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 2btv_1_F DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 D N 0.560 120.915 120.400 -0.075 0.000 2.144 2 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 2 D C 1.693 177.897 176.300 -0.160 0.000 0.984 2 D CA 2.464 56.402 54.000 -0.103 0.000 0.834 2 D CB -0.446 40.293 40.800 -0.102 0.000 0.955 2 D HN 0.713 nan 8.370 nan 0.000 0.465 3 T N -0.177 114.268 114.554 -0.182 0.000 2.684 3 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 3 T C 2.280 176.870 174.700 -0.183 0.000 1.036 3 T CA 0.905 62.836 62.100 -0.281 0.000 1.148 3 T CB -0.730 68.046 68.868 -0.153 0.000 0.863 3 T HN 0.171 nan 8.240 nan 0.000 0.436 4 I N 2.196 122.717 120.570 -0.083 0.000 2.194 4 I HA -0.191 3.979 4.170 -0.000 0.000 0.246 4 I C 3.211 179.304 176.117 -0.041 0.000 1.093 4 I CA 1.400 62.681 61.300 -0.033 0.000 1.355 4 I CB -0.709 37.280 38.000 -0.018 0.000 1.046 4 I HN 0.356 nan 8.210 nan 0.000 0.413 5 A N 0.748 123.527 122.820 -0.068 0.000 1.855 5 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 5 A C 2.576 180.115 177.584 -0.075 0.000 1.191 5 A CA 1.791 53.790 52.037 -0.063 0.000 0.613 5 A CB -0.967 17.990 19.000 -0.071 0.000 0.829 5 A HN 0.420 nan 8.150 nan 0.000 0.442 6 A N -0.322 122.410 122.820 -0.146 0.000 1.940 6 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 6 A C 2.263 179.817 177.584 -0.050 0.000 1.176 6 A CA 1.660 53.594 52.037 -0.172 0.000 0.631 6 A CB -0.467 18.266 19.000 -0.445 0.000 0.814 6 A HN 0.568 nan 8.150 nan 0.000 0.446 7 R N -0.749 119.739 120.500 -0.019 0.000 2.061 7 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 7 R C 2.616 178.956 176.300 0.067 0.000 1.140 7 R CA 1.194 57.365 56.100 0.118 0.000 0.940 7 R CB -0.585 29.793 30.300 0.130 0.000 0.839 7 R HN 0.491 nan 8.270 nan 0.000 0.429 8 A N 1.556 124.394 122.820 0.029 0.000 1.903 8 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 8 A C 2.129 179.716 177.584 0.005 0.000 1.191 8 A CA 1.456 53.501 52.037 0.014 0.000 0.638 8 A CB -0.694 18.308 19.000 0.003 0.000 0.823 8 A HN 0.249 nan 8.150 nan 0.000 0.451 9 L N -0.223 121.003 121.223 0.005 0.000 1.971 9 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 9 L C 2.624 179.507 176.870 0.022 0.000 1.072 9 L CA 2.949 57.793 54.840 0.008 0.000 0.758 9 L CB -1.165 40.898 42.059 0.006 0.000 0.889 9 L HN 0.445 nan 8.230 nan 0.000 0.433 10 T N -0.954 113.630 114.554 0.049 0.000 2.653 10 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 10 T C 1.933 176.651 174.700 0.031 0.000 1.035 10 T CA 1.973 64.110 62.100 0.061 0.000 1.154 10 T CB -0.695 68.242 68.868 0.115 0.000 0.862 10 T HN 0.243 nan 8.240 nan 0.000 0.441 11 V N 1.521 121.448 119.914 0.022 0.000 2.255 11 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 11 V C 2.524 178.601 176.094 -0.029 0.000 1.051 11 V CA 1.988 64.283 62.300 -0.008 0.000 1.018 11 V CB -0.714 31.098 31.823 -0.019 0.000 0.641 11 V HN 0.482 nan 8.190 nan 0.000 0.445 12 M N -0.539 119.042 119.600 -0.031 0.000 2.086 12 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 12 M C 2.463 178.749 176.300 -0.023 0.000 1.067 12 M CA 1.889 57.164 55.300 -0.043 0.000 1.116 12 M CB -0.553 32.022 32.600 -0.042 0.000 1.348 12 M HN 0.216 nan 8.290 nan 0.000 0.407 13 R N 0.196 120.692 120.500 -0.006 0.000 2.159 13 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 13 R C 2.234 178.533 176.300 -0.002 0.000 1.131 13 R CA 1.328 57.430 56.100 0.002 0.000 0.982 13 R CB -0.538 29.771 30.300 0.015 0.000 0.868 13 R HN 0.396 nan 8.270 nan 0.000 0.453 14 A N 0.514 123.330 122.820 -0.007 0.000 1.930 14 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 14 A C 2.277 179.849 177.584 -0.020 0.000 1.176 14 A CA 0.872 52.903 52.037 -0.011 0.000 0.632 14 A CB -0.481 18.512 19.000 -0.012 0.000 0.819 14 A HN 0.411 nan 8.150 nan 0.000 0.445 15 C N -0.551 118.731 119.300 -0.030 0.000 2.419 15 C HA 0.101 4.561 4.460 -0.000 0.000 0.281 15 C C 3.106 178.082 174.990 -0.023 0.000 1.336 15 C CA 0.578 59.574 59.018 -0.036 0.000 1.770 15 C CB -1.349 26.359 27.740 -0.053 0.000 1.929 15 C HN 0.679 nan 8.230 nan 0.000 0.509 16 A N 0.373 123.184 122.820 -0.016 0.000 2.121 16 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 16 A C 2.046 179.623 177.584 -0.012 0.000 1.154 16 A CA 1.876 53.907 52.037 -0.010 0.000 0.679 16 A CB -0.724 18.273 19.000 -0.005 0.000 0.795 16 A HN 0.574 nan 8.150 nan 0.000 0.458 17 T N 0.442 114.988 114.554 -0.013 0.000 3.118 17 T HA 0.097 4.447 4.350 -0.000 0.000 0.260 17 T C 0.243 174.933 174.700 -0.016 0.000 1.139 17 T CA 0.264 62.356 62.100 -0.013 0.000 1.085 17 T CB -0.232 68.630 68.868 -0.011 0.000 0.934 17 T HN 0.106 nan 8.240 nan 0.000 0.518 18 L N 2.550 123.761 121.223 -0.020 0.000 2.375 18 L HA 0.379 4.719 4.340 -0.000 0.000 0.276 18 L C 1.036 177.891 176.870 -0.025 0.000 1.162 18 L CA 0.395 55.221 54.840 -0.023 0.000 0.991 18 L CB 0.196 42.239 42.059 -0.027 0.000 1.315 18 L HN 0.120 nan 8.230 nan 0.000 0.431 19 Q N 0.713 120.500 119.800 -0.021 0.000 2.378 19 Q HA 0.220 4.560 4.340 -0.000 0.000 0.216 19 Q C 0.015 176.002 176.000 -0.022 0.000 0.892 19 Q CA 0.555 56.345 55.803 -0.022 0.000 0.931 19 Q CB 1.027 29.754 28.738 -0.018 0.000 1.086 19 Q HN 0.583 nan 8.270 nan 0.000 0.528 20 E N -2.221 117.967 120.200 -0.020 0.000 2.433 20 E HA 0.528 4.878 4.350 -0.000 0.000 0.273 20 E C -0.261 176.328 176.600 -0.019 0.000 0.950 20 E CA -0.063 56.326 56.400 -0.018 0.000 0.796 20 E CB 1.402 31.093 29.700 -0.015 0.000 1.330 20 E HN 0.055 nan 8.360 nan 0.000 0.455 21 A N 1.396 124.206 122.820 -0.017 0.000 1.855 21 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 21 A C 1.646 179.222 177.584 -0.014 0.000 1.191 21 A CA 2.195 54.222 52.037 -0.016 0.000 0.613 21 A CB -0.706 18.286 19.000 -0.014 0.000 0.829 21 A HN 0.914 nan 8.150 nan 0.000 0.442 22 R N -1.123 119.369 120.500 -0.013 0.000 2.355 22 R HA -0.392 3.948 4.340 -0.000 0.000 0.086 22 R C 0.883 177.177 176.300 -0.010 0.000 0.762 22 R CA 2.416 58.509 56.100 -0.011 0.000 0.375 22 R CB -2.767 27.526 30.300 -0.012 0.000 0.585 22 R HN 1.387 nan 8.270 nan 0.000 0.254 23 I N -3.182 117.382 120.570 -0.011 0.000 9.135 23 I HA -0.353 3.817 4.170 -0.000 0.000 0.126 23 I C 0.986 177.097 176.117 -0.010 0.000 1.826 23 I CA 1.017 62.310 61.300 -0.010 0.000 2.095 23 I CB -1.208 36.787 38.000 -0.009 0.000 3.889 23 I HN 1.424 nan 8.210 nan 0.000 0.187 24 V N -2.579 117.329 119.914 -0.009 0.000 5.117 24 V HA -0.197 3.923 4.120 -0.000 0.000 0.285 24 V C 0.311 176.399 176.094 -0.009 0.000 0.490 24 V CA 0.927 63.221 62.300 -0.009 0.000 0.728 24 V CB -2.302 29.517 31.823 -0.008 0.000 0.597 24 V HN 1.341 nan 8.190 nan 0.000 1.265 25 L N 0.609 121.826 121.223 -0.010 0.000 2.529 25 L HA 0.238 4.578 4.340 -0.000 0.000 0.287 25 L C 1.429 178.292 176.870 -0.011 0.000 1.241 25 L CA 0.549 55.382 54.840 -0.011 0.000 0.857 25 L CB -0.469 41.583 42.059 -0.013 0.000 1.113 25 L HN 0.745 nan 8.230 nan 0.000 0.504 26 E N 1.218 121.412 120.200 -0.010 0.000 2.442 26 E HA 0.037 4.387 4.350 -0.000 0.000 0.262 26 E C 1.077 177.671 176.600 -0.011 0.000 1.004 26 E CA 0.265 56.659 56.400 -0.010 0.000 0.928 26 E CB 0.495 30.189 29.700 -0.009 0.000 0.937 26 E HN 0.676 nan 8.360 nan 0.000 0.446 27 A N 4.432 127.245 122.820 -0.011 0.000 1.870 27 A HA -0.373 3.947 4.320 -0.000 0.000 0.219 27 A C 1.983 179.558 177.584 -0.015 0.000 1.224 27 A CA 2.369 54.398 52.037 -0.013 0.000 0.650 27 A CB -0.833 18.159 19.000 -0.013 0.000 0.836 27 A HN 0.897 nan 8.150 nan 0.000 0.454 28 N N -0.288 118.403 118.700 -0.015 0.000 2.037 28 N HA -0.190 4.550 4.740 -0.000 0.000 0.196 28 N C 1.775 177.275 175.510 -0.016 0.000 1.034 28 N CA 2.443 55.483 53.050 -0.017 0.000 0.861 28 N CB -0.249 38.228 38.487 -0.015 0.000 1.039 28 N HN 0.284 nan 8.380 nan 0.000 0.427 29 V N 2.002 121.908 119.914 -0.013 0.000 2.270 29 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 29 V C 2.628 178.713 176.094 -0.014 0.000 1.043 29 V CA 1.911 64.204 62.300 -0.013 0.000 1.014 29 V CB -0.641 31.175 31.823 -0.012 0.000 0.645 29 V HN 0.416 nan 8.190 nan 0.000 0.447 30 M N 0.025 119.616 119.600 -0.014 0.000 2.073 30 M HA -0.273 4.207 4.480 -0.000 0.000 0.258 30 M C 2.309 178.601 176.300 -0.014 0.000 1.070 30 M CA 2.208 57.500 55.300 -0.014 0.000 1.103 30 M CB -0.396 32.197 32.600 -0.013 0.000 1.321 30 M HN 0.428 nan 8.290 nan 0.000 0.405 31 E N 0.344 120.535 120.200 -0.015 0.000 2.097 31 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 31 E C 1.937 178.527 176.600 -0.017 0.000 1.000 31 E CA 1.968 58.358 56.400 -0.017 0.000 0.804 31 E CB -0.415 29.272 29.700 -0.022 0.000 0.740 31 E HN 0.633 nan 8.360 nan 0.000 0.454 32 I N 0.999 121.559 120.570 -0.017 0.000 2.110 32 I HA -0.289 3.881 4.170 -0.000 0.000 0.236 32 I C 2.534 178.644 176.117 -0.011 0.000 1.068 32 I CA 1.008 62.300 61.300 -0.013 0.000 1.333 32 I CB -0.326 37.668 38.000 -0.010 0.000 1.054 32 I HN 0.071 nan 8.210 nan 0.000 0.402 33 L N 0.574 121.787 121.223 -0.016 0.000 2.089 33 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 33 L C 2.599 179.460 176.870 -0.015 0.000 1.079 33 L CA 1.621 56.447 54.840 -0.022 0.000 0.758 33 L CB -1.383 40.660 42.059 -0.026 0.000 0.891 33 L HN 0.407 nan 8.230 nan 0.000 0.433 34 G N 0.601 109.395 108.800 -0.011 0.000 2.552 34 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 34 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 34 G C 1.504 176.405 174.900 0.002 0.000 1.240 34 G CA 0.940 46.037 45.100 -0.005 0.000 0.796 34 G HN 0.265 nan 8.290 nan 0.000 0.568 35 I N 1.708 122.279 120.570 0.001 0.000 2.113 35 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 35 I C 3.340 179.468 176.117 0.019 0.000 1.057 35 I CA 1.379 62.684 61.300 0.007 0.000 1.314 35 I CB -0.541 37.460 38.000 0.001 0.000 1.022 35 I HN 0.296 nan 8.210 nan 0.000 0.408 36 A N 1.427 124.258 122.820 0.017 0.000 1.837 36 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 36 A C 2.288 179.902 177.584 0.050 0.000 1.210 36 A CA 2.170 54.224 52.037 0.029 0.000 0.632 36 A CB -1.180 17.822 19.000 0.003 0.000 0.843 36 A HN 0.403 nan 8.150 nan 0.000 0.448 37 I N -0.080 120.501 120.570 0.019 0.000 2.143 37 I HA -0.396 3.774 4.170 -0.000 0.000 0.245 37 I C 2.305 178.476 176.117 0.090 0.000 1.068 37 I CA 2.126 63.449 61.300 0.038 0.000 1.326 37 I CB -0.803 37.197 38.000 0.000 0.000 1.028 37 I HN 0.457 nan 8.210 nan 0.000 0.412 38 N N 0.414 119.146 118.700 0.054 0.000 2.036 38 N HA -0.187 4.553 4.740 -0.000 0.000 0.195 38 N C 1.932 177.473 175.510 0.052 0.000 1.037 38 N CA 1.218 54.295 53.050 0.045 0.000 0.855 38 N CB -0.170 38.332 38.487 0.025 0.000 1.033 38 N HN 0.149 nan 8.380 nan 0.000 0.423 39 R N -0.361 120.173 120.500 0.057 0.000 2.148 39 R HA -0.073 4.267 4.340 -0.000 0.000 0.227 39 R C 1.795 178.128 176.300 0.056 0.000 1.103 39 R CA 0.790 56.917 56.100 0.045 0.000 0.983 39 R CB -0.716 29.611 30.300 0.044 0.000 0.874 39 R HN 0.458 nan 8.270 nan 0.000 0.451 40 Y N 1.439 121.720 120.300 -0.033 0.000 2.109 40 Y HA -0.157 4.393 4.550 -0.000 0.000 0.281 40 Y C 1.813 177.669 175.900 -0.072 0.000 1.113 40 Y CA 1.960 60.029 58.100 -0.051 0.000 1.098 40 Y CB -0.547 37.892 38.460 -0.034 0.000 0.996 40 Y HN 0.108 nan 8.280 nan 0.000 0.485 41 N N -0.362 118.444 118.700 0.177 0.000 2.192 41 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 41 N C 1.888 177.366 175.510 -0.052 0.000 1.013 41 N CA 0.824 53.908 53.050 0.058 0.000 0.863 41 N CB -0.485 38.061 38.487 0.098 0.000 0.990 41 N HN 0.558 nan 8.380 nan 0.000 0.430 42 G N 0.650 109.425 108.800 -0.042 0.000 2.408 42 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 42 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 42 G C 1.279 176.117 174.900 -0.103 0.000 1.150 42 G CA 0.443 45.510 45.100 -0.054 0.000 0.776 42 G HN 0.192 nan 8.290 nan 0.000 0.542 43 L N 0.019 121.137 121.223 -0.175 0.000 2.616 43 L HA 0.214 4.554 4.340 -0.000 0.000 0.229 43 L C 2.179 178.791 176.870 -0.430 0.000 1.110 43 L CA 0.421 55.126 54.840 -0.224 0.000 0.884 43 L CB 0.581 42.524 42.059 -0.193 0.000 1.115 43 L HN 0.080 nan 8.230 nan 0.000 0.481 44 T N -0.856 113.369 114.554 -0.548 0.000 2.969 44 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 44 T C 0.742 175.229 174.700 -0.355 0.000 1.021 44 T CA -0.175 