 -0.760 0.000 0.837 198 G HN 0.854 nan 8.290 nan 0.000 0.505 199 E N 0.592 120.532 120.200 -0.432 0.000 2.199 199 E HA 0.615 4.965 4.350 -0.001 0.000 0.269 199 E C 0.773 177.310 176.600 -0.104 0.000 0.899 199 E CA 0.352 56.726 56.400 -0.044 0.000 0.772 199 E CB 2.018 31.865 29.700 0.245 0.000 1.155 199 E HN 0.893 nan 8.360 nan 0.000 0.408 200 S N 3.359 119.059 115.700 0.001 0.000 4.150 200 S HA -0.407 4.063 4.470 -0.001 0.000 0.575 200 S C 1.508 176.199 174.600 0.152 0.000 1.878 200 S CA 2.386 60.670 58.200 0.141 0.000 4.245 200 S CB -1.629 61.570 63.200 -0.002 0.000 0.231 200 S HN 0.963 nan 8.310 nan 0.000 0.469 201 A N 1.175 123.992 122.820 -0.005 0.000 2.019 201 A HA 0.192 4.512 4.320 -0.001 0.000 0.219 201 A C 2.475 179.794 177.584 -0.442 0.000 1.164 201 A CA 2.335 54.157 52.037 -0.358 0.000 0.644 201 A CB -1.512 16.916 19.000 -0.953 0.000 0.805 201 A HN 1.573 nan 8.150 nan 0.000 0.449 202 G N -0.737 107.859 108.800 -0.341 0.000 2.403 202 G HA2 0.112 4.072 3.960 -0.001 0.000 0.216 202 G HA3 0.112 4.072 3.960 -0.001 0.000 0.216 202 G C 1.442 176.149 174.900 -0.322 0.000 1.154 202 G CA 1.097 45.946 45.100 -0.419 0.000 0.784 202 G HN 0.641 nan 8.290 nan 0.000 0.538 203 G N 0.988 109.661 108.800 -0.211 0.000 2.403 203 G HA2 0.130 4.090 3.960 -0.001 0.000 0.216 203 G HA3 0.130 4.090 3.960 -0.001 0.000 0.216 203 G C 2.016 176.808 174.900 -0.181 0.000 1.154 203 G CA 1.369 46.382 45.100 -0.146 0.000 0.784 203 G HN 0.565 nan 8.290 nan 0.000 0.538 204 A N 0.970 123.700 122.820 -0.149 0.000 1.902 204 A HA 0.005 4.324 4.320 -0.001 0.000 0.217 204 A C 2.695 180.202 177.584 -0.128 0.000 1.181 204 A CA 2.251 54.177 52.037 -0.185 0.000 0.623 204 A CB -0.675 18.230 19.000 -0.160 0.000 0.818 204 A HN 0.295 nan 8.150 nan 0.000 0.443 205 S N -0.406 115.241 115.700 -0.088 0.000 2.359 205 S HA -0.157 4.313 4.470 -0.001 0.000 0.224 205 S C 1.911 176.421 174.600 -0.149 0.000 1.035 205 S CA 1.457 59.590 58.200 -0.110 0.000 1.018 205 S CB -0.585 62.500 63.200 -0.191 0.000 0.876 205 S HN 0.344 nan 8.310 nan 0.000 0.448 206 V N 1.606 121.436 119.914 -0.140 0.000 2.282 206 V HA -0.217 3.902 4.120 -0.001 0.000 0.249 206 V C 2.584 178.604 176.094 -0.123 0.000 1.057 206 V CA 2.097 64.320 62.300 -0.128 0.000 1.032 206 V CB -1.431 30.299 31.823 -0.155 0.000 0.645 206 V HN 0.617 nan 8.190 nan 0.000 0.447 207 G N -1.456 107.217 108.800 -0.211 0.000 2.443 207 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 207 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 207 G C 1.585 176.453 174.900 -0.053 0.000 1.131 207 G CA 0.775 45.718 45.100 -0.262 0.000 0.775 207 G HN 0.448 nan 8.290 nan 0.000 0.547 208 M N -0.232 119.350 119.600 -0.030 0.000 2.254 208 M HA 0.025 4.504 4.480 -0.001 0.000 0.265 208 M C 2.238 178.619 176.300 0.136 0.000 1.066 208 M CA 0.861 56.270 55.300 0.182 0.000 1.123 208 M CB -0.165 32.550 32.600 0.192 0.000 1.388 208 M HN 0.180 nan 8.290 nan 0.000 0.425 209 H N -0.401 118.782 119.070 0.187 0.000 2.470 209 H HA 0.072 4.628 4.556 -0.001 0.000 0.289 209 H C 2.073 177.601 175.328 0.334 0.000 1.033 209 H CA 1.159 57.314 56.048 0.179 0.000 1.331 209 H CB -0.127 29.630 29.762 -0.007 0.000 1.414 209 H HN 0.399 nan 8.280 nan 0.000 0.545 210 I N 0.381 121.203 120.570 0.420 0.000 2.315 210 I HA -0.230 3.939 4.170 -0.001 0.000 0.248 210 I C 2.127 178.479 176.117 0.392 0.000 1.117 210 I CA 0.825 62.435 61.300 0.517 0.000 1.404 210 I CB -0.012 38.227 38.000 0.399 0.000 1.071 210 I HN 0.107 nan 8.210 nan 0.000 0.419 211 L N -0.671 120.742 121.223 0.317 0.000 2.068 211 L HA -0.045 4.295 4.340 -0.001 0.000 0.204 211 L C 1.532 178.504 176.870 0.169 0.000 1.076 211 L CA 0.344 55.369 54.840 0.307 0.000 0.753 211 L CB -0.308 41.962 42.059 0.352 0.000 0.910 211 L HN 0.048 nan 8.230 nan 0.000 0.439 212 S N 0.163 115.874 115.700 0.018 0.000 2.481 212 S HA 0.075 4.545 4.470 -0.001 0.000 0.282 212 S C -1.478 172.999 174.600 -0.204 0.000 1.243 212 S CA -1.301 56.714 58.200 -0.309 0.000 1.078 212 S CB 0.778 63.350 63.200 -1.048 0.000 0.916 212 S HN -0.075 nan 8.310 nan 0.000 0.495 213 P HA -0.094 nan 4.420 nan 0.000 0.216 213 P C 1.369 178.584 177.300 -0.142 0.000 1.154 213 P CA 1.263 64.294 63.100 -0.114 0.000 0.865 213 P CB -0.083 31.556 31.700 -0.102 0.000 0.789 214 G N -1.880 106.784 108.800 -0.226 0.000 2.776 214 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.209 214 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.209 214 G C 1.306 176.122 174.900 -0.141 0.000 1.145 214 G CA 0.497 45.483 45.100 -0.191 0.000 0.791 214 G HN 0.233 nan 8.290 nan 0.000 0.530 215 S N -0.710 114.930 115.700 -0.099 0.000 2.575 215 S HA 0.126 4.595 4.470 -0.001 0.000 0.230 215 S C 2.170 176.856 174.600 0.143 0.000 1.062 215 S CA -0.474 57.771 58.200 0.074 0.000 0.913 215 S CB 0.258 63.641 63.200 0.306 0.000 0.837 215 S HN 0.332 nan 8.310 nan 0.000 0.487 216 R N 1.919 122.449 120.500 0.050 0.000 2.140 216 R HA -0.152 4.187 4.340 -0.001 0.000 0.250 216 R C 0.865 176.947 176.300 -0.363 0.000 1.150 216 R CA 1.847 57.871 56.100 -0.126 0.000 0.966 216 R CB -0.477 29.767 30.300 -0.092 0.000 0.869 216 R HN 0.304 nan 8.270 nan 0.000 0.445 217 D N 0.298 120.567 120.400 -0.218 0.000 2.347 217 D HA -0.031 4.609 4.640 -0.001 0.000 0.215 217 D C 1.439 177.581 176.300 -0.263 0.000 0.976 217 D CA 0.693 54.550 54.000 -0.238 0.000 0.884 217 D CB 0.042 40.732 40.800 -0.184 0.000 0.915 217 D HN 0.244 nan 8.370 nan 0.000 0.526 218 L N -0.148 120.969 121.223 -0.175 0.000 2.599 218 L HA 0.134 4.473 4.340 -0.001 0.000 0.230 218 L C 0.002 176.974 176.870 0.170 0.000 1.141 218 L CA 0.027 54.819 54.840 -0.081 0.000 0.877 218 L CB -0.458 41.617 42.059 0.027 0.000 1.009 218 L HN -0.030 nan 8.230 nan 0.000 0.447 219 F N -4.221 115.731 119.950 0.004 0.000 2.741 219 F HA 0.542 5.069 4.527 -0.001 0.000 0.313 219 F C 0.414 176.243 175.800 0.049 0.000 1.153 219 F CA -1.345 56.682 58.000 0.046 0.000 0.931 219 F CB 1.124 40.146 39.000 0.038 0.000 1.335 219 F HN -0.404 nan 8.300 nan 0.000 0.460 220 R N 0.870 121.457 120.500 0.144 0.000 2.123 220 R HA 0.477 4.817 4.340 -0.001 0.000 0.209 220 R C 0.064 176.422 176.300 0.097 0.000 1.078 220 R CA 0.850 56.966 56.100 0.026 0.000 1.028 220 R CB 0.285 30.604 30.300 0.031 0.000 0.939 220 R HN 0.819 nan 8.270 nan 0.000 0.463 221 R N -1.314 119.363 120.500 0.294 0.000 2.781 221 R HA 0.719 5.059 4.340 -0.001 0.000 0.269 221 R C -1.940 174.611 176.300 0.419 0.000 1.025 221 R CA -0.516 55.742 56.100 0.264 0.000 0.914 221 R CB 2.035 32.322 30.300 -0.020 0.000 1.236 221 R HN 0.156 nan 8.270 nan 0.000 0.465 222 A N 2.232 125.298 122.820 0.409 0.000 2.549 222 A HA 0.675 4.994 4.320 -0.001 0.000 0.297 222 A C -1.432 176.259 177.584 0.179 0.000 1.061 222 A CA -0.642 51.554 52.037 0.264 0.000 0.690 222 A CB 1.289 20.395 19.000 0.177 0.000 1.287 222 A HN 0.543 nan 8.150 nan 0.000 0.402 223 I N 1.598 122.228 120.570 0.100 0.000 2.498 223 I HA 0.421 4.591 4.170 -0.001 0.000 0.290 223 I C -1.457 174.690 176.117 0.051 0.000 1.032 223 I CA -0.655 60.624 61.300 -0.034 0.000 1.073 223 I CB 1.952 39.909 38.000 -0.072 0.000 1.251 223 I HN 0.440 nan 8.210 nan 0.000 0.426 224 L N 6.511 127.735 121.223 0.002 0.000 2.343 224 L HA 0.431 4.770 4.340 -0.001 0.000 0.278 224 L C -0.535 176.410 176.870 0.125 0.000 0.996 224 L CA -0.251 54.597 54.840 0.015 0.000 0.831 224 L CB 1.578 43.572 42.059 -0.109 0.000 1.232 224 L HN 0.488 nan 8.230 nan 0.000 0.413 225 Q N 1.914 121.847 119.800 0.221 0.000 2.372 225 Q HA 0.479 4.818 4.340 -0.001 0.000 0.259 225 Q C 0.070 176.205 176.000 0.225 0.000 0.993 225 Q CA -0.495 55.521 55.803 0.355 0.000 0.854 225 Q CB 1.369 30.423 28.738 0.528 0.000 1.231 225 Q HN 0.648 nan 8.270 nan 0.000 0.462 226 S N 1.032 116.855 115.700 0.205 0.000 3.682 226 S HA -0.165 4.305 4.470 -0.001 0.000 0.354 226 S C 0.017 174.775 174.600 0.263 0.000 1.034 226 S CA 0.565 58.909 58.200 0.240 0.000 1.084 226 S CB -1.160 62.205 63.200 0.275 0.000 0.903 226 S HN 0.959 nan 8.310 nan 0.000 0.470 227 G N -0.267 108.614 108.800 0.135 0.000 2.702 227 G HA2 0.645 4.605 3.960 -0.001 0.000 0.296 227 G HA3 0.645 4.605 3.960 -0.001 0.000 0.296 227 G C -0.977 173.857 174.900 -0.110 0.000 1.463 227 G CA 0.161 45.326 45.100 0.109 0.000 0.890 227 G HN 1.140 nan 8.290 nan 0.000 0.534 228 S N 1.032 116.593 115.700 -0.231 0.000 2.550 228 S HA 0.773 5.242 4.470 -0.001 0.000 0.270 228 S C -2.186 172.129 174.600 -0.475 0.000 1.145 228 S CA -1.042 56.880 58.200 -0.463 0.000 0.852 228 S CB 2.960 65.898 63.200 -0.437 0.000 1.119 228 S HN 0.423 nan 8.310 nan 0.000 0.465 229 P HA -0.116 nan 4.420 nan 0.000 0.220 229 P C 0.596 177.666 177.300 -0.383 0.000 1.148 229 P CA 1.312 64.176 63.100 -0.394 0.000 0.803 229 P CB -0.325 31.197 31.700 -0.297 0.000 0.782 230 N N -0.786 117.729 118.700 -0.308 0.000 2.370 230 N HA -0.020 4.720 4.740 -0.001 0.000 0.198 230 N C 0.042 175.338 175.510 -0.356 0.000 1.156 230 N CA -0.181 52.719 53.050 -0.250 0.000 0.839 230 N CB -1.444 37.015 38.487 -0.047 0.000 0.989 230 N HN 0.041 nan 8.380 nan 0.000 0.468 231 C N 2.909 121.885 119.300 -0.540 0.000 2.634 231 C HA 0.072 4.532 4.460 -0.001 0.000 0.417 231 C C -0.081 174.467 174.990 -0.736 0.000 1.334 231 C CA -0.908 57.666 59.018 -0.741 0.000 1.829 231 C CB 1.036 27.998 27.740 -1.296 0.000 2.665 231 C HN 0.367 nan 8.230 nan 0.000 0.614 232 P HA -0.109 nan 4.420 nan 0.000 0.222 232 P C 1.207 178.339 177.300 -0.280 0.000 1.147 232 P CA 1.791 64.647 63.100 -0.406 0.000 0.790 232 P CB -0.070 31.387 31.700 -0.406 0.000 0.780 233 W N -1.071 120.112 121.300 -0.196 0.000 3.077 233 W HA 0.520 5.180 4.660 -0.000 0.000 0.266 233 W C 1.236 177.785 176.519 0.050 0.000 1.300 233 W CA 0.378 57.683 57.345 -0.068 0.000 1.586 233 W CB -1.178 28.317 29.460 0.058 0.000 1.103 233 W HN -0.111 nan 8.180 nan 0.000 0.652 234 A N 1.389 123.874 122.820 -0.558 0.000 2.208 234 A HA 0.187 4.507 4.320 -0.001 0.000 0.209 234 A C 0.953 178.286 177.584 -0.418 0.000 1.161 234 A CA 1.086 52.858 52.037 -0.442 0.000 0.782 234 A CB -0.582 17.938 19.000 -0.799 0.000 0.816 234 A HN 0.230 nan 8.150 nan 0.000 0.477 235 S N -1.835 113.651 115.700 -0.356 0.000 2.588 235 S HA 0.640 5.110 4.470 -0.001 0.000 0.269 235 S C -0.785 173.668 174.600 -0.245 0.000 1.157 235 S CA -0.101 57.885 58.200 -0.356 0.000 0.824 235 S CB 1.292 64.219 63.200 -0.454 0.000 1.126 235 S HN 1.257 nan 8.310 nan 0.000 0.464 236 V N -0.996 118.798 119.914 -0.200 0.000 3.160 236 V HA 0.950 5.069 4.120 -0.001 0.000 0.310 236 V C 0.225 176.243 176.094 -0.128 0.000 1.181 236 V CA -0.497 61.715 62.300 -0.146 0.000 1.047 236 V CB 1.113 32.866 31.823 -0.117 0.000 1.068 236 V HN 1.473 nan 8.190 nan 0.000 0.441 237 S N 0.415 116.054 115.700 -0.103 0.000 2.624 237 S HA 0.367 4.836 4.470 -0.001 0.000 0.263 237 S C 1.272 175.828 174.600 -0.074 0.000 1.287 237 S CA 0.020 58.166 58.200 -0.090 0.000 0.990 237 S CB 1.251 64.407 63.200 -0.072 0.000 0.950 237 S HN 2.088 nan 8.310 nan 0.000 0.561 238 V N -1.457 118.406 119.914 -0.084 0.000 2.515 238 V HA 0.033 4.153 4.120 -0.001 0.000 0.250 238 V C 2.494 178.579 176.094 -0.015 0.000 1.058 238 V CA 1.588 63.852 62.300 -0.059 0.000 1.064 238 V CB -1.977 29.762 31.823 -0.139 0.000 0.675 238 V HN 0.990 nan 8.190 nan 0.000 0.461 239 A N 0.703 123.508 122.820 -0.025 0.000 1.898 239 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 239 A C 2.214 179.781 177.584 -0.028 0.000 1.181 239 A CA 1.966 53.994 52.037 -0.015 0.000 0.620 239 A CB -0.598 18.392 19.000 -0.017 0.000 0.819 239 A HN 0.643 nan 8.150 nan 0.000 0.442 240 E N 0.110 120.283 120.200 -0.045 0.000 2.072 240 E HA -0.003 4.347 4.350 -0.001 0.000 0.190 240 E C 1.978 178.541 176.600 -0.062 0.000 0.982 240 E CA 1.498 57.858 56.400 -0.067 0.000 0.803 240 E CB -0.850 28.800 29.700 -0.083 