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 3bzk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDSINTRIAE ELSALPSGRV QPQQVAAAVA LLDEGSTVPF IARYRKEVTG DATA SEQUENCE SLDDTQLRML EERLRYLREL EERRGAILAS IEEQGKLTPE LARDIKLADT DATA SEQUENCE KTRLEDLYLP YKQKRRTKGQ IALEAGLGAL ADALFDDPTL VPESEAARFV DATA SEQUENCE DAEKGFADVK AVLEGAKYIL MERFAEDATL LDKLRVFMKN EATLTARVVP DATA SEQUENCE GKEQEGAKFS DYFEHDEPLK SAPSHRALAI FRGRNEGVLS ASLKVGXXAP DATA SEQUENCE GTLHPCEVMI AERFGLSNQG RAADKWLAEV VRWTWKVKLY THLETDLFGE DATA SEQUENCE LRDGAEDEAI SVFARNLHDL LLAAPAGPRA TLGLDPGLRT GVKVAVVDAT DATA SEQUENCE GKLLDTATVY PHAPKNQWDQ TLAVLAALCA KHQVELIAIG NGTASRETDK DATA SEQUENCE LAGELIKKYP GMKLTKIMVS EAGASVYSAS ELAAKEFPEL DVSLRGAVSI DATA SEQUENCE ARRLQDPLAE LVKIEPKSIG VGQYQHDVSQ LKLARSLDAV VEDCVNAVGV DATA SEQUENCE DVNTASAALL ARISGLNSTL AQNIVAHRDA NGAFRTRDEL KKVSRLGEKT DATA SEQUENCE FEQAAGFLRV MNGDNPLDAS AVHPETYPLV QRIAADTERD IRSLIGDSAF DATA SEQUENCE LKRLDPKKFT DETFGLPTVT DILKELDKPG RDPRPEFKTA EFQEGVESLK DATA SEQUENCE DLKPGMVLEG VVTNVTNFGA FVDIGVHQDG LVHISALSEK FVKDPYEVVK DATA SEQUENCE AGDIVKVKVM EVDIPRNRVG LSMRMSDTPG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 D N 1.113 121.516 120.400 0.005 0.000 2.117 2 D HA -0.116 4.530 4.640 0.009 0.000 0.197 2 D C 1.724 178.030 176.300 0.009 0.000 0.987 2 D CA 2.160 56.164 54.000 0.007 0.000 0.829 2 D CB 0.026 40.829 40.800 0.005 0.000 0.961 2 D HN 0.777 nan 8.370 nan 0.000 0.460 3 S N 0.721 116.427 115.700 0.008 0.000 2.383 3 S HA -0.153 4.322 4.470 0.009 0.000 0.229 3 S C 2.282 176.892 174.600 0.017 0.000 1.030 3 S CA 0.689 58.895 58.200 0.011 0.000 1.002 3 S CB -0.671 62.535 63.200 0.009 0.000 0.829 3 S HN 0.256 nan 8.310 nan 0.000 0.467 4 I N 2.480 123.060 120.570 0.017 0.000 2.163 4 I HA -0.176 3.999 4.170 0.009 0.000 0.240 4 I C 2.429 178.561 176.117 0.024 0.000 1.081 4 I CA 1.243 62.558 61.300 0.024 0.000 1.353 4 I CB -0.642 37.371 38.000 0.021 0.000 1.054 4 I HN 0.282 nan 8.210 nan 0.000 0.407 5 N N 0.668 119.379 118.700 0.019 0.000 2.061 5 N HA -0.172 4.573 4.740 0.009 0.000 0.193 5 N C 1.816 177.336 175.510 0.016 0.000 1.030 5 N CA 2.070 55.130 53.050 0.017 0.000 0.856 5 N CB -0.926 37.569 38.487 0.014 0.000 1.023 5 N HN 0.333 nan 8.380 nan 0.000 0.424 6 T N 0.938 115.500 114.554 0.015 0.000 2.708 6 T HA -0.143 4.212 4.350 0.009 0.000 0.266 6 T C 2.046 176.755 174.700 0.015 0.000 1.037 6 T CA 1.393 63.501 62.100 0.013 0.000 1.146 6 T CB -0.131 68.744 68.868 0.012 0.000 0.865 6 T HN 0.228 nan 8.240 nan 0.000 0.435 7 R N 0.946 121.458 120.500 0.020 0.000 2.080 7 R HA -0.007 4.338 4.340 0.009 0.000 0.236 7 R C 2.323 178.636 176.300 0.022 0.000 1.137 7 R CA 1.499 57.613 56.100 0.024 0.000 0.943 7 R CB -0.683 29.639 30.300 0.036 0.000 0.846 7 R HN 0.419 nan 8.270 nan 0.000 0.431 8 I N 0.374 120.959 120.570 0.025 0.000 2.226 8 I HA -0.237 3.939 4.170 0.009 0.000 0.245 8 I C 2.450 178.576 176.117 0.015 0.000 1.100 8 I CA 1.202 62.515 61.300 0.022 0.000 1.374 8 I CB -0.572 37.445 38.000 0.027 0.000 1.057 8 I HN 0.361 nan 8.210 nan 0.000 0.413 9 A N 0.648 123.476 122.820 0.014 0.000 1.892 9 A HA -0.246 4.079 4.320 0.009 0.000 0.218 9 A C 2.266 179.855 177.584 0.007 0.000 1.188 9 A CA 1.831 53.875 52.037 0.010 0.000 0.631 9 A CB -0.519 18.487 19.000 0.010 0.000 0.822 9 A HN 0.390 nan 8.150 nan 0.000 0.447 10 E N -0.273 119.932 120.200 0.007 0.000 2.106 10 E HA -0.162 4.193 4.350 0.009 0.000 0.192 10 E C 1.974 178.575 176.600 0.001 0.000 0.984 10 E CA 1.265 57.668 56.400 0.004 0.000 0.806 10 E CB -0.351 29.352 29.700 0.005 0.000 0.750 10 E HN 0.792 nan 8.360 nan 0.000 0.458 11 E N 0.753 120.954 120.200 0.002 0.000 2.085 11 E HA -0.146 4.209 4.350 0.009 0.000 0.194 11 E C 2.295 178.893 176.600 -0.004 0.000 0.994 11 E CA 0.733 57.130 56.400 -0.004 0.000 0.801 11 E CB -0.124 29.572 29.700 -0.006 0.000 0.743 11 E HN 0.181 nan 8.360 nan 0.000 0.453 12 L N 0.644 121.867 121.223 0.001 0.000 2.141 12 L HA -0.138 4.207 4.340 0.009 0.000 0.209 12 L C 2.393 179.263 176.870 -0.000 0.000 1.094 12 L CA 0.699 55.539 54.840 0.001 0.000 0.763 12 L CB -0.153 41.909 42.059 0.005 0.000 0.908 12 L HN 0.051 nan 8.230 nan 0.000 0.437 13 S N -0.024 115.676 115.700 0.000 0.000 2.447 13 S HA -0.083 4.392 4.470 0.009 0.000 0.233 13 S C 1.904 176.502 174.600 -0.002 0.000 1.006 13 S CA 0.985 59.185 58.200 -0.001 0.000 0.957 13 S CB -0.156 63.044 63.200 0.000 0.000 0.773 13 S HN 0.476 nan 8.310 nan 0.000 0.507 14 A N 0.553 123.370 122.820 -0.004 0.000 2.238 14 A HA 0.337 4.662 4.320 0.009 0.000 0.208 14 A C 0.637 178.217 177.584 -0.006 0.000 1.177 14 A CA 0.125 52.158 52.037 -0.006 0.000 0.804 14 A CB -0.265 18.729 19.000 -0.009 0.000 0.823 14 A HN 0.378 nan 8.150 nan 0.000 0.482 15 L N -0.195 121.025 121.223 -0.005 0.000 2.399 15 L HA 0.260 4.605 4.340 0.009 0.000 0.265 15 L C -1.009 175.859 176.870 -0.003 0.000 1.089 15 L CA -2.043 52.794 54.840 -0.005 0.000 0.802 15 L CB 0.834 42.890 42.059 -0.006 0.000 1.180 15 L HN 0.036 nan 8.230 nan 0.000 0.454 16 P HA -0.141 nan 4.420 nan 0.000 0.221 16 P C 1.120 178.417 177.300 -0.005 0.000 1.145 16 P CA 1.027 64.126 63.100 -0.002 0.000 0.795 16 P CB 0.085 31.784 31.700 -0.002 0.000 0.775 17 S N -1.585 114.111 115.700 -0.006 0.000 2.515 17 S HA 0.272 4.747 4.470 0.009 0.000 0.231 17 S C 1.289 175.886 174.600 -0.005 0.000 0.987 17 S CA 0.381 58.577 58.200 -0.006 0.000 0.936 17 S CB -1.002 62.194 63.200 -0.006 0.000 0.766 17 S HN 0.486 nan 8.310 nan 0.000 0.528 18 G N 1.324 110.121 108.800 -0.004 0.000 2.582 18 G HA2 -0.089 3.876 3.960 0.009 0.000 0.222 18 G HA3 -0.089 3.876 3.960 0.009 0.000 0.222 18 G C -0.657 174.242 174.900 -0.002 0.000 1.311 18 G CA -0.642 44.456 45.100 -0.003 0.000 0.915 18 G HN 0.554 nan 8.290 nan 0.000 0.528 19 R N -0.671 119.828 120.500 -0.001 0.000 2.522 19 R HA 0.505 4.850 4.340 0.009 0.000 0.284 19 R C -0.045 176.255 176.300 0.001 0.000 1.032 19 R CA 0.334 56.434 56.100 0.000 0.000 1.049 19 R CB 0.368 30.668 30.300 -0.000 0.000 0.956 19 R HN 0.945 nan 8.270 nan 0.000 0.422 20 V N 5.658 125.574 119.914 0.002 0.000 2.588 20 V HA 0.325 4.450 4.120 0.009 0.000 0.304 20 V C -0.433 175.664 176.094 0.005 0.000 1.042 20 V CA -0.970 61.332 62.300 0.004 0.000 0.877 20 V CB 1.822 33.649 31.823 0.005 0.000 0.996 20 V HN 0.705 nan 8.190 nan 0.000 0.425 21 Q N 4.597 124.400 119.800 0.006 0.000 2.260 21 Q HA 0.342 4.687 4.340 0.009 0.000 0.242 21 Q C -1.803 174.201 176.000 0.008 0.000 0.932 21 Q CA -2.200 53.607 55.803 0.006 0.000 0.891 21 Q CB 1.118 29.859 28.738 0.005 0.000 1.222 21 Q HN 0.322 nan 8.270 nan 0.000 0.453 22 P HA -0.175 nan 4.420 nan 0.000 0.217 22 P C 0.850 178.156 177.300 0.010 0.000 1.148 22 P CA 1.419 64.524 63.100 0.010 0.000 0.828 22 P CB 0.452 32.157 31.700 0.008 0.000 0.783 23 Q N -0.654 119.151 119.800 0.008 0.000 2.124 23 Q HA -0.160 4.185 4.340 0.009 0.000 0.202 23 Q C 2.264 178.270 176.000 0.011 0.000 0.977 23 Q CA 1.505 57.313 55.803 0.009 0.000 0.850 23 Q CB -0.803 27.939 28.738 0.006 0.000 0.901 23 Q HN 0.426 nan 8.270 nan 0.000 0.429 24 Q N -0.570 119.236 119.800 0.011 0.000 2.050 24 Q HA -0.117 4.228 4.340 0.009 0.000 0.202 24 Q C 2.134 178.144 176.000 0.017 0.000 0.980 24 Q CA 1.584 57.395 55.803 0.013 0.000 0.840 24 Q CB -0.166 28.578 28.738 0.011 0.000 0.898 24 Q HN 0.226 nan 8.270 nan 0.000 0.424 25 V N 1.292 121.216 119.914 0.016 0.000 2.287 25 V HA -0.323 3.802 4.120 0.009 0.000 0.248 25 V C 2.330 178.436 176.094 0.021 0.000 1.053 25 V CA 1.927 64.238 62.300 0.019 0.000 1.027 25 V CB -1.092 30.742 31.823 0.018 0.000 0.646 25 V HN 0.429 nan 8.190 nan 0.000 0.447 26 A N -0.084 122.747 122.820 0.018 0.000 1.908 26 A HA -0.162 4.163 4.320 0.009 0.000 0.218 26 A C 2.432 180.029 177.584 0.020 0.000 1.181 26 A CA 2.322 54.369 52.037 0.017 0.000 0.627 26 A CB -0.834 18.174 19.000 0.013 0.000 0.818 26 A HN 0.595 nan 8.150 nan 0.000 0.445 27 A N -0.210 122.623 122.820 0.021 0.000 1.877 27 A HA 0.164 4.489 4.320 0.009 0.000 0.216 27 A C 2.543 180.148 177.584 0.036 0.000 1.186 27 A CA 2.201 54.254 52.037 0.026 0.000 0.620 27 A CB -1.118 17.896 19.000 0.023 0.000 0.822 27 A HN 1.096 nan 8.150 nan 0.000 0.443 28 A N -0.508 122.333 122.820 0.036 0.000 1.877 28 A HA -0.029 4.296 4.320 0.009 0.000 0.216 28 A C 2.242 179.853 177.584 0.045 0.000 1.186 28 A CA 1.873 53.937 52.037 0.045 0.000 0.620 28 A CB -1.085 17.939 19.000 0.039 0.000 0.822 28 A HN 0.415 nan 8.150 nan 0.000 0.443 29 V N -0.046 119.889 119.914 0.036 0.000 2.282 29 V HA -0.320 3.805 4.120 0.009 0.000 0.249 29 V C 3.078 179.191 176.094 0.032 0.000 1.057 29 V CA 2.204 64.523 62.300 0.032 0.000 1.032 29 V CB -1.348 30.490 31.823 0.026 0.000 0.645 29 V HN 0.642 nan 8.190 nan 0.000 0.447 30 A N -0.531 122.307 122.820 0.030 0.000 1.908 30 A HA -0.181 4.144 4.320 0.009 0.000 0.218 30 A C 2.239 179.846 177.584 0.038 0.000 1.181 30 A CA 1.955 54.009 52.037 0.029 0.000 0.627 30 A CB -0.566 18.449 19.000 0.025 0.000 0.818 30 A HN 0.504 nan 8.150 nan 0.000 0.445 31 L N -0.827 120.428 121.223 0.053 0.000 2.017 31 L HA -0.204 4.141 4.340 0.009 0.000 0.208 31 L C 2.640 179.550 176.870 0.067 0.000 1.073 31 L CA 1.298 56.183 54.840 0.075 0.000 0.745 31 L CB -0.523 41.602 42.059 0.109 0.000 0.894 31 L HN 0.391 nan 8.230 nan 0.000 0.432 32 L N -0.608 120.651 121.223 0.061 0.000 2.046 32 L HA -0.251 4.095 4.340 0.009 0.000 0.208 32 L C 2.268 179.158 176.870 0.033 0.000 1.077 32 L CA 1.166 56.036 54.840 0.051 0.000 0.747 32 L CB -0.606 41.481 42.059 0.047 0.000 0.896 32 L HN 0.286 nan 8.230 nan 0.000 0.432 33 D N 0.037 120.453 120.400 0.028 0.000 2.117 33 D HA -0.197 4.448 4.640 0.009 0.000 0.197 33 D C 1.989 178.297 176.300 0.013 0.000 0.987 33 D CA 1.427 55.438 54.000 0.018 0.000 0.829 33 D CB -0.114 40.696 40.800 0.016 0.000 0.961 33 D HN 0.557 nan 8.370 nan 0.000 0.460 34 E N -0.398 119.811 120.200 0.014 0.000 2.418 34 E HA 0.041 4.396 4.350 0.009 0.000 0.197 34 E C 1.142 177.738 176.600 -0.006 0.000 1.026 34 E CA 0.844 57.247 56.400 0.005 0.000 0.862 34 E CB 0.040 29.745 29.700 0.008 0.000 0.799 34 E HN 0.231 nan 8.360 nan 0.000 0.518 35 G N 0.670 109.469 108.800 -0.002 0.000 2.175 35 G HA2 -0.214 3.751 3.960 0.009 0.000 0.182 35 G HA3 -0.214 3.751 3.960 0.009 0.000 0.182 35 G C 0.087 174.971 174.900 -0.028 0.000 1.003 35 G CA -0.022 45.069 45.100 -0.014 0.000 0.666 35 G HN 0.209 nan 8.290 nan 0.000 0.506 36 S N 1.664 117.358 115.700 -0.009 0.000 2.531 36 S HA 0.539 5.014 4.470 0.009 0.000 0.279 36 S C 0.994 175.643 174.600 0.083 0.000 1.305 36 S CA 0.506 58.710 58.200 0.006 0.000 1.058 36 S CB 1.057 64.331 63.200 0.123 0.000 0.899 36 S HN 1.111 nan 8.310 nan 0.000 0.493 37 T N 0.552 115.171 114.554 0.108 0.000 2.828 37 T HA 0.260 4.616 4.350 0.009 0.000 0.290 37 T C 1.489 176.291 174.700 0.170 0.000 1.019 37 T CA -0.862 61.307 62.100 0.115 0.000 1.031 37 T CB 0.570 69.486 68.868 0.078 0.000 1.001 37 T HN 0.198 nan 8.240 nan 0.000 0.531 38 V N 2.837 122.811 119.914 0.099 0.000 2.255 38 V HA -0.065 4.060 4.120 0.009 0.000 0.247 38 V C -0.456 175.701 176.094 0.105 0.000 1.051 38 V CA 1.832 64.186 62.300 0.090 0.000 1.018 38 V CB -1.564 30.288 31.823 0.049 0.000 0.641 38 V HN 0.787 nan 8.190 nan 0.000 0.445 39 P HA -0.206 nan 4.420 nan 0.000 0.215 39 P C 1.724 179.204 177.300 0.299 0.000 1.153 39 P CA 1.593 64.739 63.100 0.077 0.000 0.853 39 P CB -0.160 31.433 31.700 -0.178 0.000 0.788 40 F N 0.060 120.181 119.950 0.284 0.000 2.095 40 F HA -0.189 4.343 4.527 0.009 0.000 0.298 40 F C 2.044 178.001 175.800 0.262 0.000 1.104 40 F CA 1.546 59.815 58.000 0.448 0.000 1.232 40 F CB -0.645 38.574 39.000 0.365 0.000 0.987 40 F HN -0.239 nan 8.300 nan 0.000 0.475 41 I N 0.113 120.838 120.570 0.258 0.000 2.252 41 I HA -0.268 3.907 4.170 0.009 0.000 0.245 41 I C 2.702 178.811 176.117 -0.014 0.000 1.102 41 I CA 1.090 62.457 61.300 0.111 0.000 1.385 41 I CB -0.926 37.170 38.000 0.161 0.000 1.064 41 I HN 0.234 nan 8.210 nan 0.000 0.414 42 A N 0.548 123.371 122.820 0.005 0.000 1.940 42 A HA -0.247 4.078 4.320 0.009 0.000 0.219 42 A C 2.465 179.974 177.584 -0.125 0.000 1.176 42 A CA 1.895 53.911 52.037 -0.034 0.000 0.631 42 A CB -0.536 18.462 19.000 -0.003 0.000 0.814 42 A HN 0.378 nan 8.150 nan 0.000 0.446 43 R N -2.783 117.573 120.500 -0.240 0.000 2.146 43 R HA 0.094 4.439 4.340 0.009 0.000 0.206 43 R C 0.747 176.633 176.300 -0.691 0.000 1.049 43 R CA 0.787 56.574 56.100 -0.523 0.000 1.029 43 R CB 0.098 29.922 30.300 -0.795 0.000 0.949 43 R HN 0.611 nan 8.270 nan 0.000 0.471 44 Y N -1.261 118.808 120.300 -0.385 0.000 2.557 44 Y HA 0.378 4.933 4.550 0.008 0.000 0.247 44 Y C 0.502 176.187 175.900 -0.357 0.000 1.164 44 Y CA -0.564 57.248 58.100 -0.479 0.000 1.218 44 Y CB 1.122 39.042 38.460 -0.899 0.000 1.210 44 Y HN -0.223 nan 8.280 nan 0.000 0.529 45 R N 0.136 120.550 120.500 -0.144 0.000 2.637 45 R HA 0.206 4.551 4.340 0.009 0.000 0.446 45 R C 0.672 176.965 176.300 -0.013 0.000 1.024 45 R CA -0.186 55.893 56.100 -0.035 0.000 1.080 45 R CB 0.221 30.531 30.300 0.016 0.000 1.421 45 R HN 0.331 nan 8.270 nan 0.000 0.593 46 K N 0.697 121.081 120.400 -0.026 0.000 2.103 46 K HA -0.167 4.158 4.320 0.009 0.000 0.207 46 K C 1.076 177.679 176.600 0.005 0.000 1.048 46 K CA 1.550 57.828 56.287 -0.015 0.000 0.930 46 K CB 0.305 32.791 32.500 -0.024 0.000 0.716 46 K HN 0.080 nan 8.250 nan 0.000 0.444 47 E N 0.574 120.785 120.200 0.018 0.000 2.047 47 E HA -0.133 4.222 4.350 0.009 0.000 0.191 47 E C 1.999 178.607 176.600 0.013 0.000 0.987 47 E CA 0.960 57.371 56.400 0.019 0.000 0.799 47 E CB -0.167 29.550 29.700 0.028 0.000 0.752 47 E HN -0.021 nan 8.360 nan 0.000 0.449 48 V N 0.802 120.726 119.914 0.016 0.000 2.490 48 V HA -0.223 3.902 4.120 0.009 0.000 0.250 48 V C 2.305 178.410 176.094 0.018 0.000 1.061 48 V CA 2.107 64.416 62.300 0.017 0.000 1.064 48 V CB -0.767 31.072 31.823 0.028 0.000 0.670 48 V HN 0.538 nan 8.190 nan 0.000 0.461 49 T N -3.340 111.224 114.554 0.017 0.000 3.023 49 T HA 0.347 4.702 4.350 0.009 0.000 0.253 49 T C 1.388 176.095 174.700 0.011 0.000 1.038 49 T CA 0.757 62.868 62.100 0.017 0.000 0.962 49 T CB 0.726 69.606 68.868 0.020 0.000 1.018 49 T HN 0.979 nan 8.240 nan 0.000 0.521 50 G N 1.159 109.964 108.800 0.008 0.000 2.182 50 G HA2 -0.220 3.745 3.960 0.009 0.000 0.248 50 G HA3 -0.220 3.745 3.960 0.009 0.000 0.248 50 G C 0.430 175.332 174.900 0.002 0.000 1.042 50 G CA 0.070 45.173 45.100 0.005 0.000 0.775 50 G HN 1.314 nan 8.290 nan 0.000 0.501 51 S N -1.920 113.780 115.700 -0.000 0.000 3.748 51 S HA -0.189 4.286 4.470 0.009 0.000 0.329 51 S C 0.827 175.424 174.600 -0.006 0.000 1.104 51 S CA 0.850 59.045 58.200 -0.007 0.000 0.954 51 S CB -1.487 61.708 63.200 -0.008 0.000 0.910 51 S HN 1.118 nan 8.310 nan 0.000 0.494 52 L N 1.990 123.213 121.223 0.000 0.000 2.525 52 L HA 0.136 4.481 4.340 0.009 0.000 0.278 52 L C 1.083 177.953 176.870 -0.000 0.000 1.218 52 L CA 0.094 54.936 54.840 0.003 0.000 0.878 52 L CB 0.202 42.268 42.059 0.011 0.000 1.127 52 L HN 0.412 nan 8.230 nan 0.000 0.492 53 D N 0.851 121.251 120.400 0.000 0.000 2.529 53 D HA 0.082 4.727 4.640 0.009 0.000 0.273 53 D C 0.456 176.762 176.300 0.010 0.000 1.197 53 D CA -0.603 53.397 54.000 -0.000 0.000 1.070 53 D CB 0.578 41.377 40.800 -0.002 0.000 1.134 53 D HN 0.338 nan 8.370 nan 0.000 0.590 54 D N -0.485 119.923 120.400 0.014 0.000 2.127 54 D HA -0.162 4.484 4.640 0.009 0.000 0.190 54 D C 1.931 178.244 176.300 0.022 0.000 1.000 54 D CA 2.433 56.447 54.000 0.024 0.000 0.839 54 D CB -0.707 40.113 40.800 0.034 0.000 0.955 54 D HN 0.538 nan 8.370 nan 0.000 0.446 55 T N 0.729 115.292 114.554 0.015 0.000 