61.444 62.100 -0.802 0.000 1.003 44 T CB 0.595 68.812 68.868 -1.084 0.000 1.040 44 T HN -0.002 nan 8.240 nan 0.000 0.492 45 L N 0.720 121.826 121.223 -0.195 0.000 4.696 45 L HA -0.149 4.191 4.340 -0.000 0.000 0.425 45 L C 0.523 177.378 176.870 -0.025 0.000 1.115 45 L CA 0.830 55.626 54.840 -0.073 0.000 0.996 45 L CB -1.960 40.075 42.059 -0.040 0.000 2.077 45 L HN 0.283 nan 8.230 nan 0.000 0.792 46 R N -0.401 120.091 120.500 -0.014 0.000 2.553 46 R HA 0.682 5.022 4.340 -0.000 0.000 0.263 46 R C 0.933 177.293 176.300 0.101 0.000 1.066 46 R CA 0.213 56.361 56.100 0.081 0.000 1.135 46 R CB 0.913 31.320 30.300 0.179 0.000 1.148 46 R HN 0.195 nan 8.270 nan 0.000 0.558 47 G N 0.962 109.824 108.800 0.104 0.000 3.565 47 G HA2 0.377 4.337 3.960 -0.000 0.000 0.346 47 G HA3 0.377 4.337 3.960 -0.000 0.000 0.346 47 G C -0.518 174.426 174.900 0.073 0.000 1.363 47 G CA -0.323 44.824 45.100 0.079 0.000 1.134 47 G HN 0.224 nan 8.290 nan 0.000 0.471 48 V N 1.422 121.382 119.914 0.077 0.000 2.567 48 V HA 0.550 4.670 4.120 -0.000 0.000 0.289 48 V C 0.525 176.626 176.094 0.012 0.000 1.049 48 V CA -0.281 62.036 62.300 0.028 0.000 0.969 48 V CB 1.525 33.337 31.823 -0.018 0.000 0.995 48 V HN 0.530 nan 8.190 nan 0.000 0.471 49 T N 4.292 118.843 114.554 -0.006 0.000 2.888 49 T HA 0.367 4.717 4.350 -0.000 0.000 0.284 49 T C 1.069 175.758 174.700 -0.019 0.000 1.017 49 T CA -0.583 61.512 62.100 -0.007 0.000 1.022 49 T CB 1.738 70.603 68.868 -0.006 0.000 1.013 49 T HN 0.528 nan 8.240 nan 0.000 0.465 50 M N 0.920 120.510 119.600 -0.016 0.000 2.149 50 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 50 M C 0.686 176.972 176.300 -0.023 0.000 1.064 50 M CA 1.791 57.078 55.300 -0.020 0.000 1.102 50 M CB -0.018 32.574 32.600 -0.015 0.000 1.369 50 M HN 0.514 nan 8.290 nan 0.000 0.408 51 R N -0.500 119.988 120.500 -0.019 0.000 2.407 51 R HA 0.440 4.780 4.340 -0.000 0.000 0.298 51 R C -2.958 173.329 176.300 -0.021 0.000 1.166 51 R CA -1.669 54.418 56.100 -0.021 0.000 1.006 51 R CB -0.467 29.823 30.300 -0.017 0.000 1.145 51 R HN -0.123 nan 8.270 nan 0.000 0.538 52 P HA 0.126 nan 4.420 nan 0.000 0.276 52 P C 0.135 177.418 177.300 -0.029 0.000 1.253 52 P CA -0.248 62.834 63.100 -0.029 0.000 0.766 52 P CB 1.650 33.326 31.700 -0.041 0.000 0.845 53 T N -1.355 113.185 114.554 -0.023 0.000 3.056 53 T HA -0.011 4.339 4.350 -0.000 0.000 0.241 53 T C 1.506 176.193 174.700 -0.023 0.000 1.006 53 T CA 0.770 62.857 62.100 -0.022 0.000 1.115 53 T CB -0.725 68.134 68.868 -0.015 0.000 0.939 53 T HN 0.364 nan 8.240 nan 0.000 0.462 54 S N 2.251 117.939 115.700 -0.019 0.000 2.227 54 S HA 0.193 4.663 4.470 -0.000 0.000 0.173 54 S C 1.401 175.985 174.600 -0.027 0.000 1.372 54 S CA 0.995 59.184 58.200 -0.017 0.000 2.325 54 S CB -0.585 62.610 63.200 -0.009 0.000 0.475 54 S HN 0.518 nan 8.310 nan 0.000 0.351 55 L N -1.422 119.785 121.223 -0.027 0.000 1.978 55 L HA 0.548 4.888 4.340 -0.000 0.000 0.210 55 L C 2.010 178.854 176.870 -0.043 0.000 1.184 55 L CA 0.869 55.684 54.840 -0.040 0.000 1.208 55 L CB -0.980 41.064 42.059 -0.026 0.000 2.497 55 L HN 0.529 nan 8.230 nan 0.000 0.519 56 A N 0.252 123.064 122.820 -0.014 0.000 1.948 56 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 56 A C 2.007 179.581 177.584 -0.017 0.000 1.177 56 A CA 2.437 54.477 52.037 0.005 0.000 0.636 56 A CB -0.685 18.332 19.000 0.029 0.000 0.815 56 A HN 0.721 nan 8.150 nan 0.000 0.449 57 Q N -0.976 118.811 119.800 -0.022 0.000 2.079 57 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 57 Q C 2.393 178.354 176.000 -0.065 0.000 0.974 57 Q CA 1.240 57.026 55.803 -0.028 0.000 0.840 57 Q CB -0.180 28.546 28.738 -0.020 0.000 0.898 57 Q HN 0.630 nan 8.270 nan 0.000 0.430 58 R N 0.653 121.104 120.500 -0.082 0.000 2.083 58 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 58 R C 1.915 178.108 176.300 -0.177 0.000 1.137 58 R CA 1.316 57.352 56.100 -0.107 0.000 0.951 58 R CB -0.374 29.862 30.300 -0.106 0.000 0.851 58 R HN 0.315 nan 8.270 nan 0.000 0.434 59 N N 0.924 119.463 118.700 -0.269 0.000 2.084 59 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 59 N C 1.719 176.734 175.510 -0.825 0.000 1.030 59 N CA 1.173 53.841 53.050 -0.636 0.000 0.849 59 N CB -0.331 37.806 38.487 -0.582 0.000 1.012 59 N HN 0.211 nan 8.380 nan 0.000 0.423 60 E N 1.142 121.151 120.200 -0.318 0.000 2.065 60 E HA -0.181 4.169 4.350 -0.000 0.000 0.201 60 E C 2.016 178.592 176.600 -0.040 0.000 1.016 60 E CA 1.274 57.665 56.400 -0.014 0.000 0.818 60 E CB -0.276 29.456 29.700 0.054 0.000 0.749 60 E HN 0.338 nan 8.360 nan 0.000 0.453 61 M N -0.878 118.662 119.600 -0.100 0.000 2.117 61 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 61 M C 1.991 178.214 176.300 -0.127 0.000 1.065 61 M CA 1.655 56.885 55.300 -0.117 0.000 1.114 61 M CB -0.236 32.308 32.600 -0.093 0.000 1.361 61 M HN 0.265 nan 8.290 nan 0.000 0.408 62 F N 1.004 120.796 119.950 -0.263 0.000 2.046 62 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 62 F C 1.557 177.290 175.800 -0.112 0.000 1.123 62 F CA 1.902 59.767 58.000 -0.225 0.000 1.199 62 F CB -0.643 38.164 39.000 -0.322 0.000 0.972 62 F HN 0.132 nan 8.300 nan 0.000 0.474 63 F N 0.385 120.328 119.950 -0.012 0.000 2.115 63 F HA -0.334 4.193 4.527 -0.000 0.000 0.300 63 F C 2.620 178.410 175.800 -0.016 0.000 1.092 63 F CA 1.728 59.714 58.000 -0.023 0.000 1.245 63 F CB -1.482 37.659 39.000 0.235 0.000 0.995 63 F HN 0.149 nan 8.300 nan 0.000 0.481 64 M N -0.493 119.152 119.600 0.074 0.000 2.065 64 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 64 M C 2.380 178.574 176.300 -0.176 0.000 1.071 64 M CA 2.261 57.445 55.300 -0.194 0.000 1.109 64 M CB -0.602 31.608 32.600 -0.650 0.000 1.313 64 M HN 0.224 nan 8.290 nan 0.000 0.408 65 C N 0.505 119.644 119.300 -0.268 0.000 2.401 65 C HA -0.175 4.285 4.460 -0.000 0.000 0.276 65 C C 2.611 177.453 174.990 -0.247 0.000 1.233 65 C CA 0.904 59.764 59.018 -0.264 0.000 1.753 65 C CB -1.594 25.940 27.740 -0.342 0.000 2.029 65 C HN 0.734 nan 8.230 nan 0.000 0.478 66 L N 1.452 122.458 121.223 -0.362 0.000 2.017 66 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 66 L C 2.158 179.012 176.870 -0.026 0.000 1.073 66 L CA 2.087 56.767 54.840 -0.265 0.000 0.745 66 L CB -1.099 40.725 42.059 -0.391 0.000 0.894 66 L HN 0.256 nan 8.230 nan 0.000 0.432 67 D N -0.522 119.949 120.400 0.118 0.000 2.106 67 D HA -0.247 4.393 4.640 -0.000 0.000 0.191 67 D C 2.180 178.563 176.300 0.139 0.000 0.997 67 D CA 2.258 56.396 54.000 0.231 0.000 0.834 67 D CB -0.120 40.895 40.800 0.359 0.000 0.956 67 D HN 0.440 nan 8.370 nan 0.000 0.448 68 M N -0.276 119.383 119.600 0.097 0.000 2.117 68 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 68 M C 2.351 178.667 176.300 0.025 0.000 1.065 68 M CA 1.010 56.348 55.300 0.063 0.000 1.114 68 M CB -0.335 32.281 32.600 0.028 0.000 1.361 68 M HN 0.029 nan 8.290 nan 0.000 0.408 69 M N 1.332 120.929 119.600 -0.006 0.000 2.080 69 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 69 M C 1.964 178.265 176.300 0.002 0.000 1.068 69 M CA 2.010 57.301 55.300 -0.014 0.000 1.109 69 M CB -0.606 31.971 32.600 -0.038 0.000 1.342 69 M HN 0.311 nan 8.290 nan 0.000 0.405 70 L N -0.924 120.311 121.223 0.020 0.000 2.027 70 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 70 L C 2.466 179.353 176.870 0.028 0.000 1.074 70 L CA 1.251 56.108 54.840 0.028 0.000 0.745 70 L CB -1.058 41.037 42.059 0.059 0.000 0.898 70 L HN 0.245 nan 8.230 nan 0.000 0.433 71 S N 0.230 115.955 115.700 0.043 0.000 2.370 71 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 71 S C 2.163 176.774 174.600 0.018 0.000 1.033 71 S CA 1.379 59.602 58.200 0.037 0.000 1.011 71 S CB -0.345 62.888 63.200 0.055 0.000 0.852 71 S HN 0.496 nan 8.310 nan 0.000 0.457 72 A N 0.732 123.559 122.820 0.013 0.000 2.067 72 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 72 A C 2.117 179.693 177.584 -0.013 0.000 1.158 72 A CA 1.484 53.519 52.037 -0.003 0.000 0.661 72 A CB -0.553 18.442 19.000 -0.008 0.000 0.801 72 A HN 0.511 nan 8.150 nan 0.000 0.452 73 A N -1.853 120.961 122.820 -0.009 0.000 2.095 73 A HA 0.442 4.762 4.320 -0.000 0.000 0.212 73 A C 1.625 179.202 177.584 -0.012 0.000 1.162 73 A CA 1.093 53.121 52.037 -0.016 0.000 0.753 73 A CB -0.585 18.405 19.000 -0.017 0.000 0.840 73 A HN 1.878 nan 8.150 nan 0.000 0.468 74 G N -0.337 108.461 108.800 -0.003 0.000 2.291 74 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.271 74 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.271 74 G C -0.263 174.637 174.900 0.000 0.000 1.099 74 G CA 0.290 45.389 45.100 -0.001 0.000 0.919 74 G HN 0.464 nan 8.290 nan 0.000 0.496 75 I N 0.151 120.725 120.570 0.006 0.000 2.465 75 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 75 I C 0.097 176.224 176.117 0.018 0.000 1.014 75 I CA -0.789 60.515 61.300 0.007 0.000 1.093 75 I CB 2.168 40.170 38.000 0.003 0.000 1.267 75 I HN 0.240 nan 8.210 nan 0.000 0.431 76 N N 5.437 124.145 118.700 0.014 0.000 2.706 76 N HA 0.203 4.943 4.740 -0.000 0.000 0.240 76 N C 0.934 176.457 175.510 0.021 0.000 1.039 76 N CA -0.361 52.700 53.050 0.017 0.000 0.888 76 N CB 1.397 39.887 38.487 0.004 0.000 1.128 76 N HN 0.584 nan 8.380 nan 0.000 0.512 77 V N 1.653 121.591 119.914 0.041 0.000 2.626 77 V HA 0.213 4.333 4.120 -0.000 0.000 0.252 77 V C 1.190 177.311 176.094 0.046 0.000 1.067 77 V CA 1.232 63.558 62.300 0.045 0.000 1.081 77 V CB -1.511 30.355 31.823 0.072 0.000 0.686 77 V HN 0.776 nan 8.190 nan 0.000 0.468 78 G N 1.021 109.845 108.800 0.040 0.000 2.725 78 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 78 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 78 G C -2.264 172.668 174.900 0.055 0.000 1.357 78 G CA -0.247 44.870 45.100 0.030 0.000 0.866 78 G HN 0.695 nan 8.290 nan 0.000 0.548 79 P HA 0.285 nan 4.420 nan 0.000 0.267 79 P C 0.867 178.295 177.300 0.213 0.000 1.328 79 P CA 0.566 63.731 63.100 0.107 0.000 0.990 79 P CB -0.560 31.180 31.700 0.066 0.000 1.168 80 I N -0.076 120.620 120.570 0.211 0.000 4.240 80 I HA 0.371 4.541 4.170 -0.000 0.000 0.331 80 I C 0.056 176.188 176.117 0.025 0.000 1.381 80 I CA -0.373 61.049 61.300 0.205 0.000 1.136 80 I CB 0.625 38.704 38.000 0.132 0.000 1.137 80 I HN 0.143 nan 8.210 nan 0.000 0.411 81 S N 1.565 117.233 115.700 -0.054 0.000 2.535 81 S HA 0.529 4.999 4.470 -0.000 0.000 0.272 81 S C -2.385 172.122 174.600 -0.155 0.000 1.149 81 S CA -0.723 57.337 58.200 -0.234 0.000 0.888 81 S CB 1.919 65.178 63.200 0.098 0.000 1.110 81 S HN 0.028 nan 8.310 nan 0.000 0.463 82 P HA 0.179 nan 4.420 nan 0.000 0.230 82 P C 0.127 177.438 177.300 0.017 0.000 1.168 82 P CA 0.605 63.714 63.100 0.015 0.000 0.793 82 P CB 0.251 31.988 31.700 0.062 0.000 0.851 83 D N -1.398 119.023 120.400 0.035 0.000 2.277 83 D HA -0.011 4.629 4.640 -0.000 0.000 0.209 83 D C 0.430 176.633 176.300 -0.161 0.000 0.970 83 D CA 0.611 54.642 54.000 0.050 0.000 0.874 83 D CB -0.121 40.819 40.800 0.233 0.000 0.982 83 D HN 0.235 nan 8.370 nan 0.000 0.504 84 Y N 1.109 121.154 120.300 -0.426 0.000 2.409 84 Y HA 0.417 4.967 4.550 -0.000 0.000 0.339 84 Y C -0.974 174.705 175.900 -0.368 0.000 1.033 84 Y CA -0.341 57.299 58.100 -0.766 0.000 1.094 84 Y CB 1.826 39.652 38.460 -1.057 0.000 1.210 84 Y HN -0.365 nan 8.280 nan 0.000 0.456 85 T N 6.309 120.186 114.554 -1.129 0.000 2.937 85 T HA 0.156 4.506 4.350 -0.000 0.000 0.297 85 T C -1.124 172.899 174.700 -1.128 0.000 0.991 85 T CA -0.747 60.855 62.100 -0.831 0.000 0.990 85 T CB 1.270 69.891 68.868 -0.411 0.000 0.991 85 T HN 0.709 nan 8.240 nan 0.000 0.440 86 Q N 3.032 122.308 119.800 -0.874 0.000 2.262 86 Q HA 0.014 4.354 4.340 -0.000 0.000 0.272 86 Q C -0.457 175.409 176.000 -0.223 0.000 1.076 86 Q CA -0.098 55.446 55.803 -0.430 0.000 0.905 86 Q CB 0.340 29.046 28.738 -0.054 0.000 1.182 86 Q HN 0.600 nan 8.270 nan 0.000 0.390 87 H N 6.337 125.300 119.070 -0.180 0.000 2.723 87 H HA 0.057 4.613 4.556 -0.000 0.000 0.294 87 H C 0.626 175.908 175.328 -0.078 0.000 1.079 87 H CA -0.322 55.645 56.048 -0.135 0.000 1.411 87 H CB 0.998 30.667 29.762 -0.155 0.000 1.439 87 H HN 0.788 nan 8.280 nan 0.000 0.474 88 M N 3.788 123.344 119.600 -0.074 0.000 2.175 88 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 88 M C 2.251 178.605 176.300 0.089 0.000 1.063 88 M CA 1.180 56.482 55.300 