0.000 0.755 240 E HN 0.363 nan 8.360 nan 0.000 0.453 241 G N 0.924 109.701 108.800 -0.039 0.000 2.446 241 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.217 241 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.217 241 G C 1.759 176.671 174.900 0.020 0.000 1.168 241 G CA 1.015 46.115 45.100 -0.001 0.000 0.771 241 G HN 0.357 nan 8.290 nan 0.000 0.551 242 R N 0.236 120.745 120.500 0.014 0.000 2.073 242 R HA -0.016 4.324 4.340 -0.001 0.000 0.234 242 R C 2.557 178.855 176.300 -0.002 0.000 1.134 242 R CA 1.466 57.574 56.100 0.014 0.000 0.952 242 R CB -0.419 29.893 30.300 0.021 0.000 0.850 242 R HN 0.290 nan 8.270 nan 0.000 0.433 243 R N 0.511 120.999 120.500 -0.020 0.000 2.091 243 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 243 R C 2.205 178.482 176.300 -0.038 0.000 1.136 243 R CA 1.904 57.983 56.100 -0.035 0.000 0.959 243 R CB -0.109 30.156 30.300 -0.058 0.000 0.856 243 R HN 0.322 nan 8.270 nan 0.000 0.437 244 R N -0.447 120.025 120.500 -0.048 0.000 2.090 244 R HA -0.027 4.313 4.340 -0.001 0.000 0.228 244 R C 2.318 178.667 176.300 0.081 0.000 1.110 244 R CA 1.139 57.205 56.100 -0.057 0.000 0.973 244 R CB -0.235 29.942 30.300 -0.204 0.000 0.869 244 R HN 0.224 nan 8.270 nan 0.000 0.440 245 A N 0.755 123.643 122.820 0.112 0.000 1.898 245 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 245 A C 2.329 179.920 177.584 0.012 0.000 1.181 245 A CA 1.265 53.353 52.037 0.086 0.000 0.620 245 A CB -0.486 18.510 19.000 -0.007 0.000 0.819 245 A HN 0.100 nan 8.150 nan 0.000 0.442 246 V N 0.013 119.927 119.914 -0.000 0.000 2.343 246 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 246 V C 2.590 178.684 176.094 -0.001 0.000 1.051 246 V CA 2.371 64.665 62.300 -0.010 0.000 1.036 246 V CB -0.678 31.139 31.823 -0.012 0.000 0.654 246 V HN 0.692 nan 8.190 nan 0.000 0.451 247 E N 0.234 120.435 120.200 0.003 0.000 2.110 247 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 247 E C 1.915 178.532 176.600 0.028 0.000 0.988 247 E CA 1.183 57.585 56.400 0.004 0.000 0.804 247 E CB -0.395 29.294 29.700 -0.019 0.000 0.745 247 E HN 0.439 nan 8.360 nan 0.000 0.458 248 L N -0.199 121.060 121.223 0.061 0.000 2.017 248 L HA -0.000 4.340 4.340 -0.001 0.000 0.208 248 L C 2.228 179.113 176.870 0.024 0.000 1.073 248 L CA 2.389 57.275 54.840 0.076 0.000 0.745 248 L CB -1.081 41.048 42.059 0.116 0.000 0.894 248 L HN 0.254 nan 8.230 nan 0.000 0.432 249 G N -1.023 107.776 108.800 -0.001 0.000 2.442 249 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.219 249 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.219 249 G C 1.811 176.717 174.900 0.010 0.000 1.141 249 G CA 0.855 45.952 45.100 -0.005 0.000 0.763 249 G HN 0.411 nan 8.290 nan 0.000 0.554 250 R N 0.349 120.855 120.500 0.011 0.000 2.120 250 R HA -0.024 4.315 4.340 -0.001 0.000 0.234 250 R C 2.182 178.494 176.300 0.021 0.000 1.123 250 R CA 1.203 57.311 56.100 0.014 0.000 0.975 250 R CB -0.286 30.020 30.300 0.009 0.000 0.866 250 R HN 0.315 nan 8.270 nan 0.000 0.446 251 N N 0.259 118.976 118.700 0.027 0.000 2.396 251 N HA -0.091 4.649 4.740 -0.001 0.000 0.180 251 N C 0.907 176.439 175.510 0.037 0.000 1.028 251 N CA 0.825 53.897 53.050 0.036 0.000 0.893 251 N CB 0.201 38.717 38.487 0.049 0.000 0.967 251 N HN 0.276 nan 8.380 nan 0.000 0.440 252 L N 0.709 121.951 121.223 0.032 0.000 2.818 252 L HA 0.207 4.547 4.340 -0.001 0.000 0.243 252 L C -0.233 176.654 176.870 0.029 0.000 1.185 252 L CA -0.139 54.720 54.840 0.032 0.000 0.988 252 L CB -0.081 41.996 42.059 0.029 0.000 1.292 252 L HN 0.003 nan 8.230 nan 0.000 0.519 253 N N -0.585 118.131 118.700 0.027 0.000 2.740 253 N HA -0.172 4.568 4.740 -0.001 0.000 0.248 253 N C -0.186 175.340 175.510 0.027 0.000 1.062 253 N CA 0.517 53.582 53.050 0.025 0.000 0.704 253 N CB -1.868 36.635 38.487 0.027 0.000 0.968 253 N HN 0.294 nan 8.380 nan 0.000 0.547 254 c N 0.856 119.470 118.600 0.025 0.000 2.443 254 c HA 0.267 4.837 4.570 -0.001 0.000 0.369 254 c C 1.372 175.478 174.090 0.026 0.000 1.241 254 c CA -0.972 55.374 56.329 0.029 0.000 2.413 254 c CB 1.057 43.581 42.510 0.023 0.000 2.451 254 c HN 0.396 nan 8.230 nan 0.000 0.595 255 N N 1.592 120.312 118.700 0.034 0.000 2.475 255 N HA 0.114 4.853 4.740 -0.001 0.000 0.267 255 N C 0.024 175.545 175.510 0.019 0.000 1.169 255 N CA 0.235 53.301 53.050 0.025 0.000 0.947 255 N CB 0.468 38.973 38.487 0.029 0.000 1.061 255 N HN 0.622 nan 8.380 nan 0.000 0.466 256 L N 3.073 124.302 121.223 0.011 0.000 2.769 256 L HA 0.193 4.533 4.340 -0.001 0.000 0.240 256 L C 1.393 178.265 176.870 0.003 0.000 1.163 256 L CA -0.108 54.735 54.840 0.005 0.000 0.962 256 L CB -0.279 41.781 42.059 0.003 0.000 1.258 256 L HN 0.534 nan 8.230 nan 0.000 0.513 257 N N 0.407 119.110 118.700 0.005 0.000 2.223 257 N HA -0.109 4.631 4.740 -0.001 0.000 0.185 257 N C 0.531 176.041 175.510 0.000 0.000 1.016 257 N CA 1.121 54.172 53.050 0.002 0.000 0.863 257 N CB 0.206 38.694 38.487 0.001 0.000 0.983 257 N HN 0.382 nan 8.380 nan 0.000 0.429 258 S N -1.562 114.139 115.700 0.001 0.000 2.588 258 S HA 0.251 4.721 4.470 -0.001 0.000 0.269 258 S C -0.317 174.283 174.600 -0.001 0.000 1.157 258 S CA -0.950 57.249 58.200 -0.001 0.000 0.824 258 S CB 1.730 64.929 63.200 -0.001 0.000 1.126 258 S HN -0.200 nan 8.310 nan 0.000 0.464 259 D N 1.175 121.572 120.400 -0.006 0.000 2.133 259 D HA -0.087 4.553 4.640 -0.001 0.000 0.195 259 D C 1.560 177.862 176.300 0.004 0.000 0.997 259 D CA 2.025 56.018 54.000 -0.011 0.000 0.840 259 D CB -0.257 40.533 40.800 -0.017 0.000 0.947 259 D HN 0.732 nan 8.370 nan 0.000 0.452 260 E N 0.803 121.011 120.200 0.013 0.000 2.077 260 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 260 E C 2.040 178.674 176.600 0.058 0.000 0.989 260 E CA 0.827 57.247 56.400 0.034 0.000 0.800 260 E CB -0.134 29.578 29.700 0.020 0.000 0.746 260 E HN 0.315 nan 8.360 nan 0.000 0.452 261 E N 0.321 120.543 120.200 0.036 0.000 2.051 261 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 261 E C 2.159 178.803 176.600 0.074 0.000 0.991 261 E CA 0.703 57.133 56.400 0.050 0.000 0.799 261 E CB -0.371 29.343 29.700 0.023 0.000 0.748 261 E HN 0.171 nan 8.360 nan 0.000 0.449 262 L N 1.399 122.642 121.223 0.034 0.000 1.989 262 L HA -0.171 4.169 4.340 -0.001 0.000 0.211 262 L C 2.275 179.152 176.870 0.011 0.000 1.071 262 L CA 1.563 56.409 54.840 0.010 0.000 0.749 262 L CB -0.679 41.364 42.059 -0.026 0.000 0.890 262 L HN 0.064 nan 8.230 nan 0.000 0.431 263 I N -0.970 119.608 120.570 0.014 0.000 2.179 263 I HA -0.340 3.830 4.170 -0.001 0.000 0.242 263 I C 2.636 178.824 176.117 0.119 0.000 1.088 263 I CA 1.611 62.936 61.300 0.042 0.000 1.357 263 I CB -0.705 37.326 38.000 0.051 0.000 1.051 263 I HN 0.497 nan 8.210 nan 0.000 0.409 264 H N 0.525 119.628 119.070 0.055 0.000 2.352 264 H HA -0.270 4.285 4.556 -0.001 0.000 0.299 264 H C 2.453 177.816 175.328 0.057 0.000 1.097 264 H CA 2.292 58.374 56.048 0.056 0.000 1.311 264 H CB -0.228 29.555 29.762 0.034 0.000 1.377 264 H HN 0.513 nan 8.280 nan 0.000 0.504 265 c N 0.912 119.568 118.600 0.093 0.000 2.432 265 c HA -0.076 4.494 4.570 -0.001 0.000 0.277 265 c C 3.068 177.158 174.090 0.001 0.000 1.249 265 c CA 0.735 57.091 56.329 0.044 0.000 1.725 265 c CB -1.415 41.141 42.510 0.076 0.000 2.028 265 c HN 0.577 nan 8.230 nan 0.000 0.477 266 L N 0.196 121.444 121.223 0.042 0.000 2.191 266 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 266 L C 2.914 179.872 176.870 0.146 0.000 1.103 266 L CA 1.385 56.289 54.840 0.106 0.000 0.769 266 L CB -0.653 41.464 42.059 0.097 0.000 0.908 266 L HN 0.384 nan 8.230 nan 0.000 0.438 267 R N -0.505 120.040 120.500 0.075 0.000 2.236 267 R HA -0.060 4.280 4.340 -0.001 0.000 0.208 267 R C 1.637 177.872 176.300 -0.109 0.000 1.036 267 R CA 0.410 56.482 56.100 -0.047 0.000 1.001 267 R CB 0.110 30.366 30.300 -0.075 0.000 0.896 267 R HN 0.249 nan 8.270 nan 0.000 0.464 268 E N 0.577 120.695 120.200 -0.136 0.000 2.478 268 E HA 0.025 4.375 4.350 -0.001 0.000 0.194 268 E C -0.006 176.573 176.600 -0.034 0.000 1.045 268 E CA 0.532 56.869 56.400 -0.106 0.000 0.868 268 E CB 0.276 29.901 29.700 -0.124 0.000 0.885 268 E HN 0.031 nan 8.360 nan 0.000 0.505 269 K N 1.655 122.049 120.400 -0.010 0.000 2.237 269 K HA 0.165 4.485 4.320 -0.001 0.000 0.270 269 K C 0.646 177.269 176.600 0.040 0.000 1.015 269 K CA -0.335 55.965 56.287 0.022 0.000 0.949 269 K CB 0.950 33.471 32.500 0.034 0.000 0.976 269 K HN -0.174 nan 8.250 nan 0.000 0.472 270 K N 2.252 122.683 120.400 0.052 0.000 2.276 270 K HA 0.056 4.375 4.320 -0.001 0.000 0.259 270 K C -1.660 175.018 176.600 0.130 0.000 1.001 270 K CA -1.549 54.778 56.287 0.067 0.000 0.927 270 K CB -0.056 32.475 32.500 0.053 0.000 0.969 270 K HN 0.192 nan 8.250 nan 0.000 0.490 271 P HA -0.214 nan 4.420 nan 0.000 0.215 271 P C 1.254 178.745 177.300 0.319 0.000 1.157 271 P CA 1.394 64.699 63.100 0.342 0.000 0.874 271 P CB 0.275 32.024 31.700 0.082 0.000 0.790 272 Q N 0.104 120.009 119.800 0.175 0.000 2.297 272 Q HA -0.193 4.147 4.340 -0.001 0.000 0.208 272 Q C 1.817 177.908 176.000 0.152 0.000 0.981 272 Q CA 1.616 57.513 55.803 0.156 0.000 0.876 272 Q CB -0.809 27.987 28.738 0.097 0.000 0.921 272 Q HN 0.365 nan 8.270 nan 0.000 0.446 273 E N -1.042 119.236 120.200 0.130 0.000 2.152 273 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 273 E C 1.489 178.151 176.600 0.104 0.000 0.983 273 E CA 0.720 57.181 56.400 0.103 0.000 0.818 273 E CB 0.045 29.790 29.700 0.075 0.000 0.758 273 E HN 0.235 nan 8.360 nan 0.000 0.467 274 L N 0.581 121.867 121.223 0.104 0.000 2.072 274 L HA -0.107 4.233 4.340 -0.001 0.000 0.205 274 L C 2.148 179.083 176.870 0.108 0.000 1.079 274 L CA 1.388 56.252 54.840 0.039 0.000 0.752 274 L CB -0.393 41.586 42.059 -0.134 0.000 0.906 274 L HN 0.144 nan 8.230 nan 0.000 0.436 275 I N -0.614 120.081 120.570 0.208 0.000 2.315 275 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 275 I C 1.852 178.142 176.117 0.288 0.000 1.117 275 I CA 0.886 62.351 61.300 0.276 0.000 1.404 275 I CB -0.361 37.845 38.000 0.343 0.000 1.071 275 I HN 0.223 nan 8.210 nan 0.000 0.419 276 D N 0.401 120.943 120.400 0.236 0.000 2.221 276 D HA -0.127 4.512 4.640 -0.001 0.000 0.204 276 D C 1.917 178.345 176.300 0.215 0.000 0.982 276 D CA 1.507 55.645 54.000 0.231 0.000 0.857 276 D CB 0.056 40.952 40.800 0.160 0.000 0.934 276 D HN 0.392 nan 8.370 nan 0.000 0.475 277 V N -2.620 117.396 119.914 0.171 0.000 3.477 277 V HA 0.192 4.311 4.120 -0.001 0.000 0.297 277 V C 1.808 177.984 176.094 0.138 0.000 1.433 277 V CA 0.028 62.415 62.300 0.146 0.000 1.052 277 V CB 0.316 32.201 31.823 0.104 0.000 0.895 277 V HN -0.058 nan 8.190 nan 0.000 0.438 278 E N 0.907 121.182 120.200 0.125 0.000 2.136 278 E HA -0.294 4.055 4.350 -0.001 0.000 0.202 278 E C 1.599 178.140 176.600 -0.099 0.000 1.019 278 E CA 2.754 59.187 56.400 0.055 0.000 0.819 278 E CB -0.263 29.395 29.700 -0.070 0.000 0.739 278 E HN 0.805 nan 8.360 nan 0.000 0.458 279 W N 0.703 121.984 121.300 -0.033 0.000 2.699 279 W HA 0.012 4.672 4.660 -0.001 0.000 0.249 279 W C 1.734 178.204 176.519 -0.081 0.000 1.280 279 W CA 0.117 57.392 57.345 -0.116 0.000 1.345 279 W CB 0.027 29.373 29.460 -0.189 0.000 1.128 279 W HN 0.108 nan 8.180 nan 0.000 0.642 280 N N 0.144 118.931 118.700 0.145 0.000 2.512 280 N HA -0.100 4.639 4.740 -0.001 0.000 0.183 280 N C 1.684 177.204 175.510 0.017 0.000 1.073 280 N CA 1.402 54.501 53.050 0.081 0.000 0.911 280 N CB -0.501 38.033 38.487 0.077 0.000 0.964 280 N HN 0.243 nan 8.380 nan 0.000 0.447 281 V N -2.154 117.741 119.914 -0.031 0.000 3.649 281 V HA 0.245 4.364 4.120 -0.001 0.000 0.275 281 V C 0.795 176.795 176.094 -0.157 0.000 1.281 281 V CA -0.142 62.101 62.300 -0.096 0.000 1.143 281 V CB -0.688 31.061 31.823 -0.123 0.000 0.892 281 V HN -0.013 nan 8.190 nan 0.000 0.441 282 L N 