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 2fty_1_C DATA FIRST_RESID 2 DATA SEQUENCE PIYDLIIKNG IICTASDIYA AEIAVNNGKV QLIAASIDPS LGSEVIDAEG DATA SEQUENCE AFITPGGIDA HVHVDEPLKL LGDVVDTMEH ATRSAVAGGT TTVVAFSTQD DATA SEQUENCE VSKKGPSALA ESVKLDVDEY SEQTLYCDYG LHLILFQIEK PSVEARELLD DATA SEQUENCE VQLQAAYNDY GVSSVXMFMT YPGLQISDYD IMSAMYATRK NGFTTMLHAE DATA SEQUENCE NGDMVKWMIE ALEEQGLTDA YYHGVSRPSI VEGEATNRAI TLATTMDTPI DATA SEQUENCE LFVHVSSPQA AEVIKQAQTK GLKVYAETCP QYALLSDAIT RCXXXXXXXX DATA SEQUENCE XGVGIDLSSI SESPFTNPDD RFIGSKYICS PPIRPEGTQK SIWKGMNNGT DATA SEQUENCE FTIVGSDHCS YNYYEKTSTA SKHRAFDPEN NKNGEFRYIP NGLPGVCTRM DATA SEQUENCE PLLYDYGYLR GNLTSMMKLV EIQCTNPAKV YGMYPQKGSI LPGVSDADLV DATA SEQUENCE IWYPDDSKKE YNSKPKLITN KLMEHNCDYT PFEGIEIKNW PRYTIVKGKI DATA SEQUENCE VYKEGEILKE NADGKYLKRG KSFMCTPKNE WVTEWRPKYE 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.248 177.300 -0.087 0.000 1.155 2 P CA 0.000 63.077 63.100 -0.038 0.000 0.800 2 P CB 0.000 31.699 31.700 -0.001 0.000 0.726 3 I N -3.570 116.893 120.570 -0.177 0.000 3.854 3 I HA 0.294 4.463 4.170 -0.000 0.000 0.312 3 I C -0.279 175.573 176.117 -0.442 0.000 1.273 3 I CA -0.073 61.019 61.300 -0.347 0.000 1.298 3 I CB -0.023 37.673 38.000 -0.506 0.000 1.071 3 I HN 0.136 nan 8.210 nan 0.000 0.428 4 Y N 1.698 121.992 120.300 -0.010 0.000 2.429 4 Y HA 0.370 4.920 4.550 -0.000 0.000 0.342 4 Y C 0.692 176.584 175.900 -0.013 0.000 1.004 4 Y CA -1.027 57.065 58.100 -0.012 0.000 1.075 4 Y CB 1.266 39.717 38.460 -0.015 0.000 1.214 4 Y HN -0.137 nan 8.280 nan 0.000 0.455 5 D N 1.251 121.742 120.400 0.151 0.000 2.144 5 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 5 D C -0.242 176.095 176.300 0.062 0.000 0.978 5 D CA 1.516 55.562 54.000 0.077 0.000 0.833 5 D CB 0.368 41.200 40.800 0.053 0.000 0.961 5 D HN 0.232 nan 8.370 nan 0.000 0.470 6 L N 0.072 121.332 121.223 0.062 0.000 2.493 6 L HA 0.426 4.766 4.340 -0.000 0.000 0.265 6 L C -1.758 175.089 176.870 -0.039 0.000 0.954 6 L CA -0.501 54.339 54.840 0.001 0.000 0.844 6 L CB 2.202 44.247 42.059 -0.023 0.000 1.302 6 L HN -0.224 nan 8.230 nan 0.000 0.405 7 I N 5.895 126.429 120.570 -0.059 0.000 2.436 7 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 7 I C -0.744 175.305 176.117 -0.113 0.000 1.010 7 I CA -0.487 60.755 61.300 -0.097 0.000 1.098 7 I CB 1.891 39.855 38.000 -0.059 0.000 1.266 7 I HN 0.491 nan 8.210 nan 0.000 0.434 8 I N 6.720 127.212 120.570 -0.130 0.000 2.328 8 I HA 0.363 4.533 4.170 -0.000 0.000 0.287 8 I C -0.136 175.915 176.117 -0.110 0.000 1.012 8 I CA -0.587 60.630 61.300 -0.139 0.000 1.195 8 I CB 0.791 38.703 38.000 -0.147 0.000 1.350 8 I HN 0.464 nan 8.210 nan 0.000 0.464 9 K N 4.749 125.092 120.400 -0.096 0.000 2.185 9 K HA 0.443 4.763 4.320 -0.000 0.000 0.240 9 K C 0.256 176.822 176.600 -0.057 0.000 0.983 9 K CA -0.851 55.396 56.287 -0.067 0.000 0.873 9 K CB 0.897 33.368 32.500 -0.049 0.000 1.118 9 K HN 0.505 nan 8.250 nan 0.000 0.441 10 N N -0.598 118.077 118.700 -0.040 0.000 2.708 10 N HA -0.161 4.579 4.740 -0.000 0.000 0.251 10 N C -0.233 175.258 175.510 -0.031 0.000 1.123 10 N CA 1.253 54.286 53.050 -0.027 0.000 0.739 10 N CB -1.341 37.137 38.487 -0.014 0.000 1.113 10 N HN 0.846 nan 8.380 nan 0.000 0.561 11 G N -0.426 108.348 108.800 -0.044 0.000 2.597 11 G HA2 0.774 4.734 3.960 -0.000 0.000 0.317 11 G HA3 0.774 4.734 3.960 -0.000 0.000 0.317 11 G C -0.228 174.650 174.900 -0.036 0.000 1.230 11 G CA -0.726 44.353 45.100 -0.035 0.000 0.996 11 G HN 0.156 nan 8.290 nan 0.000 0.490 12 I N 0.880 121.459 120.570 0.014 0.000 2.382 12 I HA 0.274 4.444 4.170 -0.000 0.000 0.285 12 I C -0.188 175.970 176.117 0.068 0.000 1.007 12 I CA -0.429 60.901 61.300 0.050 0.000 1.142 12 I CB 1.718 39.809 38.000 0.150 0.000 1.289 12 I HN 0.183 nan 8.210 nan 0.000 0.453 13 I N 5.555 126.021 120.570 -0.174 0.000 2.471 13 I HA 0.130 4.300 4.170 -0.000 0.000 0.286 13 I C -0.325 175.721 176.117 -0.119 0.000 1.079 13 I CA -0.015 61.153 61.300 -0.219 0.000 1.398 13 I CB 0.388 38.065 38.000 -0.539 0.000 1.403 13 I HN 0.555 nan 8.210 nan 0.000 0.530 14 C N 4.615 123.879 119.300 -0.060 0.000 2.345 14 C HA 0.668 5.128 4.460 -0.000 0.000 0.323 14 C C 0.759 175.725 174.990 -0.040 0.000 1.276 14 C CA -0.546 58.410 59.018 -0.103 0.000 1.543 14 C CB 0.830 28.383 27.740 -0.312 0.000 2.211 14 C HN 0.864 nan 8.230 nan 0.000 0.493 15 T N -0.592 113.963 114.554 0.001 0.000 2.804 15 T HA 0.663 5.013 4.350 -0.000 0.000 0.272 15 T C 0.992 175.686 174.700 -0.010 0.000 0.986 15 T CA 0.122 62.237 62.100 0.025 0.000 0.999 15 T CB 1.255 70.172 68.868 0.082 0.000 1.307 15 T HN 0.716 nan 8.240 nan 0.000 0.586 16 A N 0.180 123.003 122.820 0.005 0.000 2.172 16 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 16 A C 2.062 179.637 177.584 -0.014 0.000 1.154 16 A CA 1.527 53.557 52.037 -0.011 0.000 0.701 16 A CB -0.981 18.016 19.000 -0.005 0.000 0.789 16 A HN 1.278 nan 8.150 nan 0.000 0.465 17 S N -2.458 113.241 115.700 -0.001 0.000 2.744 17 S HA 0.229 4.699 4.470 -0.000 0.000 0.265 17 S C -0.400 174.200 174.600 0.001 0.000 1.065 17 S CA -0.354 57.843 58.200 -0.005 0.000 1.191 17 S CB 0.406 63.604 63.200 -0.004 0.000 1.150 17 S HN 0.299 nan 8.310 nan 0.000 0.646 18 D N 0.906 121.323 120.400 0.028 0.000 2.732 18 D HA 0.524 5.164 4.640 -0.000 0.000 0.229 18 D C -1.323 175.052 176.300 0.126 0.000 1.152 18 D CA -0.327 53.715 54.000 0.071 0.000 0.854 18 D CB 2.283 43.130 40.800 0.077 0.000 1.590 18 D HN 0.209 nan 8.370 nan 0.000 0.468 19 I N 2.195 122.857 120.570 0.153 0.000 2.478 19 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 19 I C -1.220 175.084 176.117 0.311 0.000 1.042 19 I CA -0.805 60.589 61.300 0.158 0.000 1.067 19 I CB 1.408 39.430 38.000 0.037 0.000 1.233 19 I HN 0.368 nan 8.210 nan 0.000 0.431 20 Y N 4.172 124.502 120.300 0.051 0.000 2.604 20 Y HA 0.776 5.326 4.550 -0.000 0.000 0.331 20 Y C -1.054 174.884 175.900 0.062 0.000 1.158 20 Y CA -1.438 56.693 58.100 0.052 0.000 1.056 20 Y CB 1.037 39.514 38.460 0.028 0.000 1.330 20 Y HN 0.512 nan 8.280 nan 0.000 0.457 21 A N 2.199 125.065 122.820 0.077 0.000 2.347 21 A HA 0.838 5.158 4.320 -0.000 0.000 0.287 21 A C -0.136 177.431 177.584 -0.027 0.000 1.199 21 A CA 0.516 52.544 52.037 -0.015 0.000 0.851 21 A CB -0.620 18.401 19.000 0.035 0.000 1.118 21 A HN 1.764 nan 8.150 nan 0.000 0.525 22 A N 2.912 125.642 122.820 -0.150 0.000 2.564 22 A HA 0.732 5.052 4.320 -0.000 0.000 0.291 22 A C -0.892 176.626 177.584 -0.111 0.000 1.102 22 A CA -0.765 51.219 52.037 -0.089 0.000 0.660 22 A CB 0.866 19.837 19.000 -0.049 0.000 1.283 22 A HN 0.724 nan 8.150 nan 0.000 0.430 23 E N -0.161 119.996 120.200 -0.071 0.000 2.235 23 E HA 0.686 5.036 4.350 -0.000 0.000 0.265 23 E C -1.294 175.246 176.600 -0.101 0.000 0.940 23 E CA -0.616 55.733 56.400 -0.085 0.000 0.819 23 E CB 2.265 31.924 29.700 -0.068 0.000 1.206 23 E HN 0.487 nan 8.360 nan 0.000 0.409 24 I N 1.038 121.534 120.570 -0.124 0.000 2.498 24 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 24 I C -0.558 175.432 176.117 -0.212 0.000 1.032 24 I CA -0.834 60.379 61.300 -0.145 0.000 1.073 24 I CB 1.970 39.900 38.000 -0.116 0.000 1.251 24 I HN 0.473 nan 8.210 nan 0.000 0.426 25 A N 6.133 128.758 122.820 -0.324 0.000 2.305 25 A HA 0.831 5.151 4.320 -0.000 0.000 0.322 25 A C -0.671 176.722 177.584 -0.319 0.000 1.187 25 A CA -0.493 51.224 52.037 -0.533 0.000 0.825 25 A CB 1.135 19.318 19.000 -1.362 0.000 1.164 25 A HN 0.462 nan 8.150 nan 0.000 0.498 26 V N 3.231 123.046 119.914 -0.166 0.000 2.604 26 V HA 0.569 4.689 4.120 -0.000 0.000 0.305 26 V C -0.111 176.037 176.094 0.090 0.000 1.043 26 V CA -0.705 61.576 62.300 -0.030 0.000 0.888 26 V CB 1.809 33.614 31.823 -0.030 0.000 0.995 26 V HN 1.001 nan 8.190 nan 0.000 0.429 27 N N 3.048 121.810 118.700 0.104 0.000 2.446 27 N HA 0.230 4.970 4.740 -0.000 0.000 0.272 27 N C -0.658 174.887 175.510 0.059 0.000 1.127 27 N CA -0.517 52.603 53.050 0.116 0.000 0.896 27 N CB 1.604 40.209 38.487 0.195 0.000 1.658 27 N HN 0.736 nan 8.380 nan 0.000 0.483 28 N N 1.581 120.303 118.700 0.037 0.000 2.735 28 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 28 N C 0.705 176.221 175.510 0.011 0.000 1.083 28 N CA 1.580 54.641 53.050 0.018 0.000 0.703 28 N CB -1.360 37.136 38.487 0.014 0.000 1.005 28 N HN 1.027 nan 8.380 nan 0.000 0.550 29 G N -1.346 107.461 108.800 0.012 0.000 2.179 29 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 29 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 29 G C 0.007 174.906 174.900 -0.002 0.000 0.977 29 G CA 1.025 46.127 45.100 0.003 0.000 0.641 29 G HN 0.544 nan 8.290 nan 0.000 0.533 30 K N -0.478 119.924 120.400 0.003 0.000 2.435 30 K HA 0.599 4.919 4.320 -0.000 0.000 0.251 30 K C 0.156 176.755 176.600 -0.003 0.000 0.954 30 K CA -1.005 55.280 56.287 -0.004 0.000 0.820 30 K CB 2.863 35.361 32.500 -0.004 0.000 1.292 30 K HN 0.036 nan 8.250 nan 0.000 0.436 31 V N 3.378 123.282 119.914 -0.016 0.000 2.540 31 V HA -0.052 4.068 4.120 -0.000 0.000 0.297 31 V C 0.690 176.775 176.094 -0.015 0.000 1.024 31 V CA 0.478 62.762 62.300 -0.027 0.000 1.105 31 V CB 0.918 32.724 31.823 -0.028 0.000 0.938 31 V HN 0.742 nan 8.190 nan 0.000 0.482 32 Q N 3.002 122.787 119.800 -0.025 0.000 2.353 32 Q HA 0.413 4.753 4.340 -0.000 0.000 0.240 32 Q C -0.252 175.745 176.000 -0.005 0.000 0.868 32 Q CA 0.168 55.984 55.803 0.022 0.000 0.944 32 Q CB 1.171 29.996 28.738 0.145 0.000 1.104 32 Q HN 0.638 nan 8.270 nan 0.000 0.531 33 L N 0.152 121.326 121.223 -0.082 0.000 2.611 33 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 33 L C -1.856 174.961 176.870 -0.087 0.000 0.924 33 L CA -0.270 54.519 54.840 -0.085 0.000 0.901 33 L CB 1.849 43.810 42.059 -0.162 0.000 1.369 33 L HN -0.073 nan 8.230 nan 0.000 0.415 34 I N 4.261 124.814 120.570 -0.028 0.000 2.406 34 I HA 0.892 5.062 4.170 -0.000 0.000 0.290 34 I C -0.163 175.965 176.117 0.019 0.000 0.999 34 I CA -0.243 61.056 61.300 -0.002 0.000 1.124 34 I CB 1.810 39.848 38.000 0.063 0.000 1.289 34 I HN 0.778 nan 8.210 nan 0.000 0.441 35 A N 3.893 126.718 122.820 0.007 0.000 2.593 35 A HA 0.823 5.143 4.320 -0.000 0.000 0.290 35 A C 0.500 178.101 177.584 0.029 0.000 1.126 35 A CA -0.023 52.029 52.037 0.024 0.000 0.695 35 A CB 1.110 20.114 19.000 0.007 0.000 1.290 35 A HN 0.758 nan 8.150 nan 0.000 0.414 36 A N 0.054 122.897 122.820 0.039 0.000 1.940 36 A HA 0.329 4.649 4.320 -0.000 0.000 0.219 36 A C 1.246 178.839 177.584 0.015 0.000 1.176 36 A CA 2.293 54.353 52.037 0.038 0.000 0.631 36 A CB -0.421 18.602 19.000 0.038 0.000 0.814 36 A HN 2.273 nan 8.150 nan 0.000 0.446 37 S N -1.604 114.101 115.700 0.008 0.000 2.543 37 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 37 S C -1.273 173.326 174.600 -0.002 0.000 1.148 37 S CA -0.738 57.462 58.200 0.000 0.000 0.914 37 S CB 0.797 64.002 63.200 0.007 0.000 1.096 37 S HN 0.299 nan 8.310 nan 0.000 0.471 38 I N 2.951 123.514 120.570 -0.012 0.000 2.436 38 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 38 I C -0.555 175.569 176.117 0.013 0.000 1.010 38 I CA -0.801 60.497 61.300 -0.004 0.000 1.098 38 I CB 1.826 39.796 38.000 -0.051 0.000 1.266 38 I HN 0.647 nan 8.210 nan 0.000 0.434 39 D N 9.335 129.756 120.400 0.035 0.000 2.479 39 D HA -0.004 4.636 4.640 -0.000 0.000 0.257 39 D C -1.269 175.056 176.300 0.042 0.000 1.230 39 D CA -1.461 52.561 54.000 0.037 0.000 0.912 39 D CB 1.095 41.921 40.800 0.044 0.000 1.130 39 D HN 0.283 nan 8.370 nan 0.000 0.515 40 P HA -0.151 nan 4.420 nan 0.000 0.225 40 P C 1.043 178.362 177.300 0.032 0.000 1.148 40 P CA 0.723 63.837 63.100 0.023 0.000 0.779 40 P CB 0.029 31.735 31.700 0.010 0.000 0.780 41 S N -0.736 114.983 115.700 0.032 0.000 2.515 41 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 41 S C 1.832 176.455 174.600 0.038 0.000 0.987 41 S CA 0.377 58.594 58.200 0.028 0.000 0.936 41 S CB -1.321 61.891 63.200 0.019 0.000 0.766 41 S HN 0.126 nan 8.310 nan 0.000 0.528 42 L N 0.993 122.256 121.223 0.068 0.000 2.554 42 L HA 0.309 4.649 4.340 -0.000 0.000 0.226 42 L C 1.261 178.217 176.870 0.143 0.000 1.137 42 L CA 0.118 55.016 54.840 0.096 0.000 0.863 42 L CB -0.404 41.760 42.059 0.174 0.000 0.985 42 L HN 0.469 nan 8.230 nan 0.000 0.451 43 G N -1.896 106.977 108.800 0.122 0.000 2.448 43 G HA2 0.353 4.312 3.960 -0.000 0.000 0.324 43 G HA3 0.353 4.312 3.960 -0.000 0.000 0.324 43 G C 0.313 175.249 174.900 0.060 0.000 1.203 43 G CA -0.276 44.897 45.100 0.122 0.000 0.954 43 G HN -0.127 nan 8.290 nan 0.000 0.480 44 S N 0.047 115.778 115.700 0.052 0.000 2.387 44 S HA 0.051 4.521 4.470 -0.000 0.000 0.226 44 S C 0.737 175.350 174.600 0.023 0.000 1.026 44 S CA 0.924 59.142 58.200 0.030 0.000 0.972 44 S CB 0.025 63.241 63.200 0.026 0.000 0.814 44 S HN 0.640 nan 8.310 nan 0.000 0.477 45 E N 0.322 120.534 120.200 0.020 0.000 2.272 45 E HA 0.499 4.849 4.350 -0.000 0.000 0.269 45 E C -1.699 174.893 176.600 -0.014 0.000 0.877 45 E CA -0.403 56.000 56.400 0.005 0.000 0.755 45 E CB 2.506 32.209 29.700 0.005 0.000 1.192 45 E HN -0.094 nan 8.360 nan 0.000 0.422 46 V N 4.556 124.456 119.914 -0.024 0.000 2.448 46 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 46 V C -0.249 175.796 176.094 -0.082 0.000 1.025 46 V CA -0.609 61.663 62.300 -0.046 0.000 0.859 46 V CB 1.334 33.142 31.823 -0.024 0.000 0.988 46 V HN 0.591 nan 8.190 nan 0.000 0.431 47 I N 3.627 124.108 120.570 -0.148 0.000 2.339 47 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 47 I C -0.413 175.602 176.117 -0.169 0.000 0.994 47 I CA -0.353 60.801 61.300 -0.243 0.000 1.191 47 I CB 1.636 39.345 38.000 -0.485 0.000 1.343 47 I HN 0.542 nan 8.210 nan 0.000 0.458 48 D N 5.571 125.907 120.400 -0.106 0.000 2.380 48 D HA 0.319 4.959 4.640 -0.000 0.000 0.230 48 D C 0.711 176.982 176.300 -0.049 0.000 1.154 48 D CA -0.229 53.740 54.000 -0.052 0.000 0.859 48 D CB 1.775 42.575 40.800 0.000 0.000 1.045 48 D HN 0.629 nan 8.370 nan 0.000 0.495 49 A N 3.802 126.583 122.820 -0.064 0.000 2.167 49 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 49 A C 0.848 178.430 177.584 -0.003 0.000 1.151 49 A CA 0.387 52.394 52.037 -0.051 0.000 0.735 49 A CB -0.471 18.494 19.000 -0.059 0.000 0.802 49 A HN 0.787 nan 8.150 nan 0.000 0.467 50 E N -2.676 117.535 120.200 0.017 0.000 2.476 50 E HA -0.236 4.114 4.350 -0.000 0.000 0.251 50 E C 0.810 177.427 176.600 0.029 0.000 1.130 50 E CA 0.471 56.901 56.400 0.050 0.000 0.736 50 E CB -2.042 27.731 29.700 0.122 0.000 1.298 50 E HN 1.497 nan 8.360 nan 0.000 0.400 51 G N -1.774 107.023 108.800 -0.006 0.000 2.179 51 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 51 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 51 G C 0.378 175.218 174.900 -0.100 0.000 0.977 51 G CA 0.246 45.322 45.100 -0.039 0.000 0.641 51 G HN 0.971 nan 8.290 nan 0.000 0.533 52 A N -0.396 122.387 122.820 -0.062 0.000 2.287 52 A HA 0.753 5.073 4.320 -0.000 0.000 0.273 52 A C 0.256 177.832 177.584 -0.014 0.000 1.091 52 A CA -0.429 51.567 52.037 -0.068 0.000 0.817 52 A CB 0.406 19.425 19.000 0.032 0.000 1.069 52 A HN 0.586 nan 8.150 nan 0.000 0.492 53 F N -0.091 119.956 119.950 0.161 0.000 2.471 53 F HA 0.302 4.829 4.527 -0.000 0.000 0.353 53 F C 0.371 176.302 175.800 0.220 0.000 1.113 53 F CA 0.366 58.450 58.000 0.141 0.000 1.262 53 F CB 0.620 39.684 39.000 0.108 0.000 1.146 53 F HN 0.258 nan 8.300 nan 0.000 0.578 54 I N 2.578 123.354 120.570 0.343 0.000 2.362 54 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 54 I C -0.119 176.116 176.117 0.196 0.000 0.994 54 I CA -0.454 60.975 61.300 0.216 0.000 1.158 54 I CB 1.717 39.753 38.000 0.060 0.000 1.315 54 I HN 0.566 nan 8.210 nan 0.000 0.451 55 T N 3.294 117.999 114.554 0.252 0.000 2.932 55 T HA 0.631 4.981 4.350 -0.000 0.000 0.289 55 T C -2.746 172.022 174.700 0.114 0.000 1.039 55 T CA -2.447 59.764 62.100 0.185 0.000 1.024 55 T CB 1.899 70.953 68.868 0.311 0.000 1.090 55 T HN 0.114 nan 8.240 nan 0.000 0.496 56 P HA 0.305 nan 4.420 nan 0.000 0.271 56 P C 0.515 177.852 177.300 0.062 0.000 1.233 56 P CA -0.120 63.015 63.100 0.058 0.000 0.789 56 P CB -0.019 31.716 31.700 0.059 0.000 0.951 57 G N 0.206 109.026 108.800 0.033 0.000 2.491 57 G HA2 0.413 4.373 3.960 -0.000 0.000 0.242 57 G HA3 0.413 4.373 3.960 -0.000 0.000 0.242 57 G C 0.358 175.278 174.900 0.033 0.000 1.266 57 G CA -0.189 44.921 45.100 0.016 0.000 0.844 57 G HN 0.590 nan 8.290 nan 0.000 0.571 58 G N -0.451 108.365 108.800 0.028 0.000 2.491 58 G HA2 0.435 4.395 3.960 -0.000 0.000 0.242 58 G HA3 0.435 4.395 3.960 -0.000 0.000 0.242 58 G C -0.290 174.624 174.900 0.024 0.000 1.266 58 G CA -0.468 44.656 45.100 0.039 0.000 0.844 58 G HN 0.614 nan 8.290 nan 0.000 0.571 59 I N 1.352 121.946 120.570 0.039 0.000 2.410 59 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 59 I C -1.095 175.054 176.117 0.053 0.000 1.009 59 I CA -0.649 60.673 61.300 0.036 0.000 1.111 59 I CB 2.114 40.143 38.000 0.049 0.000 1.262 59 I HN 0.302 nan 8.210 nan 0.000 0.443 60 D N 5.699 126.119 120.400 0.033 0.000 2.454 60 D HA 0.430 5.070 4.640 -0.000 0.000 0.225 60 D C 0.406 176.735 176.300 0.047 0.000 1.081 60 D CA -0.262 53.772 54.000 0.057 0.000 0.864 60 D CB 1.803 42.626 40.800 0.038 0.000 1.040 60 D HN 0.606 nan 8.370 nan 0.000 0.517 61 A N 3.662 126.542 122.820 0.100 0.000 2.415 61 A HA 0.076 4.396 4.320 -0.000 0.000 0.248 61 A C 0.380 178.017 177.584 0.089 0.000 1.299 61 A CA -0.080 51.977 52.037 0.033 0.000 0.899 61 A CB -0.364 18.681 19.000 0.075 0.000 0.997 61 A HN 0.658 nan 8.150 nan 0.000 0.506 62 H N -0.826 118.297 119.070 0.089 0.000 2.490 62 H HA 0.507 5.063 4.556 -0.000 0.000 0.230 62 H C -1.699 173.736 175.328 0.178 0.000 1.417 62 H CA -0.179 55.987 56.048 0.198 0.000 1.449 62 H CB 0.743 30.657 29.762 0.254 0.000 1.649 62 H HN 0.032 nan 8.280 nan 0.000 0.519 63 V N 3.735 123.742 119.914 0.154 0.000 2.487 63 V HA 0.237 4.357 4.120 -0.000 0.000 0.298 63 V C -0.398 175.771 176.094 0.126 0.000 1.028 63 V CA -0.790 61.619 62.300 0.183 0.000 0.860 63 V CB 1.582 33.448 31.823 0.072 0.000 0.991 63 V HN 0.684 nan 8.190 nan 0.000 0.427 64 H N 3.603 122.914 119.070 0.403 0.000 2.504 64 H HA 0.611 5.167 4.556 -0.000 0.000 0.322 64 H C -0.678 174.772 175.328 0.203 0.000 1.055 64 H CA -0.344 55.893 56.048 0.314 0.000 1.231 64 H CB 2.197 32.096 29.762 0.228 0.000 1.417 64 H HN 0.353 nan 8.280 nan 0.000 0.472 65 V N 2.266 122.333 119.914 0.254 0.000 2.919 65 V HA -0.005 4.115 4.120 -0.000 0.000 0.316 65 V C 0.147 176.350 176.094 0.181 0.000 1.077 65 V CA -0.869 61.522 62.300 0.152 0.000 0.977 65 V CB 2.522 34.338 31.823 -0.012 0.000 1.039 65 V HN 0.727 nan 8.190 nan 0.000 0.441 66 D N 2.421 122.913 120.400 0.153 0.000 2.472 66 D HA 0.227 4.867 4.640 -0.000 0.000 0.248 66 D C -0.247 176.187 176.300 0.224 0.000 1.174 66 D CA 0.394 