0.003 0.000 1.119 88 M CB -1.475 31.082 32.600 -0.071 0.000 1.377 88 M HN 0.677 nan 8.290 nan 0.000 0.415 89 A N -0.194 122.750 122.820 0.207 0.000 2.225 89 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 89 A C 2.216 179.827 177.584 0.044 0.000 1.164 89 A CA 1.650 53.760 52.037 0.122 0.000 0.710 89 A CB -1.145 17.939 19.000 0.141 0.000 0.780 89 A HN 0.502 nan 8.150 nan 0.000 0.473 90 T N 0.373 114.967 114.554 0.066 0.000 2.685 90 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 90 T C 1.770 176.507 174.700 0.062 0.000 1.034 90 T CA 1.761 63.893 62.100 0.053 0.000 1.149 90 T CB -0.405 68.545 68.868 0.137 0.000 0.860 90 T HN 0.553 nan 8.240 nan 0.000 0.449 91 I N 1.689 122.291 120.570 0.053 0.000 2.208 91 I HA -0.089 4.081 4.170 -0.000 0.000 0.245 91 I C 2.476 178.612 176.117 0.031 0.000 1.097 91 I CA 1.657 62.981 61.300 0.039 0.000 1.363 91 I CB -1.033 36.983 38.000 0.028 0.000 1.051 91 I HN 0.240 nan 8.210 nan 0.000 0.413 92 G N -0.219 108.595 108.800 0.023 0.000 2.442 92 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 92 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 92 G C 1.625 176.536 174.900 0.018 0.000 1.141 92 G CA 1.254 46.363 45.100 0.015 0.000 0.763 92 G HN 0.408 nan 8.290 nan 0.000 0.554 93 V N 0.807 120.733 119.914 0.021 0.000 2.261 93 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 93 V C 2.731 178.860 176.094 0.059 0.000 1.047 93 V CA 1.134 63.459 62.300 0.041 0.000 1.015 93 V CB -0.555 31.314 31.823 0.077 0.000 0.642 93 V HN 0.219 nan 8.190 nan 0.000 0.446 94 L N 0.551 121.813 121.223 0.064 0.000 2.265 94 L HA -0.018 4.322 4.340 -0.000 0.000 0.215 94 L C 2.421 179.323 176.870 0.052 0.000 1.117 94 L CA 1.849 56.725 54.840 0.061 0.000 0.782 94 L CB -1.409 40.682 42.059 0.052 0.000 0.914 94 L HN 0.336 nan 8.230 nan 0.000 0.441 95 A N -1.978 120.867 122.820 0.041 0.000 2.119 95 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 95 A C 1.213 178.821 177.584 0.041 0.000 1.152 95 A CA 0.354 52.413 52.037 0.035 0.000 0.708 95 A CB -0.695 18.320 19.000 0.024 0.000 0.805 95 A HN 0.330 nan 8.150 nan 0.000 0.460 96 T N 3.026 117.605 114.554 0.042 0.000 2.793 96 T HA 0.172 4.522 4.350 -0.000 0.000 0.289 96 T C -1.251 173.479 174.700 0.051 0.000 0.956 96 T CA -0.464 61.659 62.100 0.039 0.000 1.177 96 T CB 0.920 69.808 68.868 0.034 0.000 0.897 96 T HN 0.315 nan 8.240 nan 0.000 0.533 97 P HA -0.159 nan 4.420 nan 0.000 0.216 97 P C 1.207 178.529 177.300 0.037 0.000 1.153 97 P CA 1.150 64.281 63.100 0.052 0.000 0.858 97 P CB 0.382 32.104 31.700 0.037 0.000 0.789 98 E N -0.138 120.075 120.200 0.023 0.000 2.171 98 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 98 E C 0.902 177.505 176.600 0.006 0.000 0.997 98 E CA 0.509 56.913 56.400 0.007 0.000 0.810 98 E CB -0.693 29.012 29.700 0.008 0.000 0.738 98 E HN 0.326 nan 8.360 nan 0.000 0.467 99 I N 2.988 123.576 120.570 0.031 0.000 2.587 99 I HA 0.037 4.207 4.170 -0.000 0.000 0.284 99 I C -1.908 174.234 176.117 0.042 0.000 1.134 99 I CA -1.529 59.796 61.300 0.041 0.000 1.410 99 I CB 0.344 38.384 38.000 0.067 0.000 1.392 99 I HN 0.003 nan 8.210 nan 0.000 0.545 100 P HA 0.422 nan 4.420 nan 0.000 0.281 100 P C -1.196 176.103 177.300 -0.003 0.000 1.281 100 P CA -0.253 62.773 63.100 -0.124 0.000 0.811 100 P CB 1.301 32.915 31.700 -0.142 0.000 1.154 101 F N -3.249 116.702 119.950 0.002 0.000 2.654 101 F HA 0.560 5.087 4.527 -0.000 0.000 0.308 101 F C -0.241 175.561 175.800 0.003 0.000 1.108 101 F CA -1.104 56.898 58.000 0.002 0.000 0.957 101 F CB 0.292 39.295 39.000 0.004 0.000 1.309 101 F HN 0.299 nan 8.300 nan 0.000 0.446 102 T N -1.849 112.848 114.554 0.238 0.000 2.828 102 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 102 T C 0.834 175.670 174.700 0.226 0.000 1.019 102 T CA 0.154 62.340 62.100 0.142 0.000 1.031 102 T CB 1.123 70.046 68.868 0.092 0.000 1.001 102 T HN 0.756 nan 8.240 nan 0.000 0.531 103 T N 1.351 115.980 114.554 0.124 0.000 2.720 103 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 103 T C 1.791 176.561 174.700 0.116 0.000 1.037 103 T CA 1.786 63.961 62.100 0.125 0.000 1.144 103 T CB -0.433 68.473 68.868 0.063 0.000 0.864 103 T HN 0.736 nan 8.240 nan 0.000 0.444 104 E N 1.630 121.882 120.200 0.087 0.000 2.033 104 E HA -0.084 4.266 4.350 -0.000 0.000 0.199 104 E C 2.487 179.133 176.600 0.077 0.000 1.011 104 E CA 1.389 57.830 56.400 0.068 0.000 0.815 104 E CB -0.850 28.883 29.700 0.055 0.000 0.755 104 E HN 0.486 nan 8.360 nan 0.000 0.451 105 A N 1.100 123.978 122.820 0.097 0.000 1.903 105 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 105 A C 2.414 180.009 177.584 0.020 0.000 1.191 105 A CA 2.691 54.771 52.037 0.072 0.000 0.638 105 A CB -1.192 17.869 19.000 0.102 0.000 0.823 105 A HN 0.308 nan 8.150 nan 0.000 0.451 106 A N 0.008 122.851 122.820 0.039 0.000 1.865 106 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 106 A C 1.982 179.562 177.584 -0.006 0.000 1.191 106 A CA 1.738 53.746 52.037 -0.048 0.000 0.623 106 A CB -0.850 18.198 19.000 0.080 0.000 0.826 106 A HN 0.691 nan 8.150 nan 0.000 0.444 107 N N -0.571 118.151 118.700 0.036 0.000 2.223 107 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 107 N C 1.736 177.272 175.510 0.043 0.000 1.016 107 N CA 1.518 54.586 53.050 0.031 0.000 0.863 107 N CB -0.184 38.320 38.487 0.029 0.000 0.983 107 N HN 0.663 nan 8.380 nan 0.000 0.429 108 E N 0.715 120.955 120.200 0.067 0.000 2.031 108 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 108 E C 2.071 178.766 176.600 0.157 0.000 0.994 108 E CA 0.728 57.217 56.400 0.148 0.000 0.800 108 E CB 0.087 29.878 29.700 0.152 0.000 0.752 108 E HN 0.228 nan 8.360 nan 0.000 0.447 109 I N 1.206 121.804 120.570 0.047 0.000 2.179 109 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 109 I C 2.539 178.662 176.117 0.011 0.000 1.088 109 I CA 1.209 62.508 61.300 -0.002 0.000 1.357 109 I CB -1.599 36.357 38.000 -0.073 0.000 1.051 109 I HN 0.042 nan 8.210 nan 0.000 0.409 110 A N 0.739 123.561 122.820 0.004 0.000 1.986 110 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 110 A C 2.449 180.049 177.584 0.026 0.000 1.171 110 A CA 2.250 54.289 52.037 0.002 0.000 0.640 110 A CB -0.588 18.412 19.000 0.000 0.000 0.811 110 A HN 0.321 nan 8.150 nan 0.000 0.451 111 R N -0.279 120.263 120.500 0.071 0.000 2.057 111 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 111 R C 1.948 178.331 176.300 0.138 0.000 1.136 111 R CA 1.888 58.046 56.100 0.097 0.000 0.952 111 R CB -1.186 29.176 30.300 0.104 0.000 0.848 111 R HN 0.238 nan 8.270 nan 0.000 0.430 112 V N 0.499 120.522 119.914 0.182 0.000 2.220 112 V HA -0.350 3.770 4.120 -0.000 0.000 0.250 112 V C 2.129 178.220 176.094 -0.004 0.000 1.056 112 V CA 2.652 64.987 62.300 0.059 0.000 1.016 112 V CB -1.057 30.723 31.823 -0.071 0.000 0.639 112 V HN 0.511 nan 8.190 nan 0.000 0.446 113 T N 0.102 114.643 114.554 -0.021 0.000 2.720 113 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 113 T C 1.869 176.540 174.700 -0.048 0.000 1.037 113 T CA 1.495 63.568 62.100 -0.045 0.000 1.144 113 T CB -0.843 67.999 68.868 -0.044 0.000 0.864 113 T HN 0.647 nan 8.240 nan 0.000 0.444 114 G N 2.353 111.138 108.800 -0.024 0.000 2.587 114 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 114 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 114 G C 1.467 176.337 174.900 -0.051 0.000 1.240 114 G CA 1.442 46.525 45.100 -0.029 0.000 0.794 114 G HN 0.707 nan 8.290 nan 0.000 0.580 115 E N -0.693 119.488 120.200 -0.032 0.000 2.072 115 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 115 E C 2.276 178.801 176.600 -0.125 0.000 0.985 115 E CA 1.659 58.027 56.400 -0.054 0.000 0.801 115 E CB -1.092 28.606 29.700 -0.003 0.000 0.750 115 E HN 0.248 nan 8.360 nan 0.000 0.452 116 T N 0.036 114.525 114.554 -0.108 0.000 2.803 116 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 116 T C 1.901 176.447 174.700 -0.257 0.000 1.052 116 T CA 1.928 63.936 62.100 -0.154 0.000 1.136 116 T CB -0.524 68.280 68.868 -0.106 0.000 0.864 116 T HN 0.487 nan 8.240 nan 0.000 0.467 117 S N -1.018 114.540 115.700 -0.237 0.000 2.461 117 S HA 0.102 4.572 4.470 -0.000 0.000 0.228 117 S C 1.173 175.479 174.600 -0.489 0.000 1.005 117 S CA 0.467 58.493 58.200 -0.291 0.000 0.942 117 S CB -0.023 63.076 63.200 -0.167 0.000 0.776 117 S HN 0.419 nan 8.310 nan 0.000 0.514 118 T N -0.087 114.184 114.554 -0.471 0.000 2.762 118 T HA 0.550 4.900 4.350 -0.000 0.000 0.272 118 T C -1.589 172.756 174.700 -0.592 0.000 0.982 118 T CA -0.962 60.827 62.100 -0.519 0.000 1.013 118 T CB 0.849 69.653 68.868 -0.106 0.000 1.309 118 T HN 0.439 nan 8.240 nan 0.000 0.572 119 W N -0.421 120.880 121.300 0.001 0.000 2.804 119 W HA 0.679 5.339 4.660 -0.000 0.000 0.352 119 W C 0.127 176.645 176.519 -0.001 0.000 1.153 119 W CA -0.939 56.405 57.345 -0.002 0.000 1.119 119 W CB 1.503 30.960 29.460 -0.006 0.000 1.448 119 W HN 0.992 nan 8.180 nan 0.000 0.600 120 G N 1.326 110.269 108.800 0.239 0.000 2.616 120 G HA2 0.393 4.353 3.960 -0.000 0.000 0.294 120 G HA3 0.393 4.353 3.960 -0.000 0.000 0.294 120 G C -3.076 171.880 174.900 0.093 0.000 1.489 120 G CA -0.927 44.251 45.100 0.130 0.000 0.836 120 G HN 0.029 nan 8.290 nan 0.000 0.527 121 P HA 0.482 nan 4.420 nan 0.000 0.268 121 P C -0.363 176.954 177.300 0.029 0.000 1.204 121 P CA 0.113 63.242 63.100 0.049 0.000 0.768 121 P CB 1.667 33.401 31.700 0.057 0.000 0.842 122 A N 3.208 126.032 122.820 0.006 0.000 2.547 122 A HA 0.423 4.743 4.320 -0.000 0.000 0.297 122 A C -0.344 177.201 177.584 -0.066 0.000 1.056 122 A CA -0.902 51.119 52.037 -0.027 0.000 0.688 122 A CB 1.301 20.282 19.000 -0.031 0.000 1.282 122 A HN 0.449 nan 8.150 nan 0.000 0.400 123 R N 1.727 122.178 120.500 -0.081 0.000 2.446 123 R HA 0.120 4.460 4.340 -0.000 0.000 0.314 123 R C -0.210 175.991 176.300 -0.164 0.000 1.003 123 R CA -0.037 56.000 56.100 -0.105 0.000 1.018 123 R CB 0.293 30.465 30.300 -0.214 0.000 0.945 123 R HN 0.668 nan 8.270 nan 0.000 0.419 124 Q N 4.325 123.960 119.800 -0.275 0.000 2.373 124 Q HA 0.049 4.389 4.340 -0.000 0.000 0.255 124 Q C -1.248 174.643 176.000 -0.182 0.000 0.980 124 Q CA -1.434 54.177 55.803 -0.320 0.000 0.882 124 Q CB 0.585 28.921 28.738 -0.670 0.000 1.249 124 Q HN 0.491 nan 8.270 nan 0.000 0.438 125 P HA -0.096 nan 4.420 nan 0.000 0.218 125 P C -0.348 176.734 177.300 -0.363 0.000 1.152 125 P CA 1.355 64.192 63.100 -0.438 0.000 0.826 125 P CB 0.336 31.547 31.700 -0.815 0.000 0.790 126 Y N -0.058 120.340 120.300 0.163 0.000 2.602 126 Y HA 0.590 5.139 4.550 -0.000 0.000 0.330 126 Y C 1.554 177.611 175.900 0.261 0.000 1.114 126 Y CA -1.451 56.758 58.100 0.182 0.000 1.182 126 Y CB -0.269 38.280 38.460 0.149 0.000 1.305 126 Y HN -0.162 nan 8.280 nan 0.000 0.502 127 G N 0.194 109.232 108.800 0.397 0.000 2.484 127 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.235 127 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.235 127 G C 0.447 175.495 174.900 0.246 0.000 1.282 127 G CA -0.157 45.136 45.100 0.321 0.000 0.857 127 G HN 0.708 nan 8.290 nan 0.000 0.571 128 F N 1.670 121.581 119.950 -0.064 0.000 2.069 128 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 128 F C 1.616 177.176 175.800 -0.400 0.000 1.113 128 F CA 1.166 58.869 58.000 -0.494 0.000 1.214 128 F CB -0.137 38.384 39.000 -0.798 0.000 0.978 128 F HN 0.328 nan 8.300 nan 0.000 0.474 129 F N 0.597 120.758 119.950 0.350 0.000 2.913 129 F HA 0.180 4.707 4.527 -0.000 0.000 0.306 129 F C 1.159 177.036 175.800 0.128 0.000 1.205 129 F CA -0.200 57.935 58.000 0.224 0.000 1.359 129 F CB -0.448 38.649 39.000 0.162 0.000 1.260 129 F HN -0.015 nan 8.300 nan 0.000 0.545 130 L N 0.123 121.469 121.223 0.205 0.000 2.209 130 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 130 L C 1.444 178.384 176.870 0.118 0.000 1.094 130 L CA 1.523 56.456 54.840 0.155 0.000 0.790 130 L CB -0.123 42.019 42.059 0.139 0.000 0.932 130 L HN 0.134 nan 8.230 nan 0.000 0.447 131 E N 0.572 120.839 120.200 0.111 0.000 2.354 131 E HA 0.103 4.453 4.350 -0.000 0.000 0.260 131 E C -0.283 176.379 176.600 0.102 0.000 1.405 131 E CA -0.015 56.439 56.400 0.089 0.000 1.728 131 E CB -0.307 29.434 29.700 0.068 0.000 1.471 131 E HN 0.429 nan 8.360 nan 0.000 0.441 132 T N -2.972 111.654 114.554 0.120 0.000 2.859 132 T HA 0.285 4.635 4.350 -0.000 