2.684 55 T HA -0.195 4.160 4.350 0.009 0.000 0.267 55 T C 1.992 176.696 174.700 0.008 0.000 1.036 55 T CA 1.347 63.452 62.100 0.008 0.000 1.148 55 T CB -0.303 68.562 68.868 -0.005 0.000 0.863 55 T HN 0.261 nan 8.240 nan 0.000 0.436 56 Q N 0.150 119.954 119.800 0.007 0.000 2.084 56 Q HA -0.010 4.335 4.340 0.009 0.000 0.202 56 Q C 2.367 178.376 176.000 0.015 0.000 0.978 56 Q CA 1.164 56.972 55.803 0.008 0.000 0.844 56 Q CB -0.316 28.426 28.738 0.007 0.000 0.898 56 Q HN 0.474 nan 8.270 nan 0.000 0.426 57 L N -0.174 121.061 121.223 0.019 0.000 2.131 57 L HA -0.127 4.218 4.340 0.009 0.000 0.206 57 L C 2.444 179.331 176.870 0.028 0.000 1.087 57 L CA 0.587 55.443 54.840 0.027 0.000 0.767 57 L CB -0.227 41.853 42.059 0.034 0.000 0.917 57 L HN 0.096 nan 8.230 nan 0.000 0.441 58 R N -0.223 120.292 120.500 0.025 0.000 2.083 58 R HA -0.190 4.155 4.340 0.009 0.000 0.237 58 R C 2.149 178.462 176.300 0.022 0.000 1.137 58 R CA 1.689 57.804 56.100 0.025 0.000 0.951 58 R CB -0.836 29.479 30.300 0.025 0.000 0.851 58 R HN 0.389 nan 8.270 nan 0.000 0.434 59 M N 0.575 120.185 119.600 0.016 0.000 2.117 59 M HA -0.158 4.327 4.480 0.009 0.000 0.262 59 M C 2.269 178.579 176.300 0.017 0.000 1.065 59 M CA 1.481 56.788 55.300 0.011 0.000 1.114 59 M CB -0.164 32.438 32.600 0.003 0.000 1.361 59 M HN 0.172 nan 8.290 nan 0.000 0.408 60 L N 0.188 121.423 121.223 0.020 0.000 2.012 60 L HA -0.280 4.065 4.340 0.009 0.000 0.210 60 L C 2.264 179.153 176.870 0.033 0.000 1.073 60 L CA 2.049 56.904 54.840 0.026 0.000 0.748 60 L CB -0.504 41.571 42.059 0.026 0.000 0.891 60 L HN 0.440 nan 8.230 nan 0.000 0.431 61 E N -0.425 119.795 120.200 0.033 0.000 2.070 61 E HA -0.312 4.043 4.350 0.009 0.000 0.197 61 E C 2.025 178.650 176.600 0.041 0.000 1.004 61 E CA 1.834 58.256 56.400 0.036 0.000 0.805 61 E CB 0.041 29.761 29.700 0.034 0.000 0.744 61 E HN 0.482 nan 8.360 nan 0.000 0.451 62 E N -0.067 120.156 120.200 0.038 0.000 2.072 62 E HA -0.124 4.231 4.350 0.009 0.000 0.191 62 E C 2.048 178.688 176.600 0.067 0.000 0.985 62 E CA 0.921 57.347 56.400 0.045 0.000 0.801 62 E CB 0.062 29.778 29.700 0.027 0.000 0.750 62 E HN 0.077 nan 8.360 nan 0.000 0.452 63 R N -0.062 120.471 120.500 0.054 0.000 2.148 63 R HA -0.033 4.312 4.340 0.009 0.000 0.223 63 R C 2.268 178.635 176.300 0.110 0.000 1.088 63 R CA 0.405 56.552 56.100 0.078 0.000 0.985 63 R CB -0.811 29.514 30.300 0.042 0.000 0.880 63 R HN 0.217 nan 8.270 nan 0.000 0.451 64 L N 1.417 122.684 121.223 0.075 0.000 2.046 64 L HA -0.105 4.240 4.340 0.009 0.000 0.208 64 L C 2.564 179.472 176.870 0.064 0.000 1.077 64 L CA 1.755 56.632 54.840 0.062 0.000 0.747 64 L CB -0.438 41.647 42.059 0.044 0.000 0.896 64 L HN 0.028 nan 8.230 nan 0.000 0.432 65 R N -1.810 118.734 120.500 0.073 0.000 2.070 65 R HA -0.256 4.089 4.340 0.009 0.000 0.233 65 R C 2.445 178.791 176.300 0.075 0.000 1.137 65 R CA 1.986 58.123 56.100 0.063 0.000 0.945 65 R CB -0.840 29.499 30.300 0.065 0.000 0.845 65 R HN 0.471 nan 8.270 nan 0.000 0.430 66 Y N 1.395 121.698 120.300 0.005 0.000 2.081 66 Y HA -0.248 4.307 4.550 0.009 0.000 0.280 66 Y C 2.028 177.930 175.900 0.003 0.000 1.163 66 Y CA 2.074 60.177 58.100 0.004 0.000 1.135 66 Y CB -0.348 38.115 38.460 0.005 0.000 0.970 66 Y HN 0.074 nan 8.280 nan 0.000 0.498 67 L N -0.328 120.973 121.223 0.130 0.000 2.093 67 L HA -0.212 4.133 4.340 0.009 0.000 0.208 67 L C 2.616 179.453 176.870 -0.054 0.000 1.085 67 L CA 1.377 56.240 54.840 0.039 0.000 0.755 67 L CB -0.503 41.620 42.059 0.107 0.000 0.904 67 L HN 0.199 nan 8.230 nan 0.000 0.435 68 R N 0.093 120.573 120.500 -0.034 0.000 2.081 68 R HA -0.171 4.174 4.340 0.009 0.000 0.235 68 R C 2.169 178.416 176.300 -0.088 0.000 1.131 68 R CA 1.451 57.524 56.100 -0.046 0.000 0.960 68 R CB -0.227 30.061 30.300 -0.020 0.000 0.856 68 R HN 0.451 nan 8.270 nan 0.000 0.436 69 E N 0.637 120.760 120.200 -0.129 0.000 2.051 69 E HA -0.223 4.132 4.350 0.009 0.000 0.192 69 E C 1.955 178.432 176.600 -0.205 0.000 0.991 69 E CA 1.098 57.402 56.400 -0.160 0.000 0.799 69 E CB -0.167 29.422 29.700 -0.185 0.000 0.748 69 E HN 0.104 nan 8.360 nan 0.000 0.449 70 L N 1.576 122.614 121.223 -0.308 0.000 2.012 70 L HA -0.223 4.122 4.340 0.009 0.000 0.210 70 L C 2.058 178.843 176.870 -0.142 0.000 1.073 70 L CA 1.866 56.547 54.840 -0.264 0.000 0.748 70 L CB -0.250 41.628 42.059 -0.302 0.000 0.891 70 L HN -0.010 nan 8.230 nan 0.000 0.431 71 E N -0.178 119.958 120.200 -0.108 0.000 2.051 71 E HA -0.193 4.162 4.350 0.009 0.000 0.192 71 E C 2.147 178.704 176.600 -0.072 0.000 0.991 71 E CA 1.187 57.545 56.400 -0.070 0.000 0.799 71 E CB -0.315 29.357 29.700 -0.048 0.000 0.748 71 E HN 0.571 nan 8.360 nan 0.000 0.449 72 E N 0.586 120.741 120.200 -0.076 0.000 2.058 72 E HA -0.215 4.141 4.350 0.009 0.000 0.194 72 E C 2.178 178.728 176.600 -0.083 0.000 0.997 72 E CA 1.027 57.385 56.400 -0.070 0.000 0.801 72 E CB -0.228 29.434 29.700 -0.064 0.000 0.746 72 E HN 0.017 nan 8.360 nan 0.000 0.450 73 R N 1.543 121.984 120.500 -0.098 0.000 2.073 73 R HA -0.106 4.239 4.340 0.009 0.000 0.234 73 R C 2.332 178.557 176.300 -0.124 0.000 1.134 73 R CA 1.921 57.954 56.100 -0.112 0.000 0.952 73 R CB -0.502 29.732 30.300 -0.110 0.000 0.850 73 R HN 0.088 nan 8.270 nan 0.000 0.433 74 R N -0.480 119.958 120.500 -0.103 0.000 2.103 74 R HA -0.128 4.218 4.340 0.009 0.000 0.242 74 R C 2.044 178.285 176.300 -0.098 0.000 1.142 74 R CA 2.065 58.110 56.100 -0.092 0.000 0.960 74 R CB -0.984 29.277 30.300 -0.064 0.000 0.858 74 R HN 0.416 nan 8.270 nan 0.000 0.439 75 G N -0.152 108.597 108.800 -0.086 0.000 2.418 75 G HA2 -0.264 3.701 3.960 0.009 0.000 0.217 75 G HA3 -0.264 3.701 3.960 0.009 0.000 0.217 75 G C 1.563 176.403 174.900 -0.099 0.000 1.158 75 G CA 0.791 45.844 45.100 -0.079 0.000 0.771 75 G HN 0.518 nan 8.290 nan 0.000 0.545 76 A N 0.587 123.335 122.820 -0.120 0.000 1.930 76 A HA 0.092 4.418 4.320 0.009 0.000 0.217 76 A C 2.399 179.852 177.584 -0.218 0.000 1.175 76 A CA 1.176 53.129 52.037 -0.140 0.000 0.627 76 A CB -0.325 18.594 19.000 -0.136 0.000 0.815 76 A HN 0.375 nan 8.150 nan 0.000 0.443 77 I N -0.351 120.039 120.570 -0.301 0.000 2.179 77 I HA -0.276 3.899 4.170 0.009 0.000 0.242 77 I C 2.390 178.368 176.117 -0.233 0.000 1.088 77 I CA 1.214 62.241 61.300 -0.455 0.000 1.357 77 I CB -0.332 37.415 38.000 -0.422 0.000 1.051 77 I HN 0.299 nan 8.210 nan 0.000 0.409 78 L N 0.405 121.540 121.223 -0.146 0.000 2.042 78 L HA -0.242 4.104 4.340 0.009 0.000 0.210 78 L C 2.819 179.640 176.870 -0.082 0.000 1.076 78 L CA 1.519 56.301 54.840 -0.097 0.000 0.749 78 L CB -0.785 41.231 42.059 -0.073 0.000 0.893 78 L HN 0.257 nan 8.230 nan 0.000 0.432 79 A N -0.992 121.780 122.820 -0.080 0.000 1.902 79 A HA -0.236 4.090 4.320 0.009 0.000 0.217 79 A C 2.548 180.112 177.584 -0.034 0.000 1.181 79 A CA 2.047 54.053 52.037 -0.053 0.000 0.623 79 A CB -0.721 18.250 19.000 -0.049 0.000 0.818 79 A HN 0.390 nan 8.150 nan 0.000 0.443 80 S N -0.416 115.261 115.700 -0.038 0.000 2.368 80 S HA -0.099 4.376 4.470 0.009 0.000 0.224 80 S C 1.917 176.560 174.600 0.070 0.000 1.029 80 S CA 1.399 59.624 58.200 0.042 0.000 0.988 80 S CB -0.506 62.749 63.200 0.091 0.000 0.838 80 S HN 0.481 nan 8.310 nan 0.000 0.462 81 I N 1.406 121.986 120.570 0.016 0.000 2.252 81 I HA -0.087 4.088 4.170 0.009 0.000 0.245 81 I C 2.851 178.914 176.117 -0.090 0.000 1.102 81 I CA 1.331 62.573 61.300 -0.096 0.000 1.385 81 I CB -0.456 37.389 38.000 -0.258 0.000 1.064 81 I HN 0.399 nan 8.210 nan 0.000 0.414 82 E N 1.657 121.820 120.200 -0.063 0.000 2.077 82 E HA -0.263 4.093 4.350 0.009 0.000 0.193 82 E C 1.851 178.441 176.600 -0.017 0.000 0.989 82 E CA 1.591 57.965 56.400 -0.043 0.000 0.800 82 E CB 0.010 29.688 29.700 -0.036 0.000 0.746 82 E HN 0.513 nan 8.360 nan 0.000 0.452 83 E N -0.025 120.173 120.200 -0.002 