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_H 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 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.056 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 D N 0.346 120.685 120.400 -0.102 0.000 2.084 2 D HA -0.080 4.560 4.640 -0.000 0.000 0.196 2 D C 1.619 177.793 176.300 -0.209 0.000 0.985 2 D CA 2.558 56.477 54.000 -0.135 0.000 0.826 2 D CB -0.649 40.073 40.800 -0.131 0.000 0.978 2 D HN 0.657 nan 8.370 nan 0.000 0.456 3 T N 0.570 114.973 114.554 -0.253 0.000 2.653 3 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 3 T C 2.327 176.871 174.700 -0.260 0.000 1.035 3 T CA 1.111 62.974 62.100 -0.394 0.000 1.154 3 T CB -0.850 67.879 68.868 -0.230 0.000 0.862 3 T HN 0.148 nan 8.240 nan 0.000 0.441 4 I N 2.145 122.636 120.570 -0.132 0.000 2.127 4 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 4 I C 3.269 179.341 176.117 -0.074 0.000 1.075 4 I CA 1.488 62.746 61.300 -0.070 0.000 1.334 4 I CB -0.764 37.210 38.000 -0.044 0.000 1.040 4 I HN 0.395 nan 8.210 nan 0.000 0.405 5 A N 0.685 123.449 122.820 -0.093 0.000 1.877 5 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 5 A C 2.556 180.086 177.584 -0.091 0.000 1.186 5 A CA 1.982 53.969 52.037 -0.083 0.000 0.620 5 A CB -0.992 17.955 19.000 -0.088 0.000 0.822 5 A HN 0.451 nan 8.150 nan 0.000 0.443 6 A N -0.295 122.433 122.820 -0.153 0.000 1.908 6 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 6 A C 2.259 179.814 177.584 -0.048 0.000 1.181 6 A CA 1.701 53.645 52.037 -0.155 0.000 0.627 6 A CB -0.497 18.272 19.000 -0.384 0.000 0.818 6 A HN 0.580 nan 8.150 nan 0.000 0.445 7 R N -0.721 119.755 120.500 -0.040 0.000 2.075 7 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 7 R C 2.586 178.905 176.300 0.031 0.000 1.140 7 R CA 1.334 57.477 56.100 0.071 0.000 0.928 7 R CB -0.653 29.692 30.300 0.075 0.000 0.834 7 R HN 0.495 nan 8.270 nan 0.000 0.429 8 A N 1.360 124.178 122.820 -0.003 0.000 1.948 8 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 8 A C 2.113 179.681 177.584 -0.026 0.000 1.177 8 A CA 1.375 53.400 52.037 -0.019 0.000 0.636 8 A CB -0.567 18.418 19.000 -0.026 0.000 0.815 8 A HN 0.249 nan 8.150 nan 0.000 0.449 9 L N -0.304 120.908 121.223 -0.019 0.000 1.976 9 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 9 L C 2.589 179.459 176.870 0.000 0.000 1.071 9 L CA 2.877 57.709 54.840 -0.014 0.000 0.746 9 L CB -1.192 40.859 42.059 -0.013 0.000 0.890 9 L HN 0.406 nan 8.230 nan 0.000 0.432 10 T N -0.918 113.653 114.554 0.028 0.000 2.685 10 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 10 T C 1.960 176.667 174.700 0.011 0.000 1.034 10 T CA 1.837 63.962 62.100 0.041 0.000 1.149 10 T CB -0.638 68.286 68.868 0.093 0.000 0.860 10 T HN 0.224 nan 8.240 nan 0.000 0.449 11 V N 1.475 121.387 119.914 -0.002 0.000 2.255 11 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 11 V C 2.527 178.590 176.094 -0.051 0.000 1.051 11 V CA 1.926 64.207 62.300 -0.032 0.000 1.018 11 V CB -0.670 31.121 31.823 -0.052 0.000 0.641 11 V HN 0.478 nan 8.190 nan 0.000 0.445 12 M N -0.634 118.931 119.600 -0.058 0.000 2.065 12 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 12 M C 2.475 178.750 176.300 -0.042 0.000 1.069 12 M CA 1.964 57.224 55.300 -0.067 0.000 1.110 12 M CB -0.599 31.961 32.600 -0.068 0.000 1.328 12 M HN 0.210 nan 8.290 nan 0.000 0.405 13 R N 0.120 120.606 120.500 -0.024 0.000 2.139 13 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 13 R C 2.260 178.550 176.300 -0.016 0.000 1.145 13 R CA 1.511 57.603 56.100 -0.013 0.000 0.976 13 R CB -0.620 29.681 30.300 0.001 0.000 0.866 13 R HN 0.424 nan 8.270 nan 0.000 0.449 14 A N 0.686 123.494 122.820 -0.020 0.000 1.872 14 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 14 A C 2.392 179.958 177.584 -0.030 0.000 1.187 14 A CA 1.142 53.166 52.037 -0.022 0.000 0.614 14 A CB -0.645 18.342 19.000 -0.022 0.000 0.826 14 A HN 0.439 nan 8.150 nan 0.000 0.442 15 C N -0.426 118.849 119.300 -0.042 0.000 2.419 15 C HA 0.065 4.525 4.460 -0.000 0.000 0.281 15 C C 3.106 178.075 174.990 -0.034 0.000 1.336 15 C CA 0.547 59.537 59.018 -0.047 0.000 1.770 15 C CB -1.495 26.206 27.740 -0.065 0.000 1.929 15 C HN 0.675 nan 8.230 nan 0.000 0.509 16 A N 0.516 123.318 122.820 -0.029 0.000 2.125 16 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 16 A C 2.072 179.642 177.584 -0.023 0.000 1.156 16 A CA 1.990 54.013 52.037 -0.023 0.000 0.671 16 A CB -0.744 18.244 19.000 -0.021 0.000 0.794 16 A HN 0.592 nan 8.150 nan 0.000 0.459 17 T N 0.136 114.677 114.554 -0.023 0.000 3.072 17 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 17 T C 0.255 174.941 174.700 -0.023 0.000 1.127 17 T CA 0.356 62.444 62.100 -0.021 0.000 1.107 17 T CB -0.293 68.564 68.868 -0.019 0.000 0.910 17 T HN 0.173 nan 8.240 nan 0.000 0.513 18 L N 2.593 123.800 121.223 -0.027 0.000 2.384 18 L HA 0.313 4.653 4.340 -0.000 0.000 0.258 18 L C 1.201 178.053 176.870 -0.030 0.000 1.266 18 L CA 0.308 55.131 54.840 -0.029 0.000 1.162 18 L CB -0.449 41.590 42.059 -0.034 0.000 1.375 18 L HN 0.045 nan 8.230 nan 0.000 0.420 19 Q N 0.447 120.231 119.800 -0.026 0.000 2.080 19 Q HA 0.130 4.470 4.340 -0.000 0.000 0.195 19 Q C 0.781 176.765 176.000 -0.026 0.000 0.989 19 Q CA 0.703 56.490 55.803 -0.026 0.000 0.838 19 Q CB 0.154 28.879 28.738 -0.022 0.000 0.915 19 Q HN 0.627 nan 8.270 nan 0.000 0.482 20 E N -1.183 119.004 120.200 -0.021 0.000 2.391 20 E HA 0.219 4.569 4.350 -0.000 0.000 0.255 20 E C 0.215 176.803 176.600 -0.021 0.000 1.187 20 E CA 0.278 56.666 56.400 -0.020 0.000 0.941 20 E CB 0.925 30.615 29.700 -0.016 0.000 1.010 20 E HN 0.362 nan 8.360 nan 0.000 0.458 21 A N 2.509 125.317 122.820 -0.020 0.000 1.861 21 A HA -0.109 4.211 4.320 -0.000 0.000 0.212 21 A C 1.879 179.452 177.584 -0.018 0.000 1.199 21 A CA 1.283 53.308 52.037 -0.020 0.000 0.613 21 A CB -0.354 18.635 19.000 -0.019 0.000 0.846 21 A HN 0.728 nan 8.150 nan 0.000 0.446 22 R N 0.370 120.861 120.500 -0.016 0.000 2.275 22 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 22 R C 0.317 176.609 176.300 -0.013 0.000 0.989 22 R CA 0.230 56.322 56.100 -0.014 0.000 1.016 22 R CB -1.108 29.185 30.300 -0.012 0.000 0.918 22 R HN 0.489 nan 8.270 nan 0.000 0.473 23 I N 0.857 121.419 120.570 -0.014 0.000 2.845 23 I HA -0.029 4.141 4.170 -0.000 0.000 0.296 23 I C 0.377 176.486 176.117 -0.014 0.000 1.216 23 I CA -0.989 60.303 61.300 -0.014 0.000 1.438 23 I CB 0.269 38.260 38.000 -0.014 0.000 1.342 23 I HN -0.079 nan 8.210 nan 0.000 0.577 24 V N 5.498 125.404 119.914 -0.013 0.000 2.455 24 V HA 0.309 4.429 4.120 -0.000 0.000 0.273 24 V C 0.559 176.645 176.094 -0.013 0.000 1.045 24 V CA -0.842 61.450 62.300 -0.012 0.000 0.976 24 V CB 0.412 32.228 31.823 -0.011 0.000 0.993 24 V HN 0.651 nan 8.190 nan 0.000 0.475 25 L N 3.228 124.442 121.223 -0.014 0.000 2.506 25 L HA 0.163 4.503 4.340 -0.000 0.000 0.281 25 L C 0.979 177.840 176.870 -0.014 0.000 1.228 25 L CA 0.757 55.588 54.840 -0.015 0.000 0.850 25 L CB 0.005 42.054 42.059 -0.017 0.000 1.110 25 L HN 0.986 nan 8.230 nan 0.000 0.496 26 E N 1.520 121.711 120.200 -0.014 0.000 2.417 26 E HA 0.051 4.401 4.350 -0.000 0.000 0.261 26 E C 1.032 177.623 176.600 -0.015 0.000 1.000 26 E CA 0.248 56.639 56.400 -0.014 0.000 0.919 26 E CB 0.969 30.661 29.700 -0.013 0.000 0.955 26 E HN 0.689 nan 8.360 nan 0.000 0.455 27 A N 5.590 128.401 122.820 -0.014 0.000 1.881 27 A HA -0.356 3.964 4.320 -0.000 0.000 0.219 27 A C 2.013 179.586 177.584 -0.018 0.000 1.215 27 A CA 2.276 54.303 52.037 -0.015 0.000 0.648 27 A CB -0.894 18.097 19.000 -0.015 0.000 0.832 27 A HN 0.978 nan 8.150 nan 0.000 0.455 28 N N -0.422 118.267 118.700 -0.018 0.000 2.091 28 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 28 N C 1.738 177.235 175.510 -0.021 0.000 1.021 28 N CA 2.003 55.040 53.050 -0.021 0.000 0.862 28 N CB -0.187 38.288 38.487 -0.020 0.000 1.018 28 N HN 0.295 nan 8.380 nan 0.000 0.429 29 V N 1.777 121.680 119.914 -0.018 0.000 2.261 29 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 29 V C 2.495 178.578 176.094 -0.019 0.000 1.047 29 V CA 1.658 63.947 62.300 -0.018 0.000 1.015 29 V CB -0.439 31.373 31.823 -0.017 0.000 0.642 29 V HN 0.381 nan 8.190 nan 0.000 0.446 30 M N -0.843 118.746 119.600 -0.018 0.000 2.149 30 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 30 M C 2.279 178.569 176.300 -0.017 0.000 1.064 30 M CA 1.586 56.875 55.300 -0.017 0.000 1.102 30 M CB -0.582 32.009 32.600 -0.016 0.000 1.369 30 M HN 0.320 nan 8.290 nan 0.000 0.408 31 E N 0.789 120.977 120.200 -0.019 0.000 2.153 31 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 31 E C 1.769 178.357 176.600 -0.019 0.000 0.988 31 E CA 1.195 57.583 56.400 -0.020 0.000 0.811 31 E CB -0.138 29.546 29.700 -0.026 0.000 0.746 31 E HN 0.573 nan 8.360 nan 0.000 0.466 32 I N 0.297 120.856 120.570 -0.019 0.000 2.188 32 I HA -0.244 3.926 4.170 -0.000 0.000 0.237 32 I C 2.492 178.601 176.117 -0.013 0.000 1.073 32 I CA 0.599 61.891 61.300 -0.014 0.000 1.359 32 I CB -0.418 37.574 38.000 -0.012 0.000 1.083 32 I HN 0.020 nan 8.210 nan 0.000 0.412 33 L N 0.873 122.085 121.223 -0.018 0.000 2.081 33 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 33 L C 2.702 179.564 176.870 -0.013 0.000 1.080 33 L CA 1.672 56.498 54.840 -0.023 0.000 0.754 33 L CB -1.503 40.540 42.059 -0.028 0.000 0.893 33 L HN 0.404 nan 8.230 nan 0.000 0.433 34 G N 0.811 109.604 108.800 -0.010 0.000 2.514 34 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 34 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 34 G C 1.553 176.454 174.900 0.002 0.000 1.198 34 G CA 1.039 46.136 45.100 -0.005 0.000 0.780 34 G HN 0.294 nan 8.290 nan 0.000 0.565 35 I N 1.492 122.063 120.570 0.001 0.000 2.163 35 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 35 I C 3.322 179.452 176.117 0.021 0.000 1.085 35 I CA 1.000 62.305 61.300 0.009 0.000 1.347 35 I CB -0.469 37.534 38.000 0.005 0.000 1.044 35 I HN 0.279 nan 8.210 nan 0.000 0.408 36 A N 1.763 124.593 122.820 0.017 0.000 1.827 36 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 36 A C 2.284 179.901 177.584 0.055 0.000 1.212 36 A CA 1.932 53.985 52.037 0.026 0.000 0.624 36 A CB -1.159 17.835 19.000 -0.009 0.000 0.853 36 A HN 0.362 nan 8.150 nan 0.000 0.450 37 I N -0.011 120.578 120.570 0.031 0.000 2.181 37 I HA -0.382 3.788 4.170 -0.000 0.000 0.247 37 I C 2.277 178.448 176.117 0.089 0.000 1.081 37 I CA 1.997 63.336 61.300 0.065 0.000 1.340 37 I CB -0.815 37.199 38.000 0.024 0.000 1.036 37 I HN 0.407 nan 8.210 nan 0.000 0.417 38 N N 0.588 119.319 118.700 0.051 0.000 2.025 38 N HA -0.153 4.587 4.740 -0.000 0.000 0.194 38 N C 1.941 177.476 175.510 0.041 0.000 1.044 38 N CA 1.214 54.286 53.050 0.036 0.000 0.851 38 N CB -0.187 38.312 38.487 0.020 0.000 1.036 38 N HN 0.174 nan 8.380 nan 0.000 0.422 39 R N -0.183 120.348 120.500 0.052 0.000 2.073 39 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 39 R C 2.059 178.394 176.300 0.058 0.000 1.134 39 R CA 1.061 57.189 56.100 0.047 0.000 0.952 39 R CB -1.185 29.147 30.300 0.054 0.000 0.850 39 R HN 0.421 nan 8.270 nan 0.000 0.433 40 Y N 1.951 122.234 120.300 -0.029 0.000 2.049 40 Y HA -0.235 4.315 4.550 -0.000 0.000 0.277 40 Y C 1.912 177.775 175.900 -0.063 0.000 1.143 40 Y CA 2.002 60.076 58.100 -0.044 0.000 1.115 40 Y CB -0.738 37.701 38.460 -0.035 0.000 0.975 40 Y HN 0.162 nan 8.280 nan 0.000 0.487 41 N N -0.423 118.315 118.700 0.063 0.000 2.258 41 N HA -0.206 4.534 4.740 -0.000 0.000 0.187 41 N C 1.909 177.354 175.510 -0.108 0.000 1.012 41 N CA 0.676 53.700 53.050 -0.042 0.000 0.870 41 N CB -0.493 38.019 38.487 0.042 0.000 0.977 41 N HN 0.574 nan 8.380 nan 0.000 0.434 42 G N 1.228 109.983 108.800 -0.075 0.000 2.421 42 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 42 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 42 G C 1.465 176.295 174.900 -0.117 0.000 1.171 42 G CA 0.427 45.485 45.100 -0.071 0.000 0.775 42 G HN 0.211 nan 8.290 nan 0.000 0.543 43 L N 0.374 121.494 121.223 -0.171 0.000 2.068 43 L HA 0.077 4.417 4.340 -0.000 0.000 0.204 43 L C 2.959 179.644 176.870 -0.309 0.000 1.076 43 L CA 2.278 56.997 54.840 -0.202 0.000 0.753 43 L CB -0.505 41.435 42.059 -0.197 0.000 0.910 43 L HN 0.183 nan 8.230 nan 0.000 0.439 44 T N -0.465 113.768 114.554 -0.535 