0.000 0.281 132 T C 0.822 175.561 174.700 0.065 0.000 1.005 132 T CA -0.809 61.358 62.100 0.111 0.000 1.025 132 T CB 2.134 71.086 68.868 0.141 0.000 0.977 132 T HN 0.016 nan 8.240 nan 0.000 0.458 133 E N 1.213 121.442 120.200 0.048 0.000 2.102 133 E HA 0.037 4.387 4.350 -0.000 0.000 0.190 133 E C 0.090 176.692 176.600 0.002 0.000 0.971 133 E CA 0.588 57.001 56.400 0.023 0.000 0.821 133 E CB 0.314 30.026 29.700 0.019 0.000 0.777 133 E HN 0.741 nan 8.360 nan 0.000 0.460 134 E N 0.740 120.946 120.200 0.009 0.000 2.171 134 E HA 0.320 4.670 4.350 -0.000 0.000 0.271 134 E C -0.780 175.829 176.600 0.014 0.000 0.916 134 E CA -0.297 56.088 56.400 -0.026 0.000 0.774 134 E CB 2.249 31.945 29.700 -0.006 0.000 1.128 134 E HN -0.169 nan 8.360 nan 0.000 0.403 135 T N 2.123 116.637 114.554 -0.067 0.000 2.893 135 T HA 0.598 4.948 4.350 -0.000 0.000 0.291 135 T C -1.450 173.184 174.700 -0.110 0.000 1.028 135 T CA -0.580 61.530 62.100 0.016 0.000 0.995 135 T CB 0.470 69.335 68.868 -0.004 0.000 1.051 135 T HN 0.243 nan 8.240 nan 0.000 0.470 136 F N 1.835 121.689 119.950 -0.160 0.000 2.523 136 F HA 0.522 5.049 4.527 -0.000 0.000 0.329 136 F C 0.691 176.433 175.800 -0.096 0.000 1.061 136 F CA -1.009 56.893 58.000 -0.163 0.000 0.967 136 F CB 1.498 40.344 39.000 -0.258 0.000 1.218 136 F HN 0.502 nan 8.300 nan 0.000 0.480 137 Q N 4.444 124.297 119.800 0.089 0.000 2.311 137 Q HA 0.146 4.486 4.340 -0.000 0.000 0.272 137 Q C -2.378 173.675 176.000 0.088 0.000 1.012 137 Q CA -1.702 54.143 55.803 0.071 0.000 0.891 137 Q CB 0.759 29.540 28.738 0.071 0.000 1.201 137 Q HN 0.176 nan 8.270 nan 0.000 0.391 138 P HA 0.038 nan 4.420 nan 0.000 0.270 138 P C 0.172 177.524 177.300 0.086 0.000 1.242 138 P CA 0.901 64.038 63.100 0.060 0.000 0.768 138 P CB 0.607 32.338 31.700 0.052 0.000 0.820 139 G N 2.837 111.691 108.800 0.092 0.000 2.175 139 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 139 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 139 G C 0.216 175.262 174.900 0.243 0.000 0.982 139 G CA -0.088 45.104 45.100 0.153 0.000 0.641 139 G HN 0.752 nan 8.290 nan 0.000 0.527 140 R N 0.270 120.896 120.500 0.210 0.000 2.346 140 R HA 0.467 4.807 4.340 -0.000 0.000 0.311 140 R C 0.598 177.098 176.300 0.334 0.000 0.983 140 R CA -0.973 55.301 56.100 0.290 0.000 0.880 140 R CB 0.464 30.904 30.300 0.232 0.000 1.100 140 R HN 0.273 nan 8.270 nan 0.000 0.453 141 W N 6.568 128.038 121.300 0.282 0.000 2.170 141 W HA 0.185 4.845 4.660 -0.000 0.000 0.342 141 W C -1.626 175.050 176.519 0.261 0.000 1.294 141 W CA 0.158 57.648 57.345 0.241 0.000 1.246 141 W CB 0.502 30.144 29.460 0.303 0.000 1.156 141 W HN 0.572 nan 8.180 nan 0.000 0.572 142 F N 7.437 126.968 119.950 -0.698 0.000 2.639 142 F HA 0.311 4.838 4.527 -0.000 0.000 0.326 142 F C -1.724 173.660 175.800 -0.694 0.000 1.150 142 F CA -0.973 56.771 58.000 -0.428 0.000 1.057 142 F CB 0.968 39.860 39.000 -0.180 0.000 1.300 142 F HN 0.178 nan 8.300 nan 0.000 0.486 143 M N 7.015 126.045 119.600 -0.950 0.000 2.093 143 M HA 0.473 4.953 4.480 -0.000 0.000 0.297 143 M C -0.941 174.996 176.300 -0.606 0.000 0.938 143 M CA -0.429 54.523 55.300 -0.579 0.000 0.920 143 M CB 1.322 33.838 32.600 -0.140 0.000 1.517 143 M HN 0.638 nan 8.290 nan 0.000 0.427 144 R N 3.058 123.354 120.500 -0.341 0.000 2.537 144 R HA 0.609 4.949 4.340 -0.000 0.000 0.280 144 R C -0.278 175.956 176.300 -0.109 0.000 1.058 144 R CA 0.250 56.266 56.100 -0.139 0.000 1.057 144 R CB 0.580 30.918 30.300 0.063 0.000 0.973 144 R HN 0.914 nan 8.270 nan 0.000 0.438 145 A N 3.466 126.241 122.820 -0.074 0.000 2.584 145 A HA 0.275 4.595 4.320 -0.000 0.000 0.239 145 A C 1.202 178.773 177.584 -0.022 0.000 1.043 145 A CA 0.876 52.889 52.037 -0.041 0.000 0.756 145 A CB -0.405 18.584 19.000 -0.018 0.000 0.963 145 A HN 1.395 nan 8.150 nan 0.000 0.511 146 A N 1.515 124.325 122.820 -0.017 0.000 3.383 146 A HA -0.177 4.143 4.320 -0.000 0.000 0.264 146 A C 0.394 177.971 177.584 -0.012 0.000 1.154 146 A CA 1.668 53.700 52.037 -0.009 0.000 1.179 146 A CB -2.306 16.692 19.000 -0.004 0.000 1.133 146 A HN 0.983 nan 8.150 nan 0.000 0.933 147 Q N -1.843 117.943 119.800 -0.023 0.000 2.266 147 Q HA 0.712 5.052 4.340 -0.000 0.000 0.261 147 Q C 0.932 176.918 176.000 -0.024 0.000 0.985 147 Q CA 0.059 55.844 55.803 -0.030 0.000 0.873 147 Q CB 1.796 30.504 28.738 -0.049 0.000 1.306 147 Q HN 0.898 nan 8.270 nan 0.000 0.447 148 A N 0.875 123.682 122.820 -0.020 0.000 2.197 148 A HA 0.515 4.835 4.320 -0.000 0.000 0.210 148 A C 0.307 177.871 177.584 -0.034 0.000 1.180 148 A CA 0.489 52.525 52.037 -0.001 0.000 0.846 148 A CB 0.618 19.622 19.000 0.007 0.000 0.884 148 A HN 0.562 nan 8.150 nan 0.000 0.487 149 A N -0.087 122.686 122.820 -0.078 0.000 2.411 149 A HA 0.613 4.933 4.320 -0.000 0.000 0.285 149 A C -0.612 176.879 177.584 -0.156 0.000 1.129 149 A CA -0.204 51.755 52.037 -0.129 0.000 0.736 149 A CB 0.681 19.609 19.000 -0.121 0.000 1.186 149 A HN 0.022 nan 8.150 nan 0.000 0.445 150 T N 2.335 116.754 114.554 -0.225 0.000 2.864 150 T HA 0.601 4.951 4.350 -0.000 0.000 0.310 150 T C 0.125 174.665 174.700 -0.266 0.000 1.040 150 T CA 0.045 62.016 62.100 -0.215 0.000 0.977 150 T CB 1.137 69.891 68.868 -0.190 0.000 0.976 150 T HN 1.097 nan 8.240 nan 0.000 0.459 151 A N 3.029 125.697 122.820 -0.253 0.000 2.310 151 A HA 0.902 5.222 4.320 -0.000 0.000 0.299 151 A C -0.288 177.060 177.584 -0.393 0.000 1.147 151 A CA -0.575 51.279 52.037 -0.304 0.000 0.818 151 A CB 0.925 19.765 19.000 -0.266 0.000 1.096 151 A HN 0.700 nan 8.150 nan 0.000 0.495 152 V N 2.195 121.822 119.914 -0.478 0.000 3.204 152 V HA 0.520 4.640 4.120 -0.000 0.000 0.298 152 V C -0.336 175.417 176.094 -0.569 0.000 1.328 152 V CA -0.162 61.757 62.300 -0.635 0.000 1.035 152 V CB 2.352 33.555 31.823 -1.033 0.000 1.095 152 V HN 1.539 nan 8.190 nan 0.000 0.442 153 V N 1.871 121.456 119.914 -0.548 0.000 3.003 153 V HA 0.533 4.653 4.120 -0.000 0.000 0.305 153 V C 0.713 176.685 176.094 -0.203 0.000 1.078 153 V CA 0.700 62.721 62.300 -0.466 0.000 1.083 153 V CB 0.935 32.496 31.823 -0.437 0.000 1.039 153 V HN 1.718 nan 8.190 nan 0.000 0.481 154 C N 0.336 119.551 119.300 -0.142 0.000 4.008 154 C HA 0.818 5.278 4.460 -0.000 0.000 0.312 154 C C 0.656 175.649 174.990 0.005 0.000 2.149 154 C CA 0.054 59.056 59.018 -0.027 0.000 1.586 154 C CB -0.909 26.813 27.740 -0.030 0.000 3.087 154 C HN 1.762 nan 8.230 nan 0.000 0.531 155 G N 0.539 109.344 108.800 0.008 0.000 2.506 155 G HA2 0.574 4.534 3.960 -0.000 0.000 0.292 155 G HA3 0.574 4.534 3.960 -0.000 0.000 0.292 155 G C -2.876 172.110 174.900 0.143 0.000 1.425 155 G CA -0.461 44.682 45.100 0.071 0.000 0.788 155 G HN -0.221 nan 8.290 nan 0.000 0.490 156 P HA 0.092 nan 4.420 nan 0.000 0.221 156 P C 0.415 177.920 177.300 0.343 0.000 1.150 156 P CA 1.506 64.751 63.100 0.241 0.000 0.800 156 P CB 0.287 32.096 31.700 0.182 0.000 0.787 157 D N -2.797 117.788 120.400 0.308 0.000 2.740 157 D HA 0.287 4.927 4.640 -0.000 0.000 0.301 157 D C -0.142 176.344 176.300 0.310 0.000 1.408 157 D CA -0.160 54.044 54.000 0.339 0.000 0.808 157 D CB -0.158 40.798 40.800 0.260 0.000 1.128 157 D HN 0.022 nan 8.370 nan 0.000 0.465 158 M N 1.511 121.275 119.600 0.274 0.000 2.421 158 M HA 0.549 5.029 4.480 -0.000 0.000 0.287 158 M C -1.943 174.310 176.300 -0.078 0.000 1.183 158 M CA -0.671 54.700 55.300 0.120 0.000 0.916 158 M CB 2.740 35.387 32.600 0.079 0.000 1.701 158 M HN 0.191 nan 8.290 nan 0.000 0.470 159 I N 0.532 121.036 120.570 -0.110 0.000 3.174 159 I HA 0.832 5.002 4.170 -0.000 0.000 0.313 159 I C -1.750 174.267 176.117 -0.166 0.000 1.155 159 I CA -0.743 60.392 61.300 -0.275 0.000 0.977 159 I CB 2.585 40.325 38.000 -0.433 0.000 1.248 159 I HN 0.770 nan 8.210 nan 0.000 0.453 160 Q N 2.211 121.878 119.800 -0.221 0.000 2.295 160 Q HA 0.674 5.014 4.340 -0.000 0.000 0.268 160 Q C -1.987 173.864 176.000 -0.249 0.000 1.010 160 Q CA -0.963 54.731 55.803 -0.183 0.000 0.856 160 Q CB 2.571 31.220 28.738 -0.148 0.000 1.349 160 Q HN 0.572 nan 8.270 nan 0.000 0.412 161 V N 1.595 121.371 119.914 -0.230 0.000 2.435 161 V HA 0.463 4.582 4.120 -0.000 0.000 0.290 161 V C -0.203 175.695 176.094 -0.326 0.000 1.030 161 V CA -0.598 61.540 62.300 -0.270 0.000 0.881 161 V CB 1.672 33.358 31.823 -0.228 0.000 0.983 161 V HN 0.852 nan 8.190 nan 0.000 0.445 162 S N 6.152 121.591 115.700 -0.435 0.000 2.420 162 S HA 0.611 5.081 4.470 -0.000 0.000 0.313 162 S C -0.588 173.730 174.600 -0.470 0.000 1.079 162 S CA -0.511 57.278 58.200 -0.684 0.000 1.104 162 S CB 0.484 62.939 63.200 -1.243 0.000 0.969 162 S HN 0.397 nan 8.310 nan 0.000 0.471 163 L N 3.777 124.888 121.223 -0.185 0.000 2.329 163 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 163 L C 0.220 177.267 176.870 0.294 0.000 1.014 163 L CA -0.590 54.255 54.840 0.008 0.000 0.814 163 L CB 1.377 43.421 42.059 -0.025 0.000 1.257 163 L HN 0.498 nan 8.230 nan 0.000 0.424 164 N N 0.920 119.770 118.700 0.250 0.000 2.463 164 N HA 0.370 5.110 4.740 -0.000 0.000 0.270 164 N C 0.031 175.618 175.510 0.129 0.000 1.205 164 N CA -0.422 52.783 53.050 0.258 0.000 0.974 164 N CB 1.265 39.861 38.487 0.182 0.000 1.197 164 N HN 0.685 nan 8.380 nan 0.000 0.504 165 A N -0.075 122.797 122.820 0.087 0.000 2.548 165 A HA 0.390 4.710 4.320 -0.000 0.000 0.247 165 A C 1.311 178.918 177.584 0.037 0.000 1.067 165 A CA 0.692 52.760 52.037 0.052 0.000 0.757 165 A CB -1.001 18.016 19.000 0.028 0.000 0.996 165 A HN 0.943 nan 8.150 nan 0.000 0.504 166 G N 0.813 109.629 108.800 0.027 0.000 2.148 166 G HA2 0.139 4.099 3.960 -0.000 0.000 0.254 166 G HA3 0.139 4.099 3.960 -0.000 0.000 0.254 166 G C 0.511 175.416 174.900 0.009 0.000 0.981 166 G CA 0.632 45.741 45.100 0.015 0.000 0.670 166 G HN 2.144 nan 8.290 nan 0.000 0.528 167 A N -0.345 122.479 122.820 0.007 0.000 2.264 167 A HA 1.017 5.337 4.320 -0.000 0.000 0.304 167 A C 0.517 178.068 177.584 -0.055 0.000 1.100 167 A CA 0.398 52.429 52.037 -0.010 0.000 0.839 167 A CB 0.766 19.768 19.000 0.004 0.000 1.121 167 A HN 1.641 nan 8.150 nan 0.000 0.496 168 R N -0.644 119.813 120.500 -0.072 0.000 2.692 168 R HA 0.741 5.081 4.340 -0.000 0.000 0.269 168 R C -0.445 175.776 176.300 -0.131 0.000 1.030 168 R CA -0.305 55.697 56.100 -0.163 0.000 0.882 168 R CB 1.148 31.384 30.300 -0.106 0.000 1.250 168 R HN 1.806 nan 8.270 nan 0.000 0.465 169 G N 0.812 109.436 108.800 -0.294 0.000 2.387 169 G HA2 0.305 4.265 3.960 -0.000 0.000 0.294 169 G HA3 0.305 4.265 3.960 -0.000 0.000 0.294 169 G C -1.980 172.910 174.900 -0.015 0.000 1.509 169 G CA -0.882 44.186 45.100 -0.053 0.000 0.806 169 G HN 0.493 nan 8.290 nan 0.000 0.546 170 D N 0.015 120.503 120.400 0.147 0.000 2.304 170 D HA 0.419 5.059 4.640 -0.000 0.000 0.250 170 D C 1.112 177.420 176.300 0.014 0.000 1.107 170 D CA -0.217 53.851 54.000 0.113 0.000 0.885 170 D CB 2.164 43.019 40.800 0.091 0.000 1.192 170 D HN 0.111 nan 8.370 nan 0.000 0.436 171 V N 2.323 122.232 119.914 -0.009 0.000 3.455 171 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 171 V C 2.351 178.529 176.094 0.141 0.000 1.230 171 V CA 0.068 62.369 62.300 0.002 0.000 1.105 171 V CB -0.199 31.595 31.823 -0.048 0.000 0.850 171 V HN 0.535 nan 8.190 nan 0.000 0.461 172 Q N 2.242 122.163 119.800 0.201 0.000 2.207 172 Q HA -0.371 3.969 4.340 -0.000 0.000 0.215 172 Q C 1.876 178.167 176.000 0.484 0.000 1.006 172 Q CA 2.655 58.742 55.803 0.472 0.000 0.903 172 Q CB -1.071 27.930 28.738 0.437 0.000 0.947 172 Q HN 0.798 nan 8.270 nan 0.000 0.414 173 Q N 0.533 120.480 119.800 0.245 0.000 2.443 173 Q HA -0.130 4.210 4.340 -0.000 0.000 0.213 173 Q C 1.873 177.952 176.000 0.131 0.000 0.982 173 Q CA 1.399 57.304 55.803 0.169 0.000 0.894 173 Q CB -0.596 28.197 28.738 0.092 0.000 0.947 173 Q HN 0.538 nan 8.270 nan 0.000 0.480 174 I N -0.194 120.418 120.570 0.070 0.000 2.617 174 I HA -0.051 4.119 4.170 -0.000 0.000 0.256 174 I C 1.304 177.428 176.117 0.012 0.000 1.167 174 I CA 0.667 61.911 61.300 -0.095 0.000 1.469 174 I CB -0.099 37.681 38.000 -0.367 0.000 1.098 174 I HN -0.030 nan 8.210 nan 0.000 0.436 175 F N 0.308 120.398 119.950 0.233 0.000 2.262 175 F HA 0.134 4.661 4.527 -0.000 0.000 0.292 175 F C 1.546 177.478 175.800 0.221 0.000 1.081 175 F CA 0.231 58.345 58.000 0.191 0.000 1.355 175 F CB -0.927 38.121 39.000 0.080 0.000 1.069 175 