0.000 2.204 83 E HA -0.156 4.199 4.350 0.009 0.000 0.195 83 E C 1.751 178.367 176.600 0.027 0.000 0.990 83 E CA 0.857 57.266 56.400 0.014 0.000 0.821 83 E CB 0.042 29.755 29.700 0.022 0.000 0.750 83 E HN 0.352 nan 8.360 nan 0.000 0.477 84 Q N -0.759 119.062 119.800 0.035 0.000 2.320 84 Q HA 0.141 4.486 4.340 0.009 0.000 0.201 84 Q C 0.643 176.669 176.000 0.044 0.000 0.910 84 Q CA 0.298 56.135 55.803 0.056 0.000 0.946 84 Q CB 0.953 29.755 28.738 0.107 0.000 1.062 84 Q HN 0.306 nan 8.270 nan 0.000 0.503 85 G N 1.842 110.653 108.800 0.018 0.000 2.249 85 G HA2 -0.266 3.699 3.960 0.009 0.000 0.273 85 G HA3 -0.266 3.699 3.960 0.009 0.000 0.273 85 G C 0.560 175.468 174.900 0.014 0.000 1.036 85 G CA 0.337 45.446 45.100 0.014 0.000 0.824 85 G HN 0.142 nan 8.290 nan 0.000 0.504 86 K N -1.053 119.335 120.400 -0.020 0.000 2.447 86 K HA 0.257 4.582 4.320 0.009 0.000 0.205 86 K C 0.667 177.195 176.600 -0.120 0.000 1.059 86 K CA -0.481 55.785 56.287 -0.035 0.000 1.065 86 K CB 0.645 33.142 32.500 -0.006 0.000 0.885 86 K HN 0.352 nan 8.250 nan 0.000 0.545 87 L N 3.452 124.615 121.223 -0.100 0.000 2.399 87 L HA 0.097 4.442 4.340 0.009 0.000 0.257 87 L C 0.221 177.062 176.870 -0.048 0.000 1.236 87 L CA 0.121 54.901 54.840 -0.099 0.000 1.144 87 L CB -0.454 41.553 42.059 -0.086 0.000 1.379 87 L HN 0.148 nan 8.230 nan 0.000 0.414 88 T N 1.426 115.961 114.554 -0.032 0.000 2.856 88 T HA 0.232 4.587 4.350 0.009 0.000 0.306 88 T C -1.440 173.254 174.700 -0.010 0.000 1.062 88 T CA -1.078 61.018 62.100 -0.007 0.000 1.083 88 T CB 0.559 69.435 68.868 0.013 0.000 0.984 88 T HN 0.411 nan 8.240 nan 0.000 0.542 89 P HA -0.108 nan 4.420 nan 0.000 0.216 89 P C 1.066 178.366 177.300 0.001 0.000 1.150 89 P CA 1.193 64.291 63.100 -0.003 0.000 0.837 89 P CB 0.151 31.852 31.700 0.000 0.000 0.786 90 E N -0.006 120.198 120.200 0.007 0.000 2.051 90 E HA -0.153 4.202 4.350 0.009 0.000 0.192 90 E C 2.036 178.645 176.600 0.015 0.000 0.991 90 E CA 0.796 57.203 56.400 0.012 0.000 0.799 90 E CB -1.320 28.391 29.700 0.018 0.000 0.748 90 E HN 0.135 nan 8.360 nan 0.000 0.449 91 L N 0.435 121.667 121.223 0.016 0.000 2.093 91 L HA -0.004 4.342 4.340 0.009 0.000 0.208 91 L C 2.022 178.893 176.870 0.002 0.000 1.085 91 L CA 1.929 56.781 54.840 0.019 0.000 0.755 91 L CB -0.838 41.228 42.059 0.012 0.000 0.904 91 L HN 0.110 nan 8.230 nan 0.000 0.435 92 A N -0.211 122.602 122.820 -0.012 0.000 1.940 92 A HA -0.267 4.058 4.320 0.009 0.000 0.219 92 A C 2.560 180.140 177.584 -0.006 0.000 1.176 92 A CA 1.899 53.926 52.037 -0.017 0.000 0.631 92 A CB -0.662 18.326 19.000 -0.020 0.000 0.814 92 A HN 0.538 nan 8.150 nan 0.000 0.446 93 R N -0.499 120.001 120.500 -0.000 0.000 2.075 93 R HA -0.146 4.199 4.340 0.009 0.000 0.232 93 R C 1.472 177.777 176.300 0.009 0.000 1.126 93 R CA 1.669 57.771 56.100 0.003 0.000 0.963 93 R CB -0.342 29.961 30.300 0.005 0.000 0.858 93 R HN 0.423 nan 8.270 nan 0.000 0.435 94 D N 0.572 120.981 120.400 0.015 0.000 2.123 94 D HA -0.175 4.470 4.640 0.009 0.000 0.196 94 D C 1.894 178.209 176.300 0.024 0.000 0.992 94 D CA 1.359 55.373 54.000 0.023 0.000 0.833 94 D CB -0.091 40.730 40.800 0.035 0.000 0.954 94 D HN 0.354 nan 8.370 nan 0.000 0.455 95 I N 0.599 121.180 120.570 0.018 0.000 2.353 95 I HA -0.202 3.973 4.170 0.009 0.000 0.248 95 I C 2.445 178.564 176.117 0.004 0.000 1.119 95 I CA 0.750 62.058 61.300 0.013 0.000 1.417 95 I CB -0.087 37.913 38.000 -0.001 0.000 1.078 95 I HN -0.056 nan 8.210 nan 0.000 0.421 96 K N 1.437 121.837 120.400 0.001 0.000 2.057 96 K HA -0.151 4.174 4.320 0.009 0.000 0.207 96 K C 1.990 178.594 176.600 0.006 0.000 1.049 96 K CA 1.400 57.686 56.287 -0.001 0.000 0.931 96 K CB -0.016 32.482 32.500 -0.002 0.000 0.714 96 K HN 0.295 nan 8.250 nan 0.000 0.440 97 L N 0.984 122.213 121.223 0.011 0.000 2.492 97 L HA 0.121 4.466 4.340 0.009 0.000 0.223 97 L C 0.711 177.594 176.870 0.022 0.000 1.132 97 L CA -0.322 54.527 54.840 0.015 0.000 0.850 97 L CB -0.181 41.887 42.059 0.015 0.000 0.966 97 L HN 0.109 nan 8.230 nan 0.000 0.454 98 A N 0.483 123.318 122.820 0.024 0.000 2.561 98 A HA -0.070 4.255 4.320 0.009 0.000 0.251 98 A C 0.618 178.224 177.584 0.038 0.000 1.062 98 A CA 0.204 52.260 52.037 0.032 0.000 0.761 98 A CB -0.041 18.978 19.000 0.032 0.000 0.986 98 A HN 0.182 nan 8.150 nan 0.000 0.510 99 D N 0.537 120.967 120.400 0.050 0.000 2.366 99 D HA 0.076 4.721 4.640 0.009 0.000 0.205 99 D C 0.839 177.203 176.300 0.106 0.000 1.022 99 D CA 1.585 55.625 54.000 0.066 0.000 0.868 99 D CB 0.457 41.290 40.800 0.054 0.000 0.953 99 D HN 0.747 nan 8.370 nan 0.000 0.514 100 T N -3.040 111.575 114.554 0.103 0.000 2.906 100 T HA 0.366 4.722 4.350 0.009 0.000 0.295 100 T C 0.941 175.710 174.700 0.114 0.000 1.075 100 T CA -0.777 61.416 62.100 0.154 0.000 1.005 100 T CB 2.710 71.655 68.868 0.130 0.000 1.136 100 T HN -0.313 nan 8.240 nan 0.000 0.498 101 K N 0.480 120.961 120.400 0.135 0.000 2.103 101 K HA -0.110 4.215 4.320 0.009 0.000 0.207 101 K C 2.228 178.876 176.600 0.080 0.000 1.048 101 K CA 1.883 58.206 56.287 0.059 0.000 0.930 101 K CB -0.586 31.939 32.500 0.042 0.000 0.716 101 K HN 0.651 nan 8.250 nan 0.000 0.444 102 T N 0.858 115.473 114.554 0.102 0.000 2.708 102 T HA -0.170 4.185 4.350 0.009 0.000 0.266 102 T C 1.839 176.593 174.700 0.091 0.000 1.037 102 T CA 1.638 63.797 62.100 0.097 0.000 1.146 102 T CB -0.169 68.754 68.868 0.091 0.000 0.865 102 T HN 0.169 nan 8.240 nan 0.000 0.435 103 R N 1.021 121.569 120.500 0.080 0.000 2.096 103 R HA 0.032 4.377 4.340 0.009 0.000 0.235 103 R C 2.148 178.495 176.300 0.079 0.000 1.127 103 R CA 1.155 57.298 56.100 0.072 0.000 0.968 103 R CB -1.167 29.169 30.300 0.060 0.000 0.861 103 R HN 0.302 nan 8.270 nan 0.000 0.440 104 L N 0.946 122.212 121.223 0.072 0.000 2.017 104 L HA -0.109 4.237 4.340 0.009 0.000 0.208 104 L C 1.824 178.763 176.870 0.114 0.000 1.073 104 L CA 1.964 56.844 54.840 0.067 0.000 0.745 104 L CB -0.594 41.481 42.059 0.027 0.000 0.894 104 L HN 0.227 nan 8.230 nan 0.000 0.432 105 E N -0.506 119.768 120.200 0.123 0.000 2.107 105 E HA -0.177 4.178 4.350 0.009 0.000 0.191 105 E C 1.883 178.600 176.600 0.194 0.000 0.982 105 E CA 1.045 57.552 56.400 0.178 0.000 0.809 105 E CB -0.351 29.436 29.700 0.145 0.000 0.756 105 E HN 0.517 nan 8.360 nan 0.000 0.459 106 D N 1.144 121.636 120.400 0.152 0.000 2.126 106 D HA -0.183 4.462 4.640 0.009 0.000 0.190 106 D C 2.157 178.545 176.300 0.148 0.000 1.001 106 D CA 0.979 55.059 54.000 0.134 0.000 0.841 106 D CB -0.431 40.425 40.800 0.094 0.000 0.949 106 D HN 0.150 nan 8.370 nan 0.000 0.446 107 L N -0.667 120.654 121.223 0.164 0.000 2.191 107 L HA -0.189 4.156 4.340 0.009 0.000 0.212 107 L C 2.278 179.343 176.870 0.325 0.000 1.103 107 L CA 0.730 55.691 54.840 0.201 0.000 0.769 107 L CB -0.306 41.850 42.059 0.161 0.000 0.908 107 L HN 0.098 nan 8.230 nan 0.000 0.438 108 Y N 0.151 120.551 120.300 0.167 0.000 2.475 108 Y HA -0.040 4.515 4.550 0.009 0.000 0.289 108 Y C 2.110 178.131 175.900 0.202 0.000 1.121 108 Y CA 0.373 58.605 58.100 0.220 0.000 1.257 108 Y CB -0.111 38.426 38.460 0.127 0.000 1.026 108 Y HN 0.003 nan 8.280 nan 0.000 0.555 109 L N 0.628 121.865 121.223 0.022 0.000 2.010 109 L HA -0.264 4.081 4.340 0.009 0.000 0.219 109 L C -0.348 176.360 176.870 -0.270 0.000 1.077 109 L CA 2.052 56.824 54.840 -0.112 0.000 0.773 109 L CB -1.838 40.221 42.059 0.001 0.000 0.892 109 L HN 0.170 nan 8.230 nan 0.000 0.436 110 P HA -0.159 nan 4.420 nan 0.000 0.225 110 P C 0.540 177.392 177.300 -0.746 0.000 1.148 110 P CA 1.470 64.215 63.100 -0.591 0.000 0.779 110 P CB -0.049 31.160 31.700 -0.819 0.000 0.780 111 Y N -1.704 118.427 120.300 -0.282 0.000 2.481 111 Y HA 0.262 4.817 4.550 0.008 0.000 0.247 111 Y C 1.216 176.815 175.900 -0.501 0.000 1.151 111 Y CA -0.612 57.317 58.100 -0.285 0.000 1.238 