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 2fvk_1_B 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 RCHXXXXXXX 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 0.000 177.221 177.300 -0.132 0.000 1.155 2 P CA 0.000 63.056 63.100 -0.074 0.000 0.800 2 P CB 0.000 31.681 31.700 -0.032 0.000 0.726 3 I N -3.033 117.378 120.570 -0.265 0.000 3.059 3 I HA 0.164 4.334 4.170 0.001 0.000 0.270 3 I C -0.429 175.375 176.117 -0.522 0.000 1.238 3 I CA 0.679 61.711 61.300 -0.447 0.000 1.478 3 I CB -0.220 37.402 38.000 -0.629 0.000 1.097 3 I HN 0.182 nan 8.210 nan 0.000 0.455 4 Y N 1.064 121.357 120.300 -0.011 0.000 2.485 4 Y HA 0.376 4.927 4.550 0.001 0.000 0.345 4 Y C 0.649 176.540 175.900 -0.015 0.000 0.998 4 Y CA -1.158 56.933 58.100 -0.014 0.000 1.059 4 Y CB 1.118 39.569 38.460 -0.016 0.000 1.234 4 Y HN -0.170 nan 8.280 nan 0.000 0.461 5 D N 1.053 121.545 120.400 0.152 0.000 2.144 5 D HA -0.055 4.585 4.640 0.001 0.000 0.200 5 D C -0.263 176.074 176.300 0.061 0.000 0.978 5 D CA 1.638 55.683 54.000 0.075 0.000 0.833 5 D CB 0.424 41.255 40.800 0.051 0.000 0.961 5 D HN 0.240 nan 8.370 nan 0.000 0.470 6 L N 0.103 121.365 121.223 0.064 0.000 2.493 6 L HA 0.403 4.743 4.340 0.001 0.000 0.265 6 L C -1.669 175.191 176.870 -0.018 0.000 0.954 6 L CA -0.449 54.396 54.840 0.009 0.000 0.844 6 L CB 2.288 44.335 42.059 -0.021 0.000 1.302 6 L HN -0.228 nan 8.230 nan 0.000 0.405 7 I N 5.583 126.133 120.570 -0.034 0.000 2.436 7 I HA 0.467 4.638 4.170 0.001 0.000 0.289 7 I C -0.761 175.300 176.117 -0.094 0.000 1.010 7 I CA -0.498 60.764 61.300 -0.064 0.000 1.098 7 I CB 1.929 39.917 38.000 -0.020 0.000 1.266 7 I HN 0.441 nan 8.210 nan 0.000 0.434 8 I N 6.600 127.104 120.570 -0.111 0.000 2.330 8 I HA 0.360 4.531 4.170 0.001 0.000 0.289 8 I C -0.154 175.905 176.117 -0.097 0.000 1.001 8 I CA -0.478 60.747 61.300 -0.125 0.000 1.193 8 I CB 0.799 38.718 38.000 -0.135 0.000 1.345 8 I HN 0.476 nan 8.210 nan 0.000 0.461 9 K N 4.490 124.837 120.400 -0.087 0.000 2.238 9 K HA 0.484 4.804 4.320 0.001 0.000 0.239 9 K C 0.092 176.660 176.600 -0.053 0.000 0.987 9 K CA -0.878 55.373 56.287 -0.059 0.000 0.857 9 K CB 1.029 33.504 32.500 -0.041 0.000 1.154 9 K HN 0.455 nan 8.250 nan 0.000 0.439 10 N N -0.870 117.808 118.700 -0.037 0.000 2.741 10 N HA -0.146 4.594 4.740 0.001 0.000 0.251 10 N C -0.416 175.072 175.510 -0.036 0.000 1.112 10 N CA 1.295 54.329 53.050 -0.027 0.000 0.750 10 N CB -1.354 37.123 38.487 -0.016 0.000 1.119 10 N HN 0.817 nan 8.380 nan 0.000 0.561 11 G N -0.773 107.998 108.800 -0.049 0.000 2.509 11 G HA2 0.727 4.687 3.960 0.001 0.000 0.328 11 G HA3 0.727 4.687 3.960 0.001 0.000 0.328 11 G C -0.355 174.512 174.900 -0.055 0.000 1.194 11 G CA -0.548 44.523 45.100 -0.048 0.000 0.967 11 G HN 0.117 nan 8.290 nan 0.000 0.488 12 I N 1.431 121.987 120.570 -0.024 0.000 2.354 12 I HA 0.292 4.463 4.170 0.001 0.000 0.286 12 I C 0.139 176.280 176.117 0.040 0.000 1.007 12 I CA -0.789 60.516 61.300 0.008 0.000 1.167 12 I CB 1.079 39.132 38.000 0.089 0.000 1.320 12 I HN 0.279 nan 8.210 nan 0.000 0.458 13 I N 5.250 125.694 120.570 -0.209 0.000 2.533 13 I HA 0.079 4.249 4.170 0.001 0.000 0.284 13 I C 0.311 176.338 176.117 -0.149 0.000 1.109 13 I CA 0.198 61.347 61.300 -0.253 0.000 1.412 13 I CB 0.925 38.581 38.000 -0.574 0.000 1.396 13 I HN 0.565 nan 8.210 nan 0.000 0.543 14 C N 6.719 125.986 119.300 -0.055 0.000 2.345 14 C HA 0.710 5.170 4.460 0.001 0.000 0.323 14 C C 0.637 175.608 174.990 -0.032 0.000 1.276 14 C CA -0.110 58.855 59.018 -0.088 0.000 1.543 14 C CB 0.433 28.010 27.740 -0.272 0.000 2.211 14 C HN 0.948 nan 8.230 nan 0.000 0.493 15 T N 2.034 116.594 114.554 0.010 0.000 2.762 15 T HA 0.634 4.985 4.350 0.001 0.000 0.272 15 T C 0.963 175.668 174.700 0.008 0.000 0.982 15 T CA 0.134 62.256 62.100 0.036 0.000 1.013 15 T CB 1.270 70.192 68.868 0.090 0.000 1.309 15 T HN 0.916 nan 8.240 nan 0.000 0.572 16 A N 0.095 122.929 122.820 0.025 0.000 2.209 16 A HA 0.247 4.567 4.320 0.001 0.000 0.212 16 A C 1.985 179.572 177.584 0.005 0.000 1.158 16 A CA 1.313 53.356 52.037 0.009 0.000 0.742 16 A CB -0.947 18.065 19.000 0.020 0.000 0.790 16 A HN 1.261 nan 8.150 nan 0.000 0.472 17 S N -2.376 113.335 115.700 0.017 0.000 2.744 17 S HA 0.216 4.687 4.470 0.001 0.000 0.265 17 S C -0.430 174.183 174.600 0.022 0.000 1.065 17 S CA -0.372 57.835 58.200 0.012 0.000 1.191 17 S CB 0.384 63.590 63.200 0.010 0.000 1.150 17 S HN 0.279 nan 8.310 nan 0.000 0.646 18 D N 1.101 121.535 120.400 0.056 0.000 2.671 18 D HA 0.540 5.180 4.640 0.001 0.000 0.232 18 D C -1.204 175.196 176.300 0.166 0.000 1.114 18 D CA -0.320 53.747 54.000 0.111 0.000 0.858 18 D CB 2.269 43.150 40.800 0.134 0.000 1.544 18 D HN 0.231 nan 8.370 nan 0.000 0.471 19 I N 2.274 122.960 120.570 0.192 0.000 2.447 19 I HA 0.383 4.554 4.170 0.001 0.000 0.287 19 I C -1.191 175.122 176.117 0.327 0.000 1.023 19 I CA -0.861 60.547 61.300 0.179 0.000 1.083 19 I CB 1.323 39.358 38.000 0.059 0.000 1.245 19 I HN 0.364 nan 8.210 nan 0.000 0.434 20 Y N 4.066 124.405 120.300 0.066 0.000 2.604 20 Y HA 0.764 5.315 4.550 0.001 0.000 0.331 20 Y C -1.049 174.889 175.900 0.064 0.000 1.158 20 Y CA -1.423 56.712 58.100 0.058 0.000 1.056 20 Y CB 0.954 39.434 38.460 0.033 0.000 1.330 20 Y HN 0.529 nan 8.280 nan 0.000 0.457 21 A N 2.214 125.083 122.820 0.082 0.000 2.404 21 A HA 0.840 5.160 4.320 0.001 0.000 0.273 21 A C -0.093 177.496 177.584 0.009 0.000 1.144 21 A CA 0.532 52.567 52.037 -0.003 0.000 0.806 21 A CB -0.603 18.420 19.000 0.037 0.000 1.080 21 A HN 1.835 nan 8.150 nan 0.000 0.509 22 A N 2.942 125.701 122.820 -0.102 0.000 2.586 22 A HA 0.716 5.036 4.320 0.001 0.000 0.290 22 A C -0.911 176.626 177.584 -0.078 0.000 1.086 22 A CA -0.745 51.266 52.037 -0.043 0.000 0.665 22 A CB 0.842 19.853 19.000 0.018 0.000 1.279 22 A HN 0.737 nan 8.150 nan 0.000 0.423 23 E N -0.135 120.039 120.200 -0.044 0.000 2.244 23 E HA 0.693 5.044 4.350 0.001 0.000 0.266 23 E C -1.270 175.285 176.600 -0.075 0.000 0.914 23 E CA -0.642 55.721 56.400 -0.061 0.000 0.794 23 E CB 2.354 32.027 29.700 -0.045 0.000 1.210 23 E HN 0.503 nan 8.360 nan 0.000 0.414 24 I N 1.096 121.607 120.570 -0.098 0.000 2.509 24 I HA 0.511 4.682 4.170 0.001 0.000 0.293 24 I C -0.604 175.410 176.117 -0.172 0.000 1.020 24 I CA -0.893 60.334 61.300 -0.121 0.000 1.088 24 I CB 1.966 39.905 38.000 -0.102 0.000 1.267 24 I HN 0.465 nan 8.210 nan 0.000 0.430 25 A N 5.876 128.536 122.820 -0.266 0.000 2.330 25 A HA 0.853 5.174 4.320 0.001 0.000 0.327 25 A C -0.843 176.542 177.584 -0.332 0.000 1.155 25 A CA -0.539 51.241 52.037 -0.428 0.000 0.803 25 A CB 1.430 19.837 19.000 -0.988 0.000 1.208 25 A HN 0.448 nan 8.150 nan 0.000 0.477 26 V N 2.417 122.213 119.914 -0.198 0.000 2.604 26 V HA 0.609 4.729 4.120 0.001 0.000 0.305 26 V C -0.490 175.620 176.094 0.027 0.000 1.043 26 V CA -0.607 61.647 62.300 -0.078 0.000 0.888 26 V CB 1.949 33.742 31.823 -0.049 0.000 0.995 26 V HN 1.004 nan 8.190 nan 0.000 0.429 27 N N 2.514 121.246 118.700 0.053 0.000 2.367 27 N HA 0.374 5.114 4.740 0.001 0.000 0.278 27 N C -0.255 175.285 175.510 0.051 0.000 1.117 27 N CA -0.453 52.656 53.050 0.098 0.000 0.867 27 N CB 1.331 39.941 38.487 0.205 0.000 1.649 27 N HN 0.617 nan 8.380 nan 0.000 0.479 28 N N 2.073 120.795 118.700 0.037 0.000 2.740 28 N HA -0.174 4.566 4.740 0.001 0.000 0.248 28 N C 0.545 176.059 175.510 0.007 0.000 1.062 28 N CA 2.169 55.230 53.050 0.018 0.000 0.704 28 N CB -1.237 37.260 38.487 0.017 0.000 0.968 28 N HN 1.087 nan 8.380 nan 0.000 0.547 29 G N -1.541 107.262 108.800 0.006 0.000 2.162 29 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 29 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 29 G C 0.026 174.918 174.900 -0.012 0.000 0.976 29 G CA 0.912 46.010 45.100 -0.004 0.000 0.655 29 G HN 0.666 nan 8.290 nan 0.000 0.533 30 K N -0.672 119.721 120.400 -0.011 0.000 2.443 30 K HA 0.606 4.927 4.320 0.001 0.000 0.251 30 K C 0.102 176.684 176.600 -0.030 0.000 0.972 30 K CA -1.021 55.253 56.287 -0.022 0.000 0.833 30 K CB 2.795 35.282 32.500 -0.021 0.000 1.317 30 K HN 0.020 nan 8.250 nan 0.000 0.441 31 V N 3.343 123.233 119.914 -0.041 0.000 2.529 31 V HA -0.046 4.074 4.120 0.001 0.000 0.292 31 V C 0.730 176.790 176.094 -0.057 0.000 1.028 31 V CA 0.454 62.721 62.300 -0.056 0.000 1.074 31 V CB 1.041 32.834 31.823 -0.049 0.000 0.958 31 V HN 0.734 nan 8.190 nan 0.000 0.481 32 Q N 3.369 123.115 119.800 -0.090 0.000 2.423 32 Q HA 0.434 4.774 4.340 0.001 0.000 0.231 32 Q C -0.029 175.915 176.000 -0.094 0.000 0.894 32 Q CA 0.446 56.202 55.803 -0.078 0.000 0.938 32 Q CB 1.088 29.775 28.738 -0.085 0.000 1.079 32 Q HN 0.683 nan 8.270 nan 0.000 0.552 33 L N 0.191 121.327 121.223 -0.146 0.000 2.592 33 L HA 0.469 4.809 4.340 0.001 0.000 0.258 33 L C -1.798 175.011 176.870 -0.101 0.000 0.926 33 L CA -0.366 54.399 54.840 -0.126 0.000 0.885 33 L CB 1.960 43.895 42.059 -0.207 0.000 1.380 33 L HN -0.081 nan 8.230 nan 0.000 0.415 34 I N 4.073 124.620 120.570 -0.039 0.000 2.436 34 I HA 0.850 5.020 4.170 0.001 0.000 0.289 34 I C -0.288 175.840 176.117 0.018 0.000 1.010 34 I CA -0.337 60.962 61.300 -0.001 0.000 1.098 34 I CB 1.884 39.923 38.000 0.065 0.000 1.266 34 I HN 0.700 nan 8.210 nan 0.000 0.434 35 A N 3.865 126.695 122.820 0.017 0.000 2.609 35 A HA 0.790 5.111 4.320 0.001 0.000 0.291 35 A C 0.388 177.994 177.584 0.036 0.000 1.096 35 A CA 0.012 52.066 52.037 0.028 0.000 0.684 35 A CB 1.180 20.185 19.000 0.009 0.000 1.282 35 A HN 0.780 nan 8.150 nan 0.000 0.412 36 A N 0.250 123.096 122.820 0.043 0.000 1.883 36 A HA 0.282 4.603 4.320 0.001 0.000 0.217 36 A C 1.248 178.846 177.584 0.023 0.000 1.186 36 A CA 2.394 54.456 52.037 0.043 0.000 0.624 36 A CB -0.378 18.646 19.000 0.039 0.000 0.822 36 A HN 2.010 nan 8.150 nan 0.000 0.444 37 S N -1.391 114.320 115.700 0.017 0.000 2.668 37 S HA 0.598 5.069 4.470 0.001 0.000 0.277 37 S C -1.186 173.421 174.600 0.012 0.000 1.170 37 S CA -0.647 57.559 58.200 0.011 0.000 0.994 37 S CB 0.568 63.777 63.200 0.015 0.000 1.051 37 S HN 0.260 nan 8.310 nan 0.000 0.484 38 I N 3.429 124.003 120.570 0.006 0.000 2.362 38 I HA 0.301 4.471 4.170 0.001 0.000 0.289 38 I C -0.212 175.924 176.117 0.033 0.000 0.994 38 I CA -0.809 60.503 61.300 0.020 0.000 1.158 38 I CB 1.524 39.520 38.000 -0.008 0.000 1.315 38 I HN 0.578 nan 8.210 nan 0.000 0.451 39 D N 9.670 130.099 120.400 0.049 0.000 2.502 39 D HA -0.010 4.631 4.640 0.001 0.000 0.249 39 D C -1.289 175.040 176.300 0.049 0.000 1.188 39 D CA -1.519 52.507 54.000 0.043 0.000 0.890 39 D CB 1.083 41.908 40.800 0.043 0.000 1.140 39 D HN 0.271 nan 8.370 nan 0.000 0.505 40 P HA -0.167 nan 4.420 nan 0.000 0.222 40 P C 1.156 178.474 177.300 0.031 0.000 1.147 40 P CA 0.837 63.954 63.100 0.028 0.000 0.790 40 P CB -0.011 31.697 31.700 0.014 0.000 0.780 41 S N -0.450 115.266 115.700 0.026 0.000 2.474 41 S HA -0.057 4.413 4.470 0.001 0.000 0.235 41 S C 1.855 176.464 174.600 0.016 0.000 0.997 41 S CA 0.572 58.782 58.200 0.017 0.000 0.949 41 S CB -1.451 61.754 63.200 0.009 0.000 0.766 41 S HN 0.128 nan 8.310 nan 0.000 0.517 42 L N 0.942 122.190 121.223 0.041 0.000 2.554 42 L HA 0.304 4.644 4.340 0.001 0.000 0.226 42 L C 1.338 178.248 176.870 0.068 0.000 1.137 42 L CA 0.153 55.013 54.840 0.033 0.000 0.863 42 L CB -0.571 41.552 42.059 0.106 0.000 0.985 42 L HN 0.449 nan 8.230 nan 0.000 0.451 43 G N -1.704 107.151 108.800 0.092 0.000 2.448 43 G HA2 0.366 4.327 3.960 0.001 0.000 0.324 43 G HA3 0.366 4.327 3.960 0.001 0.000 0.324 43 G C 0.321 175.249 174.900 0.046 0.000 1.203 43 G CA -0.297 44.865 45.100 0.103 0.000 0.954 43 G HN -0.118 nan 8.290 nan 0.000 0.480 44 S N 0.198 115.922 115.700 0.041 0.000 2.371 44 S HA 0.023 4.493 4.470 0.001 0.000 0.224 44 S C 0.791 175.402 174.600 0.018 0.000 1.029 44 S CA 0.953 59.166 58.200 0.022 0.000 0.978 44 S CB 0.047 63.259 63.200 0.020 0.000 0.833 44 S HN 0.656 nan 8.310 nan 0.000 0.466 45 E N 0.303 120.513 120.200 0.018 0.000 2.248 45 E HA 0.533 4.883 4.350 0.001 0.000 0.267 45 E C -1.761 174.831 176.600 -0.012 0.000 0.877 45 E CA -0.422 55.980 56.400 0.003 0.000 0.759 45 E CB 1.978 31.678 29.700 0.000 0.000 1.182 45 E HN -0.095 nan 8.360 nan 0.000 0.418 46 V N 5.093 124.991 119.914 -0.025 0.000 2.531 46 V HA 0.443 4.563 4.120 0.001 0.000 0.301 46 V C -0.392 175.650 176.094 -0.088 0.000 1.034 46 V CA -0.646 61.626 62.300 -0.046 0.000 0.865 46 V CB 1.470 33.280 31.823 -0.022 0.000 0.995 46 V HN 0.628 nan 8.190 nan 0.000 0.424 47 I N 3.538 124.016 120.570 -0.154 0.000 2.339 47 I HA 0.350 4.521 4.170 0.001 0.000 0.290 47 I C -0.422 175.586 176.117 -0.182 0.000 0.994 47 I CA -0.348 60.798 61.300 -0.258 0.000 1.191 47 I CB 1.661 39.350 38.000 -0.518 0.000 1.343 47 I HN 0.545 nan 8.210 nan 0.000 0.458 48 D N 5.666 125.994 120.400 -0.119 0.000 2.365 48 D HA 0.269 4.909 4.640 0.001 0.000 0.237 48 D C 0.826 177.086 176.300 -0.066 0.000 1.190 48 D CA -0.129 53.833 54.000 -0.063 0.000 0.867 48 D CB 1.748 42.542 40.800 -0.009 0.000 1.050 48 D HN 0.641 nan 8.370 nan 0.000 0.491 49 A N 3.982 126.756 122.820 -0.076 0.000 2.119 49 A HA -0.046 4.274 4.320 0.001 0.000 0.217 49 A C 0.891 178.467 177.584 -0.014 0.000 1.153 49 A CA 0.578 52.578 52.037 -0.062 0.000 0.692 49 A CB -0.445 18.517 19.000 -0.063 0.000 0.799 49 A HN 0.807 nan 8.150 nan 0.000 0.458 50 E N -2.814 117.391 120.200 0.009 0.000 2.476 50 E HA -0.253 4.097 4.350 0.001 0.000 0.251 50 E C 0.829 177.446 176.600 0.027 0.000 1.130 50 E CA 0.392 56.820 56.400 0.047 0.000 0.736 50 E CB -2.096 27.675 29.700 0.119 0.000 1.298 50 E HN 1.524 nan 8.360 nan 0.000 0.400 51 G N -1.562 107.231 108.800 -0.012 0.000 2.176 51 G HA2 -0.303 3.658 3.960 0.001 0.000 0.253 51 G HA3 -0.303 3.658 3.960 0.001 0.000 0.253 51 G C 0.416 175.245 174.900 -0.118 0.000 0.979 51 G CA 0.341 45.411 45.100 -0.050 0.000 0.641 51 G HN 0.963 nan 8.290 nan 0.000 0.530 52 A N -0.351 122.423 122.820 -0.078 0.000 2.313 52 A HA 0.726 5.046 4.320 0.001 0.000 0.261 52 A C 0.295 177.829 177.584 -0.082 0.000 1.090 52 A CA -0.284 51.697 52.037 -0.092 0.000 0.807 52 A CB 0.305 19.322 19.000 0.029 0.000 1.055 52 A HN 0.618 nan 8.150 nan 0.000 0.492 53 F N -0.407 119.628 119.950 0.142 0.000 2.471 53 F HA 0.339 4.866 4.527 0.001 0.000 0.353 53 F C 0.353 176.264 175.800 0.184 0.000 1.113 53 F CA 0.393 58.460 58.000 0.112 0.000 1.262 53 F CB 0.644 39.683 39.000 0.064 0.000 1.146 53 F HN 0.242 nan 8.300 nan 0.000 0.578 54 I N 2.279 123.035 120.570 0.311 0.000 2.362 54 I HA 0.273 4.443 4.170 0.001 0.000 0.289 54 I C -0.083 176.145 176.117 0.186 0.000 0.994 54 I CA -0.393 61.030 61.300 0.205 0.000 1.158 54 I CB 1.590 39.624 38.000 0.057 0.000 1.315 54 I HN 0.588 nan 8.210 nan 0.000 0.451 55 T N 3.314 118.016 114.554 0.246 0.000 2.950 55 T HA 0.621 4.971 4.350 0.001 0.000 0.288 55 T C -2.741 172.026 174.700 0.111 0.000 1.035 55 T CA -2.515 59.691 62.100 0.177 0.000 1.028 55 T CB 1.734 70.775 68.868 0.288 0.000 1.109 55 T HN 0.101 nan 8.240 nan 0.000 0.514 56 P HA 0.282 nan 4.420 nan 0.000 0.270 56 P C 0.572 177.907 177.300 0.059 0.000 1.223 56 P CA -0.051 63.082 63.100 0.054 0.000 0.785 56 P CB 0.016 31.749 31.700 0.055 0.000 0.923 57 G N 1.268 110.083 108.800 0.025 0.000 2.491 57 G HA2 0.357 4.318 3.960 0.001 0.000 0.238 57 G HA3 0.357 4.318 3.960 0.001 0.000 0.238 57 G C 0.492 175.407 174.900 0.024 0.000 1.277 57 G CA -0.086 45.016 45.100 0.005 0.000 0.851 57 G HN 0.611 nan 8.290 nan 0.000 0.573 58 G N -0.404 108.406 108.800 0.017 0.000 2.491 58 G HA2 0.398 4.359 3.960 0.001 0.000 0.238 58 G HA3 0.398 4.359 3.960 0.001 0.000 0.238 58 G C -0.159 174.752 174.900 0.018 0.000 1.277 58 G CA -0.468 44.650 45.100 0.030 0.000 0.851 58 G HN 0.628 nan 8.290 nan 0.000 0.573 59 I N 1.581 122.174 120.570 0.039 0.000 2.420 59 I HA 0.150 4.321 4.170 0.001 0.000 0.282 59 I C -0.956 175.195 176.117 0.057 0.000 1.019 59 I CA -0.645 60.678 61.300 0.039 0.000 1.130 59 I CB 1.894 39.928 38.000 0.057 0.000 1.262 59 I HN 0.308 nan 8.210 nan 0.000 0.454 60 D N 5.843 126.265 120.400 0.037 0.000 2.412 60 D HA 0.376 5.017 4.640 0.001 0.000 0.224 60 D C 0.493 176.829 176.300 0.060 0.000 1.093 60 D CA -0.198 53.841 54.000 0.065 0.000 0.850 60 D CB 1.861 42.688 40.800 0.045 0.000 1.046 60 D HN 0.625 nan 8.370 nan 0.000 0.507 61 A N 3.712 126.601 122.820 0.115 0.000 2.370 61 A HA 0.038 4.359 4.320 0.001 0.000 0.238 61 A C 0.425 178.088 177.584 0.130 0.000 1.289 61 A CA -0.022 52.048 52.037 0.054 0.000 0.885 61 A CB -0.299 18.761 19.000 0.099 0.000 0.961 61 A HN 0.655 nan 8.150 nan 0.000 0.499 62 H N -0.750 118.397 119.070 0.128 0.000 2.538 62 H HA 0.508 5.064 4.556 0.001 0.000 0.239 62 H C -1.686 173.803 175.328 0.268 0.000 1.401 62 H CA -0.206 56.006 56.048 0.274 0.000 1.499 62 H CB 0.743 30.685 29.762 0.299 0.000 1.624 62 H HN 0.025 nan 8.280 nan 0.000 0.524 63 V N 3.507 123.567 119.914 0.244 0.000 2.540 63 V HA 0.265 4.386 4.120 0.001 0.000 0.302 63 V C -0.343 175.847 176.094 0.160 0.000 1.035 63 V CA -0.848 61.594 62.300 0.236 0.000 0.873 63 V CB 1.702 33.586 31.823 0.101 0.000 0.992 63 V HN 0.677 nan 8.190 nan 0.000 0.428 64 H N 3.059 122.364 119.070 0.392 0.000 2.504 64 H HA 0.657 5.214 4.556 0.001 0.000 0.322 64 H C -0.785 174.662 175.328 0.198 0.000 1.055 64 H CA -0.287 55.935 56.048 0.291 0.000 1.231 64 H CB 2.283 32.152 29.762 0.179 0.000 1.417 64 H HN 0.378 nan 8.280 nan 0.000 0.472 65 V N 2.328 122.392 119.914 0.251 0.000 2.960 65 V HA 0.014 4.135 4.120 0.001 0.000 0.315 65 V C 0.065 176.260 176.094 0.168 0.000 1.087 65 V CA -0.913 61.470 62.300 0.138 0.000 0.982 65 V CB 2.637 34.436 31.823 -0.040 0.000 1.039 65 V HN 0.726 nan 8.190 nan 0.000 0.437 66 D N 2.013 122.497 120.400 0.140 0.000 2.458 66 D HA 0.344 4.984 4.640 0.001 0.000 0.243 66 D C -0.311 176.126 176.300 0.228 0.000 1.146 66 D CA 0.329 54.423 54.000 0.157 0.000 0.877 66 D CB 0.633 41.512 40.800 0.133 0.000 1.176 66 D HN 0.719 nan 8.370 nan 0.000 0.461 67 E N 2.102 122.407 120.200 0.176 0.000 2.343 67 E HA 0.454 4.805 4.350 0.001 0.000 0.270 67 E C -2.404 174.234 176.600 0.063 0.000 0.895 67 E CA -1.672 54.812 56.400 0.139 0.000 0.767 67 E CB 1.232 31.036 29.700 0.173 0.000 1.248 67 E HN 0.052 nan 8.360 nan 0.000 0.440 68 P HA -0.097 nan 4.420 nan 0.000 0.218 68 P C 0.699 178.010 177.300 0.018 0.000 1.148 68 P CA 1.099 64.196 63.100 -0.004 0.000 0.822 68 P CB 0.185 31.857 31.700 -0.046 0.000 0.784 69 L N -1.377 119.866 121.223 0.033 0.000 2.554 69 L HA 0.080 4.420 4.340 0.001 0.000 0.226 69 L C 0.436 177.327 176.870 0.036 0.000 1.137 69 L CA 0.248 55.114 54.840 0.043 0.000 0.863 69 L CB -0.559 41.542 42.059 0.070 0.000 0.985 69 L HN -0.040 nan 8.230 nan 0.000 0.451 70 K N 0.019 120.445 120.400 0.044 0.000 3.096 70 K HA -0.227 4.094 4.320 0.001 0.000 0.266 70 K C 1.029 177.633 176.600 0.008 0.000 1.043 70 K CA 0.356 56.666 56.287 0.039 0.000 0.758 70 K CB -1.830 30.688 32.500 0.029 0.000 1.260 70 K HN 0.202 nan 8.250 nan 0.000 0.481 71 L N 0.181 121.405 121.223 0.003 0.000 2.042 71 L HA -0.113 4.228 4.340 0.001 0.000 0.210 71 L C 1.519 178.319 176.870 -0.116 0.000 1.076 71 L CA 1.894 56.688 54.840 -0.078 0.000 0.749 71 L CB -0.008 42.017 42.059 -0.057 0.000 0.893 71 L HN 0.448 nan 8.230 nan 0.000 0.432 72 L N -0.139 121.058 121.223 -0.043 0.000 2.978 72 L HA 0.403 4.743 4.340 0.001 0.000 0.239 72 L C 1.096 178.010 176.870 0.073 0.000 1.293 72 L CA -0.115 54.709 54.840 -0.026 0.000 1.085 72 L CB -1.067 41.001 42.059 0.016 0.000 1.432 72 L HN 0.427 nan 8.230 nan 0.000 0.512 73 G N 0.321 109.137 108.800 0.027 0.000 2.575 73 G HA2 -0.262 3.698 3.960 0.001 0.000 0.267 73 G HA3 -0.262 3.698 3.960 0.001 0.000 0.267 73 G C -0.327 174.647 174.900 0.124 0.000 1.264 73 G CA -0.480 44.655 45.100 0.058 0.000 0.935 73 G HN 0.346 nan 8.290 nan 0.000 0.568 74 D N 0.423 120.910 120.400 0.146 0.000 2.312 74 D HA 0.417 5.058 4.640 0.001 0.000 0.252 74 D C 0.348 176.786 176.300 0.230 0.000 1.150 74 D CA 0.104 54.197 54.000 0.155 0.000 0.870 74 D CB 1.536 42.405 40.800 0.116 0.000 1.153 74 D HN 0.312 nan 8.370 nan 0.000 0.457 75 V N 2.980 122.958 119.914 0.107 0.000 2.532 75 V HA 0.036 4.156 4.120 0.001 0.000 0.295 75 V C 1.639 177.710 176.094 -0.038 0.000 1.041 75 V CA -0.600 61.652 62.300 -0.080 0.000 0.926 75 V CB 1.803 33.574 31.823 -0.088 0.000 0.992 75 V HN 0.472 nan 8.190 nan 0.000 0.457 76 V N -0.109 119.736 119.914 -0.115 0.000 2.548 76 V HA 0.042 4.163 4.120 0.001 0.000 0.249 76 V C 0.603 176.703 176.094 0.010 0.000 1.055 76 V CA 1.061 63.332 62.300 -0.049 0.000 1.065 76 V CB -0.380 31.385 31.823 -0.096 0.000 0.681 76 V HN 0.775 nan 8.190 nan 0.000 0.462 77 D N 2.310 122.731 120.400 0.035 0.000 2.264 77 D HA 0.447 5.087 4.640 0.001 0.000 0.250 77 D C 0.721 177.154 176.300 0.222 0.000 1.113 77 D CA 0.589 54.715 54.000 0.209 0.000 0.871 77 D CB 1.695 42.628 40.800 0.222 0.000 1.167 77 D HN 0.677 nan 8.370 nan 0.000 0.447 78 T N -0.628 114.106 114.554 0.299 0.000 2.810 78 T HA 0.129 4.480 4.350 0.001 0.000 0.277 78 T C 1.301 175.914 174.700 -0.144 0.000 0.973 78 T CA -0.596 61.509 62.100 0.008 0.000 0.949 78 T CB 0.676 69.448 68.868 -0.159 0.000 1.075 78 T HN 0.134 nan 8.240 nan 0.000 0.537 79 M N 0.213 119.588 119.600 -0.374 0.000 2.159 79 M HA 0.030 4.510 4.480 0.001 0.000 0.263 79 M C 2.238 178.376 176.300 -0.270 0.000 1.063 79 M CA 1.645 56.615 55.300 -0.550 0.000 1.110 79 M CB -1.233 30.658 32.600 -1.181 0.000 1.374 79 M HN 0.931 nan 8.290 nan 0.000 0.411 80 E N -0.999 119.070 120.200 -0.218 0.000 2.049 80 E HA -0.285 4.065 4.350 0.001 0.000 0.198 80 E C 1.839 178.445 176.600 0.011 0.000 1.007 80 E CA 2.230 58.578 56.400 -0.087 0.000 0.809 80 E CB -0.286 29.308 29.700 -0.176 0.000 0.749 80 E HN 0.758 nan 8.360 nan 0.000 0.450 81 H N -0.640 118.462 119.070 0.052 0.000 2.353 81 H HA -0.031 4.526 4.556 0.001 0.000 0.300 81 H C 2.023 177.352 175.328 0.001 0.000 1.090 81 H CA 0.972 57.042 56.048 0.038 0.000 1.327 81 H CB -0.053 29.738 29.762 0.049 0.000 1.383 81 H HN 0.316 nan 8.280 nan 0.000 0.508 82 A N 0.592 123.462 122.820 0.083 0.000 1.930 82 A HA -0.173 4.147 4.320 0.001 0.000 0.217 82 A C 2.476 180.004 177.584 -0.094 0.000 1.175 82 A CA 1.804 53.818 52.037 -0.038 0.000 0.627 82 A CB -0.895 18.064 19.000 -0.070 0.000 0.815 82 A HN 0.582 nan 8.150 nan 0.000 0.443 83 T N -2.371 112.158 114.554 -0.041 0.000 2.942 83 T HA -0.096 4.255 4.350 0.001 0.000 0.265 83 T C 1.970 176.655 174.700 -0.026 0.000 1.062 83 T CA 1.150 63.251 62.100 0.001 0.000 1.139 83 T CB -0.294 68.624 68.868 0.082 0.000 0.883 83 T HN 0.473 nan 8.240 nan 0.000 0.468 84 R N 0.821 121.246 120.500 -0.126 0.000 2.083 84 R HA -0.063 4.277 4.340 0.001 0.000 0.237 84 R C 2.768 178.893 176.300 -0.291 0.000 1.137 84 R CA 1.678 57.461 56.100 -0.529 0.000 0.951 84 R CB -0.687 29.208 30.300 -0.674 0.000 0.851 84 R HN 0.416 nan 8.270 nan 0.000 0.434 85 S N -0.403 115.199 115.700 -0.163 0.000 2.355 85 S HA -0.096 4.374 4.470 0.001 0.000 0.222 85 S C 1.931 176.418 174.600 -0.188 0.000 1.031 85 S CA 1.085 59.202 58.200 -0.139 0.000 0.993 85 S CB -0.290 62.877 63.200 -0.056 0.000 0.859 85 S HN 0.543 nan 8.310 nan 0.000 0.453 86 A N 0.898 123.606 122.820 -0.187 0.000 1.873 86 A HA -0.102 4.218 4.320 0.001 0.000 0.218 86 A C 2.322 179.771 177.584 -0.225 0.000 1.193 86 A CA 2.151 54.077 52.037 -0.185 0.000 0.629 86 A CB -1.233 17.684 19.000 -0.138 0.000 0.826 86 A HN 0.447 nan 8.150 nan 0.000 0.447 87 V N -0.312 119.474 119.914 -0.213 0.000 2.427 87 V HA -0.197 3.923 4.120 0.001 0.000 0.248 87 V C 2.977 178.762 176.094 -0.514 0.000 1.051 87 V CA 1.742 63.897 62.300 -0.242 0.000 1.048 87 V CB -1.100 30.666 31.823 -0.095 0.000 0.666 87 V HN 0.639 nan 8.190 nan 0.000 0.456 88 A N 0.128 122.585 122.820 -0.606 0.000 2.070 88 A HA -0.014 4.306 4.320 0.001 0.000 0.220 88 A C 2.025 179.124 177.584 -0.807 0.000 1.159 88 A CA 1.679 53.074 52.037 -1.070 0.000 0.656 88 A CB -0.525 18.219 19.000 -0.427 0.000 0.800 88 A HN 0.590 nan 8.150 nan 0.000 0.453 89 G N -2.592 105.856 108.800 -0.587 0.000 3.651 89 G HA2 0.425 4.385 3.960 0.001 0.000 0.279 89 G HA3 0.425 4.385 3.960 0.001 0.000 0.279 89 G C 0.934 175.453 174.900 -0.636 0.000 1.024 89 G CA 0.386 45.046 45.100 -0.733 0.000 0.813 89 G HN 1.492 nan 8.290 nan 0.000 0.518 90 G N -0.177 108.292 108.800 -0.552 0.000 2.143 90 G HA2 -0.254 3.706 3.960 0.001 0.000 0.249 90 G HA3 -0.254 3.706 3.960 0.001 0.000 0.249 90 G C 0.276 175.044 174.900 -0.219 0.000 0.981 90 G CA 0.378 45.228 45.100 -0.418 0.000 0.665 90 G HN 0.599 nan 8.290 nan 0.000 0.528 91 T N 0.717 115.156 114.554 -0.192 0.000 2.799 91 T HA 0.549 4.899 4.350 0.001 0.000 0.286 91 T C 1.373 176.019 174.700 -0.089 0.000 0.973 91 T CA 0.496 62.533 62.100 -0.106 0.000 1.035 91 T CB 1.450 70.262 68.868 -0.093 0.000 0.932 91 T HN 0.650 nan 8.240 nan 0.000 0.469 92 T N -1.007 113.517 114.554 -0.051 0.000 3.003 92 T HA 0.261 4.611 4.350 0.001 0.000 0.261 92 T C 0.433 175.122 174.700 -0.019 0.000 1.003 92 T CA -0.233 61.847 62.100 -0.032 0.000 0.917 92 T CB 0.359 69.212 68.868 -0.026 0.000 1.084 92 T HN 0.493 nan 8.240 nan 0.000 0.522 93 T N 2.439 116.980 114.554 -0.021 0.000 2.991 93 T HA 0.623 4.973 4.350 0.001 0.000 0.303 93 T C -0.757 173.927 174.700 -0.027 0.000 1.015 93 T CA -0.701 61.385 62.100 -0.023 0.000 1.007 93 T CB 2.114 70.964 68.868 -0.030 0.000 1.034 93 T HN 0.406 nan 8.240 nan 0.000 0.446 94 V N 0.762 120.660 119.914 -0.025 0.000 2.667 94 V HA 0.952 5.073 4.120 0.001 0.000 0.308 94 V C -0.654 175.390 176.094 -0.083 0.000 1.048 94 V CA -0.880 61.393 62.300 -0.044 0.000 0.928 94 V CB 1.827 33.620 31.823 -0.050 0.000 1.004 94 V HN 0.614 nan 8.190 nan 0.000 0.444 95 V N 3.888 123.700 119.914 -0.171 0.000 2.376 95 V HA 0.847 4.967 4.120 0.001 0.000 0.287 95 V C 0.646 176.473 176.094 -0.446 0.000 1.015 95 V CA 0.399 62.471 62.300 -0.380 0.000 0.834 95 V CB 0.541 31.952 31.823 -0.688 0.000 1.001 95 V HN 1.405 nan 8.190 nan 0.000 0.428 96 A N 4.596 127.210 122.820 -0.342 0.000 3.068 96 A HA 0.987 5.308 4.320 0.001 0.000 0.229 96 A C -0.967 176.307 177.584 -0.516 0.000 1.561 96 A CA -0.401 51.463 52.037 -0.289 0.000 0.876 96 A CB 0.760 19.751 19.000 -0.015 0.000 1.700 96 A HN 0.571 nan 8.150 nan 0.000 0.535 97 F N -0.607 119.374 119.950 0.053 0.000 2.529 97 F HA 0.527 5.055 4.527 0.001 0.000 0.320 97 F C 0.482 176.378 175.800 0.160 0.000 1.118 97 F CA -0.307 57.765 58.000 0.120 0.000 0.915 97 F CB 2.281 41.357 39.000 0.126 0.000 1.161 97 F HN 0.336 nan 8.300 nan 0.000 0.445 98 S N 1.846 117.728 115.700 0.304 0.000 2.422 98 S HA 0.408 4.878 4.470 0.001 0.000 0.298 98 S C -0.351 174.397 174.600 0.247 0.000 1.118 98 S CA -0.443 57.885 58.200 0.213 0.000 1.083 98 S CB 0.323 63.593 63.200 0.118 0.000 0.971 98 S HN 0.603 nan 8.310 nan 0.000 0.478 99 T N 5.312 120.000 114.554 0.222 0.000 2.779 99 T HA 0.145 4.495 4.350 0.001 0.000 0.296 99 T C 0.250 175.082 174.700 0.220 0.000 0.938 99 T CA -0.105 62.153 62.100 0.262 0.000 1.119 99 T CB 0.675 69.678 68.868 0.225 0.000 0.891 99 T HN 0.762 nan 8.240 nan 0.000 0.526 100 Q N 2.887 122.823 119.800 0.226 0.000 2.269 100 Q HA -0.087 4.254 4.340 0.001 0.000 0.300 100 Q C -0.447 175.595 176.000 0.070 0.000 1.070 100 Q CA 0.146 55.973 55.803 0.039 0.000 0.957 100 Q CB 0.351 28.940 28.738 -0.248 0.000 1.131 100 Q HN 0.486 nan 8.270 nan 0.000 0.377 101 D N 4.148 124.568 120.400 0.034 0.000 2.456 101 D HA 0.058 4.699 4.640 0.001 0.000 0.219 101 D C 0.956 177.264 176.300 0.014 0.000 1.126 101 D CA -0.312 53.721 54.000 0.054 0.000 0.890 101 D CB 1.062 41.883 40.800 0.036 0.000 1.025 101 D HN 0.486 nan 8.370 nan 0.000 0.511 102 V N 2.076 122.009 119.914 0.031 0.000 3.078 102 V HA -0.137 3.983 4.120 0.001 0.000 0.265 102 V C 1.829 177.936 176.094 0.023 0.000 1.122 102 V CA 1.700 64.001 62.300 0.000 0.000 1.141 102 V CB -0.803 31.048 31.823 0.047 0.000 0.735 102 V HN 0.468 nan 8.190 nan 0.000 0.498 103 S N -0.522 115.199 115.700 0.035 0.000 2.414 103 S HA 0.035 4.505 4.470 0.001 0.000 0.227 103 S C 1.136 175.746 174.600 0.018 0.000 1.022 103 S CA 0.108 58.325 58.200 0.028 0.000 0.958 103 S CB -0.371 62.847 63.200 0.031 0.000 0.797 103 S HN 0.590 nan 8.310 nan 0.000 0.493 104 K N 1.956 122.365 120.400 0.014 0.000 2.295 104 K HA 0.408 4.728 4.320 0.001 0.000 0.270 104 K C -0.179 176.426 176.600 0.007 0.000 1.011 104 K CA 0.140 56.434 56.287 0.011 0.000 0.953 104 K CB 0.495 33.002 32.500 0.011 0.000 0.956 104 K HN 0.221 nan 8.250 nan 0.000 0.477 105 K N 0.117 120.524 120.400 0.011 0.000 2.477 105 K HA 0.534 4.854 4.320 0.001 0.000 0.255 105 K C 0.052 176.660 176.600 0.013 0.000 0.952 105 K CA -0.311 55.981 56.287 0.010 0.000 0.826 105 K CB 2.226 34.732 32.500 0.011 0.000 1.331 105 K HN 0.802 nan 8.250 nan 0.000 0.437 106 G N 2.058 110.866 108.800 0.012 0.000 2.693 106 G HA2 -0.205 3.755 3.960 0.001 0.000 0.226 106 G HA3 -0.205 3.755 3.960 0.001 0.000 0.226 106 G C -2.091 172.821 174.900 0.019 0.000 1.354 106 G CA -0.503 44.606 45.100 0.015 0.000 0.873 106 G HN 0.384 nan 8.290 nan 0.000 0.562 107 P HA -0.058 nan 4.420 nan 0.000 0.217 107 P C 1.968 179.292 177.300 0.039 0.000 1.148 107 P CA 2.571 65.688 63.100 0.028 0.000 0.828 107 P CB -0.097 31.619 31.700 0.027 0.000 0.783 108 S N -1.937 113.787 115.700 0.040 0.000 2.575 108 S HA 0.281 4.752 4.470 0.001 0.000 0.215 108 S C 1.836 176.468 174.600 0.054 0.000 0.966 108 S CA 0.296 58.529 58.200 0.055 0.000 0.911 108 S CB -0.814 62.416 63.200 0.051 0.000 0.780 108 S HN 0.064 nan 8.310 nan 0.000 0.514 109 A N 2.280 125.123 122.820 0.037 0.000 1.940 109 A HA 0.060 4.380 4.320 0.001 0.000 0.219 109 A C 2.130 179.731 177.584 0.029 0.000 1.176 109 A CA 1.422 53.474 52.037 0.025 0.000 0.631 109 A CB -0.667 18.339 19.000 0.010 0.000 0.814 109 A HN 0.598 nan 8.150 nan 0.000 0.446 110 L N -1.659 119.592 121.223 0.047 0.000 2.202 110 L HA 0.029 4.369 4.340 0.001 0.000 0.205 110 L C 2.997 179.914 176.870 0.078 0.000 1.083 110 L CA 0.701 55.578 54.840 0.060 0.000 0.790 110 L CB -0.512 41.596 42.059 0.081 0.000 0.942 110 L HN 0.391 nan 8.230 nan 0.000 0.452 111 A N -0.013 122.878 122.820 0.119 0.000 1.933 111 A HA -0.174 4.147 4.320 0.001 0.000 0.218 111 A C 2.151 179.788 177.584 0.087 0.000 1.175 111 A CA 1.322 53.473 52.037 0.190 0.000 0.628 111 A CB -0.270 18.889 19.000 0.264 0.000 0.814 111 A HN 0.309 nan 8.150 nan 0.000 0.444 112 E N 0.325 120.562 120.200 0.062 0.000 2.204 112 E HA -0.085 4.266 4.350 0.001 0.000 0.194 112 E C 2.238 178.810 176.600 -0.048 0.000 0.989 112 E CA 1.169 57.578 56.400 0.015 0.000 0.824 112 E CB -0.326 29.391 29.700 0.028 0.000 0.756 112 E HN 0.594 nan 8.360 nan 0.000 0.477 113 S N 0.541 116.219 115.700 -0.037 0.000 2.383 113 S HA -0.090 4.381 4.470 0.001 0.000 0.227 113 S C 2.251 176.783 174.600 -0.112 0.000 1.026 113 S CA 0.894 59.070 58.200 -0.040 0.000 0.981 113 S CB -0.088 63.117 63.200 0.010 0.000 0.818 113 S HN 0.067 nan 8.310 nan 0.000 0.472 114 V N 2.040 121.830 119.914 -0.207 0.000 2.453 114 V HA -0.111 4.010 4.120 0.001 0.000 0.247 114 V C 2.352 178.063 176.094 -0.638 0.000 1.048 114 V CA 1.494 63.553 62.300 -0.401 0.000 1.049 114 V CB -0.559 30.948 31.823 -0.526 0.000 0.672 114 V HN 0.423 nan 8.190 nan 0.000 0.457 115 K N 0.290 120.296 120.400 -0.656 0.000 2.074 115 K HA -0.192 4.128 4.320 0.001 0.000 0.209 115 K C 2.112 178.544 176.600 -0.281 0.000 1.048 115 K CA 1.611 57.620 56.287 -0.463 0.000 0.926 115 K CB -0.252 32.175 32.500 -0.123 0.000 0.713 115 K HN 0.414 nan 8.250 nan 0.000 0.444 116 L N 0.883 121.975 121.223 -0.219 0.000 2.079 116 L HA -0.244 4.096 4.340 0.001 0.000 0.210 116 L C 2.049 178.750 176.870 -0.281 0.000 1.081 116 L CA 1.407 56.136 54.840 -0.184 0.000 0.752 116 L CB -0.551 41.435 42.059 -0.122 0.000 0.896 116 L HN 0.313 nan 8.230 nan 0.000 0.433 117 D N -0.346 119.853 120.400 -0.337 0.000 2.120 117 D HA -0.105 4.535 4.640 0.001 0.000 0.202 117 D C 2.352 178.301 176.300 -0.585 0.000 0.972 117 D CA 1.092 54.761 54.000 -0.552 0.000 0.837 117 D CB -0.088 40.564 40.800 -0.246 0.000 0.989 117 D HN 0.144 nan 8.370 nan 0.000 0.469 118 V N 2.095 121.809 119.914 -0.334 0.000 2.287 118 V HA -0.232 3.888 4.120 0.001 0.000 0.248 118 V C 1.917 177.945 176.094 -0.110 0.000 1.053 118 V CA 1.836 64.027 62.300 -0.183 0.000 1.027 118 V CB -0.503 31.090 31.823 -0.385 0.000 0.646 118 V HN 0.008 nan 8.190 nan 0.000 0.447 119 D N -0.333 119.972 120.400 -0.158 0.000 2.117 119 D HA -0.185 4.455 4.640 0.001 0.000 0.197 119 D C 2.165 178.396 176.300 -0.115 0.000 0.987 119 D CA 1.589 55.532 54.000 -0.096 0.000 0.829 119 D CB -0.176 40.573 40.800 -0.085 0.000 0.961 119 D HN 0.646 nan 8.370 nan 0.000 0.460 120 E N -0.425 119.630 120.200 -0.243 0.000 2.051 120 E HA -0.178 4.173 4.350 0.001 0.000 0.192 120 E C 1.739 178.272 176.600 -0.112 0.000 0.991 120 E CA 1.027 57.283 56.400 -0.240 0.000 0.799 120 E CB -0.225 29.236 29.700 -0.398 0.000 0.748 120 E HN 0.491 nan 8.360 nan 0.000 0.449 121 Y N 0.247 120.519 120.300 -0.046 0.000 2.457 121 Y HA -0.036 4.514 4.550 0.001 0.000 0.292 121 Y C 2.569 178.468 175.900 -0.001 0.000 1.125 121 Y CA 0.219 58.272 58.100 -0.078 0.000 1.254 121 Y CB 0.096 38.417 38.460 -0.232 0.000 1.012 121 Y HN 0.174 nan 8.280 nan 0.000 0.555 122 S N -0.112 115.681 115.700 0.154 0.000 2.507 122 S HA -0.167 4.303 4.470 0.001 0.000 0.235 122 S C 1.391 176.034 174.600 0.072 0.000 0.988 122 S CA 1.235 59.510 58.200 0.125 0.000 0.944 122 S CB -0.111 63.143 63.200 0.091 0.000 0.762 122 S HN 0.309 nan 8.310 nan 0.000 0.526 123 E N 0.934 121.168 120.200 0.056 0.000 2.472 123 E HA 0.238 4.588 4.350 0.001 0.000 0.196 123 E C 0.360 176.974 176.600 0.023 0.000 1.033 123 E CA 0.153 56.571 56.400 0.031 0.000 0.886 123 E CB 0.241 29.953 29.700 0.019 0.000 0.944 123 E HN 0.721 nan 8.360 nan 0.000 0.492 124 Q N -0.577 119.242 119.800 0.032 0.000 2.215 124 Q HA 0.393 4.734 4.340 0.001 0.000 0.256 124 Q C -0.598 175.381 176.000 -0.034 0.000 0.972 124 Q CA -0.556 55.244 55.803 -0.004 0.000 0.889 124 Q CB 1.622 30.353 28.738 -0.012 0.000 1.281 124 Q HN -0.098 nan 8.270 nan 0.000 0.456 125 T N 2.230 116.739 114.554 -0.074 0.000 2.779 125 T HA 0.268 4.618 4.350 0.001 0.000 0.296 125 T C -0.341 174.232 174.700 -0.211 0.000 0.938 125 T CA -0.074 61.928 62.100 -0.164 0.000 1.119 125 T CB -0.097 68.640 68.868 -0.217 0.000 0.891 125 T HN 0.224 nan 8.240 nan 0.000 0.526 126 L N 4.082 125.185 121.223 -0.200 0.000 2.287 126 L HA 0.386 4.726 4.340 0.001 0.000 0.287 126 L C 0.334 177.092 176.870 -0.186 0.000 1.022 126 L CA -0.853 53.918 54.840 -0.115 0.000 0.814 126 L CB 1.195 43.265 42.059 0.017 0.000 1.217 126 L HN 0.715 nan 8.230 nan 0.000 0.420 127 Y N 1.525 121.823 120.300 -0.003 0.000 2.475 127 Y HA 0.018 4.568 4.550 0.001 0.000 0.289 127 Y C 1.178 177.079 175.900 0.002 0.000 1.121 127 Y CA -0.115 57.987 58.100 0.003 0.000 1.257 127 Y CB 0.432 38.891 38.460 -0.002 0.000 1.026 127 Y HN 0.727 nan 8.280 nan 0.000 0.555 128 C N -2.632 116.747 119.300 0.132 0.000 3.323 128 C HA 0.515 4.975 4.460 0.001 0.000 0.324 128 C C -0.893 174.143 174.990 0.076 0.000 1.428 128 C CA -1.536 57.527 59.018 0.074 0.000 1.368 128 C CB 1.144 28.913 27.740 0.049 0.000 1.731 128 C HN 0.000 nan 8.230 nan 0.000 0.455 129 D N 0.991 121.415 120.400 0.041 0.000 2.382 129 D HA 0.464 5.105 4.640 0.001 0.000 0.240 129 D C -0.604 175.738 176.300 0.069 0.000 1.146 129 D CA 0.747 54.762 54.000 0.025 0.000 0.897 129 D CB 0.493 41.257 40.800 -0.060 0.000 1.197 129 D HN 0.803 nan 8.370 nan 0.000 0.432 130 Y N -1.793 118.458 120.300 -0.081 0.000 2.492 130 Y HA 0.680 5.230 4.550 0.001 0.000 0.346 130 Y C -0.263 175.543 175.900 -0.157 0.000 0.997 130 Y CA -1.119 56.920 58.100 -0.101 0.000 1.025 130 Y CB 1.324 39.745 38.460 -0.066 0.000 1.263 130 Y HN 0.333 nan 8.280 nan 0.000 0.454 131 G N 2.861 111.511 108.800 -0.249 0.000 2.735 131 G HA2 0.724 4.685 3.960 0.001 0.000 0.301 131 G HA3 0.724 4.685 3.960 0.001 0.000 0.301 131 G C -1.966 172.849 174.900 -0.142 0.000 1.279 131 G CA -1.302 43.573 45.100 -0.375 0.000 1.019 131 G HN 0.770 nan 8.290 nan 0.000 0.497 132 L N 0.610 121.753 121.223 -0.133 0.000 2.436 132 L HA 0.389 4.729 4.340 0.001 0.000 0.268 132 L C -0.632 176.053 176.870 -0.308 0.000 0.974 132 L CA -1.090 53.669 54.840 -0.136 0.000 0.826 132 L CB 2.353 44.510 42.059 0.164 0.000 1.291 132 L HN 0.489 nan 8.230 nan 0.000 0.406 133 H N 2.664 121.559 119.070 -0.292 0.000 2.505 133 H HA 0.366 4.923 4.556 0.001 0.000 0.351 133 H C -0.676 174.676 175.328 0.040 0.000 1.151 133 H CA -0.602 55.323 56.048 -0.206 0.000 1.339 133 H CB 2.355 31.860 29.762 -0.427 0.000 1.483 133 H HN 0.206 nan 8.280 nan 0.000 0.558 134 L N 2.594 123.988 121.223 0.285 0.000 2.295 134 L HA 0.324 4.664 4.340 0.001 0.000 0.285 134 L C -0.379 176.702 176.870 0.350 0.000 1.035 134 L CA -0.252 54.762 54.840 0.289 0.000 0.806 134 L CB 0.491 42.709 42.059 0.266 0.000 1.214 134 L HN 0.441 nan 8.230 nan 0.000 0.426 135 I N 5.527 126.321 120.570 0.373 0.000 2.331 135 I HA 0.240 4.410 4.170 0.001 0.000 0.292 135 I C -0.852 175.457 176.117 0.320 0.000 0.998 135 I CA -0.606 60.941 61.300 0.411 0.000 1.267 135 I CB 1.295 39.589 38.000 0.490 0.000 1.386 135 I HN 0.356 nan 8.210 nan 0.000 0.476 136 L N 7.366 128.764 121.223 0.291 0.000 2.305 136 L HA 0.346 4.686 4.340 0.001 0.000 0.284 136 L C 0.031 177.046 176.870 0.242 0.000 1.013 136 L CA 0.074 55.004 54.840 0.148 0.000 0.819 136 L CB 1.154 43.277 42.059 0.107 0.000 1.227 136 L HN 0.579 nan 8.230 nan 0.000 0.417 137 F N 0.131 120.164 119.950 0.138 0.000 2.831 137 F HA 0.425 4.952 4.527 0.001 0.000 0.334 137 F C 0.395 176.250 175.800 0.092 0.000 1.071 137 F CA -0.534 57.537 58.000 0.118 0.000 1.172 137 F CB 0.141 39.184 39.000 0.072 0.000 1.054 137 F HN 0.400 nan 8.300 nan 0.000 0.572 138 Q N 2.584 122.222 119.800 -0.271 0.000 2.363 138 Q HA 0.482 4.823 4.340 0.001 0.000 0.265 138 Q C -1.477 174.481 176.000 -0.070 0.000 1.032 138 Q CA -0.533 55.199 55.803 -0.119 0.000 0.746 138 Q CB 1.411 30.021 28.738 -0.213 0.000 1.237 138 Q HN 0.233 nan 8.270 nan 0.000 0.475 139 I N 3.090 123.672 120.570 0.020 0.000 2.406 139 I HA 0.353 4.523 4.170 0.001 0.000 0.290 139 I C 0.163 176.313 176.117 0.055 0.000 0.999 139 I CA -0.857 60.466 61.300 0.038 0.000 1.124 139 I CB 1.596 39.641 38.000 0.075 0.000 1.289 139 I HN 0.603 nan 8.210 nan 0.000 0.441 140 E N 5.427 125.651 120.200 0.040 0.000 2.383 140 E HA 0.307 4.657 4.350 0.001 0.000 0.264 140 E C -0.459 176.192 176.600 0.085 0.000 1.050 140 E CA -0.003 56.426 56.400 0.048 0.000 0.896 140 E CB 1.248 30.965 29.700 0.028 0.000 0.982 140 E HN 0.430 nan 8.360 nan 0.000 0.424 141 K N 2.057 122.511 120.400 0.090 0.000 2.426 141 K HA 0.464 4.785 4.320 0.001 0.000 0.251 141 K C -2.336 174.313 176.600 0.081 0.000 0.941 141 K CA -1.664 54.705 56.287 0.136 0.000 0.808 141 K CB 1.394 33.968 32.500 0.124 0.000 1.265 141 K HN 0.226 nan 8.250 nan 0.000 0.432 142 P HA 0.046 nan 4.420 nan 0.000 0.271 142 P C 0.471 177.850 177.300 0.131 0.000 1.244 142 P CA -0.301 62.899 63.100 0.167 0.000 0.793 142 P CB 0.763 32.528 31.700 0.108 0.000 0.984 143 S N -0.255 115.517 115.700 0.119 0.000 2.355 143 S HA -0.114 4.357 4.470 0.001 0.000 0.222 143 S C 1.744 176.288 174.600 -0.093 0.000 1.031 143 S CA 1.522 59.681 58.200 -0.067 0.000 0.993 143 S CB -0.595 62.437 63.200 -0.280 0.000 0.859 143 S HN 0.226 nan 8.310 nan 0.000 0.453 144 V N 2.121 121.990 119.914 -0.075 0.000 2.237 144 V HA -0.159 3.961 4.120 0.001 0.000 0.245 144 V C 2.470 178.536 176.094 -0.046 0.000 1.046 144 V CA 2.153 64.401 62.300 -0.086 0.000 1.007 144 V CB -0.970 30.824 31.823 -0.048 0.000 0.638 144 V HN 0.526 nan 8.190 nan 0.000 0.445 145 E N 0.529 120.721 120.200 -0.013 0.000 2.086 145 E HA -0.310 4.040 4.350 0.001 0.000 0.205 145 E C 2.213 178.811 176.600 -0.004 0.000 1.027 145 E CA 1.705 58.105 56.400 -0.000 0.000 0.830 145 E CB -0.397 29.310 29.700 0.012 0.000 0.751 145 E HN 0.603 nan 8.360 nan 0.000 0.456 146 A N 0.997 123.814 122.820 -0.005 0.000 2.121 146 A HA -0.132 4.188 4.320 0.001 0.000 0.218 146 A C 1.908 179.484 177.584 -0.013 0.000 1.154 146 A CA 0.701 52.737 52.037 -0.002 0.000 0.679 146 A CB -0.308 18.698 19.000 0.009 0.000 0.795 146 A HN 0.099 nan 8.150 nan 0.000 0.458 147 R N -0.367 120.109 120.500 -0.039 0.000 2.115 147 R HA -0.197 4.143 4.340 0.001 0.000 0.239 147 R C 2.189 178.498 176.300 0.015 0.000 1.133 147 R CA 1.768 57.844 56.100 -0.040 0.000 0.935 147 R CB -0.374 29.865 30.300 -0.100 0.000 0.853 147 R HN 0.597 nan 8.270 nan 0.000 0.433 148 E N 0.593 120.803 120.200 0.017 0.000 2.085 148 E HA -0.214 4.136 4.350 0.001 0.000 0.194 148 E C 2.014 178.625 176.600 0.017 0.000 0.994 148 E CA 1.106 57.521 56.400 0.025 0.000 0.801 148 E CB -0.032 29.682 29.700 0.023 0.000 0.743 148 E HN 0.100 nan 8.360 nan 0.000 0.453 149 L N 0.654 121.884 121.223 0.012 0.000 2.027 149 L HA -0.148 4.193 4.340 0.001 0.000 0.206 149 L C 2.417 179.290 176.870 0.004 0.000 1.074 149 L CA 1.151 55.997 54.840 0.009 0.000 0.745 149 L CB -0.616 41.448 42.059 0.009 0.000 0.898 149 L HN 0.156 nan 8.230 nan 0.000 0.433 150 L N -0.339 120.885 121.223 0.001 0.000 2.083 150 L HA -0.201 4.139 4.340 0.001 0.000 0.209 150 L C 2.119 178.970 176.870 -0.031 0.000 1.083 150 L CA 1.999 56.833 54.840 -0.010 0.000 0.752 150 L CB -0.950 41.107 42.059 -0.003 0.000 0.899 150 L HN 0.462 nan 8.230 nan 0.000 0.433 151 D N -0.952 119.439 120.400 -0.015 0.000 2.087 151 D HA -0.186 4.454 4.640 0.001 0.000 0.192 151 D C 2.160 178.437 176.300 -0.039 0.000 0.993 151 D CA 1.864 55.840 54.000 -0.040 0.000 0.828 151 D CB -0.231 40.566 40.800 -0.004 0.000 0.968 151 D HN 0.160 nan 8.370 nan 0.000 0.448 152 V N 0.327 120.236 119.914 -0.008 0.000 2.392 152 V HA -0.255 3.865 4.120 0.001 0.000 0.249 152 V C 2.567 178.675 176.094 0.023 0.000 1.059 152 V CA 1.953 64.260 62.300 0.011 0.000 1.051 152 V CB -0.535 31.297 31.823 0.017 0.000 0.658 152 V HN 0.319 nan 8.190 nan 0.000 0.455 153 Q N -0.852 118.956 119.800 0.014 0.000 2.119 153 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 153 Q C 2.284 178.313 176.000 0.049 0.000 0.972 153 Q CA 1.285 57.106 55.803 0.031 0.000 0.847 153 Q CB -0.126 28.623 28.738 0.018 0.000 0.903 153 Q HN 0.554 nan 8.270 nan 0.000 0.433 154 L N 0.323 121.536 121.223 -0.017 0.000 2.056 154 L HA -0.210 4.130 4.340 0.001 0.000 0.207 154 L C 2.412 179.372 176.870 0.150 0.000 1.078 154 L CA 1.169 55.977 54.840 -0.052 0.000 0.749 154 L CB -0.446 41.320 42.059 -0.487 0.000 0.901 154 L HN 0.302 nan 8.230 nan 0.000 0.433 155 Q N -0.047 119.810 119.800 0.095 0.000 2.077 155 Q HA -0.249 4.091 4.340 0.001 0.000 0.206 155 Q C 2.424 178.551 176.000 0.211 0.000 0.989 155 Q CA 1.922 57.827 55.803 0.171 0.000 0.853 155 Q CB -0.329 28.462 28.738 0.089 0.000 0.907 155 Q HN 0.568 nan 8.270 nan 0.000 0.418 156 A N 1.034 123.943 122.820 0.149 0.000 1.902 156 A HA -0.142 4.178 4.320 0.001 0.000 0.217 156 A C 2.316 180.014 177.584 0.190 0.000 1.181 156 A CA 1.660 53.778 52.037 0.136 0.000 0.623 156 A CB -0.869 18.192 19.000 0.102 0.000 0.818 156 A HN 0.420 nan 8.150 nan 0.000 0.443 157 A N -1.522 121.447 122.820 0.249 0.000 1.902 157 A HA -0.133 4.188 4.320 0.001 0.000 0.217 157 A C 2.176 179.968 177.584 0.347 0.000 1.181 157 A CA 1.775 54.002 52.037 0.317 0.000 0.623 157 A CB -0.827 18.375 19.000 0.336 0.000 0.818 157 A HN 0.728 nan 8.150 nan 0.000 0.443 158 Y N 1.516 121.983 120.300 0.279 0.000 2.163 158 Y HA -0.197 4.353 4.550 0.001 0.000 0.288 158 Y C 2.217 178.187 175.900 0.118 0.000 1.136 158 Y CA 2.071 60.291 58.100 0.199 0.000 1.147 158 Y CB -0.267 38.346 38.460 0.255 0.000 0.987 158 Y HN 0.344 nan 8.280 nan 0.000 0.509 159 N N 0.468 119.197 118.700 0.048 0.000 2.120 159 N HA -0.158 4.583 4.740 0.001 0.000 0.188 159 N C 1.333 176.749 175.510 -0.156 0.000 1.024 159 N CA 1.753 54.757 53.050 -0.078 0.000 0.852 159 N CB -0.555 37.953 38.487 0.036 0.000 1.003 159 N HN 0.428 nan 8.380 nan 0.000 0.424 160 D N -0.931 119.400 120.400 -0.114 0.000 2.137 160 D HA -0.023 4.617 4.640 0.001 0.000 0.202 160 D C 0.870 176.845 176.300 -0.542 0.000 0.970 160 D CA 1.069 54.880 54.000 -0.314 0.000 0.837 160 D CB -0.015 40.635 40.800 -0.250 0.000 0.981 160 D HN 0.379 nan 8.370 nan 0.000 0.475 161 Y N -1.549 118.740 120.300 -0.019 0.000 2.563 161 Y HA 0.318 4.869 4.550 0.001 0.000 0.250 161 Y C 1.315 177.261 175.900 0.076 0.000 1.126 161 Y CA -0.051 58.086 58.100 0.063 0.000 1.231 161 Y CB 1.281 39.769 38.460 0.046 0.000 1.288 161 Y HN -0.040 nan 8.280 nan 0.000 0.537 162 G N 1.429 110.197 108.800 -0.053 0.000 2.273 162 G HA2 -0.265 3.695 3.960 0.001 0.000 0.280 162 G HA3 -0.265 3.695 3.960 0.001 0.000 0.280 162 G C -0.308 174.610 174.900 0.029 0.000 1.047 162 G CA 0.335 45.312 45.100 -0.204 0.000 0.869 162 G HN 0.126 nan 8.290 nan 0.000 0.502 163 V N 0.891 120.897 119.914 0.152 0.000 2.406 163 V HA 0.563 4.683 4.120 0.001 0.000 0.272 163 V C 1.126 177.185 176.094 -0.058 0.000 1.043 163 V CA 0.647 63.014 62.300 0.111 0.000 0.915 163 V CB 1.566 33.502 31.823 0.188 0.000 0.988 163 V HN 0.949 nan 8.190 nan 0.000 0.466 164 S N 1.381 116.879 115.700 -0.337 0.000 2.937 164 S HA 0.266 4.736 4.470 0.001 0.000 0.252 164 S C 0.221 174.294 174.600 -0.878 0.000 1.022 164 S CA -0.064 57.514 58.200 -1.037 0.000 1.079 164 S CB 0.340 63.267 63.200 -0.455 0.000 1.035 164 S HN 0.771 nan 8.310 nan 0.000 0.594 165 S N 0.105 115.618 115.700 -0.311 0.000 2.548 165 S HA 0.893 5.363 4.470 0.001 0.000 0.286 165 S C -0.614 174.172 174.600 0.309 0.000 1.098 165 S CA -0.674 57.596 58.200 0.118 0.000 0.930 165 S CB 1.847 65.239 63.200 0.320 0.000 1.070 165 S HN 0.153 nan 8.310 nan 0.000 0.480 169 F N 1.556 121.619 119.950 0.188 0.000 2.508 169 F HA 0.569 5.096 4.527 0.001 0.000 0.325 169 F C 0.753 176.652 175.800 0.165 0.000 1.090 169 F CA -0.525 57.583 58.000 0.180 0.000 0.945 169 F CB 1.637 40.714 39.000 0.128 0.000 1.156 169 F HN 0.543 nan 8.300 nan 0.000 0.463 170 M N 0.639 120.434 119.600 0.326 0.000 2.333 170 M HA 0.159 4.640 4.480 0.001 0.000 0.257 170 M C 0.191 176.611 176.300 0.200 0.000 1.078 170 M CA 0.309 55.753 55.300 0.241 0.000 1.005 170 M CB 0.766 33.499 32.600 0.221 0.000 1.444 170 M HN 0.646 nan 8.290 nan 0.000 0.496 171 T N -1.028 113.652 114.554 0.210 0.000 2.804 171 T HA 0.555 4.905 4.350 0.001 0.000 0.290 171 T C -1.788 172.999 174.700 0.146 0.000 1.099 171 T CA -0.119 62.037 62.100 0.093 0.000 1.011 171 T CB 1.114 69.967 68.868 -0.025 0.000 1.291 171 T HN 0.269 nan 8.240 nan 0.000 0.523 172 Y N -0.235 120.050 120.300 -0.026 0.000 2.665 172 Y HA -0.079 4.472 4.550 0.001 0.000 0.024 172 Y C -2.589 173.256 175.900 -0.091 0.000 1.902 172 Y CA -0.721 57.320 58.100 -0.097 0.000 1.309 172 Y CB -0.938 37.381 38.460 -0.235 0.000 1.970 172 Y HN 0.511 nan 8.280 nan 0.000 0.273 173 P HA 0.211 nan 4.420 nan 0.000 0.263 173 P C 0.879 178.168 177.300 -0.018 0.000 1.195 173 P CA 2.088 65.207 63.100 0.031 0.000 0.762 173 P CB 0.662 32.371 31.700 0.015 0.000 0.799 174 G N 2.279 111.065 108.800 -0.024 0.000 2.241 174 G HA2 -0.287 3.674 3.960 0.001 0.000 0.244 174 G HA3 -0.287 3.674 3.960 0.001 0.000 0.244 174 G C 0.586 175.397 174.900 -0.149 0.000 0.998 174 G CA 0.280 45.325 45.100 -0.091 0.000 0.621 174 G HN 0.482 nan 8.290 nan 0.000 0.519 175 L N 0.077 121.234 121.223 -0.110 0.000 2.526 175 L HA 0.367 4.707 4.340 0.001 0.000 0.210 175 L C 1.447 178.405 176.870 0.146 0.000 1.048 175 L CA 0.420 55.205 54.840 -0.093 0.000 0.852 175 L CB -0.061 41.708 42.059 -0.483 0.000 1.128 175 L HN 0.343 nan 8.230 nan 0.000 0.482 176 Q N 2.666 122.557 119.800 0.151 0.000 2.308 176 Q HA 0.042 4.383 4.340 0.001 0.000 0.313 176 Q C -0.589 175.525 176.000 0.190 0.000 1.075 176 Q CA 0.384 56.303 55.803 0.194 0.000 0.995 176 Q CB 0.356 29.178 28.738 0.139 0.000 1.107 176 Q HN 0.397 nan 8.270 nan 0.000 0.380 177 I N 0.626 121.321 120.570 0.209 0.000 2.740 177 I HA 0.553 4.724 4.170 0.001 0.000 0.303 177 I C -0.103 176.112 176.117 0.162 0.000 1.044 177 I CA -1.102 60.309 61.300 0.185 0.000 1.064 177 I CB 2.023 40.143 38.000 0.200 0.000 1.249 177 I HN 0.635 nan 8.210 nan 0.000 0.433 178 S N 2.204 117.995 115.700 0.151 0.000 2.576 178 S HA 0.082 4.553 4.470 0.001 0.000 0.272 178 S C 0.559 175.256 174.600 0.161 0.000 1.352 178 S CA -0.120 58.168 58.200 0.146 0.000 1.021 178 S CB 0.800 64.087 63.200 0.144 0.000 0.887 178 S HN 0.742 nan 8.310 nan 0.000 0.542 179 D N 0.499 120.987 120.400 0.147 0.000 2.149 179 D HA -0.149 4.491 4.640 0.001 0.000 0.198 179 D C 1.440 177.830 176.300 0.149 0.000 0.990 179 D CA 1.748 55.828 54.000 0.134 0.000 0.839 179 D CB -0.571 40.297 40.800 0.113 0.000 0.948 179 D HN 0.796 nan 8.370 nan 0.000 0.460 180 Y N 1.831 122.157 120.300 0.044 0.000 2.128 180 Y HA -0.241 4.309 4.550 0.001 0.000 0.284 180 Y C 1.787 177.713 175.900 0.043 0.000 1.154 180 Y CA 1.851 59.970 58.100 0.032 0.000 1.149 180 Y CB 0.000 38.473 38.460 0.021 0.000 0.976 180 Y HN -0.158 nan 8.280 nan 0.000 0.505 181 D N 0.164 120.715 120.400 0.250 0.000 2.144 181 D HA -0.158 4.482 4.640 0.001 0.000 0.200 181 D C 2.275 178.625 176.300 0.083 0.000 0.978 181 D CA 1.540 55.633 54.000 0.156 0.000 0.833 181 D CB -0.260 40.654 40.800 0.190 0.000 0.961 181 D HN 0.475 nan 8.370 nan 0.000 0.470 182 I N 0.427 121.056 120.570 0.097 0.000 2.226 182 I HA -0.265 3.905 4.170 0.001 0.000 0.245 182 I C 2.435 178.588 176.117 0.060 0.000 1.100 182 I CA 0.846 62.198 61.300 0.086 0.000 1.374 182 I CB -0.182 37.877 38.000 0.099 0.000 1.057 182 I HN -0.032 nan 8.210 nan 0.000 0.413 183 M N -0.151 119.465 119.600 0.026 0.000 2.080 183 M HA -0.210 4.271 4.480 0.001 0.000 0.260 183 M C 2.541 178.858 176.300 0.029 0.000 1.068 183 M CA 1.711 57.020 55.300 0.016 0.000 1.109 183 M CB -0.446 32.119 32.600 -0.058 0.000 1.342 183 M HN 0.122 nan 8.290 nan 0.000 0.405 184 S N 0.522 116.183 115.700 -0.065 0.000 2.359 184 S HA -0.158 4.312 4.470 0.001 0.000 0.224 184 S C 2.082 176.722 174.600 0.067 0.000 1.035 184 S CA 1.502 59.676 58.200 -0.043 0.000 1.018 184 S CB -0.430 62.713 63.200 -0.096 0.000 0.876 184 S HN 0.576 nan 8.310 nan 0.000 0.448 185 A N 1.168 124.024 122.820 0.061 0.000 1.877 185 A HA -0.036 4.284 4.320 0.001 0.000 0.216 185 A C 2.156 179.790 177.584 0.082 0.000 1.186 185 A CA 1.491 53.567 52.037 0.065 0.000 0.620 185 A CB -0.621 18.419 19.000 0.067 0.000 0.822 185 A HN 0.470 nan 8.150 nan 0.000 0.443 186 M N -2.247 117.414 119.600 0.102 0.000 2.149 186 M HA -0.170 4.310 4.480 0.001 0.000 0.261 186 M C 2.142 178.538 176.300 0.160 0.000 1.064 186 M CA 1.870 57.236 55.300 0.111 0.000 1.102 186 M CB -0.400 32.265 32.600 0.108 0.000 1.369 186 M HN 0.645 nan 8.290 nan 0.000 0.408 187 Y N 0.425 120.786 120.300 0.102 0.000 2.165 187 Y HA -0.274 4.277 4.550 0.001 0.000 0.286 187 Y C 2.297 178.253 175.900 0.093 0.000 1.155 187 Y CA 1.878 60.077 58.100 0.164 0.000 1.164 187 Y CB -0.161 38.396 38.460 0.162 0.000 0.978 187 Y HN 0.194 nan 8.280 nan 0.000 0.513 188 A N -0.687 122.256 122.820 0.205 0.000 1.897 188 A HA -0.140 4.180 4.320 0.001 0.000 0.215 188 A C 2.276 179.776 177.584 -0.140 0.000 1.181 188 A CA 2.041 54.093 52.037 0.025 0.000 0.620 188 A CB -1.422 17.573 19.000 -0.007 0.000 0.821 188 A HN 0.582 nan 8.150 nan 0.000 0.443 189 T N -2.186 112.308 114.554 -0.101 0.000 2.777 189 T HA -0.146 4.204 4.350 0.001 0.000 0.266 189 T C 2.029 176.718 174.700 -0.019 0.000 1.040 189 T CA 1.278 63.312 62.100 -0.109 0.000 1.141 189 T CB -0.363 68.523 68.868 0.029 0.000 0.868 189 T HN 0.446 nan 8.240 nan 0.000 0.444 190 R N 1.348 121.846 120.500 -0.003 0.000 2.073 190 R HA -0.055 4.285 4.340 0.001 0.000 0.234 190 R C 2.655 178.944 176.300 -0.019 0.000 1.134 190 R CA 1.644 57.756 56.100 0.019 0.000 0.952 190 R CB -0.310 30.024 30.300 0.056 0.000 0.850 190 R HN 0.473 nan 8.270 nan 0.000 0.433 191 K N -0.001 120.311 120.400 -0.147 0.000 2.152 191 K HA -0.105 4.216 4.320 0.001 0.000 0.206 191 K C 1.051 177.492 176.600 -0.265 0.000 1.048 191 K CA 1.558 57.592 56.287 -0.422 0.000 0.933 191 K CB 0.047 32.084 32.500 -0.772 0.000 0.721 191 K HN 0.251 nan 8.250 nan 0.000 0.447 192 N N -0.466 118.133 118.700 -0.167 0.000 2.236 192 N HA 0.029 4.770 4.740 0.001 0.000 0.196 192 N C 0.272 175.829 175.510 0.077 0.000 1.114 192 N CA 0.809 53.812 53.050 -0.078 0.000 0.859 192 N CB 1.195 39.575 38.487 -0.180 0.000 0.982 192 N HN 0.397 nan 8.380 nan 0.000 0.493 193 G N 1.367 110.204 108.800 0.062 0.000 2.225 193 G HA2 -0.299 3.661 3.960 0.001 0.000 0.267 193 G HA3 -0.299 3.661 3.960 0.001 0.000 0.267 193 G C 0.028 175.012 174.900 0.140 0.000 1.024 193 G CA -0.059 45.082 45.100 0.068 0.000 0.784 193 G HN 0.332 nan 8.290 nan 0.000 0.507 194 F N 0.351 120.261 119.950 -0.066 0.000 2.444 194 F HA 0.382 4.909 4.527 0.001 0.000 0.331 194 F C 1.434 177.236 175.800 0.004 0.000 1.167 194 F CA 0.047 58.035 58.000 -0.020 0.000 1.262 194 F CB 0.880 39.888 39.000 0.014 0.000 1.196 194 F HN 0.003 nan 8.300 nan 0.000 0.583 195 T N 1.627 116.263 114.554 0.138 0.000 2.729 195 T HA 0.172 4.522 4.350 0.001 0.000 0.296 195 T C -0.195 174.607 174.700 0.170 0.000 0.928 195 T CA -0.480 61.684 62.100 0.106 0.000 1.045 195 T CB 0.434 69.346 68.868 0.073 0.000 0.902 195 T HN 0.424 nan 8.240 nan 0.000 0.500 196 T N 5.771 120.392 114.554 0.112 0.000 2.744 196 T HA 0.501 4.852 4.350 0.001 0.000 0.291 196 T C 0.106 174.810 174.700 0.007 0.000 0.957 196 T CA -0.531 61.618 62.100 0.082 0.000 1.002 196 T CB 0.325 69.219 68.868 0.043 0.000 0.919 196 T HN 0.428 nan 8.240 nan 0.000 0.468 197 M N 3.768 123.377 119.600 0.015 0.000 2.383 197 M HA 0.595 5.075 4.480 0.001 0.000 0.325 197 M C -1.062 175.184 176.300 -0.089 0.000 1.092 197 M CA -0.689 54.584 55.300 -0.044 0.000 0.961 197 M CB 1.779 34.376 32.600 -0.005 0.000 1.672 197 M HN 0.320 nan 8.290 nan 0.000 0.438 198 L N 1.342 122.469 121.223 -0.160 0.000 2.410 198 L HA 0.406 4.746 4.340 0.001 0.000 0.270 198 L C -0.783 176.089 176.870 0.002 0.000 0.983 198 L CA -0.485 54.300 54.840 -0.093 0.000 0.822 198 L CB 2.014 44.009 42.059 -0.107 0.000 1.285 198 L HN 0.661 nan 8.230 nan 0.000 0.409 199 H N 3.061 122.048 119.070 -0.138 0.000 2.820 199 H HA 0.562 5.118 4.556 0.001 0.000 0.278 199 H C -0.283 175.149 175.328 0.174 0.000 1.142 199 H CA -0.584 55.464 56.048 0.000 0.000 1.346 199 H CB 0.931 30.613 29.762 -0.134 0.000 1.438 199 H HN 0.677 nan 8.280 nan 0.000 0.473 200 A N 5.712 128.764 122.820 0.386 0.000 2.774 200 A HA 0.250 4.570 4.320 0.001 0.000 0.326 200 A C -0.324 177.415 177.584 0.259 0.000 1.478 200 A CA -0.517 51.722 52.037 0.338 0.000 1.099 200 A CB -0.010 19.205 19.000 0.358 0.000 1.148 200 A HN 0.858 nan 8.150 nan 0.000 0.519 201 E N 1.117 121.508 120.200 0.318 0.000 2.266 201 E HA 0.164 4.515 4.350 0.001 0.000 0.268 201 E C -0.876 175.807 176.600 0.138 0.000 0.879 201 E CA -1.011 55.503 56.400 0.189 0.000 0.762 201 E CB 1.547 31.372 29.700 0.209 0.000 1.199 201 E HN 0.553 nan 8.360 nan 0.000 0.422 202 N N 1.782 120.529 118.700 0.079 0.000 2.400 202 N HA 0.008 4.748 4.740 0.001 0.000 0.267 202 N C 0.822 176.363 175.510 0.052 0.000 1.208 202 N CA 0.212 53.300 53.050 