F HN -0.072 nan 8.300 nan 0.000 0.506 176 Q N 0.081 120.098 119.800 0.362 0.000 2.428 176 Q HA 0.287 4.627 4.340 -0.000 0.000 0.276 176 Q C 1.354 177.456 176.000 0.170 0.000 1.059 176 Q CA 0.931 56.863 55.803 0.215 0.000 0.923 176 Q CB 0.183 29.014 28.738 0.154 0.000 1.283 176 Q HN 0.538 nan 8.270 nan 0.000 0.447 177 G N 1.124 109.992 108.800 0.112 0.000 2.241 177 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 177 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 177 G C -0.142 174.799 174.900 0.070 0.000 0.998 177 G CA -0.008 45.140 45.100 0.079 0.000 0.621 177 G HN 0.535 nan 8.290 nan 0.000 0.519 178 R N 0.894 121.454 120.500 0.101 0.000 2.407 178 R HA 0.615 4.955 4.340 -0.000 0.000 0.303 178 R C 0.889 177.141 176.300 -0.080 0.000 0.981 178 R CA -0.090 56.021 56.100 0.019 0.000 0.905 178 R CB 0.668 30.999 30.300 0.053 0.000 1.099 178 R HN 0.517 nan 8.270 nan 0.000 0.459 179 N N 0.751 119.384 118.700 -0.111 0.000 1.202 179 N HA -0.336 4.404 4.740 -0.000 0.000 0.108 179 N C -0.579 174.907 175.510 -0.041 0.000 0.816 179 N CA 1.745 54.738 53.050 -0.095 0.000 0.848 179 N CB -0.443 37.947 38.487 -0.161 0.000 0.972 179 N HN 0.816 nan 8.380 nan 0.000 0.645 180 D N -0.117 120.274 120.400 -0.014 0.000 3.250 180 D HA 0.266 4.906 4.640 -0.000 0.000 0.252 180 D C -2.851 173.459 176.300 0.016 0.000 1.342 180 D CA -0.898 53.096 54.000 -0.011 0.000 0.807 180 D CB 0.405 41.184 40.800 -0.036 0.000 1.449 180 D HN 0.298 nan 8.370 nan 0.000 0.610 181 P HA 0.230 nan 4.420 nan 0.000 0.274 181 P C 0.338 177.640 177.300 0.003 0.000 1.256 181 P CA -0.398 62.772 63.100 0.117 0.000 0.795 181 P CB 1.395 33.242 31.700 0.245 0.000 1.038 182 M N -1.267 118.334 119.600 0.002 0.000 2.447 182 M HA 0.251 4.731 4.480 -0.000 0.000 0.255 182 M C 0.274 176.517 176.300 -0.097 0.000 1.289 182 M CA 0.569 55.840 55.300 -0.048 0.000 1.128 182 M CB 0.424 33.019 32.600 -0.009 0.000 1.540 182 M HN 0.229 nan 8.290 nan 0.000 0.557 183 M N 1.067 120.628 119.600 -0.064 0.000 2.255 183 M HA 0.505 4.985 4.480 -0.000 0.000 0.275 183 M C -2.065 174.107 176.300 -0.212 0.000 1.050 183 M CA -0.291 54.885 55.300 -0.207 0.000 0.978 183 M CB 1.971 34.481 32.600 -0.150 0.000 1.761 183 M HN 0.033 nan 8.290 nan 0.000 0.479 184 I N 4.573 124.920 120.570 -0.372 0.000 2.362 184 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 184 I C -1.256 174.592 176.117 -0.448 0.000 0.994 184 I CA -0.794 60.373 61.300 -0.222 0.000 1.158 184 I CB 1.240 39.124 38.000 -0.193 0.000 1.315 184 I HN 0.582 nan 8.210 nan 0.000 0.451 185 Y N 6.498 126.683 120.300 -0.192 0.000 2.454 185 Y HA 0.390 4.940 4.550 -0.000 0.000 0.345 185 Y C -0.192 175.618 175.900 -0.151 0.000 0.970 185 Y CA -0.644 57.282 58.100 -0.289 0.000 1.204 185 Y CB 0.591 38.565 38.460 -0.809 0.000 1.122 185 Y HN 0.340 nan 8.280 nan 0.000 0.514 186 L N 3.355 124.583 121.223 0.009 0.000 2.375 186 L HA 0.674 5.014 4.340 -0.000 0.000 0.268 186 L C -0.445 176.481 176.870 0.094 0.000 1.058 186 L CA -1.174 53.693 54.840 0.046 0.000 0.803 186 L CB 1.787 43.836 42.059 -0.016 0.000 1.212 186 L HN 0.346 nan 8.230 nan 0.000 0.451 187 V N 3.115 123.102 119.914 0.123 0.000 2.674 187 V HA 0.396 4.516 4.120 -0.000 0.000 0.279 187 V C -1.532 174.650 176.094 0.147 0.000 1.051 187 V CA -0.555 61.811 62.300 0.110 0.000 0.912 187 V CB 1.067 32.932 31.823 0.069 0.000 1.044 187 V HN 0.769 nan 8.190 nan 0.000 0.464 188 W N 6.750 128.042 121.300 -0.014 0.000 2.449 188 W HA 0.844 5.504 4.660 -0.000 0.000 0.331 188 W C -0.941 175.570 176.519 -0.013 0.000 1.119 188 W CA -0.834 56.498 57.345 -0.021 0.000 1.240 188 W CB 1.097 30.527 29.460 -0.051 0.000 1.251 188 W HN 0.548 nan 8.180 nan 0.000 0.576 189 R N 1.645 122.162 120.500 0.028 0.000 2.922 189 R HA 0.588 4.928 4.340 -0.000 0.000 0.256 189 R C -0.710 175.617 176.300 0.045 0.000 1.138 189 R CA -1.409 54.598 56.100 -0.155 0.000 0.995 189 R CB 2.223 32.475 30.300 -0.080 0.000 1.226 189 R HN 0.417 nan 8.270 nan 0.000 0.481 190 R N 0.887 121.381 120.500 -0.011 0.000 2.338 190 R HA 0.397 4.737 4.340 -0.000 0.000 0.317 190 R C -0.375 175.964 176.300 0.064 0.000 0.968 190 R CA -0.474 55.673 56.100 0.079 0.000 0.849 190 R CB 1.103 31.446 30.300 0.072 0.000 1.128 190 R HN 0.447 nan 8.270 nan 0.000 0.448 191 I N 3.555 124.164 120.570 0.065 0.000 2.278 191 I HA -0.015 4.155 4.170 -0.000 0.000 0.300 191 I C 1.281 177.519 176.117 0.202 0.000 1.174 191 I CA 0.033 61.389 61.300 0.093 0.000 1.347 191 I CB 0.607 38.622 38.000 0.026 0.000 1.473 191 I HN 0.638 nan 8.210 nan 0.000 0.595 192 E N 4.203 124.503 120.200 0.166 0.000 2.097 192 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 192 E C 0.708 177.441 176.600 0.222 0.000 1.000 192 E CA 1.425 57.930 56.400 0.174 0.000 0.804 192 E CB 0.163 29.921 29.700 0.097 0.000 0.740 192 E HN 0.585 nan 8.360 nan 0.000 0.454 193 N N -0.346 118.481 118.700 0.212 0.000 2.573 193 N HA 0.155 4.895 4.740 -0.000 0.000 0.262 193 N C -1.360 174.285 175.510 0.226 0.000 1.029 193 N CA -0.343 52.793 53.050 0.143 0.000 0.882 193 N CB 0.375 38.900 38.487 0.064 0.000 1.204 193 N HN -0.045 nan 8.380 nan 0.000 0.519 194 F N 1.532 121.523 119.950 0.069 0.000 2.639 194 F HA 0.875 5.402 4.527 -0.000 0.000 0.339 194 F C -0.293 175.560 175.800 0.089 0.000 1.071 194 F CA -1.345 56.710 58.000 0.092 0.000 0.994 194 F CB 0.375 39.456 39.000 0.134 0.000 1.341 194 F HN 0.199 nan 8.300 nan 0.000 0.498 195 A N 2.416 125.383 122.820 0.246 0.000 2.304 195 A HA 0.699 5.019 4.320 -0.000 0.000 0.301 195 A C -0.247 177.457 177.584 0.202 0.000 1.132 195 A CA -0.735 51.376 52.037 0.123 0.000 0.819 195 A CB 0.481 19.570 19.000 0.149 0.000 1.094 195 A HN 0.736 nan 8.150 nan 0.000 0.492 196 M N 1.048 120.677 119.600 0.048 0.000 2.494 196 M HA 0.382 4.862 4.480 -0.000 0.000 0.300 196 M C 1.657 178.024 176.300 0.111 0.000 1.189 196 M CA -0.216 55.108 55.300 0.039 0.000 0.982 196 M CB 1.001 33.513 32.600 -0.147 0.000 1.534 196 M HN 0.883 nan 8.290 nan 0.000 0.488 197 A N 0.509 123.390 122.820 0.102 0.000 1.997 197 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 197 A C 1.732 179.364 177.584 0.080 0.000 1.172 197 A CA 1.738 53.860 52.037 0.141 0.000 0.645 197 A CB -0.352 18.711 19.000 0.104 0.000 0.813 197 A HN 0.789 nan 8.150 nan 0.000 0.454 198 Q N -2.831 116.986 119.800 0.027 0.000 2.339 198 Q HA 0.205 4.545 4.340 -0.000 0.000 0.205 198 Q C 1.497 177.507 176.000 0.018 0.000 0.925 198 Q CA 1.199 57.011 55.803 0.014 0.000 0.898 198 Q CB 0.509 29.238 28.738 -0.015 0.000 1.013 198 Q HN 0.980 nan 8.270 nan 0.000 0.504 199 G N 1.400 110.210 108.800 0.016 0.000 2.318 199 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.172 199 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.172 199 G C -0.049 174.843 174.900 -0.012 0.000 1.002 199 G CA -0.091 45.019 45.100 0.017 0.000 0.697 199 G HN 0.489 nan 8.290 nan 0.000 0.483 200 N N 0.892 119.566 118.700 -0.042 0.000 2.525 200 N HA 0.536 5.276 4.740 -0.000 0.000 0.271 200 N C 0.367 175.807 175.510 -0.116 0.000 1.194 200 N CA 0.275 53.281 53.050 -0.073 0.000 0.964 200 N CB 1.105 39.541 38.487 -0.086 0.000 1.126 200 N HN 0.088 nan 8.380 nan 0.000 0.452 201 S N 0.149 115.776 115.700 -0.122 0.000 2.593 201 S HA 0.126 4.596 4.470 -0.000 0.000 0.269 201 S C -0.100 174.325 174.600 -0.291 0.000 1.334 201 S CA -0.378 57.716 58.200 -0.176 0.000 1.015 201 S CB 0.772 63.904 63.200 -0.113 0.000 0.912 201 S HN 0.736 nan 8.310 nan 0.000 0.541 202 Q N 0.715 120.227 119.800 -0.480 0.000 2.377 202 Q HA 0.474 4.814 4.340 -0.000 0.000 0.279 202 Q C -1.795 173.899 176.000 -0.511 0.000 1.049 202 Q CA -0.519 54.913 55.803 -0.618 0.000 0.825 202 Q CB 1.568 29.667 28.738 -1.065 0.000 1.401 202 Q HN 0.517 nan 8.270 nan 0.000 0.404 203 Q N 0.427 120.105 119.800 -0.202 0.000 2.282 203 Q HA 0.614 4.954 4.340 -0.000 0.000 0.260 203 Q C -1.165 174.953 176.000 0.197 0.000 0.964 203 Q CA -0.224 55.590 55.803 0.018 0.000 0.880 203 Q CB 2.173 30.916 28.738 0.009 0.000 1.286 203 Q HN 0.638 nan 8.270 nan 0.000 0.445 204 T N 3.896 118.629 114.554 0.298 0.000 2.738 204 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 204 T C -0.553 174.241 174.700 0.156 0.000 0.962 204 T CA -0.719 61.550 62.100 0.280 0.000 0.972 204 T CB 0.515 69.540 68.868 0.261 0.000 0.928 204 T HN 0.309 nan 8.240 nan 0.000 0.474 205 Q N 1.930 121.803 119.800 0.123 0.000 2.327 205 Q HA 0.425 4.765 4.340 -0.000 0.000 0.254 205 Q C 0.145 176.194 176.000 0.081 0.000 0.952 205 Q CA -0.370 55.483 55.803 0.083 0.000 0.884 205 Q CB 0.851 29.628 28.738 0.064 0.000 1.224 205 Q HN 0.814 nan 8.270 nan 0.000 0.422 206 A N 1.090 123.949 122.820 0.065 0.000 2.522 206 A HA 0.454 4.774 4.320 -0.000 0.000 0.256 206 A C 1.055 178.677 177.584 0.064 0.000 1.086 206 A CA 0.881 52.956 52.037 0.063 0.000 0.763 206 A CB -0.324 18.702 19.000 0.043 0.000 1.024 206 A HN 0.884 nan 8.150 nan 0.000 0.502 207 G N 1.484 110.334 108.800 0.083 0.000 3.578 207 G HA2 0.040 4.000 3.960 -0.000 0.000 0.220 207 G HA3 0.040 4.000 3.960 -0.000 0.000 0.220 207 G C 0.058 175.006 174.900 0.080 0.000 0.933 207 G CA 0.043 45.187 45.100 0.072 0.000 0.847 207 G HN 1.043 nan 8.290 nan 0.000 0.612 208 V N 2.612 122.590 119.914 0.106 0.000 2.740 208 V HA 0.519 4.639 4.120 -0.000 0.000 0.303 208 V C 0.827 176.979 176.094 0.097 0.000 1.054 208 V CA 0.993 63.341 62.300 0.080 0.000 1.106 208 V CB 1.086 32.976 31.823 0.111 0.000 0.957 208 V HN 0.759 nan 8.190 nan 0.000 0.486 209 T N 1.275 115.788 114.554 -0.069 0.000 2.881 209 T HA 0.680 5.030 4.350 -0.000 0.000 0.290 209 T C -0.988 173.450 174.700 -0.438 0.000 1.000 209 T CA -0.692 61.324 62.100 -0.140 0.000 0.978 209 T CB 1.528 70.366 68.868 -0.051 0.000 0.997 209 T HN 0.312 nan 8.240 nan 0.000 0.443 210 V N 3.822 123.289 119.914 -0.744 0.000 2.357 210 V HA 0.674 4.794 4.120 -0.000 0.000 0.284 210 V C 0.176 175.987 176.094 -0.470 0.000 1.018 210 V CA -0.701 61.066 62.300 -0.888 0.000 0.841 210 V CB 1.252 31.994 31.823 -1.802 0.000 0.991 210 V HN 1.167 nan 8.190 nan 0.000 0.437 211 S N 4.393 119.911 115.700 -0.303 0.000 2.473 211 S HA 0.785 5.255 4.470 -0.000 0.000 0.307 211 S C -0.806 173.688 174.600 -0.177 0.000 1.094 211 S CA -0.754 57.348 58.200 -0.163 0.000 1.070 211 S CB 1.817 64.975 63.200 -0.070 0.000 1.019 211 S HN 0.333 nan 8.310 nan 0.000 0.480 212 V N 2.771 122.586 119.914 -0.166 0.000 2.439 212 V HA 0.633 4.753 4.120 -0.000 0.000 0.282 212 V C 1.475 177.519 176.094 -0.085 0.000 1.039 212 V CA 0.148 62.331 62.300 -0.196 0.000 0.913 212 V CB 0.459 32.152 31.823 -0.217 0.000 0.983 212 V HN 1.472 nan 8.190 nan 0.000 0.460 213 G N 3.394 112.160 108.800 -0.057 0.000 2.352 213 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.295 213 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.295 213 G C 1.169 176.054 174.900 -0.026 0.000 0.991 213 G CA 1.232 46.325 45.100 -0.011 0.000 0.796 213 G HN 2.135 nan 8.290 nan 0.000 0.511 214 G N -2.828 105.947 108.800 -0.041 0.000 2.436 214 G HA2 0.021 3.981 3.960 -0.000 0.000 0.204 214 G HA3 0.021 3.981 3.960 -0.000 0.000 0.204 214 G C 0.655 175.541 174.900 -0.023 0.000 1.026 214 G CA 0.629 45.708 45.100 -0.035 0.000 0.658 214 G HN 1.787 nan 8.290 nan 0.000 0.499 215 V N 2.181 122.084 119.914 -0.019 0.000 2.583 215 V HA 0.559 4.679 4.120 -0.000 0.000 0.287 215 V C 0.064 176.150 176.094 -0.014 0.000 1.051 215 V CA 0.059 62.354 62.300 -0.008 0.000 1.010 215 V CB 1.368 33.192 31.823 0.003 0.000 0.988 215 V HN 0.382 nan 8.190 nan 0.000 0.478 216 D N 6.059 126.460 120.400 0.001 0.000 2.351 216 D HA 0.341 4.981 4.640 -0.000 0.000 0.251 216 D C -0.249 176.081 176.300 0.049 0.000 1.137 216 D CA -0.109 53.896 54.000 0.009 0.000 0.879 216 D CB 0.580 41.395 40.800 0.025 0.000 1.181 216 D HN 0.393 nan 8.370 nan 0.000 0.448 217 M N 2.523 122.172 119.600 0.082 0.000 2.508 217 M HA 0.397 4.877 4.480 -0.000 0.000 0.327 217 M C 0.290 176.824 176.300 0.389 0.000 1.160 217 M CA -0.592 54.820 55.300 0.187 0.000 0.980 217 M CB 1.681 34.384 32.600 0.171 0.000 1.693 217 M HN 0.302 nan 8.290 nan 0.000 0.452 218 R N 0.624 121.276 120.500 0.254 0.000 2.679 218 R HA 0.623 4.963 4.340 -0.000 0.000 0.269 218 R C -0.042 176.216 176.300 -0.069 0.000 1.076 218 R CA -0.303 55.879 56.100 0.138 0.000 1.160 218 R CB 0.641 30.955 30.300 0.023 0.000 1.054 218 