54.489 54.000 0.158 0.000 0.883 66 D CB 0.502 41.382 40.800 0.132 0.000 1.149 66 D HN 0.697 nan 8.370 nan 0.000 0.488 67 E N 3.338 123.643 120.200 0.174 0.000 2.312 67 E HA 0.455 4.805 4.350 -0.000 0.000 0.267 67 E C -2.198 174.440 176.600 0.063 0.000 0.894 67 E CA -1.515 54.966 56.400 0.136 0.000 0.773 67 E CB 1.338 31.149 29.700 0.185 0.000 1.241 67 E HN 0.069 nan 8.360 nan 0.000 0.432 68 P HA -0.158 nan 4.420 nan 0.000 0.218 68 P C 0.973 178.287 177.300 0.023 0.000 1.148 68 P CA 1.167 64.266 63.100 -0.002 0.000 0.822 68 P CB 0.228 31.903 31.700 -0.041 0.000 0.784 69 L N -0.840 120.408 121.223 0.041 0.000 2.478 69 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 69 L C 0.805 177.701 176.870 0.043 0.000 1.140 69 L CA 0.344 55.215 54.840 0.052 0.000 0.842 69 L CB -0.782 41.326 42.059 0.082 0.000 0.953 69 L HN -0.028 nan 8.230 nan 0.000 0.452 70 K N 0.262 120.692 120.400 0.050 0.000 3.278 70 K HA -0.239 4.081 4.320 -0.000 0.000 0.270 70 K C 1.069 177.678 176.600 0.016 0.000 0.955 70 K CA 0.269 56.582 56.287 0.044 0.000 0.723 70 K CB -1.500 31.021 32.500 0.036 0.000 1.382 70 K HN 0.201 nan 8.250 nan 0.000 0.461 71 L N 0.206 121.437 121.223 0.013 0.000 2.042 71 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 71 L C 1.578 178.393 176.870 -0.092 0.000 1.076 71 L CA 1.808 56.611 54.840 -0.061 0.000 0.749 71 L CB 0.015 42.039 42.059 -0.057 0.000 0.893 71 L HN 0.474 nan 8.230 nan 0.000 0.432 72 L N -0.030 121.176 121.223 -0.028 0.000 2.783 72 L HA 0.343 4.683 4.340 -0.000 0.000 0.236 72 L C 1.126 178.033 176.870 0.062 0.000 1.225 72 L CA -0.064 54.766 54.840 -0.017 0.000 1.026 72 L CB -1.387 40.688 42.059 0.026 0.000 1.314 72 L HN 0.463 nan 8.230 nan 0.000 0.489 73 G N 0.713 109.527 108.800 0.023 0.000 2.633 73 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.263 73 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.263 73 G C -0.494 174.471 174.900 0.109 0.000 1.310 73 G CA -0.490 44.641 45.100 0.052 0.000 0.914 73 G HN 0.366 nan 8.290 nan 0.000 0.569 74 D N 0.007 120.480 120.400 0.121 0.000 2.383 74 D HA 0.456 5.096 4.640 -0.000 0.000 0.252 74 D C 0.551 176.951 176.300 0.167 0.000 1.166 74 D CA 0.050 54.124 54.000 0.122 0.000 0.879 74 D CB 1.438 42.296 40.800 0.097 0.000 1.164 74 D HN 0.453 nan 8.370 nan 0.000 0.462 75 V N 2.669 122.618 119.914 0.058 0.000 2.547 75 V HA 0.114 4.234 4.120 -0.000 0.000 0.299 75 V C 1.574 177.628 176.094 -0.067 0.000 1.040 75 V CA -0.687 61.543 62.300 -0.117 0.000 0.913 75 V CB 1.829 33.573 31.823 -0.131 0.000 0.992 75 V HN 0.495 nan 8.190 nan 0.000 0.449 76 V N -0.307 119.523 119.914 -0.140 0.000 2.548 76 V HA 0.041 4.161 4.120 -0.000 0.000 0.249 76 V C 0.583 176.633 176.094 -0.072 0.000 1.055 76 V CA 1.107 63.351 62.300 -0.094 0.000 1.065 76 V CB -0.378 31.365 31.823 -0.134 0.000 0.681 76 V HN 0.785 nan 8.190 nan 0.000 0.462 77 D N 2.410 122.793 120.400 -0.027 0.000 2.277 77 D HA 0.430 5.070 4.640 -0.000 0.000 0.249 77 D C 0.773 177.203 176.300 0.215 0.000 1.134 77 D CA 0.575 54.653 54.000 0.130 0.000 0.863 77 D CB 1.593 42.501 40.800 0.180 0.000 1.143 77 D HN 0.691 nan 8.370 nan 0.000 0.458 78 T N -0.383 114.408 114.554 0.395 0.000 2.729 78 T HA 0.071 4.421 4.350 -0.000 0.000 0.298 78 T C 1.325 176.011 174.700 -0.023 0.000 1.013 78 T CA -0.547 61.649 62.100 0.160 0.000 0.957 78 T CB 0.567 69.479 68.868 0.074 0.000 1.130 78 T HN 0.158 nan 8.240 nan 0.000 0.526 79 M N 0.147 119.605 119.600 -0.237 0.000 2.229 79 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 79 M C 2.244 178.405 176.300 -0.232 0.000 1.063 79 M CA 1.531 56.549 55.300 -0.471 0.000 1.114 79 M CB -1.134 30.807 32.600 -1.098 0.000 1.387 79 M HN 0.905 nan 8.290 nan 0.000 0.420 80 E N -0.990 119.109 120.200 -0.169 0.000 2.038 80 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 80 E C 1.784 178.368 176.600 -0.027 0.000 1.000 80 E CA 2.120 58.471 56.400 -0.081 0.000 0.803 80 E CB -0.239 29.349 29.700 -0.186 0.000 0.750 80 E HN 0.737 nan 8.360 nan 0.000 0.448 81 H N -0.390 118.714 119.070 0.056 0.000 2.357 81 H HA -0.002 4.554 4.556 -0.000 0.000 0.301 81 H C 2.051 177.373 175.328 -0.009 0.000 1.082 81 H CA 1.233 57.300 56.048 0.031 0.000 1.342 81 H CB -0.089 29.700 29.762 0.045 0.000 1.389 81 H HN 0.307 nan 8.280 nan 0.000 0.511 82 A N 0.606 123.474 122.820 0.080 0.000 1.877 82 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 82 A C 2.500 180.024 177.584 -0.099 0.000 1.186 82 A CA 2.123 54.130 52.037 -0.051 0.000 0.620 82 A CB -1.126 17.822 19.000 -0.086 0.000 0.822 82 A HN 0.600 nan 8.150 nan 0.000 0.443 83 T N -2.391 112.133 114.554 -0.051 0.000 2.867 83 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 83 T C 1.986 176.668 174.700 -0.031 0.000 1.057 83 T CA 1.274 63.373 62.100 -0.002 0.000 1.136 83 T CB -0.335 68.583 68.868 0.083 0.000 0.874 83 T HN 0.478 nan 8.240 nan 0.000 0.466 84 R N 0.582 120.990 120.500 -0.153 0.000 2.073 84 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 84 R C 2.817 178.930 176.300 -0.311 0.000 1.134 84 R CA 1.618 57.372 56.100 -0.577 0.000 0.952 84 R CB -0.646 29.203 30.300 -0.751 0.000 0.850 84 R HN 0.448 nan 8.270 nan 0.000 0.433 85 S N -0.306 115.290 115.700 -0.173 0.000 2.368 85 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 85 S C 1.926 176.424 174.600 -0.171 0.000 1.029 85 S CA 1.083 59.203 58.200 -0.134 0.000 0.988 85 S CB -0.199 62.975 63.200 -0.044 0.000 0.838 85 S HN 0.522 nan 8.310 nan 0.000 0.462 86 A N 0.947 123.666 122.820 -0.169 0.000 1.873 86 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 86 A C 2.330 179.800 177.584 -0.190 0.000 1.193 86 A CA 2.101 54.041 52.037 -0.161 0.000 0.629 86 A CB -1.283 17.643 19.000 -0.123 0.000 0.826 86 A HN 0.436 nan 8.150 nan 0.000 0.447 87 V N -0.289 119.514 119.914 -0.184 0.000 2.407 87 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 87 V C 2.949 178.781 176.094 -0.436 0.000 1.055 87 V CA 1.883 64.060 62.300 -0.205 0.000 1.049 87 V CB -1.026 30.750 31.823 -0.078 0.000 0.662 87 V HN 0.641 nan 8.190 nan 0.000 0.455 88 A N -0.195 122.288 122.820 -0.562 0.000 2.121 88 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 88 A C 1.991 179.190 177.584 -0.642 0.000 1.154 88 A CA 1.470 52.888 52.037 -1.032 0.000 0.679 88 A CB -0.455 18.227 19.000 -0.530 0.000 0.795 88 A HN 0.585 nan 8.150 nan 0.000 0.458 89 G N -2.596 105.927 108.800 -0.462 0.000 3.651 89 G HA2 0.418 4.378 3.960 -0.000 0.000 0.279 89 G HA3 0.418 4.378 3.960 -0.000 0.000 0.279 89 G C 0.964 175.555 174.900 -0.515 0.000 1.024 89 G CA 0.391 45.163 45.100 -0.547 0.000 0.813 89 G HN 1.453 nan 8.290 nan 0.000 0.518 90 G N -0.169 108.358 108.800 -0.455 0.000 2.159 90 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.256 90 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.256 90 G C 0.348 175.141 174.900 -0.178 0.000 0.977 90 G CA 0.436 45.325 45.100 -0.352 0.000 0.652 90 G HN 0.610 nan 8.290 nan 0.000 0.531 91 T N 1.047 115.508 114.554 -0.154 0.000 2.771 91 T HA 0.525 4.875 4.350 -0.000 0.000 0.291 91 T C 1.350 176.008 174.700 -0.071 0.000 0.954 91 T CA 0.643 62.693 62.100 -0.083 0.000 1.045 91 T CB 1.398 70.222 68.868 -0.074 0.000 0.917 91 T HN 0.706 nan 8.240 nan 0.000 0.484 92 T N -0.855 113.675 114.554 -0.039 0.000 3.043 92 T HA 0.276 4.626 4.350 -0.000 0.000 0.272 92 T C 0.378 175.070 174.700 -0.013 0.000 0.990 92 T CA -0.282 61.804 62.100 -0.023 0.000 0.897 92 T CB 0.362 69.220 68.868 -0.017 0.000 1.111 92 T HN 0.487 nan 8.240 nan 0.000 0.529 93 T N 2.249 116.793 114.554 -0.017 0.000 2.971 93 T HA 0.631 4.981 4.350 -0.000 0.000 0.304 93 T C -0.873 173.810 174.700 -0.029 0.000 1.038 93 T CA -0.667 61.420 62.100 -0.022 0.000 1.007 93 T CB 2.109 70.959 68.868 -0.030 0.000 1.055 93 T HN 0.459 nan 8.240 nan 0.000 0.451 94 V N 0.613 120.509 119.914 -0.030 0.000 2.769 94 V HA 0.978 5.098 4.120 -0.000 0.000 0.312 94 V C -0.862 175.179 176.094 -0.089 0.000 1.061 94 V CA -0.884 61.385 62.300 -0.052 0.000 0.931 94 V CB 1.915 33.702 31.823 -0.060 0.000 1.010 94 V HN 0.634 nan 8.190 nan 0.000 0.433 95 V N 3.661 123.470 119.914 -0.175 0.000 2.407 95 V HA 0.884 5.004 4.120 -0.000 0.000 0.291 95 V C 0.603 176.439 176.094 -0.429 0.000 1.018 95 V CA 0.336 62.414 62.300 -0.369 0.000 0.842 95 V CB 0.636 32.065 31.823 -0.655 0.000 0.996 95 V HN 1.436 nan 8.190 nan 0.000 0.426 96 A N 4.360 126.976 122.820 -0.341 0.000 2.580 96 A HA 0.985 5.305 4.320 -0.000 0.000 0.275 96 A C -1.050 176.254 177.584 -0.468 0.000 1.321 96 A CA -0.482 51.384 52.037 -0.286 0.000 0.924 96 A CB 0.875 19.845 19.000 -0.049 0.000 1.512 96 A HN 0.589 nan 8.150 nan 0.000 0.492 97 F N -0.182 119.823 119.950 0.090 0.000 2.493 97 F HA 0.504 5.031 4.527 -0.000 0.000 0.329 97 F C 0.632 176.548 175.800 0.195 0.000 1.126 97 F CA -0.240 57.856 58.000 0.160 0.000 0.937 97 F CB 2.233 41.343 39.000 0.183 0.000 1.146 97 F HN 0.353 nan 8.300 nan 0.000 0.442 98 S N 2.187 118.085 115.700 0.330 0.000 2.452 98 S HA 0.394 4.864 4.470 -0.000 0.000 0.284 98 S C -0.267 174.508 174.600 0.292 0.000 1.171 98 S CA -0.479 57.872 58.200 0.252 0.000 1.064 98 S CB 0.252 63.546 63.200 0.158 0.000 0.967 98 S HN 0.602 nan 8.310 nan 0.000 0.484 99 T N 5.334 120.044 114.554 0.261 0.000 2.780 99 T HA 0.185 4.535 4.350 -0.000 0.000 0.294 99 T C 0.186 175.045 174.700 0.265 0.000 0.949 99 T CA -0.270 62.009 62.100 0.299 0.000 1.074 99 T CB 0.855 69.878 68.868 0.259 0.000 0.910 99 T HN 0.764 nan 8.240 nan 0.000 0.501 100 Q N 2.677 122.655 119.800 0.297 0.000 2.308 100 Q HA -0.083 4.257 4.340 -0.000 0.000 0.313 100 Q C -0.487 175.610 176.000 0.161 0.000 1.075 100 Q CA 0.172 56.067 55.803 0.153 0.000 0.995 100 Q CB 0.338 29.060 28.738 -0.027 0.000 1.107 100 Q HN 0.532 nan 8.270 nan 0.000 0.380 101 D N 3.772 124.226 120.400 0.091 0.000 2.412 101 D HA 0.078 4.718 4.640 -0.000 0.000 0.224 101 D C 0.870 177.193 176.300 0.038 0.000 1.093 101 D CA -0.470 53.583 54.000 0.088 0.000 0.850 101 D CB 1.264 42.105 40.800 0.067 0.000 1.046 101 D HN 0.421 nan 8.370 nan 0.000 0.507 102 V N 2.143 122.083 119.914 0.044 0.000 2.913 102 V HA -0.115 4.005 4.120 -0.000 0.000 0.260 102 V C 1.807 177.913 176.094 0.020 0.000 1.098 102 V CA 1.628 63.929 62.300 0.001 0.000 1.121 102 V CB -0.976 30.859 31.823 0.020 0.000 0.714 102 V HN 0.517 nan 8.190 nan 0.000 0.487 103 S N -0.399 115.323 115.700 0.036 0.000 2.481 103 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 103 S C 0.968 175.581 174.600 0.023 0.000 0.996 103 S CA 0.098 58.316 58.200 0.030 0.000 0.942 103 S CB -0.440 62.781 63.200 0.034 0.000 0.768 103 S HN 0.661 nan 8.310 nan 0.000 0.520 104 K N 1.799 122.212 120.400 0.022 0.000 2.174 104 K HA 0.489 4.809 4.320 -0.000 0.000 0.275 104 K C -0.099 176.509 176.600 0.014 0.000 1.015 104 K CA -0.262 56.037 56.287 0.020 0.000 0.933 104 K CB 0.914 33.430 32.500 0.026 0.000 1.025 104 K HN 0.182 nan 8.250 nan 0.000 0.463 105 K N 0.072 120.482 120.400 0.015 0.000 2.372 105 K HA 0.605 4.925 4.320 -0.000 0.000 0.251 105 K C 0.106 176.716 176.600 0.017 0.000 1.055 105 K CA -0.526 55.768 56.287 0.012 0.000 0.879 105 K CB 1.903 34.410 32.500 0.011 0.000 1.384 105 K HN 0.792 nan 8.250 nan 0.000 0.465 106 G N 0.645 109.455 108.800 0.016 0.000 2.760 106 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 106 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 106 G C -2.168 172.746 174.900 0.023 0.000 1.359 106 G CA -0.529 44.583 45.100 0.019 0.000 0.861 106 G HN 0.351 nan 8.290 nan 0.000 0.541 107 P HA -0.072 nan 4.420 nan 0.000 0.217 107 P C 1.925 179.250 177.300 0.041 0.000 1.148 107 P CA 2.545 65.663 63.100 0.030 0.000 0.828 107 P CB -0.092 31.624 31.700 0.028 0.000 0.783 108 S N -2.068 113.658 115.700 0.043 0.000 2.575 108 S HA 0.327 4.797 4.470 -0.000 0.000 0.215 108 S C 1.835 176.474 174.600 0.065 0.000 0.966 108 S CA 0.262 58.498 58.200 0.059 0.000 0.911 108 S CB -0.741 62.491 63.200 0.054 0.000 0.780 108 S HN 0.072 nan 8.310 nan 0.000 0.514 109 A N 2.432 125.282 122.820 0.049 0.000 1.948 109 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 109 A C 2.112 179.728 177.584 0.054 0.000 1.177 109 A CA 1.524 53.586 52.037 0.042 0.000 0.636 109 A CB -0.716 18.299 19.000 0.024 0.000 0.815 109 A HN 0.588 nan 8.150 nan 0.000 0.449 110 L N -1.593 119.672 121.223 0.071 0.000 2.202 110 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 110 L C 3.027 179.969 176.870 0.119 0.000 1.083 110 L CA 0.669 55.564 54.840 0.092 0.000 0.790 110 L CB -0.555 41.568 42.059 0.105 0.000 0.942 110 L HN 0.386 nan 8.230 nan 0.000 0.452 111 A N 0.147 123.061 122.820 0.157 0.000 1.908 111 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 111 A C 2.195 179.886 177.584 0.178 0.000 1.181 111 A CA 1.546 53.731 52.037 0.247 0.000 0.627 111 A CB -0.350 18.810 19.000 0.267 0.000 0.818 111 A HN 0.322 nan 8.150 nan 0.000 0.445 112 E N 0.310 120.581 120.200 0.119 0.000 2.118 112 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 112 E C 2.357 178.961 176.600 0.007 0.000 0.992 112 E CA 1.393 57.833 56.400 0.067 0.000 0.804 112 E CB -0.548 29.185 29.700 0.056 0.000 0.741 112 E HN 0.585 nan 8.360 nan 0.000 0.458 113 S N 0.471 116.181 115.700 0.017 0.000 2.382 113 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 113 S C 2.243 176.809 174.600 -0.056 0.000 1.027 113 S CA 1.052 59.258 58.200 0.009 0.000 0.991 113 S CB -0.148 63.086 63.200 0.058 0.000 0.823 113 S HN 0.065 nan 8.310 nan 0.000 0.469 114 V N 1.983 121.819 119.914 -0.130 0.000 2.358 114 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 114 V C 2.337 178.099 176.094 -0.554 0.000 1.047 114 V CA 1.746 63.853 62.300 -0.321 0.000 1.035 114 V CB -0.576 31.003 31.823 -0.407 0.000 0.658 114 V HN 0.444 nan 8.190 nan 0.000 0.452 115 K N 0.200 120.254 120.400 -0.576 0.000 2.113 115 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 115 K C 2.056 178.515 176.600 -0.235 0.000 1.047 115 K CA 1.607 57.651 56.287 -0.406 0.000 0.928 115 K CB -0.253 32.216 32.500 -0.051 0.000 0.716 115 K HN 0.422 nan 8.250 nan 0.000 0.446 116 L N 0.725 121.841 121.223 -0.177 0.000 2.046 116 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 116 L C 1.989 178.720 176.870 -0.232 0.000 1.077 116 L CA 1.279 56.031 54.840 -0.147 0.000 0.747 116 L CB -0.533 41.473 42.059 -0.089 0.000 0.896 116 L HN 0.298 nan 8.230 nan 0.000 0.432 117 D N -0.243 119.999 120.400 -0.264 0.000 2.091 117 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 117 D C 2.367 178.413 176.300 -0.423 0.000 0.980 117 D CA 1.044 54.796 54.000 -0.412 0.000 0.831 117 D CB -0.231 40.502 40.800 -0.113 0.000 0.987 117 D HN 0.088 nan 8.370 nan 0.000 0.460 118 V N 2.112 121.875 119.914 -0.252 0.000 2.332 118 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 118 V C 1.861 177.907 176.094 -0.079 0.000 1.055 118 V CA 1.891 64.102 62.300 -0.149 0.000 1.038 118 V CB -0.460 31.100 31.823 -0.437 0.000 0.651 118 V HN 0.046 nan 8.190 nan 0.000 0.450 119 D N -0.494 119.826 120.400 -0.134 0.000 2.144 119 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 119 D C 2.156 178.395 176.300 -0.102 0.000 0.984 119 D CA 1.365 55.317 54.000 -0.080 0.000 0.834 119 D CB -0.203 40.556 40.800 -0.068 0.000 0.955 119 D HN 0.521 nan 8.370 nan 0.000 0.465 120 E N -0.165 119.899 120.200 -0.227 0.000 2.077 120 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 120 E C 1.630 178.137 176.600 -0.156 0.000 0.989 120 E CA 1.123 57.366 56.400 -0.262 0.000 0.800 120 E CB -0.281 29.144 29.700 -0.459 0.000 0.746 120 E HN 0.511 nan 8.360 nan 0.000 0.452 121 Y N -0.281 120.015 120.300 -0.007 0.000 2.519 121 Y HA 0.009 4.559 4.550 -0.000 0.000 0.287 121 Y C 2.393 178.315 175.900 0.035 0.000 1.128 121 Y CA 0.263 58.347 58.100 -0.027 0.000 1.282 121 Y CB 0.106 38.485 38.460 -0.135 0.000 1.027 121 Y HN 0.134 nan 8.280 nan 0.000 0.551 122 S N 0.176 115.977 115.700 0.169 0.000 2.481 122 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 122 S C 1.153 175.801 174.600 0.080 0.000 0.996 122 S CA 1.011 59.291 58.200 0.133 0.000 0.942 122 S CB -0.304 62.953 63.200 0.094 0.000 0.768 122 S HN 0.569 nan 8.310 nan 0.000 0.520 123 E N 0.779 121.016 120.200 0.062 0.000 2.442 123 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 123 E C 0.542 177.160 176.600 0.031 0.000 1.030 123 E CA 0.110 56.532 56.400 0.037 0.000 0.869 123 E CB 0.035 29.750 29.700 0.024 0.000 0.857 123 E HN 0.682 nan 8.360 nan 0.000 0.505 124 Q N 1.079 120.906 119.800 0.045 0.000 2.221 124 Q HA 0.234 4.574 4.340 -0.000 0.000 0.242 124 Q C -0.442 175.544 176.000 -0.023 0.000 0.940 124 Q CA -0.231 55.580 55.803 0.012 0.000 0.896 124 Q CB 1.252 30.002 28.738 0.021 0.000 1.226 124 Q HN -0.098 nan 8.270 nan 0.000 0.463 125 T N 2.405 116.917 114.554 -0.070 0.000 2.779 125 T HA 0.316 4.666 4.350 -0.000 0.000 0.296 125 T C -0.222 174.351 174.700 -0.212 0.000 0.938 125 T CA -0.200 61.799 62.100 -0.168 0.000 1.119 125 T CB -0.064 68.668 68.868 -0.226 0.000 0.891 125 T HN 0.240 nan 8.240 nan 0.000 0.526 126 L N 3.623 124.724 121.223 -0.203 0.000 2.313 126 L HA 0.411 4.751 4.340 -0.000 0.000 0.283 126 L C 0.242 176.995 176.870 -0.196 0.000 1.013 126 L CA -0.936 53.838 54.840 -0.110 0.000 0.816 126 L CB 1.250 43.324 42.059 0.025 0.000 1.236 126 L HN 0.679 nan 8.230 nan 0.000 0.419 127 Y N 1.266 121.562 120.300 -0.008 0.000 2.490 127 Y HA 0.066 4.616 4.550 -0.000 0.000 0.285 127 Y C 1.115 177.014 175.900 -0.000 0.000 1.117 127 Y CA -0.295 57.804 58.100 -0.001 0.000 1.262 127 Y CB 0.475 38.931 38.460 -0.008 0.000 1.043 127 Y HN 0.732 nan 8.280 nan 0.000 0.553 128 C N -2.747 116.629 119.300 0.127 0.000 3.323 128 C HA 0.513 4.973 4.460 -0.000 0.000 0.324 128 C C -0.779 174.255 174.990 0.073 0.000 1.428 128 C CA -1.492 57.569 59.018 0.071 0.000 1.368 128 C CB 1.195 28.964 27.740 0.049 0.000 1.731 128 C HN -0.005 nan 8.230 nan 0.000 0.455 129 D N 0.847 121.270 120.400 0.038 0.000 2.362 129 D HA 0.480 5.120 4.640 -0.000 0.000 0.242 129 D C -0.632 175.707 176.300 0.065 0.000 1.132 129 D CA 0.737 54.749 54.000 0.020 0.000 0.907 129 D CB 0.648 41.410 40.800 -0.062 0.000 1.195 129 D HN 0.810 nan 8.370 nan 0.000 0.429 130 Y N -2.072 118.166 120.300 -0.104 0.000 2.534 130 Y HA 0.668 5.218 4.550 -0.000 0.000 0.345 130 Y C -0.325 175.451 175.900 -0.207 0.000 1.031 130 Y CA -1.103 56.917 58.100 -0.132 0.000 1.022 130 Y CB 1.269 39.667 38.460 -0.103 0.000 1.292 130 Y HN 0.332 nan 8.280 nan 0.000 0.459 131 G N 2.454 111.105 108.800 -0.248 0.000 2.735 131 G HA2 0.723 4.683 3.960 -0.000 0.000 0.301 131 G HA3 0.723 4.683 3.960 -0.000 0.000 0.301 131 G C -1.986 172.836 174.900 -0.131 0.000 1.279 131 G CA -1.315 43.545 45.100 -0.400 0.000 1.019 131 G HN 0.766 nan 8.290 nan 0.000 0.497 132 L N 0.532 121.687 121.223 -0.115 0.000 2.410 132 L HA 0.404 4.744 4.340 -0.000 0.000 0.270 