0.063 0.000 0.951 202 N CB 1.020 39.528 38.487 0.035 0.000 1.227 202 N HN 0.762 nan 8.380 nan 0.000 0.488 203 G N 3.178 112.016 108.800 0.062 0.000 2.442 203 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 203 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 203 G C 1.063 175.991 174.900 0.047 0.000 1.141 203 G CA 0.522 45.646 45.100 0.040 0.000 0.763 203 G HN 0.522 nan 8.290 nan 0.000 0.554 204 D N 0.290 120.726 120.400 0.060 0.000 2.117 204 D HA -0.069 4.571 4.640 0.001 0.000 0.197 204 D C 2.670 179.031 176.300 0.102 0.000 0.987 204 D CA 0.921 54.967 54.000 0.077 0.000 0.829 204 D CB -0.184 40.652 40.800 0.059 0.000 0.961 204 D HN 0.306 nan 8.370 nan 0.000 0.460 205 M N -0.287 119.350 119.600 0.062 0.000 2.132 205 M HA -0.110 4.371 4.480 0.001 0.000 0.263 205 M C 2.178 178.540 176.300 0.103 0.000 1.065 205 M CA 0.742 56.080 55.300 0.062 0.000 1.122 205 M CB -0.095 32.509 32.600 0.006 0.000 1.365 205 M HN -0.068 nan 8.290 nan 0.000 0.411 206 V N 0.764 120.713 119.914 0.059 0.000 2.295 206 V HA -0.297 3.823 4.120 0.001 0.000 0.246 206 V C 2.382 178.515 176.094 0.066 0.000 1.049 206 V CA 2.000 64.323 62.300 0.037 0.000 1.024 206 V CB -0.819 30.990 31.823 -0.024 0.000 0.648 206 V HN 0.472 nan 8.190 nan 0.000 0.447 207 K N -1.244 119.195 120.400 0.065 0.000 2.009 207 K HA -0.278 4.042 4.320 0.001 0.000 0.210 207 K C 2.062 178.715 176.600 0.088 0.000 1.049 207 K CA 2.261 58.579 56.287 0.050 0.000 0.929 207 K CB -0.351 32.177 32.500 0.047 0.000 0.714 207 K HN 0.534 nan 8.250 nan 0.000 0.440 208 W N 0.815 122.103 121.300 -0.021 0.000 2.335 208 W HA -0.246 4.414 4.660 0.001 0.000 0.311 208 W C 2.184 178.695 176.519 -0.013 0.000 1.213 208 W CA 1.729 59.064 57.345 -0.017 0.000 1.274 208 W CB -0.153 29.299 29.460 -0.013 0.000 1.148 208 W HN 0.155 nan 8.180 nan 0.000 0.498 209 M N 0.050 119.884 119.600 0.390 0.000 2.254 209 M HA -0.070 4.410 4.480 0.001 0.000 0.265 209 M C 1.776 178.148 176.300 0.121 0.000 1.066 209 M CA 1.600 57.073 55.300 0.288 0.000 1.123 209 M CB -0.861 31.875 32.600 0.228 0.000 1.388 209 M HN 0.075 nan 8.290 nan 0.000 0.425 210 I N -0.301 120.327 120.570 0.096 0.000 2.163 210 I HA -0.332 3.838 4.170 0.001 0.000 0.243 210 I C 2.019 178.089 176.117 -0.078 0.000 1.085 210 I CA 1.574 62.919 61.300 0.075 0.000 1.347 210 I CB -0.516 37.480 38.000 -0.007 0.000 1.044 210 I HN 0.338 nan 8.210 nan 0.000 0.408 211 E N 0.829 120.931 120.200 -0.164 0.000 2.077 211 E HA -0.223 4.128 4.350 0.001 0.000 0.193 211 E C 2.319 178.750 176.600 -0.281 0.000 0.989 211 E CA 1.310 57.559 56.400 -0.253 0.000 0.800 211 E CB -0.223 29.279 29.700 -0.329 0.000 0.746 211 E HN 0.528 nan 8.360 nan 0.000 0.452 212 A N 0.954 123.572 122.820 -0.337 0.000 1.902 212 A HA -0.163 4.157 4.320 0.001 0.000 0.217 212 A C 2.165 179.672 177.584 -0.128 0.000 1.181 212 A CA 1.105 52.969 52.037 -0.287 0.000 0.623 212 A CB -0.546 18.313 19.000 -0.235 0.000 0.818 212 A HN 0.131 nan 8.150 nan 0.000 0.443 213 L N -0.947 120.239 121.223 -0.061 0.000 2.072 213 L HA -0.162 4.179 4.340 0.001 0.000 0.205 213 L C 2.586 179.411 176.870 -0.074 0.000 1.079 213 L CA 1.492 56.307 54.840 -0.042 0.000 0.752 213 L CB -0.541 41.563 42.059 0.076 0.000 0.906 213 L HN 0.440 nan 8.230 nan 0.000 0.436 214 E N -0.063 120.085 120.200 -0.088 0.000 2.118 214 E HA -0.301 4.050 4.350 0.001 0.000 0.195 214 E C 1.972 178.507 176.600 -0.108 0.000 0.992 214 E CA 1.399 57.726 56.400 -0.121 0.000 0.804 214 E CB -0.035 29.556 29.700 -0.181 0.000 0.741 214 E HN 0.369 nan 8.360 nan 0.000 0.458 215 E N 1.259 121.386 120.200 -0.121 0.000 2.160 215 E HA -0.216 4.134 4.350 0.001 0.000 0.195 215 E C 1.489 178.040 176.600 -0.082 0.000 0.991 215 E CA 1.374 57.710 56.400 -0.107 0.000 0.810 215 E CB 0.025 29.645 29.700 -0.133 0.000 0.742 215 E HN 0.252 nan 8.360 nan 0.000 0.466 216 Q N -1.072 118.676 119.800 -0.085 0.000 2.360 216 Q HA 0.197 4.537 4.340 0.001 0.000 0.202 216 Q C 0.746 176.700 176.000 -0.077 0.000 0.915 216 Q CA 0.325 56.084 55.803 -0.075 0.000 0.943 216 Q CB 0.714 29.403 28.738 -0.081 0.000 1.064 216 Q HN 0.452 nan 8.270 nan 0.000 0.511 217 G N 1.442 110.197 108.800 -0.074 0.000 2.153 217 G HA2 -0.269 3.691 3.960 0.001 0.000 0.252 217 G HA3 -0.269 3.691 3.960 0.001 0.000 0.252 217 G C 0.082 174.942 174.900 -0.067 0.000 0.994 217 G CA -0.073 44.996 45.100 -0.052 0.000 0.698 217 G HN 0.333 nan 8.290 nan 0.000 0.521 218 L N 1.889 123.017 121.223 -0.158 0.000 2.389 218 L HA 0.372 4.713 4.340 0.001 0.000 0.265 218 L C 1.568 178.408 176.870 -0.049 0.000 1.167 218 L CA 0.405 55.015 54.840 -0.383 0.000 1.045 218 L CB 0.213 41.732 42.059 -0.900 0.000 1.351 218 L HN 0.360 nan 8.230 nan 0.000 0.419 219 T N -4.742 109.929 114.554 0.195 0.000 3.040 219 T HA 0.143 4.494 4.350 0.001 0.000 0.266 219 T C 0.515 175.529 174.700 0.524 0.000 1.005 219 T CA -0.539 61.768 62.100 0.345 0.000 0.906 219 T CB 0.212 69.132 68.868 0.086 0.000 1.082 219 T HN 0.165 nan 8.240 nan 0.000 0.531 220 D N 1.745 122.474 120.400 0.548 0.000 2.378 220 D HA 0.502 5.142 4.640 0.001 0.000 0.238 220 D C 1.593 178.112 176.300 0.366 0.000 1.180 220 D CA 0.316 54.572 54.000 0.427 0.000 0.895 220 D CB 0.896 41.909 40.800 0.354 0.000 1.192 220 D HN 0.219 nan 8.370 nan 0.000 0.438 221 A N 1.794 124.737 122.820 0.205 0.000 1.948 221 A HA -0.282 4.039 4.320 0.001 0.000 0.220 221 A C 2.007 179.571 177.584 -0.033 0.000 1.177 221 A CA 1.534 53.618 52.037 0.078 0.000 0.636 221 A CB -1.090 17.879 19.000 -0.052 0.000 0.815 221 A HN 0.728 nan 8.150 nan 0.000 0.449 222 Y N -0.667 119.505 120.300 -0.212 0.000 2.256 222 Y HA -0.262 4.288 4.550 0.001 0.000 0.288 222 Y C 1.742 177.346 175.900 -0.493 0.000 1.155 222 Y CA 1.747 59.621 58.100 -0.375 0.000 1.203 222 Y CB -0.507 37.644 38.460 -0.515 0.000 0.980 222 Y HN 0.444 nan 8.280 nan 0.000 0.530 223 Y N -1.503 118.536 120.300 -0.436 0.000 2.578 223 Y HA -0.075 4.476 4.550 0.001 0.000 0.297 223 Y C 2.369 177.534 175.900 -1.226 0.000 1.176 223 Y CA 0.818 58.495 58.100 -0.706 0.000 1.315 223 Y CB -0.468 37.788 38.460 -0.339 0.000 1.031 223 Y HN 0.301 nan 8.280 nan 0.000 0.524 224 H N -0.133 118.206 119.070 -1.218 0.000 2.352 224 H HA -0.128 4.429 4.556 0.001 0.000 0.299 224 H C 2.366 177.391 175.328 -0.506 0.000 1.097 224 H CA 1.841 57.313 56.048 -0.959 0.000 1.311 224 H CB -0.462 29.051 29.762 -0.416 0.000 1.377 224 H HN 0.288 nan 8.280 nan 0.000 0.504 225 G N -0.215 108.243 108.800 -0.569 0.000 2.402 225 G HA2 -0.186 3.774 3.960 0.001 0.000 0.216 225 G HA3 -0.186 3.774 3.960 0.001 0.000 0.216 225 G C 1.827 176.481 174.900 -0.411 0.000 1.162 225 G CA 1.037 45.855 45.100 -0.470 0.000 0.777 225 G HN 0.391 nan 8.290 nan 0.000 0.539 226 V N 2.135 121.773 119.914 -0.459 0.000 2.469 226 V HA -0.207 3.913 4.120 0.001 0.000 0.251 226 V C 3.179 179.175 176.094 -0.165 0.000 1.064 226 V CA 2.214 64.357 62.300 -0.262 0.000 1.066 226 V CB -0.636 31.100 31.823 -0.144 0.000 0.667 226 V HN 0.604 nan 8.190 nan 0.000 0.461 227 S N 1.435 117.003 115.700 -0.220 0.000 2.474 227 S HA -0.144 4.326 4.470 0.001 0.000 0.235 227 S C 1.118 175.667 174.600 -0.085 0.000 0.997 227 S CA 0.777 58.925 58.200 -0.087 0.000 0.949 227 S CB -0.226 62.964 63.200 -0.017 0.000 0.766 227 S HN 0.840 nan 8.310 nan 0.000 0.517 228 R N 0.178 120.579 120.500 -0.165 0.000 2.837 228 R HA 0.381 4.721 4.340 0.001 0.000 0.245 228 R C -3.401 172.816 176.300 -0.138 0.000 1.712 228 R CA -1.467 54.552 56.100 -0.135 0.000 1.539 228 R CB 0.028 30.228 30.300 -0.166 0.000 1.490 228 R HN 0.186 nan 8.270 nan 0.000 0.667 229 P HA 0.056 nan 4.420 nan 0.000 0.271 229 P C 0.492 177.745 177.300 -0.079 0.000 1.244 229 P CA -0.166 62.880 63.100 -0.090 0.000 0.793 229 P CB 0.994 32.656 31.700 -0.062 0.000 0.984 230 S N 0.219 115.875 115.700 -0.073 0.000 2.420 230 S HA -0.160 4.310 4.470 0.001 0.000 0.237 230 S C 1.804 176.366 174.600 -0.064 0.000 1.023 230 S CA 0.768 58.925 58.200 -0.073 0.000 0.991 230 S CB -0.878 62.285 63.200 -0.062 0.000 0.792 230 S HN 0.497 nan 8.310 nan 0.000 0.488 231 I N 1.037 121.575 120.570 -0.053 0.000 2.361 231 I HA -0.160 4.010 4.170 0.001 0.000 0.251 231 I C 1.806 177.897 176.117 -0.045 0.000 1.133 231 I CA 0.946 62.217 61.300 -0.048 0.000 1.413 231 I CB -0.026 37.949 38.000 -0.042 0.000 1.073 231 I HN 0.127 nan 8.210 nan 0.000 0.424 232 V N 0.696 120.584 119.914 -0.043 0.000 2.307 232 V HA -0.296 3.824 4.120 0.001 0.000 0.245 232 V C 2.405 178.486 176.094 -0.020 0.000 1.045 232 V CA 2.273 64.555 62.300 -0.029 0.000 1.024 232 V CB -0.696 31.109 31.823 -0.029 0.000 0.651 232 V HN 0.504 nan 8.190 nan 0.000 0.449 233 E N 0.235 120.414 120.200 -0.036 0.000 2.106 233 E HA -0.164 4.187 4.350 0.001 0.000 0.192 233 E C 2.277 178.837 176.600 -0.068 0.000 0.984 233 E CA 1.251 57.628 56.400 -0.039 0.000 0.806 233 E CB -0.394 29.264 29.700 -0.071 0.000 0.750 233 E HN 0.579 nan 8.360 nan 0.000 0.458 234 G N 1.509 110.264 108.800 -0.075 0.000 2.446 234 G HA2 -0.327 3.633 3.960 0.001 0.000 0.217 234 G HA3 -0.327 3.633 3.960 0.001 0.000 0.217 234 G C 1.505 176.361 174.900 -0.074 0.000 1.168 234 G CA 0.875 45.922 45.100 -0.087 0.000 0.771 234 G HN 0.250 nan 8.290 nan 0.000 0.551 235 E N 1.232 121.404 120.200 -0.045 0.000 2.038 235 E HA -0.143 4.207 4.350 0.001 0.000 0.195 235 E C 2.862 179.458 176.600 -0.008 0.000 1.000 235 E CA 1.480 57.864 56.400 -0.026 0.000 0.803 235 E CB -0.567 29.122 29.700 -0.018 0.000 0.750 235 E HN 0.271 nan 8.360 nan 0.000 0.448 236 A N 0.195 123.022 122.820 0.011 0.000 1.902 236 A HA -0.143 4.177 4.320 0.001 0.000 0.217 236 A C 2.474 180.098 177.584 0.067 0.000 1.181 236 A CA 2.217 54.291 52.037 0.061 0.000 0.623 236 A CB -0.960 18.100 19.000 0.100 0.000 0.818 236 A HN 0.386 nan 8.150 nan 0.000 0.443 237 T N 0.220 114.744 114.554 -0.050 0.000 2.684 237 T HA -0.187 4.164 4.350 0.001 0.000 0.267 237 T C 1.913 176.535 174.700 -0.131 0.000 1.036 237 T CA 1.716 63.655 62.100 -0.268 0.000 1.148 237 T CB -0.491 68.048 68.868 -0.549 0.000 0.863 237 T HN 0.701 nan 8.240 nan 0.000 0.436 238 N N 0.895 119.544 118.700 -0.086 0.000 2.069 238 N HA -0.142 4.599 4.740 0.001 0.000 0.191 238 N C 1.967 177.495 175.510 0.030 0.000 1.031 238 N CA 1.389 54.419 53.050 -0.034 0.000 0.852 238 N CB -0.150 38.316 38.487 -0.035 0.000 1.018 238 N HN 0.310 nan 8.380 nan 0.000 0.423 239 R N -0.219 120.310 120.500 0.047 0.000 2.091 239 R HA -0.069 4.271 4.340 0.001 0.000 0.238 239 R C 1.987 178.354 176.300 0.113 0.000 1.136 239 R CA 1.529 57.672 56.100 0.071 0.000 0.959 239 R CB -0.418 29.924 30.300 0.070 0.000 0.856 239 R HN 0.324 nan 8.270 nan 0.000 0.437 240 A N 0.789 123.718 122.820 0.181 0.000 1.930 240 A HA -0.095 4.225 4.320 0.001 0.000 0.217 240 A C 2.147 179.872 177.584 0.234 0.000 1.175 240 A CA 1.311 53.496 52.037 0.246 0.000 0.627 240 A CB -0.440 18.825 19.000 0.441 0.000 0.815 240 A HN 0.376 nan 8.150 nan 0.000 0.443 241 I N -0.227 120.509 120.570 0.278 0.000 2.226 241 I HA -0.235 3.935 4.170 0.001 0.000 0.245 241 I C 2.539 178.707 176.117 0.085 0.000 1.100 241 I CA 1.757 63.165 61.300 0.180 0.000 1.374 241 I CB -0.567 37.512 38.000 0.131 0.000 1.057 241 I HN 0.260 nan 8.210 nan 0.000 0.413 242 T N 1.349 115.947 114.554 0.074 0.000 2.746 242 T HA -0.128 4.222 4.350 0.001 0.000 0.267 242 T C 1.939 176.673 174.700 0.057 0.000 1.039 242 T CA 1.221 63.353 62.100 0.053 0.000 1.142 242 T CB -0.337 68.558 68.868 0.046 0.000 0.866 242 T HN 0.240 nan 8.240 nan 0.000 0.444 243 L N 0.839 122.104 121.223 0.069 0.000 1.994 243 L HA -0.113 4.227 4.340 0.001 0.000 0.208 243 L C 3.125 180.032 176.870 0.061 0.000 1.071 243 L CA 1.427 56.308 54.840 0.068 0.000 0.745 243 L CB -0.793 41.311 42.059 0.075 0.000 0.892 243 L HN 0.251 nan 8.230 nan 0.000 0.431 244 A N -0.411 122.434 122.820 0.042 0.000 1.933 244 A HA -0.185 4.136 4.320 0.001 0.000 0.218 244 A C 2.351 179.920 177.584 -0.024 0.000 1.175 244 A CA 2.275 54.314 52.037 0.004 0.000 0.628 244 A CB -0.857 18.129 19.000 -0.024 0.000 0.814 244 A HN 0.433 nan 8.150 nan 0.000 0.444 245 T N -0.340 114.208 114.554 -0.010 0.000 2.701 245 T HA -0.121 4.229 4.350 0.001 0.000 0.263 245 T C 2.027 176.732 174.700 0.009 0.000 1.040 245 T CA 1.909 63.990 62.100 -0.032 0.000 1.147 245 T CB -0.731 68.132 68.868 -0.008 0.000 0.865 245 T HN 0.505 nan 8.240 nan 0.000 0.426 246 T N 2.201 116.803 114.554 0.080 0.000 2.737 246 T HA -0.054 4.297 4.350 0.001 0.000 0.269 246 T C 1.639 176.529 174.700 0.317 0.000 1.040 246 T CA 1.031 63.237 62.100 0.177 0.000 1.142 246 T CB -0.206 68.735 68.868 0.121 0.000 0.861 246 T HN 0.181 nan 8.240 nan 0.000 0.456 247 M N 0.649 120.376 119.600 0.211 0.000 2.495 247 M HA 0.191 4.671 4.480 0.001 0.000 0.237 247 M C 0.598 176.917 176.300 0.031 0.000 1.131 247 M CA 0.144 55.631 55.300 0.311 0.000 1.032 247 M CB -0.841 31.895 32.600 0.227 0.000 1.513 247 M HN 0.152 nan 8.290 nan 0.000 0.488 248 D N 1.994 122.215 120.400 -0.298 0.000 2.708 248 D HA -0.137 4.503 4.640 0.001 0.000 0.236 248 D C -0.953 175.169 176.300 -0.296 0.000 1.146 248 D CA 0.770 54.410 54.000 -0.600 0.000 0.662 248 D CB -0.674 39.166 40.800 -1.599 0.000 1.059 248 D HN 0.230 nan 8.370 nan 0.000 0.428 249 T N 1.393 115.860 114.554 -0.145 0.000 2.786 249 T HA 0.516 4.867 4.350 0.001 0.000 0.283 249 T C -2.429 172.222 174.700 -0.082 0.000 0.992 249 T CA -1.308 60.749 62.100 -0.071 0.000 0.954 249 T CB 1.987 70.852 68.868 -0.004 0.000 0.934 249 T HN -0.070 nan 8.240 nan 0.000 0.440 250 P HA 0.210 nan 4.420 nan 0.000 0.262 250 P C -0.693 176.575 177.300 -0.054 0.000 1.182 250 P CA -0.058 63.007 63.100 -0.059 0.000 0.761 250 P CB 0.463 32.186 31.700 0.038 0.000 0.795 251 I N 3.528 124.026 120.570 -0.120 0.000 2.619 251 I HA 0.481 4.651 4.170 0.001 0.000 0.292 251 I C -1.653 174.351 176.117 -0.190 0.000 1.100 251 I CA -1.289 59.903 61.300 -0.181 0.000 1.043 251 I CB 1.776 39.611 38.000 -0.275 0.000 1.239 251 I HN 0.168 nan 8.210 nan 0.000 0.420 252 L N 7.184 128.290 121.223 -0.196 0.000 2.356 252 L HA 0.567 4.907 4.340 0.001 0.000 0.277 252 L C -1.561 175.158 176.870 -0.251 0.000 0.996 252 L CA -0.367 54.419 54.840 -0.091 0.000 0.822 252 L CB 1.501 43.579 42.059 0.031 0.000 1.256 252 L HN 0.469 nan 8.230 nan 0.000 0.413 253 F N 4.995 124.979 119.950 0.056 0.000 2.411 253 F HA 0.402 4.929 4.527 0.001 0.000 0.355 253 F C 0.530 176.319 175.800 -0.019 0.000 1.117 253 F CA -0.558 57.450 58.000 0.014 0.000 1.139 253 F CB 1.436 40.452 39.000 0.026 0.000 1.120 253 F HN 0.268 nan 8.300 nan 0.000 0.493 254 V N 0.993 120.911 119.914 0.007 0.000 2.953 254 V HA 0.284 4.405 4.120 0.001 0.000 0.304 254 V C -0.002 175.850 176.094 -0.403 0.000 1.073 254 V CA -1.060 61.120 62.300 -0.199 0.000 1.064 254 V CB 0.675 32.335 31.823 -0.271 0.000 1.047 254 V HN 0.965 nan 8.190 nan 0.000 0.478 255 H N 0.161 119.182 119.070 -0.082 0.000 2.166 255 H HA -0.126 4.430 4.556 0.001 0.000 0.323 255 H C -0.385 174.810 175.328 -0.221 0.000 0.936 255 H CA 0.310 56.296 56.048 -0.104 0.000 1.073 255 H CB -2.706 27.025 29.762 -0.052 0.000 1.592 255 H HN 0.659 nan 8.280 nan 0.000 0.346 256 V N 1.093 120.953 119.914 -0.090 0.000 2.572 256 V HA 0.232 4.352 4.120 0.001 0.000 0.291 256 V C 1.359 177.214 176.094 -0.400 0.000 1.039 256 V CA 0.669 62.880 62.300 -0.149 0.000 1.055 256 V CB 1.382 33.263 31.823 0.096 0.000 0.969 256 V HN 0.929 nan 8.190 nan 0.000 0.482 257 S N 1.197 116.630 115.700 -0.445 0.000 2.744 257 S HA 0.153 4.624 4.470 0.001 0.000 0.265 257 S C 0.555 175.009 174.600 -0.243 0.000 1.065 257 S CA 0.228 58.087 58.200 -0.569 0.000 1.191 257 S CB 0.495 62.996 63.200 -1.165 0.000 1.150 257 S HN 0.680 nan 8.310 nan 0.000 0.646 258 S N 2.330 117.939 115.700 -0.152 0.000 2.442 258 S HA 0.580 5.050 4.470 0.001 0.000 0.297 258 S C -2.009 172.571 174.600 -0.034 0.000 1.131 258 S CA -1.550 56.596 58.200 -0.090 0.000 1.092 258 S CB 1.291 64.430 63.200 -0.102 0.000 0.998 258 S HN 0.001 nan 8.310 nan 0.000 0.478 259 P HA -0.130 nan 4.420 nan 0.000 0.216 259 P C 1.066 178.346 177.300 -0.034 0.000 1.153 259 P CA 1.286 64.382 63.100 -0.008 0.000 0.858 259 P CB 0.126 31.823 31.700 -0.005 0.000 0.789 260 Q N -0.760 119.011 119.800 -0.047 0.000 2.119 260 Q HA -0.060 4.280 4.340 0.001 0.000 0.201 260 Q C 2.252 178.200 176.000 -0.087 0.000 0.972 260 Q CA 1.840 57.607 55.803 -0.060 0.000 0.847 260 Q CB -1.212 27.491 28.738 -0.058 0.000 0.903 260 Q HN 0.190 nan 8.270 nan 0.000 0.433 261 A N 0.645 123.404 122.820 -0.101 0.000 1.873 261 A HA -0.041 4.280 4.320 0.001 0.000 0.215 261 A C 2.278 179.772 177.584 -0.149 0.000 1.186 261 A CA 1.535 53.477 52.037 -0.159 0.000 0.616 261 A CB -1.030 17.869 19.000 -0.169 0.000 0.823 261 A HN 0.372 nan 8.150 nan 0.000 0.442 262 A N -0.104 122.669 122.820 -0.078 0.000 1.940 262 A HA -0.204 4.116 4.320 0.001 0.000 0.219 262 A C 1.900 179.402 177.584 -0.137 0.000 1.176 262 A CA 1.792 53.765 52.037 -0.106 0.000 0.631 262 A CB -0.544 18.424 19.000 -0.054 0.000 0.814 262 A HN 0.660 nan 8.150 nan 0.000 0.446 263 E N -0.315 119.824 120.200 -0.101 0.000 2.051 263 E HA -0.143 4.207 4.350 0.001 0.000 0.192 263 E C 2.084 178.628 176.600 -0.094 0.000 0.991 263 E CA 1.698 58.045 56.400 -0.088 0.000 0.799 263 E CB -0.355 29.305 29.700 -0.065 0.000 0.748 263 E HN 0.644 nan 8.360 nan 0.000 0.449 264 V N -0.706 119.144 119.914 -0.106 0.000 2.548 264 V HA -0.151 3.970 4.120 0.001 0.000 0.249 264 V C 2.129 178.158 176.094 -0.109 0.000 1.055 264 V CA 1.070 63.310 62.300 -0.101 0.000 1.065 264 V CB -0.598 31.162 31.823 -0.105 0.000 0.681 264 V HN 0.156 nan 8.190 nan 0.000 0.462 265 I N 0.610 121.093 120.570 -0.145 0.000 2.142 265 I HA -0.221 3.950 4.170 0.001 0.000 0.240 265 I C 2.691 178.746 176.117 -0.104 0.000 1.078 265 I CA 2.258 63.487 61.300 -0.119 0.000 1.343 265 I CB -0.438 37.483 38.000 -0.132 0.000 1.046 265 I HN 0.324 nan 8.210 nan 0.000 0.405 266 K N 1.326 121.650 120.400 -0.127 0.000 2.044 266 K HA -0.257 4.064 4.320 0.001 0.000 0.210 266 K C 2.057 178.608 176.600 -0.083 0.000 1.049 266 K CA 1.851 58.069 56.287 -0.114 0.000 0.927 266 K CB -0.392 32.036 32.500 -0.119 0.000 0.713 266 K HN 0.338 nan 8.250 nan 0.000 0.443 267 Q N -0.654 119.102 119.800 -0.073 0.000 2.135 267 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 267 Q C 2.098 178.065 176.000 -0.055 0.000 0.981 267 Q CA 1.654 57.423 55.803 -0.057 0.000 0.856 267 Q CB -0.263 28.445 