2.304 123.452 121.223 -0.126 0.000 2.485 282 L HA 0.185 4.525 4.340 -0.001 0.000 0.275 282 L C -0.313 176.437 176.870 -0.200 0.000 1.207 282 L CA -0.716 54.038 54.840 -0.143 0.000 0.855 282 L CB 0.629 42.665 42.059 -0.038 0.000 1.114 282 L HN 0.175 nan 8.230 nan 0.000 0.485 283 P HA 0.008 nan 4.420 nan 0.000 0.230 283 P C -0.196 176.697 177.300 -0.678 0.000 1.168 283 P CA 0.952 63.682 63.100 -0.617 0.000 0.793 283 P CB 0.375 31.495 31.700 -0.966 0.000 0.851 284 F N -0.304 119.642 119.950 -0.006 0.000 2.631 284 F HA 0.400 4.927 4.527 -0.001 0.000 0.328 284 F C 0.431 176.233 175.800 0.004 0.000 1.067 284 F CA -1.701 56.300 58.000 0.003 0.000 0.969 284 F CB 0.080 39.088 39.000 0.013 0.000 1.332 284 F HN -0.355 nan 8.300 nan 0.000 0.490 285 D N 1.156 121.697 120.400 0.235 0.000 2.338 285 D HA 0.395 5.035 4.640 -0.001 0.000 0.255 285 D C -0.577 175.794 176.300 0.119 0.000 1.237 285 D CA 0.418 54.491 54.000 0.122 0.000 0.883 285 D CB 0.348 41.199 40.800 0.085 0.000 1.087 285 D HN 0.619 nan 8.370 nan 0.000 0.485 286 S N 2.509 118.266 115.700 0.094 0.000 2.688 286 S HA 0.715 5.184 4.470 -0.001 0.000 0.275 286 S C -0.880 173.748 174.600 0.046 0.000 1.175 286 S CA -0.914 57.334 58.200 0.081 0.000 0.818 286 S CB 1.013 64.288 63.200 0.124 0.000 1.157 286 S HN 0.287 nan 8.310 nan 0.000 0.482 287 I N 0.306 120.905 120.570 0.048 0.000 2.730 287 I HA 0.697 4.867 4.170 -0.001 0.000 0.298 287 I C -0.885 175.267 176.117 0.059 0.000 1.089 287 I CA -0.544 60.789 61.300 0.056 0.000 1.041 287 I CB 1.659 39.707 38.000 0.079 0.000 1.235 287 I HN 0.843 nan 8.210 nan 0.000 0.423 288 F N 4.633 124.457 119.950 -0.209 0.000 3.080 288 F HA -0.219 4.308 4.527 -0.001 0.000 0.292 288 F C -0.435 174.864 175.800 -0.835 0.000 0.891 288 F CA 0.440 58.102 58.000 -0.563 0.000 1.086 288 F CB -0.629 38.030 39.000 -0.568 0.000 1.095 288 F HN 0.384 nan 8.300 nan 0.000 0.633 289 R N 0.499 120.532 120.500 -0.779 0.000 2.574 289 R HA 0.624 4.964 4.340 -0.001 0.000 0.288 289 R C -1.004 174.799 176.300 -0.829 0.000 1.004 289 R CA -0.555 55.156 56.100 -0.649 0.000 0.895 289 R CB 1.264 31.467 30.300 -0.162 0.000 1.191 289 R HN -0.013 nan 8.270 nan 0.000 0.444 290 F N -0.650 119.386 119.950 0.144 0.000 2.546 290 F HA 0.394 4.921 4.527 -0.001 0.000 0.320 290 F C 1.631 177.326 175.800 -0.176 0.000 1.076 290 F CA -0.867 57.130 58.000 -0.006 0.000 0.928 290 F CB 1.642 40.751 39.000 0.180 0.000 1.189 290 F HN 0.349 nan 8.300 nan 0.000 0.465 291 S N 0.623 116.152 115.700 -0.285 0.000 2.344 291 S HA -0.064 4.405 4.470 -0.001 0.000 0.217 291 S C 0.085 174.192 174.600 -0.821 0.000 1.033 291 S CA 1.288 59.103 58.200 -0.643 0.000 1.017 291 S CB -0.264 62.407 63.200 -0.882 0.000 0.941 291 S HN 0.338 nan 8.310 nan 0.000 0.430 292 F N 1.603 121.569 119.950 0.026 0.000 2.375 292 F HA 0.563 5.090 4.527 -0.001 0.000 0.361 292 F C 0.072 175.905 175.800 0.056 0.000 1.117 292 F CA -0.968 57.086 58.000 0.090 0.000 1.037 292 F CB 1.118 40.216 39.000 0.162 0.000 1.192 292 F HN -0.061 nan 8.300 nan 0.000 0.452 293 V N 0.930 120.839 119.914 -0.008 0.000 3.167 293 V HA 0.744 4.864 4.120 -0.001 0.000 0.310 293 V C -2.917 172.915 176.094 -0.437 0.000 1.207 293 V CA -3.337 58.668 62.300 -0.492 0.000 1.059 293 V CB 1.946 33.587 31.823 -0.302 0.000 1.079 293 V HN 0.276 nan 8.190 nan 0.000 0.446 294 P HA 0.203 nan 4.420 nan 0.000 0.266 294 P C -0.613 176.605 177.300 -0.137 0.000 1.186 294 P CA 0.399 63.319 63.100 -0.301 0.000 0.767 294 P CB 0.364 31.780 31.700 -0.474 0.000 0.820 295 V N 1.193 121.128 119.914 0.035 0.000 2.628 295 V HA 0.421 4.541 4.120 -0.001 0.000 0.306 295 V C 0.014 176.158 176.094 0.084 0.000 1.045 295 V CA -0.889 61.418 62.300 0.010 0.000 0.905 295 V CB 1.780 33.629 31.823 0.042 0.000 0.997 295 V HN 0.226 nan 8.190 nan 0.000 0.436 296 I N 4.957 125.506 120.570 -0.036 0.000 2.372 296 I HA 0.185 4.355 4.170 -0.001 0.000 0.298 296 I C 0.788 176.918 176.117 0.022 0.000 1.137 296 I CA 0.274 61.577 61.300 0.005 0.000 1.314 296 I CB -0.009 37.918 38.000 -0.121 0.000 1.444 296 I HN 0.969 nan 8.210 nan 0.000 0.541 297 D N 3.310 123.790 120.400 0.133 0.000 2.379 297 D HA 0.087 4.726 4.640 -0.001 0.000 0.208 297 D C 1.367 177.655 176.300 -0.020 0.000 1.065 297 D CA 0.641 54.618 54.000 -0.039 0.000 0.848 297 D CB 0.540 41.404 40.800 0.108 0.000 0.949 297 D HN 0.640 nan 8.370 nan 0.000 0.509 298 G N 0.412 109.262 108.800 0.082 0.000 2.179 298 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.260 298 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.260 298 G C 0.682 175.643 174.900 0.101 0.000 0.977 298 G CA 0.662 45.811 45.100 0.081 0.000 0.641 298 G HN 0.472 nan 8.290 nan 0.000 0.533 299 E N -1.677 118.597 120.200 0.122 0.000 3.275 299 E HA 0.383 4.733 4.350 -0.001 0.000 0.182 299 E C 1.681 178.298 176.600 0.028 0.000 1.217 299 E CA -0.249 56.202 56.400 0.086 0.000 1.276 299 E CB -0.082 29.690 29.700 0.121 0.000 1.980 299 E HN 0.161 nan 8.360 nan 0.000 0.516 300 F N 1.138 121.007 119.950 -0.136 0.000 2.126 300 F HA -0.066 4.461 4.527 -0.001 0.000 0.299 300 F C 0.227 175.703 175.800 -0.540 0.000 1.096 300 F CA 1.259 59.035 58.000 -0.374 0.000 1.255 300 F CB 0.245 38.930 39.000 -0.525 0.000 0.997 300 F HN -0.107 nan 8.300 nan 0.000 0.479 301 F N 1.544 121.636 119.950 0.238 0.000 2.347 301 F HA 0.340 4.867 4.527 -0.001 0.000 0.366 301 F C -1.437 174.398 175.800 0.058 0.000 1.107 301 F CA -2.988 55.089 58.000 0.127 0.000 1.058 301 F CB 0.494 39.564 39.000 0.117 0.000 1.236 301 F HN -0.224 nan 8.300 nan 0.000 0.456 302 P HA -0.091 nan 4.420 nan 0.000 0.215 302 P C 0.455 177.809 177.300 0.090 0.000 1.153 302 P CA 1.509 64.661 63.100 0.087 0.000 0.853 302 P CB 0.227 31.952 31.700 0.042 0.000 0.788 303 T N -4.635 109.982 114.554 0.104 0.000 2.669 303 T HA 0.435 4.785 4.350 -0.001 0.000 0.283 303 T C -0.163 174.577 174.700 0.068 0.000 1.019 303 T CA -0.570 61.571 62.100 0.068 0.000 1.039 303 T CB 0.868 69.763 68.868 0.045 0.000 1.374 303 T HN 0.075 nan 8.240 nan 0.000 0.523 304 S N 0.085 115.801 115.700 0.027 0.000 2.563 304 S HA 0.146 4.616 4.470 -0.001 0.000 0.284 304 S C 1.497 176.100 174.600 0.006 0.000 1.331 304 S CA -0.700 57.496 58.200 -0.007 0.000 1.047 304 S CB -0.385 62.806 63.200 -0.014 0.000 0.859 304 S HN 0.652 nan 8.310 nan 0.000 0.514 305 L N 0.509 121.702 121.223 -0.051 0.000 2.046 305 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 305 L C 2.926 179.829 176.870 0.055 0.000 1.077 305 L CA 1.897 56.724 54.840 -0.022 0.000 0.747 305 L CB -0.776 41.206 42.059 -0.128 0.000 0.896 305 L HN 0.787 nan 8.230 nan 0.000 0.432 306 E N 0.687 120.916 120.200 0.048 0.000 2.077 306 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 306 E C 2.270 178.929 176.600 0.098 0.000 0.989 306 E CA 1.737 58.198 56.400 0.101 0.000 0.800 306 E CB -0.088 29.659 29.700 0.078 0.000 0.746 306 E HN 0.487 nan 8.360 nan 0.000 0.452 307 S N -0.617 115.123 115.700 0.067 0.000 2.406 307 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 307 S C 2.130 176.772 174.600 0.069 0.000 1.020 307 S CA 1.099 59.335 58.200 0.061 0.000 0.965 307 S CB -0.332 62.891 63.200 0.038 0.000 0.798 307 S HN 0.230 nan 8.310 nan 0.000 0.488 308 M N 1.067 120.723 119.600 0.093 0.000 2.086 308 M HA 0.028 4.507 4.480 -0.001 0.000 0.261 308 M C 2.243 178.667 176.300 0.207 0.000 1.067 308 M CA 1.458 56.835 55.300 0.128 0.000 1.116 308 M CB -0.688 32.020 32.600 0.180 0.000 1.348 308 M HN 0.302 nan 8.290 nan 0.000 0.407 309 L N 0.007 121.365 121.223 0.225 0.000 2.046 309 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 309 L C 2.201 179.228 176.870 0.262 0.000 1.077 309 L CA 0.978 55.984 54.840 0.277 0.000 0.747 309 L CB -0.811 41.329 42.059 0.135 0.000 0.896 309 L HN 0.381 nan 8.230 nan 0.000 0.432 310 N N -0.390 118.408 118.700 0.163 0.000 2.270 310 N HA -0.118 4.621 4.740 -0.001 0.000 0.181 310 N C 1.919 177.496 175.510 0.113 0.000 1.016 310 N CA 1.631 54.774 53.050 0.154 0.000 0.870 310 N CB -0.058 38.500 38.487 0.119 0.000 0.979 310 N HN 0.340 nan 8.380 nan 0.000 0.431 311 S N -1.113 114.576 115.700 -0.018 0.000 2.575 311 S HA 0.256 4.725 4.470 -0.001 0.000 0.215 311 S C 1.279 175.517 174.600 -0.604 0.000 0.966 311 S CA 0.404 58.517 58.200 -0.146 0.000 0.911 311 S CB 0.242 63.379 63.200 -0.104 0.000 0.780 311 S HN 0.360 nan 8.310 nan 0.000 0.514 312 G N 2.006 110.240 108.800 -0.944 0.000 2.160 312 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.251 312 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.251 312 G C -0.025 174.040 174.900 -1.391 0.000 1.008 312 G CA 0.069 43.921 45.100 -2.080 0.000 0.724 312 G HN 0.598 nan 8.290 nan 0.000 0.514 313 N N 0.617 118.938 118.700 -0.631 0.000 2.895 313 N HA 0.512 5.252 4.740 -0.001 0.000 0.277 313 N C -0.153 175.331 175.510 -0.044 0.000 1.185 313 N CA -0.093 52.775 53.050 -0.303 0.000 1.106 313 N CB -0.889 37.537 38.487 -0.101 0.000 1.422 313 N HN 0.735 nan 8.380 nan 0.000 0.521 314 F N -1.118 118.771 119.950 -0.102 0.000 2.770 314 F HA 0.388 4.914 4.527 -0.000 0.000 0.313 314 F C -0.390 175.424 175.800 0.024 0.000 1.154 314 F CA -1.408 56.603 58.000 0.018 0.000 0.923 314 F CB 0.609 39.685 39.000 0.128 0.000 1.301 314 F HN -0.158 nan 8.300 nan 0.000 0.449 315 K N 1.930 122.584 120.400 0.423 0.000 2.451 315 K HA 0.184 4.504 4.320 -0.001 0.000 0.280 315 K C -0.959 175.887 176.600 0.410 0.000 1.020 315 K CA -0.136 56.310 56.287 0.266 0.000 1.008 315 K CB 0.502 33.103 32.500 0.169 0.000 0.917 315 K HN 0.740 nan 8.250 nan 0.000 0.478 316 K N 3.051 123.569 120.400 0.196 0.000 2.263 316 K HA 0.173 4.493 4.320 -0.001 0.000 0.272 316 K C -0.202 176.525 176.600 0.210 0.000 1.033 316 K CA -0.373 56.033 56.287 0.199 0.000 0.884 316 K CB 1.801 34.323 32.500 0.036 0.000 1.107 316 K HN 0.647 nan 8.250 nan 0.000 0.460 317 T N 1.395 116.158 114.554 0.348 0.000 2.627 317 T HA 0.190 4.540 4.350 -0.001 0.000 0.294 317 T C -1.534 173.368 174.700 0.336 0.000 1.230 317 T CA -0.627 61.623 62.100 0.251 0.000 1.084 317 T CB 0.874 69.856 68.868 0.190 0.000 1.693 317 T HN 0.411 nan 8.240 nan 0.000 0.465 318 Q N 1.070 121.034 119.800 0.273 0.000 2.230 318 Q HA 0.753 5.093 4.340 -0.001 0.000 0.253 318 Q C -0.402 175.893 176.000 0.492 0.000 0.919 318 Q CA -0.475 55.548 55.803 0.367 0.000 0.908 318 Q CB 1.368 30.292 28.738 0.311 0.000 1.245 318 Q HN 0.681 nan 8.270 nan 0.000 0.437 319 I N -1.295 119.499 120.570 0.372 0.000 2.730 319 I HA 0.718 4.888 4.170 -0.001 0.000 0.298 319 I C -1.420 174.571 176.117 -0.210 0.000 1.089 319 I CA -1.388 59.985 61.300 0.123 0.000 1.041 319 I CB 1.880 39.777 38.000 -0.171 0.000 1.235 319 I HN 0.537 nan 8.210 nan 0.000 0.423 320 L N 6.864 127.727 121.223 -0.600 0.000 2.385 320 L HA 0.828 5.167 4.340 -0.001 0.000 0.273 320 L C -1.354 175.284 176.870 -0.386 0.000 0.990 320 L CA -0.558 53.817 54.840 -0.776 0.000 0.821 320 L CB 1.750 42.806 42.059 -1.672 0.000 1.279 320 L HN 0.883 nan 8.230 nan 0.000 0.412 321 L N 2.506 123.638 121.223 -0.151 0.000 2.838 321 L HA 1.086 5.426 4.340 -0.001 0.000 0.266 321 L C -0.938 175.709 176.870 -0.371 0.000 1.040 321 L CA -0.320 54.462 54.840 -0.098 0.000 0.906 321 L CB 1.821 43.810 42.059 -0.117 0.000 1.501 321 L HN 0.701 nan 8.230 nan 0.000 0.407 322 G N -0.020 108.364 108.800 -0.693 0.000 2.428 322 G HA2 0.600 4.559 3.960 -0.001 0.000 0.304 322 G HA3 0.600 4.559 3.960 -0.001 0.000 0.304 322 G C -1.532 173.041 174.900 -0.545 0.000 1.303 322 G CA -0.005 44.350 45.100 -1.241 0.000 0.825 322 G HN 1.562 nan 8.290 nan 0.000 0.484 323 V N -2.507 117.265 119.914 -0.237 0.000 3.160 323 V HA 0.866 4.986 4.120 -0.001 0.000 0.310 323 V C -0.934 175.308 176.094 0.246 0.000 1.181 323 V CA -1.435 60.938 62.300 0.122 0.000 1.047 323 V CB 1.907 33.819 31.823 0.148 0.000 1.068 323 V HN 0.666 nan 8.190 nan 0.000 0.441 324 N