0.000 2.777 44 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 44 T C 1.168 175.659 174.700 -0.349 0.000 1.040 44 T CA 1.363 63.041 62.100 -0.703 0.000 1.141 44 T CB -0.037 68.231 68.868 -1.000 0.000 0.868 44 T HN 0.247 nan 8.240 nan 0.000 0.444 45 L N -1.173 119.912 121.223 -0.231 0.000 4.800 45 L HA -0.152 4.188 4.340 -0.000 0.000 0.400 45 L C 0.776 177.604 176.870 -0.071 0.000 0.857 45 L CA 0.859 55.632 54.840 -0.112 0.000 1.908 45 L CB -1.311 40.704 42.059 -0.074 0.000 1.598 45 L HN 0.211 nan 8.230 nan 0.000 0.593 46 R N -0.063 120.385 120.500 -0.088 0.000 2.726 46 R HA 0.549 4.889 4.340 -0.000 0.000 0.272 46 R C 0.935 177.250 176.300 0.025 0.000 1.097 46 R CA 0.525 56.624 56.100 -0.001 0.000 1.198 46 R CB 0.248 30.581 30.300 0.055 0.000 1.114 46 R HN 0.216 nan 8.270 nan 0.000 0.550 47 G N 0.839 109.665 108.800 0.042 0.000 3.428 47 G HA2 0.375 4.335 3.960 -0.000 0.000 0.344 47 G HA3 0.375 4.335 3.960 -0.000 0.000 0.344 47 G C -0.417 174.506 174.900 0.038 0.000 1.256 47 G CA -0.385 44.735 45.100 0.034 0.000 1.209 47 G HN 0.216 nan 8.290 nan 0.000 0.470 48 V N 1.634 121.585 119.914 0.062 0.000 2.686 48 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 48 V C 0.589 176.690 176.094 0.011 0.000 1.057 48 V CA -0.182 62.140 62.300 0.036 0.000 1.012 48 V CB 1.504 33.361 31.823 0.057 0.000 1.006 48 V HN 0.613 nan 8.190 nan 0.000 0.477 49 T N 3.861 118.408 114.554 -0.012 0.000 2.932 49 T HA 0.454 4.804 4.350 -0.000 0.000 0.289 49 T C 0.897 175.583 174.700 -0.024 0.000 1.039 49 T CA -0.706 61.385 62.100 -0.015 0.000 1.024 49 T CB 1.805 70.662 68.868 -0.019 0.000 1.090 49 T HN 0.460 nan 8.240 nan 0.000 0.496 50 M N 0.001 119.589 119.600 -0.021 0.000 2.419 50 M HA 0.134 4.614 4.480 -0.000 0.000 0.264 50 M C 1.068 177.351 176.300 -0.028 0.000 1.082 50 M CA 1.188 56.473 55.300 -0.025 0.000 1.119 50 M CB 0.035 32.623 32.600 -0.019 0.000 1.398 50 M HN 0.284 nan 8.290 nan 0.000 0.453 51 R N 0.671 121.156 120.500 -0.026 0.000 2.547 51 R HA 0.313 4.653 4.340 -0.000 0.000 0.280 51 R C -2.730 173.551 176.300 -0.031 0.000 1.630 51 R CA -1.615 54.468 56.100 -0.028 0.000 1.470 51 R CB 0.662 30.949 30.300 -0.023 0.000 1.178 51 R HN -0.096 nan 8.270 nan 0.000 0.591 52 P HA 0.197 nan 4.420 nan 0.000 0.275 52 P C -0.035 177.239 177.300 -0.042 0.000 1.228 52 P CA -0.072 63.001 63.100 -0.045 0.000 0.786 52 P CB 1.529 33.194 31.700 -0.059 0.000 0.927 53 T N -3.792 110.738 114.554 -0.041 0.000 3.151 53 T HA 0.003 4.353 4.350 -0.000 0.000 0.257 53 T C 1.508 176.186 174.700 -0.038 0.000 0.872 53 T CA 0.524 62.602 62.100 -0.037 0.000 0.873 53 T CB -0.707 68.144 68.868 -0.028 0.000 1.272 53 T HN 0.339 nan 8.240 nan 0.000 0.543 54 S N 1.868 117.545 115.700 -0.039 0.000 2.325 54 S HA 0.289 4.759 4.470 -0.000 0.000 0.213 54 S C 1.409 175.982 174.600 -0.044 0.000 1.031 54 S CA 1.340 59.518 58.200 -0.036 0.000 0.984 54 S CB -0.170 63.011 63.200 -0.033 0.000 0.939 54 S HN 0.861 nan 8.310 nan 0.000 0.438 55 L N -1.449 119.738 121.223 -0.060 0.000 1.246 55 L HA 0.195 4.535 4.340 -0.000 0.000 0.049 55 L C 1.646 178.456 176.870 -0.100 0.000 1.542 55 L CA 1.106 55.901 54.840 -0.075 0.000 1.111 55 L CB -1.232 40.797 42.059 -0.051 0.000 2.220 55 L HN 0.255 nan 8.230 nan 0.000 0.434 56 A N 0.299 123.072 122.820 -0.077 0.000 1.948 56 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 56 A C 1.881 179.388 177.584 -0.128 0.000 1.177 56 A CA 2.430 54.413 52.037 -0.091 0.000 0.636 56 A CB -0.665 18.310 19.000 -0.042 0.000 0.815 56 A HN 0.761 nan 8.150 nan 0.000 0.449 57 Q N -0.900 118.842 119.800 -0.097 0.000 2.123 57 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 57 Q C 2.354 178.277 176.000 -0.129 0.000 0.966 57 Q CA 1.238 56.986 55.803 -0.092 0.000 0.845 57 Q CB -0.140 28.562 28.738 -0.061 0.000 0.907 57 Q HN 0.653 nan 8.270 nan 0.000 0.439 58 R N 0.591 121.010 120.500 -0.134 0.000 2.081 58 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 58 R C 1.869 178.037 176.300 -0.220 0.000 1.131 58 R CA 1.235 57.249 56.100 -0.143 0.000 0.960 58 R CB -0.408 29.814 30.300 -0.129 0.000 0.856 58 R HN 0.278 nan 8.270 nan 0.000 0.436 59 N N 1.128 119.622 118.700 -0.344 0.000 2.043 59 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 59 N C 1.726 176.629 175.510 -1.011 0.000 1.037 59 N CA 1.285 53.907 53.050 -0.712 0.000 0.851 59 N CB -0.367 37.674 38.487 -0.744 0.000 1.027 59 N HN 0.187 nan 8.380 nan 0.000 0.422 60 E N 0.873 120.697 120.200 -0.627 0.000 2.070 60 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 60 E C 1.995 178.497 176.600 -0.163 0.000 1.004 60 E CA 1.163 57.366 56.400 -0.328 0.000 0.805 60 E CB -0.232 29.401 29.700 -0.111 0.000 0.744 60 E HN 0.367 nan 8.360 nan 0.000 0.451 61 M N -1.042 118.460 119.600 -0.163 0.000 2.099 61 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 61 M C 1.950 178.176 176.300 -0.125 0.000 1.067 61 M CA 1.515 56.736 55.300 -0.130 0.000 1.124 61 M CB -0.219 32.318 32.600 -0.104 0.000 1.353 61 M HN 0.233 nan 8.290 nan 0.000 0.410 62 F N 0.971 120.785 119.950 -0.226 0.000 2.069 62 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 62 F C 1.627 177.434 175.800 0.011 0.000 1.113 62 F CA 1.886 59.805 58.000 -0.136 0.000 1.214 62 F CB -0.520 38.372 39.000 -0.179 0.000 0.978 62 F HN 0.147 nan 8.300 nan 0.000 0.474 63 F N 0.254 120.188 119.950 -0.027 0.000 2.147 63 F HA -0.316 4.211 4.527 -0.000 0.000 0.301 63 F C 2.544 178.333 175.800 -0.019 0.000 1.084 63 F CA 1.596 59.590 58.000 -0.010 0.000 1.268 63 F CB -1.571 37.563 39.000 0.223 0.000 1.009 63 F HN 0.166 nan 8.300 nan 0.000 0.486 64 M N -0.431 119.180 119.600 0.019 0.000 2.059 64 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 64 M C 2.439 178.549 176.300 -0.316 0.000 1.072 64 M CA 2.225 57.279 55.300 -0.411 0.000 1.117 64 M CB -0.574 31.536 32.600 -0.817 0.000 1.320 64 M HN 0.180 nan 8.290 nan 0.000 0.408 65 C N 0.551 119.649 119.300 -0.337 0.000 2.401 65 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 65 C C 2.599 177.412 174.990 -0.296 0.000 1.233 65 C CA 0.960 59.783 59.018 -0.325 0.000 1.753 65 C CB -1.650 25.842 27.740 -0.413 0.000 2.029 65 C HN 0.730 nan 8.230 nan 0.000 0.478 66 L N 1.525 122.512 121.223 -0.394 0.000 1.989 66 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 66 L C 2.149 178.992 176.870 -0.045 0.000 1.071 66 L CA 2.135 56.807 54.840 -0.280 0.000 0.749 66 L CB -1.117 40.713 42.059 -0.381 0.000 0.890 66 L HN 0.244 nan 8.230 nan 0.000 0.431 67 D N -0.722 119.736 120.400 0.097 0.000 2.133 67 D HA -0.238 4.402 4.640 -0.000 0.000 0.195 67 D C 2.181 178.556 176.300 0.126 0.000 0.997 67 D CA 2.112 56.250 54.000 0.230 0.000 0.840 67 D CB -0.090 40.943 40.800 0.388 0.000 0.947 67 D HN 0.437 nan 8.370 nan 0.000 0.452 68 M N -0.552 119.075 119.600 0.045 0.000 2.156 68 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 68 M C 2.269 178.566 176.300 -0.004 0.000 1.067 68 M CA 0.799 56.111 55.300 0.019 0.000 1.131 68 M CB -0.243 32.338 32.600 -0.033 0.000 1.368 68 M HN -0.006 nan 8.290 nan 0.000 0.416 69 M N 1.329 120.907 119.600 -0.037 0.000 2.080 69 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 69 M C 1.939 178.233 176.300 -0.010 0.000 1.068 69 M CA 1.993 57.271 55.300 -0.036 0.000 1.109 69 M CB -0.606 31.957 32.600 -0.060 0.000 1.342 69 M HN 0.311 nan 8.290 nan 0.000 0.405 70 L N -0.569 120.659 121.223 0.009 0.000 2.005 70 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 70 L C 2.452 179.337 176.870 0.025 0.000 1.072 70 L CA 1.421 56.276 54.840 0.026 0.000 0.744 70 L CB -0.987 41.109 42.059 0.062 0.000 0.895 70 L HN 0.275 nan 8.230 nan 0.000 0.433 71 S N 0.019 115.742 115.700 0.039 0.000 2.400 71 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 71 S C 2.128 176.736 174.600 0.013 0.000 1.025 71 S CA 1.272 59.493 58.200 0.035 0.000 0.993 71 S CB -0.303 62.929 63.200 0.054 0.000 0.808 71 S HN 0.506 nan 8.310 nan 0.000 0.478 72 A N 1.065 123.886 122.820 0.002 0.000 1.930 72 A HA 0.254 4.574 4.320 -0.000 0.000 0.217 72 A C 2.204 179.776 177.584 -0.021 0.000 1.175 72 A CA 1.451 53.479 52.037 -0.015 0.000 0.627 72 A CB -0.706 18.279 19.000 -0.025 0.000 0.815 72 A HN 0.515 nan 8.150 nan 0.000 0.443 73 A N -1.723 121.088 122.820 -0.016 0.000 2.178 73 A HA 0.418 4.738 4.320 -0.000 0.000 0.211 73 A C 1.695 179.271 177.584 -0.013 0.000 1.157 73 A CA 1.140 53.165 52.037 -0.020 0.000 0.780 73 A CB -0.841 18.148 19.000 -0.020 0.000 0.828 73 A HN 1.894 nan 8.150 nan 0.000 0.476 74 G N -0.463 108.335 108.800 -0.004 0.000 2.256 74 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.272 74 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.272 74 G C -0.117 174.784 174.900 0.002 0.000 1.076 74 G CA 0.449 45.549 45.100 -0.000 0.000 0.882 74 G HN 0.491 nan 8.290 nan 0.000 0.497 75 I N 0.574 121.148 120.570 0.007 0.000 2.493 75 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 75 I C -0.188 175.942 176.117 0.021 0.000 0.998 75 I CA -1.130 60.176 61.300 0.009 0.000 1.137 75 I CB 1.813 39.816 38.000 0.004 0.000 1.310 75 I HN 0.307 nan 8.210 nan 0.000 0.445 76 N N 6.384 125.094 118.700 0.017 0.000 2.746 76 N HA 0.100 4.840 4.740 -0.000 0.000 0.250 76 N C 0.393 175.916 175.510 0.023 0.000 1.146 76 N CA -0.484 52.579 53.050 0.021 0.000 0.828 76 N CB 1.585 40.077 38.487 0.008 0.000 1.158 76 N HN 0.510 nan 8.380 nan 0.000 0.519 77 V N -0.586 119.353 119.914 0.040 0.000 2.828 77 V HA 0.075 4.195 4.120 -0.000 0.000 0.260 77 V C 1.291 177.408 176.094 0.039 0.000 1.101 77 V CA 1.173 63.497 62.300 0.040 0.000 1.123 77 V CB -1.784 30.075 31.823 0.060 0.000 0.704 77 V HN 0.860 nan 8.190 nan 0.000 0.493 78 G N 1.201 110.019 108.800 0.030 0.000 2.601 78 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 78 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 78 G C -1.921 172.999 174.900 0.035 0.000 1.294 78 G CA -0.072 45.039 45.100 0.017 0.000 0.912 78 G HN 0.727 nan 8.290 nan 0.000 0.574 79 P HA 0.260 nan 4.420 nan 0.000 0.267 79 P C 0.886 178.296 177.300 0.182 0.000 1.328 79 P CA 0.814 63.974 63.100 0.100 0.000 0.990 79 P CB -0.516 31.241 31.700 0.095 0.000 1.168 80 I N 0.026 120.666 120.570 0.116 0.000 4.456 80 I HA 0.325 4.495 4.170 -0.000 0.000 0.329 80 I C 0.231 176.226 176.117 -0.203 0.000 1.313 80 I CA -0.221 61.120 61.300 0.069 0.000 1.205 80 I CB 0.676 38.716 38.000 0.066 0.000 1.179 80 I HN 0.145 nan 8.210 nan 0.000 0.419 81 S N 1.482 117.042 115.700 -0.232 0.000 2.541 81 S HA 0.559 5.029 4.470 -0.000 0.000 0.271 81 S C -2.278 172.200 174.600 -0.203 0.000 1.133 81 S CA -0.986 57.031 58.200 -0.304 0.000 0.876 81 S CB 1.897 65.150 63.200 0.087 0.000 1.105 81 S HN 0.018 nan 8.310 nan 0.000 0.470 82 P HA 0.117 nan 4.420 nan 0.000 0.224 82 P C 0.146 177.480 177.300 0.058 0.000 1.157 82 P CA 0.753 63.876 63.100 0.038 0.000 0.799 82 P CB 0.212 31.976 31.700 0.106 0.000 0.809 83 D N -0.945 119.514 120.400 0.099 0.000 2.149 83 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 83 D C 0.697 177.014 176.300 0.027 0.000 0.967 83 D CA 0.860 54.952 54.000 0.154 0.000 0.848 83 D CB -0.781 40.215 40.800 0.326 0.000 0.998 83 D HN 0.217 nan 8.370 nan 0.000 0.474 84 Y N 0.910 121.032 120.300 -0.296 0.000 2.334 84 Y HA 0.413 4.963 4.550 -0.000 0.000 0.328 84 Y C -0.805 174.918 175.900 -0.296 0.000 1.130 84 Y CA -0.181 57.545 58.100 -0.623 0.000 1.163 84 Y CB 1.477 39.282 38.460 -1.091 0.000 1.207 84 Y HN -0.325 nan 8.280 nan 0.000 0.471 85 T N 6.578 120.515 114.554 -1.028 0.000 2.949 85 T HA 0.145 4.495 4.350 -0.000 0.000 0.300 85 T C -1.092 172.910 174.700 -1.164 0.000 0.988 85 T CA -0.744 60.867 62.100 -0.816 0.000 0.993 85 T CB 1.144 69.743 68.868 -0.447 0.000 0.984 85 T HN 0.722 nan 8.240 nan 0.000 0.442 86 Q N 3.094 122.322 119.800 -0.953 0.000 2.289 86 Q HA 0.044 4.384 4.340 -0.000 0.000 0.273 86 Q C -0.559 175.241 176.000 -0.333 0.000 1.029 86 Q CA 0.026 55.523 55.803 -0.509 0.000 0.896 86 Q CB 0.420 29.112 28.738 -0.076 0.000 1.182 86 Q HN 0.603 nan 8.270 nan 0.000 0.385 87 H N 5.424 124.422 119.070 -0.120 0.000 2.604 87 H HA 0.063 4.619 4.556 -0.000 0.000 0.306 87 H C 0.703 176.019 175.328 -0.019 0.000 1.075 87 H CA -0.424 55.582 56.048 -0.071 0.000 1.357 87 H CB 1.327 31.050 29.762 -0.065 0.000 1.426 87 H HN 0.743 nan 8.280 nan 0.000 0.470 88 M N 2.360 121.980 119.600 0.033 0.000 