111 Y CB -0.015 38.376 38.460 -0.114 0.000 1.179 111 Y HN -0.226 nan 8.280 nan 0.000 0.524 112 K N 1.829 121.838 120.400 -0.651 0.000 2.355 112 K HA -0.005 4.320 4.320 0.009 0.000 0.270 112 K C 0.361 176.861 176.600 -0.165 0.000 1.003 112 K CA -0.370 55.608 56.287 -0.514 0.000 0.957 112 K CB 0.512 32.779 32.500 -0.388 0.000 0.939 112 K HN -0.020 nan 8.250 nan 0.000 0.482 113 Q N 2.691 122.467 119.800 -0.040 0.000 2.310 113 Q HA -0.088 4.258 4.340 0.009 0.000 0.315 113 Q C -1.218 174.762 176.000 -0.032 0.000 1.081 113 Q CA 1.271 57.070 55.803 -0.007 0.000 0.981 113 Q CB 0.484 29.238 28.738 0.028 0.000 1.184 113 Q HN 0.327 nan 8.270 nan 0.000 0.389 114 K N 3.687 124.070 120.400 -0.028 0.000 2.159 114 K HA 0.385 4.710 4.320 0.009 0.000 0.266 114 K C -0.304 176.285 176.600 -0.018 0.000 0.975 114 K CA -0.696 55.572 56.287 -0.032 0.000 0.865 114 K CB 1.228 33.706 32.500 -0.037 0.000 1.087 114 K HN 0.608 nan 8.250 nan 0.000 0.446 115 R N 1.329 121.818 120.500 -0.018 0.000 2.707 115 R HA 0.156 4.501 4.340 0.009 0.000 0.270 115 R C 0.093 176.387 176.300 -0.011 0.000 1.083 115 R CA -0.344 55.748 56.100 -0.013 0.000 1.182 115 R CB 0.403 30.694 30.300 -0.015 0.000 1.084 115 R HN 0.348 nan 8.270 nan 0.000 0.528 116 R N 1.319 121.812 120.500 -0.010 0.000 3.247 116 R HA 0.015 4.360 4.340 0.009 0.000 0.212 116 R C 0.129 176.419 176.300 -0.016 0.000 1.604 116 R CA 0.107 56.201 56.100 -0.011 0.000 1.279 116 R CB 0.053 30.345 30.300 -0.012 0.000 1.277 116 R HN 0.449 nan 8.270 nan 0.000 0.669 117 T N -0.306 114.241 114.554 -0.011 0.000 2.936 117 T HA 0.177 4.532 4.350 0.009 0.000 0.282 117 T C 1.364 176.050 174.700 -0.023 0.000 1.003 117 T CA -0.638 61.453 62.100 -0.013 0.000 1.005 117 T CB 1.325 70.200 68.868 0.012 0.000 1.097 117 T HN 0.380 nan 8.240 nan 0.000 0.532 118 K N 1.314 121.666 120.400 -0.079 0.000 2.044 118 K HA -0.112 4.213 4.320 0.009 0.000 0.210 118 K C 2.226 178.832 176.600 0.011 0.000 1.049 118 K CA 1.787 57.992 56.287 -0.138 0.000 0.927 118 K CB -0.733 31.422 32.500 -0.576 0.000 0.713 118 K HN 0.753 nan 8.250 nan 0.000 0.443 119 G N 0.879 109.725 108.800 0.077 0.000 2.442 119 G HA2 -0.314 3.651 3.960 0.009 0.000 0.219 119 G HA3 -0.314 3.651 3.960 0.009 0.000 0.219 119 G C 1.515 176.431 174.900 0.027 0.000 1.141 119 G CA 0.819 45.965 45.100 0.076 0.000 0.763 119 G HN 0.221 nan 8.290 nan 0.000 0.554 120 Q N 0.280 120.093 119.800 0.021 0.000 2.079 120 Q HA 0.074 4.419 4.340 0.009 0.000 0.200 120 Q C 2.509 178.528 176.000 0.031 0.000 0.974 120 Q CA 0.991 56.801 55.803 0.011 0.000 0.840 120 Q CB -0.333 28.407 28.738 0.003 0.000 0.898 120 Q HN 0.583 nan 8.270 nan 0.000 0.430 121 I N -0.026 120.576 120.570 0.053 0.000 2.179 121 I HA -0.303 3.872 4.170 0.009 0.000 0.242 121 I C 2.180 178.408 176.117 0.185 0.000 1.088 121 I CA 1.118 62.481 61.300 0.105 0.000 1.357 121 I CB -0.558 37.496 38.000 0.091 0.000 1.051 121 I HN 0.237 nan 8.210 nan 0.000 0.409 122 A N 0.804 123.728 122.820 0.173 0.000 1.940 122 A HA -0.172 4.153 4.320 0.009 0.000 0.219 122 A C 2.309 179.834 177.584 -0.098 0.000 1.176 122 A CA 1.478 53.507 52.037 -0.013 0.000 0.631 122 A CB -0.854 18.084 19.000 -0.104 0.000 0.814 122 A HN 0.401 nan 8.150 nan 0.000 0.446 123 L N -0.929 120.269 121.223 -0.042 0.000 2.141 123 L HA -0.169 4.176 4.340 0.009 0.000 0.209 123 L C 2.415 179.276 176.870 -0.016 0.000 1.094 123 L CA 1.413 56.224 54.840 -0.049 0.000 0.763 123 L CB -0.367 41.671 42.059 -0.036 0.000 0.908 123 L HN 0.460 nan 8.230 nan 0.000 0.437 124 E N -0.351 119.861 120.200 0.020 0.000 2.347 124 E HA -0.086 4.269 4.350 0.009 0.000 0.196 124 E C 1.879 178.513 176.600 0.057 0.000 1.008 124 E CA 0.700 57.123 56.400 0.038 0.000 0.852 124 E CB 0.042 29.771 29.700 0.048 0.000 0.783 124 E HN 0.453 nan 8.360 nan 0.000 0.505 125 A N 0.071 122.930 122.820 0.065 0.000 2.275 125 A HA 0.321 4.646 4.320 0.009 0.000 0.212 125 A C 1.571 179.168 177.584 0.020 0.000 1.201 125 A CA 0.619 52.703 52.037 0.079 0.000 0.843 125 A CB -0.077 19.018 19.000 0.157 0.000 0.873 125 A HN 0.274 nan 8.150 nan 0.000 0.492 126 G N -0.781 108.014 108.800 -0.008 0.000 2.132 126 G HA2 -0.222 3.743 3.960 0.009 0.000 0.228 126 G HA3 -0.222 3.743 3.960 0.009 0.000 0.228 126 G C 0.557 175.421 174.900 -0.059 0.000 1.000 126 G CA 0.348 45.459 45.100 0.018 0.000 0.693 126 G HN 0.492 nan 8.290 nan 0.000 0.515 127 L N 0.407 121.491 121.223 -0.231 0.000 2.599 127 L HA 0.246 4.591 4.340 0.009 0.000 0.230 127 L C 2.693 179.341 176.870 -0.369 0.000 1.141 127 L CA 0.676 55.239 54.840 -0.462 0.000 0.877 127 L CB -0.344 41.393 42.059 -0.536 0.000 1.009 127 L HN 0.296 nan 8.230 nan 0.000 0.447 128 G N 0.462 109.136 108.800 -0.210 0.000 2.418 128 G HA2 -0.251 3.714 3.960 0.009 0.000 0.217 128 G HA3 -0.251 3.714 3.960 0.009 0.000 0.217 128 G C 1.797 176.612 174.900 -0.143 0.000 1.158 128 G CA 0.837 45.848 45.100 -0.148 0.000 0.771 128 G HN 0.443 nan 8.290 nan 0.000 0.545 129 A N 0.416 123.162 122.820 -0.122 0.000 1.933 129 A HA 0.034 4.359 4.320 0.009 0.000 0.218 129 A C 2.343 179.831 177.584 -0.160 0.000 1.175 129 A CA 1.727 53.736 52.037 -0.047 0.000 0.628 129 A CB -0.402 18.681 19.000 0.138 0.000 0.814 129 A HN 0.465 nan 8.150 nan 0.000 0.444 130 L N -0.322 120.573 121.223 -0.547 0.000 2.027 130 L HA -0.002 4.343 4.340 0.009 0.000 0.206 130 L C 2.633 179.324 176.870 -0.298 0.000 1.074 130 L CA 2.251 56.714 54.840 -0.629 0.000 0.745 130 L CB -0.846 40.502 42.059 -1.185 0.000 0.898 130 L HN 0.313 nan 8.230 nan 0.000 0.433 131 A N -0.874 121.811 122.820 -0.225 0.000 1.933 131 A HA -0.195 4.130 4.320 0.009 0.000 0.218 131 A C 1.988 179.598 177.584 0.044 0.000 1.175 131 A CA 1.784 53.798 52.037 -0.039 0.000 0.628 131 A CB -0.798 18.164 19.000 -0.065 0.000 0.814 131 A HN 0.532 nan 8.150 nan 0.000 0.444 132 D N 0.141 120.541 120.400 -0.000 0.000 2.084 132 D HA -0.054 4.591 4.640 0.009 0.000 0.194 132 D C 2.320 178.697 176.300 0.129 0.000 0.990 132 D CA 1.649 55.694 54.000 0.075 0.000 0.826 132 D CB -0.542 40.278 40.800 0.034 0.000 0.971 132 D HN 0.385 nan 8.370 nan 0.000 0.453 133 A N 0.814 123.670 122.820 0.060 0.000 1.883 133 A HA -0.156 4.170 4.320 0.009 0.000 0.217 133 A C 2.440 180.064 177.584 0.066 0.000 1.186 133 A CA 1.133 53.206 52.037 0.060 0.000 0.624 133 A CB -0.850 18.175 19.000 0.041 0.000 0.822 133 A HN 0.222 nan 8.150 nan 0.000 0.444 134 L N -2.366 118.887 121.223 0.051 0.000 2.056 134 L HA -0.132 4.214 4.340 0.009 0.000 0.207 134 L C 2.520 179.507 176.870 0.196 0.000 1.078 134 L CA 1.603 56.486 54.840 0.071 0.000 0.749 134 L CB -0.588 41.447 42.059 -0.040 0.000 0.901 134 L HN 0.506 nan 8.230 nan 0.000 0.433 135 F N 1.358 121.384 119.950 0.126 0.000 2.146 135 F HA -0.225 4.307 4.527 0.009 0.000 0.298 135 F C 2.138 178.000 175.800 0.104 0.000 1.096 135 F CA 1.671 59.756 58.000 0.142 0.000 1.275 135 F CB -0.111 38.973 39.000 0.140 0.000 1.008 135 F HN 0.097 nan 8.300 nan 0.000 0.480 136 D N -0.610 119.910 120.400 0.199 0.000 2.183 136 D HA -0.074 4.571 4.640 0.009 0.000 0.203 136 D C 0.163 176.459 176.300 -0.005 0.000 0.969 136 D CA 1.216 55.268 54.000 0.087 0.000 0.842 136 D CB -0.176 40.710 40.800 0.144 0.000 0.957 136 D HN 0.243 nan 8.370 nan 0.000 0.484 137 D N -1.241 119.164 120.400 0.008 0.000 2.358 137 D HA 0.181 4.827 4.640 0.009 0.000 0.253 137 D C -2.315 173.983 176.300 -0.005 0.000 1.288 137 D CA -1.924 52.072 54.000 -0.007 0.000 0.950 137 D CB 1.769 42.573 40.800 0.006 0.000 1.197 137 D HN -0.204 nan 8.370 nan 0.000 0.550 138 P HA 0.006 nan 4.420 nan 0.000 0.242 138 P C 1.147 178.450 177.300 0.004 0.000 1.197 138 P CA 0.697 63.800 63.100 0.005 0.000 0.765 138 P CB 0.138 31.832 31.700 -0.009 0.000 0.936 139 T N -3.949 110.602 114.554 -0.005 0.000 3.113 139 T HA 0.082 4.437 4.350 0.009 0.000 0.256 139 T C 0.696 175.391 