132 L C -0.610 176.085 176.870 -0.292 0.000 0.983 132 L CA -1.097 53.678 54.840 -0.108 0.000 0.822 132 L CB 2.340 44.503 42.059 0.173 0.000 1.285 132 L HN 0.474 nan 8.230 nan 0.000 0.409 133 H N 2.511 121.418 119.070 -0.273 0.000 2.505 133 H HA 0.375 4.931 4.556 -0.000 0.000 0.351 133 H C -0.654 174.714 175.328 0.066 0.000 1.151 133 H CA -0.549 55.382 56.048 -0.195 0.000 1.339 133 H CB 2.393 31.880 29.762 -0.459 0.000 1.483 133 H HN 0.255 nan 8.280 nan 0.000 0.558 134 L N 2.451 123.859 121.223 0.308 0.000 2.295 134 L HA 0.331 4.671 4.340 -0.000 0.000 0.285 134 L C -0.443 176.654 176.870 0.380 0.000 1.035 134 L CA -0.222 54.811 54.840 0.322 0.000 0.806 134 L CB 0.537 42.772 42.059 0.294 0.000 1.214 134 L HN 0.446 nan 8.230 nan 0.000 0.426 135 I N 5.534 126.352 120.570 0.413 0.000 2.315 135 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 135 I C -0.893 175.472 176.117 0.414 0.000 1.006 135 I CA -0.487 61.088 61.300 0.458 0.000 1.265 135 I CB 1.278 39.598 38.000 0.534 0.000 1.387 135 I HN 0.391 nan 8.210 nan 0.000 0.475 136 L N 7.669 129.117 121.223 0.376 0.000 2.313 136 L HA 0.376 4.716 4.340 -0.000 0.000 0.283 136 L C -0.041 177.051 176.870 0.369 0.000 1.013 136 L CA 0.092 55.089 54.840 0.261 0.000 0.816 136 L CB 1.190 43.351 42.059 0.169 0.000 1.236 136 L HN 0.597 nan 8.230 nan 0.000 0.419 137 F N 0.109 120.165 119.950 0.176 0.000 2.925 137 F HA 0.410 4.937 4.527 -0.000 0.000 0.355 137 F C 0.180 176.048 175.800 0.114 0.000 1.073 137 F CA -0.471 57.623 58.000 0.157 0.000 1.127 137 F CB 0.177 39.257 39.000 0.133 0.000 1.123 137 F HN 0.378 nan 8.300 nan 0.000 0.551 138 Q N 2.879 122.467 119.800 -0.353 0.000 2.347 138 Q HA 0.448 4.788 4.340 -0.000 0.000 0.265 138 Q C -1.427 174.516 176.000 -0.095 0.000 1.024 138 Q CA -0.500 55.179 55.803 -0.206 0.000 0.731 138 Q CB 1.661 30.196 28.738 -0.337 0.000 1.245 138 Q HN 0.254 nan 8.270 nan 0.000 0.472 139 I N 3.261 123.831 120.570 0.000 0.000 2.404 139 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 139 I C 0.346 176.489 176.117 0.043 0.000 0.992 139 I CA -0.795 60.522 61.300 0.029 0.000 1.149 139 I CB 1.523 39.566 38.000 0.071 0.000 1.315 139 I HN 0.531 nan 8.210 nan 0.000 0.446 140 E N 5.854 126.074 120.200 0.033 0.000 2.390 140 E HA 0.324 4.674 4.350 -0.000 0.000 0.261 140 E C -0.429 176.214 176.600 0.073 0.000 1.076 140 E CA -0.194 56.230 56.400 0.039 0.000 0.905 140 E CB 1.249 30.963 29.700 0.024 0.000 0.984 140 E HN 0.436 nan 8.360 nan 0.000 0.427 141 K N 1.654 122.096 120.400 0.071 0.000 2.426 141 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 141 K C -2.361 174.278 176.600 0.065 0.000 0.941 141 K CA -1.726 54.624 56.287 0.105 0.000 0.808 141 K CB 1.405 33.952 32.500 0.078 0.000 1.265 141 K HN 0.272 nan 8.250 nan 0.000 0.432 142 P HA 0.093 nan 4.420 nan 0.000 0.276 142 P C 0.687 178.072 177.300 0.141 0.000 1.252 142 P CA -0.588 62.601 63.100 0.149 0.000 0.802 142 P CB 0.774 32.536 31.700 0.102 0.000 1.035 143 S N -0.077 115.737 115.700 0.190 0.000 2.393 143 S HA -0.238 4.232 4.470 -0.000 0.000 0.235 143 S C 1.746 176.285 174.600 -0.102 0.000 1.061 143 S CA 2.205 60.361 58.200 -0.072 0.000 1.129 143 S CB -1.712 61.299 63.200 -0.315 0.000 1.011 143 S HN 0.245 nan 8.310 nan 0.000 0.436 144 V N 2.111 121.978 119.914 -0.078 0.000 2.407 144 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 144 V C 2.806 178.865 176.094 -0.059 0.000 1.055 144 V CA 2.265 64.506 62.300 -0.098 0.000 1.049 144 V CB -1.136 30.652 31.823 -0.057 0.000 0.662 144 V HN 0.425 nan 8.190 nan 0.000 0.455 145 E N 0.597 120.786 120.200 -0.019 0.000 2.016 145 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 145 E C 2.355 178.954 176.600 -0.001 0.000 0.985 145 E CA 1.383 57.782 56.400 -0.002 0.000 0.802 145 E CB -0.827 28.880 29.700 0.012 0.000 0.762 145 E HN 0.472 nan 8.360 nan 0.000 0.448 146 A N 1.935 124.758 122.820 0.006 0.000 1.894 146 A HA -0.380 3.940 4.320 -0.000 0.000 0.220 146 A C 2.170 179.756 177.584 0.003 0.000 1.237 146 A CA 3.003 55.048 52.037 0.012 0.000 0.660 146 A CB -0.998 18.021 19.000 0.032 0.000 0.835 146 A HN 0.366 nan 8.150 nan 0.000 0.461 147 R N -0.724 119.758 120.500 -0.031 0.000 2.152 147 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 147 R C 1.675 178.019 176.300 0.073 0.000 1.117 147 R CA 1.740 57.846 56.100 0.010 0.000 0.981 147 R CB -0.402 29.794 30.300 -0.174 0.000 0.870 147 R HN 0.656 nan 8.270 nan 0.000 0.451 148 E N 0.482 120.700 120.200 0.030 0.000 2.276 148 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 148 E C 1.852 178.474 176.600 0.035 0.000 0.983 148 E CA 0.276 56.708 56.400 0.054 0.000 0.861 148 E CB 0.198 29.921 29.700 0.038 0.000 0.817 148 E HN 0.291 nan 8.360 nan 0.000 0.485 149 L N 0.719 121.955 121.223 0.022 0.000 2.307 149 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 149 L C 2.018 178.894 176.870 0.010 0.000 1.099 149 L CA 0.116 54.966 54.840 0.016 0.000 0.816 149 L CB 0.216 42.284 42.059 0.014 0.000 0.952 149 L HN 0.149 nan 8.230 nan 0.000 0.455 150 L N 0.138 121.366 121.223 0.009 0.000 2.191 150 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 150 L C 1.916 178.765 176.870 -0.036 0.000 1.103 150 L CA 1.932 56.768 54.840 -0.007 0.000 0.769 150 L CB -0.650 41.411 42.059 0.003 0.000 0.908 150 L HN 0.352 nan 8.230 nan 0.000 0.438 151 D N -1.318 119.069 120.400 -0.020 0.000 2.097 151 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 151 D C 2.094 178.365 176.300 -0.048 0.000 0.984 151 D CA 1.459 55.425 54.000 -0.055 0.000 0.826 151 D CB 0.036 40.823 40.800 -0.023 0.000 0.973 151 D HN 0.159 nan 8.370 nan 0.000 0.460 152 V N 0.273 120.180 119.914 -0.012 0.000 2.407 152 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 152 V C 2.528 178.633 176.094 0.018 0.000 1.055 152 V CA 1.799 64.103 62.300 0.008 0.000 1.049 152 V CB -0.600 31.232 31.823 0.016 0.000 0.662 152 V HN 0.293 nan 8.190 nan 0.000 0.455 153 Q N -0.700 119.105 119.800 0.009 0.000 2.119 153 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 153 Q C 2.298 178.320 176.000 0.037 0.000 0.972 153 Q CA 1.270 57.090 55.803 0.027 0.000 0.847 153 Q CB -0.103 28.646 28.738 0.018 0.000 0.903 153 Q HN 0.552 nan 8.270 nan 0.000 0.433 154 L N 0.207 121.404 121.223 -0.043 0.000 2.072 154 L HA -0.203 4.137 4.340 -0.000 0.000 0.205 154 L C 2.374 179.304 176.870 0.100 0.000 1.079 154 L CA 1.158 55.922 54.840 -0.126 0.000 0.752 154 L CB -0.417 41.298 42.059 -0.573 0.000 0.906 154 L HN 0.306 nan 8.230 nan 0.000 0.436 155 Q N -0.130 119.715 119.800 0.075 0.000 2.112 155 Q HA -0.241 4.098 4.340 -0.000 0.000 0.206 155 Q C 2.388 178.521 176.000 0.222 0.000 0.987 155 Q CA 1.917 57.829 55.803 0.183 0.000 0.858 155 Q CB -0.274 28.523 28.738 0.098 0.000 0.905 155 Q HN 0.564 nan 8.270 nan 0.000 0.420 156 A N 0.805 123.716 122.820 0.152 0.000 1.898 156 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 156 A C 2.267 179.959 177.584 0.181 0.000 1.181 156 A CA 1.512 53.627 52.037 0.130 0.000 0.620 156 A CB -0.737 18.321 19.000 0.096 0.000 0.819 156 A HN 0.406 nan 8.150 nan 0.000 0.442 157 A N -1.581 121.391 122.820 0.253 0.000 1.930 157 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 157 A C 2.134 179.941 177.584 0.373 0.000 1.175 157 A CA 1.629 53.864 52.037 0.331 0.000 0.627 157 A CB -0.746 18.458 19.000 0.341 0.000 0.815 157 A HN 0.703 nan 8.150 nan 0.000 0.443 158 Y N 1.569 122.053 120.300 0.305 0.000 2.133 158 Y HA -0.193 4.357 4.550 -0.000 0.000 0.287 158 Y C 2.186 178.162 175.900 0.128 0.000 1.134 158 Y CA 2.066 60.299 58.100 0.221 0.000 1.133 158 Y CB -0.309 38.325 38.460 0.291 0.000 0.987 158 Y HN 0.323 nan 8.280 nan 0.000 0.502 159 N N 0.504 119.211 118.700 0.010 0.000 2.142 159 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 159 N C 1.306 176.711 175.510 -0.174 0.000 1.023 159 N CA 1.679 54.648 53.050 -0.135 0.000 0.852 159 N CB -0.506 37.983 38.487 0.003 0.000 0.998 159 N HN 0.444 nan 8.380 nan 0.000 0.424 160 D N -0.813 119.506 120.400 -0.135 0.000 2.123 160 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 160 D C 0.862 176.852 176.300 -0.517 0.000 0.976 160 D CA 1.164 54.955 54.000 -0.349 0.000 0.831 160 D CB -0.064 40.510 40.800 -0.376 0.000 0.974 160 D HN 0.411 nan 8.370 nan 0.000 0.469 161 Y N -1.587 118.710 120.300 -0.006 0.000 2.610 161 Y HA 0.308 4.858 4.550 -0.000 0.000 0.254 161 Y C 1.239 177.207 175.900 0.112 0.000 1.110 161 Y CA -0.150 57.986 58.100 0.061 0.000 1.238 161 Y CB 1.357 39.838 38.460 0.035 0.000 1.322 161 Y HN -0.038 nan 8.280 nan 0.000 0.547 162 G N 1.603 110.435 108.800 0.053 0.000 2.305 162 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 162 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 162 G C -0.323 174.648 174.900 0.118 0.000 1.036 162 G CA 0.343 45.418 45.100 -0.042 0.000 0.887 162 G HN 0.129 nan 8.290 nan 0.000 0.505 163 V N 0.913 120.950 119.914 0.206 0.000 2.406 163 V HA 0.553 4.673 4.120 -0.000 0.000 0.272 163 V C 1.127 177.167 176.094 -0.091 0.000 1.043 163 V CA 0.654 63.032 62.300 0.130 0.000 0.915 163 V CB 1.570 33.525 31.823 0.220 0.000 0.988 163 V HN 0.958 nan 8.190 nan 0.000 0.466 164 S N 1.531 117.023 115.700 -0.346 0.000 2.937 164 S HA 0.280 4.750 4.470 -0.000 0.000 0.252 164 S C 0.181 174.342 174.600 -0.732 0.000 1.022 164 S CA -0.077 57.532 58.200 -0.984 0.000 1.079 164 S CB 0.346 63.272 63.200 -0.458 0.000 1.035 164 S HN 0.763 nan 8.310 nan 0.000 0.594 165 S N 0.022 115.582 115.700 -0.233 0.000 2.541 165 S HA 0.874 5.344 4.470 -0.000 0.000 0.280 165 S C -0.677 174.105 174.600 0.304 0.000 1.112 165 S CA -0.666 57.617 58.200 0.139 0.000 0.925 165 S CB 1.808 65.189 63.200 0.302 0.000 1.067 165 S HN 0.142 nan 8.310 nan 0.000 0.479 169 F N 1.438 121.482 119.950 0.156 0.000 2.495 169 F HA 0.557 5.084 4.527 -0.000 0.000 0.327 169 F C 0.688 176.525 175.800 0.063 0.000 1.103 169 F CA -0.519 57.539 58.000 0.095 0.000 0.949 169 F CB 1.615 40.644 39.000 0.047 0.000 1.142 169 F HN 0.530 nan 8.300 nan 0.000 0.457 170 M N 1.038 120.751 119.600 0.187 0.000 2.383 170 M HA 0.160 4.640 4.480 -0.000 0.000 0.247 170 M C 0.155 176.478 176.300 0.039 0.000 1.117 170 M CA 0.299 55.674 55.300 0.126 0.000 0.995 170 M CB 0.638 33.318 32.600 0.133 0.000 1.480 170 M HN 0.673 nan 8.290 nan 0.000 0.485 171 T N -1.062 113.445 114.554 -0.077 0.000 2.778 171 T HA 0.543 4.893 4.350 -0.000 0.000 0.293 171 T C -1.744 172.777 174.700 -0.298 0.000 1.144 171 T CA -0.203 61.748 62.100 -0.248 0.000 1.010 171 T CB 1.009 69.626 68.868 -0.417 0.000 1.325 171 T HN 0.313 nan 8.240 nan 0.000 0.515 172 Y N -1.022 119.245 120.300 -0.055 0.000 2.605 172 Y HA -0.109 4.441 4.550 -0.000 0.000 0.025 172 Y C -2.644 173.194 175.900 -0.104 0.000 1.812 172 Y CA -1.059 56.970 58.100 -0.118 0.000 1.350 172 Y CB -1.155 37.152 38.460 -0.256 0.000 2.002 172 Y HN 0.493 nan 8.280 nan 0.000 0.268 173 P HA 0.212 nan 4.420 nan 0.000 0.267 173 P C 0.913 178.194 177.300 -0.031 0.000 1.209 173 P CA 1.838 64.950 63.100 0.019 0.000 0.763 173 P CB 0.786 32.489 31.700 0.005 0.000 0.816 174 G N 2.369 111.159 108.800 -0.017 0.000 2.234 174 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.235 174 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.235 174 G C 0.567 175.401 174.900 -0.110 0.000 0.997 174 G CA 0.174 45.239 45.100 -0.059 0.000 0.623 174 G HN 0.485 nan 8.290 nan 0.000 0.514 175 L N 0.097 121.267 121.223 -0.089 0.000 2.624 175 L HA 0.351 4.691 4.340 -0.000 0.000 0.222 175 L C 1.427 178.390 176.870 0.155 0.000 1.046 175 L CA 0.269 55.067 54.840 -0.070 0.000 0.872 175 L CB 0.027 41.829 42.059 -0.428 0.000 1.190 175 L HN 0.354 nan 8.230 nan 0.000 0.487 176 Q N 2.661 122.531 119.800 0.118 0.000 2.283 176 Q HA 0.104 4.444 4.340 -0.000 0.000 0.301 176 Q C -0.674 175.428 176.000 0.169 0.000 1.063 176 Q CA 0.405 56.294 55.803 0.143 0.000 0.952 176 Q CB 0.497 29.285 28.738 0.083 0.000 1.166 176 Q HN 0.380 nan 8.270 nan 0.000 0.381 177 I N 0.367 121.046 120.570 0.182 0.000 2.689 177 I HA 0.518 4.688 4.170 -0.000 0.000 0.299 177 I C -0.028 176.172 176.117 0.138 0.000 1.059 177 I CA -1.176 60.223 61.300 0.165 0.000 1.055 177 I CB 1.991 40.102 38.000 0.186 0.000 1.243 177 I HN 0.643 nan 8.210 nan 0.000 0.425 178 S N 1.848 117.625 115.700 0.129 0.000 2.580 178 S HA 0.063 4.533 4.470 -0.000 0.000 0.266 178 S C 0.506 175.190 174.600 0.140 0.000 1.354 178 S CA -0.043 58.231 58.200 0.124 0.000 1.008 178 S CB 0.681 63.954 63.200 0.122 0.000 0.898 178 S HN 0.731 nan 8.310 nan 0.000 0.555 179 D N 0.134 120.612 120.400 0.131 0.000 2.144 179 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 179 D C 1.476 177.861 176.300 0.141 0.000 0.984 179 D CA 1.509 55.582 54.000 0.121 0.000 0.834 179 D CB -0.531 40.329 40.800 0.099 0.000 0.955 179 D HN 0.776 nan 8.370 nan 0.000 0.465 180 Y N 1.788 122.108 120.300 0.033 0.000 2.128 180 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 180 Y C 1.745 177.664 175.900 0.032 0.000 1.154 180 Y CA 1.689 59.801 58.100 0.021 0.000 1.149 180 Y CB 0.093 38.559 38.460 0.010 0.000 0.976 180 Y HN -0.166 nan 8.280 nan 0.000 0.505 181 D N 0.275 120.832 120.400 0.262 0.000 2.117 181 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 181 D C 2.276 178.633 176.300 0.094 0.000 0.982 181 D CA 1.652 55.754 54.000 0.170 0.000 0.828 181 D CB -0.309 40.600 40.800 0.181 0.000 0.967 181 D HN 0.463 nan 8.370 nan 0.000 0.464 182 I N 0.591 121.222 120.570 0.101 0.000 2.163 182 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 182 I C 2.525 178.680 176.117 0.064 0.000 1.085 182 I CA 0.970 62.321 61.300 0.086 0.000 1.347 182 I CB -0.225 37.831 38.000 0.092 0.000 1.044 182 I HN -0.029 nan 8.210 nan 0.000 0.408 183 M N -0.083 119.537 119.600 0.033 0.000 2.082 183 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 183 M C 2.550 178.871 176.300 0.035 0.000 1.069 183 M CA 1.838 57.150 55.300 0.020 0.000 1.102 183 M CB -0.518 32.045 32.600 -0.062 0.000 1.336 183 M HN 0.159 nan 8.290 nan 0.000 0.404 184 S N 0.584 116.255 115.700 -0.048 0.000 2.365 184 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 184 S C 2.089 176.741 174.600 0.088 0.000 1.039 184 S CA 1.536 59.725 58.200 -0.017 0.000 1.033 184 S CB -0.497 62.666 63.200 -0.062 0.000 0.887 184 S HN 0.592 nan 8.310 nan 0.000 0.447 185 A N 1.212 124.078 122.820 0.076 0.000 1.902 185 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 185 A C 2.154 179.794 177.584 0.093 0.000 1.181 185 A CA 1.503 53.586 52.037 0.077 0.000 0.623 185 A CB -0.593 18.452 19.000 0.075 0.000 0.818 185 A HN 0.483 nan 8.150 nan 0.000 0.443 186 M N -2.403 117.266 119.600 0.114 0.000 2.213 186 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 186 M C 2.160 178.559 176.300 0.166 0.000 1.062 186 M CA 1.638 57.011 55.300 0.121 0.000 1.105 186 M CB -0.390 32.283 32.600 0.122 0.000 1.385 186 M HN 0.625 nan 8.290 nan 0.000 0.417 187 Y N 0.775 121.139 120.300 0.108 0.000 2.145 187 Y HA -0.260 4.289 4.550 -0.000 0.000 0.286 187 Y C 2.393 178.348 175.900 0.091 0.000 1.145 187 Y CA 1.930 60.128 58.100 0.164 0.000 1.148 187 Y CB -0.250 38.304 38.460 0.156 0.000 0.981 187 Y HN 0.173 nan 8.280 nan 0.000 0.507 188 A N -0.634 122.291 122.820 0.175 0.000 1.898 188 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 188 A C 2.292 179.792 177.584 -0.140 0.000 1.181 188 A CA 2.337 54.373 52.037 -0.001 0.000 0.620 188 A CB -1.490 17.507 19.000 -0.007 0.000 0.819 188 A HN 0.598 nan 8.150 nan 0.000 0.442 189 T N -2.081 112.422 114.554 -0.084 0.000 2.812 189 T HA -0.155 4.195 4.350 -0.000 0.000 0.264 189 T C 2.025 176.721 174.700 -0.005 0.000 1.042 189 T CA 1.280 63.337 62.100 -0.071 0.000 1.140 189 T CB -0.386 68.514 68.868 0.053 0.000 0.870 189 T HN 0.481 nan 8.240 nan 0.000 0.445 190 R N 1.409 121.910 120.500 0.001 0.000 2.083 190 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 190 R C 2.643 178.924 176.300 -0.032 0.000 1.137 190 R CA 1.750 57.862 56.100 0.020 0.000 0.951 190 R CB -0.334 30.008 30.300 0.070 0.000 0.851 190 R HN 0.461 nan 8.270 nan 0.000 0.434 191 K N -0.008 120.283 120.400 -0.182 0.000 2.103 191 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 191 K C 1.062 177.501 176.600 -0.268 0.000 1.048 191 K CA 1.651 57.666 56.287 -0.452 0.000 0.930 191 K CB 0.025 32.031 32.500 -0.823 0.000 0.716 191 K HN 0.300 nan 8.250 nan 0.000 0.444 192 N N -0.434 118.165 118.700 -0.168 0.000 2.270 192 N HA 0.021 4.761 4.740 -0.000 0.000 0.198 192 N C 0.369 175.921 175.510 0.070 0.000 1.117 192 N CA 0.811 53.819 53.050 -0.070 0.000 0.845 192 N CB 1.129 39.525 38.487 -0.152 0.000 0.980 192 N HN 0.396 nan 8.380 nan 0.000 0.486 193 G N 1.285 110.115 108.800 0.049 0.000 2.203 193 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 193 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 193 G C -0.020 174.948 174.900 0.113 0.000 1.012 193 G CA -0.032 45.100 45.100 0.052 0.000 0.749 193 G HN 0.211 nan 8.290 nan 0.000 0.512 194 F N 0.976 120.878 119.950 -0.079 0.000 2.450 194 F HA 0.422 4.949 4.527 -0.000 0.000 0.339 194 F C 1.524 177.323 175.800 -0.002 0.000 1.146 194 F CA 0.127 58.106 58.000 -0.035 0.000 1.267 194 F CB 0.756 39.756 39.000 -0.001 0.000 1.178 194 F HN -0.025 nan 8.300 nan 0.000 0.585 195 T N 2.193 116.817 114.554 0.117 0.000 2.761 195 T HA 0.244 4.593 4.350 -0.000 0.000 0.296 195 T C -0.063 174.733 174.700 0.160 0.000 0.934 195 T CA -0.368 61.793 62.100 0.101 0.000 1.091 195 T CB 0.114 69.036 68.868 0.089 0.000 0.896 195 T HN 0.444 nan 8.240 nan 0.000 0.515 196 T N 5.702 120.319 114.554 0.103 0.000 2.749 196 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 196 T C 0.090 174.792 174.700 0.004 0.000 0.970 196 T CA -0.587 61.558 62.100 0.074 0.000 0.980 196 T CB 0.350 69.241 68.868 0.038 0.000 0.924 196 T HN 0.438 nan 8.240 nan 0.000 0.456 197 M N 3.893 123.497 119.600 0.008 0.000 2.364 197 M HA 0.556 5.036 4.480 -0.000 0.000 0.334 197 M C -0.902 175.340 176.300 -0.097 0.000 1.107 197 M CA -0.620 54.651 55.300 -0.049 0.000 0.988 197 M CB 1.803 34.392 32.600 -0.019 0.000 1.673 197 M HN 0.289 nan 8.290 nan 0.000 0.441 198 L N 1.631 122.761 121.223 -0.154 0.000 2.386 198 L HA 0.446 4.786 4.340 -0.000 0.000 0.271 198 L C -0.773 176.106 176.870 0.016 0.000 0.993 198 L CA -0.737 54.053 54.840 -0.084 0.000 0.819 198 L CB 2.074 44.087 42.059 -0.078 0.000 1.294 198 L HN 0.717 nan 8.230 nan 0.000 0.414 199 H N 3.050 122.052 119.070 -0.112 0.000 2.820 199 H HA 0.491 5.047 4.556 -0.000 0.000 0.278 199 H C -0.253 175.143 175.328 0.114 0.000 1.142 199 H CA -0.555 55.505 56.048 0.020 0.000 1.346 199 H CB 1.019 30.764 29.762 -0.029 0.000 1.438 199 H HN 0.651 nan 8.280 nan 0.000 0.473 200 A N 5.703 128.703 122.820 0.300 0.000 2.582 200 A HA 0.286 4.606 4.320 -0.000 0.000 0.336 200 A C -0.411 177.282 177.584 0.181 0.000 