2.098 88 M HA -0.056 4.424 4.480 -0.000 0.000 0.262 88 M C 2.180 178.511 176.300 0.052 0.000 1.072 88 M CA 1.067 56.386 55.300 0.031 0.000 1.133 88 M CB -1.163 31.434 32.600 -0.005 0.000 1.344 88 M HN 0.672 nan 8.290 nan 0.000 0.414 89 A N -0.262 122.590 122.820 0.054 0.000 2.264 89 A HA -0.042 4.278 4.320 -0.000 0.000 0.207 89 A C 1.950 179.563 177.584 0.048 0.000 1.196 89 A CA 1.245 53.306 52.037 0.040 0.000 0.778 89 A CB -1.176 17.838 19.000 0.024 0.000 0.779 89 A HN 0.542 nan 8.150 nan 0.000 0.483 90 T N 0.082 114.686 114.554 0.084 0.000 2.897 90 T HA -0.172 4.178 4.350 -0.000 0.000 0.271 90 T C 1.656 176.410 174.700 0.090 0.000 1.084 90 T CA 1.508 63.679 62.100 0.119 0.000 1.123 90 T CB -0.318 68.668 68.868 0.197 0.000 0.865 90 T HN 0.514 nan 8.240 nan 0.000 0.496 91 I N 1.648 122.255 120.570 0.062 0.000 2.353 91 I HA 0.086 4.256 4.170 -0.000 0.000 0.248 91 I C 2.461 178.598 176.117 0.033 0.000 1.119 91 I CA 0.964 62.289 61.300 0.041 0.000 1.417 91 I CB -0.815 37.202 38.000 0.029 0.000 1.078 91 I HN 0.214 nan 8.210 nan 0.000 0.421 92 G N -0.296 108.522 108.800 0.030 0.000 2.448 92 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 92 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 92 G C 1.565 176.481 174.900 0.028 0.000 1.127 92 G CA 1.088 46.201 45.100 0.023 0.000 0.766 92 G HN 0.370 nan 8.290 nan 0.000 0.552 93 V N 0.260 120.198 119.914 0.040 0.000 2.871 93 V HA 0.031 4.151 4.120 -0.000 0.000 0.256 93 V C 2.524 178.650 176.094 0.052 0.000 1.082 93 V CA 0.684 63.014 62.300 0.050 0.000 1.105 93 V CB -0.037 31.832 31.823 0.077 0.000 0.713 93 V HN 0.200 nan 8.190 nan 0.000 0.473 94 L N 0.352 121.604 121.223 0.048 0.000 2.341 94 L HA 0.199 4.539 4.340 -0.000 0.000 0.214 94 L C 2.398 179.288 176.870 0.033 0.000 1.115 94 L CA 1.686 56.550 54.840 0.040 0.000 0.820 94 L CB -1.074 41.002 42.059 0.029 0.000 0.944 94 L HN 0.292 nan 8.230 nan 0.000 0.452 95 A N -2.122 120.714 122.820 0.028 0.000 2.123 95 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 95 A C 1.214 178.817 177.584 0.032 0.000 1.152 95 A CA 0.341 52.392 52.037 0.023 0.000 0.728 95 A CB -0.550 18.459 19.000 0.015 0.000 0.814 95 A HN 0.268 nan 8.150 nan 0.000 0.464 96 T N 3.134 117.710 114.554 0.036 0.000 2.750 96 T HA 0.235 4.585 4.350 -0.000 0.000 0.286 96 T C -1.595 173.135 174.700 0.050 0.000 0.911 96 T CA -0.741 61.381 62.100 0.036 0.000 1.130 96 T CB 0.840 69.727 68.868 0.032 0.000 0.873 96 T HN 0.268 nan 8.240 nan 0.000 0.536 97 P HA -0.083 nan 4.420 nan 0.000 0.234 97 P C 0.855 178.186 177.300 0.051 0.000 1.162 97 P CA 0.616 63.757 63.100 0.068 0.000 0.759 97 P CB 0.481 32.215 31.700 0.056 0.000 0.813 98 E N 0.797 121.021 120.200 0.039 0.000 2.023 98 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 98 E C 1.126 177.741 176.600 0.025 0.000 1.003 98 E CA 0.710 57.125 56.400 0.025 0.000 0.809 98 E CB -0.839 28.875 29.700 0.024 0.000 0.755 98 E HN 0.386 nan 8.360 nan 0.000 0.449 99 I N 3.471 124.068 120.570 0.045 0.000 2.556 99 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 99 I C -1.819 174.338 176.117 0.066 0.000 1.114 99 I CA -1.657 59.672 61.300 0.049 0.000 1.418 99 I CB 0.335 38.373 38.000 0.063 0.000 1.394 99 I HN 0.037 nan 8.210 nan 0.000 0.552 100 P HA 0.410 nan 4.420 nan 0.000 0.282 100 P C -1.177 176.147 177.300 0.041 0.000 1.287 100 P CA -0.215 62.836 63.100 -0.081 0.000 0.792 100 P CB 1.063 32.688 31.700 -0.124 0.000 1.163 101 F N -3.442 116.504 119.950 -0.006 0.000 2.628 101 F HA 0.506 5.033 4.527 -0.000 0.000 0.309 101 F C -0.253 175.544 175.800 -0.004 0.000 1.108 101 F CA -1.064 56.932 58.000 -0.006 0.000 0.971 101 F CB 0.344 39.341 39.000 -0.005 0.000 1.279 101 F HN 0.296 nan 8.300 nan 0.000 0.441 102 T N -1.458 113.206 114.554 0.183 0.000 2.868 102 T HA 0.245 4.595 4.350 -0.000 0.000 0.292 102 T C 0.843 175.648 174.700 0.176 0.000 1.028 102 T CA 0.137 62.299 62.100 0.104 0.000 1.059 102 T CB 1.211 70.120 68.868 0.069 0.000 0.991 102 T HN 0.761 nan 8.240 nan 0.000 0.531 103 T N 1.322 115.936 114.554 0.100 0.000 2.788 103 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 103 T C 1.766 176.523 174.700 0.096 0.000 1.044 103 T CA 1.614 63.777 62.100 0.105 0.000 1.139 103 T CB -0.382 68.519 68.868 0.054 0.000 0.867 103 T HN 0.720 nan 8.240 nan 0.000 0.454 104 E N 1.572 121.817 120.200 0.075 0.000 2.038 104 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 104 E C 2.424 179.068 176.600 0.074 0.000 1.000 104 E CA 1.394 57.831 56.400 0.062 0.000 0.803 104 E CB -0.656 29.073 29.700 0.049 0.000 0.750 104 E HN 0.515 nan 8.360 nan 0.000 0.448 105 A N 0.764 123.638 122.820 0.090 0.000 1.930 105 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 105 A C 2.341 179.953 177.584 0.046 0.000 1.175 105 A CA 1.865 53.944 52.037 0.072 0.000 0.627 105 A CB -0.855 18.199 19.000 0.090 0.000 0.815 105 A HN 0.278 nan 8.150 nan 0.000 0.443 106 A N 0.542 123.420 122.820 0.097 0.000 1.851 106 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 106 A C 2.002 179.606 177.584 0.032 0.000 1.195 106 A CA 1.731 53.797 52.037 0.049 0.000 0.622 106 A CB -0.882 18.231 19.000 0.189 0.000 0.831 106 A HN 0.658 nan 8.150 nan 0.000 0.444 107 N N -0.792 117.943 118.700 0.058 0.000 2.104 107 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 107 N C 1.851 177.403 175.510 0.071 0.000 1.024 107 N CA 1.629 54.709 53.050 0.050 0.000 0.853 107 N CB -0.188 38.325 38.487 0.043 0.000 1.008 107 N HN 0.668 nan 8.380 nan 0.000 0.424 108 E N 0.863 121.116 120.200 0.089 0.000 2.021 108 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 108 E C 2.044 178.724 176.600 0.132 0.000 1.015 108 E CA 1.261 57.756 56.400 0.159 0.000 0.824 108 E CB 0.043 29.814 29.700 0.117 0.000 0.762 108 E HN 0.190 nan 8.360 nan 0.000 0.454 109 I N 0.757 121.345 120.570 0.030 0.000 2.179 109 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 109 I C 2.489 178.604 176.117 -0.004 0.000 1.088 109 I CA 1.442 62.728 61.300 -0.023 0.000 1.357 109 I CB -1.745 36.206 38.000 -0.081 0.000 1.051 109 I HN 0.174 nan 8.210 nan 0.000 0.409 110 A N 0.796 123.618 122.820 0.003 0.000 1.948 110 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 110 A C 2.453 180.055 177.584 0.029 0.000 1.177 110 A CA 2.342 54.383 52.037 0.006 0.000 0.636 110 A CB -0.610 18.396 19.000 0.011 0.000 0.815 110 A HN 0.327 nan 8.150 nan 0.000 0.449 111 R N -0.279 120.268 120.500 0.078 0.000 2.062 111 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 111 R C 1.941 178.323 176.300 0.136 0.000 1.136 111 R CA 1.975 58.143 56.100 0.113 0.000 0.948 111 R CB -1.202 29.200 30.300 0.170 0.000 0.845 111 R HN 0.238 nan 8.270 nan 0.000 0.430 112 V N 0.404 120.406 119.914 0.148 0.000 2.252 112 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 112 V C 2.128 178.210 176.094 -0.021 0.000 1.056 112 V CA 2.569 64.883 62.300 0.022 0.000 1.022 112 V CB -0.902 30.848 31.823 -0.121 0.000 0.641 112 V HN 0.499 nan 8.190 nan 0.000 0.445 113 T N 0.056 114.591 114.554 -0.032 0.000 2.720 113 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 113 T C 1.852 176.522 174.700 -0.050 0.000 1.037 113 T CA 1.517 63.587 62.100 -0.050 0.000 1.144 113 T CB -0.767 68.072 68.868 -0.049 0.000 0.864 113 T HN 0.647 nan 8.240 nan 0.000 0.444 114 G N 2.194 110.979 108.800 -0.025 0.000 2.552 114 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 114 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 114 G C 1.440 176.313 174.900 -0.046 0.000 1.240 114 G CA 1.461 46.545 45.100 -0.026 0.000 0.796 114 G HN 0.700 nan 8.290 nan 0.000 0.568 115 E N -0.656 119.528 120.200 -0.027 0.000 2.106 115 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 115 E C 2.257 178.787 176.600 -0.116 0.000 0.984 115 E CA 1.726 58.098 56.400 -0.047 0.000 0.806 115 E CB -1.029 28.672 29.700 0.003 0.000 0.750 115 E HN 0.258 nan 8.360 nan 0.000 0.458 116 T N 0.102 114.592 114.554 -0.108 0.000 2.788 116 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 116 T C 1.836 176.380 174.700 -0.260 0.000 1.044 116 T CA 1.766 63.770 62.100 -0.160 0.000 1.139 116 T CB -0.506 68.294 68.868 -0.113 0.000 0.867 116 T HN 0.484 nan 8.240 nan 0.000 0.454 117 S N -0.765 114.798 115.700 -0.228 0.000 2.561 117 S HA 0.119 4.589 4.470 -0.000 0.000 0.225 117 S C 0.954 175.298 174.600 -0.427 0.000 0.977 117 S CA 0.286 58.323 58.200 -0.270 0.000 0.926 117 S CB -0.015 63.094 63.200 -0.153 0.000 0.769 117 S HN 0.404 nan 8.310 nan 0.000 0.533 118 T N -0.388 113.884 114.554 -0.469 0.000 2.669 118 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 118 T C -1.696 172.661 174.700 -0.573 0.000 1.019 118 T CA -0.924 60.870 62.100 -0.510 0.000 1.039 118 T CB 0.876 69.689 68.868 -0.092 0.000 1.374 118 T HN 0.419 nan 8.240 nan 0.000 0.523 119 W N -0.375 120.926 121.300 0.002 0.000 2.869 119 W HA 0.692 5.352 4.660 -0.000 0.000 0.345 119 W C 0.191 176.709 176.519 -0.002 0.000 1.191 119 W CA -0.895 56.449 57.345 -0.001 0.000 1.104 119 W CB 1.363 30.820 29.460 -0.004 0.000 1.471 119 W HN 1.032 nan 8.180 nan 0.000 0.612 120 G N 1.051 110.003 108.800 0.253 0.000 2.556 120 G HA2 0.358 4.318 3.960 -0.000 0.000 0.294 120 G HA3 0.358 4.318 3.960 -0.000 0.000 0.294 120 G C -3.139 171.816 174.900 0.092 0.000 1.516 120 G CA -0.917 44.263 45.100 0.133 0.000 0.824 120 G HN 0.028 nan 8.290 nan 0.000 0.535 121 P HA 0.525 nan 4.420 nan 0.000 0.276 121 P C -0.414 176.892 177.300 0.010 0.000 1.230 121 P CA 0.035 63.159 63.100 0.040 0.000 0.776 121 P CB 1.746 33.476 31.700 0.050 0.000 0.888 122 A N 3.343 126.152 122.820 -0.018 0.000 2.566 122 A HA 0.424 4.744 4.320 -0.000 0.000 0.297 122 A C -0.358 177.151 177.584 -0.125 0.000 1.059 122 A CA -0.922 51.075 52.037 -0.066 0.000 0.691 122 A CB 1.254 20.217 19.000 -0.061 0.000 1.282 122 A HN 0.432 nan 8.150 nan 0.000 0.401 123 R N 1.879 122.276 120.500 -0.170 0.000 2.446 123 R HA 0.099 4.439 4.340 -0.000 0.000 0.325 123 R C -0.128 176.007 176.300 -0.276 0.000 0.997 123 R CA -0.030 55.927 56.100 -0.239 0.000 1.010 123 R CB 0.219 30.299 30.300 -0.366 0.000 0.946 123 R HN 0.641 nan 8.270 nan 0.000 0.422 124 Q N 4.213 123.760 119.800 -0.421 0.000 2.432 124 Q HA 0.004 4.344 4.340 -0.000 0.000 0.264 124 Q C -1.143 174.666 176.000 -0.318 0.000 1.035 124 Q CA -1.279 54.245 55.803 -0.465 0.000 0.908 124 Q CB 0.337 28.532 28.738 -0.905 0.000 1.280 124 Q HN 0.463 nan 8.270 nan 0.000 0.455 125 P HA -0.151 nan 4.420 nan 0.000 0.214 125 P C -0.208 176.822 177.300 -0.451 0.000 1.162 125 P CA 1.645 64.421 63.100 -0.539 0.000 0.879 125 P CB 0.184 31.298 31.700 -0.978 0.000 0.786 126 Y N -0.405 119.968 120.300 0.121 0.000 2.596 126 Y HA 0.596 5.146 4.550 -0.000 0.000 0.326 126 Y C 1.598 177.654 175.900 0.259 0.000 1.167 126 Y CA -1.212 56.983 58.100 0.159 0.000 1.246 126 Y CB -0.444 38.094 38.460 0.131 0.000 1.347 126 Y HN -0.131 nan 8.280 nan 0.000 0.515 127 G N -0.122 108.919 108.800 0.402 0.000 2.491 127 G HA2 0.031 3.991 3.960 -0.000 0.000 0.238 127 G HA3 0.031 3.991 3.960 -0.000 0.000 0.238 127 G C 0.331 175.388 174.900 0.263 0.000 1.277 127 G CA -0.191 45.109 45.100 0.334 0.000 0.851 127 G HN 0.647 nan 8.290 nan 0.000 0.573 128 F N 1.738 121.651 119.950 -0.062 0.000 2.025 128 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 128 F C 1.628 177.180 175.800 -0.412 0.000 1.132 128 F CA 1.081 58.771 58.000 -0.517 0.000 1.191 128 F CB -0.288 38.212 39.000 -0.834 0.000 0.963 128 F HN 0.330 nan 8.300 nan 0.000 0.481 129 F N 0.896 121.072 119.950 0.376 0.000 2.705 129 F HA 0.170 4.697 4.527 -0.000 0.000 0.355 129 F C 1.113 176.998 175.800 0.142 0.000 1.172 129 F CA -0.175 57.958 58.000 0.222 0.000 1.332 129 F CB -0.498 38.558 39.000 0.094 0.000 1.621 129 F HN -0.000 nan 8.300 nan 0.000 0.605 130 L N 0.217 121.577 121.223 0.228 0.000 2.253 130 L HA 0.154 4.494 4.340 -0.000 0.000 0.205 130 L C 1.468 178.412 176.870 0.123 0.000 1.078 130 L CA 1.370 56.307 54.840 0.161 0.000 0.805 130 L CB -0.107 42.035 42.059 0.139 0.000 0.963 130 L HN 0.148 nan 8.230 nan 0.000 0.459 131 E N 1.031 121.306 120.200 0.125 0.000 2.422 131 E HA 0.092 4.442 4.350 -0.000 0.000 0.267 131 E C -0.344 176.321 176.600 0.109 0.000 1.466 131 E CA 0.029 56.488 56.400 0.099 0.000 1.767 131 E CB -0.474 29.277 29.700 0.085 0.000 1.471 131 E HN 0.455 nan 8.360 nan 0.000 0.446 132 T N -2.913 