N 0.738 119.593 118.700 0.259 0.000 2.472 324 N HA 0.446 5.185 4.740 -0.001 0.000 0.289 324 N C 0.558 176.072 175.510 0.007 0.000 1.156 324 N CA -0.519 52.658 53.050 0.211 0.000 0.940 324 N CB 1.679 40.385 38.487 0.365 0.000 1.200 324 N HN 0.938 nan 8.380 nan 0.000 0.511 325 K N 0.292 120.568 120.400 -0.206 0.000 2.032 325 K HA -0.071 4.249 4.320 -0.001 0.000 0.209 325 K C -0.462 176.231 176.600 0.155 0.000 1.048 325 K CA 1.669 57.891 56.287 -0.109 0.000 0.927 325 K CB 0.119 32.544 32.500 -0.125 0.000 0.712 325 K HN 0.520 nan 8.250 nan 0.000 0.441 326 D N 1.097 121.590 120.400 0.156 0.000 2.683 326 D HA 0.036 4.676 4.640 -0.001 0.000 0.309 326 D C 0.037 176.468 176.300 0.218 0.000 1.238 326 D CA -0.100 54.009 54.000 0.183 0.000 0.936 326 D CB 1.072 41.956 40.800 0.140 0.000 1.001 326 D HN 0.237 nan 8.370 nan 0.000 0.505 327 E N 0.478 120.827 120.200 0.248 0.000 2.153 327 E HA -0.115 4.235 4.350 -0.001 0.000 0.194 327 E C 1.988 178.775 176.600 0.312 0.000 0.988 327 E CA 0.579 57.160 56.400 0.303 0.000 0.811 327 E CB 0.115 29.960 29.700 0.241 0.000 0.746 327 E HN 0.419 nan 8.360 nan 0.000 0.466 328 G N 1.433 110.385 108.800 0.255 0.000 2.511 328 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 328 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 328 G C 1.750 176.844 174.900 0.324 0.000 1.133 328 G CA 0.887 46.176 45.100 0.314 0.000 0.792 328 G HN 0.372 nan 8.290 nan 0.000 0.539 329 S N 0.739 116.565 115.700 0.210 0.000 2.374 329 S HA -0.195 4.275 4.470 -0.001 0.000 0.227 329 S C 2.082 176.670 174.600 -0.020 0.000 1.037 329 S CA 1.182 59.451 58.200 0.115 0.000 1.024 329 S CB -0.610 62.549 63.200 -0.069 0.000 0.861 329 S HN 0.133 nan 8.310 nan 0.000 0.456 330 F N 2.103 121.863 119.950 -0.316 0.000 2.120 330 F HA 0.024 4.551 4.527 -0.001 0.000 0.300 330 F C 1.804 177.199 175.800 -0.674 0.000 1.095 330 F CA 0.447 58.045 58.000 -0.669 0.000 1.249 330 F CB -0.821 37.556 39.000 -1.037 0.000 0.995 330 F HN 0.204 nan 8.300 nan 0.000 0.480 331 F N -1.011 118.960 119.950 0.035 0.000 2.367 331 F HA -0.042 4.485 4.527 -0.001 0.000 0.298 331 F C 2.194 177.984 175.800 -0.017 0.000 1.094 331 F CA 0.566 58.531 58.000 -0.060 0.000 1.409 331 F CB -0.920 37.984 39.000 -0.161 0.000 1.064 331 F HN -0.138 nan 8.300 nan 0.000 0.528 332 L N -0.619 120.619 121.223 0.025 0.000 2.072 332 L HA -0.150 4.189 4.340 -0.001 0.000 0.205 332 L C 2.435 179.201 176.870 -0.174 0.000 1.079 332 L CA 0.512 55.140 54.840 -0.355 0.000 0.752 332 L CB -0.582 40.870 42.059 -1.012 0.000 0.906 332 L HN 0.166 nan 8.230 nan 0.000 0.436 333 L N -0.929 120.406 121.223 0.187 0.000 2.012 333 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 333 L C 2.328 179.414 176.870 0.361 0.000 1.073 333 L CA 2.034 57.147 54.840 0.453 0.000 0.748 333 L CB -0.728 41.608 42.059 0.463 0.000 0.891 333 L HN 0.115 nan 8.230 nan 0.000 0.431 334 Y N -0.589 119.782 120.300 0.118 0.000 2.457 334 Y HA 0.160 4.710 4.550 -0.001 0.000 0.292 334 Y C 2.282 178.197 175.900 0.026 0.000 1.125 334 Y CA 1.012 59.161 58.100 0.082 0.000 1.254 334 Y CB -0.241 38.225 38.460 0.010 0.000 1.012 334 Y HN 0.320 nan 8.280 nan 0.000 0.555 335 G N -1.968 106.925 108.800 0.155 0.000 3.040 335 G HA2 0.391 4.351 3.960 -0.001 0.000 0.214 335 G HA3 0.391 4.351 3.960 -0.001 0.000 0.214 335 G C 0.044 174.989 174.900 0.074 0.000 1.093 335 G CA 0.323 45.471 45.100 0.079 0.000 0.931 335 G HN 0.282 nan 8.290 nan 0.000 0.632 336 A N 1.877 124.741 122.820 0.075 0.000 2.327 336 A HA 0.715 5.035 4.320 -0.001 0.000 0.283 336 A C -2.216 175.525 177.584 0.261 0.000 1.127 336 A CA -1.295 50.817 52.037 0.125 0.000 0.810 336 A CB 0.498 19.522 19.000 0.039 0.000 1.066 336 A HN 0.103 nan 8.150 nan 0.000 0.492 337 P HA 0.266 nan 4.420 nan 0.000 0.268 337 P C 0.842 178.223 177.300 0.136 0.000 1.204 337 P CA 1.347 64.533 63.100 0.143 0.000 0.768 337 P CB 1.095 32.842 31.700 0.078 0.000 0.842 338 G N 1.840 110.660 108.800 0.032 0.000 2.254 338 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.225 338 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.225 338 G C -0.219 174.490 174.900 -0.317 0.000 1.003 338 G CA -0.501 44.497 45.100 -0.171 0.000 0.622 338 G HN 0.440 nan 8.290 nan 0.000 0.507 339 F N 2.291 122.172 119.950 -0.115 0.000 2.404 339 F HA 0.682 5.209 4.527 -0.001 0.000 0.339 339 F C 0.716 176.519 175.800 0.004 0.000 1.105 339 F CA -0.045 57.848 58.000 -0.177 0.000 1.087 339 F CB 2.130 41.054 39.000 -0.126 0.000 1.143 339 F HN 0.132 nan 8.300 nan 0.000 0.491 340 S N 1.358 117.191 115.700 0.222 0.000 2.579 340 S HA 0.301 4.770 4.470 -0.001 0.000 0.272 340 S C 0.412 175.264 174.600 0.420 0.000 1.141 340 S CA -1.255 57.111 58.200 0.277 0.000 0.843 340 S CB 2.177 65.462 63.200 0.140 0.000 1.122 340 S HN 0.692 nan 8.310 nan 0.000 0.468 341 K N 0.246 120.824 120.400 0.296 0.000 2.148 341 K HA -0.054 4.266 4.320 -0.001 0.000 0.204 341 K C -0.108 176.558 176.600 0.111 0.000 1.050 341 K CA 1.435 57.806 56.287 0.139 0.000 0.942 341 K CB -0.025 32.263 32.500 -0.353 0.000 0.724 341 K HN 0.504 nan 8.250 nan 0.000 0.446 342 D N 0.322 120.774 120.400 0.086 0.000 2.368 342 D HA 0.025 4.664 4.640 -0.001 0.000 0.218 342 D C -0.049 176.303 176.300 0.086 0.000 1.112 342 D CA 0.115 54.145 54.000 0.049 0.000 0.834 342 D CB 0.812 41.610 40.800 -0.004 0.000 0.953 342 D HN 0.184 nan 8.370 nan 0.000 0.505 343 S N -1.157 114.625 115.700 0.137 0.000 2.709 343 S HA 0.346 4.816 4.470 -0.001 0.000 0.302 343 S C 0.741 175.412 174.600 0.119 0.000 1.127 343 S CA -0.692 57.552 58.200 0.073 0.000 0.905 343 S CB 2.400 65.595 63.200 -0.007 0.000 1.151 343 S HN -0.148 nan 8.310 nan 0.000 0.510 344 E N 0.537 120.752 120.200 0.025 0.000 2.427 344 E HA 0.073 4.423 4.350 -0.001 0.000 0.196 344 E C -0.352 176.055 176.600 -0.322 0.000 1.028 344 E CA 0.420 56.826 56.400 0.011 0.000 0.864 344 E CB -0.168 29.534 29.700 0.004 0.000 0.813 344 E HN 0.713 nan 8.360 nan 0.000 0.514 345 S N 1.061 116.497 115.700 -0.440 0.000 3.631 345 S HA -0.178 4.292 4.470 -0.001 0.000 0.366 345 S C -0.290 173.920 174.600 -0.649 0.000 0.993 345 S CA 0.669 58.429 58.200 -0.733 0.000 1.167 345 S CB -1.176 61.156 63.200 -1.446 0.000 0.909 345 S HN 0.274 nan 8.310 nan 0.000 0.478 346 K N 0.830 121.003 120.400 -0.378 0.000 2.368 346 K HA 0.294 4.613 4.320 -0.001 0.000 0.282 346 K C 0.261 176.664 176.600 -0.328 0.000 1.035 346 K CA -0.138 55.978 56.287 -0.284 0.000 0.973 346 K CB 0.409 32.809 32.500 -0.167 0.000 0.957 346 K HN 0.182 nan 8.250 nan 0.000 0.474 347 I N 2.733 123.117 120.570 -0.310 0.000 2.354 347 I HA 0.056 4.226 4.170 -0.001 0.000 0.292 347 I C 0.901 176.942 176.117 -0.128 0.000 0.989 347 I CA -0.369 60.768 61.300 -0.271 0.000 1.188 347 I CB 1.180 39.014 38.000 -0.277 0.000 1.342 347 I HN 0.683 nan 8.210 nan 0.000 0.457 348 S N 5.979 121.623 115.700 -0.094 0.000 2.600 348 S HA 0.202 4.672 4.470 -0.001 0.000 0.265 348 S C 1.199 175.801 174.600 0.004 0.000 1.325 348 S CA -0.356 57.815 58.200 -0.049 0.000 1.002 348 S CB 1.336 64.515 63.200 -0.034 0.000 0.921 348 S HN 0.605 nan 8.310 nan 0.000 0.554 349 R N 1.141 121.637 120.500 -0.007 0.000 2.105 349 R HA -0.047 4.292 4.340 -0.001 0.000 0.239 349 R C 2.666 179.039 176.300 0.121 0.000 1.135 349 R CA 2.340 58.452 56.100 0.019 0.000 0.967 349 R CB -1.476 28.825 30.300 0.002 0.000 0.861 349 R HN 0.939 nan 8.270 nan 0.000 0.442 350 E N 0.332 120.581 120.200 0.082 0.000 2.072 350 E HA -0.128 4.222 4.350 -0.001 0.000 0.190 350 E C 1.706 178.364 176.600 0.097 0.000 0.982 350 E CA 1.510 57.962 56.400 0.087 0.000 0.803 350 E CB -0.695 29.036 29.700 0.051 0.000 0.755 350 E HN 0.434 nan 8.360 nan 0.000 0.453 351 D N -0.919 119.530 120.400 0.081 0.000 2.178 351 D HA -0.034 4.606 4.640 -0.001 0.000 0.202 351 D C 1.641 178.021 176.300 0.134 0.000 0.974 351 D CA 0.741 54.787 54.000 0.077 0.000 0.841 351 D CB -0.384 40.426 40.800 0.017 0.000 0.953 351 D HN 0.445 nan 8.370 nan 0.000 0.478 352 F N 0.971 120.928 119.950 0.012 0.000 2.102 352 F HA -0.147 4.379 4.527 -0.001 0.000 0.298 352 F C 2.307 178.134 175.800 0.046 0.000 1.105 352 F CA 1.346 59.366 58.000 0.033 0.000 1.239 352 F CB -0.198 38.798 39.000 -0.006 0.000 0.991 352 F HN -0.160 nan 8.300 nan 0.000 0.474 353 M N -0.238 119.484 119.600 0.205 0.000 2.159 353 M HA -0.178 4.302 4.480 -0.001 0.000 0.263 353 M C 2.446 178.745 176.300 -0.000 0.000 1.063 353 M CA 1.829 57.184 55.300 0.091 0.000 1.110 353 M CB -0.550 32.148 32.600 0.163 0.000 1.374 353 M HN 0.395 nan 8.290 nan 0.000 0.411 354 S N -0.054 115.661 115.700 0.024 0.000 2.428 354 S HA -0.031 4.439 4.470 -0.001 0.000 0.230 354 S C 1.957 176.549 174.600 -0.014 0.000 1.014 354 S CA 1.042 59.250 58.200 0.013 0.000 0.957 354 S CB -0.872 62.348 63.200 0.034 0.000 0.784 354 S HN 0.504 nan 8.310 nan 0.000 0.499 355 G N 1.673 110.455 108.800 -0.030 0.000 2.418 355 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.217 355 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.217 355 G C 1.605 176.419 174.900 -0.143 0.000 1.158 355 G CA 1.055 46.123 45.100 -0.053 0.000 0.771 355 G HN 0.859 nan 8.290 nan 0.000 0.545 356 V N 0.468 120.232 119.914 -0.252 0.000 2.515 356 V HA -0.025 4.094 4.120 -0.001 0.000 0.250 356 V C 2.541 178.566 176.094 -0.114 0.000 1.058 356 V CA 2.725 64.896 62.300 -0.214 0.000 1.064 356 V CB -0.384 31.292 31.823 -0.245 0.000 0.675 356 V HN 0.307 nan 8.190 nan 0.000 0.461 357 K N 0.193 120.541 120.400 -0.086 0.000 2.057 357 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 357 K C 1.880 178.443 176.600 -0.062 0.000 1.049 357 K CA 2.130 58.375 56.287 -0.070 0.000 0.931 357 K CB -0.792 31.683 32.500 -0.041 0.000 0.714 357 K HN 0.450 nan 8.250 nan 0.000 0.440 358 L N 0.799 122.000 121.223 -0.037 0.000 2.131 358 L HA -0.037 4.302 4.340 -0.001 0.000 0.210 358 L C 2.094 178.962 176.870 -0.004 0.000 1.092 358 L CA 1.627 56.462 54.840 -0.008 0.000 0.759 358 L CB -0.950 41.113 42.059 0.007 0.000 0.903 358 L HN 0.173 nan 8.230 nan 0.000 0.435 359 S N -1.553 114.129 115.700 -0.030 0.000 2.428 359 S HA 0.031 4.501 4.470 -0.001 0.000 0.230 359 S C 0.949 175.528 174.600 -0.034 0.000 1.014 359 S CA 0.429 58.618 58.200 -0.018 0.000 0.957 359 S CB 0.231 63.397 63.200 -0.057 0.000 0.784 359 S HN 0.171 nan 8.310 nan 0.000 0.499 360 V N 3.050 122.900 119.914 -0.108 0.000 2.361 360 V HA 0.209 4.329 4.120 -0.001 0.000 0.252 360 V C -1.775 174.149 176.094 -0.283 0.000 0.986 360 V CA -1.321 60.829 62.300 -0.250 0.000 1.033 360 V CB 0.911 32.561 31.823 -0.288 0.000 1.282 360 V HN 0.175 nan 8.190 nan 0.000 0.514 361 P HA -0.188 nan 4.420 nan 0.000 0.219 361 P C 1.092 178.038 177.300 -0.591 0.000 1.146 361 P CA 1.497 64.444 63.100 -0.255 0.000 0.808 361 P CB 0.012 31.689 31.700 -0.037 0.000 0.779 362 H N -0.959 117.845 119.070 -0.443 0.000 2.543 362 H HA 0.490 5.045 4.556 -0.001 0.000 0.269 362 H C 0.307 175.472 175.328 -0.272 0.000 1.005 362 H CA -0.241 55.551 56.048 -0.426 0.000 1.146 362 H CB -0.542 29.129 29.762 -0.152 0.000 1.353 362 H HN -0.006 nan 8.280 nan 0.000 0.595 363 A N 2.030 124.537 122.820 -0.523 0.000 2.306 363 A HA 0.349 4.669 4.320 -0.001 0.000 0.314 363 A C 0.198 177.646 177.584 -0.227 0.000 1.164 363 A CA -0.726 51.089 52.037 -0.369 0.000 0.822 363 A CB 0.833 19.603 19.000 -0.384 0.000 1.130 363 A HN 0.596 nan 8.150 nan 0.000 0.496 364 N N 1.144 119.749 118.700 -0.158 0.000 2.366 364 N HA 0.137 4.876 4.740 -0.001 0.000 0.277 364 N C -0.111 175.348 175.510 -0.085 0.000 1.275 364 N CA -0.308 52.679 53.050 -0.106 0.000 0.964 364 N CB 0.127 38.568 38.487 -0.077 0.000 1.167 364 N HN 0.456 nan 8.380 nan 0.000 0.568 365 D N -0.936 119.433 120.400 -0.053 0.000 2.144 365 D HA -0.106 4.534 4.640 -0.001 0.000 0.199 365 D C 1.704 177.996 176.300 -0.014 0.000 0.984 365 D CA 0.673 54.656 54.000 -0.029 