28.738 -0.051 0.000 0.902 267 Q HN 0.477 nan 8.270 nan 0.000 0.425 268 A N 0.903 123.688 122.820 -0.059 0.000 1.898 268 A HA -0.244 4.077 4.320 0.001 0.000 0.216 268 A C 1.972 179.511 177.584 -0.074 0.000 1.181 268 A CA 1.429 53.431 52.037 -0.058 0.000 0.620 268 A CB -0.421 18.551 19.000 -0.045 0.000 0.819 268 A HN 0.338 nan 8.150 nan 0.000 0.442 269 Q N -0.882 118.869 119.800 -0.081 0.000 2.084 269 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 269 Q C 2.140 178.102 176.000 -0.064 0.000 0.978 269 Q CA 1.896 57.648 55.803 -0.085 0.000 0.844 269 Q CB -0.426 28.263 28.738 -0.081 0.000 0.898 269 Q HN 0.651 nan 8.270 nan 0.000 0.426 270 T N 1.157 115.677 114.554 -0.056 0.000 2.788 270 T HA -0.124 4.226 4.350 0.001 0.000 0.268 270 T C 1.488 176.164 174.700 -0.041 0.000 1.044 270 T CA 1.114 63.187 62.100 -0.044 0.000 1.139 270 T CB -0.064 68.780 68.868 -0.041 0.000 0.867 270 T HN 0.217 nan 8.240 nan 0.000 0.454 271 K N 0.179 120.551 120.400 -0.045 0.000 2.365 271 K HA 0.112 4.432 4.320 0.001 0.000 0.199 271 K C 1.650 178.221 176.600 -0.048 0.000 1.045 271 K CA 0.627 56.889 56.287 -0.042 0.000 0.962 271 K CB 0.012 32.486 32.500 -0.043 0.000 0.759 271 K HN 0.461 nan 8.250 nan 0.000 0.469 272 G N 1.110 109.875 108.800 -0.058 0.000 2.176 272 G HA2 -0.234 3.726 3.960 0.001 0.000 0.232 272 G HA3 -0.234 3.726 3.960 0.001 0.000 0.232 272 G C 0.054 174.900 174.900 -0.090 0.000 0.986 272 G CA -0.334 44.728 45.100 -0.062 0.000 0.643 272 G HN 0.110 nan 8.290 nan 0.000 0.522 273 L N 0.601 121.761 121.223 -0.105 0.000 2.461 273 L HA 0.259 4.600 4.340 0.001 0.000 0.272 273 L C 1.108 177.852 176.870 -0.211 0.000 1.197 273 L CA 0.067 54.824 54.840 -0.138 0.000 0.836 273 L CB 0.443 42.432 42.059 -0.116 0.000 1.105 273 L HN 0.016 nan 8.230 nan 0.000 0.477 274 K N 2.969 123.214 120.400 -0.258 0.000 2.111 274 K HA 0.254 4.574 4.320 0.001 0.000 0.249 274 K C -1.108 175.102 176.600 -0.649 0.000 1.157 274 K CA -0.126 55.883 56.287 -0.463 0.000 1.048 274 K CB 0.159 32.492 32.500 -0.278 0.000 1.498 274 K HN 0.272 nan 8.250 nan 0.000 0.344 275 V N 4.147 123.666 119.914 -0.659 0.000 2.376 275 V HA 0.302 4.422 4.120 0.001 0.000 0.287 275 V C -0.742 175.066 176.094 -0.476 0.000 1.015 275 V CA -0.934 61.109 62.300 -0.428 0.000 0.834 275 V CB 0.329 32.090 31.823 -0.102 0.000 1.001 275 V HN 0.450 nan 8.190 nan 0.000 0.428 276 Y N 2.489 122.796 120.300 0.011 0.000 2.534 276 Y HA 0.878 5.429 4.550 0.001 0.000 0.329 276 Y C 0.449 176.421 175.900 0.121 0.000 1.154 276 Y CA -0.857 57.253 58.100 0.016 0.000 1.192 276 Y CB 1.943 40.359 38.460 -0.073 0.000 1.275 276 Y HN 0.682 nan 8.280 nan 0.000 0.491 277 A N 0.907 123.919 122.820 0.321 0.000 2.572 277 A HA 0.582 4.902 4.320 0.001 0.000 0.295 277 A C -1.631 176.160 177.584 0.344 0.000 1.072 277 A CA -0.778 51.481 52.037 0.369 0.000 0.691 277 A CB 2.019 21.286 19.000 0.444 0.000 1.291 277 A HN 0.721 nan 8.150 nan 0.000 0.404 278 E N 0.713 121.065 120.200 0.253 0.000 2.222 278 E HA 0.629 4.979 4.350 0.001 0.000 0.267 278 E C -0.877 175.663 176.600 -0.100 0.000 0.884 278 E CA -0.267 56.203 56.400 0.117 0.000 0.764 278 E CB 2.007 31.781 29.700 0.123 0.000 1.169 278 E HN 0.650 nan 8.360 nan 0.000 0.413 279 T N 1.592 115.956 114.554 -0.317 0.000 2.807 279 T HA 0.629 4.979 4.350 0.001 0.000 0.277 279 T C -1.161 173.444 174.700 -0.157 0.000 1.006 279 T CA -0.317 61.510 62.100 -0.454 0.000 1.006 279 T CB 0.957 69.128 68.868 -1.161 0.000 1.274 279 T HN 0.630 nan 8.240 nan 0.000 0.569 280 C N 2.007 121.275 119.300 -0.054 0.000 2.797 280 C HA 0.475 4.936 4.460 0.001 0.000 0.306 280 C C -1.507 173.384 174.990 -0.165 0.000 1.207 280 C CA -1.137 57.842 59.018 -0.065 0.000 1.507 280 C CB 1.672 29.381 27.740 -0.052 0.000 2.028 280 C HN 0.658 nan 8.230 nan 0.000 0.475 281 P HA -0.245 nan 4.420 nan 0.000 0.216 281 P C 1.736 178.941 177.300 -0.158 0.000 1.157 281 P CA 1.764 64.763 63.100 -0.170 0.000 0.880 281 P CB -0.005 31.627 31.700 -0.112 0.000 0.791 282 Q N -1.019 118.694 119.800 -0.145 0.000 2.234 282 Q HA -0.211 4.130 4.340 0.001 0.000 0.206 282 Q C 1.695 177.541 176.000 -0.257 0.000 0.980 282 Q CA 1.842 57.555 55.803 -0.151 0.000 0.869 282 Q CB -1.530 27.048 28.738 -0.266 0.000 0.912 282 Q HN 0.413 nan 8.270 nan 0.000 0.436 283 Y N 0.479 120.727 120.300 -0.088 0.000 2.519 283 Y HA 0.178 4.728 4.550 0.001 0.000 0.287 283 Y C 2.484 178.275 175.900 -0.183 0.000 1.128 283 Y CA 0.440 58.462 58.100 -0.129 0.000 1.282 283 Y CB 0.159 38.518 38.460 -0.168 0.000 1.027 283 Y HN 0.286 nan 8.280 nan 0.000 0.551 284 A N -0.819 121.887 122.820 -0.190 0.000 2.115 284 A HA 0.171 4.491 4.320 0.001 0.000 0.211 284 A C 1.689 179.218 177.584 -0.091 0.000 1.169 284 A CA 0.550 52.353 52.037 -0.391 0.000 0.787 284 A CB -0.227 18.075 19.000 -1.163 0.000 0.858 284 A HN 0.439 nan 8.150 nan 0.000 0.474 285 L N -1.028 120.174 121.223 -0.034 0.000 2.642 285 L HA 0.367 4.707 4.340 0.001 0.000 0.233 285 L C -0.266 176.643 176.870 0.066 0.000 1.077 285 L CA 0.153 55.021 54.840 0.047 0.000 0.879 285 L CB 0.304 42.346 42.059 -0.029 0.000 1.151 285 L HN 0.157 nan 8.230 nan 0.000 0.495 286 L N -0.589 120.666 121.223 0.052 0.000 2.354 286 L HA 0.505 4.846 4.340 0.001 0.000 0.269 286 L C -0.084 176.805 176.870 0.031 0.000 1.005 286 L CA -0.457 54.398 54.840 0.026 0.000 0.819 286 L CB 2.066 44.115 42.059 -0.017 0.000 1.311 286 L HN -0.034 nan 8.230 nan 0.000 0.423 287 S N -1.699 114.013 115.700 0.020 0.000 2.648 287 S HA 0.285 4.756 4.470 0.001 0.000 0.305 287 S C 0.256 174.863 174.600 0.011 0.000 1.094 287 S CA -0.599 57.623 58.200 0.038 0.000 0.983 287 S CB 1.725 64.961 63.200 0.061 0.000 1.101 287 S HN 0.740 nan 8.310 nan 0.000 0.514 288 D N 0.895 121.318 120.400 0.040 0.000 2.378 288 D HA -0.001 4.639 4.640 0.001 0.000 0.222 288 D C 1.626 177.973 176.300 0.078 0.000 0.980 288 D CA 0.952 54.981 54.000 0.048 0.000 0.907 288 D CB -0.568 40.267 40.800 0.058 0.000 0.899 288 D HN 0.630 nan 8.370 nan 0.000 0.527 289 A N 0.337 123.203 122.820 0.076 0.000 2.070 289 A HA -0.075 4.246 4.320 0.001 0.000 0.220 289 A C 2.113 179.692 177.584 -0.007 0.000 1.159 289 A CA 0.843 52.950 52.037 0.117 0.000 0.656 289 A CB -0.741 18.383 19.000 0.206 0.000 0.800 289 A HN 0.318 nan 8.150 nan 0.000 0.453 290 I N 0.376 120.807 120.570 -0.232 0.000 2.830 290 I HA -0.113 4.057 4.170 0.001 0.000 0.263 290 I C 2.275 178.040 176.117 -0.587 0.000 1.230 290 I CA 1.859 62.754 61.300 -0.675 0.000 1.480 290 I CB -0.093 37.404 38.000 -0.839 0.000 1.095 290 I HN 0.437 nan 8.210 nan 0.000 0.455 291 T N -1.569 112.837 114.554 -0.247 0.000 3.129 291 T HA 0.145 4.495 4.350 0.001 0.000 0.251 291 T C 0.662 175.319 174.700 -0.070 0.000 1.117 291 T CA -0.238 61.809 62.100 -0.088 0.000 1.034 291 T CB -0.287 68.595 68.868 0.023 0.000 0.968 291 T HN 0.423 nan 8.240 nan 0.000 0.526 292 R N -1.328 119.094 120.500 -0.129 0.000 2.764 292 R HA 0.704 5.045 4.340 0.001 0.000 0.270 292 R C -0.933 175.319 176.300 -0.078 0.000 1.014 292 R CA -0.931 55.080 56.100 -0.148 0.000 0.904 292 R CB 0.165 30.269 30.300 -0.327 0.000 1.236 292 R HN 0.022 nan 8.270 nan 0.000 0.466 293 C N 1.477 120.720 119.300 -0.095 0.000 2.741 293 C HA 0.337 4.798 4.460 0.001 0.000 0.403 293 C C 0.084 175.044 174.990 -0.050 0.000 1.282 293 C CA 1.274 60.275 59.018 -0.028 0.000 2.053 293 C CB -1.074 26.580 27.740 -0.143 0.000 2.731 293 C HN 0.773 nan 8.230 nan 0.000 0.680 304 V N -0.893 119.102 119.914 0.134 0.000 3.636 304 V HA 0.647 4.768 4.120 0.001 0.000 0.279 304 V C 0.850 177.127 176.094 0.306 0.000 1.263 304 V CA 0.792 63.184 62.300 0.154 0.000 1.182 304 V CB -0.315 31.617 31.823 0.182 0.000 0.955 304 V HN 0.504 nan 8.190 nan 0.000 0.443 305 G N -0.509 108.453 108.800 0.270 0.000 3.135 305 G HA2 0.659 4.620 3.960 0.001 0.000 0.278 305 G HA3 0.659 4.620 3.960 0.001 0.000 0.278 305 G C -0.832 174.192 174.900 0.207 0.000 1.302 305 G CA -1.218 44.039 45.100 0.261 0.000 0.880 305 G HN 0.207 nan 8.290 nan 0.000 0.574 306 I N 0.932 121.528 120.570 0.043 0.000 2.556 306 I HA 0.076 4.246 4.170 0.001 0.000 0.284 306 I C -0.039 176.166 176.117 0.147 0.000 1.114 306 I CA -0.041 61.296 61.300 0.062 0.000 1.418 306 I CB 1.177 39.162 38.000 -0.025 0.000 1.394 306 I HN 0.481 nan 8.210 nan 0.000 0.552 307 D N 6.233 126.746 120.400 0.188 0.000 2.363 307 D HA 0.021 4.662 4.640 0.001 0.000 0.263 307 D C 1.021 177.413 176.300 0.154 0.000 1.258 307 D CA 0.095 54.186 54.000 0.152 0.000 0.907 307 D CB 0.666 41.550 40.800 0.139 0.000 1.107 307 D HN 0.428 nan 8.370 nan 0.000 0.495 308 L N 3.029 124.352 121.223 0.166 0.000 2.191 308 L HA -0.138 4.202 4.340 0.001 0.000 0.212 308 L C 2.408 179.466 176.870 0.314 0.000 1.103 308 L CA 1.040 56.010 54.840 0.216 0.000 0.769 308 L CB -0.563 41.689 42.059 0.323 0.000 0.908 308 L HN 0.533 nan 8.230 nan 0.000 0.438 309 S N -1.079 114.772 115.700 0.252 0.000 2.481 309 S HA -0.124 4.346 4.470 0.001 0.000 0.231 309 S C 2.041 176.746 174.600 0.175 0.000 0.996 309 S CA 0.890 59.223 58.200 0.221 0.000 0.942 309 S CB -0.278 62.959 63.200 0.062 0.000 0.768 309 S HN 0.517 nan 8.310 nan 0.000 0.520 310 S N 1.031 116.824 115.700 0.155 0.000 2.527 310 S HA 0.270 4.741 4.470 0.001 0.000 0.222 310 S C 0.677 175.362 174.600 0.141 0.000 0.985 310 S CA -0.520 57.762 58.200 0.137 0.000 0.921 310 S CB -0.787 62.498 63.200 0.141 0.000 0.772 310 S HN 0.575 nan 8.310 nan 0.000 0.529 311 I N 3.116 123.771 120.570 0.142 0.000 2.556 311 I HA 0.114 4.284 4.170 0.001 0.000 0.284 311 I C 0.097 176.283 176.117 0.116 0.000 1.114 311 I CA -0.236 61.137 61.300 0.122 0.000 1.418 311 I CB 0.727 38.761 38.000 0.056 0.000 1.394 311 I HN 0.153 nan 8.210 nan 0.000 0.552 312 S N 4.792 120.565 115.700 0.122 0.000 2.586 312 S HA 0.184 4.654 4.470 0.001 0.000 0.274 312 S C 0.038 174.709 174.600 0.118 0.000 1.281 312 S CA -0.576 57.691 58.200 0.112 0.000 1.035 312 S CB 0.914 64.175 63.200 0.102 0.000 0.962 312 S HN 0.660 nan 8.310 nan 0.000 0.512 313 E N 0.399 120.664 120.200 0.109 0.000 2.252 313 E HA -0.161 4.189 4.350 0.001 0.000 0.199 313 E C -0.333 176.309 176.600 0.071 0.000 1.352 313 E CA 0.511 56.979 56.400 0.114 0.000 0.682 313 E CB -1.554 28.251 29.700 0.175 0.000 1.142 313 E HN 0.672 nan 8.360 nan 0.000 0.367 314 S N -1.605 114.120 115.700 0.042 0.000 2.704 314 S HA 0.676 5.146 4.470 0.001 0.000 0.296 314 S C -2.323 172.232 174.600 -0.075 0.000 1.138 314 S CA -1.542 56.639 58.200 -0.032 0.000 0.875 314 S CB 2.156 65.230 63.200 -0.210 0.000 1.151 314 S HN -0.182 nan 8.310 nan 0.000 0.500 315 P HA -0.047 nan 4.420 nan 0.000 0.218 315 P C 0.966 178.323 177.300 0.096 0.000 1.146 315 P CA 1.417 64.472 63.100 -0.076 0.000 0.813 315 P CB -0.166 31.442 31.700 -0.153 0.000 0.778 316 F N -0.526 119.412 119.950 -0.020 0.000 2.113 316 F HA -0.158 4.369 4.527 0.001 0.000 0.297 316 F C 2.452 178.259 175.800 0.011 0.000 1.103 316 F CA 1.379 59.375 58.000 -0.008 0.000 1.248 316 F CB -1.175 37.817 39.000 -0.012 0.000 0.999 316 F HN 0.020 nan 8.300 nan 0.000 0.475 317 T N -3.142 111.536 114.554 0.206 0.000 2.937 317 T HA -0.008 4.342 4.350 0.001 0.000 0.260 317 T C 0.715 175.478 174.700 0.105 0.000 1.051 317 T CA 0.501 62.682 62.100 0.136 0.000 1.141 317 T CB -0.291 68.646 68.868 0.116 0.000 0.879 317 T HN 0.086 nan 8.240 nan 0.000 0.459 318 N N 2.476 121.234 118.700 0.095 0.000 2.918 318 N HA 0.218 4.958 4.740 0.001 0.000 0.270 318 N C -2.228 173.329 175.510 0.078 0.000 1.536 318 N CA -1.217 51.886 53.050 0.087 0.000 0.877 318 N CB 1.943 40.488 38.487 0.097 0.000 1.190 318 N HN 0.335 nan 8.380 nan 0.000 0.492 319 P HA -0.073 nan 4.420 nan 0.000 0.221 319 P C 0.589 177.924 177.300 0.059 0.000 1.150 319 P CA 1.015 64.154 63.100 0.065 0.000 0.800 319 P CB 0.594 32.331 31.700 0.061 0.000 0.787 320 D N 0.084 120.522 120.400 0.064 0.000 2.144 320 D HA -0.112 4.529 4.640 0.001 0.000 0.199 320 D C 0.697 177.048 176.300 0.084 0.000 0.984 320 D CA 1.154 55.193 54.000 0.065 0.000 0.834 320 D CB -0.816 40.020 40.800 0.060 0.000 0.955 320 D HN 0.149 nan 8.370 nan 0.000 0.465 321 D N 0.812 121.274 120.400 0.103 0.000 2.398 321 D HA 0.010 4.651 4.640 0.001 0.000 0.250 321 D C 0.898 177.290 176.300 0.154 0.000 1.287 321 D CA -0.027 54.060 54.000 0.146 0.000 0.992 321 D CB 0.155 41.063 40.800 0.180 0.000 1.071 321 D HN 0.031 nan 8.370 nan 0.000 0.514 322 R N 2.217 122.821 120.500 0.173 0.000 2.285 322 R HA -0.100 4.241 4.340 0.001 0.000 0.213 322 R C 1.129 177.588 176.300 0.264 0.000 1.068 322 R CA 0.435 56.643 56.100 0.180 0.000 1.004 322 R CB 0.033 30.439 30.300 0.175 0.000 0.873 322 R HN 0.383 nan 8.270 nan 0.000 0.467 323 F N 0.415 120.455 119.950 0.149 0.000 2.749 323 F HA 0.204 4.732 4.527 0.001 0.000 0.300 323 F C 1.710 177.586 175.800 0.126 0.000 1.103 323 F CA -0.473 57.634 58.000 0.179 0.000 1.342 323 F CB 0.118 39.273 39.000 0.257 0.000 1.098 323 F HN -0.173 nan 8.300 nan 0.000 0.586 324 I N -0.163 120.421 120.570 0.024 0.000 2.700 324 I HA -0.165 4.005 4.170 0.001 0.000 0.261 324 I C 2.326 178.189 176.117 -0.424 0.000 1.219 324 I CA 1.380 62.489 61.300 -0.317 0.000 1.463 324 I CB -0.527 37.357 38.000 -0.193 0.000 1.092 324 I HN 0.216 nan 8.210 nan 0.000 0.452 325 G N -0.128 108.527 108.800 -0.241 0.000 2.470 325 G HA2 -0.276 3.684 3.960 0.001 0.000 0.220 325 G HA3 -0.276 3.684 3.960 0.001 0.000 0.220 325 G C 1.716 176.462 174.900 -0.256 0.000 1.121 325 G CA 0.812 45.836 45.100 -0.127 0.000 0.766 325 G HN 0.556 nan 8.290 nan 0.000 0.553 326 S N 0.683 116.058 115.700 -0.542 0.000 2.419 326 S HA -0.102 4.368 4.470 0.001 0.000 0.235 326 S C 2.036 176.311 174.600 -0.541 0.000 1.019 326 S CA 1.444 59.277 58.200 -0.611 0.000 0.982 326 S CB -0.265 62.287 63.200 -1.080 0.000 0.789 326 S HN 0.457 nan 8.310 nan 0.000 0.490 327 K N 0.270 120.172 120.400 -0.830 0.000 2.160 327 K HA -0.127 4.194 4.320 0.001 0.000 0.206 327 K C 0.689 176.819 176.600 -0.784 0.000 1.047 327 K CA 1.797 57.415 56.287 -1.116 0.000 0.930 327 K CB -0.324 31.084 32.500 -1.821 0.000 0.720 327 K HN 0.703 nan 8.250 nan 0.000 0.450 328 Y N -0.179 119.976 120.300 -0.242 0.000 2.636 328 Y HA 0.233 4.783 4.550 0.001 0.000 0.260 328 Y C 0.072 175.892 175.900 -0.134 0.000 1.177 328 Y CA -0.758 57.239 58.100 -0.173 0.000 1.209 328 Y CB 0.373 38.711 38.460 -0.204 0.000 1.166 328 Y HN -0.158 nan 8.280 nan 0.000 0.531 329 I N 2.818 123.339 120.570 -0.082 0.000 2.396 329 I HA 0.176 4.346 4.170 0.001 0.000 0.289 329 I C 0.494 176.559 176.117 -0.086 0.000 1.056 329 I CA -0.805 60.414 61.300 -0.134 0.000 1.365 329 I CB -0.491 37.328 38.000 -0.302 0.000 1.407 329 I HN 0.352 nan 8.210 nan 0.000 0.509 330 C N 2.986 122.298 119.300 0.020 0.000 3.323 330 C HA 0.818 5.279 4.460 0.001 0.000 0.324 330 C C -0.130 175.016 174.990 0.259 0.000 1.428 330 C CA -0.734 58.347 59.018 0.104 0.000 1.368 330 C CB 1.712 29.497 27.740 0.075 0.000 1.731 330 C HN 0.655 nan 8.230 nan 0.000 0.455 331 S N 2.662 118.496 115.700 0.223 0.000 2.605 331 S HA 0.722 5.193 4.470 0.001 0.000 0.308 331 S C -2.687 171.844 174.600 -0.116 0.000 1.113 331 S CA -0.358 57.976 58.200 0.224 0.000 1.049 331 S CB 1.708 65.145 63.200 0.396 0.000 1.001 331 S HN 0.803 nan 8.310 nan 0.000 0.480 332 P HA 0.278 nan 4.420 nan 0.000 0.272 332 P C -2.820 174.528 177.300 0.079 0.000 1.240 332 P CA -1.493 61.569 63.100 -0.063 0.000 0.791 332 P CB -0.554 31.015 31.700 -0.218 0.000 0.978 333 P HA 0.196 nan 4.420 nan 0.000 0.272 333 P C 0.281 177.702 177.300 0.201 0.000 1.230 333 P CA -0.128 63.044 63.100 0.120 0.000 0.788 333 P CB 0.424 32.057 31.700 -0.112 0.000 0.949 334 I N 2.510 123.212 120.570 0.220 0.000 2.741 334 I HA -0.052 4.118 4.170 0.001 0.000 0.288 334 I C 1.537 177.710 176.117 0.093 0.000 1.192 334 I CA 0.499 61.912 61.300 0.188 0.000 1.426 334 I CB 0.095 38.142 38.000 0.077 0.000 1.367 334 I HN 0.131 nan 8.210 nan 0.000 0.563 335 R N 7.253 127.812 120.500 0.098 0.000 2.549 335 R HA 0.470 4.810 4.340 0.001 0.000 0.267 335 R C -2.334 173.987 176.300 0.035 0.000 1.045 335 R CA -2.300 53.818 56.100 0.031 0.000 1.115 335 R CB -0.206 30.102 30.300 0.013 0.000 1.121 335 R HN 0.224 nan 8.270 nan 0.000 0.543 336 P HA -0.021 nan 4.420 nan 0.000 0.271 336 P C -0.276 177.054 177.300 0.050 0.000 1.233 336 P CA -0.223 62.903 63.100 0.044 0.000 0.789 336 P CB 0.373 32.094 31.700 0.035 0.000 0.951 337 E N 0.836 121.071 120.200 0.058 0.000 2.481 337 E HA 0.209 4.559 4.350 0.001 0.000 0.263 337 E C 1.347 177.978 176.600 0.052 0.000 0.992 337 E CA 1.910 58.345 56.400 0.059 0.000 0.938 337 E CB -0.703 29.030 29.700 0.055 0.000 0.933 337 E HN 0.697 nan 8.360 nan 0.000 0.453 338 G N 2.817 111.653 108.800 0.061 0.000 2.213 338 G HA2 -0.282 3.678 3.960 0.001 0.000 0.226 338 G HA3 -0.282 3.678 3.960 0.001 0.000 0.226 338 G C 1.157 176.094 174.900 0.061 0.000 0.992 338 G CA 0.469 45.604 45.100 0.058 0.000 0.632 338 G HN 0.573 nan 8.290 nan 0.000 0.511 339 T N 0.744 115.333 114.554 0.059 0.000 2.978 339 T HA 0.056 4.406 4.350 0.001 0.000 0.262 339 T C 2.280 177.026 174.700 0.076 0.000 1.063 339 T CA 1.867 64.000 62.100 0.054 0.000 1.140 339 T CB -0.077 68.812 68.868 0.035 0.000 0.886 339 T HN 0.364 nan 8.240 nan 0.000 0.470 340 Q N 1.357 121.214 119.800 0.094 0.000 2.124 340 Q HA 0.045 4.385 4.340 0.001 0.000 0.202 340 Q C 2.195 178.302 176.000 0.178 0.000 0.977 340 Q CA 1.137 57.005 55.803 0.108 0.000 0.850 340 Q CB -0.199 28.622 28.738 0.138 0.000 0.901 340 Q HN 0.352 nan 8.270 nan 0.000 0.429 341 K N 0.148 120.676 120.400 0.214 0.000 2.097 341 K HA -0.140 4.180 4.320 0.001 0.000 0.206 341 K C 2.030 178.774 176.600 0.241 0.000 1.049 341 K CA 1.478 57.929 56.287 0.273 0.000 0.933 341 K CB -0.093 32.514 32.500 0.179 0.000 0.717 341 K HN 0.352 nan 8.250 nan 0.000 0.442 342 S N 0.355 116.152 115.700 0.161 0.000 2.453 342 S HA -0.060 4.411 4.470 0.001 0.000 0.231 342 S C 1.857 176.570 174.600 0.188 0.000 1.005 342 S CA 0.457 58.741 58.200 0.140 0.000 0.949 342 S CB -0.204 63.049 63.200 0.089 0.000 0.774 342 S HN 0.147 nan 8.310 nan 0.000 0.510 343 I N 0.508 121.181 120.570 0.171 0.000 2.286 343 I HA 0.009 4.179 4.170 0.001 0.000 0.245 343 I C 2.234 178.467 176.117 0.192 0.000 1.104 343 I CA 0.570 61.977 61.300 0.178 0.000 1.397 343 I CB -1.774 36.180 38.000 -0.077 0.000 1.072 343 I HN 0.387 nan 8.210 nan 0.000 0.417 344 W N 1.814 123.220 121.300 0.176 0.000 2.358 344 W HA -0.183 4.477 4.660 