174.700 -0.009 0.000 1.131 139 T CA 0.092 62.189 62.100 -0.005 0.000 1.074 139 T CB -0.740 68.124 68.868 -0.006 0.000 0.944 139 T HN -0.030 nan 8.240 nan 0.000 0.516 140 L N 2.264 123.480 121.223 -0.012 0.000 2.426 140 L HA 0.314 4.659 4.340 0.009 0.000 0.271 140 L C 0.019 176.864 176.870 -0.041 0.000 1.169 140 L CA -0.842 53.983 54.840 -0.025 0.000 0.836 140 L CB 0.941 42.984 42.059 -0.026 0.000 1.112 140 L HN 0.006 nan 8.230 nan 0.000 0.465 141 V N 5.181 125.066 119.914 -0.049 0.000 2.427 141 V HA 0.065 4.191 4.120 0.009 0.000 0.268 141 V C -1.355 174.667 176.094 -0.120 0.000 1.046 141 V CA -1.053 61.209 62.300 -0.065 0.000 0.970 141 V CB 0.896 32.691 31.823 -0.047 0.000 1.001 141 V HN 0.680 nan 8.190 nan 0.000 0.476 142 P HA -0.168 nan 4.420 nan 0.000 0.214 142 P C 1.428 178.563 177.300 -0.274 0.000 1.169 142 P CA 1.232 64.112 63.100 -0.367 0.000 0.908 142 P CB 0.351 31.734 31.700 -0.528 0.000 0.791 143 E N -0.600 119.489 120.200 -0.184 0.000 2.085 143 E HA -0.142 4.213 4.350 0.009 0.000 0.194 143 E C 2.123 178.678 176.600 -0.076 0.000 0.994 143 E CA 1.725 58.057 56.400 -0.114 0.000 0.801 143 E CB -0.954 28.703 29.700 -0.073 0.000 0.743 143 E HN 0.207 nan 8.360 nan 0.000 0.453 144 S N 0.554 116.213 115.700 -0.067 0.000 2.355 144 S HA -0.124 4.351 4.470 0.009 0.000 0.222 144 S C 1.736 176.318 174.600 -0.030 0.000 1.031 144 S CA 0.840 59.014 58.200 -0.043 0.000 0.993 144 S CB -0.195 62.982 63.200 -0.038 0.000 0.859 144 S HN 0.184 nan 8.310 nan 0.000 0.453 145 E N 1.645 121.822 120.200 -0.038 0.000 2.110 145 E HA -0.066 4.289 4.350 0.009 0.000 0.193 145 E C 2.258 178.929 176.600 0.119 0.000 0.988 145 E CA 1.082 57.494 56.400 0.020 0.000 0.804 145 E CB -0.426 29.259 29.700 -0.024 0.000 0.745 145 E HN 0.496 nan 8.360 nan 0.000 0.458 146 A N 1.082 123.915 122.820 0.023 0.000 2.067 146 A HA -0.021 4.304 4.320 0.009 0.000 0.219 146 A C 2.361 180.027 177.584 0.136 0.000 1.158 146 A CA 1.532 53.611 52.037 0.069 0.000 0.661 146 A CB -0.348 18.598 19.000 -0.091 0.000 0.801 146 A HN 0.253 nan 8.150 nan 0.000 0.452 147 A N 1.288 124.138 122.820 0.049 0.000 1.883 147 A HA -0.211 4.114 4.320 0.009 0.000 0.217 147 A C 2.161 179.728 177.584 -0.029 0.000 1.186 147 A CA 1.697 53.739 52.037 0.008 0.000 0.624 147 A CB -0.555 18.433 19.000 -0.020 0.000 0.822 147 A HN 0.717 nan 8.150 nan 0.000 0.444 148 R N -1.797 118.630 120.500 -0.122 0.000 2.357 148 R HA 0.048 4.393 4.340 0.009 0.000 0.202 148 R C 0.690 176.718 176.300 -0.453 0.000 1.047 148 R CA 1.292 57.207 56.100 -0.310 0.000 1.034 148 R CB -0.487 29.552 30.300 -0.434 0.000 0.875 148 R HN 0.447 nan 8.270 nan 0.000 0.473 149 F N 0.507 120.420 119.950 -0.061 0.000 2.731 149 F HA 0.231 4.764 4.527 0.009 0.000 0.298 149 F C 0.623 176.398 175.800 -0.041 0.000 1.106 149 F CA -0.564 57.394 58.000 -0.070 0.000 1.329 149 F CB 0.521 39.449 39.000 -0.120 0.000 1.100 149 F HN -0.250 nan 8.300 nan 0.000 0.592 150 V N 1.880 121.862 119.914 0.114 0.000 2.599 150 V HA 0.002 4.127 4.120 0.009 0.000 0.300 150 V C -0.311 175.839 176.094 0.092 0.000 1.034 150 V CA 0.575 62.939 62.300 0.106 0.000 1.115 150 V CB 0.512 32.376 31.823 0.068 0.000 0.934 150 V HN 0.137 nan 8.190 nan 0.000 0.485 151 D N 3.487 123.967 120.400 0.134 0.000 2.351 151 D HA 0.398 5.043 4.640 0.009 0.000 0.235 151 D C 0.571 176.940 176.300 0.115 0.000 1.331 151 D CA 0.087 54.151 54.000 0.108 0.000 0.959 151 D CB 1.455 42.321 40.800 0.111 0.000 1.432 151 D HN 0.475 nan 8.370 nan 0.000 0.544 152 A N 2.872 125.732 122.820 0.068 0.000 1.948 152 A HA -0.212 4.113 4.320 0.009 0.000 0.220 152 A C 1.742 179.336 177.584 0.017 0.000 1.177 152 A CA 1.563 53.621 52.037 0.035 0.000 0.636 152 A CB -0.124 18.887 19.000 0.017 0.000 0.815 152 A HN 0.487 nan 8.150 nan 0.000 0.449 153 E N -0.163 120.053 120.200 0.027 0.000 2.150 153 E HA -0.090 4.265 4.350 0.009 0.000 0.193 153 E C 1.646 178.260 176.600 0.023 0.000 0.985 153 E CA 1.223 57.633 56.400 0.017 0.000 0.814 153 E CB -0.119 29.593 29.700 0.019 0.000 0.752 153 E HN 0.651 nan 8.360 nan 0.000 0.466 154 K N -1.170 119.269 120.400 0.065 0.000 2.444 154 K HA 0.192 4.517 4.320 0.009 0.000 0.193 154 K C 0.705 177.333 176.600 0.048 0.000 1.024 154 K CA 0.486 56.835 56.287 0.103 0.000 1.077 154 K CB 0.694 33.305 32.500 0.185 0.000 0.833 154 K HN 0.226 nan 8.250 nan 0.000 0.517 155 G N 0.851 109.602 108.800 -0.081 0.000 2.179 155 G HA2 -0.230 3.735 3.960 0.009 0.000 0.220 155 G HA3 -0.230 3.735 3.960 0.009 0.000 0.220 155 G C -0.194 174.334 174.900 -0.619 0.000 0.990 155 G CA -0.568 44.312 45.100 -0.366 0.000 0.646 155 G HN 0.226 nan 8.290 nan 0.000 0.517 156 F N 0.701 120.653 119.950 0.002 0.000 2.564 156 F HA 0.674 5.206 4.527 0.008 0.000 0.368 156 F C 1.015 176.821 175.800 0.011 0.000 1.127 156 F CA -0.076 57.927 58.000 0.006 0.000 1.170 156 F CB 1.507 40.516 39.000 0.013 0.000 1.397 156 F HN 0.140 nan 8.300 nan 0.000 0.493 157 A N 0.996 123.875 122.820 0.098 0.000 2.238 157 A HA 0.239 4.564 4.320 0.009 0.000 0.210 157 A C 0.096 177.718 177.584 0.064 0.000 1.179 157 A CA 0.530 52.603 52.037 0.061 0.000 0.827 157 A CB -0.300 18.709 19.000 0.015 0.000 0.856 157 A HN 0.617 nan 8.150 nan 0.000 0.488 158 D N -3.986 116.465 120.400 0.086 0.000 2.615 158 D HA 0.270 4.915 4.640 0.009 0.000 0.267 158 D C 0.499 176.842 176.300 0.072 0.000 1.236 158 D CA -0.292 53.747 54.000 0.064 0.000 0.839 158 D CB 0.576 41.401 40.800 0.042 0.000 1.380 158 D HN -0.193 nan 8.370 nan 0.000 0.433 159 V N 0.514 120.453 119.914 0.041 0.000 2.278 159 V HA -0.312 3.813 4.120 0.009 0.000 0.251 159 V C 2.502 178.606 176.094 0.017 0.000 1.062 159 V CA 2.643 64.954 62.300 0.018 0.000 1.038 159 V CB -0.805 31.014 31.823 -0.006 0.000 0.646 159 V HN 0.693 nan 8.190 nan 0.000 0.447 160 K N 0.078 120.496 120.400 0.030 0.000 2.020 160 K HA -0.215 4.110 4.320 0.009 0.000 0.212 160 K C 2.134 178.780 176.600 0.076 0.000 1.050 160 K CA 1.908 58.220 56.287 0.041 0.000 0.929 160 K CB -0.603 31.924 32.500 0.045 0.000 0.714 160 K HN 0.478 nan 8.250 nan 0.000 0.443 161 A N -0.175 122.713 122.820 0.113 0.000 1.930 161 A HA -0.078 4.247 4.320 0.009 0.000 0.217 161 A C 2.262 180.029 177.584 0.306 0.000 1.175 161 A CA 1.521 53.679 52.037 0.201 0.000 0.627 161 A CB -0.608 18.505 19.000 0.188 0.000 0.815 161 A HN 0.130 nan 8.150 nan 0.000 0.443 162 V N 0.293 120.319 119.914 0.188 0.000 2.255 162 V HA -0.301 3.824 4.120 0.009 0.000 0.247 162 V C 2.571 178.613 176.094 -0.086 0.000 1.051 162 V CA 2.165 64.456 62.300 -0.016 0.000 1.018 162 V CB -0.823 30.984 31.823 -0.027 0.000 0.641 162 V HN 0.582 nan 8.190 nan 0.000 0.445 163 L N -0.405 120.791 121.223 -0.045 0.000 2.083 163 L HA -0.191 4.154 4.340 0.009 0.000 0.209 163 L C 2.600 179.567 176.870 0.161 0.000 1.083 163 L CA 1.785 56.600 54.840 -0.041 0.000 0.752 163 L CB -0.533 41.462 42.059 -0.105 0.000 0.899 163 L HN 0.440 nan 8.230 nan 0.000 0.433 164 E N 0.245 120.528 120.200 0.138 0.000 2.077 164 E HA -0.187 4.168 4.350 0.009 0.000 0.193 164 E C 2.181 178.929 176.600 0.246 0.000 0.989 164 E CA 1.125 57.625 56.400 0.166 0.000 0.800 164 E CB -0.142 29.654 29.700 0.160 0.000 0.746 164 E HN 0.464 nan 8.360 nan 0.000 0.452 165 G N 0.824 109.741 108.800 0.195 0.000 2.446 165 G HA2 -0.309 3.657 3.960 0.009 0.000 0.217 165 G HA3 -0.309 3.657 3.960 0.009 0.000 0.217 165 G C 1.650 176.557 174.900 0.012 0.000 1.168 165 G CA 1.117 46.281 45.100 0.107 0.000 0.771 165 G HN 0.419 nan 8.290 nan 0.000 0.551 166 A N 0.618 123.415 122.820 -0.038 0.000 1.933 166 A HA -0.004 4.321 4.320 0.009 0.000 0.218 166 A C 2.208 179.871 177.584 0.132 0.000 1.175 166 A CA 2.148 54.184 52.037 -0.003 0.000 0.628 166 A CB -0.415 18.547 19.000 -0.063 0.000 0.814 166 A HN 0.443 nan 8.150 nan 0.000 0.444 167 K N -1.598 118.924 120.400 0.204 0.000 2.026 167 K HA -0.197 4.128 4.320 0.009 0.000 0.208 167 K C 1.779 178.232 176.600 -0.245 0.000 1.048 167 K CA 1.782 57.983 56.287 -0.145 0.000 0.929 167 K CB -0.404 31.918 32.500 -0.297 0.000 0.713 167 K HN 0.471 nan 8.250 nan 0.000 0.439 168 Y N 1.128 121.356 120.300 -0.120 0.000 2.274 168 Y HA -0.168 4.387 4.550 0.008 0.000 0.290 168 Y C 2.028 177.840 175.900 -0.147 0.000 1.145 168 Y CA 1.406 59.450 58.100 -0.093 0.000 1.203 168 Y CB -0.069 38.385 38.460 -0.010 0.000 0.984 168 Y HN 0.069 nan 8.280 nan 0.000 0.533 169 I N -0.780 119.772 120.570 -0.030 0.000 2.226 169 I HA -0.327 3.848 4.170 0.009 0.000 0.245 169 I C 2.088 178.039 176.117 -0.277 0.000 1.100 169 I CA 1.298 62.526 61.300 -0.120 0.000 1.374 169 I CB -0.446 37.481 38.000 -0.121 0.000 1.057 169 I HN 0.213 nan 8.210 nan 0.000 0.413 170 L N -0.386 120.582 121.223 -0.426 0.000 2.056 170 L HA -0.201 4.144 4.340 0.009 0.000 0.207 170 L C 2.671 178.889 176.870 -1.087 0.000 1.078 170 L CA 1.265 55.582 54.840 -0.872 0.000 0.749 170 L CB -0.401 41.072 42.059 -0.977 0.000 0.901 170 L HN 0.254 nan 8.230 nan 0.000 0.433 171 M N -0.291 118.893 119.600 -0.694 0.000 2.082 171 M HA -0.286 4.199 4.480 0.009 0.000 0.258 171 M C 2.149 178.306 176.300 -0.238 0.000 1.071 171 M CA 2.023 57.059 55.300 -0.440 0.000 1.103 171 M CB -0.447 31.934 32.600 -0.365 0.000 1.307 171 M HN 0.189 nan 8.290 nan 0.000 0.409 172 E N -0.658 119.438 120.200 -0.173 0.000 2.150 172 E HA -0.203 4.152 4.350 0.009 0.000 0.193 172 E C 2.070 178.628 176.600 -0.070 0.000 0.985 172 E CA 0.873 57.230 56.400 -0.071 0.000 0.814 172 E CB -0.195 29.486 29.700 -0.032 0.000 0.752 172 E HN 0.389 nan 8.360 nan 0.000 0.466 173 R N 0.167 120.581 120.500 -0.145 0.000 2.075 173 R HA -0.128 4.217 4.340 0.009 0.000 0.232 173 R C 1.910 178.248 176.300 0.064 0.000 1.126 173 R CA 1.137 57.185 56.100 -0.088 0.000 0.963 173 R CB -0.081 30.112 30.300 -0.178 0.000 0.858 173 R HN 0.088 nan 8.270 nan 0.000 0.435 174 F N 0.665 120.421 119.950 -0.322 0.000 2.134 174 F HA -0.002 4.530 4.527 0.008 0.000 0.299 174 F C 2.401 178.205 175.800 0.006 0.000 1.097 174 F CA 0.922 58.703 58.000 -0.365 0.000 1.264 174 F CB -1.043 37.665 39.000 -0.486 0.000 1.001 174 F HN 0.152 nan 8.300 nan 0.000 0.479 175 A N -0.008 122.923 122.820 0.186 0.000 2.167 175 A HA -0.103 4.222 4.320 0.009 0.000 0.214 175 A C 1.744 179.411 177.584 0.138 0.000 1.151 175 A CA 1.070 53.202 52.037 0.159 0.000 0.735 175 A CB -0.887 18.182 19.000 0.116 0.000 0.802 175 A HN 0.545 nan 8.150 nan 0.000 0.467 176 E N -0.175 120.091 120.200 0.109 0.000 2.476 176 E HA 0.094 4.449 4.350 0.009 0.000 0.196 176 E C -0.500 176.146 176.600 0.077 0.000 1.029 176 E CA -0.235 56.206 56.400 0.068 0.000 0.896 176 E CB -0.301 29.393 29.700 -0.009 0.000 1.012 176 E HN 0.400 nan 8.360 nan 0.000 0.475 177 D N 0.676 121.160 120.400 0.139 0.000 2.339 177 D HA 0.206 4.851 4.640 0.009 0.000 0.256 177 D C 0.965 177.307 176.300 0.069 0.000 1.214 177 D CA 0.224 54.301 54.000 0.128 0.000 0.877 177 D CB 1.450 42.385 40.800 0.225 0.000 1.111 177 D HN 0.159 nan 8.370 nan 0.000 0.478 178 A N 2.993 125.845 122.820 0.054 0.000 1.898 178 A HA -0.125 4.200 4.320 0.009 0.000 0.216 178 A C 2.100 179.694 177.584 0.017 0.000 1.181 178 A CA 1.463 53.527 52.037 0.046 0.000 0.620 178 A CB -0.587 18.454 19.000 0.069 0.000 0.819 178 A HN 0.652 nan 8.150 nan 0.000 0.442 179 T N 0.127 114.678 114.554 -0.006 0.000 2.746 179 T HA -0.129 4.226 4.350 0.009 0.000 0.267 179 T C 1.833 176.502 174.700 -0.051 0.000 1.039 179 T CA 1.546 63.625 62.100 -0.035 0.000 1.142 179 T CB -0.330 68.497 68.868 -0.068 0.000 0.866 179 T HN 0.326 nan 8.240 nan 0.000 0.444 180 L N 0.720 121.904 121.223 -0.065 0.000 2.056 180 L HA 0.127 4.472 4.340 0.009 0.000 0.207 180 L C 2.139 179.001 176.870 -0.014 0.000 1.078 180 L CA 1.420 56.225 54.840 -0.058 0.000 0.749 180 L CB -0.658 41.374 42.059 -0.046 0.000 0.901 180 L HN 0.216 nan 8.230 nan 0.000 0.433 181 L N -0.344 120.877 121.223 -0.003 0.000 1.989 181 L HA -0.268 4.077 4.340 0.009 0.000 0.211 181 L C 2.348 179.208 176.870 -0.017 0.000 1.071 181 L CA 1.880 56.702 54.840 -0.029 0.000 0.749 181 L CB -0.725 41.300 42.059 -0.057 0.000 0.890 181 L HN 0.399 nan 8.230 nan 0.000 0.431 182 D N 0.050 120.448 120.400 -0.003 0.000 2.104 182 D HA -0.272 4.373 4.640 0.009 0.000 0.194 182 D C 2.182 178.495 176.300 0.022 0.000 0.994 182 D CA 1.598 55.604 54.000 0.011 0.000 0.830 182 D CB 0.030 40.838 40.800 0.013 0.000 0.959 182 D HN 0.094 nan 8.370 nan 0.000 0.452 183 K N -0.284 120.122 120.400 0.009 0.000 2.026 183 K HA -0.113 4.212 4.320 0.009 0.000 0.208 183 K C 2.300 178.935 176.600 0.059 0.000 1.048 183 K CA 1.111 57.408 56.287 0.016 0.000 0.929 183 K CB -0.181 32.300 32.500 -0.032 0.000 0.713 183 K HN 0.229 nan 8.250 nan 0.000 0.439 184 L N 0.205 121.454 121.223 0.044 0.000 2.093 184 L HA -0.107 4.238 4.340 0.009 0.000 0.208 184 L C 2.849 179.821 176.870 0.169 0.000 1.085 184 L CA 1.025 55.925 54.840 0.100 0.000 0.755 184 L CB -0.389 41.727 42.059 0.095 0.000 0.904 184 L HN 0.249 nan 8.230 nan 0.000 0.435 185 R N -0.049 120.507 120.500 0.093 0.000 2.066 185 R HA -0.118 4.227 4.340 0.009 0.000 0.232 185 R C 2.297 178.651 176.300 0.090 0.000 1.131 185 R CA 1.274 57.418 56.100 0.073 0.000 0.955 185 R CB -0.133 30.180 30.300 0.022 0.000 0.851 185 R HN 0.102 nan 8.270 nan 0.000 0.432 186 V N 0.971 120.937 119.914 0.087 0.000 2.287 186 V HA -0.270 3.855 4.120 0.009 0.000 0.248 186 V C 2.018 178.170 176.094 0.098 0.000 1.053 186 V CA 2.063 64.409 62.300 0.076 0.000 1.027 186 V CB -0.641 31.221 31.823 0.065 0.000 0.646 186 V HN 0.343 nan 8.190 nan 0.000 0.447 187 F N -0.077 119.878 119.950 0.009 0.000 2.069 187 F HA -0.262 4.270 4.527 0.009 0.000 0.298 187 F C 2.432 178.253 175.800 0.035 0.000 1.113 187 F CA 2.066 60.073 58.000 0.012 0.000 1.214 187 F CB -0.232 38.767 39.000 -0.001 0.000 0.978 187 F HN 0.031 nan 8.300 nan 0.000 0.474 188 M N 0.430 120.135 119.600 0.174 0.000 2.108 188 M HA -0.208 4.277 4.480 0.009 0.000 0.261 188 M C 2.219 178.501 176.300 -0.031 0.000 1.066 188 M CA 1.773 57.125 55.300 0.086 0.000 1.107 188 M CB -1.267 31.460 32.600 0.213 0.000 1.356 188 M HN 0.149 nan 8.290 nan 0.000 0.406 189 K N 1.033 121.432 120.400 -0.003 0.000 2.063 189 K HA -0.138 4.187 4.320 0.009 0.000 0.208 189 K C 1.453 178.018 176.600 -0.058 0.000 1.048 189 K CA 1.622 57.903 56.287 -0.009 0.000 0.928 189 K CB -0.279 32.227 32.500 0.010 0.000 0.713 189 K HN 0.275 nan 8.250 nan 0.000 0.442 190 N N 0.070 118.702 118.700 -0.113 0.000 2.446 190 N HA -0.038 4.707 4.740 0.009 0.000 0.179 190 N C 0.585 175.971 175.510 -0.207 0.000 1.054 190 N CA 0.727 53.695 53.050 -0.137 0.000 0.905 190 N CB 0.427 38.840 38.487 -0.124 0.000 0.973 190 N HN 0.291 nan 8.380 nan 0.000 0.448 191 E N -0.505 119.500 120.200 -0.326 0.000 2.536 191 E HA 0.249 4.604 4.350 0.009 0.000 0.220 191 E C 0.005 176.475 176.600 -0.216 0.000 0.876 191 E CA -0.073 56.104 56.400 -0.372 0.000 1.190 191 E CB 0.596 29.814 29.700 -0.803 0.000 1.191 191 E HN 0.095 nan 8.360 nan 0.000 0.557 192 A N 1.495 124.235 122.820 -0.133 0.000 2.363 192 A HA 0.390 4.715 4.320 0.009 0.000 0.270 192 A C 0.238 177.831 177.584 0.015 0.000 1.121 192 A CA 0.044 52.080 52.037 -0.002 0.000 0.800 192 A CB 0.282 19.333 19.000 0.084 0.000 1.052 192 A HN -0.104 nan 8.150 nan 0.000 0.493 193 T N 3.062 117.638 114.554 0.037 0.000 2.780 193 T HA 0.334 4.689 4.350 0.009 0.000 0.294 193 T C 0.087 174.826 174.700 0.064 0.000 0.949 193 T CA -0.030 62.085 62.100 0.026 0.000 1.074 193 T CB 0.268 69.142 68.868 0.010 0.000 0.910 193 T HN 0.528 nan 8.240 nan 0.000 0.501 194 L N 5.197 126.450 121.223 0.051 0.000 2.410 194 L HA 0.328 4.673 4.340 0.009 0.000 0.273 194 L C -0.004 176.893 176.870 0.045 0.000 1.144 194 L CA 0.698 55.586 