0.000 0.834 365 D CB -0.281 40.510 40.800 -0.014 0.000 0.955 365 D HN 0.432 nan 8.370 nan 0.000 0.465 366 L N 0.777 121.989 121.223 -0.019 0.000 2.017 366 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 366 L C 2.177 179.049 176.870 0.003 0.000 1.073 366 L CA 2.098 56.937 54.840 -0.002 0.000 0.745 366 L CB -0.958 41.090 42.059 -0.017 0.000 0.894 366 L HN 0.075 nan 8.230 nan 0.000 0.432 367 G N -0.466 108.306 108.800 -0.047 0.000 2.421 367 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 367 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 367 G C 1.602 176.493 174.900 -0.015 0.000 1.171 367 G CA 1.113 46.172 45.100 -0.067 0.000 0.775 367 G HN 0.440 nan 8.290 nan 0.000 0.543 368 L N 0.460 121.665 121.223 -0.030 0.000 2.042 368 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 368 L C 2.564 179.477 176.870 0.071 0.000 1.076 368 L CA 1.280 56.120 54.840 0.000 0.000 0.749 368 L CB -0.437 41.609 42.059 -0.021 0.000 0.893 368 L HN 0.100 nan 8.230 nan 0.000 0.432 369 D N 0.250 120.698 120.400 0.080 0.000 2.117 369 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 369 D C 2.255 178.655 176.300 0.166 0.000 0.987 369 D CA 1.541 55.616 54.000 0.125 0.000 0.829 369 D CB -0.111 40.747 40.800 0.096 0.000 0.961 369 D HN 0.314 nan 8.370 nan 0.000 0.460 370 A N 0.648 123.578 122.820 0.183 0.000 1.883 370 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 370 A C 2.560 180.296 177.584 0.253 0.000 1.186 370 A CA 1.518 53.728 52.037 0.289 0.000 0.624 370 A CB -0.835 18.429 19.000 0.440 0.000 0.822 370 A HN 0.155 nan 8.150 nan 0.000 0.444 371 V N -0.403 119.664 119.914 0.256 0.000 2.295 371 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 371 V C 2.754 178.952 176.094 0.174 0.000 1.049 371 V CA 2.514 64.906 62.300 0.153 0.000 1.024 371 V CB -1.337 30.575 31.823 0.149 0.000 0.648 371 V HN 0.612 nan 8.190 nan 0.000 0.447 372 T N 0.584 115.265 114.554 0.212 0.000 2.684 372 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 372 T C 1.894 176.771 174.700 0.295 0.000 1.036 372 T CA 1.983 64.279 62.100 0.327 0.000 1.148 372 T CB -0.383 68.683 68.868 0.331 0.000 0.863 372 T HN 0.309 nan 8.240 nan 0.000 0.436 373 L N 1.232 122.624 121.223 0.282 0.000 2.083 373 L HA -0.016 4.324 4.340 -0.001 0.000 0.209 373 L C 2.430 179.360 176.870 0.100 0.000 1.083 373 L CA 1.797 56.838 54.840 0.335 0.000 0.752 373 L CB -0.870 41.349 42.059 0.265 0.000 0.899 373 L HN 0.130 nan 8.230 nan 0.000 0.433 374 Q N -1.370 118.379 119.800 -0.086 0.000 2.226 374 Q HA -0.188 4.152 4.340 -0.001 0.000 0.204 374 Q C 1.062 176.814 176.000 -0.413 0.000 0.975 374 Q CA 1.843 57.411 55.803 -0.392 0.000 0.866 374 Q CB -0.188 27.980 28.738 -0.949 0.000 0.915 374 Q HN 0.697 nan 8.270 nan 0.000 0.440 375 Y N -1.281 118.962 120.300 -0.095 0.000 2.531 375 Y HA 0.327 4.877 4.550 -0.001 0.000 0.249 375 Y C -0.222 175.611 175.900 -0.111 0.000 1.168 375 Y CA -0.277 57.818 58.100 -0.008 0.000 1.226 375 Y CB 1.084 39.652 38.460 0.179 0.000 1.177 375 Y HN -0.174 nan 8.280 nan 0.000 0.527 376 T N 0.793 115.222 114.554 -0.208 0.000 2.795 376 T HA 0.086 4.436 4.350 -0.001 0.000 0.282 376 T C -0.791 173.506 174.700 -0.672 0.000 0.980 376 T CA -0.644 61.066 62.100 -0.650 0.000 1.012 376 T CB 1.003 69.132 68.868 -1.232 0.000 0.936 376 T HN 0.002 nan 8.240 nan 0.000 0.457 377 D N 2.035 122.121 120.400 -0.523 0.000 2.393 377 D HA 0.101 4.741 4.640 -0.001 0.000 0.232 377 D C 0.050 176.135 176.300 -0.359 0.000 1.192 377 D CA -0.742 53.062 54.000 -0.325 0.000 0.882 377 D CB 0.385 41.068 40.800 -0.196 0.000 1.038 377 D HN 0.608 nan 8.370 nan 0.000 0.499 378 W N 3.100 124.362 121.300 -0.064 0.000 2.825 378 W HA 0.031 4.691 4.660 -0.001 0.000 0.243 378 W C 1.888 178.378 176.519 -0.048 0.000 1.293 378 W CA -0.083 57.227 57.345 -0.057 0.000 1.403 378 W CB -0.095 29.337 29.460 -0.046 0.000 1.134 378 W HN 0.387 nan 8.180 nan 0.000 0.666 379 M N -0.584 119.078 119.600 0.103 0.000 2.561 379 M HA 0.065 4.544 4.480 -0.001 0.000 0.238 379 M C 0.074 176.385 176.300 0.018 0.000 1.131 379 M CA 1.139 56.477 55.300 0.063 0.000 1.046 379 M CB 0.110 32.729 32.600 0.031 0.000 1.532 379 M HN -0.187 nan 8.290 nan 0.000 0.497 380 D N 0.462 120.846 120.400 -0.026 0.000 3.671 380 D HA -0.007 4.632 4.640 -0.001 0.000 0.291 380 D C 0.282 176.506 176.300 -0.126 0.000 1.373 380 D CA 0.032 53.997 54.000 -0.058 0.000 0.753 380 D CB 0.249 41.014 40.800 -0.059 0.000 1.338 380 D HN 0.210 nan 8.370 nan 0.000 0.690 381 D N -0.838 119.484 120.400 -0.130 0.000 2.350 381 D HA -0.105 4.535 4.640 -0.001 0.000 0.216 381 D C 0.511 176.692 176.300 -0.198 0.000 0.968 381 D CA 0.219 54.071 54.000 -0.246 0.000 0.894 381 D CB 0.188 40.871 40.800 -0.194 0.000 0.909 381 D HN 0.157 nan 8.370 nan 0.000 0.520 382 N N 0.490 119.121 118.700 -0.115 0.000 2.235 382 N HA -0.015 4.725 4.740 -0.001 0.000 0.209 382 N C -0.267 175.183 175.510 -0.099 0.000 1.122 382 N CA -0.176 52.817 53.050 -0.095 0.000 0.845 382 N CB 0.073 38.531 38.487 -0.050 0.000 1.004 382 N HN 0.353 nan 8.380 nan 0.000 0.499 383 N N 0.178 118.807 118.700 -0.117 0.000 2.416 383 N HA 0.063 4.803 4.740 -0.001 0.000 0.265 383 N C 1.490 176.933 175.510 -0.111 0.000 1.195 383 N CA -0.234 52.757 53.050 -0.098 0.000 0.943 383 N CB 0.774 39.205 38.487 -0.093 0.000 1.115 383 N HN 0.048 nan 8.380 nan 0.000 0.481 384 G N 4.206 112.949 108.800 -0.095 0.000 2.440 384 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 384 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 384 G C 1.320 176.160 174.900 -0.100 0.000 1.154 384 G CA 0.560 45.594 45.100 -0.109 0.000 0.767 384 G HN 0.596 nan 8.290 nan 0.000 0.552 385 I N 0.972 121.502 120.570 -0.066 0.000 2.252 385 I HA -0.064 4.105 4.170 -0.001 0.000 0.245 385 I C 2.566 178.680 176.117 -0.004 0.000 1.102 385 I CA 1.079 62.362 61.300 -0.027 0.000 1.385 385 I CB -1.018 36.980 38.000 -0.003 0.000 1.064 385 I HN 0.198 nan 8.210 nan 0.000 0.414 386 K N 0.573 120.953 120.400 -0.033 0.000 2.097 386 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 386 K C 1.862 178.436 176.600 -0.043 0.000 1.050 386 K CA 1.149 57.414 56.287 -0.037 0.000 0.938 386 K CB -0.106 32.339 32.500 -0.092 0.000 0.718 386 K HN 0.308 nan 8.250 nan 0.000 0.442 387 N N 0.844 119.483 118.700 -0.102 0.000 2.142 387 N HA -0.150 4.590 4.740 -0.001 0.000 0.186 387 N C 1.721 177.357 175.510 0.209 0.000 1.023 387 N CA 0.933 53.936 53.050 -0.079 0.000 0.852 387 N CB -0.198 38.207 38.487 -0.138 0.000 0.998 387 N HN 0.199 nan 8.380 nan 0.000 0.424 388 R N 1.090 121.637 120.500 0.079 0.000 2.070 388 R HA -0.110 4.230 4.340 -0.001 0.000 0.232 388 R C 0.871 177.337 176.300 0.276 0.000 1.138 388 R CA 1.673 57.840 56.100 0.112 0.000 0.936 388 R CB -0.107 30.140 30.300 -0.088 0.000 0.839 388 R HN 0.079 nan 8.270 nan 0.000 0.429 389 D N -0.547 119.980 120.400 0.211 0.000 2.178 389 D HA -0.094 4.546 4.640 -0.001 0.000 0.201 389 D C 1.723 178.180 176.300 0.263 0.000 0.980 389 D CA 1.448 55.592 54.000 0.241 0.000 0.842 389 D CB -0.509 40.402 40.800 0.185 0.000 0.948 389 D HN 0.543 nan 8.370 nan 0.000 0.472 390 G N 0.703 109.672 108.800 0.282 0.000 2.422 390 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.218 390 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.218 390 G C 1.538 176.618 174.900 0.300 0.000 1.146 390 G CA 0.238 45.559 45.100 0.369 0.000 0.769 390 G HN 0.199 nan 8.290 nan 0.000 0.547 391 L N 0.993 122.416 121.223 0.334 0.000 2.093 391 L HA 0.032 4.372 4.340 -0.001 0.000 0.208 391 L C 2.198 179.118 176.870 0.084 0.000 1.085 391 L CA 1.883 56.785 54.840 0.105 0.000 0.755 391 L CB -0.558 41.626 42.059 0.208 0.000 0.904 391 L HN 0.174 nan 8.230 nan 0.000 0.435 392 D N -0.556 119.965 120.400 0.201 0.000 2.097 392 D HA -0.210 4.430 4.640 -0.001 0.000 0.195 392 D C 1.640 178.021 176.300 0.136 0.000 0.989 392 D CA 1.329 55.447 54.000 0.196 0.000 0.827 392 D CB 0.074 41.051 40.800 0.294 0.000 0.966 392 D HN 0.334 nan 8.370 nan 0.000 0.456 393 D N -0.045 120.448 120.400 0.154 0.000 2.144 393 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 393 D C 2.348 178.635 176.300 -0.021 0.000 0.984 393 D CA 0.364 54.461 54.000 0.162 0.000 0.834 393 D CB -0.191 40.816 40.800 0.344 0.000 0.955 393 D HN 0.360 nan 8.370 nan 0.000 0.465 394 I N 0.481 120.877 120.570 -0.290 0.000 2.127 394 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 394 I C 2.449 178.414 176.117 -0.253 0.000 1.075 394 I CA 0.772 61.822 61.300 -0.417 0.000 1.334 394 I CB -0.170 37.573 38.000 -0.428 0.000 1.040 394 I HN -0.106 nan 8.210 nan 0.000 0.405 395 V N 0.861 120.685 119.914 -0.149 0.000 2.295 395 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 395 V C 2.549 178.520 176.094 -0.204 0.000 1.049 395 V CA 2.265 64.487 62.300 -0.129 0.000 1.024 395 V CB -1.493 30.343 31.823 0.021 0.000 0.648 395 V HN 0.595 nan 8.190 nan 0.000 0.447 396 G N -0.414 108.341 108.800 -0.077 0.000 2.418 396 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 396 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 396 G C 1.242 176.055 174.900 -0.144 0.000 1.158 396 G CA 1.014 46.078 45.100 -0.060 0.000 0.771 396 G HN 0.503 nan 8.290 nan 0.000 0.545 397 D N -0.184 120.133 120.400 -0.139 0.000 2.097 397 D HA -0.097 4.543 4.640 -0.001 0.000 0.195 397 D C 2.090 178.048 176.300 -0.570 0.000 0.989 397 D CA 1.366 55.251 54.000 -0.191 0.000 0.827 397 D CB -0.456 40.371 40.800 0.045 0.000 0.966 397 D HN 0.444 nan 8.370 nan 0.000 0.456 398 H N 0.810 119.217 119.070 -1.105 0.000 2.357 398 H HA 0.041 4.596 4.556 -0.001 0.000 0.301 398 H C 1.496 176.430 175.328 -0.657 0.000 1.082 398 H CA 1.652 56.933 56.048 -1.279 0.000 1.342 398 H CB 0.057 28.877 29.762 -1.571 0.000 1.389 398 H HN -0.012 nan 8.280 nan 0.000 0.511 399 N N -0.717 117.491 118.700 -0.821 0.000 2.409 399 N HA -0.002 4.738 4.740 -0.001 0.000 0.174 399 N C 1.160 176.403 175.510 -0.444 0.000 1.037 399 N CA 1.079 53.597 53.050 -0.886 0.000 0.898 399 N CB 1.064 38.457 38.487 -1.823 0.000 1.010 399 N HN 0.281 nan 8.380 nan 0.000 0.445 400 V N 0.393 120.117 119.914 -0.317 0.000 3.278 400 V HA 0.163 4.283 4.120 -0.001 0.000 0.215 400 V C 2.060 178.135 176.094 -0.031 0.000 1.287 400 V CA -0.047 62.216 62.300 -0.061 0.000 1.302 400 V CB 0.182 32.034 31.823 0.048 0.000 1.228 400 V HN -0.054 nan 8.190 nan 0.000 0.523 401 I N 0.591 121.148 120.570 -0.021 0.000 2.142 401 I HA -0.272 3.898 4.170 -0.001 0.000 0.240 401 I C 2.530 178.662 176.117 0.025 0.000 1.078 401 I CA 1.879 63.198 61.300 0.032 0.000 1.343 401 I CB -0.448 37.606 38.000 0.089 0.000 1.046 401 I HN 0.385 nan 8.210 nan 0.000 0.405 402 c N 0.639 119.242 118.600 0.006 0.000 2.440 402 c HA -0.017 4.552 4.570 -0.001 0.000 0.278 402 c C 0.228 174.360 174.090 0.071 0.000 1.295 402 c CA 0.533 56.910 56.329 0.081 0.000 1.738 402 c CB -1.788 40.820 42.510 0.163 0.000 1.987 402 c HN 0.352 nan 8.230 nan 0.000 0.492 403 P HA -0.098 nan 4.420 nan 0.000 0.217 403 P C 1.758 179.096 177.300 0.064 0.000 1.150 403 P CA 1.093 64.188 63.100 -0.009 0.000 0.832 403 P CB -0.175 31.433 31.700 -0.153 0.000 0.787 404 L N -1.836 119.403 121.223 0.027 0.000 2.093 404 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 404 L C 2.089 179.006 176.870 0.079 0.000 1.085 404 L CA 1.599 56.469 54.840 0.051 0.000 0.755 404 L CB -0.507 41.553 42.059 0.002 0.000 0.904 404 L HN -0.101 nan 8.230 nan 0.000 0.435 405 M N -1.070 118.567 119.600 0.062 0.000 2.159 405 M HA -0.220 4.259 4.480 -0.001 0.000 0.263 405 M C 2.262 178.625 176.300 0.106 0.000 1.063 405 M CA 1.624 56.957 55.300 0.054 0.000 1.110 405 M CB -1.584 31.066 32.600 0.085 0.000 1.374 405 M HN 0.409 nan 8.290 nan 0.000 0.411 406 H N -0.190 118.923 119.070 0.070 0.000 2.357 406 H HA -0.157 4.398 4.556 -0.001 0.000 0.301 406 H C 1.815 177.187 175.328 0.073 