111.711 114.554 0.116 0.000 2.859 132 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 132 T C 0.815 175.545 174.700 0.050 0.000 1.005 132 T CA -0.842 61.318 62.100 0.101 0.000 1.025 132 T CB 2.078 71.022 68.868 0.126 0.000 0.977 132 T HN 0.031 nan 8.240 nan 0.000 0.458 133 E N 1.157 121.374 120.200 0.030 0.000 2.190 133 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 133 E C 0.054 176.634 176.600 -0.033 0.000 0.978 133 E CA 0.587 56.988 56.400 0.001 0.000 0.839 133 E CB 0.328 30.028 29.700 0.001 0.000 0.787 133 E HN 0.749 nan 8.360 nan 0.000 0.473 134 E N 0.450 120.626 120.200 -0.039 0.000 2.222 134 E HA 0.372 4.722 4.350 -0.000 0.000 0.267 134 E C -0.866 175.673 176.600 -0.103 0.000 0.884 134 E CA -0.402 55.926 56.400 -0.119 0.000 0.764 134 E CB 2.410 32.029 29.700 -0.135 0.000 1.169 134 E HN -0.190 nan 8.360 nan 0.000 0.413 135 T N 1.936 116.361 114.554 -0.216 0.000 2.893 135 T HA 0.598 4.948 4.350 -0.000 0.000 0.293 135 T C -1.617 172.905 174.700 -0.296 0.000 1.027 135 T CA -0.611 61.423 62.100 -0.110 0.000 0.988 135 T CB 0.441 69.276 68.868 -0.055 0.000 1.043 135 T HN 0.272 nan 8.240 nan 0.000 0.461 136 F N 2.293 122.139 119.950 -0.173 0.000 2.458 136 F HA 0.506 5.033 4.527 -0.000 0.000 0.330 136 F C 0.741 176.479 175.800 -0.103 0.000 1.082 136 F CA -0.991 56.904 58.000 -0.175 0.000 0.995 136 F CB 1.503 40.329 39.000 -0.290 0.000 1.170 136 F HN 0.508 nan 8.300 nan 0.000 0.478 137 Q N 4.981 124.833 119.800 0.087 0.000 2.286 137 Q HA 0.071 4.411 4.340 -0.000 0.000 0.290 137 Q C -2.339 173.711 176.000 0.083 0.000 1.049 137 Q CA -1.490 54.355 55.803 0.070 0.000 0.923 137 Q CB 0.639 29.422 28.738 0.075 0.000 1.183 137 Q HN 0.214 nan 8.270 nan 0.000 0.383 138 P HA 0.047 nan 4.420 nan 0.000 0.271 138 P C 0.175 177.525 177.300 0.083 0.000 1.226 138 P CA 0.889 64.022 63.100 0.056 0.000 0.765 138 P CB 0.805 32.535 31.700 0.049 0.000 0.835 139 G N 2.628 111.479 108.800 0.086 0.000 2.176 139 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 139 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 139 G C 0.243 175.279 174.900 0.228 0.000 0.979 139 G CA 0.030 45.221 45.100 0.150 0.000 0.641 139 G HN 0.766 nan 8.290 nan 0.000 0.530 140 R N 0.163 120.774 120.500 0.187 0.000 2.368 140 R HA 0.455 4.795 4.340 -0.000 0.000 0.302 140 R C 0.499 176.966 176.300 0.278 0.000 1.002 140 R CA -0.992 55.261 56.100 0.256 0.000 0.929 140 R CB 0.409 30.837 30.300 0.214 0.000 1.073 140 R HN 0.277 nan 8.270 nan 0.000 0.464 141 W N 6.944 128.377 121.300 0.221 0.000 2.210 141 W HA 0.165 4.825 4.660 -0.000 0.000 0.330 141 W C -1.718 174.917 176.519 0.193 0.000 1.334 141 W CA 0.053 57.505 57.345 0.178 0.000 1.227 141 W CB 0.502 30.097 29.460 0.226 0.000 1.178 141 W HN 0.558 nan 8.180 nan 0.000 0.560 142 F N 8.571 128.030 119.950 -0.817 0.000 2.839 142 F HA 0.296 4.823 4.527 -0.000 0.000 0.344 142 F C -1.554 173.759 175.800 -0.811 0.000 1.242 142 F CA -0.990 56.660 58.000 -0.584 0.000 1.091 142 F CB 1.025 39.830 39.000 -0.326 0.000 1.374 142 F HN 0.193 nan 8.300 nan 0.000 0.553 143 M N 7.095 126.103 119.600 -0.988 0.000 2.085 143 M HA 0.469 4.949 4.480 -0.000 0.000 0.309 143 M C -0.840 175.122 176.300 -0.563 0.000 0.947 143 M CA -0.447 54.493 55.300 -0.599 0.000 0.918 143 M CB 1.174 33.644 32.600 -0.216 0.000 1.504 143 M HN 0.630 nan 8.290 nan 0.000 0.420 144 R N 3.311 123.628 120.500 -0.304 0.000 2.543 144 R HA 0.654 4.994 4.340 -0.000 0.000 0.277 144 R C -0.375 175.859 176.300 -0.110 0.000 1.074 144 R CA 0.033 56.049 56.100 -0.140 0.000 1.076 144 R CB 0.654 30.984 30.300 0.050 0.000 0.993 144 R HN 0.923 nan 8.270 nan 0.000 0.459 145 A N 3.340 126.111 122.820 -0.080 0.000 2.580 145 A HA 0.277 4.597 4.320 -0.000 0.000 0.244 145 A C 1.135 178.702 177.584 -0.028 0.000 1.045 145 A CA 0.915 52.924 52.037 -0.047 0.000 0.761 145 A CB -0.428 18.556 19.000 -0.027 0.000 0.962 145 A HN 1.423 nan 8.150 nan 0.000 0.512 146 A N 1.690 124.497 122.820 -0.022 0.000 3.250 146 A HA -0.160 4.160 4.320 -0.000 0.000 0.256 146 A C 0.289 177.863 177.584 -0.017 0.000 1.231 146 A CA 1.558 53.587 52.037 -0.014 0.000 1.193 146 A CB -2.324 16.671 19.000 -0.010 0.000 1.149 146 A HN 1.006 nan 8.150 nan 0.000 0.930 147 Q N -1.953 117.830 119.800 -0.028 0.000 2.342 147 Q HA 0.717 5.057 4.340 -0.000 0.000 0.267 147 Q C 0.850 176.833 176.000 -0.028 0.000 1.038 147 Q CA 0.012 55.793 55.803 -0.035 0.000 0.832 147 Q CB 1.936 30.640 28.738 -0.056 0.000 1.323 147 Q HN 0.906 nan 8.270 nan 0.000 0.448 148 A N 0.993 123.800 122.820 -0.023 0.000 2.197 148 A HA 0.509 4.829 4.320 -0.000 0.000 0.210 148 A C 0.396 177.964 177.584 -0.026 0.000 1.180 148 A CA 0.571 52.608 52.037 0.001 0.000 0.846 148 A CB 0.572 19.576 19.000 0.005 0.000 0.884 148 A HN 0.569 nan 8.150 nan 0.000 0.487 149 A N -0.106 122.670 122.820 -0.074 0.000 2.375 149 A HA 0.614 4.934 4.320 -0.000 0.000 0.291 149 A C -0.587 176.904 177.584 -0.155 0.000 1.160 149 A CA -0.211 51.752 52.037 -0.124 0.000 0.747 149 A CB 0.689 19.615 19.000 -0.123 0.000 1.170 149 A HN 0.017 nan 8.150 nan 0.000 0.458 150 T N 2.381 116.801 114.554 -0.223 0.000 2.864 150 T HA 0.586 4.936 4.350 -0.000 0.000 0.310 150 T C 0.101 174.635 174.700 -0.276 0.000 1.040 150 T CA 0.028 61.994 62.100 -0.224 0.000 0.977 150 T CB 1.077 69.819 68.868 -0.209 0.000 0.976 150 T HN 1.072 nan 8.240 nan 0.000 0.459 151 A N 3.063 125.728 122.820 -0.259 0.000 2.327 151 A HA 0.867 5.187 4.320 -0.000 0.000 0.283 151 A C -0.292 177.055 177.584 -0.396 0.000 1.127 151 A CA -0.551 51.304 52.037 -0.304 0.000 0.810 151 A CB 0.838 19.684 19.000 -0.256 0.000 1.066 151 A HN 0.686 nan 8.150 nan 0.000 0.492 152 V N 2.643 122.273 119.914 -0.473 0.000 3.147 152 V HA 0.494 4.614 4.120 -0.000 0.000 0.299 152 V C -0.331 175.448 176.094 -0.524 0.000 1.302 152 V CA -0.289 61.644 62.300 -0.611 0.000 1.015 152 V CB 2.290 33.502 31.823 -1.019 0.000 1.086 152 V HN 1.545 nan 8.190 nan 0.000 0.437 153 V N 4.143 123.769 119.914 -0.479 0.000 2.811 153 V HA 0.430 4.550 4.120 -0.000 0.000 0.302 153 V C 0.664 176.669 176.094 -0.148 0.000 1.063 153 V CA 0.830 62.884 62.300 -0.409 0.000 1.088 153 V CB 0.926 32.500 31.823 -0.416 0.000 0.982 153 V HN 1.617 nan 8.190 nan 0.000 0.485 154 C N 2.462 121.690 119.300 -0.122 0.000 3.798 154 C HA 0.869 5.329 4.460 -0.000 0.000 0.285 154 C C 0.664 175.656 174.990 0.003 0.000 1.968 154 C CA -0.001 59.004 59.018 -0.021 0.000 1.685 154 C CB -1.191 26.533 27.740 -0.026 0.000 3.276 154 C HN 1.722 nan 8.230 nan 0.000 0.525 155 G N 0.622 109.427 108.800 0.007 0.000 2.430 155 G HA2 0.541 4.501 3.960 -0.000 0.000 0.300 155 G HA3 0.541 4.501 3.960 -0.000 0.000 0.300 155 G C -2.906 172.073 174.900 0.131 0.000 1.330 155 G CA -0.373 44.766 45.100 0.065 0.000 0.813 155 G HN -0.192 nan 8.290 nan 0.000 0.487 156 P HA 0.123 nan 4.420 nan 0.000 0.222 156 P C 0.320 177.819 177.300 0.333 0.000 1.153 156 P CA 1.536 64.772 63.100 0.228 0.000 0.798 156 P CB 0.278 32.083 31.700 0.175 0.000 0.796 157 D N -2.760 117.825 120.400 0.309 0.000 2.760 157 D HA 0.281 4.921 4.640 -0.000 0.000 0.314 157 D C -0.231 176.264 176.300 0.324 0.000 1.464 157 D CA -0.155 54.059 54.000 0.358 0.000 0.797 157 D CB -0.210 40.757 40.800 0.278 0.000 1.149 157 D HN -0.001 nan 8.370 nan 0.000 0.455 158 M N 1.622 121.383 119.600 0.267 0.000 2.378 158 M HA 0.552 5.032 4.480 -0.000 0.000 0.289 158 M C -1.902 174.339 176.300 -0.098 0.000 1.136 158 M CA -0.773 54.592 55.300 0.108 0.000 0.917 158 M CB 2.535 35.181 32.600 0.076 0.000 1.669 158 M HN 0.214 nan 8.290 nan 0.000 0.461 159 I N 1.115 121.605 120.570 -0.133 0.000 2.865 159 I HA 0.791 4.961 4.170 -0.000 0.000 0.302 159 I C -1.623 174.392 176.117 -0.171 0.000 1.140 159 I CA -0.697 60.424 61.300 -0.300 0.000 1.021 159 I CB 2.522 40.221 38.000 -0.502 0.000 1.233 159 I HN 0.763 nan 8.210 nan 0.000 0.427 160 Q N 3.363 123.031 119.800 -0.219 0.000 2.305 160 Q HA 0.728 5.068 4.340 -0.000 0.000 0.271 160 Q C -1.885 173.969 176.000 -0.243 0.000 1.046 160 Q CA -0.981 54.716 55.803 -0.178 0.000 0.798 160 Q CB 2.815 31.464 28.738 -0.148 0.000 1.286 160 Q HN 0.590 nan 8.270 nan 0.000 0.435 161 V N 1.667 121.449 119.914 -0.219 0.000 2.483 161 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 161 V C -0.247 175.664 176.094 -0.304 0.000 1.035 161 V CA -0.626 61.520 62.300 -0.257 0.000 0.896 161 V CB 1.687 33.379 31.823 -0.217 0.000 0.986 161 V HN 0.861 nan 8.190 nan 0.000 0.447 162 S N 6.136 121.595 115.700 -0.402 0.000 2.420 162 S HA 0.608 5.078 4.470 -0.000 0.000 0.313 162 S C -0.563 173.819 174.600 -0.364 0.000 1.079 162 S CA -0.527 57.310 58.200 -0.604 0.000 1.104 162 S CB 0.485 62.977 63.200 -1.181 0.000 0.969 162 S HN 0.391 nan 8.310 nan 0.000 0.471 163 L N 3.556 124.739 121.223 -0.067 0.000 2.334 163 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 163 L C 0.199 177.264 176.870 0.325 0.000 1.013 163 L CA -0.577 54.305 54.840 0.069 0.000 0.816 163 L CB 1.297 43.356 42.059 -0.000 0.000 1.278 163 L HN 0.490 nan 8.230 nan 0.000 0.431 164 N N 0.617 119.454 118.700 0.228 0.000 2.489 164 N HA 0.443 5.183 4.740 -0.000 0.000 0.284 164 N C -0.132 175.434 175.510 0.094 0.000 1.158 164 N CA -0.483 52.688 53.050 0.202 0.000 0.965 164 N CB 1.621 40.200 38.487 0.154 0.000 1.195 164 N HN 0.682 nan 8.380 nan 0.000 0.506 165 A N -0.031 122.823 122.820 0.056 0.000 2.566 165 A HA 0.387 4.707 4.320 -0.000 0.000 0.245 165 A C 1.306 178.903 177.584 0.022 0.000 1.056 165 A CA 0.786 52.841 52.037 0.031 0.000 0.757 165 A CB -1.045 17.962 19.000 0.011 0.000 0.979 165 A HN 0.964 nan 8.150 nan 0.000 0.508 166 G N 0.853 109.662 108.800 0.014 0.000 2.155 166 G HA2 0.148 4.108 3.960 -0.000 0.000 0.257 166 G HA3 0.148 4.108 3.960 -0.000 0.000 0.257 166 G C 0.450 175.349 174.900 -0.000 0.000 0.983 166 G CA 0.565 45.668 45.100 0.005 0.000 0.676 166 G HN 2.198 nan 8.290 nan 0.000 0.528 167 A N -0.252 122.567 122.820 -0.002 0.000 2.303 167 A HA 0.978 5.298 4.320 -0.000 0.000 0.317 167 A C 0.452 177.999 177.584 -0.062 0.000 1.149 167 A CA 0.335 52.362 52.037 -0.017 0.000 0.822 167 A CB 0.799 19.799 19.000 0.001 0.000 1.131 167 A HN 1.429 nan 8.150 nan 0.000 0.493 168 R N 0.350 120.804 120.500 -0.077 0.000 2.817 168 R HA 0.883 5.223 4.340 -0.000 0.000 0.268 168 R C -0.223 175.991 176.300 -0.144 0.000 1.027 168 R CA -0.393 55.605 56.100 -0.169 0.000 0.928 168 R CB 1.419 31.641 30.300 -0.130 0.000 1.228 168 R HN 1.822 nan 8.270 nan 0.000 0.469 169 G N 0.487 109.109 108.800 -0.296 0.000 2.358 169 G HA2 0.216 4.176 3.960 -0.000 0.000 0.301 169 G HA3 0.216 4.176 3.960 -0.000 0.000 0.301 169 G C -2.011 172.870 174.900 -0.031 0.000 1.539 169 G CA -0.918 44.148 45.100 -0.056 0.000 0.893 169 G HN 0.500 nan 8.290 nan 0.000 0.636 170 D N -0.231 120.255 120.400 0.144 0.000 2.302 170 D HA 0.446 5.086 4.640 -0.000 0.000 0.248 170 D C 1.075 177.378 176.300 0.004 0.000 1.094 170 D CA -0.167 53.896 54.000 0.106 0.000 0.897 170 D CB 2.135 42.985 40.800 0.084 0.000 1.200 170 D HN 0.163 nan 8.370 nan 0.000 0.429 171 V N 1.985 121.887 119.914 -0.021 0.000 3.572 171 V HA -0.117 4.003 4.120 -0.000 0.000 0.260 171 V C 2.287 178.452 176.094 0.118 0.000 1.324 171 V CA -0.040 62.258 62.300 -0.004 0.000 1.068 171 V CB -0.070 31.723 31.823 -0.050 0.000 0.837 171 V HN 0.527 nan 8.190 nan 0.000 0.450 172 Q N 2.247 122.127 119.800 0.133 0.000 2.207 172 Q HA -0.371 3.969 4.340 -0.000 0.000 0.215 172 Q C 1.839 178.098 176.000 0.431 0.000 1.006 172 Q CA 2.675 58.688 55.803 0.350 0.000 0.903 172 Q CB -0.990 27.950 28.738 0.336 0.000 0.947 172 Q HN 0.801 nan 8.270 nan 0.000 0.414 173 Q N 0.571 120.509 119.800 0.230 0.000 2.368 173 Q HA -0.127 4.213 4.340 -0.000 0.000 0.210 173 Q C 1.953 178.037 176.000 0.141 0.000 0.982 173 Q CA 1.413 57.316 55.803 0.167 0.000 0.884 173 Q CB -0.657 28.135 28.738 0.089 0.000 0.933 173 Q HN 0.551 nan 8.270 nan 0.000 0.460 174 I N -0.035 120.598 120.570 0.105 0.000 2.439 174 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 174 I C 1.435 177.548 176.117 -0.007 0.000 1.139 174 I CA 0.924 62.178 61.300 -0.077 0.000 1.438 174 I CB -0.081 37.721 38.000 -0.331 0.000 1.085 174 I HN -0.034 nan 8.210 nan 0.000 0.427 175 F N 0.407 120.462 119.950 0.175 0.000 2.179 175 F HA 0.101 4.628 4.527 -0.000 0.000 0.292 175 F C 1.562 177.441 175.800 0.131 0.000 1.089 175 