1.445 200 A CA -0.521 51.672 52.037 0.259 0.000 0.997 200 A CB 0.075 19.232 19.000 0.263 0.000 1.148 200 A HN 0.872 nan 8.150 nan 0.000 0.514 201 E N 1.073 121.402 120.200 0.215 0.000 2.314 201 E HA 0.153 4.503 4.350 -0.000 0.000 0.272 201 E C -0.963 175.669 176.600 0.053 0.000 0.884 201 E CA -0.706 55.754 56.400 0.100 0.000 0.753 201 E CB 1.848 31.613 29.700 0.109 0.000 1.213 201 E HN 0.741 nan 8.360 nan 0.000 0.432 202 N N 1.254 119.969 118.700 0.026 0.000 2.400 202 N HA 0.022 4.762 4.740 -0.000 0.000 0.267 202 N C 1.161 176.681 175.510 0.017 0.000 1.208 202 N CA 0.001 53.065 53.050 0.022 0.000 0.951 202 N CB 0.491 38.984 38.487 0.010 0.000 1.227 202 N HN 0.678 nan 8.380 nan 0.000 0.488 203 G N 2.909 111.719 108.800 0.016 0.000 2.442 203 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 203 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 203 G C 0.996 175.922 174.900 0.043 0.000 1.141 203 G CA 0.728 45.834 45.100 0.011 0.000 0.763 203 G HN 0.578 nan 8.290 nan 0.000 0.554 204 D N 0.213 120.643 120.400 0.051 0.000 2.117 204 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 204 D C 2.631 178.992 176.300 0.102 0.000 0.987 204 D CA 0.817 54.861 54.000 0.073 0.000 0.829 204 D CB -0.181 40.651 40.800 0.054 0.000 0.961 204 D HN 0.296 nan 8.370 nan 0.000 0.460 205 M N -0.199 119.440 119.600 0.064 0.000 2.132 205 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 205 M C 2.167 178.539 176.300 0.120 0.000 1.065 205 M CA 0.784 56.124 55.300 0.067 0.000 1.122 205 M CB -0.108 32.497 32.600 0.008 0.000 1.365 205 M HN -0.065 nan 8.290 nan 0.000 0.411 206 V N 0.665 120.628 119.914 0.081 0.000 2.255 206 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 206 V C 2.354 178.521 176.094 0.121 0.000 1.051 206 V CA 1.983 64.332 62.300 0.081 0.000 1.018 206 V CB -0.796 31.055 31.823 0.047 0.000 0.641 206 V HN 0.461 nan 8.190 nan 0.000 0.445 207 K N -1.363 119.105 120.400 0.114 0.000 2.020 207 K HA -0.293 4.027 4.320 -0.000 0.000 0.212 207 K C 2.048 178.723 176.600 0.125 0.000 1.050 207 K CA 2.477 58.824 56.287 0.099 0.000 0.929 207 K CB -0.354 32.198 32.500 0.087 0.000 0.714 207 K HN 0.571 nan 8.250 nan 0.000 0.443 208 W N 0.719 122.023 121.300 0.006 0.000 2.355 208 W HA -0.252 4.408 4.660 -0.000 0.000 0.309 208 W C 2.205 178.731 176.519 0.012 0.000 1.206 208 W CA 1.600 58.948 57.345 0.005 0.000 1.284 208 W CB -0.191 29.271 29.460 0.002 0.000 1.145 208 W HN 0.131 nan 8.180 nan 0.000 0.502 209 M N 0.320 120.199 119.600 0.465 0.000 2.159 209 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 209 M C 1.789 178.178 176.300 0.149 0.000 1.063 209 M CA 1.720 57.221 55.300 0.335 0.000 1.110 209 M CB -0.884 31.867 32.600 0.252 0.000 1.374 209 M HN 0.114 nan 8.290 nan 0.000 0.411 210 I N -0.504 120.147 120.570 0.135 0.000 2.226 210 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 210 I C 2.010 178.116 176.117 -0.018 0.000 1.100 210 I CA 1.420 62.813 61.300 0.155 0.000 1.374 210 I CB -0.526 37.548 38.000 0.123 0.000 1.057 210 I HN 0.348 nan 8.210 nan 0.000 0.413 211 E N 0.945 121.068 120.200 -0.128 0.000 2.110 211 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 211 E C 2.329 178.754 176.600 -0.292 0.000 0.988 211 E CA 1.262 57.519 56.400 -0.238 0.000 0.804 211 E CB -0.192 29.319 29.700 -0.314 0.000 0.745 211 E HN 0.518 nan 8.360 nan 0.000 0.458 212 A N 1.072 123.671 122.820 -0.369 0.000 1.930 212 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 212 A C 2.170 179.681 177.584 -0.123 0.000 1.175 212 A CA 0.959 52.798 52.037 -0.330 0.000 0.627 212 A CB -0.504 18.288 19.000 -0.346 0.000 0.815 212 A HN 0.113 nan 8.150 nan 0.000 0.443 213 L N -0.890 120.311 121.223 -0.037 0.000 2.027 213 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 213 L C 2.592 179.428 176.870 -0.056 0.000 1.074 213 L CA 1.574 56.411 54.840 -0.004 0.000 0.745 213 L CB -0.582 41.555 42.059 0.130 0.000 0.898 213 L HN 0.439 nan 8.230 nan 0.000 0.433 214 E N -0.324 119.835 120.200 -0.068 0.000 2.110 214 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 214 E C 2.128 178.662 176.600 -0.110 0.000 0.988 214 E CA 0.818 57.148 56.400 -0.118 0.000 0.804 214 E CB -0.029 29.566 29.700 -0.175 0.000 0.745 214 E HN 0.308 nan 8.360 nan 0.000 0.458 215 E N 0.874 121.002 120.200 -0.119 0.000 2.160 215 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 215 E C 1.533 178.084 176.600 -0.081 0.000 0.991 215 E CA 1.279 57.614 56.400 -0.107 0.000 0.810 215 E CB 0.073 29.692 29.700 -0.134 0.000 0.742 215 E HN 0.374 nan 8.360 nan 0.000 0.466 216 Q N -1.426 118.326 119.800 -0.081 0.000 2.360 216 Q HA 0.139 4.479 4.340 -0.000 0.000 0.202 216 Q C 0.814 176.765 176.000 -0.080 0.000 0.915 216 Q CA 0.403 56.165 55.803 -0.068 0.000 0.943 216 Q CB 0.684 29.386 28.738 -0.060 0.000 1.064 216 Q HN 0.375 nan 8.270 nan 0.000 0.511 217 G N 1.271 110.018 108.800 -0.088 0.000 2.160 217 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.251 217 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.251 217 G C 0.037 174.860 174.900 -0.128 0.000 1.008 217 G CA -0.129 44.922 45.100 -0.082 0.000 0.724 217 G HN 0.330 nan 8.290 nan 0.000 0.514 218 L N 1.845 122.930 121.223 -0.230 0.000 2.422 218 L HA 0.342 4.682 4.340 -0.000 0.000 0.256 218 L C 1.753 178.456 176.870 -0.279 0.000 1.202 218 L CA 0.448 54.944 54.840 -0.573 0.000 1.119 218 L CB 0.140 41.622 42.059 -0.962 0.000 1.383 218 L HN 0.398 nan 8.230 nan 0.000 0.411 219 T N -4.711 109.842 114.554 -0.001 0.000 3.010 219 T HA 0.109 4.458 4.350 -0.000 0.000 0.257 219 T C 0.555 175.524 174.700 0.448 0.000 1.020 219 T CA -0.456 61.780 62.100 0.227 0.000 0.938 219 T CB 0.126 69.004 68.868 0.017 0.000 1.049 219 T HN 0.211 nan 8.240 nan 0.000 0.522 220 D N 1.669 122.342 120.400 0.455 0.000 2.378 220 D HA 0.517 5.157 4.640 -0.000 0.000 0.238 220 D C 1.581 178.156 176.300 0.457 0.000 1.180 220 D CA 0.601 54.871 54.000 0.449 0.000 0.895 220 D CB 0.668 41.714 40.800 0.409 0.000 1.192 220 D HN 0.233 nan 8.370 nan 0.000 0.438 221 A N 1.675 124.664 122.820 0.281 0.000 1.958 221 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 221 A C 2.012 179.645 177.584 0.081 0.000 1.178 221 A CA 1.670 53.791 52.037 0.141 0.000 0.642 221 A CB -1.193 17.790 19.000 -0.028 0.000 0.816 221 A HN 0.762 nan 8.150 nan 0.000 0.453 222 Y N -0.957 119.313 120.300 -0.050 0.000 2.274 222 Y HA -0.239 4.311 4.550 -0.000 0.000 0.290 222 Y C 1.777 177.476 175.900 -0.336 0.000 1.145 222 Y CA 1.776 59.752 58.100 -0.207 0.000 1.203 222 Y CB -0.421 37.863 38.460 -0.294 0.000 0.984 222 Y HN 0.409 nan 8.280 nan 0.000 0.533 223 Y N -1.142 119.002 120.300 -0.260 0.000 2.632 223 Y HA -0.107 4.443 4.550 -0.000 0.000 0.301 223 Y C 2.361 177.640 175.900 -1.035 0.000 1.172 223 Y CA 1.133 58.913 58.100 -0.533 0.000 1.328 223 Y CB -0.553 37.759 38.460 -0.247 0.000 1.016 223 Y HN 0.352 nan 8.280 nan 0.000 0.529 224 H N -0.481 118.021 119.070 -0.945 0.000 2.353 224 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 224 H C 2.410 177.459 175.328 -0.466 0.000 1.090 224 H CA 1.751 57.320 56.048 -0.798 0.000 1.327 224 H CB -0.458 29.101 29.762 -0.337 0.000 1.383 224 H HN 0.272 nan 8.280 nan 0.000 0.508 225 G N -0.009 108.489 108.800 -0.503 0.000 2.421 225 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 225 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 225 G C 1.816 176.458 174.900 -0.430 0.000 1.171 225 G CA 1.237 46.064 45.100 -0.456 0.000 0.775 225 G HN 0.389 nan 8.290 nan 0.000 0.543 226 V N 2.079 121.702 119.914 -0.485 0.000 2.469 226 V HA -0.211 3.909 4.120 -0.000 0.000 0.251 226 V C 3.169 179.151 176.094 -0.185 0.000 1.064 226 V CA 2.250 64.374 62.300 -0.294 0.000 1.066 226 V CB -0.652 31.048 31.823 -0.205 0.000 0.667 226 V HN 0.613 nan 8.190 nan 0.000 0.461 227 S N 1.362 116.907 115.700 -0.258 0.000 2.474 227 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 227 S C 1.139 175.674 174.600 -0.109 0.000 0.997 227 S CA 0.650 58.770 58.200 -0.133 0.000 0.949 227 S CB -0.214 62.917 63.200 -0.114 0.000 0.766 227 S HN 0.837 nan 8.310 nan 0.000 0.517 228 R N 0.264 120.650 120.500 -0.190 0.000 2.684 228 R HA 0.383 4.723 4.340 -0.000 0.000 0.252 228 R C -3.347 172.864 176.300 -0.149 0.000 1.628 228 R CA -1.482 54.529 56.100 -0.150 0.000 1.622 228 R CB -0.104 30.093 30.300 -0.172 0.000 1.418 228 R HN 0.190 nan 8.270 nan 0.000 0.697 229 P HA 0.033 nan 4.420 nan 0.000 0.270 229 P C 0.554 177.798 177.300 -0.094 0.000 1.227 229 P CA -0.067 62.971 63.100 -0.104 0.000 0.788 229 P CB 1.034 32.690 31.700 -0.075 0.000 0.926 230 S N 0.627 116.272 115.700 -0.092 0.000 2.402 230 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 230 S C 1.778 176.331 174.600 -0.079 0.000 1.030 230 S CA 0.860 59.005 58.200 -0.092 0.000 1.003 230 S CB -0.867 62.284 63.200 -0.082 0.000 0.813 230 S HN 0.512 nan 8.310 nan 0.000 0.477 231 I N 0.937 121.467 120.570 -0.066 0.000 2.454 231 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 231 I C 1.716 177.798 176.117 -0.057 0.000 1.156 231 I CA 0.919 62.184 61.300 -0.059 0.000 1.433 231 I CB 0.025 37.995 38.000 -0.050 0.000 1.082 231 I HN 0.138 nan 8.210 nan 0.000 0.432 232 V N 0.472 120.352 119.914 -0.057 0.000 2.379 232 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 232 V C 2.345 178.413 176.094 -0.044 0.000 1.044 232 V CA 2.065 64.338 62.300 -0.045 0.000 1.036 232 V CB -0.618 31.180 31.823 -0.040 0.000 0.664 232 V HN 0.482 nan 8.190 nan 0.000 0.453 233 E N 0.443 120.606 120.200 -0.061 0.000 2.110 233 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 233 E C 2.250 178.795 176.600 -0.093 0.000 0.988 233 E CA 1.277 57.635 56.400 -0.071 0.000 0.804 233 E CB -0.371 29.267 29.700 -0.104 0.000 0.745 233 E HN 0.574 nan 8.360 nan 0.000 0.458 234 G N 1.328 110.072 108.800 -0.092 0.000 2.421 234 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.216 234 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.216 234 G C 1.519 176.368 174.900 -0.085 0.000 1.171 234 G CA 0.797 45.837 45.100 -0.099 0.000 0.775 234 G HN 0.240 nan 8.290 nan 0.000 0.543 235 E N 1.268 121.433 120.200 -0.059 0.000 2.058 235 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 235 E C 2.807 179.392 176.600 -0.025 0.000 0.997 235 E CA 1.367 57.743 56.400 -0.040 0.000 0.801 235 E CB -0.479 29.203 29.700 -0.031 0.000 0.746 235 E HN 0.274 nan 8.360 nan 0.000 0.450 236 A N 0.240 123.051 122.820 -0.016 0.000 1.898 236 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 236 A C 2.483 180.086 177.584 0.032 0.000 1.181 236 A CA 2.170 54.222 52.037 0.027 0.000 0.620 236 A CB -1.009 18.023 19.000 0.054 0.000 0.819 236 A HN 0.370 nan 8.150 nan 0.000 0.442 237 T N 0.388 114.895 114.554 -0.080 0.000 2.684 237 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 237 T C 1.905 176.517 174.700 -0.146 0.000 1.036 237 T CA 1.777 63.705 62.100 -0.287 0.000 1.148 237 T CB -0.521 67.995 68.868 -0.586 0.000 0.863 237 T HN 0.699 nan 8.240 nan 0.000 0.436 238 N N 0.929 119.571 118.700 -0.097 0.000 2.069 238 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 238 N C 1.947 177.471 175.510 0.023 0.000 1.031 238 N CA 1.467 54.493 53.050 -0.040 0.000 0.852 238 N CB -0.171 38.291 38.487 -0.042 0.000 1.018 238 N HN 0.343 nan 8.380 nan 0.000 0.423 239 R N -0.131 120.391 120.500 0.037 0.000 2.073 239 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 239 R C 2.058 178.421 176.300 0.104 0.000 1.134 239 R CA 1.550 57.686 56.100 0.061 0.000 0.952 239 R CB -0.524 29.810 30.300 0.057 0.000 0.850 239 R HN 0.306 nan 8.270 nan 0.000 0.433 240 A N 0.998 123.919 122.820 0.168 0.000 1.908 240 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 240 A C 2.194 179.919 177.584 0.234 0.000 1.181 240 A CA 1.635 53.817 52.037 0.241 0.000 0.627 240 A CB -0.569 18.709 19.000 0.463 0.000 0.818 240 A HN 0.408 nan 8.150 nan 0.000 0.445 241 I N -0.576 120.159 120.570 0.275 0.000 2.179 241 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 241 I C 2.625 178.796 176.117 0.090 0.000 1.088 241 I CA 1.793 63.206 61.300 0.188 0.000 1.357 241 I CB -0.813 37.269 38.000 0.136 0.000 1.051 241 I HN 0.266 nan 8.210 nan 0.000 0.409 242 T N 1.661 116.259 114.554 0.073 0.000 2.665 242 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 242 T C 1.928 176.663 174.700 0.059 0.000 1.035 242 T CA 1.483 63.615 62.100 0.053 0.000 1.151 242 T CB -0.449 68.445 68.868 0.044 0.000 0.862 242 T HN 0.243 nan 8.240 nan 0.000 0.438 243 L N 0.729 121.993 121.223 0.070 0.000 2.017 243 L HA -0.099 4.240 4.340 -0.000 0.000 0.208 243 L C 3.100 180.011 176.870 0.068 0.000 1.073 243 L CA 1.290 56.172 54.840 0.069 0.000 0.745 243 L CB -0.783 41.319 42.059 0.072 0.000 0.894 243 L HN 0.243 nan 8.230 nan 0.000 0.432 244 A N -0.220 122.630 122.820 0.050 0.000 1.908 244 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 244 A C 2.382 179.963 177.584 -0.004 0.000 1.181 244 A CA 2.482 54.528 52.037 0.015 0.000 0.627 244 A CB -0.973 18.018 19.000 -0.016 0.000 0.818 244 A HN 0.425 nan 8.150 nan 0.000 0.445 245 T N -0.554 114.004 114.554 0.006 0.000 2.701 245 T HA -0.115 4.235 4.350 -0.000 0.000 0.263 245 T C 2.021 176.741 174.700 0.033 0.000 1.040 245 T CA 1.870 63.961 62.100 -0.016 0.000 1.147 245 T CB -0.662 68.208 68.868 0.002 0.000 0.865 245 T HN 0.509 nan 8.240 nan 0.000 0.426 246 T N 2.115 116.731 114.554 0.104 0.000 2.759 246 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 246 T C 1.578 176.514 174.700 0.394 0.000 1.042 246 T CA 0.975 63.203 62.100 0.213 0.000 1.140 246 T CB -0.190 68.759 68.868 0.135 0.000 0.864 246 T HN 0.198 nan 8.240 nan 0.000 0.455 247 M N 0.776 120.544 119.600 0.279 0.000 2.428 247 M HA 0.196 4.676 4.480 -0.000 0.000 0.239 247 M C 0.545 176.923 176.300 0.129 0.000 1.121 247 M CA 0.081 55.626 55.300 0.408 0.000 1.019 247 M CB -0.843 31.926 32.600 0.281 0.000 1.485 247 M HN 0.131 nan 8.290 nan 0.000 0.484 248 D N 2.536 122.784 120.400 -0.254 0.000 2.692 248 D HA -0.143 4.497 4.640 -0.000 0.000 0.233 248 D C -0.964 175.174 176.300 -0.271 0.000 1.172 248 D CA 0.795 54.453 54.000 -0.569 0.000 0.636 248 D CB -0.532 39.359 40.800 -1.515 0.000 1.028 248 D HN 0.258 nan 8.370 nan 0.000 0.419 249 T N 1.436 115.920 114.554 -0.116 0.000 2.792 249 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 249 T C -2.382 172.274 174.700 -0.072 0.000 0.990 249 T CA -1.375 60.694 62.100 -0.051 0.000 0.960 249 T CB 2.003 70.881 68.868 0.015 0.000 0.939 249 T HN -0.048 nan 8.240 nan 0.000 0.439 250 P HA 0.308 nan 4.420 nan 0.000 0.266 250 P C -0.713 176.552 177.300 -0.058 0.000 1.195 250 P CA -0.267 62.795 63.100 -0.063 0.000 0.768 250 P CB 0.572 32.290 31.700 0.031 0.000 0.838 251 I N 2.911 123.406 120.570 -0.125 0.000 2.656 251 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 251 I C -1.561 174.437 176.117 -0.199 0.000 1.144 251 I CA -1.240 59.942 61.300 -0.196 0.000 1.038 251 I CB 1.737 39.546 38.000 -0.317 0.000 1.244 251 I HN 0.170 nan 8.210 nan 0.000 0.420 252 L N 7.184 128.294 121.223 -0.188 0.000 2.322 252 L HA 0.574 4.914 4.340 -0.000 0.000 0.281 252 L C -1.526 175.186 176.870 -0.263 0.000 1.014 252 L CA -0.301 54.487 54.840 -0.086 0.000 0.815 252 L CB 1.375 43.455 42.059 0.036 0.000 1.247 252 L HN 0.440 nan 8.230 nan 0.000 0.421 253 F N 4.996 124.984 119.950 0.063 0.000 2.410 253 F HA 0.443 4.969 4.527 -0.000 0.000 0.349 253 F C 0.429 176.223 175.800 -0.009 0.000 1.117 253 F CA -0.635 57.377 58.000 0.019 0.000 1.104 253 F CB 1.559 40.576 39.000 0.028 0.000 1.122 253 F HN 0.277 nan 8.300 nan 0.000 0.483 254 V N 0.965 120.899 119.914 0.034 0.000 2.863 254 V HA 0.364 4.484 4.120 -0.000 0.000 0.307 254 V C -0.162 175.736 176.094 -0.327 0.000 1.061 254 V CA -1.068 61.137 62.300 -0.159 0.000 1.024 254 V CB 0.861 32.554 31.823 -0.217 0.000 1.049 254 V HN 0.959 nan 8.190 nan 0.000 0.471 255 H N 0.255 119.315 119.070 -0.017 0.000 2.111 255 H HA -0.118 4.438 4.556 -0.000 0.000 0.315 255 H C -0.492 174.747 175.328 -0.148 0.000 0.885 255 H CA 0.359 56.392 56.048 -0.025 0.000 1.042 255 H CB -2.628 27.153 29.762 0.032 0.000 1.589 255 H HN 0.669 nan 8.280 nan 0.000 0.316 256 V N 1.648 121.531 119.914 -0.052 0.000 2.530 256 V HA 0.340 4.460 4.120 -0.000 0.000 0.282 256 V C 1.263 177.130 176.094 -0.378 0.000 1.048 256 V CA 0.472 62.679 62.300 -0.154 0.000 0.997 256 V CB 1.512 33.341 31.823 0.010 0.000 0.987 256 V HN 0.941 nan 8.190 nan 0.000 0.477 257 S N 1.259 116.694 115.700 -0.442 0.000 2.744 257 S HA 0.153 4.623 4.470 -0.000 0.000 0.265 257 S C 0.542 174.972 174.600 -0.282 0.000 1.065 257 S CA 0.191 58.042 58.200 -0.581 0.000 1.191 257 S CB 0.484 62.960 63.200 -1.206 0.000 1.150 257 S HN 0.663 nan 8.310 nan 0.000 0.646 258 S N 2.340 117.929 115.700 -0.185 0.000 2.462 258 S HA 0.585 5.055 4.470 -0.000 0.000 0.294 258 S C -1.986 172.583 174.600 -0.052 0.000 1.144 258 S CA -1.520 56.611 58.200 -0.116 0.000 1.088 258 S CB 1.296 64.422 63.200 -0.123 0.000 1.009 258 S HN 0.017 nan 8.310 nan 0.000 0.484 259 P HA -0.100 nan 4.420 nan 0.000 0.215 259 P C 1.092 178.370 177.300 -0.037 0.000 1.153 259 P CA 1.189 64.279 63.100 -0.016 0.000 0.853 259 P CB 0.101 31.792 31.700 -0.015 0.000 0.788 260 Q N -0.547 119.221 119.800 -0.053 0.000 2.124 260 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 260 Q C 2.245 178.192 176.000 -0.088 0.000 0.977 260 Q CA 1.991 57.755 55.803 -0.065 0.000 0.850 260 Q CB -1.129 27.570 28.738 -0.065 0.000 0.901 260 Q HN 0.204 nan 8.270 nan 0.000 0.429 261 A N 0.377 123.135 122.820 -0.103 0.000 1.897 261 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 261 A C 2.241 179.745 177.584 -0.133 0.000 1.181 261 A CA 1.300 53.243 52.037 -0.156 0.000 0.620 261 A CB -0.840 18.055 19.000 -0.176 0.000 0.821 261 A HN 0.364 nan 8.150 nan 0.000 0.443 262 A N -0.000 122.785 122.820 -0.058 0.000 1.933 262 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 262 A C 1.880 179.399 177.584 -0.108 0.000 1.175 262 A CA 1.703 53.703 52.037 -0.063 0.000 0.628 262 A CB -0.488 18.506 19.000 -0.009 0.000 0.814 262 A HN 0.634 nan 8.150 nan 0.000 0.444 263 E N -0.257 119.891 120.200 -0.085 0.000 2.017 263 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 263 E C 2.149 178.697 176.600 -0.086 0.000 0.997 263 E CA 1.923 58.276 56.400 -0.079 0.000 0.804 263 E CB -0.475 29.188 29.700 -0.061 0.000 0.757 263 E HN 0.614 nan 8.360 nan 0.000 0.448 264 V N -0.308 119.549 119.914 -0.095 0.000 2.490 264 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 264 V C 2.109 178.143 176.094 -0.100 0.000 1.061 264 V CA 1.517 63.760 62.300 -0.095 0.000 1.064 264 V CB -0.700 31.061 31.823 -0.104 0.000 0.670 264 V HN 0.200 nan 8.190 nan 0.000 0.461 265 I N 0.370 120.863 120.570 -0.128 0.000 2.179 265 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 265 I C 