0.000 1.082 406 H CA 1.858 57.953 56.048 0.079 0.000 1.342 406 H CB -0.366 29.443 29.762 0.078 0.000 1.389 406 H HN 0.236 nan 8.280 nan 0.000 0.511 407 F N 0.015 119.905 119.950 -0.100 0.000 2.102 407 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 407 F C 2.459 178.168 175.800 -0.151 0.000 1.105 407 F CA 1.489 59.391 58.000 -0.163 0.000 1.239 407 F CB -0.905 38.011 39.000 -0.141 0.000 0.991 407 F HN 0.126 nan 8.300 nan 0.000 0.474 408 V N 0.923 120.703 119.914 -0.223 0.000 2.515 408 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 408 V C 2.156 178.091 176.094 -0.265 0.000 1.058 408 V CA 2.303 64.371 62.300 -0.387 0.000 1.064 408 V CB -0.604 30.919 31.823 -0.501 0.000 0.675 408 V HN 0.419 nan 8.190 nan 0.000 0.461 409 N N -0.155 118.481 118.700 -0.106 0.000 2.216 409 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 409 N C 1.795 177.291 175.510 -0.023 0.000 1.017 409 N CA 0.939 54.032 53.050 0.071 0.000 0.861 409 N CB -0.146 38.419 38.487 0.129 0.000 0.986 409 N HN 0.372 nan 8.380 nan 0.000 0.428 410 K N 0.682 120.979 120.400 -0.171 0.000 2.057 410 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 410 K C 1.930 178.520 176.600 -0.017 0.000 1.050 410 K CA 0.736 56.958 56.287 -0.108 0.000 0.935 410 K CB -0.873 31.497 32.500 -0.217 0.000 0.715 410 K HN 0.294 nan 8.250 nan 0.000 0.439 411 Y N 2.268 122.325 120.300 -0.406 0.000 2.145 411 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 411 Y C 2.223 178.129 175.900 0.010 0.000 1.145 411 Y CA 2.055 59.909 58.100 -0.409 0.000 1.148 411 Y CB -0.452 37.426 38.460 -0.969 0.000 0.981 411 Y HN 0.045 nan 8.280 nan 0.000 0.507 412 T N 0.264 114.868 114.554 0.084 0.000 2.822 412 T HA -0.252 4.098 4.350 -0.001 0.000 0.270 412 T C 1.744 176.464 174.700 0.033 0.000 1.064 412 T CA 1.723 63.905 62.100 0.137 0.000 1.131 412 T CB -0.292 68.751 68.868 0.293 0.000 0.858 412 T HN 0.133 nan 8.240 nan 0.000 0.483 413 K N 0.708 121.101 120.400 -0.011 0.000 2.103 413 K HA -0.016 4.303 4.320 -0.001 0.000 0.207 413 K C 1.197 177.566 176.600 -0.385 0.000 1.048 413 K CA 1.533 57.697 56.287 -0.205 0.000 0.930 413 K CB -0.363 31.985 32.500 -0.254 0.000 0.716 413 K HN 0.434 nan 8.250 nan 0.000 0.444 414 F N -0.910 118.980 119.950 -0.100 0.000 2.724 414 F HA 0.378 4.905 4.527 -0.001 0.000 0.306 414 F C 1.374 177.058 175.800 -0.193 0.000 1.100 414 F CA -0.142 57.754 58.000 -0.173 0.000 1.255 414 F CB 0.180 38.986 39.000 -0.322 0.000 1.072 414 F HN 0.022 nan 8.300 nan 0.000 0.589 415 G N -0.168 108.581 108.800 -0.084 0.000 2.588 415 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.278 415 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.278 415 G C 0.304 175.255 174.900 0.086 0.000 1.307 415 G CA -0.387 44.677 45.100 -0.059 0.000 1.016 415 G HN 0.245 nan 8.290 nan 0.000 0.503 416 N N -0.484 118.320 118.700 0.172 0.000 2.234 416 N HA 0.281 5.020 4.740 -0.001 0.000 0.227 416 N C 0.262 175.857 175.510 0.141 0.000 1.151 416 N CA 0.459 53.585 53.050 0.126 0.000 0.865 416 N CB 0.363 38.915 38.487 0.108 0.000 1.066 416 N HN 0.869 nan 8.380 nan 0.000 0.515 417 G N 0.470 109.371 108.800 0.168 0.000 2.196 417 G HA2 0.004 3.964 3.960 -0.001 0.000 0.215 417 G HA3 0.004 3.964 3.960 -0.001 0.000 0.215 417 G C -1.298 173.663 174.900 0.103 0.000 1.640 417 G CA -0.756 44.409 45.100 0.107 0.000 0.946 417 G HN 0.019 nan 8.290 nan 0.000 0.710 418 T N 1.678 116.172 114.554 -0.100 0.000 2.848 418 T HA 0.675 5.025 4.350 -0.001 0.000 0.285 418 T C -1.230 173.201 174.700 -0.449 0.000 0.995 418 T CA -0.342 61.685 62.100 -0.121 0.000 0.970 418 T CB 1.285 70.172 68.868 0.032 0.000 0.976 418 T HN 0.428 nan 8.240 nan 0.000 0.441 419 Y N 2.087 122.294 120.300 -0.154 0.000 2.338 419 Y HA 0.661 5.211 4.550 -0.001 0.000 0.333 419 Y C -0.468 175.463 175.900 0.052 0.000 0.968 419 Y CA -1.146 56.800 58.100 -0.256 0.000 1.123 419 Y CB 1.531 39.331 38.460 -1.101 0.000 1.165 419 Y HN 0.451 nan 8.280 nan 0.000 0.452 420 L N 5.958 127.549 121.223 0.613 0.000 2.341 420 L HA 0.632 4.972 4.340 -0.001 0.000 0.278 420 L C -1.275 176.055 176.870 0.768 0.000 1.005 420 L CA -0.915 54.226 54.840 0.501 0.000 0.818 420 L CB 0.758 42.959 42.059 0.237 0.000 1.259 420 L HN 0.538 nan 8.230 nan 0.000 0.418 421 Y N 3.208 123.834 120.300 0.543 0.000 2.602 421 Y HA 0.737 5.287 4.550 -0.001 0.000 0.342 421 Y C -1.699 174.482 175.900 0.468 0.000 1.029 421 Y CA -1.979 56.377 58.100 0.427 0.000 1.080 421 Y CB 1.300 39.950 38.460 0.317 0.000 1.284 421 Y HN 0.537 nan 8.280 nan 0.000 0.485 422 F N 4.172 124.458 119.950 0.561 0.000 2.500 422 F HA 0.469 4.996 4.527 -0.001 0.000 0.349 422 F C -1.906 174.211 175.800 0.529 0.000 1.127 422 F CA -1.883 56.379 58.000 0.437 0.000 0.998 422 F CB 0.712 39.960 39.000 0.414 0.000 1.237 422 F HN 0.562 nan 8.300 nan 0.000 0.439 423 F N 8.163 128.202 119.950 0.149 0.000 2.421 423 F HA 0.314 4.841 4.527 -0.001 0.000 0.358 423 F C 0.179 175.841 175.800 -0.230 0.000 1.115 423 F CA -0.334 57.693 58.000 0.045 0.000 1.160 423 F CB 0.574 39.675 39.000 0.167 0.000 1.123 423 F HN 0.550 nan 8.300 nan 0.000 0.508 424 N N 3.452 121.749 118.700 -0.672 0.000 2.451 424 N HA 0.074 4.814 4.740 -0.001 0.000 0.271 424 N C -1.229 174.002 175.510 -0.465 0.000 1.410 424 N CA -0.478 52.271 53.050 -0.501 0.000 0.884 424 N CB -0.720 37.634 38.487 -0.221 0.000 1.332 424 N HN 0.648 nan 8.380 nan 0.000 0.498 425 H N 0.633 119.117 119.070 -0.977 0.000 2.488 425 H HA 0.517 5.072 4.556 -0.001 0.000 0.322 425 H C -0.361 174.790 175.328 -0.296 0.000 1.078 425 H CA -0.614 55.077 56.048 -0.595 0.000 1.260 425 H CB 1.026 30.377 29.762 -0.685 0.000 1.425 425 H HN 0.102 nan 8.280 nan 0.000 0.471 426 R N 4.201 124.303 120.500 -0.664 0.000 2.210 426 R HA 0.474 4.813 4.340 -0.001 0.000 0.338 426 R C -0.816 175.210 176.300 -0.457 0.000 1.062 426 R CA -0.251 55.634 56.100 -0.358 0.000 0.902 426 R CB 0.001 30.163 30.300 -0.230 0.000 1.050 426 R HN 0.733 nan 8.270 nan 0.000 0.461 427 A N 3.566 126.403 122.820 0.029 0.000 2.546 427 A HA 0.101 4.421 4.320 -0.001 0.000 0.243 427 A C 1.254 178.900 177.584 0.102 0.000 1.063 427 A CA 0.476 52.697 52.037 0.307 0.000 0.757 427 A CB 0.045 19.372 19.000 0.544 0.000 0.991 427 A HN 1.069 nan 8.150 nan 0.000 0.503 428 S N 1.800 117.592 115.700 0.154 0.000 2.419 428 S HA -0.191 4.279 4.470 -0.001 0.000 0.235 428 S C 0.910 175.483 174.600 -0.046 0.000 1.019 428 S CA 1.328 59.556 58.200 0.047 0.000 0.982 428 S CB -0.448 62.807 63.200 0.092 0.000 0.789 428 S HN 0.942 nan 8.310 nan 0.000 0.490 429 N N 0.690 119.315 118.700 -0.125 0.000 2.273 429 N HA 0.227 4.966 4.740 -0.001 0.000 0.231 429 N C -0.119 175.287 175.510 -0.173 0.000 1.134 429 N CA -0.374 52.552 53.050 -0.208 0.000 0.856 429 N CB -0.481 37.764 38.487 -0.403 0.000 1.068 429 N HN 0.386 nan 8.380 nan 0.000 0.510 430 L N 1.587 122.753 121.223 -0.095 0.000 2.499 430 L HA 0.007 4.346 4.340 -0.001 0.000 0.273 430 L C 1.395 178.183 176.870 -0.135 0.000 1.195 430 L CA -0.071 54.714 54.840 -0.091 0.000 0.882 430 L CB 1.067 43.088 42.059 -0.064 0.000 1.133 430 L HN 0.143 nan 8.230 nan 0.000 0.483 431 V N 0.416 120.196 119.914 -0.223 0.000 3.506 431 V HA 0.033 4.153 4.120 -0.001 0.000 0.263 431 V C 0.622 176.643 176.094 -0.121 0.000 1.203 431 V CA -0.442 61.712 62.300 -0.243 0.000 1.133 431 V CB -0.846 30.690 31.823 -0.478 0.000 0.802 431 V HN 0.612 nan 8.190 nan 0.000 0.459 432 W N 1.897 123.128 121.300 -0.114 0.000 2.161 432 W HA 0.488 5.148 4.660 -0.001 0.000 0.344 432 W C -1.673 174.694 176.519 -0.252 0.000 1.262 432 W CA -2.044 55.194 57.345 -0.179 0.000 1.270 432 W CB 0.022 29.233 29.460 -0.415 0.000 1.126 432 W HN 0.002 nan 8.180 nan 0.000 0.598 433 P HA -0.030 nan 4.420 nan 0.000 0.272 433 P C 0.212 177.398 177.300 -0.190 0.000 1.230 433 P CA 0.167 63.197 63.100 -0.116 0.000 0.788 433 P CB 1.188 32.832 31.700 -0.093 0.000 0.949 434 E N 1.424 121.592 120.200 -0.053 0.000 2.130 434 E HA -0.174 4.176 4.350 -0.001 0.000 0.196 434 E C 1.750 178.365 176.600 0.026 0.000 0.998 434 E CA 1.676 58.069 56.400 -0.010 0.000 0.806 434 E CB -0.787 28.943 29.700 0.050 0.000 0.738 434 E HN 0.638 nan 8.360 nan 0.000 0.459 435 W N -0.501 120.823 121.300 0.040 0.000 2.421 435 W HA -0.147 4.513 4.660 -0.001 0.000 0.270 435 W C 1.301 177.859 176.519 0.066 0.000 1.233 435 W CA 0.621 58.002 57.345 0.060 0.000 1.226 435 W CB -0.770 28.735 29.460 0.075 0.000 1.121 435 W HN 0.058 nan 8.180 nan 0.000 0.579 436 M N 1.263 120.520 119.600 -0.572 0.000 2.492 436 M HA 0.119 4.599 4.480 -0.001 0.000 0.262 436 M C 1.814 177.979 176.300 -0.225 0.000 1.090 436 M CA 1.551 56.465 55.300 -0.643 0.000 1.110 436 M CB -0.660 31.326 32.600 -1.022 0.000 1.407 436 M HN 0.187 nan 8.290 nan 0.000 0.470 437 G N 0.587 109.311 108.800 -0.127 0.000 2.583 437 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.292 437 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.292 437 G C -0.149 174.722 174.900 -0.049 0.000 1.203 437 G CA -0.175 44.900 45.100 -0.041 0.000 0.987 437 G HN 0.215 nan 8.290 nan 0.000 0.554 438 V N 2.032 121.957 119.914 0.017 0.000 2.284 438 V HA 0.415 4.534 4.120 -0.001 0.000 0.260 438 V C 1.002 177.196 176.094 0.168 0.000 1.084 438 V CA -0.164 62.193 62.300 0.095 0.000 0.894 438 V CB 0.233 32.093 31.823 0.061 0.000 1.119 438 V HN 0.528 nan 8.190 nan 0.000 0.484 439 I N 2.934 123.590 120.570 0.143 0.000 2.696 439 I HA 0.121 4.290 4.170 -0.001 0.000 0.284 439 I C 0.914 177.312 176.117 0.468 0.000 1.129 439 I CA -0.440 60.965 61.300 0.175 0.000 1.410 439 I CB 0.218 38.110 38.000 -0.180 0.000 1.399 439 I HN 0.549 nan 8.210 nan 0.000 0.579 440 H N 4.263 123.533 119.070 0.334 0.000 3.157 440 H HA 0.143 4.699 4.556 -0.001 0.000 0.299 440 H C 0.969 176.506 175.328 0.349 0.000 0.961 440 H CA 1.039 57.296 56.048 0.349 0.000 1.428 440 H CB 0.111 30.108 29.762 0.390 0.000 1.459 440 H HN 0.753 nan 8.280 nan 0.000 0.566 441 G N 3.650 112.473 108.800 0.038 0.000 2.213 441 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.236 441 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.236 441 G C 0.644 175.571 174.900 0.046 0.000 0.991 441 G CA 0.344 45.432 45.100 -0.021 0.000 0.629 441 G HN 0.627 nan 8.290 nan 0.000 0.517 442 Y N 1.591 122.090 120.300 0.331 0.000 2.462 442 Y HA 0.235 4.785 4.550 -0.001 0.000 0.293 442 Y C 2.323 178.393 175.900 0.283 0.000 1.195 442 Y CA 1.014 59.333 58.100 0.364 0.000 1.276 442 Y CB 0.417 39.103 38.460 0.378 0.000 1.082 442 Y HN 0.509 nan 8.280 nan 0.000 0.514 443 E N 0.068 120.273 120.200 0.007 0.000 2.400 443 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 443 E C 1.618 178.160 176.600 -0.097 0.000 1.012 443 E CA 0.584 56.668 56.400 -0.527 0.000 0.875 443 E CB -0.398 28.657 29.700 -1.075 0.000 0.859 443 E HN 0.528 nan 8.360 nan 0.000 0.498 444 I N 2.797 123.406 120.570 0.064 0.000 2.163 444 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 444 I C 2.682 178.847 176.117 0.081 0.000 1.085 444 I CA 2.113 63.499 61.300 0.143 0.000 1.347 444 I CB -0.489 37.660 38.000 0.248 0.000 1.044 444 I HN 0.220 nan 8.210 nan 0.000 0.408 445 E N 0.978 121.170 120.200 -0.014 0.000 2.209 445 E HA -0.247 4.102 4.350 -0.001 0.000 0.196 445 E C 2.023 178.433 176.600 -0.317 0.000 0.993 445 E CA 1.549 57.852 56.400 -0.163 0.000 0.819 445 E CB -0.535 29.067 29.700 -0.163 0.000 0.745 445 E HN 0.451 nan 8.360 nan 0.000 0.477 446 F N 1.068 120.918 119.950 -0.166 0.000 2.234 446 F HA -0.030 4.496 4.527 -0.001 0.000 0.296 446 F C 2.392 178.008 175.800 -0.307 0.000 1.089 446 F CA 0.593 58.448 58.000 -0.241 0.000 1.343 446 F CB -0.098 38.787 39.000 -0.191 0.000 1.040 446 F HN -0.134 nan 8.300 nan 0.000 0.498 447 V N -1.066 118.748 119.914 -0.166 0.000 2.427 447 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 447 V C 1.605 177.502 176.094 -0.329 0.000 