F CA 0.284 58.353 58.000 0.115 0.000 1.295 175 F CB -1.039 37.985 39.000 0.040 0.000 1.041 175 F HN -0.049 nan 8.300 nan 0.000 0.487 176 Q N 0.019 120.023 119.800 0.339 0.000 2.414 176 Q HA 0.262 4.602 4.340 -0.000 0.000 0.288 176 Q C 1.399 177.501 176.000 0.170 0.000 1.086 176 Q CA 1.014 56.941 55.803 0.208 0.000 0.943 176 Q CB 0.081 28.915 28.738 0.160 0.000 1.282 176 Q HN 0.536 nan 8.270 nan 0.000 0.438 177 G N 1.039 109.913 108.800 0.123 0.000 2.383 177 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.229 177 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.229 177 G C -0.158 174.799 174.900 0.095 0.000 1.089 177 G CA 0.096 45.252 45.100 0.094 0.000 0.640 177 G HN 0.570 nan 8.290 nan 0.000 0.510 178 R N 1.317 121.907 120.500 0.150 0.000 2.410 178 R HA 0.611 4.951 4.340 -0.000 0.000 0.288 178 R C 0.994 177.309 176.300 0.026 0.000 1.051 178 R CA 0.029 56.200 56.100 0.119 0.000 1.021 178 R CB 0.396 30.834 30.300 0.229 0.000 1.032 178 R HN 0.618 nan 8.270 nan 0.000 0.481 179 N N 0.500 119.171 118.700 -0.048 0.000 1.175 179 N HA -0.349 4.391 4.740 -0.000 0.000 0.114 179 N C -0.502 174.987 175.510 -0.035 0.000 0.804 179 N CA 1.838 54.838 53.050 -0.083 0.000 0.858 179 N CB -0.535 37.815 38.487 -0.228 0.000 1.032 179 N HN 0.872 nan 8.380 nan 0.000 0.617 180 D N -0.421 119.961 120.400 -0.030 0.000 3.937 180 D HA 0.217 4.857 4.640 -0.000 0.000 0.250 180 D C -2.884 173.416 176.300 0.001 0.000 1.434 180 D CA -0.733 53.256 54.000 -0.018 0.000 0.834 180 D CB 0.269 41.050 40.800 -0.032 0.000 1.395 180 D HN 0.334 nan 8.370 nan 0.000 0.778 181 P HA 0.177 nan 4.420 nan 0.000 0.271 181 P C 0.441 177.744 177.300 0.005 0.000 1.233 181 P CA -0.329 62.825 63.100 0.090 0.000 0.789 181 P CB 1.131 32.937 31.700 0.177 0.000 0.951 182 M N -0.857 118.756 119.600 0.021 0.000 2.449 182 M HA 0.251 4.731 4.480 -0.000 0.000 0.262 182 M C 0.330 176.593 176.300 -0.061 0.000 1.152 182 M CA 0.574 55.860 55.300 -0.025 0.000 1.104 182 M CB 0.344 32.951 32.600 0.011 0.000 1.416 182 M HN 0.255 nan 8.290 nan 0.000 0.519 183 M N 0.818 120.406 119.600 -0.019 0.000 2.307 183 M HA 0.479 4.959 4.480 -0.000 0.000 0.279 183 M C -2.222 174.038 176.300 -0.068 0.000 1.080 183 M CA -0.317 54.906 55.300 -0.128 0.000 0.964 183 M CB 1.896 34.457 32.600 -0.065 0.000 1.825 183 M HN 0.039 nan 8.290 nan 0.000 0.489 184 I N 4.715 125.137 120.570 -0.247 0.000 2.389 184 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 184 I C -1.312 174.640 176.117 -0.275 0.000 0.999 184 I CA -0.777 60.487 61.300 -0.059 0.000 1.129 184 I CB 1.407 39.387 38.000 -0.034 0.000 1.288 184 I HN 0.564 nan 8.210 nan 0.000 0.444 185 Y N 6.507 126.732 120.300 -0.126 0.000 2.425 185 Y HA 0.431 4.981 4.550 -0.000 0.000 0.347 185 Y C -0.158 175.669 175.900 -0.121 0.000 0.976 185 Y CA -0.528 57.422 58.100 -0.250 0.000 1.190 185 Y CB 0.582 38.570 38.460 -0.786 0.000 1.136 185 Y HN 0.330 nan 8.280 nan 0.000 0.517 186 L N 3.083 124.327 121.223 0.035 0.000 2.331 186 L HA 0.734 5.074 4.340 -0.000 0.000 0.268 186 L C -0.608 176.322 176.870 0.099 0.000 1.015 186 L CA -1.308 53.581 54.840 0.082 0.000 0.807 186 L CB 1.947 44.039 42.059 0.055 0.000 1.293 186 L HN 0.332 nan 8.230 nan 0.000 0.451 187 V N 2.375 122.365 119.914 0.128 0.000 2.795 187 V HA 0.328 4.448 4.120 -0.000 0.000 0.272 187 V C -1.530 174.641 176.094 0.128 0.000 1.130 187 V CA -0.593 61.764 62.300 0.096 0.000 0.931 187 V CB 0.957 32.810 31.823 0.052 0.000 1.062 187 V HN 0.757 nan 8.190 nan 0.000 0.476 188 W N 6.535 127.835 121.300 -0.001 0.000 2.375 188 W HA 0.850 5.510 4.660 -0.000 0.000 0.336 188 W C -0.952 175.566 176.519 -0.002 0.000 1.160 188 W CA -0.812 56.529 57.345 -0.007 0.000 1.266 188 W CB 1.048 30.486 29.460 -0.037 0.000 1.195 188 W HN 0.565 nan 8.180 nan 0.000 0.599 189 R N 1.738 122.271 120.500 0.055 0.000 2.808 189 R HA 0.476 4.816 4.340 -0.000 0.000 0.272 189 R C -0.591 175.768 176.300 0.099 0.000 0.995 189 R CA -1.346 54.666 56.100 -0.148 0.000 0.917 189 R CB 2.660 32.914 30.300 -0.078 0.000 1.217 189 R HN 0.447 nan 8.270 nan 0.000 0.471 190 R N 1.152 121.669 120.500 0.028 0.000 2.297 190 R HA 0.342 4.682 4.340 -0.000 0.000 0.308 190 R C -0.127 176.236 176.300 0.106 0.000 1.029 190 R CA -0.329 55.856 56.100 0.142 0.000 0.929 190 R CB 0.763 31.139 30.300 0.126 0.000 1.046 190 R HN 0.451 nan 8.270 nan 0.000 0.461 191 I N 3.386 124.030 120.570 0.123 0.000 2.227 191 I HA -0.000 4.170 4.170 -0.000 0.000 0.297 191 I C 1.148 177.422 176.117 0.263 0.000 1.173 191 I CA 0.030 61.421 61.300 0.152 0.000 1.356 191 I CB 0.688 38.750 38.000 0.103 0.000 1.485 191 I HN 0.602 nan 8.210 nan 0.000 0.604 192 E N 3.752 124.060 120.200 0.181 0.000 2.333 192 E HA -0.166 4.184 4.350 -0.000 0.000 0.200 192 E C 0.316 177.011 176.600 0.159 0.000 1.010 192 E CA 1.063 57.558 56.400 0.159 0.000 0.841 192 E CB 0.062 29.815 29.700 0.087 0.000 0.757 192 E HN 0.604 nan 8.360 nan 0.000 0.508 193 N N -0.431 118.391 118.700 0.203 0.000 2.699 193 N HA 0.091 4.831 4.740 -0.000 0.000 0.271 193 N C -1.486 174.145 175.510 0.201 0.000 1.216 193 N CA -0.353 52.761 53.050 0.106 0.000 0.844 193 N CB 0.226 38.740 38.487 0.045 0.000 1.462 193 N HN -0.050 nan 8.380 nan 0.000 0.555 194 F N 1.314 121.305 119.950 0.068 0.000 2.618 194 F HA 0.909 5.436 4.527 -0.000 0.000 0.332 194 F C -0.236 175.617 175.800 0.089 0.000 1.061 194 F CA -1.269 56.786 58.000 0.093 0.000 0.974 194 F CB 0.545 39.628 39.000 0.138 0.000 1.310 194 F HN 0.233 nan 8.300 nan 0.000 0.491 195 A N 2.700 125.696 122.820 0.294 0.000 2.309 195 A HA 0.662 4.982 4.320 -0.000 0.000 0.298 195 A C -0.242 177.507 177.584 0.275 0.000 1.165 195 A CA -0.702 51.440 52.037 0.176 0.000 0.821 195 A CB 0.367 19.468 19.000 0.169 0.000 1.102 195 A HN 0.719 nan 8.150 nan 0.000 0.500 196 M N 1.705 121.372 119.600 0.112 0.000 2.368 196 M HA 0.320 4.800 4.480 -0.000 0.000 0.311 196 M C 1.689 178.078 176.300 0.148 0.000 1.168 196 M CA -0.090 55.270 55.300 0.099 0.000 1.044 196 M CB 0.955 33.495 32.600 -0.100 0.000 1.506 196 M HN 0.916 nan 8.290 nan 0.000 0.475 197 A N 1.180 124.104 122.820 0.175 0.000 1.985 197 A HA -0.230 4.090 4.320 -0.000 0.000 0.223 197 A C 1.757 179.401 177.584 0.101 0.000 1.189 197 A CA 1.828 53.973 52.037 0.180 0.000 0.658 197 A CB -0.411 18.682 19.000 0.156 0.000 0.820 197 A HN 0.817 nan 8.150 nan 0.000 0.464 198 Q N -2.822 117.008 119.800 0.049 0.000 2.250 198 Q HA 0.187 4.527 4.340 -0.000 0.000 0.200 198 Q C 1.527 177.546 176.000 0.031 0.000 0.941 198 Q CA 1.271 57.091 55.803 0.028 0.000 0.872 198 Q CB 0.250 28.987 28.738 -0.002 0.000 0.965 198 Q HN 1.089 nan 8.270 nan 0.000 0.480 199 G N 1.407 110.227 108.800 0.032 0.000 2.273 199 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.162 199 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.162 199 G C -0.153 174.748 174.900 0.002 0.000 1.006 199 G CA -0.082 45.036 45.100 0.030 0.000 0.704 199 G HN 0.488 nan 8.290 nan 0.000 0.487 200 N N 0.564 119.248 118.700 -0.025 0.000 2.530 200 N HA 0.551 5.291 4.740 -0.000 0.000 0.277 200 N C 0.159 175.611 175.510 -0.097 0.000 1.168 200 N CA 0.075 53.089 53.050 -0.059 0.000 0.979 200 N CB 1.235 39.676 38.487 -0.077 0.000 1.141 200 N HN 0.030 nan 8.380 nan 0.000 0.459 201 S N 0.335 115.971 115.700 -0.108 0.000 2.548 201 S HA 0.110 4.580 4.470 -0.000 0.000 0.277 201 S C -0.222 174.219 174.600 -0.264 0.000 1.315 201 S CA -0.436 57.669 58.200 -0.158 0.000 1.050 201 S CB 0.657 63.795 63.200 -0.104 0.000 0.918 201 S HN 0.688 nan 8.310 nan 0.000 0.497 202 Q N 1.698 121.211 119.800 -0.479 0.000 2.372 202 Q HA 0.486 4.826 4.340 -0.000 0.000 0.273 202 Q C -1.313 174.281 176.000 -0.677 0.000 1.078 202 Q CA -0.574 54.841 55.803 -0.646 0.000 0.806 202 Q CB 1.419 29.581 28.738 -0.961 0.000 1.332 202 Q HN 0.548 nan 8.270 nan 0.000 0.435 203 Q N 0.388 119.996 119.800 -0.320 0.000 2.205 203 Q HA 0.630 4.970 4.340 -0.000 0.000 0.249 203 Q C -1.040 175.024 176.000 0.107 0.000 0.948 203 Q CA -0.221 55.530 55.803 -0.088 0.000 0.895 203 Q CB 2.045 30.762 28.738 -0.036 0.000 1.249 203 Q HN 0.645 nan 8.270 nan 0.000 0.458 204 T N 2.812 117.510 114.554 0.240 0.000 2.770 204 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 204 T C -0.795 173.998 174.700 0.154 0.000 0.988 204 T CA -0.801 61.468 62.100 0.282 0.000 0.957 204 T CB 0.860 69.922 68.868 0.322 0.000 0.930 204 T HN 0.294 nan 8.240 nan 0.000 0.443 205 Q N 1.747 121.619 119.800 0.120 0.000 2.293 205 Q HA 0.493 4.833 4.340 -0.000 0.000 0.251 205 Q C 0.049 176.101 176.000 0.086 0.000 0.930 205 Q CA -0.467 55.385 55.803 0.082 0.000 0.893 205 Q CB 1.083 29.857 28.738 0.059 0.000 1.215 205 Q HN 0.835 nan 8.270 nan 0.000 0.425 206 A N 0.974 123.837 122.820 0.071 0.000 2.515 206 A HA 0.457 4.777 4.320 -0.000 0.000 0.263 206 A C 1.025 178.651 177.584 0.070 0.000 1.096 206 A CA 0.910 52.991 52.037 0.073 0.000 0.769 206 A CB -0.448 18.584 19.000 0.052 0.000 1.040 206 A HN 0.874 nan 8.150 nan 0.000 0.505 207 G N 1.539 110.392 108.800 0.089 0.000 3.743 207 G HA2 0.052 4.012 3.960 -0.000 0.000 0.220 207 G HA3 0.052 4.012 3.960 -0.000 0.000 0.220 207 G C 0.045 174.986 174.900 0.068 0.000 0.914 207 G CA 0.093 45.235 45.100 0.069 0.000 0.851 207 G HN 1.017 nan 8.290 nan 0.000 0.573 208 V N 2.881 122.849 119.914 0.090 0.000 2.655 208 V HA 0.532 4.652 4.120 -0.000 0.000 0.300 208 V C 0.871 176.982 176.094 0.029 0.000 1.044 208 V CA 0.912 63.237 62.300 0.042 0.000 1.095 208 V CB 0.886 32.749 31.823 0.067 0.000 0.952 208 V HN 0.710 nan 8.190 nan 0.000 0.485 209 T N 1.261 115.736 114.554 -0.132 0.000 2.906 209 T HA 0.785 5.135 4.350 -0.000 0.000 0.295 209 T C -0.968 173.433 174.700 -0.498 0.000 1.075 209 T CA -0.795 61.178 62.100 -0.211 0.000 1.005 209 T CB 1.948 70.767 68.868 -0.082 0.000 1.136 209 T HN 0.355 nan 8.240 nan 0.000 0.498 210 V N 2.474 122.008 119.914 -0.634 0.000 2.488 210 V HA 0.645 4.765 4.120 -0.000 0.000 0.293 210 V C -0.164 175.705 176.094 -0.374 0.000 1.027 210 V CA -0.810 61.063 62.300 -0.712 0.000 0.862 210 V CB 1.452 32.467 31.823 -1.348 0.000 1.008 210 V HN 1.233 nan 8.190 nan 0.000 0.428 211 S N 4.071 119.627 115.700 -0.239 0.000 2.482 211 S HA 0.852 5.322 4.470 -0.000 0.000 0.303 211 S C -0.761 173.750 174.600 -0.147 0.000 1.091 211 S CA -0.765 57.358 58.200 -0.128 0.000 1.057 211 S CB 2.000 65.172 63.200 -0.047 0.000 1.031 211 S HN 0.391 nan 8.310 nan 0.000 0.485 212 V N 2.367 122.196 119.914 -0.142 0.000 2.435 212 V HA 0.686 4.806 4.120 -0.000 0.000 0.290 212 V C 1.381 177.427 176.094 -0.081 0.000 1.030 212 V CA 0.031 62.225 62.300 -0.177 0.000 0.881 212 V CB 0.521 32.216 31.823 -0.214 0.000 0.983 212 V HN 1.494 nan 8.190 nan 0.000 0.445 213 G N 3.157 111.920 108.800 -0.061 0.000 2.244 213 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.274 213 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.274 213 G C 1.194 176.073 174.900 -0.035 0.000 1.002 213 G CA 1.249 46.335 45.100 -0.024 0.000 0.740 213 G HN 2.201 nan 8.290 nan 0.000 0.516 214 G N -2.653 106.117 108.800 -0.050 0.000 2.376 214 G HA2 0.005 3.965 3.960 -0.000 0.000 0.208 214 G HA3 0.005 3.965 3.960 -0.000 0.000 0.208 214 G C 0.785 175.669 174.900 -0.027 0.000 1.032 214 G CA 0.760 45.834 45.100 -0.044 0.000 0.641 214 G HN 1.857 nan 8.290 nan 0.000 0.503 215 V N 2.280 122.181 119.914 -0.021 0.000 2.555 215 V HA 0.515 4.635 4.120 -0.000 0.000 0.286 215 V C 0.234 176.321 176.094 -0.013 0.000 1.044 215 V CA 0.242 62.536 62.300 -0.009 0.000 1.026 215 V CB 1.277 33.100 31.823 0.000 0.000 0.981 215 V HN 0.396 nan 8.190 nan 0.000 0.480 216 D N 6.122 126.523 120.400 0.002 0.000 2.351 216 D HA 0.313 4.953 4.640 -0.000 0.000 0.251 216 D C -0.265 176.062 176.300 0.044 0.000 1.137 216 D CA -0.044 53.962 54.000 0.010 0.000 0.879 216 D CB 0.553 41.367 40.800 0.023 0.000 1.181 216 D HN 0.389 nan 8.370 nan 0.000 0.448 217 M N 2.776 122.419 119.600 0.072 0.000 2.364 217 M HA 0.373 4.853 4.480 -0.000 0.000 0.334 217 M C 0.288 176.805 176.300 0.362 0.000 1.107 217 M CA -0.550 54.852 55.300 0.170 0.000 0.988 217 M CB 1.679 34.372 32.600 0.155 0.000 1.673 217 M HN 0.317 nan 8.290 nan 0.000 0.441 218 R N 0.802 121.451 120.500 0.248 0.000 2.774 218 R HA 0.582 4.922 4.340 -0.000 0.000 0.269 218 R C 0.063 176.368 176.300 0.008 0.000 1.068 218 R CA -0.282 55.919 56.100 0.168 0.000 