R HN 0.833 nan 8.270 nan 0.000 0.507 219 A N 0.286 122.769 122.820 -0.563 0.000 2.310 219 A HA 0.511 4.831 4.320 -0.000 0.000 0.299 219 A C 0.962 178.200 177.584 -0.576 0.000 1.147 219 A CA 0.274 51.546 52.037 -1.275 0.000 0.818 219 A CB 0.809 18.826 19.000 -1.638 0.000 1.096 219 A HN 0.843 nan 8.150 nan 0.000 0.495 220 G N 0.565 109.089 108.800 -0.461 0.000 2.179 220 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 220 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 220 G C 0.308 175.139 174.900 -0.116 0.000 0.977 220 G CA 0.732 45.701 45.100 -0.219 0.000 0.641 220 G HN 0.857 nan 8.290 nan 0.000 0.533 221 R N -0.094 120.343 120.500 -0.105 0.000 2.532 221 R HA 0.735 5.075 4.340 -0.000 0.000 0.295 221 R C 0.729 177.048 176.300 0.033 0.000 0.968 221 R CA -0.797 55.293 56.100 -0.017 0.000 0.916 221 R CB 0.734 31.034 30.300 -0.000 0.000 1.124 221 R HN 0.282 nan 8.270 nan 0.000 0.463 222 I N 3.861 124.470 120.570 0.064 0.000 2.634 222 I HA 0.166 4.336 4.170 -0.000 0.000 0.284 222 I C -0.124 176.064 176.117 0.118 0.000 1.124 222 I CA 0.152 61.514 61.300 0.103 0.000 1.417 222 I CB 0.460 38.537 38.000 0.129 0.000 1.396 222 I HN 0.366 nan 8.210 nan 0.000 0.571 223 I N 5.059 125.698 120.570 0.116 0.000 2.466 223 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 223 I C 0.082 176.217 176.117 0.030 0.000 1.026 223 I CA -0.340 61.010 61.300 0.084 0.000 1.078 223 I CB 1.911 39.945 38.000 0.056 0.000 1.249 223 I HN 0.571 nan 8.210 nan 0.000 0.429 224 A N 5.795 128.626 122.820 0.018 0.000 2.437 224 A HA 0.336 4.656 4.320 -0.000 0.000 0.303 224 A C -1.201 176.331 177.584 -0.086 0.000 1.324 224 A CA -0.127 51.806 52.037 -0.173 0.000 0.983 224 A CB -0.294 18.703 19.000 -0.004 0.000 1.142 224 A HN 0.685 nan 8.150 nan 0.000 0.541 225 W N 4.278 125.335 121.300 -0.405 0.000 2.429 225 W HA 0.376 5.036 4.660 -0.000 0.000 0.314 225 W C 0.378 176.725 176.519 -0.286 0.000 1.062 225 W CA -1.369 55.793 57.345 -0.304 0.000 1.211 225 W CB 1.199 30.459 29.460 -0.333 0.000 1.305 225 W HN 0.795 nan 8.180 nan 0.000 0.476 226 D N 2.910 123.045 120.400 -0.442 0.000 2.363 226 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 226 D C 1.553 177.323 176.300 -0.884 0.000 1.020 226 D CA 0.811 54.503 54.000 -0.513 0.000 0.892 226 D CB -0.129 40.525 40.800 -0.244 0.000 0.900 226 D HN 0.812 nan 8.370 nan 0.000 0.531 227 G N 0.888 108.475 108.800 -2.021 0.000 2.220 227 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.269 227 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.269 227 G C 1.209 175.516 174.900 -0.988 0.000 0.977 227 G CA 0.592 44.440 45.100 -2.087 0.000 0.634 227 G HN 0.377 nan 8.290 nan 0.000 0.539 228 Q N -0.306 119.185 119.800 -0.516 0.000 2.423 228 Q HA 0.508 4.848 4.340 -0.000 0.000 0.231 228 Q C 1.823 177.898 176.000 0.125 0.000 0.894 228 Q CA 0.876 56.612 55.803 -0.110 0.000 0.938 228 Q CB -0.095 28.579 28.738 -0.106 0.000 1.079 228 Q HN 0.985 nan 8.270 nan 0.000 0.552 229 A N 1.410 124.390 122.820 0.267 0.000 2.429 229 A HA 0.434 4.754 4.320 -0.000 0.000 0.242 229 A C 0.090 177.860 177.584 0.310 0.000 1.088 229 A CA 0.381 52.598 52.037 0.300 0.000 0.784 229 A CB 0.026 19.206 19.000 0.300 0.000 1.038 229 A HN 0.246 nan 8.150 nan 0.000 0.501 230 A N 0.579 123.465 122.820 0.110 0.000 2.410 230 A HA 0.446 4.766 4.320 -0.000 0.000 0.292 230 A C -0.036 177.491 177.584 -0.094 0.000 1.232 230 A CA -0.278 51.774 52.037 0.024 0.000 0.893 230 A CB -0.605 18.379 19.000 -0.025 0.000 1.131 230 A HN 1.266 nan 8.150 nan 0.000 0.530 231 L N 4.292 125.397 121.223 -0.196 0.000 2.401 231 L HA 0.301 4.641 4.340 -0.000 0.000 0.283 231 L C -0.210 176.549 176.870 -0.186 0.000 1.151 231 L CA 0.150 54.742 54.840 -0.413 0.000 0.942 231 L CB -0.696 40.933 42.059 -0.717 0.000 1.283 231 L HN 0.683 nan 8.230 nan 0.000 0.442 232 H N 2.775 121.683 119.070 -0.270 0.000 2.488 232 H HA 0.653 5.209 4.556 -0.000 0.000 0.322 232 H C -1.037 174.131 175.328 -0.267 0.000 1.078 232 H CA -0.498 55.421 56.048 -0.215 0.000 1.260 232 H CB 1.254 30.922 29.762 -0.156 0.000 1.425 232 H HN 0.340 nan 8.280 nan 0.000 0.471 233 V N 6.201 125.744 119.914 -0.618 0.000 2.513 233 V HA 0.558 4.678 4.120 -0.000 0.000 0.299 233 V C 0.004 175.746 176.094 -0.586 0.000 1.035 233 V CA -0.869 61.101 62.300 -0.549 0.000 0.889 233 V CB 1.690 33.257 31.823 -0.427 0.000 0.988 233 V HN 0.757 nan 8.190 nan 0.000 0.440 234 R N 2.395 122.659 120.500 -0.394 0.000 2.686 234 R HA 0.496 4.836 4.340 -0.000 0.000 0.286 234 R C -0.869 175.342 176.300 -0.149 0.000 0.969 234 R CA -0.775 55.171 56.100 -0.256 0.000 0.898 234 R CB 1.817 32.019 30.300 -0.164 0.000 1.183 234 R HN 0.665 nan 8.270 nan 0.000 0.456 235 N N 2.997 121.643 118.700 -0.091 0.000 2.804 235 N HA 0.196 4.936 4.740 -0.000 0.000 0.251 235 N C -2.077 173.428 175.510 -0.008 0.000 1.250 235 N CA -2.185 50.845 53.050 -0.034 0.000 0.820 235 N CB 1.133 39.612 38.487 -0.014 0.000 1.156 235 N HN 0.323 nan 8.380 nan 0.000 0.512 236 P HA -0.010 nan 4.420 nan 0.000 0.233 236 P C 0.462 177.772 177.300 0.018 0.000 1.167 236 P CA 0.336 63.441 63.100 0.008 0.000 0.770 236 P CB 0.295 32.000 31.700 0.009 0.000 0.837 237 T N 1.435 116.005 114.554 0.027 0.000 2.926 237 T HA 0.053 4.403 4.350 -0.000 0.000 0.307 237 T C 1.033 175.752 174.700 0.032 0.000 1.059 237 T CA 0.003 62.123 62.100 0.034 0.000 1.122 237 T CB 0.241 69.139 68.868 0.050 0.000 0.972 237 T HN -0.028 nan 8.240 nan 0.000 0.545 238 Q N 2.955 122.771 119.800 0.026 0.000 2.247 238 Q HA 0.250 4.590 4.340 -0.000 0.000 0.234 238 Q C 0.136 176.147 176.000 0.018 0.000 0.899 238 Q CA 0.385 56.200 55.803 0.019 0.000 0.951 238 Q CB 0.119 28.863 28.738 0.010 0.000 1.057 238 Q HN 0.617 nan 8.270 nan 0.000 0.444 239 Q N -0.429 119.391 119.800 0.034 0.000 2.626 239 Q HA 0.338 4.678 4.340 -0.000 0.000 0.300 239 Q C -0.934 175.112 176.000 0.076 0.000 0.988 239 Q CA -0.845 54.980 55.803 0.036 0.000 0.761 239 Q CB 1.497 30.261 28.738 0.043 0.000 1.494 239 Q HN 0.189 nan 8.270 nan 0.000 0.439 240 N N -0.207 118.540 118.700 0.078 0.000 2.530 240 N HA 0.490 5.230 4.740 -0.000 0.000 0.273 240 N C -1.186 174.541 175.510 0.361 0.000 1.173 240 N CA 0.050 53.206 53.050 0.177 0.000 0.967 240 N CB 1.006 39.442 38.487 -0.084 0.000 1.109 240 N HN 0.501 nan 8.380 nan 0.000 0.453 241 A N 1.858 124.884 122.820 0.344 0.000 2.475 241 A HA 0.718 5.038 4.320 -0.000 0.000 0.301 241 A C -1.040 176.500 177.584 -0.073 0.000 1.059 241 A CA -0.619 51.519 52.037 0.168 0.000 0.710 241 A CB 1.186 20.255 19.000 0.115 0.000 1.288 241 A HN 0.579 nan 8.150 nan 0.000 0.408 242 M N 2.295 121.678 119.600 -0.363 0.000 2.263 242 M HA 0.488 4.968 4.480 -0.000 0.000 0.295 242 M C -1.040 175.136 176.300 -0.207 0.000 1.028 242 M CA -0.791 54.244 55.300 -0.442 0.000 0.921 242 M CB 2.172 34.244 32.600 -0.881 0.000 1.601 242 M HN 0.692 nan 8.290 nan 0.000 0.440 243 V N 1.444 121.287 119.914 -0.118 0.000 2.604 243 V HA 0.673 4.793 4.120 -0.000 0.000 0.305 243 V C -0.878 175.218 176.094 0.003 0.000 1.043 243 V CA -0.810 61.501 62.300 0.018 0.000 0.888 243 V CB 1.605 33.498 31.823 0.116 0.000 0.995 243 V HN 0.945 nan 8.190 nan 0.000 0.429 244 Q N 3.805 123.642 119.800 0.061 0.000 2.290 244 Q HA 0.782 5.122 4.340 -0.000 0.000 0.259 244 Q C -1.202 174.869 176.000 0.117 0.000 0.941 244 Q CA -0.654 55.177 55.803 0.046 0.000 0.912 244 Q CB 2.199 30.959 28.738 0.036 0.000 1.244 244 Q HN 0.793 nan 8.270 nan 0.000 0.441 245 I N 2.596 123.226 120.570 0.100 0.000 2.354 245 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 245 I C -0.380 175.839 176.117 0.170 0.000 0.989 245 I CA -0.732 60.667 61.300 0.164 0.000 1.188 245 I CB 1.879 39.976 38.000 0.161 0.000 1.342 245 I HN 0.702 nan 8.210 nan 0.000 0.457 246 Q N 5.427 125.331 119.800 0.173 0.000 2.312 246 Q HA 0.460 4.800 4.340 -0.000 0.000 0.263 246 Q C -1.486 174.620 176.000 0.177 0.000 0.995 246 Q CA -0.698 55.210 55.803 0.176 0.000 0.853 246 Q CB 2.540 31.363 28.738 0.142 0.000 1.300 246 Q HN 0.492 nan 8.270 nan 0.000 0.448 247 V N 5.671 125.708 119.914 0.205 0.000 2.284 247 V HA 0.036 4.156 4.120 -0.000 0.000 0.260 247 V C 1.074 177.294 176.094 0.210 0.000 1.084 247 V CA 0.003 62.402 62.300 0.166 0.000 0.894 247 V CB 0.616 32.509 31.823 0.116 0.000 1.119 247 V HN 0.821 nan 8.190 nan 0.000 0.484 248 V N 6.575 126.597 119.914 0.182 0.000 2.392 248 V HA -0.022 4.098 4.120 -0.000 0.000 0.249 248 V C 0.422 176.763 176.094 0.411 0.000 1.059 248 V CA 2.255 64.705 62.300 0.250 0.000 1.051 248 V CB -0.291 31.668 31.823 0.227 0.000 0.658 248 V HN 0.872 nan 8.190 nan 0.000 0.455 249 F N -1.763 118.373 119.950 0.310 0.000 2.793 249 F HA 0.581 5.108 4.527 -0.000 0.000 0.316 249 F C -1.328 174.812 175.800 0.567 0.000 1.147 249 F CA -1.571 56.656 58.000 0.378 0.000 0.930 249 F CB 0.254 39.369 39.000 0.192 0.000 1.277 249 F HN 0.157 nan 8.300 nan 0.000 0.443 250 Y N 1.684 122.257 120.300 0.455 0.000 2.669 250 Y HA 0.904 5.454 4.550 -0.000 0.000 0.335 250 Y C -1.171 174.969 175.900 0.400 0.000 1.116 250 Y CA -2.777 55.544 58.100 0.368 0.000 1.081 250 Y CB 1.222 39.852 38.460 0.283 0.000 1.297 250 Y HN 0.903 nan 8.280 nan 0.000 0.484 251 I N 0.771 121.466 120.570 0.209 0.000 2.582 251 I HA 0.908 5.078 4.170 -0.000 0.000 0.292 251 I C -0.826 175.283 176.117 -0.013 0.000 1.066 251 I CA -0.811 60.511 61.300 0.036 0.000 1.053 251 I CB 2.340 40.456 38.000 0.192 0.000 1.241 251 I HN 0.836 nan 8.210 nan 0.000 0.421 252 S N 4.805 120.448 115.700 -0.094 0.000 2.685 252 S HA 0.578 5.048 4.470 -0.000 0.000 0.282 252 S C -0.145 174.445 174.600 -0.017 0.000 1.159 252 S CA -1.021 57.153 58.200 -0.043 0.000 0.833 252 S CB 2.079 65.244 63.200 -0.058 0.000 1.151 252 S HN 0.763 nan 8.310 nan 0.000 0.485 253 M N 1.695 121.299 119.600 0.007 0.000 2.866 253 M HA 0.252 4.732 4.480 -0.000 0.000 0.231 253 M C -0.861 175.505 176.300 0.110 0.000 1.302 253 M CA 0.085 55.424 55.300 0.065 0.000 1.083 253 M CB -0.835 31.794 32.600 0.049 0.000 1.499 253 M HN 0.500 nan 8.290 nan 0.000 0.451 254 D N 1.601 122.031 120.400 0.050 0.000 2.168 254 D HA 0.230 4.870 4.640 -0.000 0.000 0.246 254 D C 0.023 176.352 176.300 0.048 0.000 1.050 254 D CA -0.336 53.699 54.000 0.057 0.000 0.857 254 D CB 1.429 42.236 40.800 0.011 0.000 1.169 254 D HN -0.047 nan 8.370 nan 0.000 0.453 255 K N 1.415 121.854 120.400 0.066 0.000 2.451 255 K HA 0.121 4.441 4.320 -0.000 0.000 0.280 255 K C 0.718 177.338 176.600 0.035 0.000 1.020 255 K CA 0.053 56.367 56.287 0.045 0.000 1.008 255 K CB 0.396 32.920 32.500 0.041 0.000 0.917 255 K HN 0.558 nan 8.250 nan 0.000 0.478 256 T N -1.425 113.139 114.554 0.015 0.000 2.844 256 T HA 0.339 4.689 4.350 -0.000 0.000 0.274 256 T C 1.000 175.709 174.700 0.015 0.000 0.991 256 T CA -0.847 61.251 62.100 -0.004 0.000 0.983 256 T CB 0.542 69.384 68.868 -0.045 0.000 1.310 256 T HN 0.212 nan 8.240 nan 0.000 0.596 257 L N 0.550 121.775 121.223 0.002 0.000 2.599 257 L HA 0.347 4.687 4.340 -0.000 0.000 0.230 257 L C 1.090 177.979 176.870 0.031 0.000 1.141 257 L CA 0.870 55.726 54.840 0.026 0.000 0.877 257 L CB -1.108 40.961 42.059 0.017 0.000 1.009 257 L HN 0.626 nan 8.230 nan 0.000 0.447 258 N N -1.482 117.224 118.700 0.010 0.000 2.321 258 N HA 0.014 4.754 4.740 -0.000 0.000 0.242 258 N C 1.335 176.855 175.510 0.016 0.000 1.141 258 N CA -0.131 52.922 53.050 0.004 0.000 0.864 258 N CB 0.383 38.852 38.487 -0.030 0.000 1.100 258 N HN 0.423 nan 8.380 nan 0.000 0.510 259 Q N -0.335 119.494 119.800 0.049 0.000 2.187 259 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 259 Q C -0.228 175.838 176.000 0.110 0.000 0.957 259 Q CA 0.863 56.701 55.803 0.059 0.000 0.857 259 Q CB 0.073 28.846 28.738 0.057 0.000 0.929 259 Q HN 0.411 nan 8.270 nan 0.000 0.453 260 Y N 1.837 122.130 120.300 -0.012 0.000 2.386 260 Y HA 0.387 4.937 4.550 -0.000 0.000 0.334 260 Y C -2.697 173.201 175.900 -0.004 0.000 1.002 260 Y CA -3.097 54.997 58.100 -0.009 0.000 1.068 260 Y CB 1.808 40.264 38.460 -0.007 0.000 1.203 260 Y HN -0.061 nan 8.280 nan 0.000 0.443 261 P HA -0.027 nan 4.420 nan 0.000 0.257 261 P C 0.267 177.558 177.300 -0.013 0.000 1.162 261 P CA 1.835 64.808 63.100 -0.213 0.000 0.762 261 P CB 0.454 31.944 31.700 -0.349 0.000 0.753 262 A N 2.614 125.450 122.820 0.027 0.000 2.816 262 A HA -0.250 4.070 4.320 -0.000 0.000 