0.001 0.000 0.303 344 W C 2.689 179.285 176.519 0.129 0.000 1.208 344 W CA 0.835 58.265 57.345 0.143 0.000 1.274 344 W CB -0.317 29.203 29.460 0.100 0.000 1.138 344 W HN 0.052 nan 8.180 nan 0.000 0.515 345 K N -0.178 120.423 120.400 0.335 0.000 2.032 345 K HA -0.160 4.160 4.320 0.001 0.000 0.209 345 K C 2.356 179.030 176.600 0.124 0.000 1.048 345 K CA 1.510 57.909 56.287 0.187 0.000 0.927 345 K CB -1.027 31.546 32.500 0.121 0.000 0.712 345 K HN 0.267 nan 8.250 nan 0.000 0.441 346 G N 1.290 110.154 108.800 0.106 0.000 2.442 346 G HA2 -0.273 3.688 3.960 0.001 0.000 0.219 346 G HA3 -0.273 3.688 3.960 0.001 0.000 0.219 346 G C 1.474 176.387 174.900 0.021 0.000 1.141 346 G CA 0.964 45.974 45.100 -0.151 0.000 0.763 346 G HN 0.163 nan 8.290 nan 0.000 0.554 347 M N 0.431 120.239 119.600 0.346 0.000 2.175 347 M HA -0.026 4.455 4.480 0.001 0.000 0.264 347 M C 2.271 178.694 176.300 0.205 0.000 1.063 347 M CA 0.987 56.489 55.300 0.336 0.000 1.119 347 M CB -0.326 32.483 32.600 0.350 0.000 1.377 347 M HN 0.129 nan 8.290 nan 0.000 0.415 348 N N 1.059 119.870 118.700 0.185 0.000 2.250 348 N HA -0.086 4.654 4.740 0.001 0.000 0.181 348 N C 1.179 176.726 175.510 0.061 0.000 1.017 348 N CA 1.299 54.421 53.050 0.120 0.000 0.866 348 N CB -0.550 38.007 38.487 0.117 0.000 0.985 348 N HN 0.492 nan 8.380 nan 0.000 0.429 349 N N -0.420 118.300 118.700 0.033 0.000 2.336 349 N HA 0.097 4.837 4.740 0.001 0.000 0.189 349 N C 0.995 176.488 175.510 -0.027 0.000 1.113 349 N CA 0.810 53.857 53.050 -0.004 0.000 0.858 349 N CB 0.149 38.623 38.487 -0.021 0.000 0.970 349 N HN 0.171 nan 8.380 nan 0.000 0.471 350 G N -1.485 107.301 108.800 -0.023 0.000 2.179 350 G HA2 -0.298 3.663 3.960 0.001 0.000 0.220 350 G HA3 -0.298 3.663 3.960 0.001 0.000 0.220 350 G C 0.963 175.818 174.900 -0.075 0.000 0.990 350 G CA 0.469 45.555 45.100 -0.023 0.000 0.646 350 G HN 0.343 nan 8.290 nan 0.000 0.517 351 T N 0.401 114.833 114.554 -0.204 0.000 2.674 351 T HA 0.116 4.466 4.350 0.001 0.000 0.265 351 T C 0.958 175.438 174.700 -0.368 0.000 1.039 351 T CA 1.151 63.010 62.100 -0.401 0.000 1.150 351 T CB -0.162 68.254 68.868 -0.753 0.000 0.864 351 T HN 0.344 nan 8.240 nan 0.000 0.427 352 F N 1.958 121.936 119.950 0.045 0.000 2.390 352 F HA 0.267 4.794 4.527 0.001 0.000 0.361 352 F C 1.647 177.480 175.800 0.055 0.000 1.124 352 F CA -0.924 57.108 58.000 0.053 0.000 1.149 352 F CB 0.838 39.862 39.000 0.040 0.000 1.160 352 F HN -0.041 nan 8.300 nan 0.000 0.501 353 T N 3.722 118.414 114.554 0.229 0.000 2.777 353 T HA -0.051 4.299 4.350 0.001 0.000 0.266 353 T C 0.631 175.390 174.700 0.098 0.000 1.040 353 T CA 1.219 63.395 62.100 0.126 0.000 1.141 353 T CB -0.201 68.723 68.868 0.093 0.000 0.868 353 T HN 0.548 nan 8.240 nan 0.000 0.444 354 I N -2.510 118.140 120.570 0.133 0.000 3.074 354 I HA 0.762 4.932 4.170 0.001 0.000 0.310 354 I C -1.682 174.500 176.117 0.107 0.000 1.153 354 I CA -1.600 59.762 61.300 0.105 0.000 0.993 354 I CB 2.468 40.522 38.000 0.091 0.000 1.237 354 I HN -0.339 nan 8.210 nan 0.000 0.443 355 V N 2.182 122.148 119.914 0.086 0.000 2.531 355 V HA 0.843 4.964 4.120 0.001 0.000 0.301 355 V C 0.376 176.519 176.094 0.081 0.000 1.034 355 V CA -0.063 62.267 62.300 0.050 0.000 0.865 355 V CB 1.197 33.036 31.823 0.028 0.000 0.995 355 V HN 1.085 nan 8.190 nan 0.000 0.424 356 G N 2.013 110.865 108.800 0.087 0.000 3.013 356 G HA2 0.576 4.536 3.960 0.001 0.000 0.278 356 G HA3 0.576 4.536 3.960 0.001 0.000 0.278 356 G C 0.550 175.515 174.900 0.109 0.000 1.353 356 G CA 0.242 45.423 45.100 0.135 0.000 1.043 356 G HN 0.757 nan 8.290 nan 0.000 0.523 357 S N -1.663 114.135 115.700 0.163 0.000 2.506 357 S HA 0.121 4.592 4.470 0.001 0.000 0.219 357 S C 0.739 175.453 174.600 0.189 0.000 1.031 357 S CA 1.066 59.360 58.200 0.158 0.000 0.911 357 S CB 0.145 63.460 63.200 0.193 0.000 0.812 357 S HN 0.761 nan 8.310 nan 0.000 0.497 358 D N 1.785 122.351 120.400 0.277 0.000 2.689 358 D HA -0.253 4.388 4.640 0.001 0.000 0.237 358 D C -0.220 176.346 176.300 0.443 0.000 1.148 358 D CA 0.639 54.896 54.000 0.429 0.000 0.656 358 D CB -2.368 38.550 40.800 0.195 0.000 1.050 358 D HN 0.833 nan 8.370 nan 0.000 0.426 359 H N 0.297 119.567 119.070 0.333 0.000 3.046 359 H HA 0.357 4.913 4.556 0.001 0.000 0.303 359 H C -0.591 174.895 175.328 0.263 0.000 1.002 359 H CA 0.683 56.868 56.048 0.228 0.000 1.460 359 H CB 0.344 30.208 29.762 0.170 0.000 1.493 359 H HN 0.272 nan 8.280 nan 0.000 0.559 360 C N 5.637 124.789 119.300 -0.246 0.000 2.982 360 C HA 0.344 4.804 4.460 0.001 0.000 0.372 360 C C -1.100 173.621 174.990 -0.449 0.000 1.061 360 C CA -0.505 58.370 59.018 -0.237 0.000 1.309 360 C CB -0.452 27.257 27.740 -0.051 0.000 1.766 360 C HN 0.912 nan 8.230 nan 0.000 0.504 361 S N 4.458 119.771 115.700 -0.643 0.000 2.437 361 S HA 0.782 5.252 4.470 0.001 0.000 0.305 361 S C -1.346 172.833 174.600 -0.701 0.000 1.109 361 S CA -0.334 57.529 58.200 -0.560 0.000 1.099 361 S CB 0.838 63.755 63.200 -0.472 0.000 1.004 361 S HN 0.684 nan 8.310 nan 0.000 0.475 362 Y N 0.866 121.169 120.300 0.004 0.000 2.442 362 Y HA 0.390 4.940 4.550 0.001 0.000 0.344 362 Y C 0.322 176.327 175.900 0.175 0.000 0.976 362 Y CA -1.241 56.902 58.100 0.071 0.000 1.040 362 Y CB 1.202 39.705 38.460 0.071 0.000 1.228 362 Y HN 0.481 nan 8.280 nan 0.000 0.451 363 N N 1.122 119.992 118.700 0.284 0.000 2.453 363 N HA -0.051 4.690 4.740 0.001 0.000 0.253 363 N C -0.051 175.651 175.510 0.321 0.000 1.252 363 N CA 0.254 53.474 53.050 0.284 0.000 0.917 363 N CB 0.622 39.219 38.487 0.183 0.000 1.117 363 N HN 0.815 nan 8.380 nan 0.000 0.442 364 Y N 0.527 120.914 120.300 0.145 0.000 2.581 364 Y HA 0.188 4.739 4.550 0.001 0.000 0.271 364 Y C 0.846 176.668 175.900 -0.130 0.000 1.100 364 Y CA 0.461 58.511 58.100 -0.084 0.000 1.281 364 Y CB 0.193 38.299 38.460 -0.589 0.000 1.237 364 Y HN 0.568 nan 8.280 nan 0.000 0.514 365 Y N 1.065 121.455 120.300 0.151 0.000 2.466 365 Y HA 0.158 4.708 4.550 0.001 0.000 0.272 365 Y C -0.067 175.796 175.900 -0.062 0.000 1.169 365 Y CA -0.151 57.971 58.100 0.035 0.000 1.285 365 Y CB 0.204 38.734 38.460 0.116 0.000 1.078 365 Y HN 0.118 nan 8.280 nan 0.000 0.523 366 E N -0.724 119.497 120.200 0.035 0.000 2.199 366 E HA 0.348 4.698 4.350 0.001 0.000 0.269 366 E C -0.254 176.262 176.600 -0.139 0.000 0.899 366 E CA -0.781 55.591 56.400 -0.047 0.000 0.772 366 E CB 1.504 31.213 29.700 0.015 0.000 1.155 366 E HN -0.030 nan 8.360 nan 0.000 0.408 367 K N 1.431 121.683 120.400 -0.247 0.000 2.360 367 K HA 0.039 4.360 4.320 0.001 0.000 0.196 367 K C 1.056 177.582 176.600 -0.123 0.000 1.049 367 K CA 0.935 57.014 56.287 -0.347 0.000 1.049 367 K CB 0.668 32.830 32.500 -0.562 0.000 0.881 367 K HN 0.753 nan 8.250 nan 0.000 0.542 368 T N -1.452 113.054 114.554 -0.079 0.000 3.040 368 T HA -0.006 4.344 4.350 0.001 0.000 0.252 368 T C 1.292 175.988 174.700 -0.007 0.000 1.064 368 T CA -0.032 62.041 62.100 -0.045 0.000 1.110 368 T CB 0.043 68.882 68.868 -0.048 0.000 0.921 368 T HN 0.062 nan 8.240 nan 0.000 0.480 369 S N 1.942 117.650 115.700 0.013 0.000 2.614 369 S HA 0.224 4.694 4.470 0.001 0.000 0.265 369 S C 1.586 176.215 174.600 0.048 0.000 1.303 369 S CA 0.170 58.389 58.200 0.033 0.000 1.000 369 S CB 0.949 64.175 63.200 0.044 0.000 0.935 369 S HN 0.512 nan 8.310 nan 0.000 0.551 370 T N -1.303 113.281 114.554 0.049 0.000 3.051 370 T HA 0.107 4.457 4.350 0.001 0.000 0.269 370 T C 1.220 175.978 174.700 0.097 0.000 1.127 370 T CA 0.679 62.812 62.100 0.055 0.000 1.107 370 T CB -0.487 68.408 68.868 0.045 0.000 0.898 370 T HN 0.925 nan 8.240 nan 0.000 0.517 371 A N 0.695 123.593 122.820 0.130 0.000 2.500 371 A HA 0.580 4.901 4.320 0.001 0.000 0.267 371 A C 1.048 178.792 177.584 0.267 0.000 1.290 371 A CA -0.408 51.766 52.037 0.228 0.000 0.928 371 A CB -0.069 19.030 19.000 0.165 0.000 1.066 371 A HN 0.420 nan 8.150 nan 0.000 0.516 372 S N -0.289 115.520 115.700 0.182 0.000 2.610 372 S HA 0.273 4.744 4.470 0.001 0.000 0.273 372 S C 1.163 175.872 174.600 0.182 0.000 1.274 372 S CA -0.564 57.755 58.200 0.199 0.000 1.023 372 S CB 0.645 63.940 63.200 0.159 0.000 0.962 372 S HN 0.331 nan 8.310 nan 0.000 0.523 373 K N 2.027 122.556 120.400 0.215 0.000 2.209 373 K HA -0.068 4.252 4.320 0.001 0.000 0.204 373 K C 1.370 178.088 176.600 0.197 0.000 1.048 373 K CA 1.300 57.667 56.287 0.132 0.000 0.940 373 K CB -0.400 32.163 32.500 0.105 0.000 0.729 373 K HN 0.706 nan 8.250 nan 0.000 0.451 374 H N 0.144 119.340 119.070 0.210 0.000 2.556 374 H HA 0.013 4.569 4.556 0.001 0.000 0.268 374 H C 1.950 177.339 175.328 0.101 0.000 0.996 374 H CA 0.226 56.356 56.048 0.136 0.000 1.157 374 H CB 0.121 29.835 29.762 -0.081 0.000 1.355 374 H HN 0.192 nan 8.280 nan 0.000 0.597 375 R N 1.710 122.297 120.500 0.146 0.000 2.185 375 R HA -0.166 4.174 4.340 0.001 0.000 0.247 375 R C 2.018 178.316 176.300 -0.003 0.000 1.159 375 R CA 1.148 57.277 56.100 0.048 0.000 0.988 375 R CB -0.164 30.136 30.300 0.001 0.000 0.871 375 R HN 0.262 nan 8.270 nan 0.000 0.458 376 A N 0.377 123.201 122.820 0.006 0.000 2.070 376 A HA -0.051 4.270 4.320 0.001 0.000 0.220 376 A C 0.366 177.730 177.584 -0.366 0.000 1.159 376 A CA 0.574 52.541 52.037 -0.118 0.000 0.656 376 A CB -0.215 18.758 19.000 -0.044 0.000 0.800 376 A HN 0.266 nan 8.150 nan 0.000 0.453 377 F N 0.336 120.178 119.950 -0.180 0.000 2.350 377 F HA 0.441 4.968 4.527 0.001 0.000 0.365 377 F C 0.144 175.848 175.800 -0.160 0.000 1.122 377 F CA -0.710 57.176 58.000 -0.190 0.000 1.139 377 F CB 1.011 39.878 39.000 -0.222 0.000 1.220 377 F HN 0.001 nan 8.300 nan 0.000 0.499 378 D N 5.486 125.849 120.400 -0.061 0.000 2.823 378 D HA 0.231 4.871 4.640 0.001 0.000 0.255 378 D C -2.144 174.092 176.300 -0.106 0.000 1.257 378 D CA -1.848 52.099 54.000 -0.088 0.000 0.803 378 D CB 1.198 41.912 40.800 -0.144 0.000 1.384 378 D HN 0.081 nan 8.370 nan 0.000 0.541 379 P HA -0.120 nan 4.420 nan 0.000 0.217 379 P C 1.039 178.296 177.300 -0.071 0.000 1.148 379 P CA 1.074 64.140 63.100 -0.056 0.000 0.828 379 P CB 0.528 32.212 31.700 -0.027 0.000 0.783 380 E N -1.222 118.937 120.200 -0.068 0.000 2.150 380 E HA -0.098 4.252 4.350 0.001 0.000 0.193 380 E C 1.028 177.579 176.600 -0.082 0.000 0.985 380 E CA 0.649 57.010 56.400 -0.064 0.000 0.814 380 E CB -0.386 29.282 29.700 -0.053 0.000 0.752 380 E HN 0.164 nan 8.360 nan 0.000 0.466 381 N N 0.851 119.483 118.700 -0.113 0.000 2.276 381 N HA 0.040 4.781 4.740 0.001 0.000 0.212 381 N C -0.770 174.627 175.510 -0.188 0.000 1.127 381 N CA 0.054 53.020 53.050 -0.140 0.000 0.834 381 N CB 0.286 38.679 38.487 -0.157 0.000 1.014 381 N HN 0.057 nan 8.380 nan 0.000 0.491 382 N N 0.300 118.902 118.700 -0.163 0.000 2.754 382 N HA -0.198 4.542 4.740 0.001 0.000 0.248 382 N C -1.031 174.304 175.510 -0.293 0.000 1.093 382 N CA 0.870 53.821 53.050 -0.164 0.000 0.699 382 N CB -1.047 37.375 38.487 -0.108 0.000 1.016 382 N HN 0.428 nan 8.380 nan 0.000 0.552 383 K N 0.622 120.796 120.400 -0.377 0.000 2.323 383 K HA 0.364 4.685 4.320 0.001 0.000 0.259 383 K C 0.164 176.580 176.600 -0.307 0.000 0.947 383 K CA -0.557 55.384 56.287 -0.578 0.000 0.819 383 K CB 1.299 33.308 32.500 -0.819 0.000 1.109 383 K HN 0.051 nan 8.250 nan 0.000 0.429 384 N N 1.973 120.524 118.700 -0.249 0.000 2.517 384 N HA 0.098 4.838 4.740 0.001 0.000 0.285 384 N C 0.204 175.387 175.510 -0.545 0.000 1.528 384 N CA 0.108 53.025 53.050 -0.222 0.000 0.892 384 N CB 1.600 40.053 38.487 -0.056 0.000 1.356 384 N HN 1.007 nan 8.380 nan 0.000 0.495 385 G N 1.118 109.311 108.800 -1.012 0.000 2.148 385 G HA2 -0.283 3.677 3.960 0.001 0.000 0.254 385 G HA3 -0.283 3.677 3.960 0.001 0.000 0.254 385 G C -0.054 174.659 174.900 -0.311 0.000 0.981 385 G CA 0.052 44.325 45.100 -1.378 0.000 0.670 385 G HN 0.367 nan 8.290 nan 0.000 0.528 386 E N -0.454 119.680 120.200 -0.110 0.000 2.415 386 E HA 0.407 4.757 4.350 0.001 0.000 0.262 386 E C 1.398 177.942 176.600 -0.093 0.000 1.038 386 E CA 0.005 56.362 56.400 -0.071 0.000 0.921 386 E CB 0.030 29.625 29.700 -0.175 0.000 0.950 386 E HN 0.518 nan 8.360 nan 0.000 0.438 387 F N 1.966 121.908 119.950 -0.013 0.000 2.202 387 F HA -0.166 4.361 4.527 0.001 0.000 0.301 387 F C 2.001 177.733 175.800 -0.112 0.000 1.082 387 F CA 1.216 59.200 58.000 -0.027 0.000 1.313 387 F CB -0.256 38.768 39.000 0.041 0.000 1.024 387 F HN 0.370 nan 8.300 nan 0.000 0.495 388 R N 0.106 120.144 120.500 -0.770 0.000 2.117 388 R HA -0.229 4.112 4.340 0.001 0.000 0.243 388 R C 1.513 177.527 176.300 -0.477 0.000 1.143 388 R CA 2.193 57.878 56.100 -0.691 0.000 0.968 388 R CB -0.782 28.861 30.300 -1.096 0.000 0.863 388 R HN 0.536 nan 8.270 nan 0.000 0.444 389 Y N -0.064 120.140 120.300 -0.161 0.000 2.466 389 Y HA 0.237 4.787 4.550 0.001 0.000 0.272 389 Y C 0.450 176.290 175.900 -0.100 0.000 1.169 389 Y CA -0.701 57.318 58.100 -0.134 0.000 1.285 389 Y CB 0.414 38.769 38.460 -0.175 0.000 1.078 389 Y HN -0.073 nan 8.280 nan 0.000 0.523 390 I N 4.713 125.302 120.570 0.031 0.000 2.452 390 I HA 0.085 4.256 4.170 0.001 0.000 0.287 390 I C -2.100 173.950 176.117 -0.111 0.000 1.079 390 I CA -2.117 59.178 61.300 -0.008 0.000 1.387 390 I CB 0.556 38.524 38.000 -0.054 0.000 1.404 390 I HN -0.146 nan 8.210 nan 0.000 0.522 391 P HA 0.000 nan 4.420 nan 0.000 0.266 391 P C -0.873 176.276 177.300 -0.252 0.000 1.215 391 P CA 0.166 62.999 63.100 -0.445 0.000 0.763 391 P CB 0.226 31.247 31.700 -1.132 0.000 0.806 392 N N 1.982 120.634 118.700 -0.080 0.000 2.458 392 N HA 0.462 5.202 4.740 0.001 0.000 0.270 392 N C 0.388 175.997 175.510 0.165 0.000 1.102 392 N CA 0.097 53.168 53.050 0.034 0.000 0.967 392 N CB 0.705 39.269 38.487 0.129 0.000 1.078 392 N HN 0.601 nan 8.380 nan 0.000 0.471 393 G N 1.414 110.295 108.800 0.136 0.000 2.352 393 G HA2 0.159 4.120 3.960 0.001 0.000 0.303 393 G HA3 0.159 4.120 3.960 0.001 0.000 0.303 393 G C -1.637 173.309 174.900 0.075 0.000 1.593 393 G CA -0.888 44.287 45.100 0.126 0.000 0.963 393 G HN 0.337 nan 8.290 nan 0.000 0.685 394 L N 0.536 121.765 121.223 0.009 0.000 2.354 394 L HA 0.606 4.946 4.340 0.001 0.000 0.269 394 L C -2.440 174.356 176.870 -0.123 0.000 1.005 394 L CA -2.401 52.410 54.840 -0.048 0.000 0.819 394 L CB 2.561 44.592 42.059 -0.048 0.000 1.311 394 L HN 0.261 nan 8.230 nan 0.000 0.423 395 P HA 0.186 nan 4.420 nan 0.000 0.271 395 P C 0.367 177.777 177.300 0.184 0.000 1.220 395 P CA 0.145 63.175 63.100 -0.116 0.000 0.768 395 P CB 1.018 32.660 31.700 -0.097 0.000 0.848 396 G N 1.233 110.307 108.800 0.457 0.000 3.912 396 G HA2 -0.053 3.908 3.960 0.001 0.000 0.203 396 G HA3 -0.053 3.908 3.960 0.001 0.000 0.203 396 G C 0.851 175.900 174.900 0.249 0.000 1.112 396 G CA 0.081 45.392 45.100 0.352 0.000 0.871 396 G HN 0.431 nan 8.290 nan 0.000 0.549 397 V N 0.536 120.576 119.914 0.211 0.000 2.515 397 V HA -0.115 4.005 4.120 0.001 0.000 0.250 397 V C 2.575 178.621 176.094 -0.080 0.000 1.058 397 V CA 2.520 64.774 62.300 -0.076 0.000 1.064 397 V CB -0.150 31.402 31.823 -0.452 0.000 0.675 397 V HN 0.523 nan 8.190 nan 0.000 0.461 398 C N 0.644 119.919 119.300 -0.041 0.000 2.489 398 C HA -0.103 4.358 4.460 0.001 0.000 0.279 398 C C 3.056 178.010 174.990 -0.060 0.000 1.266 398 C CA 1.822 60.803 59.018 -0.062 0.000 1.707 398 C CB -1.165 26.577 27.740 0.004 0.000 2.059 398 C HN 0.752 nan 8.230 nan 0.000 0.481 399 T N -1.071 113.516 114.554 0.054 0.000 3.085 399 T HA -0.068 4.282 4.350 0.001 0.000 0.263 399 T C 1.904 176.571 174.700 -0.055 0.000 1.127 399 T CA 0.913 63.036 62.100 0.038 0.000 1.103 399 T CB -0.578 68.322 68.868 0.052 0.000 0.921 399 T HN 0.671 nan 8.240 nan 0.000 0.510 400 R N 0.577 121.058 120.500 -0.032 0.000 2.094 400 R HA -0.100 4.241 4.340 0.001 0.000 0.239 400 R C 2.362 178.674 176.300 0.020 0.000 1.137 400 R CA 1.773 57.866 56.100 -0.011 0.000 0.943 400 R CB -0.305 30.006 30.300 0.017 0.000 0.850 400 R HN 0.322 nan 8.270 nan 0.000 0.433 401 M N -0.414 119.193 119.600 0.012 0.000 2.098 401 M HA -0.039 4.441 4.480 0.001 0.000 0.262 401 M C -0.678 175.774 176.300 0.254 0.000 1.072 401 M CA 1.408 56.788 55.300 0.133 0.000 1.133 401 M CB -1.354 31.329 32.600 0.140 0.000 1.344 401 M HN 0.062 nan 8.290 nan 0.000 0.414 402 P HA -0.069 nan 4.420 nan 0.000 0.218 402 P C 1.828 179.302 177.300 0.290 0.000 1.149 402 P CA 1.037 64.306 63.100 0.281 0.000 0.817 402 P CB -0.186 31.530 31.700 0.026 0.000 0.785 403 L N -1.250 120.084 121.223 0.185 0.000 2.042 403 L HA -0.168 4.173 4.340 0.001 0.000 0.210 403 L C 2.387 179.446 176.870 0.315 0.000 1.076 403 L CA 1.333 56.291 54.840 0.197 0.000 0.749 403 L CB -0.820 41.193 42.059 -0.077 0.000 0.893 403 L HN 0.007 nan 8.230 nan 0.000 0.432 404 L N -1.720 119.659 121.223 0.260 0.000 2.156 404 L HA -0.237 4.103 4.340 0.001 0.000 0.208 404 L C 2.492 179.508 176.870 0.244 0.000 1.095 404 L CA 1.519 56.545 54.840 0.310 0.000 0.770 404 L CB -0.754 41.442 42.059 0.228 0.000 0.914 404 L HN 0.293 nan 8.230 nan 0.000 0.439 405 Y N 1.227 121.557 120.300 0.050 0.000 2.097 405 Y HA -0.336 4.214 4.550 0.001 0.000 0.282 405 Y C 2.582 178.508 175.900 0.043 0.000 1.152 405 Y CA 2.268 60.318 58.100 -0.085 0.000 1.136 405 Y CB 0.064 38.246 38.460 -0.464 0.000 0.975 405 Y HN 0.242 nan 8.280 nan 0.000 0.498 406 D N -1.058 119.545 120.400 0.338 0.000 2.092 406 D HA -0.213 4.428 4.640 0.001 0.000 0.203 406 D C 1.916 178.210 176.300 -0.010 0.000 0.978 406 D CA 1.846 55.946 54.000 0.165 0.000 0.861 406 D CB -0.829 40.072 40.800 0.169 0.000 1.005 406 D HN 0.376 nan 8.370 nan 0.000 0.450 407 Y N 0.375 120.733 120.300 0.097 0.000 2.421 407 Y HA 0.098 4.648 4.550 0.001 0.000 0.292 407 Y C 2.267 178.056 175.900 -0.184 0.000 1.136 407 Y CA 1.100 59.221 58.100 0.036 0.000 1.255 407 Y CB -0.342 38.239 38.460 0.202 0.000 0.991 407 Y HN 0.107 nan 8.280 nan 0.000 0.552 408 G N -1.167 107.672 108.800 0.065 0.000 2.655 408 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 408 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 408 G C 1.380 176.168 174.900 -0.187 0.000 1.279 408 G CA 0.658 45.656 45.100 -0.170 0.000 0.870 408 G HN 0.368 nan 8.290 nan 0.000 0.560 409 Y N 1.220 121.384 120.300 -0.227 0.000 2.109 409 Y HA 0.071 4.621 4.550 0.001 0.000 0.285 409 Y C 2.594 178.330 175.900 -0.273 0.000 1.131 409 Y CA 1.471 59.387 58.100 -0.306 0.000 1.121 409 Y CB -0.591 37.568 38.460 -0.502 0.000 0.987 409 Y HN 0.069 nan 8.280 nan 0.000 0.495 410 L N 0.095 120.917 