1.180 218 R CB 0.474 30.798 30.300 0.040 0.000 1.077 218 R HN 0.813 nan 8.270 nan 0.000 0.513 219 A N 0.332 122.891 122.820 -0.436 0.000 2.309 219 A HA 0.505 4.825 4.320 -0.000 0.000 0.298 219 A C 0.925 178.145 177.584 -0.606 0.000 1.165 219 A CA 0.258 51.553 52.037 -1.236 0.000 0.821 219 A CB 0.741 18.799 19.000 -1.570 0.000 1.102 219 A HN 0.845 nan 8.150 nan 0.000 0.500 220 G N 0.920 109.404 108.800 -0.526 0.000 2.176 220 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 220 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 220 G C 0.272 175.093 174.900 -0.130 0.000 0.979 220 G CA 0.595 45.545 45.100 -0.251 0.000 0.641 220 G HN 0.862 nan 8.290 nan 0.000 0.530 221 R N -0.317 120.116 120.500 -0.112 0.000 2.732 221 R HA 0.772 5.112 4.340 -0.000 0.000 0.278 221 R C 0.767 177.079 176.300 0.021 0.000 0.976 221 R CA -0.837 55.249 56.100 -0.023 0.000 0.963 221 R CB 0.710 31.008 30.300 -0.003 0.000 1.150 221 R HN 0.245 nan 8.270 nan 0.000 0.478 222 I N 3.210 123.813 120.570 0.055 0.000 2.575 222 I HA 0.184 4.354 4.170 -0.000 0.000 0.285 222 I C -0.174 175.999 176.117 0.093 0.000 1.085 222 I CA 0.047 61.400 61.300 0.088 0.000 1.403 222 I CB 0.563 38.636 38.000 0.122 0.000 1.409 222 I HN 0.354 nan 8.210 nan 0.000 0.557 223 I N 5.238 125.857 120.570 0.082 0.000 2.439 223 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 223 I C 0.160 176.253 176.117 -0.039 0.000 1.021 223 I CA -0.223 61.105 61.300 0.047 0.000 1.091 223 I CB 1.841 39.870 38.000 0.047 0.000 1.242 223 I HN 0.567 nan 8.210 nan 0.000 0.439 224 A N 6.192 128.974 122.820 -0.063 0.000 2.457 224 A HA 0.280 4.600 4.320 -0.000 0.000 0.298 224 A C -1.121 176.402 177.584 -0.102 0.000 1.288 224 A CA -0.112 51.771 52.037 -0.257 0.000 0.956 224 A CB -0.367 18.570 19.000 -0.105 0.000 1.135 224 A HN 0.687 nan 8.150 nan 0.000 0.535 225 W N 4.437 125.510 121.300 -0.378 0.000 2.429 225 W HA 0.384 5.044 4.660 -0.000 0.000 0.314 225 W C 0.368 176.743 176.519 -0.240 0.000 1.062 225 W CA -1.388 55.795 57.345 -0.269 0.000 1.211 225 W CB 1.179 30.467 29.460 -0.286 0.000 1.305 225 W HN 0.779 nan 8.180 nan 0.000 0.476 226 D N 2.950 123.120 120.400 -0.384 0.000 2.378 226 D HA 0.008 4.648 4.640 -0.000 0.000 0.227 226 D C 1.553 177.358 176.300 -0.825 0.000 1.012 226 D CA 0.848 54.566 54.000 -0.470 0.000 0.905 226 D CB -0.180 40.501 40.800 -0.198 0.000 0.895 226 D HN 0.828 nan 8.370 nan 0.000 0.532 227 G N 0.733 108.366 108.800 -1.945 0.000 2.212 227 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.266 227 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.266 227 G C 1.187 175.629 174.900 -0.764 0.000 0.978 227 G CA 0.555 44.535 45.100 -1.867 0.000 0.632 227 G HN 0.384 nan 8.290 nan 0.000 0.537 228 Q N -0.330 119.262 119.800 -0.347 0.000 2.442 228 Q HA 0.511 4.851 4.340 -0.000 0.000 0.228 228 Q C 1.776 177.893 176.000 0.196 0.000 0.902 228 Q CA 0.840 56.634 55.803 -0.016 0.000 0.933 228 Q CB -0.076 28.634 28.738 -0.048 0.000 1.071 228 Q HN 1.026 nan 8.270 nan 0.000 0.562 229 A N 1.502 124.529 122.820 0.346 0.000 2.475 229 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 229 A C 0.155 177.899 177.584 0.265 0.000 1.087 229 A CA 0.452 52.681 52.037 0.319 0.000 0.779 229 A CB 0.022 19.212 19.000 0.318 0.000 1.036 229 A HN 0.257 nan 8.150 nan 0.000 0.506 230 A N 0.928 123.792 122.820 0.073 0.000 2.444 230 A HA 0.430 4.750 4.320 -0.000 0.000 0.287 230 A C 0.013 177.517 177.584 -0.134 0.000 1.195 230 A CA -0.242 51.787 52.037 -0.013 0.000 0.858 230 A CB -0.622 18.350 19.000 -0.047 0.000 1.117 230 A HN 1.292 nan 8.150 nan 0.000 0.521 231 L N 4.357 125.440 121.223 -0.233 0.000 2.356 231 L HA 0.310 4.650 4.340 -0.000 0.000 0.282 231 L C -0.195 176.561 176.870 -0.190 0.000 1.132 231 L CA 0.145 54.727 54.840 -0.429 0.000 0.923 231 L CB -0.610 41.029 42.059 -0.699 0.000 1.278 231 L HN 0.689 nan 8.230 nan 0.000 0.436 232 H N 2.806 121.711 119.070 -0.275 0.000 2.467 232 H HA 0.666 5.222 4.556 -0.000 0.000 0.326 232 H C -1.069 174.102 175.328 -0.263 0.000 1.094 232 H CA -0.514 55.404 56.048 -0.217 0.000 1.253 232 H CB 1.345 31.010 29.762 -0.161 0.000 1.439 232 H HN 0.337 nan 8.280 nan 0.000 0.479 233 V N 6.267 125.801 119.914 -0.633 0.000 2.495 233 V HA 0.547 4.667 4.120 -0.000 0.000 0.298 233 V C -0.064 175.668 176.094 -0.604 0.000 1.031 233 V CA -0.854 61.114 62.300 -0.553 0.000 0.871 233 V CB 1.607 33.180 31.823 -0.416 0.000 0.988 233 V HN 0.752 nan 8.190 nan 0.000 0.432 234 R N 2.661 122.912 120.500 -0.414 0.000 2.686 234 R HA 0.514 4.854 4.340 -0.000 0.000 0.286 234 R C -0.905 175.296 176.300 -0.166 0.000 0.969 234 R CA -0.773 55.164 56.100 -0.271 0.000 0.898 234 R CB 1.932 32.127 30.300 -0.175 0.000 1.183 234 R HN 0.677 nan 8.270 nan 0.000 0.456 235 N N 3.076 121.713 118.700 -0.104 0.000 2.746 235 N HA 0.209 4.949 4.740 -0.000 0.000 0.250 235 N C -2.137 173.361 175.510 -0.019 0.000 1.146 235 N CA -2.170 50.852 53.050 -0.048 0.000 0.828 235 N CB 1.233 39.704 38.487 -0.026 0.000 1.158 235 N HN 0.307 nan 8.380 nan 0.000 0.519 236 P HA 0.021 nan 4.420 nan 0.000 0.241 236 P C 0.198 177.504 177.300 0.010 0.000 1.191 236 P CA 0.246 63.346 63.100 0.000 0.000 0.771 236 P CB 0.255 31.956 31.700 0.002 0.000 0.929 237 T N 2.102 116.667 114.554 0.018 0.000 2.930 237 T HA 0.060 4.410 4.350 -0.000 0.000 0.306 237 T C 0.992 175.705 174.700 0.022 0.000 1.045 237 T CA 0.103 62.219 62.100 0.026 0.000 1.134 237 T CB 0.256 69.149 68.868 0.043 0.000 0.961 237 T HN 0.001 nan 8.240 nan 0.000 0.545 238 Q N 3.437 123.246 119.800 0.016 0.000 2.404 238 Q HA 0.240 4.580 4.340 -0.000 0.000 0.272 238 Q C 0.158 176.161 176.000 0.004 0.000 0.939 238 Q CA 0.372 56.180 55.803 0.008 0.000 0.945 238 Q CB -0.018 28.721 28.738 0.002 0.000 1.195 238 Q HN 0.640 nan 8.270 nan 0.000 0.415 239 Q N -0.493 119.317 119.800 0.016 0.000 2.737 239 Q HA 0.314 4.654 4.340 -0.000 0.000 0.307 239 Q C -1.005 175.020 176.000 0.042 0.000 0.905 239 Q CA -0.814 54.996 55.803 0.012 0.000 0.753 239 Q CB 1.352 30.102 28.738 0.019 0.000 1.463 239 Q HN 0.228 nan 8.270 nan 0.000 0.455 240 N N -0.219 118.500 118.700 0.033 0.000 2.514 240 N HA 0.524 5.264 4.740 -0.000 0.000 0.277 240 N C -1.175 174.522 175.510 0.312 0.000 1.126 240 N CA -0.011 53.096 53.050 0.095 0.000 0.978 240 N CB 1.143 39.524 38.487 -0.178 0.000 1.106 240 N HN 0.500 nan 8.380 nan 0.000 0.461 241 A N 2.064 125.064 122.820 0.301 0.000 2.454 241 A HA 0.779 5.099 4.320 -0.000 0.000 0.302 241 A C -0.966 176.589 177.584 -0.047 0.000 1.079 241 A CA -0.619 51.535 52.037 0.195 0.000 0.731 241 A CB 1.239 20.312 19.000 0.121 0.000 1.299 241 A HN 0.586 nan 8.150 nan 0.000 0.413 242 M N 2.106 121.517 119.600 -0.314 0.000 2.271 242 M HA 0.444 4.924 4.480 -0.000 0.000 0.285 242 M C -1.050 175.142 176.300 -0.180 0.000 1.059 242 M CA -0.675 54.361 55.300 -0.440 0.000 0.940 242 M CB 2.129 34.130 32.600 -0.999 0.000 1.636 242 M HN 0.735 nan 8.290 nan 0.000 0.460 243 V N 1.436 121.291 119.914 -0.099 0.000 2.864 243 V HA 0.753 4.873 4.120 -0.000 0.000 0.314 243 V C -0.944 175.163 176.094 0.022 0.000 1.073 243 V CA -0.752 61.575 62.300 0.044 0.000 0.956 243 V CB 1.807 33.699 31.823 0.114 0.000 1.023 243 V HN 0.948 nan 8.190 nan 0.000 0.435 244 Q N 2.869 122.728 119.800 0.098 0.000 2.331 244 Q HA 0.760 5.100 4.340 -0.000 0.000 0.267 244 Q C -1.365 174.722 176.000 0.145 0.000 1.006 244 Q CA -0.694 55.151 55.803 0.071 0.000 0.818 244 Q CB 2.246 31.017 28.738 0.056 0.000 1.276 244 Q HN 0.792 nan 8.270 nan 0.000 0.450 245 I N 2.697 123.339 120.570 0.121 0.000 2.354 245 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 245 I C -0.367 175.869 176.117 0.198 0.000 0.989 245 I CA -0.684 60.731 61.300 0.191 0.000 1.188 245 I CB 1.838 39.955 38.000 0.195 0.000 1.342 245 I HN 0.696 nan 8.210 nan 0.000 0.457 246 Q N 5.585 125.506 119.800 0.202 0.000 2.316 246 Q HA 0.435 4.775 4.340 -0.000 0.000 0.264 246 Q C -1.428 174.706 176.000 0.223 0.000 0.987 246 Q CA -0.704 55.221 55.803 0.204 0.000 0.852 246 Q CB 2.466 31.297 28.738 0.155 0.000 1.287 246 Q HN 0.491 nan 8.270 nan 0.000 0.448 247 V N 5.723 125.797 119.914 0.267 0.000 2.299 247 V HA 0.027 4.147 4.120 -0.000 0.000 0.255 247 V C 1.093 177.337 176.094 0.249 0.000 1.100 247 V CA 0.033 62.486 62.300 0.255 0.000 0.938 247 V CB 0.598 32.583 31.823 0.270 0.000 1.139 247 V HN 0.816 nan 8.190 nan 0.000 0.490 248 V N 6.715 126.741 119.914 0.186 0.000 2.343 248 V HA -0.011 4.109 4.120 -0.000 0.000 0.247 248 V C 0.445 176.756 176.094 0.361 0.000 1.051 248 V CA 2.246 64.675 62.300 0.215 0.000 1.036 248 V CB -0.200 31.714 31.823 0.152 0.000 0.654 248 V HN 0.879 nan 8.190 nan 0.000 0.451 249 F N -1.972 118.168 119.950 0.317 0.000 2.829 249 F HA 0.583 5.110 4.527 -0.000 0.000 0.319 249 F C -1.302 174.814 175.800 0.527 0.000 1.153 249 F CA -1.619 56.591 58.000 0.349 0.000 0.912 249 F CB 0.312 39.393 39.000 0.135 0.000 1.292 249 F HN 0.151 nan 8.300 nan 0.000 0.447 250 Y N 1.432 122.040 120.300 0.514 0.000 2.677 250 Y HA 0.898 5.448 4.550 -0.000 0.000 0.334 250 Y C -1.127 175.010 175.900 0.395 0.000 1.154 250 Y CA -2.545 55.814 58.100 0.430 0.000 1.070 250 Y CB 1.205 39.830 38.460 0.274 0.000 1.294 250 Y HN 0.921 nan 8.280 nan 0.000 0.475 251 I N 0.696 121.420 120.570 0.256 0.000 2.647 251 I HA 0.945 5.115 4.170 -0.000 0.000 0.295 251 I C -0.737 175.397 176.117 0.028 0.000 1.078 251 I CA -0.789 60.542 61.300 0.052 0.000 1.048 251 I CB 2.418 40.525 38.000 0.180 0.000 1.239 251 I HN 0.879 nan 8.210 nan 0.000 0.421 252 S N 4.336 120.002 115.700 -0.056 0.000 2.705 252 S HA 0.568 5.038 4.470 -0.000 0.000 0.280 252 S C -0.381 174.218 174.600 -0.003 0.000 1.174 252 S CA -0.943 57.250 58.200 -0.012 0.000 0.823 252 S CB 2.019 65.211 63.200 -0.014 0.000 1.162 252 S HN 0.801 nan 8.310 nan 0.000 0.487 253 M N 1.719 121.328 119.600 0.014 0.000 3.029 253 M HA 0.326 4.806 4.480 -0.000 0.000 0.267 253 M C -1.163 175.203 176.300 0.110 0.000 1.270 253 M CA -0.053 55.284 55.300 0.062 0.000 1.101 253 M CB -0.471 32.146 32.600 0.029 0.000 1.266 253 M HN 0.502 nan 8.290 nan 0.000 0.503 254 D N 1.184 121.620 120.400 0.060 0.000 2.192 254 D HA 0.237 4.877 4.640 -0.000 0.000 0.246 254 D C -0.185 176.148 176.300 0.054 0.000 1.042 254 D CA -0.373 53.668 54.000 0.068 0.000 0.847 254 D CB 1.350 42.166 40.800 0.026 0.000 1.186 254 D HN -0.058 nan 8.370 nan 0.000 0.461 255 K N 1.330 121.772 120.400 0.070 0.000 2.412 255 K HA 0.171 4.491 4.320 -0.000 0.000 0.281 255 K C 0.683 177.300 176.600 0.028 0.000 1.027 255 K CA -0.015 56.298 56.287 0.044 0.000 0.989 255 K CB 0.444 32.968 32.500 0.040 0.000 0.935 255 K HN 0.564 nan 8.250 nan 0.000 0.475 256 T N -1.417 113.139 114.554 0.003 0.000 2.844 256 T HA 0.334 4.684 4.350 -0.000 0.000 0.274 256 T C 1.049 175.748 174.700 -0.002 0.000 0.991 256 T CA -0.846 61.242 62.100 -0.021 0.000 0.983 256 T CB 0.517 69.343 68.868 -0.069 0.000 1.310 256 T HN 0.189 nan 8.240 nan 0.000 0.596 257 L N 0.612 121.825 121.223 -0.018 0.000 2.610 257 L HA 0.313 4.653 4.340 -0.000 0.000 0.232 257 L C 1.338 178.216 176.870 0.013 0.000 1.149 257 L CA 0.974 55.819 54.840 0.008 0.000 0.872 257 L CB -1.219 40.837 42.059 -0.006 0.000 0.992 257 L HN 0.629 nan 8.230 nan 0.000 0.447 258 N N -1.544 117.149 118.700 -0.011 0.000 2.251 258 N HA -0.014 4.726 4.740 -0.000 0.000 0.217 258 N C 1.495 177.002 175.510 -0.005 0.000 1.124 258 N CA -0.102 52.936 53.050 -0.019 0.000 0.843 258 N CB 0.327 38.781 38.487 -0.054 0.000 1.024 258 N HN 0.447 nan 8.380 nan 0.000 0.501 259 Q N -0.150 119.667 119.800 0.029 0.000 2.119 259 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 259 Q C -0.146 175.909 176.000 0.091 0.000 0.972 259 Q CA 1.013 56.843 55.803 0.045 0.000 0.847 259 Q CB -0.062 28.707 28.738 0.051 0.000 0.903 259 Q HN 0.439 nan 8.270 nan 0.000 0.433 260 Y N 1.872 122.161 120.300 -0.017 0.000 2.373 260 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 260 Y C -2.602 173.294 175.900 -0.007 0.000 0.979 260 Y CA -3.147 54.945 58.100 -0.013 0.000 1.080 260 Y CB 1.722 40.177 38.460 -0.010 0.000 1.190 260 Y HN -0.047 nan 8.280 nan 0.000 0.446 261 P HA -0.132 nan 4.420 nan 0.000 0.255 261 P C 0.230 177.479 177.300 -0.085 0.000 1.141 261 P CA 1.826 64.743 63.100 -0.306 0.000 0.767 261 P CB 0.072 31.505 31.700 -0.445 0.000 0.726 262 A N 2.891 125.704 