2.664 178.730 176.117 -0.085 0.000 1.088 265 I CA 2.136 63.376 61.300 -0.100 0.000 1.357 265 I CB -0.425 37.516 38.000 -0.099 0.000 1.051 265 I HN 0.329 nan 8.210 nan 0.000 0.409 266 K N 1.280 121.615 120.400 -0.107 0.000 2.057 266 K HA -0.214 4.105 4.320 -0.000 0.000 0.207 266 K C 2.043 178.598 176.600 -0.075 0.000 1.049 266 K CA 1.705 57.931 56.287 -0.101 0.000 0.931 266 K CB -0.294 32.140 32.500 -0.111 0.000 0.714 266 K HN 0.337 nan 8.250 nan 0.000 0.440 267 Q N -0.477 119.283 119.800 -0.067 0.000 2.096 267 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 267 Q C 2.132 178.102 176.000 -0.050 0.000 0.982 267 Q CA 1.742 57.513 55.803 -0.053 0.000 0.850 267 Q CB -0.309 28.400 28.738 -0.047 0.000 0.901 267 Q HN 0.454 nan 8.270 nan 0.000 0.422 268 A N 1.047 123.836 122.820 -0.052 0.000 1.902 268 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 268 A C 2.005 179.549 177.584 -0.068 0.000 1.181 268 A CA 1.486 53.493 52.037 -0.051 0.000 0.623 268 A CB -0.480 18.499 19.000 -0.036 0.000 0.818 268 A HN 0.348 nan 8.150 nan 0.000 0.443 269 Q N -0.879 118.877 119.800 -0.074 0.000 2.084 269 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 269 Q C 2.161 178.124 176.000 -0.062 0.000 0.978 269 Q CA 1.934 57.688 55.803 -0.081 0.000 0.844 269 Q CB -0.494 28.198 28.738 -0.077 0.000 0.898 269 Q HN 0.653 nan 8.270 nan 0.000 0.426 270 T N 1.133 115.654 114.554 -0.055 0.000 2.759 270 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 270 T C 1.535 176.211 174.700 -0.040 0.000 1.042 270 T CA 1.218 63.291 62.100 -0.044 0.000 1.140 270 T CB -0.085 68.758 68.868 -0.041 0.000 0.864 270 T HN 0.201 nan 8.240 nan 0.000 0.455 271 K N 0.035 120.409 120.400 -0.044 0.000 2.365 271 K HA 0.111 4.431 4.320 -0.000 0.000 0.199 271 K C 1.553 178.125 176.600 -0.048 0.000 1.045 271 K CA 0.576 56.838 56.287 -0.041 0.000 0.962 271 K CB 0.004 32.480 32.500 -0.041 0.000 0.759 271 K HN 0.448 nan 8.250 nan 0.000 0.469 272 G N 0.866 109.632 108.800 -0.057 0.000 2.157 272 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 272 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 272 G C 0.003 174.850 174.900 -0.088 0.000 0.982 272 G CA -0.294 44.768 45.100 -0.062 0.000 0.650 272 G HN 0.109 nan 8.290 nan 0.000 0.527 273 L N 0.290 121.452 121.223 -0.103 0.000 2.439 273 L HA 0.312 4.652 4.340 -0.000 0.000 0.269 273 L C 1.083 177.830 176.870 -0.204 0.000 1.179 273 L CA -0.129 54.631 54.840 -0.134 0.000 0.828 273 L CB 0.495 42.487 42.059 -0.111 0.000 1.106 273 L HN 0.003 nan 8.230 nan 0.000 0.467 274 K N 2.598 122.849 120.400 -0.248 0.000 2.111 274 K HA 0.281 4.601 4.320 -0.000 0.000 0.249 274 K C -1.111 175.132 176.600 -0.595 0.000 1.157 274 K CA -0.149 55.872 56.287 -0.443 0.000 1.048 274 K CB 0.257 32.594 32.500 -0.272 0.000 1.498 274 K HN 0.263 nan 8.250 nan 0.000 0.344 275 V N 3.906 123.453 119.914 -0.612 0.000 2.444 275 V HA 0.329 4.449 4.120 -0.000 0.000 0.294 275 V C -0.776 175.036 176.094 -0.468 0.000 1.022 275 V CA -0.887 61.177 62.300 -0.394 0.000 0.850 275 V CB 0.580 32.360 31.823 -0.072 0.000 0.992 275 V HN 0.459 nan 8.190 nan 0.000 0.426 276 Y N 2.455 122.773 120.300 0.029 0.000 2.528 276 Y HA 0.860 5.410 4.550 -0.000 0.000 0.335 276 Y C 0.389 176.375 175.900 0.143 0.000 1.093 276 Y CA -0.882 57.236 58.100 0.032 0.000 1.134 276 Y CB 2.163 40.585 38.460 -0.063 0.000 1.253 276 Y HN 0.687 nan 8.280 nan 0.000 0.478 277 A N 1.304 124.331 122.820 0.345 0.000 2.549 277 A HA 0.572 4.892 4.320 -0.000 0.000 0.297 277 A C -1.599 176.183 177.584 0.331 0.000 1.061 277 A CA -0.770 51.496 52.037 0.380 0.000 0.690 277 A CB 1.949 21.235 19.000 0.477 0.000 1.287 277 A HN 0.721 nan 8.150 nan 0.000 0.402 278 E N 1.013 121.351 120.200 0.229 0.000 2.187 278 E HA 0.612 4.962 4.350 -0.000 0.000 0.268 278 E C -0.927 175.628 176.600 -0.074 0.000 0.896 278 E CA -0.247 56.220 56.400 0.112 0.000 0.766 278 E CB 1.866 31.643 29.700 0.128 0.000 1.142 278 E HN 0.619 nan 8.360 nan 0.000 0.408 279 T N 1.903 116.312 114.554 -0.242 0.000 2.883 279 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 279 T C -1.101 173.527 174.700 -0.120 0.000 1.041 279 T CA -0.343 61.545 62.100 -0.352 0.000 1.007 279 T CB 0.922 69.202 68.868 -0.980 0.000 1.220 279 T HN 0.634 nan 8.240 nan 0.000 0.552 280 C N 2.453 121.728 119.300 -0.041 0.000 2.634 280 C HA 0.488 4.948 4.460 -0.000 0.000 0.313 280 C C -1.420 173.453 174.990 -0.194 0.000 1.198 280 C CA -1.219 57.737 59.018 -0.103 0.000 1.605 280 C CB 1.622 29.258 27.740 -0.174 0.000 2.196 280 C HN 0.669 nan 8.230 nan 0.000 0.486 281 P HA -0.229 nan 4.420 nan 0.000 0.215 281 P C 1.756 178.959 177.300 -0.161 0.000 1.157 281 P CA 1.663 64.655 63.100 -0.181 0.000 0.874 281 P CB -0.026 31.606 31.700 -0.114 0.000 0.790 282 Q N -1.217 118.510 119.800 -0.121 0.000 2.248 282 Q HA -0.222 4.118 4.340 -0.000 0.000 0.208 282 Q C 1.413 177.314 176.000 -0.166 0.000 0.984 282 Q CA 1.812 57.560 55.803 -0.092 0.000 0.875 282 Q CB -1.486 27.142 28.738 -0.184 0.000 0.910 282 Q HN 0.321 nan 8.270 nan 0.000 0.433 283 Y N 0.640 120.887 120.300 -0.088 0.000 2.516 283 Y HA 0.233 4.783 4.550 -0.000 0.000 0.291 283 Y C 2.440 178.224 175.900 -0.194 0.000 1.131 283 Y CA 0.427 58.446 58.100 -0.135 0.000 1.281 283 Y CB -0.332 38.023 38.460 -0.175 0.000 1.013 283 Y HN 0.303 nan 8.280 nan 0.000 0.554 284 A N -1.193 121.514 122.820 -0.187 0.000 2.115 284 A HA 0.212 4.532 4.320 -0.000 0.000 0.211 284 A C 1.803 179.320 177.584 -0.112 0.000 1.169 284 A CA 0.535 52.323 52.037 -0.414 0.000 0.787 284 A CB -0.301 17.994 19.000 -1.176 0.000 0.858 284 A HN 0.396 nan 8.150 nan 0.000 0.474 285 L N -1.135 120.065 121.223 -0.038 0.000 2.609 285 L HA 0.363 4.703 4.340 -0.000 0.000 0.230 285 L C -0.079 176.833 176.870 0.070 0.000 1.064 285 L CA 0.148 55.012 54.840 0.041 0.000 0.873 285 L CB 0.175 42.207 42.059 -0.044 0.000 1.139 285 L HN 0.150 nan 8.230 nan 0.000 0.490 286 L N -0.285 120.978 121.223 0.068 0.000 2.334 286 L HA 0.483 4.823 4.340 -0.000 0.000 0.273 286 L C -0.049 176.844 176.870 0.038 0.000 1.013 286 L CA -0.411 54.454 54.840 0.041 0.000 0.816 286 L CB 2.056 44.121 42.059 0.010 0.000 1.278 286 L HN 0.011 nan 8.230 nan 0.000 0.431 287 S N -1.824 113.887 115.700 0.019 0.000 2.638 287 S HA 0.279 4.749 4.470 -0.000 0.000 0.302 287 S C 0.206 174.808 174.600 0.003 0.000 1.096 287 S CA -0.638 57.580 58.200 0.030 0.000 0.953 287 S CB 1.742 64.972 63.200 0.050 0.000 1.107 287 S HN 0.732 nan 8.310 nan 0.000 0.503 288 D N 1.007 121.422 120.400 0.025 0.000 2.384 288 D HA -0.032 4.608 4.640 -0.000 0.000 0.222 288 D C 1.647 177.992 176.300 0.074 0.000 0.976 288 D CA 1.069 55.088 54.000 0.032 0.000 0.915 288 D CB -0.573 40.241 40.800 0.023 0.000 0.896 288 D HN 0.634 nan 8.370 nan 0.000 0.523 289 A N 0.406 123.267 122.820 0.068 0.000 2.019 289 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 289 A C 2.140 179.698 177.584 -0.044 0.000 1.164 289 A CA 0.891 52.986 52.037 0.095 0.000 0.644 289 A CB -0.795 18.312 19.000 0.179 0.000 0.805 289 A HN 0.307 nan 8.150 nan 0.000 0.449 290 I N 0.556 120.992 120.570 -0.222 0.000 2.916 290 I HA -0.136 4.034 4.170 -0.000 0.000 0.267 290 I C 2.281 178.092 176.117 -0.510 0.000 1.263 290 I CA 1.889 62.826 61.300 -0.605 0.000 1.471 290 I CB -0.085 37.469 38.000 -0.742 0.000 1.089 290 I HN 0.464 nan 8.210 nan 0.000 0.468 291 T N -1.740 112.695 114.554 -0.198 0.000 3.129 291 T HA 0.175 4.525 4.350 -0.000 0.000 0.251 291 T C 0.724 175.414 174.700 -0.017 0.000 1.117 291 T CA -0.152 61.923 62.100 -0.041 0.000 1.034 291 T CB -0.155 68.748 68.868 0.059 0.000 0.968 291 T HN 0.496 nan 8.240 nan 0.000 0.526 292 R N -0.945 119.502 120.500 -0.089 0.000 2.829 292 R HA 0.759 5.099 4.340 -0.000 0.000 0.267 292 R C -1.273 175.002 176.300 -0.042 0.000 1.051 292 R CA -0.689 55.361 56.100 -0.082 0.000 0.927 292 R CB 0.718 30.934 30.300 -0.140 0.000 1.292 292 R HN 0.302 nan 8.270 nan 0.000 0.445 304 V N 2.220 122.167 119.914 0.055 0.000 2.379 304 V HA 0.428 4.548 4.120 -0.000 0.000 0.245 304 V C 1.373 177.657 176.094 0.316 0.000 1.044 304 V CA 2.664 65.027 62.300 0.106 0.000 1.036 304 V CB -0.276 31.627 31.823 0.133 0.000 0.664 304 V HN 1.204 nan 8.190 nan 0.000 0.453 305 G N -1.302 107.649 108.800 0.252 0.000 2.630 305 G HA2 0.579 4.538 3.960 -0.000 0.000 0.296 305 G HA3 0.579 4.538 3.960 -0.000 0.000 0.296 305 G C -1.033 173.971 174.900 0.172 0.000 1.285 305 G CA -0.978 44.256 45.100 0.224 0.000 0.958 305 G HN 0.216 nan 8.290 nan 0.000 0.479 306 I N 0.689 121.285 120.570 0.045 0.000 2.556 306 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 306 I C 0.101 176.290 176.117 0.121 0.000 1.114 306 I CA -0.156 61.169 61.300 0.041 0.000 1.418 306 I CB 1.045 39.029 38.000 -0.027 0.000 1.394 306 I HN 0.411 nan 8.210 nan 0.000 0.552 307 D N 6.616 127.110 120.400 0.156 0.000 2.356 307 D HA -0.004 4.636 4.640 -0.000 0.000 0.272 307 D C 1.050 177.431 176.300 0.135 0.000 1.337 307 D CA 0.286 54.364 54.000 0.131 0.000 0.970 307 D CB 0.599 41.475 40.800 0.127 0.000 1.092 307 D HN 0.413 nan 8.370 nan 0.000 0.516 308 L N 2.819 124.127 121.223 0.142 0.000 2.191 308 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 308 L C 2.323 179.356 176.870 0.272 0.000 1.103 308 L CA 1.222 56.178 54.840 0.192 0.000 0.769 308 L CB -0.544 41.685 42.059 0.284 0.000 0.908 308 L HN 0.481 nan 8.230 nan 0.000 0.438 309 S N -1.361 114.459 115.700 0.201 0.000 2.515 309 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 309 S C 1.925 176.616 174.600 0.151 0.000 0.987 309 S CA 0.711 59.015 58.200 0.175 0.000 0.936 309 S CB -0.216 63.002 63.200 0.030 0.000 0.766 309 S HN 0.513 nan 8.310 nan 0.000 0.528 310 S N 0.823 116.608 115.700 0.142 0.000 2.528 310 S HA 0.323 4.793 4.470 -0.000 0.000 0.219 310 S C 0.559 175.242 174.600 0.139 0.000 0.985 310 S CA -0.564 57.714 58.200 0.129 0.000 0.914 310 S CB -0.711 62.566 63.200 0.129 0.000 0.776 310 S HN 0.545 nan 8.310 nan 0.000 0.526 311 I N 3.725 124.383 120.570 0.146 0.000 2.556 311 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 311 I C 0.667 176.862 176.117 0.130 0.000 1.114 311 I CA -0.329 61.054 61.300 0.138 0.000 1.418 311 I CB 0.879 38.936 38.000 0.094 0.000 1.394 311 I HN 0.292 nan 8.210 nan 0.000 0.552 312 S N 5.014 120.794 115.700 0.133 0.000 2.654 312 S HA 0.339 4.809 4.470 -0.000 0.000 0.283 312 S C 0.066 174.744 174.600 0.130 0.000 1.180 312 S CA -0.583 57.690 58.200 0.122 0.000 1.021 312 S CB 1.649 64.913 63.200 0.106 0.000 1.018 312 S HN 0.669 nan 8.310 nan 0.000 0.532 313 E N -0.279 119.993 120.200 0.121 0.000 2.271 313 E HA -0.155 4.195 4.350 -0.000 0.000 0.223 313 E C -0.123 176.521 176.600 0.073 0.000 1.223 313 E CA 1.052 57.528 56.400 0.127 0.000 0.704 313 E CB -2.216 27.605 29.700 0.201 0.000 1.194 313 E HN 0.885 nan 8.360 nan 0.000 0.375 314 S N -2.272 113.461 115.700 0.053 0.000 2.745 314 S HA 0.705 5.175 4.470 -0.000 0.000 0.306 314 S C -2.237 172.324 174.600 -0.064 0.000 1.137 314 S CA -1.337 56.857 58.200 -0.009 0.000 0.900 314 S CB 2.604 65.732 63.200 -0.121 0.000 1.176 314 S HN -0.226 nan 8.310 nan 0.000 0.520 315 P HA 0.034 nan 4.420 nan 0.000 0.221 315 P C 0.909 178.235 177.300 0.043 0.000 1.145 315 P CA 1.228 64.265 63.100 -0.106 0.000 0.795 315 P CB -0.161 31.421 31.700 -0.197 0.000 0.775 316 F N -0.376 119.574 119.950 -0.000 0.000 2.163 316 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 316 F C 2.464 178.275 175.800 0.019 0.000 1.094 316 F CA 1.355 59.355 58.000 0.001 0.000 1.290 316 F CB -1.167 37.827 39.000 -0.009 0.000 1.017 316 F HN -0.001 nan 8.300 nan 0.000 0.483 317 T N -3.082 111.595 114.554 0.205 0.000 2.978 317 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 317 T C 0.801 175.567 174.700 0.111 0.000 1.063 317 T CA 0.639 62.822 62.100 0.139 0.000 1.140 317 T CB -0.193 68.747 68.868 0.120 0.000 0.886 317 T HN -0.029 nan 8.240 nan 0.000 0.470 318 N N 2.166 120.927 118.700 0.103 0.000 2.886 318 N HA 0.273 5.013 4.740 -0.000 0.000 0.285 318 N C -2.178 173.386 175.510 0.091 0.000 1.706 318 N CA -1.544 51.563 53.050 0.096 0.000 0.904 318 N CB 1.690 40.239 38.487 0.104 0.000 1.224 318 N HN 0.317 nan 8.380 nan 0.000 0.488 319 P HA -0.123 nan 4.420 nan 0.000 0.220 319 P C 0.354 177.704 177.300 0.083 0.000 1.148 319 P CA 1.247 64.401 63.100 0.089 0.000 0.803 319 P CB 0.365 32.116 31.700 0.085 0.000 0.782 320 D N -0.564 119.885 120.400 0.081 0.000 2.219 320 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 320 D C 0.803 177.162 176.300 0.097 0.000 0.970 320 D CA 0.641 54.688 54.000 0.079 0.000 0.851 320 D CB -1.190 39.651 40.800 0.068 0.000 0.943 320 D HN 0.115 nan 8.370 nan 0.000 0.488 321 D N 0.474 120.944 120.400 0.116 0.000 2.402 321 D HA 0.043 4.683 4.640 -0.000 0.000 0.235 321 D C 0.864 177.268 176.300 0.173 0.000 1.226 321 D CA -0.273 53.822 54.000 0.158 0.000 0.918 321 D CB 0.460 41.375 40.800 0.191 0.000 1.043 321 D HN -0.084 nan 8.370 nan 0.000 0.506 322 R N 2.858 123.476 120.500 0.196 0.000 2.235 322 R HA -0.089 4.251 4.340 -0.000 0.000 0.213 322 R C 1.233 177.706 176.300 0.289 0.000 1.059 322 R CA 0.374 56.601 56.100 0.211 0.000 0.997 322 R CB -0.287 30.140 30.300 0.213 0.000 0.884 322 R HN 0.436 nan 8.270 nan 0.000 0.462 323 F N 0.579 120.635 119.950 0.177 0.000 2.727 323 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 323 F C 1.747 177.648 175.800 0.168 0.000 1.097 323 F CA -0.620 57.501 58.000 0.202 0.000 1.330 323 F CB 0.027 39.191 39.000 0.273 0.000 1.084 323 F HN -0.183 nan 8.300 nan 0.000 0.578 324 I N -0.316 120.297 120.570 0.073 0.000 2.756 324 I HA -0.104 4.066 4.170 -0.000 0.000 0.262 324 I C 2.317 178.176 176.117 -0.429 0.000 1.225 324 I CA 1.278 62.387 61.300 -0.318 0.000 1.472 324 I CB -0.492 37.388 38.000 -0.201 0.000 1.094 324 I HN 0.196 nan 8.210 nan 0.000 0.454 325 G N -0.008 108.647 108.800 -0.242 0.000 2.470 325 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 325 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 325 G C 1.715 176.443 174.900 -0.287 0.000 1.121 325 G CA 0.824 45.834 45.100 -0.149 0.000 0.766 325 G HN 0.556 nan 8.290 nan 0.000 0.553 326 S N 0.666 116.026 115.700 -0.567 0.000 2.419 326 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 326 S C 1.995 176.263 174.600 -0.553 0.000 1.016 326 S CA 1.348 59.165 58.200 -0.639 0.000 0.974 326 S CB -0.237 62.293 63.200 -1.116 0.000 0.786 326 S HN 0.450 nan 8.310 nan 0.000 0.492 327 K N 0.246 120.157 120.400 -0.814 0.000 2.218 327 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 327 K C 0.560 176.653 176.600 -0.845 0.000 1.046 327 K CA 1.604 57.248 56.287 -1.073 0.000 0.933 327 K CB -0.284 31.195 32.500 -1.703 0.000 0.728 327 K HN 0.683 nan 8.250 nan 0.000 0.454 328 Y N -0.288 119.869 120.300 -0.239 0.000 2.584 328 Y HA 0.223 4.773 4.550 -0.000 0.000 0.254 328 Y C 0.128 175.945 175.900 -0.139 0.000 1.177 328 Y CA -0.752 57.246 58.100 -0.169 0.000 1.216 328 Y CB 0.529 38.877 38.460 -0.187 0.000 1.172 328 Y HN -0.156 nan 8.280 nan 0.000 0.529 329 I N 2.797 123.304 120.570 -0.105 0.000 2.379 329 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 329 I C 0.523 176.561 176.117 -0.131 0.000 1.063 329 I CA -0.527 60.672 61.300 -0.168 0.000 1.351 329 I CB -0.582 37.228 38.000 -0.316 0.000 1.410 329 I HN 0.360 nan 8.210 nan 0.000 0.505 330 C N 3.196 122.472 119.300 -0.041 0.000 3.340 330 C HA 0.822 5.282 4.460 -0.000 0.000 0.333 330 C C -0.152 174.963 174.990 0.207 0.000 1.464 330 C CA -0.703 58.340 59.018 0.043 0.000 1.337 330 C CB 1.779 29.549 27.740 0.050 0.000 1.740 330 C HN 0.645 nan 8.230 nan 0.000 0.450 331 S N 2.482 118.303 115.700 0.202 0.000 2.647 331 S HA 0.731 5.201 4.470 -0.000 0.000 0.300 331 S C -2.765 171.799 174.600 -0.060 0.000 1.129 331 S CA -0.298 58.058 58.200 0.259 0.000 1.029 331 S CB 1.814 65.313 63.200 0.498 0.000 1.007 331 S HN 0.805 nan 8.310 nan 0.000 0.484 332 P HA 0.298 nan 4.420 nan 0.000 0.272 332 P C -2.805 174.544 177.300 0.081 0.000 1.240 332 P CA -1.480 61.590 63.100 -0.051 0.000 0.791 332 P CB -0.594 30.964 31.700 -0.235 0.000 0.978 333 P HA 0.192 nan 4.420 nan 0.000 0.272 333 P C 0.217 177.610 177.300 0.154 0.000 1.230 333 P CA -0.088 63.089 63.100 0.127 0.000 0.788 333 P CB 0.454 32.125 31.700 -0.049 0.000 0.949 334 I N 2.196 122.885 120.570 0.198 0.000 2.683 334 I HA 0.001 4.171 4.170 -0.000 0.000 0.286 334 I C 1.526 177.681 176.117 0.062 0.000 1.175 334 I CA 0.249 61.659 61.300 0.184 0.000 1.429 334 I CB 0.089 38.151 38.000 0.103 0.000 1.371 334 I HN 0.136 nan 8.210 nan 0.000 0.569 335 R N 6.776 127.307 120.500 0.051 0.000 2.549 335 R HA 0.481 4.821 4.340 -0.000 0.000 0.267 335 R C -2.329 173.973 176.300 0.003 0.000 1.045 335 R CA -2.270 53.824 56.100 -0.011 0.000 1.115 335 R CB -0.170 30.108 30.300 -0.035 0.000 1.121 335 R HN 0.233 nan 8.270 nan 0.000 0.543 336 P HA -0.014 nan 4.420 nan 0.000 0.271 336 P C -0.114 177.204 177.300 0.030 0.000 1.244 336 P CA -0.247 62.864 63.100 0.018 0.000 0.793 336 P CB 0.393 32.099 31.700 0.011 0.000 0.984 337 E N 0.361 120.587 120.200 0.042 0.000 2.452 337 E HA 0.161 4.511 4.350 -0.000 0.000 0.261 337 E C 1.402 178.027 176.600 0.041 0.000 0.987 337 E CA 1.585 58.013 56.400 0.047 0.000 0.926 337 E CB -0.190 29.539 29.700 0.048 0.000 0.934 337 E HN 0.743 nan 8.360 nan 0.000 0.452 338 G N 3.084 111.914 108.800 0.050 0.000 2.213 338 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 338 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 338 G C 1.109 176.038 174.900 0.048 0.000 0.992 338 G CA 0.471 45.599 45.100 0.048 0.000 0.632 338 G HN 0.530 nan 8.290 nan 0.000 0.511 339 T N 0.713 115.293 114.554 0.043 0.000 3.009 339 T HA 0.070 4.420 4.350 -0.000 0.000 0.258 339 T C 2.212 176.944 174.700 0.053 0.000 1.063 339 T CA 1.767 63.888 62.100 0.035 0.000 1.139 339 T CB -0.060 68.814 68.868 0.009 0.000 0.890 339 T HN 0.348 nan 8.240 nan 0.000 0.471 340 Q N 1.251 121.094 119.800 0.070 0.000 2.224 340 Q HA 0.077 4.417 4.340 -0.000 0.000 0.203 340 Q C 2.131 178.214 176.000 0.137 0.000 0.970 340 Q CA 1.002 56.850 55.803 0.075 0.000 0.865 340 Q CB -0.166 28.631 28.738 0.099 0.000 0.922 340 Q HN 0.372 nan 8.270 nan 0.000 0.445 341 K N 0.070 120.579 120.400 0.183 0.000 2.097 341 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 341 K C 1.958 178.684 176.600 0.210 0.000 1.050 341 K CA 1.292 57.728 56.287 0.249 0.000 0.938 341 K CB 0.014 32.617 32.500 0.173 0.000 0.718 341 K HN 0.338 nan 8.250 nan 0.000 0.442 342 S N 0.625 116.407 115.700 0.137 0.000 2.442 342 S HA -0.098 4.372 4.470 -0.000 0.000 0.236 342 S C 1.814 176.519 174.600 0.175 0.000 1.007 342 S CA 0.670 58.943 58.200 0.122 0.000 0.965 342 S CB -0.294 62.952 63.200 0.077 0.000 0.773 342 S HN 0.140 nan 8.310 nan 0.000 0.504 343 I N 0.548 121.210 120.570 0.155 0.000 2.193 343 I