1.051 447 V CA 1.573 63.641 62.300 -0.386 0.000 1.048 447 V CB -0.625 31.007 31.823 -0.318 0.000 0.666 447 V HN 0.205 nan 8.190 nan 0.000 0.456 448 F N 0.417 120.219 119.950 -0.248 0.000 2.732 448 F HA 0.411 4.938 4.527 -0.001 0.000 0.303 448 F C 1.783 177.473 175.800 -0.185 0.000 1.110 448 F CA 0.574 58.455 58.000 -0.199 0.000 1.355 448 F CB -0.211 38.655 39.000 -0.222 0.000 1.081 448 F HN 0.253 nan 8.300 nan 0.000 0.565 449 G N 0.292 108.990 108.800 -0.170 0.000 2.176 449 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.252 449 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.252 449 G C 1.114 175.680 174.900 -0.557 0.000 1.024 449 G CA 0.324 45.248 45.100 -0.294 0.000 0.755 449 G HN 0.251 nan 8.290 nan 0.000 0.507 450 L N -0.220 120.650 121.223 -0.589 0.000 2.131 450 L HA -0.032 4.308 4.340 -0.001 0.000 0.210 450 L C 0.225 176.656 176.870 -0.733 0.000 1.092 450 L CA 2.471 56.915 54.840 -0.660 0.000 0.759 450 L CB -1.850 39.943 42.059 -0.443 0.000 0.903 450 L HN 0.194 nan 8.230 nan 0.000 0.435 451 P HA -0.092 nan 4.420 nan 0.000 0.230 451 P C 1.993 179.040 177.300 -0.422 0.000 1.158 451 P CA 0.791 63.292 63.100 -0.998 0.000 0.769 451 P CB 0.102 31.114 31.700 -1.147 0.000 0.807 452 L N -1.199 119.780 121.223 -0.405 0.000 2.395 452 L HA 0.014 4.354 4.340 -0.001 0.000 0.218 452 L C 1.015 177.759 176.870 -0.210 0.000 1.130 452 L CA 0.319 55.009 54.840 -0.251 0.000 0.826 452 L CB -0.155 41.777 42.059 -0.213 0.000 0.941 452 L HN -0.078 nan 8.230 nan 0.000 0.451 453 V N -1.368 118.379 119.914 -0.279 0.000 2.368 453 V HA 0.175 4.295 4.120 -0.001 0.000 0.266 453 V C 1.257 177.307 176.094 -0.073 0.000 1.045 453 V CA -0.752 61.450 62.300 -0.164 0.000 0.899 453 V CB 1.205 32.915 31.823 -0.187 0.000 1.006 453 V HN 0.105 nan 8.190 nan 0.000 0.470 454 K N 4.405 124.778 120.400 -0.045 0.000 2.059 454 K HA -0.216 4.104 4.320 -0.001 0.000 0.212 454 K C 1.641 178.230 176.600 -0.017 0.000 1.050 454 K CA 2.279 58.554 56.287 -0.019 0.000 0.927 454 K CB -0.341 32.148 32.500 -0.019 0.000 0.714 454 K HN 0.934 nan 8.250 nan 0.000 0.447 455 E N 0.726 120.909 120.200 -0.029 0.000 2.396 455 E HA -0.101 4.248 4.350 -0.001 0.000 0.200 455 E C 1.622 178.194 176.600 -0.047 0.000 1.023 455 E CA 0.497 56.875 56.400 -0.037 0.000 0.857 455 E CB -0.268 29.410 29.700 -0.038 0.000 0.775 455 E HN 0.253 nan 8.360 nan 0.000 0.525 456 L N 0.392 121.599 121.223 -0.026 0.000 2.591 456 L HA 0.076 4.416 4.340 -0.001 0.000 0.228 456 L C -0.116 176.675 176.870 -0.131 0.000 1.133 456 L CA -0.097 54.719 54.840 -0.040 0.000 0.880 456 L CB -0.298 41.809 42.059 0.081 0.000 1.033 456 L HN 0.147 nan 8.230 nan 0.000 0.450 457 N N -1.338 117.317 118.700 -0.076 0.000 2.776 457 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 457 N C -0.605 174.809 175.510 -0.160 0.000 1.111 457 N CA 0.844 53.822 53.050 -0.121 0.000 0.711 457 N CB -1.790 36.593 38.487 -0.174 0.000 1.065 457 N HN 0.290 nan 8.380 nan 0.000 0.556 458 Y N 0.368 120.631 120.300 -0.061 0.000 2.392 458 Y HA 0.408 4.958 4.550 -0.001 0.000 0.323 458 Y C 1.834 177.732 175.900 -0.003 0.000 1.291 458 Y CA -0.131 57.953 58.100 -0.027 0.000 1.345 458 Y CB 0.578 38.995 38.460 -0.071 0.000 1.320 458 Y HN 0.080 nan 8.280 nan 0.000 0.518 459 T N -2.061 112.622 114.554 0.215 0.000 2.847 459 T HA 0.459 4.808 4.350 -0.001 0.000 0.279 459 T C 1.137 175.897 174.700 0.101 0.000 0.984 459 T CA -0.276 61.900 62.100 0.127 0.000 0.988 459 T CB 1.237 70.179 68.868 0.124 0.000 1.040 459 T HN 0.750 nan 8.240 nan 0.000 0.528 460 A N 0.917 123.772 122.820 0.058 0.000 1.972 460 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 460 A C 2.281 179.881 177.584 0.027 0.000 1.169 460 A CA 1.280 53.336 52.037 0.032 0.000 0.635 460 A CB -0.735 18.276 19.000 0.019 0.000 0.810 460 A HN 0.934 nan 8.150 nan 0.000 0.446 461 E N 0.551 120.771 120.200 0.035 0.000 2.208 461 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 461 E C 1.400 178.001 176.600 0.003 0.000 0.988 461 E CA 1.198 57.603 56.400 0.009 0.000 0.828 461 E CB -0.500 29.201 29.700 0.003 0.000 0.763 461 E HN 0.792 nan 8.360 nan 0.000 0.478 462 E N 1.072 121.318 120.200 0.076 0.000 2.112 462 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 462 E C 2.084 178.755 176.600 0.117 0.000 0.979 462 E CA 0.829 57.348 56.400 0.197 0.000 0.814 462 E CB 0.018 29.964 29.700 0.410 0.000 0.762 462 E HN 0.412 nan 8.360 nan 0.000 0.460 463 E N 1.038 121.245 120.200 0.011 0.000 2.077 463 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 463 E C 2.005 178.579 176.600 -0.043 0.000 0.989 463 E CA 1.057 57.415 56.400 -0.070 0.000 0.800 463 E CB -0.050 29.614 29.700 -0.060 0.000 0.746 463 E HN 0.188 nan 8.360 nan 0.000 0.452 464 A N 1.136 123.943 122.820 -0.022 0.000 1.930 464 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 464 A C 2.152 179.715 177.584 -0.036 0.000 1.175 464 A CA 1.241 53.257 52.037 -0.035 0.000 0.627 464 A CB -0.643 18.338 19.000 -0.032 0.000 0.815 464 A HN 0.409 nan 8.150 nan 0.000 0.443 465 L N -0.128 121.088 121.223 -0.013 0.000 2.046 465 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 465 L C 2.538 179.438 176.870 0.050 0.000 1.077 465 L CA 2.644 57.474 54.840 -0.018 0.000 0.747 465 L CB -0.950 41.047 42.059 -0.103 0.000 0.896 465 L HN 0.334 nan 8.230 nan 0.000 0.432 466 S N -0.715 115.074 115.700 0.148 0.000 2.359 466 S HA -0.219 4.251 4.470 -0.001 0.000 0.224 466 S C 2.196 176.756 174.600 -0.067 0.000 1.035 466 S CA 1.463 59.700 58.200 0.061 0.000 1.018 466 S CB -0.230 62.890 63.200 -0.134 0.000 0.876 466 S HN 0.548 nan 8.310 nan 0.000 0.448 467 R N 0.735 121.190 120.500 -0.075 0.000 2.081 467 R HA -0.059 4.280 4.340 -0.001 0.000 0.235 467 R C 2.658 178.900 176.300 -0.097 0.000 1.131 467 R CA 1.742 57.791 56.100 -0.084 0.000 0.960 467 R CB -0.307 29.943 30.300 -0.083 0.000 0.856 467 R HN 0.588 nan 8.270 nan 0.000 0.436 468 R N 0.284 120.701 120.500 -0.139 0.000 2.115 468 R HA -0.023 4.316 4.340 -0.001 0.000 0.226 468 R C 2.064 178.158 176.300 -0.343 0.000 1.100 468 R CA 1.172 57.104 56.100 -0.280 0.000 0.980 468 R CB -0.514 29.574 30.300 -0.353 0.000 0.875 468 R HN 0.205 nan 8.270 nan 0.000 0.445 469 I N 1.517 121.991 120.570 -0.159 0.000 2.202 469 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 469 I C 2.625 178.665 176.117 -0.128 0.000 1.091 469 I CA 1.472 62.704 61.300 -0.114 0.000 1.368 469 I CB -0.204 37.599 38.000 -0.329 0.000 1.058 469 I HN 0.138 nan 8.210 nan 0.000 0.410 470 M N -0.606 118.893 119.600 -0.167 0.000 2.149 470 M HA -0.271 4.209 4.480 -0.001 0.000 0.261 470 M C 2.401 178.746 176.300 0.075 0.000 1.064 470 M CA 1.785 57.023 55.300 -0.102 0.000 1.102 470 M CB -0.797 31.742 32.600 -0.102 0.000 1.369 470 M HN 0.288 nan 8.290 nan 0.000 0.408 471 H N -0.340 118.716 119.070 -0.024 0.000 2.395 471 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 471 H C 1.564 176.999 175.328 0.179 0.000 1.070 471 H CA 1.754 57.812 56.048 0.017 0.000 1.356 471 H CB -0.021 29.700 29.762 -0.069 0.000 1.401 471 H HN 0.261 nan 8.280 nan 0.000 0.524 472 Y N -0.791 119.629 120.300 0.200 0.000 2.145 472 Y HA -0.249 4.300 4.550 -0.001 0.000 0.286 472 Y C 2.561 178.643 175.900 0.304 0.000 1.145 472 Y CA 1.100 59.367 58.100 0.279 0.000 1.148 472 Y CB -1.066 37.775 38.460 0.635 0.000 0.981 472 Y HN 0.357 nan 8.280 nan 0.000 0.507 473 W N -0.514 120.882 121.300 0.159 0.000 2.355 473 W HA -0.230 4.429 4.660 -0.000 0.000 0.309 473 W C 2.563 179.072 176.519 -0.016 0.000 1.206 473 W CA 1.107 58.473 57.345 0.036 0.000 1.284 473 W CB -0.441 28.980 29.460 -0.064 0.000 1.145 473 W HN 0.057 nan 8.180 nan 0.000 0.502 474 A N -0.212 122.704 122.820 0.161 0.000 1.929 474 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 474 A C 1.804 179.367 177.584 -0.034 0.000 1.176 474 A CA 2.029 54.080 52.037 0.023 0.000 0.628 474 A CB -1.089 17.916 19.000 0.008 0.000 0.816 474 A HN 0.184 nan 8.150 nan 0.000 0.444 475 T N -0.810 113.683 114.554 -0.102 0.000 2.821 475 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 475 T C 1.584 176.239 174.700 -0.076 0.000 1.046 475 T CA 1.439 63.450 62.100 -0.147 0.000 1.139 475 T CB -0.354 68.361 68.868 -0.254 0.000 0.871 475 T HN 0.514 nan 8.240 nan 0.000 0.454 476 F N 2.325 122.174 119.950 -0.168 0.000 2.146 476 F HA 0.083 4.610 4.527 -0.001 0.000 0.298 476 F C 2.406 178.121 175.800 -0.142 0.000 1.096 476 F CA 0.895 58.764 58.000 -0.219 0.000 1.275 476 F CB -0.595 38.212 39.000 -0.321 0.000 1.008 476 F HN 0.129 nan 8.300 nan 0.000 0.480 477 A N 0.373 123.132 122.820 -0.101 0.000 1.908 477 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 477 A C 2.319 179.776 177.584 -0.212 0.000 1.181 477 A CA 1.984 53.917 52.037 -0.173 0.000 0.627 477 A CB -0.857 18.111 19.000 -0.052 0.000 0.818 477 A HN 0.509 nan 8.150 nan 0.000 0.445 478 K N -0.923 119.383 120.400 -0.155 0.000 2.103 478 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 478 K C 1.754 178.265 176.600 -0.149 0.000 1.052 478 K CA 1.839 58.054 56.287 -0.119 0.000 0.945 478 K CB -0.073 32.383 32.500 -0.073 0.000 0.722 478 K HN 0.614 nan 8.250 nan 0.000 0.443 479 T N -4.942 109.492 114.554 -0.200 0.000 2.975 479 T HA 0.259 4.608 4.350 -0.001 0.000 0.257 479 T C 1.085 175.639 174.700 -0.242 0.000 1.003 479 T CA 0.404 62.398 62.100 -0.176 0.000 0.932 479 T CB 0.941 69.743 68.868 -0.110 0.000 1.087 479 T HN 0.309 nan 8.240 nan 0.000 0.512 480 G N 1.561 110.065 108.800 -0.493 0.000 2.141 480 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.242 480 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.242 480 G C -0.187 174.600 174.900 -0.189 0.000 0.982 480 G CA 0.039 44.799 45.100 -0.566 0.000 0.662 480 G HN 0.876 nan 8.290 nan 0.000 0.527 481 N N -0.445 118.154 118.700 -0.169 0.000 2.503 481 N HA 0.401 5.141 4.740 -0.001 0.000 0.287 481 N C -1.657 173.698 175.510 -0.257 0.000 1.096 481 N CA -1.344 51.574 53.050 -0.220 0.000 0.936 481 N CB 2.293 40.736 38.487 -0.072 0.000 1.570 481 N HN -0.068 nan 8.380 nan 0.000 0.504 482 P HA -0.049 nan 4.420 nan 0.000 0.226 482 P C -0.443 176.867 177.300 0.017 0.000 1.153 482 P CA 0.625 63.587 63.100 -0.230 0.000 0.777 482 P CB 0.301 31.654 31.700 -0.579 0.000 0.794 483 N N 1.568 120.238 118.700 -0.049 0.000 2.514 483 N HA 0.080 4.820 4.740 -0.001 0.000 0.277 483 N C 0.096 175.662 175.510 0.093 0.000 1.126 483 N CA -0.020 53.099 53.050 0.115 0.000 0.978 483 N CB 0.690 39.244 38.487 0.111 0.000 1.106 483 N HN 0.023 nan 8.380 nan 0.000 0.461 484 E N 3.296 123.585 120.200 0.148 0.000 2.299 484 E HA 0.134 4.484 4.350 -0.001 0.000 0.272 484 E C -1.751 174.909 176.600 0.101 0.000 1.043 484 E CA -1.249 55.229 56.400 0.130 0.000 0.895 484 E CB 0.338 30.150 29.700 0.186 0.000 1.011 484 E HN 0.355 nan 8.360 nan 0.000 0.432 490 S N 3.069 118.841 115.700 0.121 0.000 2.575 490 S HA 0.021 4.491 4.470 -0.001 0.000 0.295 490 S C -0.172 174.544 174.600 0.193 0.000 1.267 490 S CA 0.102 58.382 58.200 0.133 0.000 1.074 490 S CB 0.149 63.419 63.200 0.117 0.000 0.829 490 S HN 0.186 nan 8.310 nan 0.000 0.497 491 K N 2.531 123.037 120.400 0.177 0.000 2.227 491 K HA 0.143 4.463 4.320 -0.001 0.000 0.280 491 K C -0.348 176.421 176.600 0.281 0.000 1.041 491 K CA -0.509 55.914 56.287 0.226 0.000 0.905 491 K CB 0.619 33.230 32.500 0.185 0.000 1.068 491 K HN 0.711 nan 8.250 nan 0.000 0.470 492 W N 7.489 128.845 121.300 0.093 0.000 2.485 492 W HA 0.167 4.826 4.660 -0.001 0.000 0.315 492 W C -2.307 174.336 176.519 0.207 0.000 1.304 492 W CA -2.465 54.931 57.345 0.085 0.000 1.345 492 W CB -0.035 29.376 29.460 -0.082 0.000 1.368 492 W HN 0.394 nan 8.180 nan 0.000 0.497 493 P HA 0.046 nan 4.420 nan 0.000 0.276 493 P C -0.559 176.953 177.300 0.354 0.000 1.244 493 P CA -0.563 62.767 63.100 0.383 0.000 0.801 493 P CB 1.550 33.388 31.700 0.229 