122.820 -0.012 0.000 2.715 262 A HA -0.241 4.079 4.320 -0.000 0.000 0.301 262 A C 1.443 179.102 177.584 0.126 0.000 1.515 262 A CA 0.976 53.042 52.037 0.049 0.000 0.816 262 A CB -2.263 16.761 19.000 0.040 0.000 1.004 262 A HN 0.661 nan 8.150 nan 0.000 0.483 263 L N -1.116 120.209 121.223 0.171 0.000 2.081 263 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 263 L C 2.635 179.596 176.870 0.152 0.000 1.080 263 L CA 2.507 57.473 54.840 0.210 0.000 0.754 263 L CB -0.416 41.762 42.059 0.197 0.000 0.893 263 L HN 0.726 nan 8.230 nan 0.000 0.433 264 T N -0.162 114.463 114.554 0.117 0.000 2.607 264 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 264 T C 1.877 176.676 174.700 0.165 0.000 1.049 264 T CA 1.525 63.690 62.100 0.109 0.000 1.162 264 T CB -0.543 68.359 68.868 0.056 0.000 0.863 264 T HN 0.552 nan 8.240 nan 0.000 0.424 265 A N 1.651 124.564 122.820 0.156 0.000 1.978 265 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 265 A C 2.342 180.063 177.584 0.228 0.000 1.170 265 A CA 1.390 53.554 52.037 0.212 0.000 0.636 265 A CB -0.394 18.697 19.000 0.151 0.000 0.810 265 A HN 0.414 nan 8.150 nan 0.000 0.448 266 E N 0.044 120.351 120.200 0.179 0.000 2.028 266 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 266 E C 2.019 178.725 176.600 0.177 0.000 0.984 266 E CA 1.171 57.660 56.400 0.147 0.000 0.800 266 E CB -0.505 29.273 29.700 0.130 0.000 0.758 266 E HN 0.733 nan 8.360 nan 0.000 0.448 267 I N 1.050 121.753 120.570 0.222 0.000 2.264 267 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 267 I C 2.420 178.796 176.117 0.431 0.000 1.111 267 I CA 0.984 62.475 61.300 0.318 0.000 1.382 267 I CB -0.356 37.819 38.000 0.292 0.000 1.060 267 I HN -0.013 nan 8.210 nan 0.000 0.418 268 F N 2.136 122.203 119.950 0.195 0.000 2.095 268 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 268 F C 2.308 178.233 175.800 0.209 0.000 1.104 268 F CA 1.907 60.015 58.000 0.181 0.000 1.232 268 F CB -1.004 38.059 39.000 0.105 0.000 0.987 268 F HN 0.137 nan 8.300 nan 0.000 0.475 269 N N 0.439 119.094 118.700 -0.075 0.000 2.061 269 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 269 N C 1.832 177.329 175.510 -0.020 0.000 1.030 269 N CA 2.303 55.236 53.050 -0.195 0.000 0.856 269 N CB -0.100 38.344 38.487 -0.071 0.000 1.023 269 N HN 0.279 nan 8.380 nan 0.000 0.424 270 V N 0.177 120.152 119.914 0.102 0.000 2.261 270 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 270 V C 1.664 177.830 176.094 0.120 0.000 1.047 270 V CA 1.559 63.939 62.300 0.133 0.000 1.015 270 V CB -1.145 30.672 31.823 -0.010 0.000 0.642 270 V HN 0.308 nan 8.190 nan 0.000 0.446 271 Y N 0.732 121.138 120.300 0.177 0.000 2.616 271 Y HA 0.079 4.629 4.550 -0.000 0.000 0.296 271 Y C 1.773 177.858 175.900 0.308 0.000 1.154 271 Y CA 0.093 58.325 58.100 0.221 0.000 1.325 271 Y CB -0.399 38.194 38.460 0.221 0.000 1.007 271 Y HN 0.147 nan 8.280 nan 0.000 0.542 272 S N 0.122 116.005 115.700 0.306 0.000 2.584 272 S HA -0.029 4.441 4.470 -0.000 0.000 0.270 272 S C 0.894 175.793 174.600 0.497 0.000 1.346 272 S CA -0.617 57.738 58.200 0.258 0.000 1.018 272 S CB 0.471 63.585 63.200 -0.144 0.000 0.899 272 S HN 0.318 nan 8.310 nan 0.000 0.542 273 F N 2.153 122.307 119.950 0.341 0.000 2.053 273 F HA 0.035 4.562 4.527 -0.000 0.000 0.292 273 F C 1.887 177.847 175.800 0.267 0.000 1.125 273 F CA 1.661 59.850 58.000 0.315 0.000 1.193 273 F CB -0.185 38.943 39.000 0.213 0.000 0.996 273 F HN 0.735 nan 8.300 nan 0.000 0.470 274 R N -0.395 120.044 120.500 -0.103 0.000 1.478 274 R HA -0.289 4.051 4.340 -0.000 0.000 0.042 274 R C -0.794 175.138 176.300 -0.613 0.000 0.955 274 R CA 1.916 57.842 56.100 -0.290 0.000 1.937 274 R CB -2.180 27.904 30.300 -0.360 0.000 0.236 274 R HN 0.566 nan 8.270 nan 0.000 0.725 275 D N -1.645 118.181 120.400 -0.956 0.000 2.622 275 D HA 0.291 4.931 4.640 -0.000 0.000 0.255 275 D C 0.039 175.788 176.300 -0.917 0.000 1.246 275 D CA -0.497 52.916 54.000 -0.979 0.000 0.795 275 D CB 0.130 40.776 40.800 -0.256 0.000 1.369 275 D HN 0.292 nan 8.370 nan 0.000 0.425 276 H N -0.405 118.448 119.070 -0.363 0.000 2.394 276 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 276 H C 1.452 176.716 175.328 -0.107 0.000 1.113 276 H CA 2.652 58.669 56.048 -0.051 0.000 1.277 276 H CB -0.403 29.392 29.762 0.057 0.000 1.370 276 H HN 0.503 nan 8.280 nan 0.000 0.506 277 T N 0.491 115.026 114.554 -0.032 0.000 2.643 277 T HA -0.245 4.105 4.350 -0.000 0.000 0.264 277 T C 1.817 176.412 174.700 -0.176 0.000 1.045 277 T CA 1.300 63.325 62.100 -0.125 0.000 1.155 277 T CB -0.611 68.197 68.868 -0.101 0.000 0.863 277 T HN 0.601 nan 8.240 nan 0.000 0.420 278 W N 1.856 122.877 121.300 -0.465 0.000 2.332 278 W HA -0.276 4.384 4.660 -0.000 0.000 0.321 278 W C 2.324 178.622 176.519 -0.369 0.000 1.219 278 W CA 1.771 58.713 57.345 -0.673 0.000 1.277 278 W CB -0.773 28.038 29.460 -1.080 0.000 1.161 278 W HN 0.421 nan 8.180 nan 0.000 0.476 279 H N -0.232 118.449 119.070 -0.649 0.000 2.261 279 H HA -0.206 4.350 4.556 -0.000 0.000 0.290 279 H C 2.481 177.522 175.328 -0.480 0.000 1.081 279 H CA 3.594 59.313 56.048 -0.549 0.000 1.196 279 H CB -0.981 28.661 29.762 -0.200 0.000 1.350 279 H HN 0.158 nan 8.280 nan 0.000 0.498 280 G N 1.064 109.752 108.800 -0.186 0.000 2.503 280 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 280 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 280 G C 1.863 176.584 174.900 -0.297 0.000 1.131 280 G CA 0.966 45.954 45.100 -0.187 0.000 0.756 280 G HN 0.441 nan 8.290 nan 0.000 0.572 281 L N 0.025 121.029 121.223 -0.364 0.000 1.937 281 L HA -0.066 4.274 4.340 -0.000 0.000 0.213 281 L C 2.937 179.521 176.870 -0.476 0.000 1.077 281 L CA 1.922 56.565 54.840 -0.329 0.000 0.758 281 L CB -0.506 41.406 42.059 -0.246 0.000 0.888 281 L HN 0.229 nan 8.230 nan 0.000 0.433 282 R N -0.386 119.582 120.500 -0.887 0.000 2.165 282 R HA -0.233 4.107 4.340 -0.000 0.000 0.254 282 R C 1.880 177.844 176.300 -0.559 0.000 1.153 282 R CA 2.581 58.137 56.100 -0.907 0.000 0.971 282 R CB -0.878 28.554 30.300 -1.447 0.000 0.878 282 R HN 0.476 nan 8.270 nan 0.000 0.449 283 T N 0.807 115.033 114.554 -0.548 0.000 2.588 283 T HA -0.096 4.254 4.350 -0.000 0.000 0.261 283 T C 1.886 176.443 174.700 -0.239 0.000 1.069 283 T CA 1.931 63.802 62.100 -0.381 0.000 1.172 283 T CB -0.583 68.047 68.868 -0.396 0.000 0.863 283 T HN 0.501 nan 8.240 nan 0.000 0.408 284 A N 0.798 123.495 122.820 -0.206 0.000 2.032 284 A HA -0.099 4.221 4.320 -0.000 0.000 0.221 284 A C 2.262 179.787 177.584 -0.098 0.000 1.165 284 A CA 1.348 53.315 52.037 -0.117 0.000 0.645 284 A CB -0.946 18.002 19.000 -0.086 0.000 0.807 284 A HN 0.578 nan 8.150 nan 0.000 0.453 285 I N -1.358 119.128 120.570 -0.140 0.000 2.162 285 I HA -0.204 3.966 4.170 -0.000 0.000 0.238 285 I C 2.577 178.639 176.117 -0.091 0.000 1.076 285 I CA 1.272 62.510 61.300 -0.103 0.000 1.353 285 I CB -0.416 37.507 38.000 -0.129 0.000 1.063 285 I HN 0.237 nan 8.210 nan 0.000 0.408 286 R N 1.000 121.424 120.500 -0.128 0.000 2.249 286 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 286 R C 1.716 177.984 176.300 -0.053 0.000 1.121 286 R CA 0.826 56.870 56.100 -0.093 0.000 0.997 286 R CB -0.457 29.769 30.300 -0.124 0.000 0.867 286 R HN 0.384 nan 8.270 nan 0.000 0.465 287 N N 0.524 119.190 118.700 -0.056 0.000 2.519 287 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 287 N C 1.132 176.632 175.510 -0.016 0.000 1.062 287 N CA 0.944 53.976 53.050 -0.030 0.000 0.910 287 N CB 0.070 38.538 38.487 -0.032 0.000 0.958 287 N HN 0.047 nan 8.380 nan 0.000 0.445 288 R N -0.318 120.171 120.500 -0.019 0.000 2.280 288 R HA 0.129 4.469 4.340 -0.000 0.000 0.195 288 R C 0.777 177.073 176.300 -0.007 0.000 0.935 288 R CA 0.210 56.305 56.100 -0.010 0.000 1.033 288 R CB -0.224 30.071 30.300 -0.009 0.000 0.964 288 R HN 0.301 nan 8.270 nan 0.000 0.489 289 T N -3.857 110.691 114.554 -0.009 0.000 2.893 289 T HA 0.191 4.541 4.350 -0.000 0.000 0.279 289 T C 1.242 175.949 174.700 0.012 0.000 0.991 289 T CA -0.123 61.976 62.100 -0.002 0.000 0.950 289 T CB 1.449 70.312 68.868 -0.008 0.000 1.223 289 T HN 0.126 nan 8.240 nan 0.000 0.585 290 T N -1.147 113.419 114.554 0.020 0.000 3.129 290 T HA 0.259 4.609 4.350 -0.000 0.000 0.251 290 T C 0.666 175.399 174.700 0.054 0.000 1.117 290 T CA -0.386 61.735 62.100 0.034 0.000 1.034 290 T CB -0.224 68.663 68.868 0.033 0.000 0.968 290 T HN 0.309 nan 8.240 nan 0.000 0.526 291 L N 2.872 124.128 121.223 0.056 0.000 2.375 291 L HA 0.441 4.781 4.340 -0.000 0.000 0.271 291 L C -2.167 174.771 176.870 0.112 0.000 1.107 291 L CA -2.525 52.373 54.840 0.098 0.000 0.806 291 L CB 0.193 42.312 42.059 0.100 0.000 1.146 291 L HN 0.054 nan 8.230 nan 0.000 0.447 292 P HA 0.043 nan 4.420 nan 0.000 0.266 292 P C 0.293 177.724 177.300 0.218 0.000 1.215 292 P CA -0.255 62.949 63.100 0.174 0.000 0.763 292 P CB 0.249 32.048 31.700 0.165 0.000 0.806 293 N N 4.791 123.553 118.700 0.104 0.000 2.247 293 N HA -0.221 4.519 4.740 -0.000 0.000 0.189 293 N C 1.009 176.536 175.510 0.027 0.000 1.009 293 N CA 2.016 55.078 53.050 0.019 0.000 0.872 293 N CB -0.779 37.693 38.487 -0.025 0.000 0.980 293 N HN 0.591 nan 8.380 nan 0.000 0.436 294 M N -3.377 116.355 119.600 0.219 0.000 2.722 294 M HA 0.407 4.887 4.480 -0.000 0.000 0.451 294 M C -1.041 175.601 176.300 0.570 0.000 1.225 294 M CA -0.280 55.223 55.300 0.338 0.000 0.874 294 M CB 0.747 33.412 32.600 0.109 0.000 1.736 294 M HN -0.151 nan 8.290 nan 0.000 0.584 295 L N 2.372 123.826 121.223 0.384 0.000 2.476 295 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 295 L C -2.526 174.052 176.870 -0.488 0.000 0.965 295 L CA -1.683 53.139 54.840 -0.031 0.000 0.845 295 L CB 2.562 44.640 42.059 0.032 0.000 1.259 295 L HN -0.142 nan 8.230 nan 0.000 0.403 296 P HA -0.085 nan 4.420 nan 0.000 0.257 296 P C -2.274 174.823 177.300 -0.338 0.000 1.153 296 P CA -0.327 62.266 63.100 -0.845 0.000 0.762 296 P CB -0.286 31.137 31.700 -0.463 0.000 0.743 297 P HA 0.015 nan 4.420 nan 0.000 0.268 297 P C 0.589 177.844 177.300 -0.075 0.000 1.205 297 P CA 0.071 63.151 63.100 -0.034 0.000 0.771 297 P CB 0.677 32.421 31.700 0.073 0.000 0.858 298 I N 2.098 122.596 120.570 -0.121 0.000 2.179 298 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 298 I C 1.188 177.069 176.117 -0.394 0.000 1.088 298 I CA 1.502 62.611 61.300 -0.317 0.000 1.357 298 I CB -0.924 36.767 38.000 -0.514 0.000 1.051 298 I HN 0.189 nan 8.210 nan 0.000 0.409 299 F N 2.670 122.665 119.950 0.074 0.000 2.415 299 F HA 0.403 4.930 4.527 -0.000 0.000 0.348 299 F C -1.932 173.900 175.800 0.054 0.000 1.119 299 F CA -3.236 54.811 58.000 0.078 0.000 1.069 299 F CB -0.015 39.031 39.000 0.076 0.000 1.124 299 F HN -0.155 nan 8.300 nan 0.000 0.472 300 P HA 0.095 nan 4.420 nan 0.000 0.264 300 P C -2.522 174.856 177.300 0.130 0.000 1.193 300 P CA -0.786 62.392 63.100 0.130 0.000 0.763 300 P CB 0.196 31.949 31.700 0.089 0.000 0.810 301 P HA 0.033 nan 4.420 nan 0.000 0.273 301 P C 0.660 177.990 177.300 0.048 0.000 1.258 301 P CA 0.184 63.329 63.100 0.075 0.000 0.802 301 P CB 0.312 32.048 31.700 0.059 0.000 1.040 302 N N -1.411 117.305 118.700 0.025 0.000 1.997 302 N HA 0.016 4.756 4.740 -0.000 0.000 0.225 302 N C -1.246 174.242 175.510 -0.037 0.000 1.383 302 N CA -0.154 52.896 53.050 -0.001 0.000 0.770 302 N CB 0.242 38.743 38.487 0.023 0.000 1.178 302 N HN 0.387 nan 8.380 nan 0.000 0.515 303 D N 0.385 120.767 120.400 -0.029 0.000 2.350 303 D HA 0.223 4.863 4.640 -0.000 0.000 0.245 303 D C 0.847 177.114 176.300 -0.055 0.000 1.036 303 D CA -0.606 53.366 54.000 -0.047 0.000 0.848 303 D CB 3.005 43.789 40.800 -0.026 0.000 1.307 303 D HN -0.115 nan 8.370 nan 0.000 0.469 304 R N 1.624 122.081 120.500 -0.071 0.000 2.143 304 R HA -0.271 4.069 4.340 -0.000 0.000 0.239 304 R C 0.766 177.026 176.300 -0.066 0.000 1.126 304 R CA 2.655 58.709 56.100 -0.076 0.000 0.927 304 R CB -0.383 29.872 30.300 -0.075 0.000 0.860 304 R HN 0.487 nan 8.270 nan 0.000 0.433 305 D N -0.236 120.133 120.400 -0.051 0.000 2.154 305 D HA -0.202 4.438 4.640 -0.000 0.000 0.190 305 D C 2.030 178.308 176.300 -0.038 0.000 1.003 305 D CA 2.091 56.066 54.000 -0.041 0.000 0.849 305 D CB -0.330 40.453 40.800 -0.028 0.000 0.942 305 D HN 0.195 nan 8.370 nan 0.000 0.446 306 S N -0.271 115.412 115.700 -0.028 0.000 2.354 306 S