0.270 262 A C 1.432 179.099 177.584 0.138 0.000 1.413 262 A CA 1.014 53.093 52.037 0.069 0.000 0.866 262 A CB -2.472 16.561 19.000 0.055 0.000 1.032 262 A HN 0.615 nan 8.150 nan 0.000 0.642 263 L N -1.020 120.314 121.223 0.185 0.000 2.021 263 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 263 L C 2.686 179.644 176.870 0.146 0.000 1.074 263 L CA 2.794 57.750 54.840 0.193 0.000 0.760 263 L CB -0.575 41.588 42.059 0.173 0.000 0.889 263 L HN 0.739 nan 8.230 nan 0.000 0.433 264 T N -0.239 114.385 114.554 0.117 0.000 2.607 264 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 264 T C 1.875 176.670 174.700 0.158 0.000 1.049 264 T CA 1.550 63.719 62.100 0.114 0.000 1.162 264 T CB -0.661 68.245 68.868 0.063 0.000 0.863 264 T HN 0.559 nan 8.240 nan 0.000 0.424 265 A N 1.871 124.766 122.820 0.125 0.000 1.948 265 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 265 A C 2.354 180.079 177.584 0.236 0.000 1.177 265 A CA 1.637 53.765 52.037 0.152 0.000 0.636 265 A CB -0.480 18.573 19.000 0.089 0.000 0.815 265 A HN 0.443 nan 8.150 nan 0.000 0.449 266 E N 0.061 120.374 120.200 0.189 0.000 2.015 266 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 266 E C 2.054 178.775 176.600 0.202 0.000 0.991 266 E CA 1.257 57.759 56.400 0.170 0.000 0.802 266 E CB -0.624 29.156 29.700 0.133 0.000 0.759 266 E HN 0.731 nan 8.360 nan 0.000 0.447 267 I N 0.929 121.635 120.570 0.227 0.000 2.145 267 I HA -0.308 3.862 4.170 -0.000 0.000 0.244 267 I C 2.487 178.841 176.117 0.396 0.000 1.075 267 I CA 1.428 62.915 61.300 0.312 0.000 1.332 267 I CB -0.433 37.744 38.000 0.295 0.000 1.033 267 I HN -0.005 nan 8.210 nan 0.000 0.410 268 F N 2.026 122.097 119.950 0.201 0.000 2.095 268 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 268 F C 2.365 178.283 175.800 0.197 0.000 1.104 268 F CA 2.247 60.358 58.000 0.184 0.000 1.232 268 F CB -0.705 38.359 39.000 0.106 0.000 0.987 268 F HN 0.106 nan 8.300 nan 0.000 0.475 269 N N 0.191 118.971 118.700 0.134 0.000 2.205 269 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 269 N C 1.714 177.219 175.510 -0.009 0.000 1.015 269 N CA 1.800 54.846 53.050 -0.006 0.000 0.862 269 N CB 0.010 38.554 38.487 0.095 0.000 0.986 269 N HN 0.319 nan 8.380 nan 0.000 0.429 270 V N -0.112 119.856 119.914 0.090 0.000 2.302 270 V HA -0.153 3.967 4.120 -0.000 0.000 0.243 270 V C 1.522 177.674 176.094 0.097 0.000 1.036 270 V CA 1.283 63.655 62.300 0.119 0.000 1.020 270 V CB -1.132 30.680 31.823 -0.018 0.000 0.657 270 V HN 0.243 nan 8.190 nan 0.000 0.453 271 Y N 1.101 121.467 120.300 0.110 0.000 2.639 271 Y HA 0.057 4.607 4.550 -0.000 0.000 0.297 271 Y C 1.790 177.797 175.900 0.179 0.000 1.151 271 Y CA 0.141 58.321 58.100 0.132 0.000 1.335 271 Y CB -0.500 38.030 38.460 0.117 0.000 0.994 271 Y HN 0.147 nan 8.280 nan 0.000 0.548 272 S N 0.062 115.845 115.700 0.138 0.000 2.584 272 S HA -0.043 4.427 4.470 -0.000 0.000 0.270 272 S C 0.888 175.718 174.600 0.384 0.000 1.346 272 S CA -0.542 57.693 58.200 0.057 0.000 1.018 272 S CB 0.449 63.490 63.200 -0.265 0.000 0.899 272 S HN 0.335 nan 8.310 nan 0.000 0.542 273 F N 2.004 122.098 119.950 0.240 0.000 2.123 273 F HA 0.094 4.621 4.527 -0.000 0.000 0.289 273 F C 1.817 177.744 175.800 0.211 0.000 1.099 273 F CA 1.399 59.575 58.000 0.293 0.000 1.234 273 F CB -0.107 39.026 39.000 0.221 0.000 1.034 273 F HN 0.710 nan 8.300 nan 0.000 0.479 274 R N -0.269 120.173 120.500 -0.097 0.000 2.337 274 R HA -0.293 4.047 4.340 -0.000 0.000 0.112 274 R C -0.707 175.315 176.300 -0.465 0.000 0.919 274 R CA 1.977 57.925 56.100 -0.253 0.000 1.731 274 R CB -2.228 27.831 30.300 -0.402 0.000 0.491 274 R HN 0.554 nan 8.270 nan 0.000 0.693 275 D N -1.305 118.589 120.400 -0.843 0.000 2.615 275 D HA 0.278 4.918 4.640 -0.000 0.000 0.267 275 D C 0.176 175.882 176.300 -0.989 0.000 1.236 275 D CA -0.449 53.025 54.000 -0.877 0.000 0.839 275 D CB 0.034 40.710 40.800 -0.207 0.000 1.380 275 D HN 0.326 nan 8.370 nan 0.000 0.433 276 H N -0.386 118.465 119.070 -0.366 0.000 2.321 276 H HA -0.129 4.427 4.556 -0.000 0.000 0.295 276 H C 1.502 176.733 175.328 -0.161 0.000 1.102 276 H CA 2.881 58.864 56.048 -0.108 0.000 1.266 276 H CB -0.496 29.291 29.762 0.041 0.000 1.363 276 H HN 0.507 nan 8.280 nan 0.000 0.492 277 T N 0.913 115.434 114.554 -0.055 0.000 2.607 277 T HA -0.302 4.048 4.350 -0.000 0.000 0.267 277 T C 1.794 176.350 174.700 -0.241 0.000 1.049 277 T CA 1.505 63.501 62.100 -0.174 0.000 1.162 277 T CB -0.700 68.045 68.868 -0.205 0.000 0.863 277 T HN 0.599 nan 8.240 nan 0.000 0.424 278 W N 1.860 122.834 121.300 -0.543 0.000 2.333 278 W HA -0.273 4.387 4.660 -0.000 0.000 0.316 278 W C 2.285 178.542 176.519 -0.437 0.000 1.215 278 W CA 1.777 58.652 57.345 -0.783 0.000 1.278 278 W CB -0.855 27.869 29.460 -1.227 0.000 1.154 278 W HN 0.432 nan 8.180 nan 0.000 0.486 279 H N -0.281 118.372 119.070 -0.696 0.000 2.287 279 H HA -0.196 4.360 4.556 -0.000 0.000 0.292 279 H C 2.522 177.539 175.328 -0.518 0.000 1.068 279 H CA 3.621 59.315 56.048 -0.590 0.000 1.192 279 H CB -0.965 28.627 29.762 -0.284 0.000 1.360 279 H HN 0.148 nan 8.280 nan 0.000 0.516 280 G N 1.201 109.876 108.800 -0.208 0.000 2.469 280 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 280 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 280 G C 1.840 176.567 174.900 -0.288 0.000 1.136 280 G CA 0.883 45.869 45.100 -0.191 0.000 0.759 280 G HN 0.449 nan 8.290 nan 0.000 0.562 281 L N 0.402 121.413 121.223 -0.353 0.000 1.976 281 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 281 L C 2.858 179.448 176.870 -0.467 0.000 1.071 281 L CA 2.175 56.833 54.840 -0.304 0.000 0.746 281 L CB -0.550 41.375 42.059 -0.224 0.000 0.890 281 L HN 0.249 nan 8.230 nan 0.000 0.432 282 R N -0.359 119.609 120.500 -0.885 0.000 2.117 282 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 282 R C 1.924 177.886 176.300 -0.563 0.000 1.143 282 R CA 2.328 57.879 56.100 -0.915 0.000 0.968 282 R CB -0.723 28.701 30.300 -1.461 0.000 0.863 282 R HN 0.444 nan 8.270 nan 0.000 0.444 283 T N 1.063 115.292 114.554 -0.542 0.000 2.614 283 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 283 T C 1.918 176.478 174.700 -0.233 0.000 1.055 283 T CA 1.876 63.752 62.100 -0.373 0.000 1.162 283 T CB -0.546 68.106 68.868 -0.361 0.000 0.863 283 T HN 0.474 nan 8.240 nan 0.000 0.414 284 A N 1.070 123.773 122.820 -0.196 0.000 1.958 284 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 284 A C 2.300 179.826 177.584 -0.096 0.000 1.178 284 A CA 1.549 53.521 52.037 -0.108 0.000 0.642 284 A CB -0.963 17.996 19.000 -0.069 0.000 0.816 284 A HN 0.576 nan 8.150 nan 0.000 0.453 285 I N -1.343 119.142 120.570 -0.142 0.000 2.202 285 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 285 I C 2.634 178.690 176.117 -0.101 0.000 1.091 285 I CA 1.465 62.698 61.300 -0.112 0.000 1.368 285 I CB -0.371 37.542 38.000 -0.145 0.000 1.058 285 I HN 0.263 nan 8.210 nan 0.000 0.410 286 R N 0.741 121.157 120.500 -0.140 0.000 2.237 286 R HA -0.073 4.267 4.340 -0.000 0.000 0.219 286 R C 1.845 178.107 176.300 -0.062 0.000 1.080 286 R CA 0.666 56.702 56.100 -0.106 0.000 0.995 286 R CB -0.349 29.866 30.300 -0.142 0.000 0.875 286 R HN 0.360 nan 8.270 nan 0.000 0.462 287 N N 0.642 119.304 118.700 -0.064 0.000 2.289 287 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 287 N C 1.321 176.819 175.510 -0.020 0.000 1.016 287 N CA 1.066 54.095 53.050 -0.035 0.000 0.872 287 N CB 0.021 38.488 38.487 -0.034 0.000 0.973 287 N HN 0.023 nan 8.380 nan 0.000 0.433 288 R N -0.060 120.426 120.500 -0.023 0.000 2.240 288 R HA 0.105 4.445 4.340 -0.000 0.000 0.203 288 R C 0.685 176.979 176.300 -0.010 0.000 1.011 288 R CA 0.314 56.406 56.100 -0.013 0.000 1.007 288 R CB -0.529 29.764 30.300 -0.012 0.000 0.911 288 R HN 0.342 nan 8.270 nan 0.000 0.468 289 T N -3.604 110.942 114.554 -0.014 0.000 2.912 289 T HA 0.189 4.539 4.350 -0.000 0.000 0.280 289 T C 1.231 175.936 174.700 0.008 0.000 0.989 289 T CA -0.229 61.868 62.100 -0.006 0.000 0.995 289 T CB 1.626 70.486 68.868 -0.014 0.000 1.077 289 T HN 0.167 nan 8.240 nan 0.000 0.531 290 T N -0.759 113.805 114.554 0.017 0.000 3.148 290 T HA 0.183 4.533 4.350 -0.000 0.000 0.253 290 T C 0.701 175.432 174.700 0.051 0.000 1.134 290 T CA -0.244 61.875 62.100 0.032 0.000 1.051 290 T CB -0.309 68.578 68.868 0.032 0.000 0.959 290 T HN 0.332 nan 8.240 nan 0.000 0.525 291 L N 2.984 124.238 121.223 0.051 0.000 2.350 291 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 291 L C -2.137 174.794 176.870 0.102 0.000 1.099 291 L CA -2.667 52.227 54.840 0.090 0.000 0.808 291 L CB 0.206 42.316 42.059 0.085 0.000 1.149 291 L HN 0.052 nan 8.230 nan 0.000 0.442 292 P HA 0.023 nan 4.420 nan 0.000 0.263 292 P C 0.202 177.621 177.300 0.198 0.000 1.195 292 P CA -0.201 62.999 63.100 0.167 0.000 0.762 292 P CB 0.293 32.095 31.700 0.170 0.000 0.799 293 N N 4.037 122.792 118.700 0.091 0.000 2.519 293 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 293 N C 1.032 176.537 175.510 -0.009 0.000 1.062 293 N CA 1.327 54.375 53.050 -0.004 0.000 0.910 293 N CB -0.643 37.816 38.487 -0.046 0.000 0.958 293 N HN 0.596 nan 8.380 nan 0.000 0.445 294 M N -3.445 116.287 119.600 0.219 0.000 2.914 294 M HA 0.318 4.798 4.480 -0.000 0.000 0.482 294 M C -1.186 175.444 176.300 0.549 0.000 1.307 294 M CA -0.222 55.272 55.300 0.323 0.000 0.894 294 M CB 0.558 33.197 32.600 0.064 0.000 1.929 294 M HN -0.176 nan 8.290 nan 0.000 0.649 295 L N 2.887 124.325 121.223 0.357 0.000 2.404 295 L HA 0.621 4.961 4.340 -0.000 0.000 0.272 295 L C -2.514 174.052 176.870 -0.506 0.000 0.980 295 L CA -1.633 53.176 54.840 -0.051 0.000 0.836 295 L CB 2.271 44.348 42.059 0.031 0.000 1.238 295 L HN -0.187 nan 8.230 nan 0.000 0.408 296 P HA -0.078 nan 4.420 nan 0.000 0.252 296 P C -2.155 174.943 177.300 -0.337 0.000 1.147 296 P CA -0.375 62.182 63.100 -0.904 0.000 0.779 296 P CB -0.324 31.078 31.700 -0.497 0.000 0.733 297 P HA -0.079 nan 4.420 nan 0.000 0.263 297 P C 0.694 177.954 177.300 -0.067 0.000 1.175 297 P CA 0.259 63.343 63.100 -0.026 0.000 0.761 297 P CB 0.639 32.388 31.700 0.081 0.000 0.794 298 I N 2.470 122.964 120.570 -0.125 0.000 2.163 298 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 298 I C 1.241 177.129 176.117 -0.382 0.000 1.085 298 I CA 1.603 62.705 61.300 -0.331 0.000 1.347 298 I CB -0.832 36.825 38.000 -0.571 0.000 1.044 298 I HN 0.214 nan 8.210 nan 0.000 0.408 299 F N 2.052 122.054 119.950 0.086 0.000 2.436 299 F HA 0.431 4.958 4.527 -0.000 0.000 0.340 299 F C -1.970 173.869 175.800 0.064 0.000 1.113 299 F CA -3.212 54.842 58.000 0.090 0.000 1.022 299 F CB 0.058 39.107 39.000 0.083 0.000 1.128 299 F HN -0.174 nan 8.300 nan 0.000 0.466 300 P HA 0.136 nan 4.420 nan 0.000 0.268 300 P C -2.579 174.801 177.300 0.134 0.000 1.204 300 P CA -0.867 62.318 63.100 0.142 0.000 0.768 300 P CB 0.239 32.001 31.700 0.102 0.000 0.842 301 P HA 0.050 nan 4.420 nan 0.000 0.272 301 P C 0.643 177.972 177.300 0.047 0.000 1.248 301 P CA 0.117 63.262 63.100 0.075 0.000 0.799 301 P CB 0.313 32.047 31.700 0.057 0.000 0.997 302 N N -1.083 117.631 118.700 0.024 0.000 2.039 302 N HA 0.018 4.758 4.740 -0.000 0.000 0.228 302 N C -1.172 174.315 175.510 -0.038 0.000 1.369 302 N CA -0.162 52.886 53.050 -0.002 0.000 0.806 302 N CB 0.396 38.894 38.487 0.018 0.000 1.190 302 N HN 0.385 nan 8.380 nan 0.000 0.506 303 D N 0.448 120.831 120.400 -0.029 0.000 2.342 303 D HA 0.205 4.845 4.640 -0.000 0.000 0.243 303 D C 0.846 177.114 176.300 -0.054 0.000 1.019 303 D CA -0.614 53.359 54.000 -0.046 0.000 0.864 303 D CB 3.005 43.789 40.800 -0.026 0.000 1.315 303 D HN -0.109 nan 8.370 nan 0.000 0.468 304 R N 1.592 122.052 120.500 -0.068 0.000 2.143 304 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 304 R C 1.029 177.291 176.300 -0.063 0.000 1.126 304 R CA 2.313 58.370 56.100 -0.071 0.000 0.927 304 R CB -0.382 29.876 30.300 -0.069 0.000 0.860 304 R HN 0.542 nan 8.270 nan 0.000 0.433 305 D N -0.083 120.288 120.400 -0.049 0.000 2.170 305 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 305 D C 1.951 178.228 176.300 -0.038 0.000 1.004 305 D CA 1.756 55.733 54.000 -0.040 0.000 0.860 305 D CB -0.211 40.572 40.800 -0.027 0.000 0.931 305 D HN 0.290 nan 8.370 nan 0.000 0.448 306 S N 0.619 116.300 115.700 -0.031 0.000 2.349 306 S HA -0.129 4.341 4.470 -0.000 0.000 0.216 306 S C 2.171 176.748 174.600 -0.037 0.000 1.033 306 S CA 0.609 58.797 58.200 -0.019 0.000 1.021 306 S CB -0.163 63.037 63.200 -0.000 0.000 0.968 306 S HN 0.180 nan 8.310 nan 0.000 0.426 307 I N 1.923 122.458 120.570 -0.058 0.000 2.087 307 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 307 I C 2.352 178.384 176.117 -0.141 0.000 1.054 307 I CA 1.434 62.669 61.300 -0.108 0.000 1.311 307 I CB -1.787 36.121 38.000 -0.153 0.000 1.024 307 I HN 0.278 nan 8.210 nan 0.000 0.402 308 L N 0.415 121.559 121.223 -0.130 0.000 1.963 308 L HA -0.318 4.022 4.340 -0.000 0.000 0.220 308 L C 2.758 179.578 176.870 -0.085 0.000 1.076 308 L CA 2.505 57.274 54.840 -0.118 0.000 0.772 308 L CB -0.597 41.410 42.059 -0.087 0.000 0.892 308 L HN 0.314 nan 8.230 nan 0.000 0.435 309 T N 0.341 114.859 114.554 -0.060 0.000 2.653 309 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 309 T C 1.802 176.478 174.700 -0.039 0.000 1.035 309 T CA 1.936 64.010 62.100 -0.043 0.000 1.154 309 T CB -0.438 68.408 68.868 -0.037 0.000 0.862 309 T HN 0.229 nan 8.240 nan 0.000 0.441 310 L N 0.093 121.290 121.223 -0.043 0.000 1.970 310 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 310 L C 2.562 179.420 176.870 -0.021 0.000 1.071 310 L CA 1.325 56.150 54.840 -0.026 0.000 0.751 310 L CB -0.720 41.333 42.059 -0.010 0.000 0.889 310 L HN 0.224 nan 8.230 nan 0.000 0.432 311 L N -0.930 120.255 121.223 -0.062 0.000 1.990 311 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 311 L C 2.529 179.389 176.870 -0.018 0.000 1.072 311 L CA 1.145 55.950 54.840 -0.058 0.000 0.755 311 L CB -0.612 41.366 42.059 -0.136 0.000 0.889 311 L HN 0.204 nan 8.230 nan 0.000 0.432 312 L N -0.881 120.327 121.223 -0.025 0.000 2.046 312 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 312 L C 2.337 179.222 176.870 0.025 0.000 1.077 312 L CA 1.644 56.480 54.840 -0.007 0.000 0.747 312 L CB -0.837 41.211 42.059 -0.018 0.000 0.896 312 L HN 0.189 nan 8.230 nan 0.000 0.432 313 L N -1.644 119.601 121.223 0.037 0.000 2.056 313 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 313 L C 2.717 179.681 176.870 0.155 0.000 1.078 313 L CA 1.323 56.227 54.840 0.106 0.000 0.749 313 L CB -0.257 41.837 42.059 0.057 0.000 0.901 313 L HN 0.338 nan 8.230 nan 0.000 0.433 314 S N -0.890 114.860 115.700 0.085 0.000 2.359 314 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 314 S C 1.905 176.521 174.600 0.028 0.000 1.039 314 S CA 2.264 60.500 58.200 0.061 0.000 1.042 314 S CB -0.246 62.987 63.200 0.055 0.000 0.915 314 S HN 0.500 nan 8.310 nan 0.000 0.439 315 T N 2.710 117.283 114.554 0.031 0.000 2.674 315 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 315 T C 1.716 176.429 174.700 0.021 0.000 1.039 315 T CA 1.439 63.550 62.100 0.018 0.000 1.150 315 T CB -0.655 68.222 68.868 0.015 0.000 0.864 315 T HN 0.344 nan 8.240 nan 0.000 0.427 316 L N 1.341 122.597 121.223 0.055 0.000 2.261 316 L HA -0.002 4.338 4.340 -0.000 0.000 0.216 316 L C 2.418 179.385 176.870 0.161 0.000 1.114 316 L CA 1.508 56.409 54.840 0.101 0.000 0.777 316 L CB -0.915 41.228 42.059 0.140 0.000 0.910 316 L HN 0.236 nan 8.230 nan 0.000 0.440 317 A N -0.856 121.946 122.820 -0.029 0.000 1.854 317 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 317 A C 1.996 179.409 177.584 -0.284 0.000 1.192 317 A CA 1.624 53.328 52.037 -0.555 0.000 0.611 317 A CB -0.716 17.902 19.000 -0.637 0.000 0.832 317 A HN 0.529 nan 8.150 nan 0.000 0.442 318 D N 0.049 120.370 120.400 -0.131 0.000 2.178 318 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 318 D C 2.070 178.368 176.300 -0.004 0.000 0.980 318 D CA 1.539 55.499 54.000 -0.066 0.000 0.842 318 D CB -0.320 40.460 40.800 -0.033 0.000 0.948 318 D HN 0.264 nan 8.370 nan 0.000 0.472 319 V N 0.829 120.773 119.914 0.050 0.000 2.295 319 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 319 V C 2.265 178.477 176.094 0.196 0.000 1.049 319 V CA 1.324 63.686 62.300 0.103 0.000 1.024 319 V CB -0.833 31.044 31.823 0.091 0.000 0.648 319 V HN 0.126 nan 8.190 nan 0.000 0.447 320 Y N 1.843 122.257 120.300 0.191 0.000 2.114 320 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 320 Y C 2.655 178.495 175.900 -0.099 0.000 1.165 320 Y CA 2.426 60.579 58.100 0.088 0.000 1.148 320 Y CB -0.696 37.740 38.460 -0.039 0.000 0.972 320 Y HN 0.272 nan 8.280 nan 0.000 0.504 321 T N 0.219 114.797 114.554 0.040 0.000 2.622 321 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 321 T C 2.064 176.714 174.700 -0.084 0.000 1.047 321 T CA 2.668 64.750 62.100 -0.031 0.000 1.159 321 T CB -1.174 67.665 68.868 -0.048 0.000 0.863 321 T HN 0.413 nan 8.240 nan 0.000 0.422 322 V N 0.535 120.415 119.914 -0.056 0.000 2.343 322 V HA -0.035 4.085 4.120 -0.000 0.000 0.247 322 V C 2.321 178.368 176.094 -0.080 0.000 1.051 322 V CA 1.532 63.799 62.300 -0.055 0.000 1.036 322 V CB -1.178 30.626 31.823 -0.031 0.000 0.654 322 V HN 0.433 nan 8.190 nan 0.000 0.451 323 L N 0.754 121.921 121.223 -0.093 0.000 2.240 323 L HA 0.136 4.476 4.340 -0.000 0.000 0.211 323 L C 1.575 178.314 176.870 -0.218 0.000 1.106 323 L CA 0.795 55.564 54.840 -0.117 0.000 0.793 323 L CB -0.506 41.525 42.059 -0.048 0.000 0.927 323 L HN 0.591 nan 8.230 nan 0.000 0.446 324 R N -0.279 120.021 120.500 -0.334 0.000 3.092 324 R HA -0.145 4.195 4.340 -0.000 0.000 0.245 324 R C -2.615 173.430 176.300 -0.425 0.000 0.881 324 R CA -0.136 55.713 56.100 -0.417 0.000 0.614 324 R CB -2.318 27.848 30.300 -0.223 0.000 1.128 324 R HN 0.218 nan 8.270 nan 0.000 0.483 325 P HA 0.142 nan 4.420 nan 0.000 0.274 325 P C -0.752 176.402 177.300 -0.243 0.000 1.237 325 P CA 0.025 62.889 63.100 -0.394 0.000 0.793 325 P CB 0.848 32.228 31.700 -0.533 0.000 0.977 326 E N 1.356 121.542 120.200 -0.024 0.000 2.325 326 E HA 0.420 4.770 4.350 -0.000 0.000 0.248 326 E C -1.013 175.693 176.600 0.176 0.000 0.912 326 E CA -0.382 56.008 56.400 -0.017 0.000 0.782 326 E CB 0.687 30.370 29.700 -0.028 0.000 1.264 326 E HN 0.405 nan 8.360 nan 0.000 0.417 327 F N 0.330 120.286 119.950 0.011 0.000 2.686 327 F HA 0.824 5.351 4.527 -0.000 0.000 0.311 327 F C -0.619 175.220 175.800 0.066 0.000 1.128 327 F CA -1.441 56.610 58.000 0.084 0.000 0.946 327 F CB 0.488 39.621 39.000 0.223 0.000 1.336 327 F HN 0.263 nan 8.300 nan 0.000 0.457 328 A N 1.875 124.820 122.820 0.209 0.000 2.272 328 A HA 0.800 5.120 4.320 -0.000 0.000 0.275 328 A C -0.726 176.897 177.584 0.063 0.000 1.096 328 A CA -0.542 51.534 52.037 0.066 0.000 0.822 328 A CB 0.780 19.814 19.000 0.058 0.000 1.088 328 A HN 0.934 nan 8.150 nan 0.000 0.495 329 M N 0.608 120.185 119.600 -0.038 0.000 2.322 329 M HA 0.239 4.719 4.480 -0.000 0.000 0.285 329 M C -1.422 174.842 176.300 -0.060 0.000 1.119 329 M CA -0.453 54.807 55.300 -0.067 0.000 0.953 329 M CB 1.685 34.267 32.600 -0.030 0.000 1.701 329 M HN 0.850 nan 8.290 nan 0.000 0.479 330 H N 2.340 121.446 119.070 0.060 0.000 3.091 330 H HA 0.231 4.787 4.556 -0.000 0.000 0.289 330 H C 1.176 176.517 175.328 0.021 0.000 0.995 330 H CA 1.758 57.828 56.048 0.036 0.000 1.461 330 H CB 0.198 29.981 29.762 0.034 0.000 1.510 330 H HN 0.982 nan 8.280 nan 0.000 0.546 331 G N 2.635 111.516 108.800 0.134 0.000 2.175 331 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 331 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 331 G C -0.046 174.878 174.900 0.039 0.000 0.982 331 G CA 0.123 45.265 45.100 0.071 0.000 0.641 331 G HN 0.557 nan 8.290 nan 0.000 0.527 332 V N 1.447 121.378 119.914 0.027 0.000 2.398 332 V HA 0.535 4.655 4.120 -0.000 0.000 0.286 332 V C -0.040 176.036 176.094 -0.030 0.000 1.026 332 V CA -0.916 61.383 62.300 -0.001 0.000 0.868 332 V CB 1.773 33.592 31.823 -0.007 0.000 0.982 332 V HN 0.315 nan 8.190 nan 0.000 0.443 333 N N 5.135 123.792 118.700 -0.070 0.000 2.626 333 N HA 0.410 5.150 4.740 -0.000 0.000 0.242 333 N C -2.707 172.674 175.510 -0.216 0.000 1.005 333 N CA -1.157 51.832 53.050 -0.100 0.000 0.905 333 N CB 2.232 40.672 38.487 -0.078 0.000 1.128 333 N HN 0.433 nan 8.380 nan 0.000 0.512 334 P HA 0.121 nan 4.420 nan 0.000 0.271 334 P C -0.302 176.885 177.300 -0.187 0.000 1.220 334 P CA -0.135 62.835 63.100 -0.217 0.000 0.768 334 P CB 0.581 32.254 31.700 -0.044 0.000 0.848 335 M N 6.173 125.630 119.600 -0.238 0.000 2.103 335 M HA 0.247 4.727 4.480 -0.000 0.000 0.350 335 M C -1.914 174.451 176.300 0.109 0.000 1.100 335 M CA -2.916 52.361 55.300 -0.039 0.000 1.042 335 M CB 1.031 33.622 32.600 -0.015 0.000 1.368 335 M HN 0.149 nan 8.290 nan 0.000 0.404 336 P HA -0.004 nan 4.420 nan 0.000 0.225 336 P C 0.542 177.883 177.300 0.069 0.000 1.148 336 P CA 0.451 63.594 63.100 0.070 0.000 0.779 336 P CB 0.089 31.810 31.700 0.035 0.000 0.780 337 G N 1.404 110.242 108.800 0.064 0.000 2.225 337 G HA2 0.005 3.965 3.960 -0.000 0.000 0.245 337 G HA3 0.005 3.965 3.960 -0.000 0.000 0.245 337 G C -1.332 173.607 174.900 0.065 0.000 1.249 337 G CA -0.587 44.545 45.100 0.054 0.000 0.919 337 G HN 0.107 nan 8.290 nan 0.000 0.486 338 P HA -0.254 nan 4.420 nan 0.000 0.236 338 P C 0.454 177.790 177.300 0.060 0.000 1.114 338 P CA 1.532 64.660 63.100 0.047 0.000 0.951 338 P CB -0.212 31.509 31.700 0.035 0.000 0.727 339 L N -2.942 118.324 121.223 0.071 0.000 1.714 339 L HA -0.114 4.226 4.340 -0.000 0.000 0.484 339 L C 0.412 177.314 176.870 0.054 0.000 1.002 339 L CA 1.307 56.197 54.840 0.083 0.000 1.207 339 L CB -2.095 40.036 42.059 0.120 0.000 1.513 339 L HN 0.267 nan 8.230 nan 0.000 0.810 340 T N -0.449 114.123 114.554 0.029 0.000 2.887 340 T HA 0.863 5.213 4.350 -0.000 0.000 0.292 340 T C 1.026 175.714 174.700 -0.020 0.000 1.087 340 T CA -0.286 61.820 62.100 0.010 0.000 1.009 340 T CB 1.865 70.736 68.868 0.004 0.000 1.203 340 T HN 1.096 nan 8.240 nan 0.000 0.518 341 A N 0.479 123.289 122.820 -0.017 0.000 2.032 341 A HA 0.167 4.487 4.320 -0.000 0.000 0.221 341 A C 2.450 179.992 177.584 -0.072 0.000 1.165 341 A CA 2.216 54.230 52.037 -0.038 0.000 0.645 341 A CB -1.523 17.465 19.000 -0.021 0.000 0.807 341 A HN 1.281 nan 8.150 nan 0.000 0.453 342 A N 0.362 123.150 122.820 -0.054 0.000 1.832 342 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 342 A C 2.061 179.592 177.584 -0.087 0.000 1.200 342 A CA 1.492 53.495 52.037 -0.057 0.000 0.610 342 A CB -0.739 18.243 19.000 -0.031 0.000 0.842 342 A HN 0.496 nan 8.150 nan 0.000 0.444 343 I N 0.062 120.582 120.570 -0.083 0.000 2.315 343 I HA -0.331 3.839 4.170 -0.000 0.000 0.251 343 I C 2.877 178.815 176.117 -0.298 0.000 1.125 343 I CA 1.121 62.359 61.300 -0.103 0.000 1.392 343 I CB -0.480 37.505 38.000 -0.024 0.000 1.065 343 I HN 0.386 nan 8.210 nan 0.000 0.424 344 A N 1.110 123.683 122.820 -0.411 0.000 1.855 344 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 344 A C 2.371 179.744 177.584 -0.351 0.000 1.191 344 A CA 1.889 53.482 52.037 -0.740 0.000 0.613 344 A CB -0.573 18.160 19.000 -0.446 0.000 0.829 344 A HN 0.312 nan 8.150 nan 0.000 0.442 345 R N 0.304 120.688 120.500 -0.194 0.000 2.112 345 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 345 R C 2.153 178.438 176.300 -0.026 0.000 1.137 345 R CA 2.330 58.365 56.100 -0.108 0.000 0.944 345 R CB -0.966 29.279 30.300 -0.091 0.000 0.857 345 R HN 0.414 nan 8.270 nan 0.000 0.435 346 A N 0.422 123.202 122.820 -0.066 0.000 1.873 346 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 346 A C 2.446 180.013 177.584 -0.028 0.000 1.193 346 A CA 2.314 54.330 52.037 -0.035 0.000 0.629 346 A CB -1.442 17.534 19.000 -0.040 0.000 0.826 346 A HN 0.577 nan 8.150 nan 0.000 0.447 347 A N -1.870 120.867 122.820 -0.138 0.000 2.093 347 A HA -0.130 4.190 4.320 -0.000 0.000 0.222 347 A C 1.172 178.625 177.584 -0.218 0.000 1.162 347 A CA 1.248 53.139 52.037 -0.243 0.000 0.655 347 A CB -0.812 17.833 19.000 -0.593 0.000 0.805 347 A HN 0.582 nan 8.150 nan 0.000 0.461 348 Y N 0.193 120.433 120.300 -0.100 0.000 2.994 348 Y HA 0.372 4.922 4.550 -0.000 0.000 0.393 348 Y C 0.902 176.838 175.900 0.060 0.000 1.118 348 Y CA -0.176 57.961 58.100 0.062 0.000 1.906 348 Y CB -1.219 37.275 38.460 0.057 0.000 1.925 348 Y HN 0.070 nan 8.280 nan 0.000 0.446 349 V N 0.000 119.987 119.914 0.122 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.353 62.300 0.088 0.000 1.235 349 V CB 0.000 31.875 31.823 0.086 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556