0.000 1.006 494 L N 2.693 123.986 121.223 0.117 0.000 2.453 494 L HA 0.189 4.529 4.340 -0.001 0.000 0.272 494 L C -0.061 176.789 176.870 -0.035 0.000 1.182 494 L CA -0.198 54.506 54.840 -0.226 0.000 0.858 494 L CB -0.808 41.148 42.059 -0.172 0.000 1.120 494 L HN 0.225 nan 8.230 nan 0.000 0.474 495 F N 4.612 124.455 119.950 -0.180 0.000 2.445 495 F HA 0.486 5.012 4.527 -0.001 0.000 0.359 495 F C 0.294 176.064 175.800 -0.050 0.000 1.101 495 F CA -0.198 57.790 58.000 -0.020 0.000 1.177 495 F CB 0.498 39.511 39.000 0.021 0.000 1.110 495 F HN 0.657 nan 8.300 nan 0.000 0.522 496 T N 1.241 115.526 114.554 -0.449 0.000 2.924 496 T HA 0.277 4.627 4.350 -0.001 0.000 0.291 496 T C 0.909 175.356 174.700 -0.422 0.000 1.045 496 T CA -0.432 61.507 62.100 -0.269 0.000 1.015 496 T CB 1.492 70.262 68.868 -0.163 0.000 1.103 496 T HN 0.522 nan 8.240 nan 0.000 0.496 497 T N 0.938 115.390 114.554 -0.171 0.000 2.720 497 T HA -0.092 4.258 4.350 -0.001 0.000 0.268 497 T C 1.727 176.337 174.700 -0.152 0.000 1.037 497 T CA 1.592 63.622 62.100 -0.116 0.000 1.144 497 T CB -0.283 68.554 68.868 -0.052 0.000 0.864 497 T HN 0.641 nan 8.240 nan 0.000 0.444 498 K N 0.348 120.663 120.400 -0.141 0.000 2.044 498 K HA 0.010 4.330 4.320 -0.001 0.000 0.204 498 K C 2.400 178.924 176.600 -0.128 0.000 1.049 498 K CA 0.977 57.200 56.287 -0.107 0.000 0.945 498 K CB 0.009 32.463 32.500 -0.077 0.000 0.724 498 K HN 0.094 nan 8.250 nan 0.000 0.440 499 E N 0.563 120.658 120.200 -0.176 0.000 2.216 499 E HA 0.009 4.359 4.350 -0.001 0.000 0.192 499 E C -0.296 176.174 176.600 -0.216 0.000 0.973 499 E CA 0.270 56.578 56.400 -0.153 0.000 0.851 499 E CB 0.288 29.917 29.700 -0.119 0.000 0.804 499 E HN 0.116 nan 8.360 nan 0.000 0.477 500 Q N 0.248 119.741 119.800 -0.512 0.000 2.453 500 Q HA -0.235 4.104 4.340 -0.001 0.000 0.294 500 Q C -0.793 175.132 176.000 -0.125 0.000 1.295 500 Q CA 0.624 55.971 55.803 -0.761 0.000 0.853 500 Q CB -1.491 27.080 28.738 -0.279 0.000 1.193 500 Q HN 0.167 nan 8.270 nan 0.000 0.461 501 K N 0.524 120.890 120.400 -0.056 0.000 2.202 501 K HA 0.573 4.893 4.320 -0.001 0.000 0.264 501 K C 0.036 176.956 176.600 0.534 0.000 1.010 501 K CA 0.115 56.521 56.287 0.199 0.000 0.940 501 K CB 0.507 33.066 32.500 0.098 0.000 0.983 501 K HN 0.220 nan 8.250 nan 0.000 0.475 502 F N -0.361 119.765 119.950 0.293 0.000 2.686 502 F HA 0.595 5.121 4.527 -0.001 0.000 0.311 502 F C -1.039 174.881 175.800 0.200 0.000 1.128 502 F CA -1.509 56.699 58.000 0.347 0.000 0.946 502 F CB 0.822 40.033 39.000 0.352 0.000 1.336 502 F HN 0.412 nan 8.300 nan 0.000 0.457 503 I N -0.664 120.033 120.570 0.212 0.000 2.797 503 I HA 0.645 4.815 4.170 -0.001 0.000 0.307 503 I C -1.138 175.110 176.117 0.218 0.000 1.033 503 I CA -0.879 60.381 61.300 -0.067 0.000 1.071 503 I CB 1.953 39.704 38.000 -0.414 0.000 1.255 503 I HN 0.447 nan 8.210 nan 0.000 0.445 504 D N 3.315 123.821 120.400 0.178 0.000 2.283 504 D HA 0.468 5.108 4.640 -0.001 0.000 0.248 504 D C -0.910 175.480 176.300 0.150 0.000 1.072 504 D CA 0.023 54.226 54.000 0.338 0.000 0.929 504 D CB 2.209 43.205 40.800 0.326 0.000 1.182 504 D HN 0.253 nan 8.370 nan 0.000 0.433 505 L N 3.000 124.320 121.223 0.163 0.000 2.345 505 L HA 0.316 4.656 4.340 -0.001 0.000 0.274 505 L C -0.693 176.123 176.870 -0.091 0.000 0.999 505 L CA -0.345 54.541 54.840 0.077 0.000 0.849 505 L CB 0.094 42.276 42.059 0.206 0.000 1.220 505 L HN 0.544 nan 8.230 nan 0.000 0.422 506 N N -0.144 118.496 118.700 -0.100 0.000 3.449 506 N HA 0.248 4.987 4.740 -0.001 0.000 0.312 506 N C 0.227 175.640 175.510 -0.161 0.000 1.557 506 N CA -0.054 52.879 53.050 -0.194 0.000 0.864 506 N CB 0.317 38.742 38.487 -0.103 0.000 1.799 506 N HN 0.089 nan 8.380 nan 0.000 0.554 507 T N -3.463 110.987 114.554 -0.174 0.000 3.148 507 T HA 0.154 4.503 4.350 -0.001 0.000 0.253 507 T C -0.142 174.533 174.700 -0.041 0.000 1.134 507 T CA 0.318 62.338 62.100 -0.134 0.000 1.051 507 T CB -0.422 68.353 68.868 -0.154 0.000 0.959 507 T HN 0.442 nan 8.240 nan 0.000 0.525 508 E N 2.039 122.231 120.200 -0.013 0.000 2.280 508 E HA 0.426 4.776 4.350 -0.001 0.000 0.264 508 E C -2.721 173.885 176.600 0.010 0.000 1.064 508 E CA -3.160 53.246 56.400 0.010 0.000 0.900 508 E CB -0.226 29.491 29.700 0.029 0.000 1.123 508 E HN 0.132 nan 8.360 nan 0.000 0.418 509 P HA 0.012 nan 4.420 nan 0.000 0.264 509 P C 0.096 177.403 177.300 0.010 0.000 1.193 509 P CA 0.200 63.309 63.100 0.015 0.000 0.763 509 P CB 0.321 32.029 31.700 0.014 0.000 0.810 510 M N 3.799 123.409 119.600 0.017 0.000 2.286 510 M HA -0.072 4.407 4.480 -0.001 0.000 0.365 510 M C -0.312 175.955 176.300 -0.054 0.000 1.443 510 M CA 1.258 56.555 55.300 -0.004 0.000 0.951 510 M CB -0.046 32.569 32.600 0.025 0.000 1.961 510 M HN 0.242 nan 8.290 nan 0.000 0.468 511 K N 4.089 124.420 120.400 -0.115 0.000 2.316 511 K HA 0.618 4.938 4.320 -0.001 0.000 0.251 511 K C -1.424 174.912 176.600 -0.439 0.000 0.934 511 K CA -0.945 55.187 56.287 -0.258 0.000 0.802 511 K CB 2.514 34.842 32.500 -0.287 0.000 1.171 511 K HN 0.480 nan 8.250 nan 0.000 0.426 512 V N 3.645 123.265 119.914 -0.491 0.000 2.483 512 V HA 0.369 4.489 4.120 -0.001 0.000 0.295 512 V C -0.187 175.470 176.094 -0.728 0.000 1.035 512 V CA -0.593 61.425 62.300 -0.470 0.000 0.896 512 V CB 1.279 32.980 31.823 -0.203 0.000 0.986 512 V HN 0.738 nan 8.190 nan 0.000 0.447 513 H N 2.831 121.557 119.070 -0.574 0.000 2.960 513 H HA 0.650 5.205 4.556 -0.001 0.000 0.303 513 H C -1.200 173.855 175.328 -0.455 0.000 1.412 513 H CA -0.859 54.841 56.048 -0.580 0.000 1.227 513 H CB 2.208 31.456 29.762 -0.857 0.000 1.912 513 H HN 0.556 nan 8.280 nan 0.000 0.583 514 Q N 0.236 120.065 119.800 0.049 0.000 2.421 514 Q HA 0.383 4.723 4.340 -0.001 0.000 0.280 514 Q C -0.679 175.564 176.000 0.405 0.000 1.085 514 Q CA -0.941 55.006 55.803 0.239 0.000 0.807 514 Q CB 3.004 31.802 28.738 0.100 0.000 1.405 514 Q HN 0.463 nan 8.270 nan 0.000 0.419 515 R N 0.874 121.605 120.500 0.385 0.000 3.146 515 R HA -0.200 4.140 4.340 -0.001 0.000 0.250 515 R C -0.555 175.884 176.300 0.231 0.000 0.912 515 R CA -0.152 56.110 56.100 0.269 0.000 0.633 515 R CB -1.545 28.854 30.300 0.166 0.000 1.180 515 R HN 0.484 nan 8.270 nan 0.000 0.464 516 L N 2.192 123.476 121.223 0.102 0.000 2.700 516 L HA -0.065 4.275 4.340 -0.001 0.000 0.276 516 L C 0.901 177.720 176.870 -0.084 0.000 1.200 516 L CA 0.877 55.536 54.840 -0.300 0.000 0.951 516 L CB -0.216 41.311 42.059 -0.888 0.000 1.226 516 L HN 0.442 nan 8.230 nan 0.000 0.489 517 R N 2.191 122.661 120.500 -0.051 0.000 3.301 517 R HA -0.204 4.136 4.340 -0.001 0.000 0.249 517 R C 1.228 177.584 176.300 0.094 0.000 0.964 517 R CA 0.588 56.709 56.100 0.034 0.000 0.653 517 R CB -1.969 28.370 30.300 0.064 0.000 1.043 517 R HN 0.749 nan 8.270 nan 0.000 0.454 518 V N -2.526 117.443 119.914 0.092 0.000 2.287 518 V HA -0.344 3.775 4.120 -0.001 0.000 0.248 518 V C 2.330 178.495 176.094 0.118 0.000 1.053 518 V CA 2.156 64.524 62.300 0.114 0.000 1.027 518 V CB -0.488 31.396 31.823 0.101 0.000 0.646 518 V HN 0.326 nan 8.190 nan 0.000 0.447 519 Q N -0.090 119.761 119.800 0.085 0.000 2.014 519 Q HA -0.196 4.144 4.340 -0.001 0.000 0.207 519 Q C 2.180 178.237 176.000 0.096 0.000 0.993 519 Q CA 2.306 58.145 55.803 0.059 0.000 0.850 519 Q CB -0.406 28.337 28.738 0.009 0.000 0.916 519 Q HN 0.531 nan 8.270 nan 0.000 0.417 520 M N -1.128 118.550 119.600 0.130 0.000 2.175 520 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 520 M C 2.364 178.946 176.300 0.469 0.000 1.063 520 M CA 0.904 56.355 55.300 0.252 0.000 1.119 520 M CB -1.182 31.619 32.600 0.336 0.000 1.377 520 M HN 0.332 nan 8.290 nan 0.000 0.415 521 c N -0.383 118.439 118.600 0.370 0.000 2.448 521 c HA -0.018 4.552 4.570 -0.001 0.000 0.280 521 c C 2.927 177.206 174.090 0.314 0.000 1.398 521 c CA 0.184 56.744 56.329 0.384 0.000 1.774 521 c CB -0.900 41.769 42.510 0.264 0.000 1.888 521 c HN 0.314 nan 8.230 nan 0.000 0.519 522 V N 0.516 120.577 119.914 0.245 0.000 2.427 522 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 522 V C 2.052 178.278 176.094 0.221 0.000 1.051 522 V CA 2.107 64.525 62.300 0.195 0.000 1.048 522 V CB -0.768 31.140 31.823 0.142 0.000 0.666 522 V HN 0.562 nan 8.190 nan 0.000 0.456 523 F N 0.013 120.006 119.950 0.071 0.000 2.075 523 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 523 F C 1.982 177.779 175.800 -0.005 0.000 1.113 523 F CA 1.836 59.832 58.000 -0.008 0.000 1.218 523 F CB -0.412 38.472 39.000 -0.194 0.000 0.984 523 F HN 0.172 nan 8.300 nan 0.000 0.472 524 W N 0.460 121.897 121.300 0.228 0.000 2.436 524 W HA -0.092 4.567 4.660 -0.001 0.000 0.284 524 W C 2.047 178.555 176.519 -0.019 0.000 1.225 524 W CA 0.844 58.232 57.345 0.071 0.000 1.271 524 W CB -0.464 29.147 29.460 0.252 0.000 1.114 524 W HN -0.026 nan 8.180 nan 0.000 0.559 525 N N -0.813 118.017 118.700 0.217 0.000 2.405 525 N HA -0.012 4.728 4.740 -0.001 0.000 0.175 525 N C 1.338 176.845 175.510 -0.006 0.000 1.051 525 N CA 0.910 53.993 53.050 0.056 0.000 0.899 525 N CB 0.007 38.535 38.487 0.069 0.000 1.000 525 N HN 0.370 nan 8.380 nan 0.000 0.451 526 Q N -1.315 118.505 119.800 0.032 0.000 2.631 526 Q HA 0.208 4.548 4.340 -0.001 0.000 0.220 526 Q C 1.177 177.180 176.000 0.004 0.000 0.819 526 Q CA -0.191 55.629 55.803 0.028 0.000 0.914 526 Q CB 0.056 28.846 28.738 0.086 0.000 1.248 526 Q HN 0.113 nan 8.270 nan 0.000 0.629 527 F N 2.050 121.913 119.950 -0.145 0.000 2.084 527 F HA -0.172 4.354 4.527 -0.001 0.000 0.296 527 F C 1.988 177.597 175.800 -0.319 0.000 1.111 527 F CA 1.048 58.928 58.000 -0.199 0.000 1.224 527 F CB -0.226 38.675 39.000 -0.165 0.000 0.991 527 F HN 0.049 nan 8.300 nan 0.000 0.471 528 L N 1.220 122.072 121.223 -0.618 0.000 2.012 528 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 528 L C -0.839 175.762 176.870 -0.447 0.000 1.073 528 L CA 2.228 56.631 54.840 -0.728 0.000 0.748 528 L CB -1.982 39.547 42.059 -0.883 0.000 0.891 528 L HN 0.010 nan 8.230 nan 0.000 0.431 529 P HA -0.199 nan 4.420 nan 0.000 0.216 529 P C 1.499 178.674 177.300 -0.207 0.000 1.150 529 P CA 1.575 64.575 63.100 -0.166 0.000 0.837 529 P CB -0.046 31.592 31.700 -0.104 0.000 0.786 530 K N -0.581 119.665 120.400 -0.258 0.000 2.057 530 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 530 K C 1.936 178.346 176.600 -0.317 0.000 1.049 530 K CA 1.035 57.178 56.287 -0.240 0.000 0.931 530 K CB -0.776 31.599 32.500 -0.209 0.000 0.714 530 K HN -0.067 nan 8.250 nan 0.000 0.440 531 L N 1.604 122.505 121.223 -0.537 0.000 1.989 531 L HA -0.172 4.168 4.340 -0.001 0.000 0.211 531 L C 1.880 178.583 176.870 -0.278 0.000 1.071 531 L CA 1.708 56.247 54.840 -0.500 0.000 0.749 531 L CB -0.674 40.938 42.059 -0.746 0.000 0.890 531 L HN 0.247 nan 8.230 nan 0.000 0.431 532 L N -0.451 120.624 121.223 -0.246 0.000 2.083 532 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 532 L C 2.311 179.117 176.870 -0.107 0.000 1.083 532 L CA 1.546 56.296 54.840 -0.150 0.000 0.752 532 L CB -0.714 41.279 42.059 -0.110 0.000 0.899 532 L HN 0.430 nan 8.230 nan 0.000 0.433 533 N N 0.064 118.696 118.700 -0.113 0.000 2.244 533 N HA -0.116 4.624 4.740 -0.001 0.000 0.183 533 N C 1.699 177.164 175.510 -0.075 0.000 1.016 533 N CA 1.254 54.256 53.050 -0.080 0.000 0.866 533 N CB 0.081 38.521 38.487 -0.078 0.000 0.980 533 N HN 0.279 nan 8.380 nan 0.000 0.430 534 A N -0.765 121.997 122.820 -0.096 0.000 1.935 534 A HA 0.083 4.403 4.320 -0.001 0.000 0.214 534 A C 1.336 178.882 177.584 -0.064 0.000 1.178 534 A CA 1.256 53.247 52.037 -0.076 0.000 0.640 534 A CB -0.798 18.150 19.000 -0.088 0.000 0.825 534 A HN 0.480 nan 8.150 nan 0.000 0.447 535 T N 0.000 114.508 114.554 -0.077 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 535 T CB 0.000 68.827 68.868 -0.068 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658