HA -0.136 4.334 4.470 -0.000 0.000 0.219 306 S C 1.993 176.575 174.600 -0.031 0.000 1.035 306 S CA 0.745 58.936 58.200 -0.014 0.000 1.037 306 S CB -0.223 62.981 63.200 0.007 0.000 0.956 306 S HN 0.190 nan 8.310 nan 0.000 0.428 307 I N 1.760 122.299 120.570 -0.053 0.000 2.118 307 I HA -0.183 3.987 4.170 -0.000 0.000 0.241 307 I C 2.336 178.371 176.117 -0.136 0.000 1.070 307 I CA 1.272 62.513 61.300 -0.098 0.000 1.327 307 I CB -1.688 36.230 38.000 -0.137 0.000 1.034 307 I HN 0.284 nan 8.210 nan 0.000 0.405 308 L N 0.560 121.707 121.223 -0.127 0.000 1.963 308 L HA -0.325 4.015 4.340 -0.000 0.000 0.220 308 L C 2.706 179.522 176.870 -0.089 0.000 1.076 308 L CA 2.576 57.344 54.840 -0.121 0.000 0.772 308 L CB -0.660 41.344 42.059 -0.090 0.000 0.892 308 L HN 0.296 nan 8.230 nan 0.000 0.435 309 T N 0.483 115.000 114.554 -0.062 0.000 2.653 309 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 309 T C 1.863 176.539 174.700 -0.039 0.000 1.035 309 T CA 1.894 63.968 62.100 -0.044 0.000 1.154 309 T CB -0.444 68.403 68.868 -0.035 0.000 0.862 309 T HN 0.235 nan 8.240 nan 0.000 0.441 310 L N 0.117 121.316 121.223 -0.040 0.000 1.989 310 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 310 L C 2.569 179.426 176.870 -0.022 0.000 1.071 310 L CA 1.298 56.125 54.840 -0.022 0.000 0.749 310 L CB -0.623 41.435 42.059 -0.001 0.000 0.890 310 L HN 0.254 nan 8.230 nan 0.000 0.431 311 L N -1.100 120.084 121.223 -0.065 0.000 1.989 311 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 311 L C 2.555 179.407 176.870 -0.031 0.000 1.071 311 L CA 1.017 55.816 54.840 -0.068 0.000 0.749 311 L CB -0.547 41.422 42.059 -0.149 0.000 0.890 311 L HN 0.220 nan 8.230 nan 0.000 0.431 312 L N -0.605 120.596 121.223 -0.037 0.000 2.042 312 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 312 L C 2.369 179.246 176.870 0.012 0.000 1.076 312 L CA 1.680 56.507 54.840 -0.021 0.000 0.749 312 L CB -0.808 41.234 42.059 -0.028 0.000 0.893 312 L HN 0.187 nan 8.230 nan 0.000 0.432 313 L N -1.618 119.622 121.223 0.029 0.000 2.056 313 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 313 L C 2.709 179.659 176.870 0.134 0.000 1.078 313 L CA 1.421 56.322 54.840 0.102 0.000 0.749 313 L CB -0.277 41.821 42.059 0.064 0.000 0.901 313 L HN 0.356 nan 8.230 nan 0.000 0.433 314 S N -0.996 114.745 115.700 0.068 0.000 2.370 314 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 314 S C 1.869 176.469 174.600 0.001 0.000 1.033 314 S CA 2.186 60.412 58.200 0.043 0.000 1.011 314 S CB -0.193 63.030 63.200 0.038 0.000 0.852 314 S HN 0.500 nan 8.310 nan 0.000 0.457 315 T N 2.487 117.044 114.554 0.005 0.000 2.737 315 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 315 T C 1.703 176.393 174.700 -0.017 0.000 1.038 315 T CA 1.302 63.396 62.100 -0.011 0.000 1.144 315 T CB -0.577 68.286 68.868 -0.009 0.000 0.866 315 T HN 0.346 nan 8.240 nan 0.000 0.434 316 L N 1.454 122.685 121.223 0.012 0.000 2.187 316 L HA 0.037 4.377 4.340 -0.000 0.000 0.213 316 L C 2.439 179.342 176.870 0.055 0.000 1.100 316 L CA 1.461 56.326 54.840 0.042 0.000 0.765 316 L CB -0.886 41.226 42.059 0.089 0.000 0.904 316 L HN 0.226 nan 8.230 nan 0.000 0.437 317 A N -0.773 121.972 122.820 -0.125 0.000 1.855 317 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 317 A C 2.019 179.367 177.584 -0.393 0.000 1.191 317 A CA 1.742 53.367 52.037 -0.686 0.000 0.613 317 A CB -0.760 17.889 19.000 -0.586 0.000 0.829 317 A HN 0.521 nan 8.150 nan 0.000 0.442 318 D N -0.083 120.202 120.400 -0.193 0.000 2.123 318 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 318 D C 2.106 178.383 176.300 -0.038 0.000 0.992 318 D CA 1.550 55.483 54.000 -0.113 0.000 0.833 318 D CB -0.481 40.278 40.800 -0.069 0.000 0.954 318 D HN 0.206 nan 8.370 nan 0.000 0.455 319 V N 0.952 120.874 119.914 0.013 0.000 2.287 319 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 319 V C 2.270 178.472 176.094 0.179 0.000 1.053 319 V CA 1.547 63.891 62.300 0.074 0.000 1.027 319 V CB -0.707 31.146 31.823 0.050 0.000 0.646 319 V HN 0.173 nan 8.190 nan 0.000 0.447 320 Y N 1.702 122.094 120.300 0.154 0.000 2.114 320 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 320 Y C 2.638 178.456 175.900 -0.136 0.000 1.165 320 Y CA 2.358 60.480 58.100 0.037 0.000 1.148 320 Y CB -0.804 37.555 38.460 -0.170 0.000 0.972 320 Y HN 0.323 nan 8.280 nan 0.000 0.504 321 T N 0.320 114.921 114.554 0.078 0.000 2.622 321 T HA -0.249 4.101 4.350 -0.000 0.000 0.266 321 T C 2.074 176.736 174.700 -0.063 0.000 1.047 321 T CA 2.671 64.771 62.100 0.000 0.000 1.159 321 T CB -1.275 67.555 68.868 -0.063 0.000 0.863 321 T HN 0.413 nan 8.240 nan 0.000 0.422 322 V N 0.509 120.392 119.914 -0.052 0.000 2.407 322 V HA -0.017 4.103 4.120 -0.000 0.000 0.248 322 V C 2.312 178.360 176.094 -0.078 0.000 1.055 322 V CA 1.458 63.725 62.300 -0.055 0.000 1.049 322 V CB -1.167 30.634 31.823 -0.037 0.000 0.662 322 V HN 0.440 nan 8.190 nan 0.000 0.455 323 L N -0.458 120.708 121.223 -0.095 0.000 2.240 323 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 323 L C 1.464 178.206 176.870 -0.212 0.000 1.106 323 L CA 0.622 55.389 54.840 -0.122 0.000 0.793 323 L CB -0.381 41.644 42.059 -0.056 0.000 0.927 323 L HN 0.382 nan 8.230 nan 0.000 0.446 324 R N -1.729 118.579 120.500 -0.320 0.000 3.525 324 R HA -0.128 4.212 4.340 -0.000 0.000 0.276 324 R C -2.218 173.847 176.300 -0.392 0.000 1.116 324 R CA 0.137 56.026 56.100 -0.352 0.000 0.745 324 R CB -2.527 27.667 30.300 -0.177 0.000 1.185 324 R HN 0.339 nan 8.270 nan 0.000 0.454 325 P HA 0.081 nan 4.420 nan 0.000 0.266 325 P C -0.412 176.808 177.300 -0.133 0.000 1.195 325 P CA 0.548 63.434 63.100 -0.358 0.000 0.768 325 P CB 0.676 32.056 31.700 -0.534 0.000 0.838 326 E N 2.237 122.489 120.200 0.086 0.000 2.244 326 E HA 0.507 4.857 4.350 -0.000 0.000 0.260 326 E C -0.774 176.034 176.600 0.346 0.000 0.884 326 E CA -0.442 56.037 56.400 0.132 0.000 0.777 326 E CB 1.018 30.739 29.700 0.034 0.000 1.197 326 E HN 0.421 nan 8.360 nan 0.000 0.416 327 F N 0.257 120.233 119.950 0.044 0.000 2.773 327 F HA 0.779 5.306 4.527 -0.000 0.000 0.314 327 F C -1.060 174.785 175.800 0.075 0.000 1.160 327 F CA -1.530 56.531 58.000 0.100 0.000 0.920 327 F CB 0.334 39.475 39.000 0.235 0.000 1.323 327 F HN 0.340 nan 8.300 nan 0.000 0.457 328 A N 1.657 124.549 122.820 0.121 0.000 2.287 328 A HA 0.803 5.123 4.320 -0.000 0.000 0.273 328 A C -0.762 176.778 177.584 -0.074 0.000 1.091 328 A CA -0.540 51.489 52.037 -0.013 0.000 0.817 328 A CB 0.798 19.826 19.000 0.046 0.000 1.069 328 A HN 0.914 nan 8.150 nan 0.000 0.492 329 M N 1.273 120.803 119.600 -0.117 0.000 2.284 329 M HA 0.238 4.718 4.480 -0.000 0.000 0.281 329 M C -1.303 174.959 176.300 -0.065 0.000 1.083 329 M CA -0.519 54.696 55.300 -0.142 0.000 0.965 329 M CB 1.514 34.028 32.600 -0.143 0.000 1.717 329 M HN 0.869 nan 8.290 nan 0.000 0.479 330 H N 2.407 121.489 119.070 0.019 0.000 3.192 330 H HA 0.081 4.637 4.556 -0.000 0.000 0.295 330 H C 1.227 176.555 175.328 -0.000 0.000 0.943 330 H CA 1.913 57.968 56.048 0.011 0.000 1.416 330 H CB -0.047 29.724 29.762 0.015 0.000 1.434 330 H HN 0.991 nan 8.280 nan 0.000 0.565 331 G N 2.505 111.381 108.800 0.126 0.000 2.136 331 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 331 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 331 G C -0.130 174.791 174.900 0.034 0.000 0.989 331 G CA 0.224 45.361 45.100 0.061 0.000 0.682 331 G HN 0.580 nan 8.290 nan 0.000 0.522 332 V N 0.928 120.855 119.914 0.022 0.000 2.409 332 V HA 0.507 4.627 4.120 -0.000 0.000 0.291 332 V C -0.032 176.043 176.094 -0.031 0.000 1.020 332 V CA -1.013 61.286 62.300 -0.002 0.000 0.848 332 V CB 1.854 33.667 31.823 -0.017 0.000 0.990 332 V HN 0.307 nan 8.190 nan 0.000 0.430 333 N N 5.392 124.051 118.700 -0.069 0.000 2.626 333 N HA 0.459 5.199 4.740 -0.000 0.000 0.242 333 N C -2.710 172.658 175.510 -0.236 0.000 1.005 333 N CA -0.942 52.043 53.050 -0.108 0.000 0.905 333 N CB 2.421 40.855 38.487 -0.089 0.000 1.128 333 N HN 0.462 nan 8.380 nan 0.000 0.512 334 P HA 0.378 nan 4.420 nan 0.000 0.284 334 P C -0.576 176.644 177.300 -0.133 0.000 1.258 334 P CA -0.498 62.476 63.100 -0.210 0.000 0.824 334 P CB 0.983 32.668 31.700 -0.024 0.000 1.038 335 M N 0.392 119.948 119.600 -0.073 0.000 2.464 335 M HA 0.588 5.068 4.480 -0.000 0.000 0.308 335 M C -2.152 174.192 176.300 0.073 0.000 1.127 335 M CA -1.790 53.512 55.300 0.003 0.000 0.913 335 M CB 1.950 34.553 32.600 0.005 0.000 1.689 335 M HN -0.026 nan 8.290 nan 0.000 0.445 336 P HA 0.121 nan 4.420 nan 0.000 0.218 336 P C 0.730 178.066 177.300 0.059 0.000 1.152 336 P CA 0.681 63.811 63.100 0.050 0.000 0.826 336 P CB -0.163 31.555 31.700 0.030 0.000 0.790 337 G N 1.919 110.754 108.800 0.058 0.000 2.241 337 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.235 337 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.235 337 G C -1.356 173.586 174.900 0.069 0.000 1.127 337 G CA -0.469 44.665 45.100 0.058 0.000 0.867 337 G HN 0.151 nan 8.290 nan 0.000 0.473 338 P HA -0.140 nan 4.420 nan 0.000 0.220 338 P C 0.420 177.763 177.300 0.072 0.000 1.149 338 P CA 0.890 64.022 63.100 0.054 0.000 0.829 338 P CB -0.104 31.621 31.700 0.042 0.000 0.772 339 L N -2.066 119.211 121.223 0.090 0.000 0.716 339 L HA -0.111 4.229 4.340 -0.000 0.000 0.364 339 L C 0.349 177.273 176.870 0.089 0.000 1.004 339 L CA 0.663 55.573 54.840 0.116 0.000 1.221 339 L CB -2.389 39.764 42.059 0.157 0.000 0.360 339 L HN 0.160 nan 8.230 nan 0.000 0.217 340 T N -0.782 113.816 114.554 0.073 0.000 2.924 340 T HA 0.859 5.209 4.350 -0.000 0.000 0.291 340 T C 1.161 175.879 174.700 0.029 0.000 1.045 340 T CA -0.170 61.958 62.100 0.047 0.000 1.015 340 T CB 1.975 70.862 68.868 0.031 0.000 1.103 340 T HN 1.141 nan 8.240 nan 0.000 0.496 341 A N 1.145 123.979 122.820 0.023 0.000 1.948 341 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 341 A C 2.544 180.111 177.584 -0.030 0.000 1.177 341 A CA 2.256 54.297 52.037 0.006 0.000 0.636 341 A CB -1.543 17.463 19.000 0.011 0.000 0.815 341 A HN 1.326 nan 8.150 nan 0.000 0.449 342 A N 0.132 122.940 122.820 -0.020 0.000 1.858 342 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 342 A C 2.099 179.649 177.584 -0.056 0.000 1.190 342 A CA 1.611 53.630 52.037 -0.030 0.000 0.617 342 A CB -0.677 18.317 19.000 -0.011 0.000 0.827 342 A HN 0.528 nan 8.150 nan 0.000 0.443 343 I N -0.174 120.367 120.570 -0.048 0.000 2.361 343 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 343 I C 2.891 178.847 176.117 -0.268 0.000 1.133 343 I CA 0.958 62.217 61.300 -0.067 0.000 1.413 343 I CB -0.390 37.627 38.000 0.028 0.000 1.073 343 I HN 0.368 nan 8.210 nan 0.000 0.424 344 A N 1.083 123.696 122.820 -0.344 0.000 1.873 344 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 344 A C 2.369 179.735 177.584 -0.363 0.000 1.186 344 A CA 1.852 53.477 52.037 -0.687 0.000 0.616 344 A CB -0.552 18.265 19.000 -0.305 0.000 0.823 344 A HN 0.302 nan 8.150 nan 0.000 0.442 345 R N 0.260 120.665 120.500 -0.159 0.000 2.094 345 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 345 R C 2.142 178.428 176.300 -0.023 0.000 1.137 345 R CA 2.213 58.275 56.100 -0.065 0.000 0.943 345 R CB -0.884 29.379 30.300 -0.061 0.000 0.850 345 R HN 0.396 nan 8.270 nan 0.000 0.433 346 A N 0.092 122.865 122.820 -0.079 0.000 2.032 346 A HA -0.110 4.210 4.320 -0.000 0.000 0.221 346 A C 2.346 179.880 177.584 -0.083 0.000 1.165 346 A CA 1.865 53.868 52.037 -0.057 0.000 0.645 346 A CB -1.000 17.971 19.000 -0.048 0.000 0.807 346 A HN 0.565 nan 8.150 nan 0.000 0.453 347 A N -1.533 121.143 122.820 -0.239 0.000 2.015 347 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 347 A C 0.850 178.250 177.584 -0.307 0.000 1.163 347 A CA 0.539 52.335 52.037 -0.402 0.000 0.646 347 A CB -0.549 17.846 19.000 -1.008 0.000 0.806 347 A HN 0.501 nan 8.150 nan 0.000 0.448 348 Y N 0.888 121.108 120.300 -0.134 0.000 2.570 348 Y HA 0.367 4.917 4.550 -0.000 0.000 0.336 348 Y C 0.809 176.734 175.900 0.043 0.000 1.284 348 Y CA -0.136 57.992 58.100 0.046 0.000 1.761 348 Y CB -1.160 37.330 38.460 0.050 0.000 1.724 348 Y HN 0.085 nan 8.280 nan 0.000 0.455 349 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 62.352 62.300 0.086 0.000 1.235 349 V CB 0.000 31.877 31.823 0.089 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556