HA -0.000 4.170 4.170 -0.000 0.000 0.240 343 I C 2.317 178.561 176.117 0.212 0.000 1.084 343 I CA 0.567 61.974 61.300 0.178 0.000 1.365 343 I CB -1.879 36.060 38.000 -0.102 0.000 1.064 343 I HN 0.359 nan 8.210 nan 0.000 0.410 344 W N 1.861 123.270 121.300 0.182 0.000 2.338 344 W HA -0.194 4.466 4.660 -0.000 0.000 0.304 344 W C 2.711 179.304 176.519 0.124 0.000 1.212 344 W CA 0.918 58.349 57.345 0.145 0.000 1.264 344 W CB -0.422 29.097 29.460 0.099 0.000 1.142 344 W HN 0.071 nan 8.180 nan 0.000 0.512 345 K N -0.226 120.365 120.400 0.318 0.000 2.032 345 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 345 K C 2.367 179.023 176.600 0.093 0.000 1.048 345 K CA 1.504 57.893 56.287 0.170 0.000 0.927 345 K CB -0.979 31.588 32.500 0.111 0.000 0.712 345 K HN 0.278 nan 8.250 nan 0.000 0.441 346 G N 1.010 109.845 108.800 0.057 0.000 2.422 346 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 346 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 346 G C 1.457 176.294 174.900 -0.105 0.000 1.146 346 G CA 0.682 45.627 45.100 -0.257 0.000 0.769 346 G HN 0.150 nan 8.290 nan 0.000 0.547 347 M N 0.381 120.160 119.600 0.299 0.000 2.159 347 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 347 M C 2.265 178.677 176.300 0.187 0.000 1.063 347 M CA 0.955 56.452 55.300 0.329 0.000 1.110 347 M CB -0.190 32.633 32.600 0.372 0.000 1.374 347 M HN 0.139 nan 8.290 nan 0.000 0.411 348 N N 0.766 119.563 118.700 0.162 0.000 2.290 348 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 348 N C 1.150 176.686 175.510 0.043 0.000 1.016 348 N CA 1.235 54.346 53.050 0.102 0.000 0.871 348 N CB -0.517 38.033 38.487 0.104 0.000 0.987 348 N HN 0.468 nan 8.380 nan 0.000 0.431 349 N N -0.261 118.445 118.700 0.010 0.000 2.398 349 N HA 0.080 4.820 4.740 -0.000 0.000 0.188 349 N C 0.984 176.466 175.510 -0.046 0.000 1.122 349 N CA 0.869 53.904 53.050 -0.024 0.000 0.866 349 N CB 0.036 38.499 38.487 -0.039 0.000 0.970 349 N HN 0.167 nan 8.380 nan 0.000 0.462 350 G N -1.541 107.233 108.800 -0.043 0.000 2.175 350 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 350 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 350 G C 0.979 175.826 174.900 -0.089 0.000 0.982 350 G CA 0.544 45.620 45.100 -0.040 0.000 0.641 350 G HN 0.364 nan 8.290 nan 0.000 0.527 351 T N 0.324 114.739 114.554 -0.232 0.000 2.737 351 T HA 0.133 4.483 4.350 -0.000 0.000 0.265 351 T C 0.949 175.438 174.700 -0.352 0.000 1.038 351 T CA 1.137 62.995 62.100 -0.404 0.000 1.144 351 T CB -0.156 68.253 68.868 -0.765 0.000 0.866 351 T HN 0.368 nan 8.240 nan 0.000 0.434 352 F N 1.995 121.975 119.950 0.049 0.000 2.350 352 F HA 0.284 4.811 4.527 -0.000 0.000 0.365 352 F C 1.601 177.434 175.800 0.056 0.000 1.122 352 F CA -0.981 57.053 58.000 0.057 0.000 1.139 352 F CB 0.795 39.823 39.000 0.046 0.000 1.220 352 F HN -0.059 nan 8.300 nan 0.000 0.499 353 T N 3.435 118.128 114.554 0.230 0.000 2.777 353 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 353 T C 0.614 175.366 174.700 0.087 0.000 1.040 353 T CA 1.116 63.290 62.100 0.123 0.000 1.141 353 T CB -0.154 68.778 68.868 0.106 0.000 0.868 353 T HN 0.568 nan 8.240 nan 0.000 0.444 354 I N -2.271 118.373 120.570 0.122 0.000 3.074 354 I HA 0.752 4.922 4.170 -0.000 0.000 0.310 354 I C -1.752 174.429 176.117 0.107 0.000 1.153 354 I CA -1.575 59.781 61.300 0.094 0.000 0.993 354 I CB 2.481 40.523 38.000 0.071 0.000 1.237 354 I HN -0.326 nan 8.210 nan 0.000 0.443 355 V N 2.799 122.765 119.914 0.087 0.000 2.483 355 V HA 0.813 4.933 4.120 -0.000 0.000 0.297 355 V C 0.439 176.581 176.094 0.081 0.000 1.027 355 V CA -0.096 62.238 62.300 0.056 0.000 0.855 355 V CB 1.067 32.913 31.823 0.039 0.000 0.995 355 V HN 1.052 nan 8.190 nan 0.000 0.424 356 G N 1.991 110.843 108.800 0.087 0.000 2.644 356 G HA2 0.545 4.505 3.960 -0.000 0.000 0.307 356 G HA3 0.545 4.505 3.960 -0.000 0.000 0.307 356 G C 0.674 175.634 174.900 0.100 0.000 1.250 356 G CA 0.243 45.422 45.100 0.131 0.000 0.996 356 G HN 0.769 nan 8.290 nan 0.000 0.489 357 S N -1.479 114.309 115.700 0.146 0.000 2.483 357 S HA 0.076 4.546 4.470 -0.000 0.000 0.221 357 S C 0.843 175.538 174.600 0.158 0.000 1.030 357 S CA 1.174 59.458 58.200 0.139 0.000 0.925 357 S CB 0.046 63.350 63.200 0.173 0.000 0.795 357 S HN 0.728 nan 8.310 nan 0.000 0.511 358 D N 1.336 121.873 120.400 0.229 0.000 2.723 358 D HA -0.236 4.404 4.640 -0.000 0.000 0.236 358 D C -0.271 176.269 176.300 0.398 0.000 1.138 358 D CA 0.705 54.893 54.000 0.314 0.000 0.676 358 D CB -2.465 38.409 40.800 0.124 0.000 1.069 358 D HN 0.867 nan 8.370 nan 0.000 0.430 359 H N 0.228 119.489 119.070 0.318 0.000 3.026 359 H HA 0.376 4.932 4.556 -0.000 0.000 0.289 359 H C -0.609 174.878 175.328 0.264 0.000 1.022 359 H CA 0.596 56.777 56.048 0.222 0.000 1.477 359 H CB 0.293 30.151 29.762 0.160 0.000 1.510 359 H HN 0.258 nan 8.280 nan 0.000 0.535 360 C N 5.575 124.714 119.300 -0.268 0.000 2.789 360 C HA 0.394 4.854 4.460 -0.000 0.000 0.367 360 C C -1.021 173.671 174.990 -0.496 0.000 1.062 360 C CA -0.490 58.357 59.018 -0.286 0.000 1.297 360 C CB -0.225 27.455 27.740 -0.100 0.000 1.794 360 C HN 0.900 nan 8.230 nan 0.000 0.474 361 S N 4.543 119.833 115.700 -0.683 0.000 2.437 361 S HA 0.774 5.243 4.470 -0.000 0.000 0.305 361 S C -1.404 172.771 174.600 -0.710 0.000 1.109 361 S CA -0.263 57.583 58.200 -0.590 0.000 1.099 361 S CB 0.749 63.659 63.200 -0.483 0.000 1.004 361 S HN 0.696 nan 8.310 nan 0.000 0.475 362 Y N 1.009 121.290 120.300 -0.032 0.000 2.457 362 Y HA 0.381 4.931 4.550 -0.000 0.000 0.343 362 Y C 0.321 176.312 175.900 0.152 0.000 0.994 362 Y CA -1.231 56.894 58.100 0.042 0.000 1.031 362 Y CB 1.228 39.714 38.460 0.044 0.000 1.246 362 Y HN 0.474 nan 8.280 nan 0.000 0.449 363 N N 1.096 119.959 118.700 0.271 0.000 2.453 363 N HA -0.040 4.700 4.740 -0.000 0.000 0.253 363 N C -0.064 175.617 175.510 0.285 0.000 1.252 363 N CA 0.236 53.449 53.050 0.271 0.000 0.917 363 N CB 0.703 39.292 38.487 0.172 0.000 1.117 363 N HN 0.808 nan 8.380 nan 0.000 0.442 364 Y N 0.654 120.994 120.300 0.067 0.000 2.581 364 Y HA 0.181 4.731 4.550 -0.000 0.000 0.271 364 Y C 0.873 176.651 175.900 -0.203 0.000 1.100 364 Y CA 0.540 58.535 58.100 -0.176 0.000 1.281 364 Y CB 0.184 38.218 38.460 -0.709 0.000 1.237 364 Y HN 0.565 nan 8.280 nan 0.000 0.514 365 Y N 0.987 121.361 120.300 0.123 0.000 2.466 365 Y HA 0.165 4.715 4.550 -0.000 0.000 0.272 365 Y C -0.097 175.767 175.900 -0.061 0.000 1.169 365 Y CA -0.166 57.945 58.100 0.018 0.000 1.285 365 Y CB 0.176 38.696 38.460 0.100 0.000 1.078 365 Y HN 0.103 nan 8.280 nan 0.000 0.523 366 E N -0.744 119.479 120.200 0.038 0.000 2.222 366 E HA 0.367 4.717 4.350 -0.000 0.000 0.267 366 E C -0.438 176.095 176.600 -0.111 0.000 0.884 366 E CA -0.830 55.548 56.400 -0.036 0.000 0.764 366 E CB 1.589 31.299 29.700 0.017 0.000 1.169 366 E HN -0.010 nan 8.360 nan 0.000 0.413 367 K N 1.492 121.767 120.400 -0.207 0.000 2.355 367 K HA 0.138 4.458 4.320 -0.000 0.000 0.198 367 K C 0.414 176.952 176.600 -0.105 0.000 1.039 367 K CA 0.389 56.510 56.287 -0.277 0.000 1.075 367 K CB 0.673 32.847 32.500 -0.542 0.000 0.870 367 K HN 0.556 nan 8.250 nan 0.000 0.540 368 T N 0.320 114.832 114.554 -0.070 0.000 3.040 368 T HA -0.020 4.330 4.350 -0.000 0.000 0.252 368 T C 1.036 175.729 174.700 -0.011 0.000 1.064 368 T CA 0.051 62.124 62.100 -0.044 0.000 1.110 368 T CB 0.277 69.115 68.868 -0.049 0.000 0.921 368 T HN 0.192 nan 8.240 nan 0.000 0.480 369 S N 2.059 117.764 115.700 0.008 0.000 2.603 369 S HA 0.138 4.608 4.470 -0.000 0.000 0.268 369 S C 1.650 176.273 174.600 0.039 0.000 1.317 369 S CA -0.052 58.162 58.200 0.024 0.000 1.012 369 S CB 1.052 64.272 63.200 0.034 0.000 0.926 369 S HN 0.364 nan 8.310 nan 0.000 0.539 370 T N -1.378 113.199 114.554 0.038 0.000 3.025 370 T HA 0.071 4.421 4.350 -0.000 0.000 0.270 370 T C 1.161 175.910 174.700 0.083 0.000 1.126 370 T CA 0.700 62.825 62.100 0.043 0.000 1.105 370 T CB -0.496 68.392 68.868 0.034 0.000 0.884 370 T HN 0.942 nan 8.240 nan 0.000 0.522 371 A N 0.672 123.558 122.820 0.110 0.000 2.545 371 A HA 0.599 4.918 4.320 -0.000 0.000 0.277 371 A C 0.989 178.719 177.584 0.242 0.000 1.301 371 A CA -0.447 51.709 52.037 0.198 0.000 0.935 371 A CB -0.033 19.046 19.000 0.131 0.000 1.093 371 A HN 0.415 nan 8.150 nan 0.000 0.519 372 S N -0.500 115.299 115.700 0.164 0.000 2.646 372 S HA 0.321 4.791 4.470 -0.000 0.000 0.276 372 S C 1.126 175.810 174.600 0.140 0.000 1.222 372 S CA -0.593 57.712 58.200 0.176 0.000 1.014 372 S CB 0.699 63.987 63.200 0.147 0.000 0.991 372 S HN 0.306 nan 8.310 nan 0.000 0.533 373 K N 1.623 122.126 120.400 0.172 0.000 2.148 373 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 373 K C 1.433 178.132 176.600 0.165 0.000 1.050 373 K CA 1.337 57.682 56.287 0.097 0.000 0.942 373 K CB -0.521 32.042 32.500 0.105 0.000 0.724 373 K HN 0.694 nan 8.250 nan 0.000 0.446 374 H N 0.315 119.494 119.070 0.181 0.000 2.563 374 H HA 0.010 4.565 4.556 -0.000 0.000 0.272 374 H C 1.929 177.297 175.328 0.068 0.000 1.005 374 H CA 0.262 56.377 56.048 0.112 0.000 1.171 374 H CB 0.108 29.832 29.762 -0.063 0.000 1.351 374 H HN 0.180 nan 8.280 nan 0.000 0.602 375 R N 1.495 122.058 120.500 0.105 0.000 2.211 375 R HA -0.129 4.211 4.340 -0.000 0.000 0.240 375 R C 2.033 178.304 176.300 -0.048 0.000 1.144 375 R CA 0.952 57.059 56.100 0.012 0.000 0.992 375 R CB -0.076 30.207 30.300 -0.029 0.000 0.869 375 R HN 0.259 nan 8.270 nan 0.000 0.462 376 A N 0.385 123.171 122.820 -0.058 0.000 2.070 376 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 376 A C 0.385 177.707 177.584 -0.437 0.000 1.159 376 A CA 0.603 52.524 52.037 -0.194 0.000 0.656 376 A CB -0.178 18.735 19.000 -0.145 0.000 0.800 376 A HN 0.253 nan 8.150 nan 0.000 0.453 377 F N 0.515 120.338 119.950 -0.211 0.000 2.335 377 F HA 0.400 4.927 4.527 -0.000 0.000 0.365 377 F C 0.143 175.839 175.800 -0.173 0.000 1.122 377 F CA -0.627 57.247 58.000 -0.209 0.000 1.151 377 F CB 0.932 39.793 39.000 -0.232 0.000 1.282 377 F HN 0.006 nan 8.300 nan 0.000 0.513 378 D N 5.409 125.763 120.400 -0.076 0.000 2.586 378 D HA 0.200 4.840 4.640 -0.000 0.000 0.254 378 D C -2.159 174.067 176.300 -0.123 0.000 1.248 378 D CA -1.530 52.408 54.000 -0.104 0.000 0.843 378 D CB 1.526 42.228 40.800 -0.163 0.000 1.332 378 D HN 0.114 nan 8.370 nan 0.000 0.523 379 P HA -0.112 nan 4.420 nan 0.000 0.215 379 P C 0.962 178.213 177.300 -0.082 0.000 1.153 379 P CA 1.060 64.118 63.100 -0.069 0.000 0.853 379 P CB 0.615 32.292 31.700 -0.038 0.000 0.788 380 E N -1.499 118.656 120.200 -0.074 0.000 2.338 380 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 380 E C 1.191 177.739 176.600 -0.086 0.000 1.007 380 E CA 0.616 56.974 56.400 -0.069 0.000 0.849 380 E CB -0.713 28.954 29.700 -0.056 0.000 0.774 380 E HN 0.098 nan 8.360 nan 0.000 0.506 381 N N 0.645 119.274 118.700 -0.119 0.000 2.275 381 N HA 0.041 4.781 4.740 -0.000 0.000 0.236 381 N C -0.935 174.452 175.510 -0.205 0.000 1.154 381 N CA -0.077 52.886 53.050 -0.147 0.000 0.866 381 N CB -0.083 38.309 38.487 -0.159 0.000 1.093 381 N HN 0.012 nan 8.380 nan 0.000 0.515 382 N N 0.550 119.144 118.700 -0.177 0.000 2.725 382 N HA -0.216 4.524 4.740 -0.000 0.000 0.251 382 N C -1.076 174.226 175.510 -0.347 0.000 1.031 382 N CA 0.904 53.842 53.050 -0.186 0.000 0.720 382 N CB -0.961 37.454 38.487 -0.121 0.000 0.930 382 N HN 0.476 nan 8.380 nan 0.000 0.543 383 K N 0.608 120.755 120.400 -0.421 0.000 2.463 383 K HA 0.343 4.663 4.320 -0.000 0.000 0.255 383 K C 0.014 176.416 176.600 -0.330 0.000 0.942 383 K CA -0.627 55.267 56.287 -0.655 0.000 0.814 383 K CB 1.321 33.309 32.500 -0.854 0.000 1.122 383 K HN 0.011 nan 8.250 nan 0.000 0.425 384 N N 1.623 120.177 118.700 -0.244 0.000 2.433 384 N HA 0.124 4.863 4.740 -0.000 0.000 0.270 384 N C 0.400 175.653 175.510 -0.428 0.000 1.354 384 N CA 0.303 53.244 53.050 -0.182 0.000 0.889 384 N CB 1.586 40.042 38.487 -0.053 0.000 1.285 384 N HN 1.018 nan 8.380 nan 0.000 0.503 385 G N 0.800 109.107 108.800 -0.822 0.000 2.176 385 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.232 385 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.232 385 G C -0.070 174.626 174.900 -0.340 0.000 0.986 385 G CA -0.299 44.022 45.100 -1.298 0.000 0.643 385 G HN 0.335 nan 8.290 nan 0.000 0.522 386 E N 0.034 120.149 120.200 -0.141 0.000 2.442 386 E HA 0.370 4.720 4.350 -0.000 0.000 0.262 386 E C 1.448 177.957 176.600 -0.152 0.000 1.004 386 E CA 0.181 56.501 56.400 -0.133 0.000 0.928 386 E CB -0.001 29.547 29.700 -0.253 0.000 0.937 386 E HN 0.542 nan 8.360 nan 0.000 0.446 387 F N 2.435 122.380 119.950 -0.007 0.000 2.154 387 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 387 F C 2.099 177.842 175.800 -0.095 0.000 1.087 387 F CA 1.440 59.430 58.000 -0.017 0.000 1.274 387 F CB -0.387 38.648 39.000 0.059 0.000 1.009 387 F HN 0.403 nan 8.300 nan 0.000 0.485 388 R N 0.130 120.197 120.500 -0.723 0.000 2.140 388 R HA -0.258 4.082 4.340 -0.000 0.000 0.250 388 R C 1.842 177.877 176.300 -0.443 0.000 1.150 388 R CA 2.469 58.197 56.100 -0.620 0.000 0.966 388 R CB -0.929 28.738 30.300 -1.054 0.000 0.869 388 R HN 0.538 nan 8.270 nan 0.000 0.445 389 Y N 0.009 120.189 120.300 -0.200 0.000 2.490 389 Y HA 0.203 4.753 4.550 -0.000 0.000 0.281 389 Y C 0.532 176.336 175.900 -0.159 0.000 1.174 389 Y CA -0.657 57.334 58.100 -0.182 0.000 1.295 389 Y CB 0.352 38.682 38.460 -0.216 0.000 1.062 389 Y HN -0.037 nan 8.280 nan 0.000 0.522 390 I N 4.488 125.049 120.570 -0.016 0.000 2.452 390 I HA 0.070 4.240 4.170 -0.000 0.000 0.287 390 I C -2.085 173.914 176.117 -0.196 0.000 1.079 390 I CA -2.126 59.139 61.300 -0.059 0.000 1.387 390 I CB 0.420 38.372 38.000 -0.080 0.000 1.404 390 I HN -0.157 nan 8.210 nan 0.000 0.522 391 P HA -0.032 nan 4.420 nan 0.000 0.263 391 P C -0.835 176.211 177.300 -0.423 0.000 1.195 391 P CA 0.261 63.013 63.100 -0.581 0.000 0.762 391 P CB 0.277 31.203 31.700 -1.291 0.000 0.799 392 N N 1.791 120.338 118.700 -0.256 0.000 2.472 392 N HA 0.480 5.220 4.740 -0.000 0.000 0.277 392 N C 0.377 175.931 175.510 0.074 0.000 1.081 392 N CA 0.147 53.128 53.050 -0.115 0.000 0.973 392 N CB 0.905 39.328 38.487 -0.107 0.000 1.105 392 N HN 0.605 nan 8.380 nan 0.000 0.470 393 G N 1.331 110.176 108.800 0.075 0.000 2.337 393 G HA2 0.187 4.147 3.960 -0.000 0.000 0.310 393 G HA3 0.187 4.147 3.960 -0.000 0.000 0.310 393 G C -1.743 173.188 174.900 0.052 0.000 1.534 393 G CA -0.883 44.271 45.100 0.091 0.000 0.982 393 G HN 0.364 nan 8.290 nan 0.000 0.672 394 L N 0.250 121.463 121.223 -0.017 0.000 2.388 394 L HA 0.634 4.974 4.340 -0.000 0.000 0.264 394 L C -2.512 174.270 176.870 -0.146 0.000 0.998 394 L CA -2.437 52.358 54.840 -0.074 0.000 0.817 394 L CB 2.791 44.807 42.059 -0.072 0.000 1.338 394 L HN 0.293 nan 8.230 nan 0.000 0.414 395 P HA 0.217 nan 4.420 nan 0.000 0.276 395 P C 0.275 177.679 177.300 0.173 0.000 1.235 395 P CA 0.037 63.074 63.100 -0.105 0.000 0.772 395 P CB 1.168 32.827 31.700 -0.068 0.000 0.871 396 G N 1.222 110.282 108.800 0.433 0.000 3.941 396 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.222 396 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.222 396 G C 0.907 175.955 174.900 0.246 0.000 1.118 396 G CA 0.096 45.398 45.100 0.337 0.000 0.880 396 G HN 0.428 nan 8.290 nan 0.000 0.546 397 V N 0.610 120.645 119.914 0.201 0.000 2.490 397 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 397 V C 2.561 178.623 176.094 -0.053 0.000 1.061 397 V CA 2.543 64.807 62.300 -0.060 0.000 1.064 397 V CB -0.135 31.421 31.823 -0.445 0.000 0.670 397 V HN 0.510 nan 8.190 nan 0.000 0.461 398 C N 0.541 119.837 119.300 -0.006 0.000 2.500 398 C HA -0.065 4.395 4.460 -0.000 0.000 0.279 398 C C 3.003 177.977 174.990 -0.026 0.000 1.288 398 C CA 1.602 60.605 59.018 -0.024 0.000 1.710 398 C CB -1.150 26.610 27.740 0.033 0.000 2.052 398 C HN 0.754 nan 8.230 nan 0.000 0.488 399 T N -0.976 113.627 114.554 0.082 0.000 3.088 399 T HA -0.038 4.312 4.350 -0.000 0.000 0.259 399 T C 1.910 176.594 174.700 -0.028 0.000 1.122 399 T CA 0.884 63.023 62.100 0.066 0.000 1.095 399 T CB -0.595 68.362 68.868 0.147 0.000 0.930 399 T HN 0.706 nan 8.240 nan 0.000 0.508 400 R N 0.819 121.317 120.500 -0.003 0.000 2.094 400 R HA -0.105 4.235 4.340 -0.000 0.000 0.239 400 R C 2.294 178.611 176.300 0.029 0.000 1.137 400 R CA 1.738 57.843 56.100 0.009 0.000 0.943 400 R CB -0.361 29.958 30.300 0.032 0.000 0.850 400 R HN 0.316 nan 8.270 nan 0.000 0.433 401 M N -0.192 119.425 119.600 0.027 0.000 2.077 401 M HA -0.047 4.433 4.480 -0.000 0.000 0.261 401 M C -0.603 175.825 176.300 0.212 0.000 1.070 401 M CA 1.482 56.865 55.300 0.137 0.000 1.125 401 M CB -1.374 31.327 32.600 0.169 0.000 1.339 401 M HN 0.095 nan 8.290 nan 0.000 0.409 402 P HA -0.108 nan 4.420 nan 0.000 0.215 402 P C 1.798 179.230 177.300 0.220 0.000 1.153 402 P CA 1.188 64.380 63.100 0.154 0.000 0.853 402 P CB -0.203 31.402 31.700 -0.159 0.000 0.788 403 L N -1.468 119.849 121.223 0.155 0.000 2.083 403 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 403 L C 2.430 179.489 176.870 0.316 0.000 1.083 403 L CA 1.171 56.136 54.840 0.209 0.000 0.752 403 L CB -0.788 41.231 42.059 -0.067 0.000 0.899 403 L HN 0.015 nan 8.230 nan 0.000 0.433 404 L N -1.565 119.805 121.223 0.245 0.000 2.072 404 L HA -0.245 4.095 4.340 -0.000 0.000 0.205 404 L C 2.522 179.520 176.870 0.213 0.000 1.079 404 L CA 1.692 56.703 54.840 0.285 0.000 0.752 404 L CB -0.782 41.402 42.059 0.208 0.000 0.906 404 L HN 0.288 nan 8.230 nan 0.000 0.436 405 Y N 1.164 121.471 120.300 0.011 0.000 2.097 405 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 405 Y C 2.589 178.488 175.900 -0.003 0.000 1.152 405 Y CA 2.297 60.331 58.100 -0.109 0.000 1.136 405 Y CB 0.037 38.212 38.460 -0.475 0.000 0.975 405 Y HN 0.242 nan 8.280 nan 0.000 0.498 406 D N -1.103 119.464 120.400 0.279 0.000 2.087 406 D HA -0.205 4.435 4.640 -0.000 0.000 0.201 406 D C 1.932 178.161 176.300 -0.118 0.000 0.980 406 D CA 1.897 55.943 54.000 0.076 0.000 0.849 406 D CB -0.757 40.062 40.800 0.032 0.000 1.001 406 D HN 0.393 nan 8.370 nan 0.000 0.452 407 Y N 0.327 120.659 120.300 0.053 0.000 2.373 407 Y HA 0.116 4.666 4.550 -0.000 0.000 0.293 407 Y C 2.330 178.056 175.900 -0.290 0.000 1.129 407 Y CA 1.116 59.203 58.100 -0.022 0.000 1.226 407 Y CB -0.433 38.124 38.460 0.162 0.000 1.000 407 Y HN 0.088 nan 8.280 nan 0.000 0.549 408 G N -1.068 107.711 108.800 -0.036 0.000 2.572 408 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.214 408 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.214 408 G C 1.420 176.199 174.900 -0.201 0.000 1.246 408 G CA 0.780 45.734 45.100 -0.243 0.000 0.835 408 G HN 0.385 nan 8.290 nan 0.000 0.551 409 Y N 1.166 121.317 120.300 -0.249 0.000 2.130 409 Y HA 0.151 4.700 4.550 -0.000 0.000 0.287 409 Y C 2.540 