121.223 -0.669 0.000 2.046 410 L HA -0.188 4.152 4.340 0.001 0.000 0.208 410 L C 2.369 178.978 176.870 -0.435 0.000 1.077 410 L CA 1.671 56.124 54.840 -0.645 0.000 0.747 410 L CB -0.405 41.490 42.059 -0.272 0.000 0.896 410 L HN 0.175 nan 8.230 nan 0.000 0.432 411 R N -0.478 119.816 120.500 -0.343 0.000 2.310 411 R HA 0.118 4.458 4.340 0.001 0.000 0.202 411 R C 1.156 177.281 176.300 -0.292 0.000 0.933 411 R CA 0.569 56.496 56.100 -0.288 0.000 1.054 411 R CB 0.309 30.446 30.300 -0.272 0.000 0.985 411 R HN 0.452 nan 8.270 nan 0.000 0.489 412 G N 0.957 109.557 108.800 -0.333 0.000 2.141 412 G HA2 -0.252 3.708 3.960 0.001 0.000 0.242 412 G HA3 -0.252 3.708 3.960 0.001 0.000 0.242 412 G C 0.514 175.230 174.900 -0.308 0.000 0.982 412 G CA 0.173 45.103 45.100 -0.283 0.000 0.662 412 G HN 0.310 nan 8.290 nan 0.000 0.527 413 N N -0.821 117.583 118.700 -0.494 0.000 2.416 413 N HA 0.097 4.838 4.740 0.001 0.000 0.177 413 N C 0.647 175.894 175.510 -0.439 0.000 1.036 413 N CA 0.558 53.171 53.050 -0.729 0.000 0.901 413 N CB 0.272 37.705 38.487 -1.756 0.000 0.976 413 N HN 0.445 nan 8.380 nan 0.000 0.444 414 L N 0.982 122.035 121.223 -0.282 0.000 2.322 414 L HA 0.192 4.532 4.340 0.001 0.000 0.279 414 L C 1.679 178.537 176.870 -0.019 0.000 1.036 414 L CA -0.033 54.797 54.840 -0.016 0.000 0.807 414 L CB 1.489 43.595 42.059 0.078 0.000 1.226 414 L HN 0.048 nan 8.230 nan 0.000 0.433 415 T N -1.181 113.385 114.554 0.020 0.000 2.821 415 T HA 0.024 4.375 4.350 0.001 0.000 0.267 415 T C 0.686 175.400 174.700 0.024 0.000 1.046 415 T CA 1.019 63.125 62.100 0.010 0.000 1.139 415 T CB -0.268 68.611 68.868 0.017 0.000 0.871 415 T HN 0.665 nan 8.240 nan 0.000 0.454 416 S N -1.276 114.440 115.700 0.027 0.000 2.643 416 S HA 0.541 5.012 4.470 0.001 0.000 0.270 416 S C 0.540 175.070 174.600 -0.116 0.000 1.166 416 S CA -0.979 57.226 58.200 0.009 0.000 0.815 416 S CB 1.027 64.207 63.200 -0.034 0.000 1.139 416 S HN -0.095 nan 8.310 nan 0.000 0.472 417 M N 0.462 119.828 119.600 -0.390 0.000 2.296 417 M HA 0.075 4.555 4.480 0.001 0.000 0.265 417 M C 1.896 177.983 176.300 -0.354 0.000 1.064 417 M CA 1.456 56.371 55.300 -0.641 0.000 1.109 417 M CB -1.427 30.461 32.600 -1.186 0.000 1.396 417 M HN 0.754 nan 8.290 nan 0.000 0.430 418 M N -0.448 119.016 119.600 -0.227 0.000 2.132 418 M HA -0.211 4.269 4.480 0.001 0.000 0.263 418 M C 2.096 178.355 176.300 -0.068 0.000 1.065 418 M CA 1.497 56.725 55.300 -0.121 0.000 1.122 418 M CB -0.389 32.168 32.600 -0.071 0.000 1.365 418 M HN -0.022 nan 8.290 nan 0.000 0.411 419 K N 1.183 121.553 120.400 -0.050 0.000 2.026 419 K HA -0.123 4.197 4.320 0.001 0.000 0.208 419 K C 1.685 178.289 176.600 0.008 0.000 1.048 419 K CA 1.403 57.689 56.287 -0.001 0.000 0.929 419 K CB -0.748 31.769 32.500 0.028 0.000 0.713 419 K HN 0.324 nan 8.250 nan 0.000 0.439 420 L N -0.080 121.126 121.223 -0.028 0.000 1.990 420 L HA -0.203 4.137 4.340 0.001 0.000 0.213 420 L C 1.962 178.828 176.870 -0.007 0.000 1.072 420 L CA 1.652 56.482 54.840 -0.016 0.000 0.755 420 L CB -0.400 41.597 42.059 -0.103 0.000 0.889 420 L HN 0.044 nan 8.230 nan 0.000 0.432 421 V N 0.044 119.931 119.914 -0.045 0.000 2.407 421 V HA -0.310 3.811 4.120 0.001 0.000 0.248 421 V C 2.531 178.636 176.094 0.018 0.000 1.055 421 V CA 2.149 64.444 62.300 -0.009 0.000 1.049 421 V CB -0.695 31.109 31.823 -0.032 0.000 0.662 421 V HN 0.591 nan 8.190 nan 0.000 0.455 422 E N 0.489 120.695 120.200 0.010 0.000 2.058 422 E HA -0.241 4.110 4.350 0.001 0.000 0.194 422 E C 2.139 178.758 176.600 0.031 0.000 0.997 422 E CA 2.200 58.612 56.400 0.019 0.000 0.801 422 E CB -0.134 29.575 29.700 0.015 0.000 0.746 422 E HN 0.793 nan 8.360 nan 0.000 0.450 423 I N -2.036 118.563 120.570 0.048 0.000 2.852 423 I HA -0.066 4.104 4.170 0.001 0.000 0.264 423 I C 1.873 178.032 176.117 0.070 0.000 1.179 423 I CA 0.494 61.834 61.300 0.066 0.000 1.480 423 I CB -0.074 37.984 38.000 0.097 0.000 1.111 423 I HN -0.023 nan 8.210 nan 0.000 0.441 424 Q N 0.559 120.400 119.800 0.067 0.000 2.339 424 Q HA 0.093 4.433 4.340 0.001 0.000 0.205 424 Q C 1.837 177.880 176.000 0.071 0.000 0.925 424 Q CA 1.168 57.015 55.803 0.074 0.000 0.898 424 Q CB 0.814 29.601 28.738 0.082 0.000 1.013 424 Q HN 0.670 nan 8.270 nan 0.000 0.504 425 C N -1.356 117.983 119.300 0.065 0.000 2.646 425 C HA 0.143 4.603 4.460 0.001 0.000 0.428 425 C C 2.555 177.590 174.990 0.075 0.000 1.492 425 C CA 0.304 59.364 59.018 0.069 0.000 2.538 425 C CB -0.208 27.573 27.740 0.069 0.000 2.609 425 C HN 0.367 nan 8.230 nan 0.000 0.594 426 T N 2.042 116.636 114.554 0.067 0.000 2.770 426 T HA -0.074 4.277 4.350 0.001 0.000 0.258 426 T C 1.530 176.245 174.700 0.024 0.000 1.039 426 T CA 1.439 63.586 62.100 0.079 0.000 1.143 426 T CB -0.421 68.488 68.868 0.069 0.000 0.866 426 T HN 0.326 nan 8.240 nan 0.000 0.428 427 N N 1.806 120.496 118.700 -0.017 0.000 2.104 427 N HA -0.045 4.695 4.740 0.001 0.000 0.190 427 N C -1.035 174.421 175.510 -0.091 0.000 1.024 427 N CA 1.146 54.144 53.050 -0.086 0.000 0.853 427 N CB -1.504 36.937 38.487 -0.077 0.000 1.008 427 N HN 0.317 nan 8.380 nan 0.000 0.424 428 P HA -0.087 nan 4.420 nan 0.000 0.216 428 P C 1.022 178.386 177.300 0.107 0.000 1.150 428 P CA 1.620 64.771 63.100 0.084 0.000 0.843 428 P CB -0.068 31.718 31.700 0.143 0.000 0.787 429 A N -0.324 122.552 122.820 0.092 0.000 1.898 429 A HA -0.202 4.118 4.320 0.001 0.000 0.216 429 A C 2.145 179.791 177.584 0.104 0.000 1.181 429 A CA 1.689 53.804 52.037 0.131 0.000 0.620 429 A CB -0.979 18.137 19.000 0.193 0.000 0.819 429 A HN 0.124 nan 8.150 nan 0.000 0.442 430 K N -0.886 119.507 120.400 -0.011 0.000 2.025 430 K HA -0.024 4.297 4.320 0.001 0.000 0.207 430 K C 1.830 178.204 176.600 -0.376 0.000 1.049 430 K CA 1.265 57.450 56.287 -0.170 0.000 0.933 430 K CB -0.373 31.927 32.500 -0.334 0.000 0.714 430 K HN 0.245 nan 8.250 nan 0.000 0.438 431 V N 0.438 120.076 119.914 -0.460 0.000 2.809 431 V HA -0.159 3.962 4.120 0.001 0.000 0.256 431 V C 0.490 176.229 176.094 -0.591 0.000 1.080 431 V CA 1.377 63.274 62.300 -0.671 0.000 1.102 431 V CB -0.171 31.145 31.823 -0.845 0.000 0.705 431 V HN 0.284 nan 8.190 nan 0.000 0.475 432 Y N -0.255 119.976 120.300 -0.115 0.000 2.720 432 Y HA 0.475 5.025 4.550 0.001 0.000 0.277 432 Y C 1.548 177.414 175.900 -0.058 0.000 1.144 432 Y CA 0.106 58.169 58.100 -0.062 0.000 1.221 432 Y CB 0.447 38.905 38.460 -0.003 0.000 1.163 432 Y HN 0.258 nan 8.280 nan 0.000 0.537 433 G N 0.909 109.740 108.800 0.052 0.000 2.225 433 G HA2 -0.349 3.612 3.960 0.001 0.000 0.267 433 G HA3 -0.349 3.612 3.960 0.001 0.000 0.267 433 G C 0.587 175.534 174.900 0.079 0.000 1.024 433 G CA 0.784 45.926 45.100 0.070 0.000 0.784 433 G HN 0.531 nan 8.290 nan 0.000 0.507 434 M N -1.352 118.305 119.600 0.094 0.000 2.371 434 M HA 0.320 4.800 4.480 0.001 0.000 0.246 434 M C 0.692 177.049 176.300 0.094 0.000 1.103 434 M CA -0.214 55.120 55.300 0.057 0.000 1.010 434 M CB 0.545 33.163 32.600 0.029 0.000 1.457 434 M HN 0.331 nan 8.290 nan 0.000 0.486 435 Y N 2.295 122.618 120.300 0.039 0.000 2.310 435 Y HA 0.305 4.855 4.550 0.001 0.000 0.326 435 Y C -1.644 174.289 175.900 0.055 0.000 1.151 435 Y CA -1.723 56.412 58.100 0.059 0.000 1.195 435 Y CB 1.000 39.530 38.460 0.116 0.000 1.210 435 Y HN -0.015 nan 8.280 nan 0.000 0.483 436 P HA -0.034 nan 4.420 nan 0.000 0.255 436 P C 0.852 177.879 177.300 -0.454 0.000 1.248 436 P CA 0.500 62.934 63.100 -1.110 0.000 0.807 436 P CB 0.245 31.371 31.700 -0.957 0.000 1.150 437 Q N 0.562 120.222 119.800 -0.234 0.000 2.152 437 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 437 Q C 0.109 176.047 176.000 -0.104 0.000 0.985 437 Q CA 1.413 57.133 55.803 -0.138 0.000 0.863 437 Q CB 0.012 28.693 28.738 -0.096 0.000 0.904 437 Q HN 0.075 nan 8.270 nan 0.000 0.422 438 K N -2.317 118.039 120.400 -0.074 0.000 2.340 438 K HA 0.504 4.824 4.320 0.001 0.000 0.244 438 K C -0.138 176.489 176.600 0.045 0.000 0.973 438 K CA 0.299 56.576 56.287 -0.017 0.000 0.828 438 K CB 1.919 34.419 32.500 -0.001 0.000 1.226 438 K HN 0.163 nan 8.250 nan 0.000 0.437 439 G N -0.083 108.753 108.800 0.061 0.000 2.213 439 G HA2 -0.208 3.753 3.960 0.001 0.000 0.236 439 G HA3 -0.208 3.753 3.960 0.001 0.000 0.236 439 G C 0.117 175.089 174.900 0.120 0.000 0.991 439 G CA 0.320 45.488 45.100 0.114 0.000 0.629 439 G HN 0.534 nan 8.290 nan 0.000 0.517 440 S N -1.239 114.513 115.700 0.087 0.000 2.851 440 S HA 0.793 5.264 4.470 0.001 0.000 0.313 440 S C -0.500 174.121 174.600 0.034 0.000 1.163 440 S CA -0.535 57.716 58.200 0.084 0.000 0.850 440 S CB 1.393 64.670 63.200 0.128 0.000 1.245 440 S HN 0.500 nan 8.310 nan 0.000 0.558 441 I N 2.223 122.815 120.570 0.037 0.000 2.750 441 I HA 0.343 4.514 4.170 0.001 0.000 0.279 441 I C -1.536 174.589 176.117 0.014 0.000 1.206 441 I CA 0.016 61.326 61.300 0.017 0.000 1.101 441 I CB 0.140 38.153 38.000 0.022 0.000 1.431 441 I HN 0.152 nan 8.210 nan 0.000 0.551 442 L N 5.450 126.665 121.223 -0.013 0.000 2.318 442 L HA 0.505 4.846 4.340 0.001 0.000 0.277 442 L C -2.488 174.362 176.870 -0.033 0.000 1.008 442 L CA -1.956 52.871 54.840 -0.021 0.000 0.846 442 L CB 1.202 43.230 42.059 -0.051 0.000 1.220 442 L HN 0.092 nan 8.230 nan 0.000 0.423 443 P HA 0.011 nan 4.420 nan 0.000 0.261 443 P C 1.006 178.288 177.300 -0.029 0.000 1.183 443 P CA 0.871 63.953 63.100 -0.030 0.000 0.761 443 P CB 0.809 32.495 31.700 -0.023 0.000 0.785 444 G N 1.607 110.390 108.800 -0.029 0.000 2.212 444 G HA2 -0.288 3.672 3.960 0.001 0.000 0.266 444 G HA3 -0.288 3.672 3.960 0.001 0.000 0.266 444 G C 0.675 175.552 174.900 -0.038 0.000 0.978 444 G CA 0.380 45.466 45.100 -0.024 0.000 0.632 444 G HN 0.443 nan 8.290 nan 0.000 0.537 445 V N -0.327 119.556 119.914 -0.053 0.000 3.159 445 V HA 0.310 4.430 4.120 0.001 0.000 0.234 445 V C 1.532 177.572 176.094 -0.091 0.000 1.313 445 V CA 1.197 63.450 62.300 -0.078 0.000 1.271 445 V CB 0.704 32.467 31.823 -0.100 0.000 1.053 445 V HN 0.287 nan 8.190 nan 0.000 0.476 446 S N 1.534 117.185 115.700 -0.082 0.000 2.528 446 S HA 0.196 4.666 4.470 0.001 0.000 0.277 446 S C -0.394 174.172 174.600 -0.058 0.000 1.297 446 S CA -0.325 57.828 58.200 -0.078 0.000 1.052 446 S CB 0.342 63.507 63.200 -0.059 0.000 0.917 446 S HN 0.384 nan 8.310 nan 0.000 0.492 447 D N 2.444 122.810 120.400 -0.057 0.000 2.533 447 D HA 0.108 4.749 4.640 0.001 0.000 0.236 447 D C 0.241 176.521 176.300 -0.034 0.000 1.137 447 D CA 0.265 54.240 54.000 -0.043 0.000 0.867 447 D CB 0.471 41.245 40.800 -0.043 0.000 1.170 447 D HN 0.570 nan 8.370 nan 0.000 0.474 448 A N 3.223 126.026 122.820 -0.028 0.000 3.026 448 A HA 0.072 4.392 4.320 0.001 0.000 0.272 448 A C -0.330 177.242 177.584 -0.020 0.000 1.782 448 A CA -0.291 51.730 52.037 -0.026 0.000 1.451 448 A CB -0.282 18.702 19.000 -0.027 0.000 1.081 448 A HN 0.236 nan 8.150 nan 0.000 0.611 449 D N 1.496 121.885 120.400 -0.018 0.000 2.443 449 D HA 0.581 5.222 4.640 0.001 0.000 0.221 449 D C -0.417 175.876 176.300 -0.011 0.000 1.097 449 D CA 0.429 54.421 54.000 -0.014 0.000 0.865 449 D CB 0.914 41.706 40.800 -0.013 0.000 1.034 449 D HN 0.398 nan 8.370 nan 0.000 0.511 450 L N 1.001 122.214 121.223 -0.016 0.000 2.424 450 L HA 0.607 4.947 4.340 0.001 0.000 0.258 450 L C -0.752 176.096 176.870 -0.038 0.000 0.995 450 L CA -1.154 53.677 54.840 -0.016 0.000 0.821 450 L CB 2.538 44.584 42.059 -0.021 0.000 1.383 450 L HN -0.101 nan 8.230 nan 0.000 0.410 451 V N 2.811 122.701 119.914 -0.041 0.000 2.487 451 V HA 0.486 4.607 4.120 0.001 0.000 0.298 451 V C -0.320 175.703 176.094 -0.118 0.000 1.028 451 V CA -0.331 61.874 62.300 -0.159 0.000 0.860 451 V CB 2.134 33.778 31.823 -0.299 0.000 0.991 451 V HN 0.476 nan 8.190 nan 0.000 0.427 452 I N 4.137 124.612 120.570 -0.159 0.000 2.330 452 I HA 0.358 4.528 4.170 0.001 0.000 0.289 452 I C -0.361 175.626 176.117 -0.216 0.000 1.001 452 I CA -0.139 61.120 61.300 -0.068 0.000 1.193 452 I CB 1.056 39.039 38.000 -0.028 0.000 1.345 452 I HN 0.568 nan 8.210 nan 0.000 0.461 453 W N 4.665 125.919 121.300 -0.078 0.000 2.116 453 W HA 0.366 5.027 4.660 0.001 0.000 0.374 453 W C -0.036 176.345 176.519 -0.231 0.000 1.445 453 W CA 0.028 57.283 57.345 -0.150 0.000 1.582 453 W CB 0.215 29.608 29.460 -0.111 0.000 1.263 453 W HN 0.226 nan 8.180 nan 0.000 0.683 454 Y N 2.207 122.593 120.300 0.142 0.000 2.301 454 Y HA 0.218 4.768 4.550 0.001 0.000 0.328 454 Y C -1.471 174.450 175.900 0.035 0.000 1.242 454 Y CA -2.109 55.961 58.100 -0.050 0.000 1.323 454 Y CB -0.264 38.124 38.460 -0.121 0.000 1.266 454 Y HN -0.095 nan 8.280 nan 0.000 0.527 455 P HA -0.001 nan 4.420 nan 0.000 0.271 455 P C -0.388 177.018 177.300 0.176 0.000 1.216 455 P CA 0.037 63.212 63.100 0.126 0.000 0.771 455 P CB 1.220 32.998 31.700 0.130 0.000 0.864 456 D N 1.175 121.657 120.400 0.138 0.000 2.137 456 D HA -0.086 4.555 4.640 0.001 0.000 0.202 456 D C 0.626 176.998 176.300 0.120 0.000 0.970 456 D CA 1.373 55.474 54.000 0.170 0.000 0.837 456 D CB 0.073 40.996 40.800 0.204 0.000 0.981 456 D HN 0.458 nan 8.370 nan 0.000 0.475 457 D N 0.541 120.991 120.400 0.084 0.000 2.358 457 D HA 0.023 4.663 4.640 0.001 0.000 0.224 457 D C 0.091 176.434 176.300 0.070 0.000 1.123 457 D CA 0.078 54.116 54.000 0.063 0.000 0.833 457 D CB 0.590 41.414 40.800 0.039 0.000 0.946 457 D HN -0.080 nan 8.370 nan 0.000 0.505 458 S N 0.474 116.238 115.700 0.108 0.000 2.562 458 S HA 0.127 4.598 4.470 0.001 0.000 0.275 458 S C 1.148 175.797 174.600 0.083 0.000 1.281 458 S CA -0.411 57.859 58.200 0.116 0.000 1.045 458 S CB 1.140 64.470 63.200 0.217 0.000 0.962 458 S HN -0.109 nan 8.310 nan 0.000 0.503 459 K N 2.304 122.728 120.400 0.040 0.000 2.374 459 K HA 0.111 4.431 4.320 0.001 0.000 0.196 459 K C 0.362 176.940 176.600 -0.038 0.000 1.023 459 K CA 0.016 56.307 56.287 0.008 0.000 1.103 459 K CB -0.035 32.465 32.500 -0.001 0.000 0.848 459 K HN 0.534 nan 8.250 nan 0.000 0.528 460 K N 2.276 122.635 120.400 -0.067 0.000 2.401 460 K HA -0.048 4.273 4.320 0.001 0.000 0.278 460 K C -0.274 176.101 176.600 -0.374 0.000 1.018 460 K CA 0.008 56.154 56.287 -0.236 0.000 0.981 460 K CB 0.529 32.837 32.500 -0.318 0.000 0.933 460 K HN -0.149 nan 8.250 nan 0.000 0.477 461 E N 3.496 123.479 120.200 -0.360 0.000 2.290 461 E HA 0.056 4.407 4.350 0.001 0.000 0.277 461 E C -1.616 174.692 176.600 -0.488 0.000 1.035 461 E CA -0.092 56.131 56.400 -0.294 0.000 0.873 461 E CB 0.418 30.022 29.700 -0.160 0.000 1.029 461 E HN 0.450 nan 8.360 nan 0.000 0.419 462 Y N 4.717 125.004 120.300 -0.022 0.000 2.447 462 Y HA 0.231 4.781 4.550 0.001 0.000 0.325 462 Y C 0.678 176.536 175.900 -0.070 0.000 0.976 462 Y CA -0.966 57.122 58.100 -0.020 0.000 1.280 462 Y CB 1.045 39.484 38.460 -0.034 0.000 1.104 462 Y HN 0.573 nan 8.280 nan 0.000 0.486 463 N N 0.434 119.176 118.700 0.071 0.000 2.192 463 N HA -0.199 4.542 4.740 0.001 0.000 0.188 463 N C 1.730 177.243 175.510 0.005 0.000 1.013 463 N CA 1.775 54.836 53.050 0.018 0.000 0.863 463 N CB -0.228 38.266 38.487 0.012 0.000 0.990 463 N HN 0.604 nan 8.380 nan 0.000 0.430 464 S N -0.441 115.286 115.700 0.044 0.000 2.496 464 S HA 0.003 4.473 4.470 0.001 0.000 0.224 464 S C 0.838 175.415 174.600 -0.038 0.000 0.996 464 S CA -0.074 58.138 58.200 0.019 0.000 0.927 464 S CB 0.133 63.374 63.200 0.069 0.000 0.774 464 S HN 0.194 nan 8.310 nan 0.000 0.524 465 K N 3.965 124.262 120.400 -0.172 0.000 2.349 465 K HA 0.246 4.566 4.320 0.001 0.000 0.288 465 K C -2.591 173.865 176.600 -0.239 0.000 1.058 465 K CA -1.912 54.106 56.287 -0.447 0.000 0.953 465 K CB 0.479 32.415 32.500 -0.940 0.000 0.997 465 K HN 0.157 nan 8.250 nan 0.000 0.477 466 P HA 0.112 nan 4.420 nan 0.000 0.275 466 P C -0.717 176.504 177.300 -0.132 0.000 1.227 466 P CA -0.229 62.736 63.100 -0.225 0.000 0.781 466 P CB 1.300 32.738 31.700 -0.437 0.000 0.906 467 K N 0.989 121.335 120.400 -0.090 0.000 2.202 467 K HA 0.199 4.519 4.320 0.001 0.000 0.201 467 K C 0.646 177.243 176.600 -0.006 0.000 1.051 467 K CA 0.581 56.848 56.287 -0.032 0.000 0.977 467 K CB 0.095 32.582 32.500 -0.022 0.000 0.792 467 K HN 0.393 nan 8.250 nan 0.000 0.469 468 L N 1.048 122.251 121.223 -0.034 0.000 2.333 468 L HA 0.454 4.794 4.340 0.001 0.000 0.269 468 L C -0.302 176.538 176.870 -0.050 0.000 1.010 468 L CA -1.104 53.736 54.840 0.000 0.000 0.818 468 L CB 1.900 43.967 42.059 0.013 0.000 1.306 468 L HN -0.074 nan 8.230 nan 0.000 0.430 469 I N 1.538 122.121 120.570 0.023 0.000 2.396 469 I HA 0.211 4.381 4.170 0.001 0.000 0.289 469 I C 0.317 176.448 176.117 0.023 0.000 1.056 469 I CA 0.320 61.626 61.300 0.011 0.000 1.365 469 I CB 1.245 39.340 38.000 0.158 0.000 1.407 469 I HN 0.701 nan 8.210 nan 0.000 0.509 470 T N 0.831 115.363 114.554 -0.036 0.000 2.916 470 T HA 0.278 4.628 4.350 0.001 0.000 0.292 470 T C 0.546 175.244 174.700 -0.003 0.000 1.064 470 T CA -0.869 61.228 62.100 -0.005 0.000 1.011 470 T CB 1.658 70.506 68.868 -0.034 0.000 1.152 470 T HN 0.473 nan 8.240 nan 0.000 0.510 471 N N 0.711 119.435 118.700 0.040 0.000 2.104 471 N HA -0.134 4.606 4.740 0.001 0.000 0.190 471 N C 1.739 177.254 175.510 0.008 0.000 1.024 471 N CA 1.667 54.757 53.050 0.066 0.000 0.853 471 N CB -0.265 38.311 38.487 0.147 0.000 1.008 471 N HN 0.711 nan 8.380 nan 0.000 0.424 472 K N -0.216 120.185 120.400 0.002 0.000 2.103 472 K HA -0.140 4.180 4.320 0.001 0.000 0.207 472 K C 1.819 178.394 176.600 -0.043 0.000 1.048 472 K CA 0.985 57.267 56.287 -0.008 0.000 0.930 472 K CB -0.285 32.208 32.500 -0.012 0.000 0.716 472 K HN 0.216 nan 8.250 nan 0.000 0.444 473 L N 0.986 122.155 121.223 -0.089 0.000 2.265 473 L HA -0.138 4.202 4.340 0.001 0.000 0.215 473 L C 1.892 178.719 176.870 -0.071 0.000 1.117 473 L CA 1.292 56.053 54.840 -0.132 0.000 0.782 473 L CB -0.148 41.724 42.059 -0.312 0.000 0.914 473 L HN 0.234 nan 8.230 nan 0.000 0.441 474 M N -1.046 118.467 119.600 -0.146 0.000 2.319 474 M HA -0.037 4.443 4.480 0.001 0.000 0.265 474 M C 0.734 176.908 176.300 -0.211 0.000 1.068 474 M CA 0.578 55.711 55.300 -0.279 0.000 1.118 474 M CB -0.708 31.355 32.600 -0.894 0.000 1.395 474 M HN 0.189 nan 8.290 nan 0.000 0.435 475 E N 1.305 121.446 120.200 -0.098 0.000 2.539 475 E HA -0.219 4.131 4.350 0.001 0.000 0.253 475 E C 0.073 176.700 176.600 0.046 0.000 1.145 475 E CA 0.850 57.239 56.400 -0.019 0.000 0.738 475 E CB -2.374 27.301 29.700 -0.041 0.000 1.308 475 E HN 0.814 nan 8.360 nan 0.000 0.409 476 H N -2.494 116.572 119.070 -0.006 0.000 2.810 476 H HA 0.536 5.092 4.556 0.001 0.000 0.316 476 H C 0.742 176.022 175.328 -0.080 0.000 1.426 476 H CA -0.834 55.210 56.048 -0.007 0.000 1.413 476 H CB 0.872 30.657 29.762 0.038 0.000 1.874 476 H HN -0.116 nan 8.280 nan 0.000 0.737 477 N N -0.536 118.073 118.700 -0.152 0.000 2.270 477 N HA 0.073 4.813 4.740 0.001 0.000 0.198 477 N C -0.851 174.452 175.510 -0.345 0.000 1.117 477 N CA -0.195 52.622 53.050 -0.387 0.000 0.845 477 N CB -0.006 37.959 38.487 -0.871 0.000 0.980 477 N HN 0.462 nan 8.380 nan 0.000 0.486 478 C N 0.396 119.319 119.300 -0.627 0.000 2.382 478 C HA 0.292 4.752 4.460 0.001 0.000 0.363 478 C C 1.093 175.929 174.990 -0.256 0.000 1.213 478 C CA -0.541 58.155 59.018 -0.536 0.000 2.363 478 C CB 0.561 27.825 27.740 -0.794 0.000 2.397 478 C HN 0.595 nan 8.230 nan 0.000 0.573 479 D N 0.246 120.668 120.400 0.036 0.000 2.349 479 D HA 0.148 4.788 4.640 0.001 0.000 0.214 479 D C -0.271 176.266 176.300 0.394 0.000 1.063 479 D CA 0.271 54.402 54.000 0.219 0.000 0.847 479 D CB -0.237 40.734 40.800 0.284 0.000 0.933 479 D HN 0.708 nan 8.370 nan 0.000 0.513 480 Y N -2.057 118.361 120.300 0.197 0.000 2.597 480 Y HA 0.642 5.193 4.550 0.001 0.000 0.340 480 Y C -1.411 174.620 175.900 0.217 0.000 1.097 480 Y CA -1.310 56.921 58.100 0.218 0.000 1.037 480 Y CB 1.448 40.035 38.460 0.212 0.000 1.305 480 Y HN -0.170 nan 8.280 nan 0.000 0.463 481 T N 3.195 117.795 114.554 0.078 0.000 2.886 481 T HA 0.417 4.767 4.350 0.001 0.000 0.292 481 T C -2.332 172.426 174.700 0.098 0.000 1.012 481 T CA -2.313 59.759 62.100 -0.048 0.000 0.982 481 T CB 1.699 70.639 68.868 0.120 0.000 1.018 481 T HN 0.592 nan 8.240 nan 0.000 0.451 482 P HA 0.037 nan 4.420 nan 0.000 0.222 482 P C 0.745 177.940 177.300 -0.176 0.000 1.147 482 P CA 0.939 63.967 63.100 -0.120 0.000 0.790 482 P CB -0.106 31.368 31.700 -0.377 0.000 0.780 483 F N -0.352 119.708 119.950 0.182 0.000 2.664 483 F HA 0.216 4.744 4.527 0.001 0.000 0.301 483 F C 1.068 176.950 175.800 0.137 0.000 1.126 483 F CA -0.772 57.315 58.000 0.145 0.000 1.373 483 F CB -0.602 38.469 39.000 0.120 0.000 1.042 483 F HN -0.150 nan 8.300 nan 0.000 0.535 484 E N 0.970 121.316 120.200 0.242 0.000 2.558 484 E HA 0.266 4.617 4.350 0.001 0.000 0.255 484 E C 1.260 177.960 176.600 0.167 0.000 0.968 484 E CA 1.091 57.603 56.400 0.187 0.000 0.939 484 E CB 0.215 30.019 29.700 0.174 0.000 0.921 484 E HN 0.475 nan 8.360 nan 0.000 0.477 485 G N 3.523 112.405 108.800 0.136 0.000 2.241 485 G HA2 -0.298 3.663 3.960 0.001 0.000 0.244 485 G HA3 -0.298 3.663 3.960 0.001 0.000 0.244 485 G C 0.459 175.439 174.900 0.133 0.000 0.998 485 G CA 0.088 45.257 45.100 0.116 0.000 0.621 485 G HN 0.850 nan 8.290 nan 0.000 0.519 486 I N -0.562 120.115 120.570 0.178 0.000 2.662 486 I HA 0.719 4.889 4.170 0.001 0.000 0.291 486 I C 0.368 176.602 176.117 0.195 0.000 1.046 486 I CA -0.833 60.591 61.300 0.207 0.000 1.361 486 I CB 0.700 38.862 38.000 0.269 0.000 1.429 486 I HN 0.127 nan 8.210 nan 0.000 0.558 487 E N 3.990 124.308 120.200 0.196 0.000 2.384 487 E HA 0.305 4.655 4.350 0.001 0.000 0.266 487 E C -0.899 175.825 176.600 0.208 0.000 1.012 487 E CA -0.115 56.378 56.400 0.156 0.000 0.901 487 E CB 1.353 31.118 29.700 0.108 0.000 0.967 487 E HN 0.506 nan 8.360 nan 0.000 0.435 488 I N 2.795 123.465 120.570 0.167 0.000 2.478 488 I HA 0.082 4.252 4.170 0.001 0.000 0.287 488 I C 0.182 176.403 176.117 0.173 0.000 1.042 488 I CA -0.217 61.218 61.300 0.224 0.000 1.067 488 I CB 1.220 39.410 38.000 0.317 0.000 1.233 488 I HN 0.385 nan 8.210 nan 0.000 0.431 489 K N 4.365 124.863 120.400 0.162 0.000 2.393 489 K HA 0.257 4.578 4.320 0.001 0.000 0.193 489 K C 0.246 176.967 176.600 0.202 0.000 1.026 489 K CA 0.112 56.480 56.287 0.134 0.000 1.064 489 K CB 0.127 32.668 32.500 0.069 0.000 0.833 489 K HN 0.498 nan 8.250 nan 0.000 0.521 490 N N -0.591 118.280 118.700 0.285 0.000 2.708 490 N HA 0.242 4.983 4.740 0.001 0.000 0.257 490 N C -2.071 173.781 175.510 0.571 0.000 1.373 490 N CA -0.498 52.750 53.050 0.329 0.000 0.843 490 N CB 1.973 40.508 38.487 0.081 0.000 1.503 490 N HN 0.002 nan 8.380 nan 0.000 0.504 491 W N 1.625 123.163 121.300 0.397 0.000 3.248 491 W HA 0.369 5.029 4.660 0.001 0.000 0.311 491 W C -2.863 173.639 176.519 -0.028 0.000 1.258 491 W CA -1.274 56.218 57.345 0.244 0.000 1.191 491 W CB 1.579 31.151 29.460 0.187 0.000 1.389 491 W HN 0.324 nan 8.180 nan 0.000 0.561 492 P HA 0.018 nan 4.420 nan 0.000 0.262 492 P C 0.458 177.658 177.300 -0.167 0.000 1.182 492 P CA 0.787 63.414 63.100 -0.790 0.000 0.761 492 P CB 0.565 31.774 31.700 -0.817 0.000 0.795 493 R N 2.626 122.847 120.500 -0.465 0.000 2.175 493 R HA 0.095 4.435 4.340 0.001 0.000 0.202 493 R C -0.266 175.681 176.300 -0.588 0.000 1.018 493 R CA 0.779 56.464 56.100 -0.692 0.000 1.029 493 R CB 0.306 29.876 30.300 -1.216 0.000 0.959 493 R HN 0.436 nan 8.270 nan 0.000 0.480 494 Y N -0.492 119.650 120.300 -0.263 0.000 2.386 494 Y HA 0.315 4.866 4.550 0.001 0.000 0.334 494 Y C -0.895 174.932 175.900 -0.122 0.000 1.002 494 Y CA -0.821 57.191 58.100 -0.146 0.000 1.068 494 Y CB 2.544 40.914 38.460 -0.150 0.000 1.203 494 Y HN -0.205 nan 8.280 nan 0.000 0.443 495 T N 5.101 119.727 114.554 0.120 0.000 2.772 495 T HA 0.598 4.948 4.350 0.001 0.000 0.288 495 T C -0.366 174.374 174.700 0.065 0.000 0.994 495 T CA -0.455 61.662 62.100 0.027 0.000 0.951 495 T CB 0.371 69.218 68.868 -0.035 0.000 0.933 495 T HN 0.360 nan 8.240 nan 0.000 0.447 496 I N 3.245 123.830 120.570 0.026 0.000 2.339 496 I HA 0.436 4.606 4.170 0.001 0.000 0.290 496 I C -0.474 175.650 176.117 0.013 0.000 0.994 496 I CA -0.962 60.354 61.300 0.028 0.000 1.191 496 I CB 1.534 39.537 38.000 0.005 0.000 1.343 496 I HN 0.279 nan 8.210 nan 0.000 0.458 497 V N 6.435 126.364 119.914 0.025 0.000 2.378 497 V HA 0.287 4.407 4.120 0.001 0.000 0.288 497 V C 0.270 176.370 176.094 0.011 0.000 1.016 497 V CA -1.005 61.306 62.300 0.017 0.000 0.840 497 V CB 1.110 32.953 31.823 0.033 0.000 0.994 497 V HN 0.769 nan 8.190 nan 0.000 0.431 498 K N 3.832 124.231 120.400 -0.002 0.000 3.148 498 K HA -0.250 4.071 4.320 0.001 0.000 0.267 498 K C 1.122 177.721 176.600 -0.002 0.000 0.996 498 K CA 0.651 56.934 56.287 -0.007 0.000 0.737 498 K CB -1.435 31.060 32.500 -0.008 0.000 1.308 498 K HN 1.583 nan 8.250 nan 0.000 0.470 499 G N -0.352 108.446 108.800 -0.002 0.000 2.179 499 G HA2 -0.328 3.633 3.960 0.001 0.000 0.260 499 G HA3 -0.328 3.633 3.960 0.001 0.000 0.260 499 G C -0.157 174.749 174.900 0.009 0.000 0.977 499 G CA 0.776 45.876 45.100 -0.000 0.000 0.641 499 G HN 0.326 nan 8.290 nan 0.000 0.533 500 K N 0.030 120.441 120.400 0.018 0.000 2.259 500 K HA 0.603 4.924 4.320 0.001 0.000 0.252 500 K C 0.072 176.702 176.600 0.049 0.000 0.936 500 K CA -1.071 55.234 56.287 0.030 0.000 0.810 500 K CB 2.146 34.664 32.500 0.030 0.000 1.143 500 K HN 0.172 nan 8.250 nan 0.000 0.427 501 I N 2.829 123.436 120.570 0.063 0.000 2.494 501 I HA -0.073 4.098 4.170 0.001 0.000 0.289 501 I C 1.076 177.253 176.117 0.099 0.000 1.106 501 I CA -0.061 61.297 61.300 0.097 0.000 1.369 501 I CB 0.396 38.474 38.000 0.129 0.000 1.410 501 I HN 0.399 nan 8.210 nan 0.000 0.523 502 V N 6.412 126.399 119.914 0.122 0.000 3.431 502 V HA 0.041 4.161 4.120 0.001 0.000 0.253 502 V C -0.173 176.046 176.094 0.208 0.000 1.184 502 V CA 0.252 62.648 62.300 0.161 0.000 1.104 502 V CB -0.312 31.614 31.823 0.172 0.000 0.799 502 V HN 0.632 nan 8.190 nan 0.000 0.462 503 Y N 1.216 121.520 120.300 0.007 0.000 2.386 503 Y HA 0.609 5.160 4.550 0.001 0.000 0.334 503 Y C -0.508 175.336 175.900 -0.094 0.000 1.002 503 Y CA -1.327 56.750 58.100 -0.038 0.000 1.068 503 Y CB 1.477 39.901 38.460 -0.061 0.000 1.203 503 Y HN -0.035 nan 8.280 nan 0.000 0.443 504 K N 5.554 125.629 120.400 -0.541 0.000 2.637 504 K HA 0.266 4.586 4.320 0.001 0.000 0.248 504 K C -0.894 175.293 176.600 -0.688 0.000 0.971 504 K CA -0.349 55.574 56.287 -0.607 0.000 0.858 504 K CB 0.899 33.192 32.500 -0.346 0.000 1.170 504 K HN 0.895 nan 8.250 nan 0.000 0.443 505 E N 2.518 122.306 120.200 -0.687 0.000 2.228 505 E HA -0.283 4.068 4.350 0.001 0.000 0.213 505 E C 0.451 176.852 176.600 -0.332 0.000 1.282 505 E CA 0.832 57.008 56.400 -0.373 0.000 0.707 505 E CB -1.397 28.146 29.700 -0.262 0.000 1.150 505 E HN 1.167 nan 8.360 nan 0.000 0.362 506 G N -0.445 108.024 108.800 -0.551 0.000 2.175 506 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 506 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 506 G C -0.089 174.621 174.900 -0.318 0.000 0.982 506 G CA 0.305 45.217 45.100 -0.313 0.000 0.641 506 G HN 0.232 nan 8.290 nan 0.000 0.527 507 E N 0.405 120.309 120.200 -0.494 0.000 2.187 507 E HA 0.539 4.890 4.350 0.001 0.000 0.268 507 E C 0.181 176.678 176.600 -0.173 0.000 0.896 507 E CA -0.835 55.427 56.400 -0.230 0.000 0.766 507 E CB 1.469 31.079 29.700 -0.150 0.000 1.142 507 E HN 0.194 nan 8.360 nan 0.000 0.408 508 I N 3.493 124.090 120.570 0.044 0.000 2.416 508 I HA 0.108 4.278 4.170 0.001 0.000 0.288 508 I C 0.430 176.612 176.117 0.108 0.000 1.051 508 I CA -0.318 61.062 61.300 0.134 0.000 1.375 508 I CB 0.355 38.404 38.000 0.083 0.000 1.407 508 I HN 0.332 nan 8.210 nan 0.000 0.516 509 L N 7.397 128.701 121.223 0.135 0.000 2.353 509 L HA 0.246 4.586 4.340 0.001 0.000 0.269 509 L C 1.540 178.515 176.870 0.175 0.000 1.085 509 L CA -0.294 54.617 54.840 0.118 0.000 0.938 509 L CB 0.356 42.463 42.059 0.080 0.000 1.312 509 L HN 0.651 nan 8.230 nan 0.000 0.429 510 K N 1.663 122.184 120.400 0.202 0.000 2.103 510 K HA -0.202 4.118 4.320 0.001 0.000 0.207 510 K C 1.312 177.942 176.600 0.050 0.000 1.048 510 K CA 1.759 58.168 56.287 0.203 0.000 0.930 510 K CB 0.384 32.999 32.500 0.191 0.000 0.716 510 K HN 0.557 nan 8.250 nan 0.000 0.444 511 E N 0.471 120.700 120.200 0.049 0.000 2.267 511 E HA -0.161 4.190 4.350 0.001 0.000 0.197 511 E C 1.019 177.626 176.600 0.011 0.000 0.998 511 E CA 1.054 57.466 56.400 0.019 0.000 0.830 511 E CB -0.114 29.602 29.700 0.025 0.000 0.751 511 E HN 0.304 nan 8.360 nan 0.000 0.491 512 N N 0.147 118.866 118.700 0.031 0.000 2.236 512 N HA 0.162 4.903 4.740 0.001 0.000 0.196 512 N C -0.468 175.048 175.510 0.011 0.000 1.114 512 N CA 0.375 53.442 53.050 0.029 0.000 0.859 512 N CB 0.514 39.034 38.487 0.054 0.000 0.982 512 N HN 0.129 nan 8.380 nan 0.000 0.493 513 A N 0.952 123.744 122.820 -0.047 0.000 2.476 513 A HA 0.129 4.449 4.320 0.001 0.000 0.275 513 A C 0.102 177.607 177.584 -0.132 0.000 1.133 513 A CA 0.281 52.216 52.037 -0.169 0.000 0.797 513 A CB -0.146 18.497 19.000 -0.596 0.000 1.081 513 A HN 0.061 nan 8.150 nan 0.000 0.510 514 D N 2.089 122.447 120.400 -0.069 0.000 2.940 514 D HA 0.277 4.917 4.640 0.001 0.000 0.366 514 D C 0.666 176.957 176.300 -0.016 0.000 1.446 514 D CA 0.448 54.423 54.000 -0.042 0.000 0.780 514 D CB -0.105 40.682 40.800 -0.022 0.000 1.206 514 D HN 0.654 nan 8.370 nan 0.000 0.454 515 G N 0.870 109.662 108.800 -0.012 0.000 2.544 515 G HA2 0.432 4.392 3.960 0.001 0.000 0.242 515 G HA3 0.432 4.392 3.960 0.001 0.000 0.242 515 G C -0.188 174.755 174.900 0.072 0.000 1.247 515 G CA -0.097 45.025 45.100 0.037 0.000 0.840 515 G HN 0.165 nan 8.290 nan 0.000 0.578 516 K N -0.397 120.048 120.400 0.075 0.000 2.508 516 K HA 0.271 4.592 4.320 0.001 0.000 0.260 516 K C -1.206 175.377 176.600 -0.027 0.000 0.949 516 K CA -0.913 55.420 56.287 0.076 0.000 0.834 516 K CB 2.205 34.716 32.500 0.018 0.000 1.365 516 K HN 0.522 nan 8.250 nan 0.000 0.437 517 Y N 1.909 122.093 120.300 -0.193 0.000 2.712 517 Y HA 0.133 4.684 4.550 0.001 0.000 0.333 517 Y C -0.847 174.829 175.900 -0.373 0.000 1.225 517 Y CA 0.087 57.817 58.100 -0.616 0.000 1.499 517 Y CB 0.353 38.589 38.460 -0.373 0.000 1.288 517 Y HN 0.376 nan 8.280 nan 0.000 0.575 518 L N 7.407 127.822 121.223 -1.348 0.000 2.294 518 L HA 0.396 4.736 4.340 0.001 0.000 0.283 518 L C -0.856 175.406 176.870 -1.013 0.000 1.015 518 L CA -0.527 53.788 54.840 -0.874 0.000 0.831 518 L CB 0.810 42.539 42.059 -0.550 0.000 1.217 518 L HN 0.571 nan 8.230 nan 0.000 0.420 519 K N 4.988 125.025 120.400 -0.606 0.000 2.339 519 K HA 0.369 4.689 4.320 0.001 0.000 0.286 519 K C -0.314 176.142 176.600 -0.240 0.000 1.050 519 K CA -0.118 55.962 56.287 -0.345 0.000 0.956 519 K CB 0.716 33.108 32.500 -0.179 0.000 0.990 519 K HN 0.515 nan 8.250 nan 0.000 0.475 520 R N 0.902 121.300 120.500 -0.170 0.000 2.674 520 R HA 0.431 4.771 4.340 0.001 0.000 0.266 520 R C 0.460 176.803 176.300 0.072 0.000 1.016 520 R CA -0.849 55.211 56.100 -0.067 0.000 1.062 520 R CB 1.319 31.580 30.300 -0.065 0.000 1.142 520 R HN 0.697 nan 8.270 nan 0.000 0.517 521 G N 0.482 109.352 108.800 0.116 0.000 2.642 521 G HA2 0.273 4.233 3.960 0.001 0.000 0.291 521 G HA3 0.273 4.233 3.960 0.001 0.000 0.291 521 G C -0.771 174.215 174.900 0.144 0.000 1.345 521 G CA -0.639 44.597 45.100 0.226 0.000 1.043 521 G HN 0.202 nan 8.290 nan 0.000 0.528 522 K N 0.647 121.079 120.400 0.054 0.000 2.322 522 K HA 0.245 4.566 4.320 0.001 0.000 0.283 522 K C 0.311 176.911 176.600 -0.000 0.000 1.042 522 K CA -0.138 56.108 56.287 -0.070 0.000 0.958 522 K CB 1.466 33.895 32.500 -0.118 0.000 0.984 522 K HN 0.341 nan 8.250 nan 0.000 0.473 523 S N 2.343 118.013 115.700 -0.052 0.000 2.549 523 S HA 0.077 4.548 4.470 0.001 0.000 0.279 523 S C 1.213 175.768 174.600 -0.075 0.000 1.321 523 S CA -0.627 57.512 58.200 -0.103 0.000 1.054 523 S CB 0.068 63.125 63.200 -0.239 0.000 0.899 523 S HN 0.459 nan 8.310 nan 0.000 0.497 524 F N 4.051 123.970 119.950 -0.051 0.000 2.407 524 F HA 0.144 4.671 4.527 0.001 0.000 0.299 524 F C 1.623 177.390 175.800 -0.054 0.000 1.097 524 F CA 0.690 58.665 58.000 -0.042 0.000 1.422 524 F CB -0.515 38.465 39.000 -0.033 0.000 1.067 524 F HN 0.513 nan 8.300 nan 0.000 0.539 525 M N -0.416 118.719 119.600 -0.775 0.000 2.476 525 M HA -0.045 4.435 4.480 0.001 0.000 0.262 525 M C 0.769 176.975 176.300 -0.156 0.000 1.079 525 M CA 0.656 55.617 55.300 -0.564 0.000 1.104 525 M CB -0.380 31.660 32.600 -0.933 0.000 1.409 525 M HN 0.323 nan 8.290 nan 0.000 0.467 526 C N 0.484 119.709 119.300 -0.125 0.000 3.000 526 C HA 0.155 4.616 4.460 0.001 0.000 0.286 526 C C 1.361 176.358 174.990 0.012 0.000 1.343 526 C CA -0.663 58.349 59.018 -0.010 0.000 1.742 526 C CB -1.458 26.262 27.740 -0.033 0.000 2.200 526 C HN 0.471 nan 8.230 nan 0.000 0.621 527 T N 1.015 115.581 114.554 0.019 0.000 2.930 527 T HA 0.259 4.609 4.350 0.001 0.000 0.306 527 T C -2.233 172.475 174.700 0.012 0.000 1.045 527 T CA -0.683 61.434 62.100 0.028 0.000 1.134 527 T CB 0.523 69.418 68.868 0.046 0.000 0.961 527 T HN 0.197 nan 8.240 nan 0.000 0.545 528 P HA 0.226 nan 4.420 nan 0.000 0.274 528 P C 0.582 177.839 177.300 -0.071 0.000 1.237 528 P CA -0.651 62.417 63.100 -0.053 0.000 0.793 528 P CB 0.904 32.571 31.700 -0.055 0.000 0.977 529 K N 1.021 121.342 120.400 -0.131 0.000 2.283 529 K HA -0.092 4.229 4.320 0.001 0.000 0.202 529 K C 0.147 176.667 176.600 -0.133 0.000 1.048 529 K CA 0.515 56.727 56.287 -0.126 0.000 0.948 529 K CB -0.755 31.649 32.500 -0.161 0.000 0.742 529 K HN 0.560 nan 8.250 nan 0.000 0.458 530 N N 1.240 119.823 118.700 -0.195 0.000 2.738 530 N HA -0.189 4.551 4.740 0.001 0.000 0.249 530 N C -0.984 174.411 175.510 -0.191 0.000 1.047 530 N CA 0.589 53.554 53.050 -0.141 0.000 0.707 530 N CB -0.549 37.957 38.487 0.031 0.000 0.937 530 N HN 0.254 nan 8.380 nan 0.000 0.545 531 E N -0.332 119.586 120.200 -0.471 0.000 2.224 531 E HA 0.497 4.847 4.350 0.001 0.000 0.265 531 E C -1.146 175.134 176.600 -0.533 0.000 0.878 531 E CA -0.638 55.579 56.400 -0.305 0.000 0.759 531 E CB 1.093 30.680 29.700 -0.190 0.000 1.164 531 E HN 0.202 nan 8.360 nan 0.000 0.414 532 W N 2.498 123.806 121.300 0.013 0.000 2.864 532 W HA 0.308 4.969 4.660 0.001 0.000 0.343 532 W C 0.682 177.232 176.519 0.051 0.000 1.109 532 W CA -0.717 56.654 57.345 0.044 0.000 1.192 532 W CB 1.128 30.614 29.460 0.043 0.000 1.426 532 W HN 0.278 nan 8.180 nan 0.000 0.529 533 V N 0.547 120.656 119.914 0.326 0.000 2.488 533 V HA -0.069 4.052 4.120 0.001 0.000 0.246 533 V C 0.976 177.186 176.094 0.193 0.000 1.046 533 V CA 2.011 64.432 62.300 0.201 0.000 1.053 533 V CB -0.882 31.039 31.823 0.163 0.000 0.679 533 V HN 0.708 nan 8.190 nan 0.000 0.458 534 T N -2.009 112.694 114.554 0.250 0.000 2.762 534 T HA 0.311 4.661 4.350 0.001 0.000 0.272 534 T C 0.901 175.695 174.700 0.156 0.000 0.982 534 T CA 0.061 62.268 62.100 0.177 0.000 1.013 534 T CB 1.775 70.737 68.868 0.156 0.000 1.309 534 T HN 0.411 nan 8.240 nan 0.000 0.572 535 E N -0.860 119.398 120.200 0.096 0.000 2.418 535 E HA -0.022 4.328 4.350 0.001 0.000 0.197 535 E C 0.195 176.770 176.600 -0.042 0.000 1.026 535 E CA -0.395 56.019 56.400 0.022 0.000 0.862 535 E CB -0.127 29.584 29.700 0.018 0.000 0.799 535 E HN 0.634 nan 8.360 nan 0.000 0.518 536 W N 2.471 123.669 121.300 -0.170 0.000 2.210 536 W HA 0.118 4.778 4.660 0.001 0.000 0.330 536 W C -0.242 175.939 176.519 -0.564 0.000 1.334 536 W CA -0.117 57.073 57.345 -0.258 0.000 1.227 536 W CB 0.599 29.964 29.460 -0.159 0.000 1.178 536 W HN -0.171 nan 8.180 nan 0.000 0.560 537 R N 5.728 125.306 120.500 -1.537 0.000 2.673 537 R HA 0.362 4.703 4.340 0.001 0.000 0.281 537 R C -2.519 172.623 176.300 -1.930 0.000 0.991 537 R CA -2.303 52.677 56.100 -1.867 0.000 0.896 537 R CB 0.998 30.631 30.300 -1.111 0.000 1.201 537 R HN 0.311 nan 8.270 nan 0.000 0.457 538 P HA 0.066 nan 4.420 nan 0.000 0.267 538 P C 0.534 177.451 177.300 -0.639 0.000 1.200 538 P CA -0.062 62.498 63.100 -0.900 0.000 0.772 538 P CB 0.760 31.899 31.700 -0.936 0.000 0.855 539 K N 1.762 122.049 120.400 -0.188 0.000 2.089 539 K HA -0.230 4.091 4.320 0.001 0.000 0.210 539 K C 1.827 178.362 176.600 -0.107 0.000 1.048 539 K CA 2.136 58.371 56.287 -0.086 0.000 0.926 539 K CB -0.611 31.950 32.500 0.100 0.000 0.714 539 K HN 0.663 nan 8.250 nan 0.000 0.448 540 Y N 0.814 121.079 120.300 -0.058 0.000 2.616 540 Y HA 0.152 4.703 4.550 0.001 0.000 0.296 540 Y C 0.644 176.491 175.900 -0.088 0.000 1.154 540 Y CA -0.193 57.873 58.100 -0.058 0.000 1.325 540 Y CB -0.300 38.134 38.460 -0.042 0.000 1.007 540 Y HN -0.126 nan 8.280 nan 0.000 0.542 541 E N 0.000 119.878 120.200 -0.537 0.000 2.725 541 E HA 0.000 4.350 4.350 0.001 0.000 0.291 541 E CA 0.000 56.162 56.400 -0.397 0.000 0.976 541 E CB 0.000 29.380 29.700 -0.534 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440