178.272 175.900 -0.279 0.000 1.124 409 Y CA 1.247 59.160 58.100 -0.312 0.000 1.118 409 Y CB -0.501 37.669 38.460 -0.484 0.000 0.994 409 Y HN 0.061 nan 8.280 nan 0.000 0.497 410 L N 0.062 120.888 121.223 -0.661 0.000 2.093 410 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 410 L C 2.264 178.880 176.870 -0.424 0.000 1.085 410 L CA 1.420 55.872 54.840 -0.647 0.000 0.755 410 L CB -0.392 41.464 42.059 -0.339 0.000 0.904 410 L HN 0.142 nan 8.230 nan 0.000 0.435 411 R N -0.386 119.906 120.500 -0.347 0.000 2.317 411 R HA 0.121 4.461 4.340 -0.000 0.000 0.208 411 R C 1.190 177.323 176.300 -0.278 0.000 0.914 411 R CA 0.574 56.504 56.100 -0.284 0.000 1.060 411 R CB 0.363 30.506 30.300 -0.262 0.000 1.015 411 R HN 0.450 nan 8.270 nan 0.000 0.498 412 G N 0.866 109.480 108.800 -0.310 0.000 2.157 412 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.239 412 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.239 412 G C 0.593 175.326 174.900 -0.278 0.000 0.982 412 G CA 0.140 45.088 45.100 -0.254 0.000 0.650 412 G HN 0.294 nan 8.290 nan 0.000 0.527 413 N N -0.246 118.179 118.700 -0.457 0.000 2.409 413 N HA 0.110 4.850 4.740 -0.000 0.000 0.179 413 N C 1.000 176.288 175.510 -0.369 0.000 1.032 413 N CA 0.685 53.345 53.050 -0.649 0.000 0.898 413 N CB 0.223 37.754 38.487 -1.593 0.000 0.971 413 N HN 0.498 nan 8.380 nan 0.000 0.441 414 L N 0.507 121.588 121.223 -0.238 0.000 2.331 414 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 414 L C 1.729 178.590 176.870 -0.016 0.000 1.022 414 L CA -0.430 54.403 54.840 -0.013 0.000 0.812 414 L CB 1.870 43.971 42.059 0.071 0.000 1.257 414 L HN 0.019 nan 8.230 nan 0.000 0.435 415 T N -2.199 112.364 114.554 0.015 0.000 2.788 415 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 415 T C 0.704 175.418 174.700 0.023 0.000 1.044 415 T CA 0.959 63.064 62.100 0.008 0.000 1.139 415 T CB -0.101 68.773 68.868 0.010 0.000 0.867 415 T HN 0.669 nan 8.240 nan 0.000 0.454 416 S N -1.362 114.347 115.700 0.015 0.000 2.636 416 S HA 0.528 4.998 4.470 -0.000 0.000 0.268 416 S C 0.505 174.995 174.600 -0.183 0.000 1.159 416 S CA -0.962 57.222 58.200 -0.027 0.000 0.815 416 S CB 1.007 64.170 63.200 -0.062 0.000 1.130 416 S HN -0.113 nan 8.310 nan 0.000 0.471 417 M N 0.602 119.906 119.600 -0.494 0.000 2.279 417 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 417 M C 1.918 177.980 176.300 -0.396 0.000 1.062 417 M CA 1.587 56.454 55.300 -0.721 0.000 1.099 417 M CB -1.471 30.403 32.600 -1.209 0.000 1.394 417 M HN 0.760 nan 8.290 nan 0.000 0.426 418 M N -0.769 118.672 119.600 -0.265 0.000 2.175 418 M HA -0.221 4.259 4.480 -0.000 0.000 0.264 418 M C 2.100 178.344 176.300 -0.093 0.000 1.063 418 M CA 1.518 56.729 55.300 -0.149 0.000 1.119 418 M CB -0.406 32.136 32.600 -0.097 0.000 1.377 418 M HN 0.048 nan 8.290 nan 0.000 0.415 419 K N 0.938 121.292 120.400 -0.076 0.000 2.097 419 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 419 K C 1.751 178.345 176.600 -0.011 0.000 1.050 419 K CA 0.896 57.170 56.287 -0.022 0.000 0.938 419 K CB -0.208 32.298 32.500 0.010 0.000 0.718 419 K HN 0.231 nan 8.250 nan 0.000 0.442 420 L N 0.091 121.281 121.223 -0.055 0.000 1.970 420 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 420 L C 1.924 178.781 176.870 -0.022 0.000 1.071 420 L CA 1.448 56.265 54.840 -0.038 0.000 0.751 420 L CB -0.325 41.655 42.059 -0.133 0.000 0.889 420 L HN 0.021 nan 8.230 nan 0.000 0.432 421 V N 0.088 119.965 119.914 -0.062 0.000 2.287 421 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 421 V C 2.504 178.599 176.094 0.002 0.000 1.053 421 V CA 2.239 64.525 62.300 -0.023 0.000 1.027 421 V CB -0.808 30.988 31.823 -0.047 0.000 0.646 421 V HN 0.616 nan 8.190 nan 0.000 0.447 422 E N 0.471 120.666 120.200 -0.008 0.000 2.065 422 E HA -0.273 4.077 4.350 -0.000 0.000 0.201 422 E C 2.086 178.693 176.600 0.012 0.000 1.016 422 E CA 2.555 58.954 56.400 -0.002 0.000 0.818 422 E CB -0.200 29.498 29.700 -0.004 0.000 0.749 422 E HN 0.800 nan 8.360 nan 0.000 0.453 423 I N -2.194 118.396 120.570 0.033 0.000 2.852 423 I HA -0.052 4.118 4.170 -0.000 0.000 0.264 423 I C 1.908 178.061 176.117 0.060 0.000 1.179 423 I CA 0.404 61.737 61.300 0.055 0.000 1.480 423 I CB -0.084 37.970 38.000 0.090 0.000 1.111 423 I HN -0.011 nan 8.210 nan 0.000 0.441 424 Q N 0.655 120.490 119.800 0.058 0.000 2.339 424 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 424 Q C 1.837 177.876 176.000 0.065 0.000 0.925 424 Q CA 1.188 57.032 55.803 0.068 0.000 0.898 424 Q CB 0.749 29.535 28.738 0.078 0.000 1.013 424 Q HN 0.674 nan 8.270 nan 0.000 0.504 425 C N -1.608 117.725 119.300 0.055 0.000 2.726 425 C HA 0.165 4.625 4.460 -0.000 0.000 0.380 425 C C 2.548 177.571 174.990 0.055 0.000 1.691 425 C CA 0.225 59.278 59.018 0.058 0.000 2.388 425 C CB -0.249 27.528 27.740 0.062 0.000 2.227 425 C HN 0.327 nan 8.230 nan 0.000 0.647 426 T N 2.216 116.793 114.554 0.040 0.000 2.809 426 T HA -0.078 4.272 4.350 -0.000 0.000 0.260 426 T C 1.537 176.214 174.700 -0.039 0.000 1.039 426 T CA 1.528 63.646 62.100 0.029 0.000 1.141 426 T CB -0.383 68.496 68.868 0.017 0.000 0.869 426 T HN 0.353 nan 8.240 nan 0.000 0.437 427 N N 1.452 120.117 118.700 -0.059 0.000 2.142 427 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 427 N C -1.067 174.357 175.510 -0.143 0.000 1.023 427 N CA 0.989 53.962 53.050 -0.128 0.000 0.852 427 N CB -1.472 36.950 38.487 -0.108 0.000 0.998 427 N HN 0.312 nan 8.380 nan 0.000 0.424 428 P HA -0.108 nan 4.420 nan 0.000 0.216 428 P C 1.080 178.408 177.300 0.046 0.000 1.153 428 P CA 1.676 64.795 63.100 0.032 0.000 0.858 428 P CB -0.078 31.690 31.700 0.112 0.000 0.789 429 A N -0.100 122.747 122.820 0.046 0.000 1.877 429 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 429 A C 2.151 179.759 177.584 0.040 0.000 1.186 429 A CA 1.965 54.056 52.037 0.091 0.000 0.620 429 A CB -1.113 17.992 19.000 0.175 0.000 0.822 429 A HN 0.144 nan 8.150 nan 0.000 0.443 430 K N -0.930 119.411 120.400 -0.099 0.000 2.097 430 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 430 K C 1.817 178.124 176.600 -0.488 0.000 1.050 430 K CA 1.220 57.331 56.287 -0.292 0.000 0.938 430 K CB -0.307 31.916 32.500 -0.462 0.000 0.718 430 K HN 0.269 nan 8.250 nan 0.000 0.442 431 V N 0.198 119.805 119.914 -0.511 0.000 2.719 431 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 431 V C 0.600 176.309 176.094 -0.643 0.000 1.065 431 V CA 1.288 63.160 62.300 -0.714 0.000 1.086 431 V CB -0.119 31.177 31.823 -0.878 0.000 0.700 431 V HN 0.283 nan 8.190 nan 0.000 0.467 432 Y N -0.156 120.058 120.300 -0.143 0.000 2.658 432 Y HA 0.467 5.017 4.550 -0.000 0.000 0.276 432 Y C 1.576 177.425 175.900 -0.086 0.000 1.167 432 Y CA 0.160 58.207 58.100 -0.087 0.000 1.230 432 Y CB 0.525 38.966 38.460 -0.032 0.000 1.144 432 Y HN 0.291 nan 8.280 nan 0.000 0.529 433 G N 0.950 109.761 108.800 0.018 0.000 2.198 433 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 433 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 433 G C 0.474 175.412 174.900 0.063 0.000 1.025 433 G CA 0.621 45.746 45.100 0.041 0.000 0.769 433 G HN 0.494 nan 8.290 nan 0.000 0.507 434 M N -1.141 118.507 119.600 0.079 0.000 2.356 434 M HA 0.345 4.825 4.480 -0.000 0.000 0.262 434 M C 0.525 176.888 176.300 0.104 0.000 1.097 434 M CA -0.235 55.097 55.300 0.054 0.000 0.991 434 M CB 0.563 33.178 32.600 0.025 0.000 1.450 434 M HN 0.296 nan 8.290 nan 0.000 0.495 435 Y N 2.448 122.772 120.300 0.039 0.000 2.323 435 Y HA 0.349 4.899 4.550 -0.000 0.000 0.331 435 Y C -1.670 174.276 175.900 0.076 0.000 1.092 435 Y CA -1.882 56.262 58.100 0.072 0.000 1.150 435 Y CB 1.063 39.607 38.460 0.140 0.000 1.200 435 Y HN -0.004 nan 8.280 nan 0.000 0.472 436 P HA -0.003 nan 4.420 nan 0.000 0.261 436 P C 0.816 177.879 177.300 -0.395 0.000 1.268 436 P CA 0.420 62.885 63.100 -1.059 0.000 0.833 436 P CB 0.369 31.433 31.700 -1.059 0.000 1.231 437 Q N 0.518 120.197 119.800 -0.200 0.000 2.152 437 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 437 Q C 0.040 175.997 176.000 -0.073 0.000 0.985 437 Q CA 1.385 57.120 55.803 -0.113 0.000 0.863 437 Q CB 0.114 28.805 28.738 -0.079 0.000 0.904 437 Q HN 0.141 nan 8.270 nan 0.000 0.422 438 K N -2.699 117.681 120.400 -0.034 0.000 2.340 438 K HA 0.472 4.792 4.320 -0.000 0.000 0.244 438 K C -0.102 176.554 176.600 0.094 0.000 0.973 438 K CA 0.353 56.650 56.287 0.017 0.000 0.828 438 K CB 1.960 34.469 32.500 0.015 0.000 1.226 438 K HN 0.108 nan 8.250 nan 0.000 0.437 439 G N -0.041 108.814 108.800 0.092 0.000 2.232 439 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.226 439 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.226 439 G C 0.021 175.003 174.900 0.137 0.000 0.996 439 G CA 0.336 45.516 45.100 0.133 0.000 0.626 439 G HN 0.551 nan 8.290 nan 0.000 0.509 440 S N -1.056 114.719 115.700 0.126 0.000 2.911 440 S HA 0.792 5.262 4.470 -0.000 0.000 0.319 440 S C -0.551 174.083 174.600 0.057 0.000 1.154 440 S CA -0.561 57.706 58.200 0.110 0.000 0.857 440 S CB 1.502 64.805 63.200 0.173 0.000 1.279 440 S HN 0.555 nan 8.310 nan 0.000 0.593 441 I N 1.868 122.471 120.570 0.055 0.000 2.668 441 I HA 0.358 4.528 4.170 -0.000 0.000 0.276 441 I C -1.576 174.560 176.117 0.032 0.000 1.139 441 I CA -0.034 61.285 61.300 0.031 0.000 1.133 441 I CB 0.135 38.152 38.000 0.028 0.000 1.327 441 I HN 0.164 nan 8.210 nan 0.000 0.520 442 L N 5.894 127.122 121.223 0.008 0.000 2.316 442 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 442 L C -2.526 174.335 176.870 -0.014 0.000 1.006 442 L CA -1.964 52.875 54.840 -0.001 0.000 0.836 442 L CB 1.392 43.435 42.059 -0.028 0.000 1.221 442 L HN 0.125 nan 8.230 nan 0.000 0.418 443 P HA 0.079 nan 4.420 nan 0.000 0.264 443 P C 0.967 178.262 177.300 -0.009 0.000 1.193 443 P CA 0.573 63.669 63.100 -0.007 0.000 0.763 443 P CB 0.953 32.654 31.700 0.001 0.000 0.810 444 G N 1.562 110.359 108.800 -0.006 0.000 2.189 444 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 444 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 444 G C 0.643 175.527 174.900 -0.026 0.000 0.975 444 G CA 0.425 45.520 45.100 -0.007 0.000 0.644 444 G HN 0.442 nan 8.290 nan 0.000 0.537 445 V N -0.366 119.524 119.914 -0.040 0.000 3.103 445 V HA 0.270 4.390 4.120 -0.000 0.000 0.229 445 V C 1.537 177.586 176.094 -0.075 0.000 1.304 445 V CA 1.215 63.475 62.300 -0.067 0.000 1.298 445 V CB 0.571 32.336 31.823 -0.095 0.000 1.093 445 V HN 0.299 nan 8.190 nan 0.000 0.489 446 S N 1.715 117.377 115.700 -0.063 0.000 2.531 446 S HA 0.189 4.659 4.470 -0.000 0.000 0.279 446 S C -0.381 174.196 174.600 -0.038 0.000 1.305 446 S CA -0.268 57.898 58.200 -0.055 0.000 1.058 446 S CB 0.372 63.551 63.200 -0.035 0.000 0.899 446 S HN 0.376 nan 8.310 nan 0.000 0.493 447 D N 2.419 122.796 120.400 -0.039 0.000 2.533 447 D HA 0.111 4.751 4.640 -0.000 0.000 0.236 447 D C 0.298 176.586 176.300 -0.020 0.000 1.137 447 D CA 0.281 54.264 54.000 -0.028 0.000 0.867 447 D CB 0.436 41.218 40.800 -0.030 0.000 1.170 447 D HN 0.603 nan 8.370 nan 0.000 0.474 448 A N 3.342 126.153 122.820 -0.016 0.000 3.052 448 A HA 0.072 4.392 4.320 -0.000 0.000 0.266 448 A C -0.372 177.205 177.584 -0.012 0.000 1.855 448 A CA -0.271 51.757 52.037 -0.015 0.000 1.473 448 A CB -0.295 18.696 19.000 -0.015 0.000 1.038 448 A HN 0.249 nan 8.150 nan 0.000 0.619 449 D N 1.362 121.757 120.400 -0.009 0.000 2.412 449 D HA 0.587 5.227 4.640 -0.000 0.000 0.224 449 D C -0.393 175.904 176.300 -0.005 0.000 1.093 449 D CA 0.398 54.395 54.000 -0.006 0.000 0.850 449 D CB 0.982 41.780 40.800 -0.004 0.000 1.046 449 D HN 0.390 nan 8.370 nan 0.000 0.507 450 L N 1.001 122.216 121.223 -0.013 0.000 2.393 450 L HA 0.637 4.976 4.340 -0.000 0.000 0.260 450 L C -0.739 176.107 176.870 -0.041 0.000 1.002 450 L CA -1.189 53.641 54.840 -0.015 0.000 0.818 450 L CB 2.429 44.473 42.059 -0.025 0.000 1.369 450 L HN -0.083 nan 8.230 nan 0.000 0.412 451 V N 2.691 122.576 119.914 -0.049 0.000 2.540 451 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 451 V C -0.357 175.644 176.094 -0.155 0.000 1.035 451 V CA -0.351 61.843 62.300 -0.178 0.000 0.873 451 V CB 2.121 33.749 31.823 -0.324 0.000 0.992 451 V HN 0.479 nan 8.190 nan 0.000 0.428 452 I N 3.852 124.306 120.570 -0.194 0.000 2.362 452 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 452 I C -0.398 175.574 176.117 -0.241 0.000 0.994 452 I CA -0.136 61.106 61.300 -0.097 0.000 1.158 452 I CB 1.177 39.143 38.000 -0.057 0.000 1.315 452 I HN 0.567 nan 8.210 nan 0.000 0.451 453 W N 4.448 125.713 121.300 -0.058 0.000 2.116 453 W HA 0.391 5.051 4.660 -0.000 0.000 0.374 453 W C -0.094 176.287 176.519 -0.230 0.000 1.445 453 W CA -0.019 57.248 57.345 -0.129 0.000 1.582 453 W CB 0.119 29.529 29.460 -0.083 0.000 1.263 453 W HN 0.219 nan 8.180 nan 0.000 0.683 454 Y N 1.334 121.706 120.300 0.120 0.000 2.301 454 Y HA 0.256 4.806 4.550 -0.000 0.000 0.328 454 Y C -1.603 174.284 175.900 -0.021 0.000 1.242 454 Y CA -2.161 55.883 58.100 -0.094 0.000 1.323 454 Y CB -0.453 37.888 38.460 -0.198 0.000 1.266 454 Y HN -0.103 nan 8.280 nan 0.000 0.527 455 P HA 0.006 nan 4.420 nan 0.000 0.268 455 P C -0.255 177.118 177.300 0.121 0.000 1.205 455 P CA 0.169 63.318 63.100 0.082 0.000 0.771 455 P CB 0.906 32.674 31.700 0.113 0.000 0.858 456 D N 1.064 121.515 120.400 0.085 0.000 2.216 456 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 456 D C 0.334 176.679 176.300 0.075 0.000 0.960 456 D CA 1.419 55.485 54.000 0.110 0.000 0.861 456 D CB -0.055 40.822 40.800 0.128 0.000 0.985 456 D HN 0.402 nan 8.370 nan 0.000 0.493 457 D N -0.249 120.181 120.400 0.050 0.000 2.368 457 D HA 0.039 4.679 4.640 -0.000 0.000 0.218 457 D C 0.112 176.445 176.300 0.055 0.000 1.112 457 D CA 0.027 54.051 54.000 0.040 0.000 0.834 457 D CB 0.475 41.287 40.800 0.020 0.000 0.953 457 D HN -0.136 nan 8.370 nan 0.000 0.505 458 S N 0.335 116.089 115.700 0.090 0.000 2.584 458 S HA 0.113 4.583 4.470 -0.000 0.000 0.273 458 S C 1.176 175.830 174.600 0.090 0.000 1.311 458 S CA -0.400 57.866 58.200 0.110 0.000 1.034 458 S CB 0.802 64.123 63.200 0.201 0.000 0.939 458 S HN -0.082 nan 8.310 nan 0.000 0.513 459 K N 2.244 122.677 120.400 0.056 0.000 2.393 459 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 459 K C 0.505 177.107 176.600 0.003 0.000 1.026 459 K CA 0.022 56.327 56.287 0.029 0.000 1.064 459 K CB 0.028 32.536 32.500 0.013 0.000 0.833 459 K HN 0.532 nan 8.250 nan 0.000 0.521 460 K N 1.894 122.292 120.400 -0.004 0.000 2.355 460 K HA -0.006 4.314 4.320 -0.000 0.000 0.270 460 K C -0.136 176.332 176.600 -0.221 0.000 1.003 460 K CA 0.216 56.424 56.287 -0.133 0.000 0.957 460 K CB 0.621 33.011 32.500 -0.184 0.000 0.939 460 K HN -0.113 nan 8.250 nan 0.000 0.482 461 E N 2.845 122.856 120.200 -0.315 0.000 2.197 461 E HA 0.142 4.492 4.350 -0.000 0.000 0.281 461 E C -1.235 175.098 176.600 -0.445 0.000 0.995 461 E CA -0.329 55.923 56.400 -0.247 0.000 0.808 461 E CB 0.993 30.612 29.700 -0.135 0.000 1.093 461 E HN 0.412 nan 8.360 nan 0.000 0.394 462 Y N 2.435 122.724 120.300 -0.019 0.000 2.555 462 Y HA 0.176 4.726 4.550 -0.000 0.000 0.326 462 Y C 1.022 176.881 175.900 -0.068 0.000 0.984 462 Y CA -0.721 57.369 58.100 -0.016 0.000 1.298 462 Y CB 0.721 39.169 38.460 -0.019 0.000 1.094 462 Y HN 0.343 nan 8.280 nan 0.000 0.500 463 N N 0.347 119.080 118.700 0.054 0.000 2.348 463 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 463 N C 1.761 177.271 175.510 0.001 0.000 1.019 463 N CA 1.629 54.685 53.050 0.010 0.000 0.880 463 N CB 0.013 38.499 38.487 -0.002 0.000 0.965 463 N HN 0.600 nan 8.380 nan 0.000 0.437 464 S N -0.956 114.766 115.700 0.038 0.000 2.524 464 S HA 0.049 4.519 4.470 -0.000 0.000 0.216 464 S C 0.761 175.332 174.600 -0.049 0.000 0.987 464 S CA -0.198 58.009 58.200 0.012 0.000 0.909 464 S CB 0.265 63.503 63.200 0.062 0.000 0.781 464 S HN 0.092 nan 8.310 nan 0.000 0.521 465 K N 4.004 124.296 120.400 -0.179 0.000 2.349 465 K HA 0.258 4.578 4.320 -0.000 0.000 0.289 465 K C -2.556 173.898 176.600 -0.243 0.000 1.064 465 K CA -1.928 54.078 56.287 -0.468 0.000 0.947 465 K CB 0.508 32.454 32.500 -0.923 0.000 1.007 465 K HN 0.209 nan 8.250 nan 0.000 0.478 466 P HA 0.109 nan 4.420 nan 0.000 0.275 466 P C -0.678 176.552 177.300 -0.117 0.000 1.227 466 P CA -0.211 62.767 63.100 -0.202 0.000 0.781 466 P CB 1.237 32.709 31.700 -0.380 0.000 0.906 467 K N 1.087 121.440 120.400 -0.079 0.000 2.242 467 K HA 0.178 4.498 4.320 -0.000 0.000 0.200 467 K C 0.590 177.193 176.600 0.004 0.000 1.050 467 K CA 0.634 56.906 56.287 -0.026 0.000 0.981 467 K CB 0.047 32.537 32.500 -0.017 0.000 0.795 467 K HN 0.384 nan 8.250 nan 0.000 0.477 468 L N 0.587 121.797 121.223 -0.022 0.000 2.350 468 L HA 0.443 4.783 4.340 -0.000 0.000 0.260 468 L C -0.529 176.324 176.870 -0.029 0.000 1.015 468 L CA -1.029 53.820 54.840 0.015 0.000 0.821 468 L CB 2.107 44.181 42.059 0.026 0.000 1.370 468 L HN -0.102 nan 8.230 nan 0.000 0.416 469 I N 1.385 121.983 120.570 0.046 0.000 2.416 469 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 469 I C 0.259 176.398 176.117 0.036 0.000 1.051 469 I CA 0.285 61.606 61.300 0.036 0.000 1.375 469 I CB 1.207 39.322 38.000 0.193 0.000 1.407 469 I HN 0.697 nan 8.210 nan 0.000 0.516 470 T N 0.844 115.382 114.554 -0.027 0.000 2.916 470 T HA 0.278 4.628 4.350 -0.000 0.000 0.292 470 T C 0.503 175.202 174.700 -0.003 0.000 1.064 470 T CA -0.855 61.245 62.100 0.000 0.000 1.011 470 T CB 1.666 70.517 68.868 -0.028 0.000 1.152 470 T HN 0.453 nan 8.240 nan 0.000 0.510 471 N N 0.413 119.136 118.700 0.038 0.000 2.166 471 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 471 N C 1.714 177.221 175.510 -0.004 0.000 1.019 471 N CA 1.430 54.513 53.050 0.055 0.000 0.856 471 N CB -0.274 38.302 38.487 0.149 0.000 0.993 471 N HN 0.688 nan 8.380 nan 0.000 0.426 472 K N -0.182 120.216 120.400 -0.004 0.000 2.063 472 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 472 K C 1.797 178.365 176.600 -0.054 0.000 1.048 472 K CA 0.952 57.230 56.287 -0.015 0.000 0.928 472 K CB -0.286 32.205 32.500 -0.016 0.000 0.713 472 K HN 0.186 nan 8.250 nan 0.000 0.442 473 L N 1.075 122.236 121.223 -0.103 0.000 2.187 473 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 473 L C 1.943 178.753 176.870 -0.100 0.000 1.100 473 L CA 1.432 56.177 54.840 -0.158 0.000 0.765 473 L CB -0.192 41.661 42.059 -0.342 0.000 0.904 473 L HN 0.237 nan 8.230 nan 0.000 0.437 474 M N -0.949 118.553 119.600 -0.163 0.000 2.319 474 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 474 M C 0.706 176.868 176.300 -0.231 0.000 1.068 474 M CA 0.651 55.777 55.300 -0.290 0.000 1.118 474 M CB -0.733 31.348 32.600 -0.865 0.000 1.395 474 M HN 0.235 nan 8.290 nan 0.000 0.435 475 E N 1.000 121.128 120.200 -0.120 0.000 2.586 475 E HA -0.223 4.127 4.350 -0.000 0.000 0.259 475 E C 0.095 176.727 176.600 0.054 0.000 1.107 475 E CA 0.886 57.270 56.400 -0.026 0.000 0.754 475 E CB -2.475 27.192 29.700 -0.055 0.000 1.335 475 E HN 0.825 nan 8.360 nan 0.000 0.411 476 H N -2.337 116.738 119.070 0.008 0.000 2.810 476 H HA 0.525 5.081 4.556 -0.000 0.000 0.316 476 H C 0.787 176.093 175.328 -0.038 0.000 1.426 476 H CA -0.765 55.292 56.048 0.015 0.000 1.413 476 H CB 0.891 30.678 29.762 0.042 0.000 1.874 476 H HN -0.113 nan 8.280 nan 0.000 0.737 477 N N -0.613 118.014 118.700 -0.121 0.000 2.353 477 N HA 0.035 4.775 4.740 -0.000 0.000 0.185 477 N C -0.368 174.938 175.510 -0.340 0.000 1.098 477 N CA -0.173 52.669 53.050 -0.347 0.000 0.872 477 N CB 0.058 38.058 38.487 -0.812 0.000 0.970 477 N HN 0.472 nan 8.380 nan 0.000 0.467 478 C N 0.845 119.749 119.300 -0.660 0.000 2.656 478 C HA 0.135 4.595 4.460 -0.000 0.000 0.391 478 C C 1.299 176.155 174.990 -0.224 0.000 1.300 478 C CA -0.351 58.331 59.018 -0.561 0.000 2.302 478 C CB 0.239 27.479 27.740 -0.833 0.000 2.655 478 C HN 0.613 nan 8.230 nan 0.000 0.656 479 D N 0.501 120.933 120.400 0.055 0.000 2.349 479 D HA 0.139 4.779 4.640 -0.000 0.000 0.214 479 D C -0.268 176.301 176.300 0.448 0.000 1.063 479 D CA 0.262 54.414 54.000 0.254 0.000 0.847 479 D CB -0.247 40.748 40.800 0.325 0.000 0.933 479 D HN 0.733 nan 8.370 nan 0.000 0.513 480 Y N -2.237 118.197 120.300 0.223 0.000 2.609 480 Y HA 0.606 5.156 4.550 -0.000 0.000 0.336 480 Y C -1.442 174.586 175.900 0.214 0.000 1.129 480 Y CA -1.304 56.940 58.100 0.240 0.000 1.040 480 Y CB 1.330 39.921 38.460 0.218 0.000 1.310 480 Y HN -0.162 nan 8.280 nan 0.000 0.460 481 T N 3.402 118.013 114.554 0.094 0.000 2.861 481 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 481 T C -2.248 172.508 174.700 0.094 0.000 1.003 481 T CA -2.344 59.739 62.100 -0.029 0.000 0.977 481 T CB 1.661 70.598 68.868 0.116 0.000 0.996 481 T HN 0.594 nan 8.240 nan 0.000 0.448 482 P HA 0.021 nan 4.420 nan 0.000 0.222 482 P C 0.761 177.965 177.300 -0.161 0.000 1.147 482 P CA 1.018 64.053 63.100 -0.109 0.000 0.790 482 P CB -0.101 31.355 31.700 -0.407 0.000 0.780 483 F N -0.393 119.673 119.950 0.194 0.000 2.664 483 F HA 0.217 4.744 4.527 -0.000 0.000 0.301 483 F C 1.057 176.946 175.800 0.149 0.000 1.126 483 F CA -0.792 57.300 58.000 0.153 0.000 1.373 483 F CB -0.637 38.440 39.000 0.129 0.000 1.042 483 F HN -0.148 nan 8.300 nan 0.000 0.535 484 E N 0.986 121.336 120.200 0.251 0.000 2.558 484 E HA 0.254 4.604 4.350 -0.000 0.000 0.255 484 E C 1.274 177.980 176.600 0.176 0.000 0.968 484 E CA 1.127 57.645 56.400 0.197 0.000 0.939 484 E CB 0.202 30.015 29.700 0.187 0.000 0.921 484 E HN 0.479 nan 8.360 nan 0.000 0.477 485 G N 3.608 112.495 108.800 0.145 0.000 2.217 485 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.246 485 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.246 485 G C 0.493 175.476 174.900 0.138 0.000 0.990 485 G CA 0.133 45.307 45.100 0.123 0.000 0.627 485 G HN 0.835 nan 8.290 nan 0.000 0.522 486 I N -0.815 119.864 120.570 0.182 0.000 2.581 486 I HA 0.662 4.832 4.170 -0.000 0.000 0.288 486 I C 0.325 176.559 176.117 0.195 0.000 1.047 486 I CA -0.873 60.551 61.300 0.207 0.000 1.374 486 I CB 0.737 38.895 38.000 0.263 0.000 1.423 486 I HN 0.117 nan 8.210 nan 0.000 0.549 487 E N 4.597 124.912 120.200 0.192 0.000 2.376 487 E HA 0.255 4.605 4.350 -0.000 0.000 0.266 487 E C -0.844 175.877 176.600 0.201 0.000 1.009 487 E CA -0.136 56.355 56.400 0.153 0.000 0.902 487 E CB 1.634 31.398 29.700 0.106 0.000 0.972 487 E HN 0.499 nan 8.360 nan 0.000 0.439 488 I N 2.521 123.192 120.570 0.169 0.000 2.466 488 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 488 I C 0.361 176.572 176.117 0.158 0.000 1.026 488 I CA -0.217 61.216 61.300 0.221 0.000 1.078 488 I CB 1.290 39.500 38.000 0.351 0.000 1.249 488 I HN 0.346 nan 8.210 nan 0.000 0.429 489 K N 4.283 124.760 120.400 0.128 0.000 2.379 489 K HA 0.254 4.574 4.320 -0.000 0.000 0.194 489 K C 0.140 176.827 176.600 0.144 0.000 1.031 489 K CA 0.137 56.481 56.287 0.095 0.000 1.037 489 K CB 0.152 32.671 32.500 0.032 0.000 0.824 489 K HN 0.526 nan 8.250 nan 0.000 0.516 490 N N -0.682 118.140 118.700 0.204 0.000 2.710 490 N HA 0.182 4.922 4.740 -0.000 0.000 0.257 490 N C -2.095 173.695 175.510 0.466 0.000 1.327 490 N CA -0.462 52.715 53.050 0.212 0.000 0.861 490 N CB 1.920 40.318 38.487 -0.148 0.000 1.532 490 N HN -0.023 nan 8.380 nan 0.000 0.499 491 W N 2.283 123.792 121.300 0.348 0.000 3.107 491 W HA 0.425 5.085 4.660 -0.000 0.000 0.331 491 W C -2.618 173.990 176.519 0.149 0.000 1.204 491 W CA -1.435 56.092 57.345 0.303 0.000 1.184 491 W CB 1.940 31.526 29.460 0.210 0.000 1.421 491 W HN 0.325 nan 8.180 nan 0.000 0.544 492 P HA -0.032 nan 4.420 nan 0.000 0.262 492 P C 0.307 177.557 177.300 -0.083 0.000 1.182 492 P CA 0.749 63.457 63.100 -0.653 0.000 0.761 492 P CB 0.759 32.046 31.700 -0.688 0.000 0.795 493 R N 2.665 122.923 120.500 -0.403 0.000 2.128 493 R HA 0.060 4.400 4.340 -0.000 0.000 0.211 493 R C -0.123 175.889 176.300 -0.481 0.000 1.067 493 R CA 0.839 56.554 56.100 -0.641 0.000 1.010 493 R CB 0.263 29.870 30.300 -1.154 0.000 0.922 493 R HN 0.417 nan 8.270 nan 0.000 0.457 494 Y N -0.483 119.656 120.300 -0.268 0.000 2.442 494 Y HA 0.338 4.888 4.550 -0.000 0.000 0.344 494 Y C -0.835 174.992 175.900 -0.121 0.000 0.976 494 Y CA -0.850 57.161 58.100 -0.148 0.000 1.040 494 Y CB 2.554 40.928 38.460 -0.143 0.000 1.228 494 Y HN -0.201 nan 8.280 nan 0.000 0.451 495 T N 4.895 119.532 114.554 0.138 0.000 2.791 495 T HA 0.593 4.942 4.350 -0.000 0.000 0.288 495 T C -0.435 174.311 174.700 0.077 0.000 0.999 495 T CA -0.423 61.707 62.100 0.050 0.000 0.952 495 T CB 0.296 69.175 68.868 0.019 0.000 0.938 495 T HN 0.349 nan 8.240 nan 0.000 0.444 496 I N 3.282 123.871 120.570 0.032 0.000 2.339 496 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 496 I C -0.493 175.634 176.117 0.017 0.000 0.994 496 I CA -0.839 60.479 61.300 0.031 0.000 1.191 496 I CB 1.577 39.579 38.000 0.004 0.000 1.343 496 I HN 0.283 nan 8.210 nan 0.000 0.458 497 V N 6.551 126.482 119.914 0.028 0.000 2.444 497 V HA 0.294 4.414 4.120 -0.000 0.000 0.294 497 V C 0.183 176.286 176.094 0.015 0.000 1.022 497 V CA -1.042 61.270 62.300 0.020 0.000 0.850 497 V CB 1.318 33.162 31.823 0.035 0.000 0.992 497 V HN 0.750 nan 8.190 nan 0.000 0.426 498 K N 3.964 124.366 120.400 0.004 0.000 3.156 498 K HA -0.256 4.064 4.320 -0.000 0.000 0.266 498 K C 1.135 177.737 176.600 0.004 0.000 0.966 498 K CA 0.676 56.963 56.287 -0.001 0.000 0.719 498 K CB -1.380 31.117 32.500 -0.004 0.000 1.333 498 K HN 1.557 nan 8.250 nan 0.000 0.468 499 G N -0.438 108.363 108.800 0.003 0.000 2.205 499 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.261 499 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.261 499 G C -0.150 174.756 174.900 0.011 0.000 0.980 499 G CA 0.747 45.850 45.100 0.004 0.000 0.632 499 G HN 0.317 nan 8.290 nan 0.000 0.533 500 K N 0.216 120.628 120.400 0.020 0.000 2.270 500 K HA 0.586 4.906 4.320 -0.000 0.000 0.255 500 K C 0.133 176.764 176.600 0.051 0.000 0.936 500 K CA -1.026 55.281 56.287 0.032 0.000 0.809 500 K CB 2.145 34.664 32.500 0.032 0.000 1.131 500 K HN 0.198 nan 8.250 nan 0.000 0.427 501 I N 2.991 123.601 120.570 0.067 0.000 2.483 501 I HA -0.076 4.094 4.170 -0.000 0.000 0.291 501 I C 1.079 177.259 176.117 0.106 0.000 1.112 501 I CA -0.052 61.311 61.300 0.104 0.000 1.350 501 I CB 0.308 38.391 38.000 0.138 0.000 1.419 501 I HN 0.384 nan 8.210 nan 0.000 0.523 502 V N 6.521 126.512 119.914 0.129 0.000 3.565 502 V HA 0.038 4.157 4.120 -0.000 0.000 0.260 502 V C -0.197 176.031 176.094 0.223 0.000 1.231 502 V CA 0.228 62.627 62.300 0.165 0.000 1.100 502 V CB -0.402 31.525 31.823 0.173 0.000 0.807 502 V HN 0.637 nan 8.190 nan 0.000 0.454 503 Y N 1.204 121.519 120.300 0.025 0.000 2.361 503 Y HA 0.594 5.144 4.550 -0.000 0.000 0.328 503 Y C -0.554 175.306 175.900 -0.068 0.000 1.044 503 Y CA -1.398 56.693 58.100 -0.015 0.000 1.085 503 Y CB 1.483 39.926 38.460 -0.028 0.000 1.194 503 Y HN -0.006 nan 8.280 nan 0.000 0.438 504 K N 5.383 125.484 120.400 -0.499 0.000 2.613 504 K HA 0.309 4.629 4.320 -0.000 0.000 0.248 504 K C -0.818 175.380 176.600 -0.670 0.000 0.959 504 K CA -0.337 55.587 56.287 -0.604 0.000 0.855 504 K CB 0.856 33.126 32.500 -0.385 0.000 1.143 504 K HN 0.863 nan 8.250 nan 0.000 0.437 505 E N 2.605 122.407 120.200 -0.663 0.000 2.297 505 E HA -0.282 4.068 4.350 -0.000 0.000 0.228 505 E C 0.455 176.863 176.600 -0.320 0.000 1.213 505 E CA 0.832 57.020 56.400 -0.353 0.000 0.712 505 E CB -1.340 28.218 29.700 -0.238 0.000 1.202 505 E HN 1.175 nan 8.360 nan 0.000 0.376 506 G N -0.499 107.979 108.800 -0.536 0.000 2.213 506 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.236 506 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.236 506 G C -0.064 174.675 174.900 -0.268 0.000 0.991 506 G CA 0.248 45.176 45.100 -0.286 0.000 0.629 506 G HN 0.234 nan 8.290 nan 0.000 0.517 507 E N 0.685 120.621 120.200 -0.441 0.000 2.166 507 E HA 0.515 4.865 4.350 -0.000 0.000 0.275 507 E C 0.165 176.703 176.600 -0.103 0.000 0.941 507 E CA -0.760 55.528 56.400 -0.187 0.000 0.784 507 E CB 1.651 31.269 29.700 -0.137 0.000 1.115 507 E HN 0.232 nan 8.360 nan 0.000 0.399 508 I N 3.608 124.248 120.570 0.117 0.000 2.416 508 I HA 0.119 4.289 4.170 -0.000 0.000 0.288 508 I C 0.411 176.609 176.117 0.135 0.000 1.051 508 I CA -0.362 61.053 61.300 0.192 0.000 1.375 508 I CB 0.408 38.483 38.000 0.124 0.000 1.407 508 I HN 0.321 nan 8.210 nan 0.000 0.516 509 L N 7.148 128.462 121.223 0.152 0.000 2.353 509 L HA 0.284 4.624 4.340 -0.000 0.000 0.269 509 L C 1.493 178.463 176.870 0.166 0.000 1.085 509 L CA -0.378 54.535 54.840 0.123 0.000 0.938 509 L CB 0.372 42.480 42.059 0.082 0.000 1.312 509 L HN 0.646 nan 8.230 nan 0.000 0.429 510 K N 1.851 122.366 120.400 0.192 0.000 2.160 510 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 510 K C 1.438 178.064 176.600 0.044 0.000 1.047 510 K CA 1.635 58.033 56.287 0.185 0.000 0.930 510 K CB 0.262 32.872 32.500 0.182 0.000 0.720 510 K HN 0.585 nan 8.250 nan 0.000 0.450 511 E N -0.003 120.224 120.200 0.045 0.000 2.267 511 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 511 E C 1.002 177.607 176.600 0.009 0.000 0.998 511 E CA 0.841 57.251 56.400 0.017 0.000 0.830 511 E CB 0.037 29.751 29.700 0.025 0.000 0.751 511 E HN 0.331 nan 8.360 nan 0.000 0.491 512 N N 0.030 118.747 118.700 0.028 0.000 2.280 512 N HA 0.082 4.822 4.740 -0.000 0.000 0.192 512 N C -0.524 174.991 175.510 0.009 0.000 1.109 512 N CA 0.122 53.188 53.050 0.028 0.000 0.855 512 N CB 0.636 39.155 38.487 0.054 0.000 0.974 512 N HN 0.004 nan 8.380 nan 0.000 0.482 513 A N 0.802 123.595 122.820 -0.046 0.000 2.444 513 A HA 0.193 4.513 4.320 -0.000 0.000 0.273 513 A C 0.173 177.682 177.584 -0.125 0.000 1.136 513 A CA 0.116 52.061 52.037 -0.154 0.000 0.799 513 A CB -0.114 18.568 19.000 -0.530 0.000 1.081 513 A HN 0.136 nan 8.150 nan 0.000 0.509 514 D N 1.932 122.290 120.400 -0.070 0.000 2.785 514 D HA 0.248 4.888 4.640 -0.000 0.000 0.324 514 D C 0.697 176.986 176.300 -0.017 0.000 1.523 514 D CA 0.470 54.445 54.000 -0.042 0.000 0.789 514 D CB -0.152 40.635 40.800 -0.021 0.000 1.171 514 D HN 0.691 nan 8.370 nan 0.000 0.447 515 G N 1.065 109.857 108.800 -0.014 0.000 2.491 515 G HA2 0.345 4.305 3.960 -0.000 0.000 0.238 515 G HA3 0.345 4.305 3.960 -0.000 0.000 0.238 515 G C -0.159 174.778 174.900 0.062 0.000 1.277 515 G CA -0.077 45.042 45.100 0.031 0.000 0.851 515 G HN 0.157 nan 8.290 nan 0.000 0.573 516 K N -0.058 120.375 120.400 0.055 0.000 2.444 516 K HA 0.236 4.556 4.320 -0.000 0.000 0.252 516 K C -1.261 175.312 176.600 -0.044 0.000 0.993 516 K CA -0.971 55.349 56.287 0.054 0.000 0.847 516 K CB 2.241 34.748 32.500 0.011 0.000 1.340 516 K HN 0.522 nan 8.250 nan 0.000 0.446 517 Y N 1.656 121.822 120.300 -0.224 0.000 2.610 517 Y HA 0.103 4.653 4.550 -0.000 0.000 0.332 517 Y C -0.700 174.990 175.900 -0.349 0.000 1.201 517 Y CA -0.115 57.627 58.100 -0.596 0.000 1.465 517 Y CB 0.375 38.577 38.460 -0.429 0.000 1.283 517 Y HN 0.330 nan 8.280 nan 0.000 0.563 518 L N 7.446 127.881 121.223 -1.313 0.000 2.280 518 L HA 0.392 4.732 4.340 -0.000 0.000 0.287 518 L C -0.855 175.398 176.870 -1.029 0.000 1.023 518 L CA -0.654 53.664 54.840 -0.870 0.000 0.819 518 L CB 0.743 42.471 42.059 -0.552 0.000 1.212 518 L HN 0.590 nan 8.230 nan 0.000 0.420 519 K N 5.416 125.496 120.400 -0.534 0.000 2.322 519 K HA 0.364 4.684 4.320 -0.000 0.000 0.283 519 K C -0.383 176.098 176.600 -0.198 0.000 1.042 519 K CA -0.190 55.943 56.287 -0.256 0.000 0.958 519 K CB 0.829 33.273 32.500 -0.095 0.000 0.984 519 K HN 0.548 nan 8.250 nan 0.000 0.473 520 R N 0.798 121.220 120.500 -0.130 0.000 2.787 520 R HA 0.392 4.732 4.340 -0.000 0.000 0.271 520 R C 0.395 176.737 176.300 0.070 0.000 0.993 520 R CA -0.845 55.221 56.100 -0.056 0.000 0.993 520 R CB 1.518 31.776 30.300 -0.070 0.000 1.155 520 R HN 0.708 nan 8.270 nan 0.000 0.486 521 G N 0.753 109.611 108.800 0.097 0.000 2.537 521 G HA2 0.241 4.201 3.960 -0.000 0.000 0.297 521 G HA3 0.241 4.201 3.960 -0.000 0.000 0.297 521 G C -0.658 174.315 174.900 0.122 0.000 1.310 521 G CA -0.576 44.641 45.100 0.194 0.000 1.027 521 G HN 0.199 nan 8.290 nan 0.000 0.505 522 K N 0.375 120.808 120.400 0.056 0.000 2.249 522 K HA 0.269 4.589 4.320 -0.000 0.000 0.280 522 K C 0.358 176.950 176.600 -0.013 0.000 1.033 522 K CA -0.177 56.065 56.287 -0.075 0.000 0.946 522 K CB 1.510 33.941 32.500 -0.115 0.000 1.005 522 K HN 0.356 nan 8.250 nan 0.000 0.469 523 S N 2.051 117.707 115.700 -0.074 0.000 2.549 523 S HA 0.097 4.566 4.470 -0.000 0.000 0.279 523 S C 1.176 175.718 174.600 -0.097 0.000 1.321 523 S CA -0.608 57.504 58.200 -0.147 0.000 1.054 523 S CB 0.075 63.108 63.200 -0.279 0.000 0.899 523 S HN 0.444 nan 8.310 nan 0.000 0.497 524 F N 3.707 123.635 119.950 -0.037 0.000 2.558 524 F HA 0.205 4.731 4.527 -0.000 0.000 0.298 524 F C 1.587 177.366 175.800 -0.036 0.000 1.119 524 F CA 0.521 58.506 58.000 -0.025 0.000 1.451 524 F CB -0.522 38.473 39.000 -0.009 0.000 1.091 524 F HN 0.495 nan 8.300 nan 0.000 0.563 525 M N -0.459 118.774 119.600 -0.611 0.000 2.492 525 M HA -0.009 4.471 4.480 -0.000 0.000 0.262 525 M C 0.690 176.942 176.300 -0.080 0.000 1.090 525 M CA 0.565 55.638 55.300 -0.378 0.000 1.110 525 M CB -0.257 31.901 32.600 -0.738 0.000 1.407 525 M HN 0.292 nan 8.290 nan 0.000 0.470 526 C N 0.776 120.021 119.300 -0.091 0.000 2.778 526 C HA 0.176 4.636 4.460 -0.000 0.000 0.294 526 C C 1.375 176.377 174.990 0.021 0.000 1.331 526 C CA -0.691 58.330 59.018 0.006 0.000 1.741 526 C CB -1.671 26.050 27.740 -0.031 0.000 2.106 526 C HN 0.461 nan 8.230 nan 0.000 0.603 527 T N 0.544 115.117 114.554 0.030 0.000 2.918 527 T HA 0.334 4.684 4.350 -0.000 0.000 0.302 527 T C -2.355 172.356 174.700 0.018 0.000 1.045 527 T CA -0.964 61.157 62.100 0.035 0.000 1.114 527 T CB 0.758 69.659 68.868 0.055 0.000 0.965 527 T HN 0.158 nan 8.240 nan 0.000 0.540 528 P HA 0.262 nan 4.420 nan 0.000 0.274 528 P C 0.505 177.766 177.300 -0.066 0.000 1.231 528 P CA -0.671 62.400 63.100 -0.047 0.000 0.790 528 P CB 0.909 32.583 31.700 -0.043 0.000 0.951 529 K N 1.293 121.618 120.400 -0.125 0.000 2.283 529 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 529 K C 0.220 176.739 176.600 -0.135 0.000 1.048 529 K CA 0.485 56.697 56.287 -0.124 0.000 0.948 529 K CB -0.620 31.786 32.500 -0.156 0.000 0.742 529 K HN 0.505 nan 8.250 nan 0.000 0.458 530 N N 1.265 119.847 118.700 -0.195 0.000 2.758 530 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 530 N C -0.722 174.648 175.510 -0.234 0.000 1.076 530 N CA 0.757 53.716 53.050 -0.152 0.000 0.696 530 N CB -1.043 37.446 38.487 0.003 0.000 0.979 530 N HN 0.315 nan 8.380 nan 0.000 0.550 531 E N -0.471 119.423 120.200 -0.509 0.000 2.210 531 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 531 E C -1.109 175.134 176.600 -0.594 0.000 0.883 531 E CA -0.433 55.753 56.400 -0.355 0.000 0.761 531 E CB 1.060 30.627 29.700 -0.222 0.000 1.156 531 E HN 0.193 nan 8.360 nan 0.000 0.412 532 W N 2.831 124.139 121.300 0.013 0.000 2.882 532 W HA 0.358 5.018 4.660 -0.000 0.000 0.345 532 W C 0.564 177.113 176.519 0.050 0.000 1.125 532 W CA -0.775 56.595 57.345 0.043 0.000 1.167 532 W CB 1.127 30.611 29.460 0.040 0.000 1.431 532 W HN 0.273 nan 8.180 nan 0.000 0.543 533 V N 0.588 120.707 119.914 0.341 0.000 2.535 533 V HA -0.048 4.072 4.120 -0.000 0.000 0.246 533 V C 0.938 177.150 176.094 0.197 0.000 1.045 533 V CA 1.978 64.404 62.300 0.210 0.000 1.058 533 V CB -0.643 31.288 31.823 0.180 0.000 0.689 533 V HN 0.703 nan 8.190 nan 0.000 0.461 534 T N -2.155 112.550 114.554 0.253 0.000 2.807 534 T HA 0.318 4.668 4.350 -0.000 0.000 0.277 534 T C 0.862 175.655 174.700 0.154 0.000 1.006 534 T CA 0.037 62.245 62.100 0.179 0.000 1.006 534 T CB 1.782 70.747 68.868 0.162 0.000 1.274 534 T HN 0.414 nan 8.240 nan 0.000 0.569 535 E N -0.862 119.393 120.200 0.093 0.000 2.418 535 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 535 E C 0.219 176.791 176.600 -0.048 0.000 1.026 535 E CA -0.421 55.990 56.400 0.019 0.000 0.862 535 E CB -0.160 29.549 29.700 0.015 0.000 0.799 535 E HN 0.634 nan 8.360 nan 0.000 0.518 536 W N 2.659 123.859 121.300 -0.166 0.000 2.223 536 W HA 0.059 4.719 4.660 -0.000 0.000 0.334 536 W C -0.219 175.979 176.519 -0.535 0.000 1.334 536 W CA -0.004 57.189 57.345 -0.253 0.000 1.246 536 W CB 0.564 29.922 29.460 -0.170 0.000 1.184 536 W HN -0.153 nan 8.180 nan 0.000 0.563 537 R N 5.828 125.394 120.500 -1.557 0.000 2.744 537 R HA 0.382 4.721 4.340 -0.000 0.000 0.279 537 R C -2.527 172.593 176.300 -1.966 0.000 0.977 537 R CA -2.403 52.575 56.100 -1.870 0.000 0.906 537 R CB 0.894 30.550 30.300 -1.073 0.000 1.197 537 R HN 0.293 nan 8.270 nan 0.000 0.463 538 P HA 0.090 nan 4.420 nan 0.000 0.266 538 P C 0.464 177.414 177.300 -0.583 0.000 1.195 538 P CA -0.076 62.536 63.100 -0.814 0.000 0.768 538 P CB 0.689 31.877 31.700 -0.854 0.000 0.838 539 K N 2.126 122.444 120.400 -0.137 0.000 2.173 539 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 539 K C 1.674 178.230 176.600 -0.073 0.000 1.046 539 K CA 2.030 58.281 56.287 -0.060 0.000 0.929 539 K CB -0.556 32.005 32.500 0.102 0.000 0.720 539 K HN 0.675 nan 8.250 nan 0.000 0.453 540 Y N 0.575 120.854 120.300 -0.035 0.000 2.578 540 Y HA 0.193 4.743 4.550 -0.000 0.000 0.297 540 Y C 0.590 176.446 175.900 -0.075 0.000 1.176 540 Y CA -0.298 57.775 58.100 -0.044 0.000 1.315 540 Y CB -0.179 38.258 38.460 -0.038 0.000 1.031 540 Y HN -0.137 nan 8.280 nan 0.000 0.524 541 E N 0.000 119.903 120.200 -0.495 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.177 56.400 -0.372 0.000 0.976 541 E CB 0.000 29.379 29.700 -0.535 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440