54.840 0.080 0.000 0.863 194 L CB 0.233 42.315 42.059 0.039 0.000 1.140 194 L HN 0.589 nan 8.230 nan 0.000 0.463 195 T N 5.365 119.976 114.554 0.094 0.000 2.847 195 T HA 0.770 5.125 4.350 0.009 0.000 0.291 195 T C -0.455 174.301 174.700 0.094 0.000 0.998 195 T CA -0.318 61.829 62.100 0.078 0.000 0.967 195 T CB 1.302 70.224 68.868 0.089 0.000 0.954 195 T HN 0.813 nan 8.240 nan 0.000 0.441 196 A N 3.995 126.884 122.820 0.115 0.000 2.331 196 A HA 0.886 5.212 4.320 0.009 0.000 0.320 196 A C -0.369 177.310 177.584 0.157 0.000 1.138 196 A CA -0.924 51.188 52.037 0.124 0.000 0.790 196 A CB 0.950 20.043 19.000 0.155 0.000 1.206 196 A HN 0.574 nan 8.150 nan 0.000 0.470 197 R N 1.422 121.987 120.500 0.109 0.000 2.621 197 R HA 0.402 4.747 4.340 0.009 0.000 0.284 197 R C -0.889 175.424 176.300 0.021 0.000 0.998 197 R CA -0.770 55.380 56.100 0.083 0.000 0.895 197 R CB 1.767 32.094 30.300 0.044 0.000 1.195 197 R HN 0.609 nan 8.270 nan 0.000 0.450 198 V N 2.986 122.854 119.914 -0.077 0.000 2.740 198 V HA 0.064 4.189 4.120 0.009 0.000 0.303 198 V C 0.164 176.134 176.094 -0.206 0.000 1.054 198 V CA -0.164 61.952 62.300 -0.308 0.000 1.106 198 V CB 1.201 32.378 31.823 -1.077 0.000 0.957 198 V HN 0.435 nan 8.190 nan 0.000 0.486 199 V N 9.411 129.229 119.914 -0.160 0.000 2.521 199 V HA 0.176 4.302 4.120 0.009 0.000 0.286 199 V C -1.952 174.069 176.094 -0.123 0.000 1.034 199 V CA -1.090 61.148 62.300 -0.103 0.000 1.045 199 V CB 0.748 32.533 31.823 -0.063 0.000 0.974 199 V HN 0.904 nan 8.190 nan 0.000 0.480 200 P HA 0.179 nan 4.420 nan 0.000 0.260 200 P C 0.932 178.196 177.300 -0.060 0.000 1.185 200 P CA 1.468 64.521 63.100 -0.078 0.000 0.763 200 P CB 0.395 32.066 31.700 -0.048 0.000 0.776 201 G N 3.114 111.877 108.800 -0.060 0.000 2.194 201 G HA2 -0.265 3.700 3.960 0.009 0.000 0.236 201 G HA3 -0.265 3.700 3.960 0.009 0.000 0.236 201 G C 0.558 175.445 174.900 -0.022 0.000 0.987 201 G CA -0.217 44.865 45.100 -0.031 0.000 0.635 201 G HN 0.530 nan 8.290 nan 0.000 0.520 202 K N 0.195 120.566 120.400 -0.049 0.000 2.832 202 K HA 0.381 4.706 4.320 0.009 0.000 0.211 202 K C 1.243 177.843 176.600 -0.000 0.000 1.112 202 K CA -0.139 56.143 56.287 -0.008 0.000 1.108 202 K CB 0.473 32.974 32.500 0.001 0.000 0.899 202 K HN 0.259 nan 8.250 nan 0.000 0.464 203 E N 0.879 121.067 120.200 -0.019 0.000 2.150 203 E HA -0.175 4.180 4.350 0.009 0.000 0.193 203 E C 1.788 178.545 176.600 0.262 0.000 0.985 203 E CA 1.166 57.614 56.400 0.079 0.000 0.814 203 E CB 0.245 29.986 29.700 0.068 0.000 0.752 203 E HN 0.286 nan 8.360 nan 0.000 0.466 204 Q N 0.184 120.076 119.800 0.154 0.000 2.036 204 Q HA -0.108 4.237 4.340 0.009 0.000 0.195 204 Q C 2.119 178.208 176.000 0.147 0.000 0.971 204 Q CA 0.925 56.811 55.803 0.138 0.000 0.826 204 Q CB 0.021 28.811 28.738 0.086 0.000 0.896 204 Q HN 0.209 nan 8.270 nan 0.000 0.449 205 E N -0.704 119.573 120.200 0.129 0.000 2.114 205 E HA -0.181 4.174 4.350 0.009 0.000 0.199 205 E C 0.818 177.540 176.600 0.203 0.000 1.008 205 E CA 1.279 57.759 56.400 0.133 0.000 0.810 205 E CB -0.229 29.535 29.700 0.106 0.000 0.739 205 E HN 0.444 nan 8.360 nan 0.000 0.456 206 G N -0.789 108.185 108.800 0.291 0.000 3.702 206 G HA2 0.335 4.300 3.960 0.009 0.000 0.288 206 G HA3 0.335 4.300 3.960 0.009 0.000 0.288 206 G C 0.935 176.134 174.900 0.498 0.000 1.193 206 G CA 0.335 45.722 45.100 0.480 0.000 0.952 206 G HN 0.305 nan 8.290 nan 0.000 0.544 207 A N 1.130 124.112 122.820 0.269 0.000 2.032 207 A HA -0.080 4.245 4.320 0.009 0.000 0.221 207 A C 2.254 179.785 177.584 -0.088 0.000 1.165 207 A CA 1.509 53.609 52.037 0.104 0.000 0.645 207 A CB -0.192 18.841 19.000 0.055 0.000 0.807 207 A HN 0.417 nan 8.150 nan 0.000 0.453 208 K N -1.379 118.927 120.400 -0.158 0.000 2.209 208 K HA -0.106 4.219 4.320 0.009 0.000 0.204 208 K C 0.439 176.749 176.600 -0.482 0.000 1.048 208 K CA 1.324 57.363 56.287 -0.413 0.000 0.940 208 K CB -0.254 31.843 32.500 -0.672 0.000 0.729 208 K HN 0.620 nan 8.250 nan 0.000 0.451 209 F N 0.492 120.465 119.950 0.038 0.000 2.660 209 F HA 0.053 4.585 4.527 0.009 0.000 0.297 209 F C 1.983 177.615 175.800 -0.279 0.000 1.132 209 F CA -0.287 57.783 58.000 0.116 0.000 1.372 209 F CB 0.023 39.217 39.000 0.323 0.000 1.003 209 F HN -0.025 nan 8.300 nan 0.000 0.524 210 S N -0.639 114.667 115.700 -0.656 0.000 2.419 210 S HA -0.228 4.247 4.470 0.009 0.000 0.235 210 S C 1.528 175.680 174.600 -0.748 0.000 1.019 210 S CA 1.656 59.027 58.200 -1.382 0.000 0.982 210 S CB -0.314 62.382 63.200 -0.841 0.000 0.789 210 S HN 0.273 nan 8.310 nan 0.000 0.490 211 D N 0.502 120.570 120.400 -0.554 0.000 2.310 211 D HA 0.004 4.649 4.640 0.009 0.000 0.212 211 D C 0.578 176.540 176.300 -0.564 0.000 0.965 211 D CA 0.941 54.581 54.000 -0.599 0.000 0.879 211 D CB -0.256 40.048 40.800 -0.827 0.000 0.921 211 D HN 0.726 nan 8.370 nan 0.000 0.510 212 Y N -1.411 118.894 120.300 0.007 0.000 2.584 212 Y HA 0.164 4.719 4.550 0.008 0.000 0.254 212 Y C 1.196 177.297 175.900 0.334 0.000 1.177 212 Y CA -0.632 57.544 58.100 0.126 0.000 1.216 212 Y CB 0.198 38.704 38.460 0.078 0.000 1.172 212 Y HN -0.177 nan 8.280 nan 0.000 0.529 213 F N 1.014 121.060 119.950 0.161 0.000 2.293 213 F HA -0.096 4.436 4.527 0.009 0.000 0.300 213 F C 1.235 177.102 175.800 0.112 0.000 1.086 213 F CA 1.123 59.198 58.000 0.125 0.000 1.375 213 F CB -0.036 39.016 39.000 0.086 0.000 1.045 213 F HN 0.134 nan 8.300 nan 0.000 0.516 214 E N -1.470 118.919 120.200 0.314 0.000 4.230 214 E HA 0.054 4.409 4.350 0.009 0.000 0.218 214 E C -1.016 175.703 176.600 0.199 0.000 1.140 214 E CA -0.127 56.393 56.400 0.201 0.000 1.405 214 E CB -0.053 29.740 29.700 0.154 0.000 1.193 214 E HN 0.163 nan 8.360 nan 0.000 0.423 215 H N -0.168 118.983 119.070 0.136 0.000 2.467 215 H HA 0.447 5.008 4.556 0.009 0.000 0.326 215 H C -1.203 174.179 175.328 0.091 0.000 1.094 215 H CA -0.062 56.059 56.048 0.122 0.000 1.253 215 H CB 0.957 30.847 29.762 0.213 0.000 1.439 215 H HN 0.032 nan 8.280 nan 0.000 0.479 216 D N 2.674 122.766 120.400 -0.514 0.000 2.780 216 D HA 0.299 4.944 4.640 0.009 0.000 0.242 216 D C -0.973 175.017 176.300 -0.516 0.000 1.135 216 D CA -0.488 53.280 54.000 -0.388 0.000 0.859 216 D CB 1.761 42.470 40.800 -0.152 0.000 1.530 216 D HN 0.759 nan 8.370 nan 0.000 0.493 217 E N -0.337 119.677 120.200 -0.310 0.000 2.388 217 E HA 0.479 4.834 4.350 0.009 0.000 0.280 217 E C -3.066 173.495 176.600 -0.064 0.000 1.019 217 E CA -2.139 54.167 56.400 -0.156 0.000 0.806 217 E CB 1.482 31.125 29.700 -0.094 0.000 1.246 217 E HN -0.079 nan 8.360 nan 0.000 0.443 218 P HA -0.088 nan 4.420 nan 0.000 0.263 218 P C 0.430 177.728 177.300 -0.004 0.000 1.175 218 P CA -0.096 62.991 63.100 -0.021 0.000 0.761 218 P CB 0.408 32.094 31.700 -0.022 0.000 0.794 219 L N 5.882 127.111 121.223 0.010 0.000 2.046 219 L HA -0.175 4.170 4.340 0.009 0.000 0.208 219 L C 1.923 178.807 176.870 0.023 0.000 1.077 219 L CA 1.860 56.720 54.840 0.034 0.000 0.747 219 L CB -0.998 41.101 42.059 0.066 0.000 0.896 219 L HN 0.316 nan 8.230 nan 0.000 0.432 220 K N -0.974 119.430 120.400 0.006 0.000 2.515 220 K HA -0.024 4.301 4.320 0.009 0.000 0.196 220 K C 1.239 177.838 176.600 -0.002 0.000 1.038 220 K CA 1.249 57.536 56.287 0.001 0.000 0.967 220 K CB -0.364 32.127 32.500 -0.015 0.000 0.780 220 K HN 0.510 nan 8.250 nan 0.000 0.483 221 S N -0.617 115.083 115.700 -0.000 0.000 2.666 221 S HA 0.356 4.831 4.470 0.009 0.000 0.239 221 S C 0.622 175.226 174.600 0.007 0.000 1.031 221 S CA -0.354 57.847 58.200 0.001 0.000 1.015 221 S CB 0.444 63.644 63.200 0.000 0.000 0.981 221 S HN 0.332 nan 8.310 nan 0.000 0.547 222 A N 4.469 127.292 122.820 0.005 0.000 2.545 222 A HA 0.482 4.807 4.320 0.009 0.000 0.253 222 A C -1.767 175.804 177.584 -0.021 0.000 1.074 222 A CA -0.718 51.315 52.037 -0.006 0.000 0.760 222 A CB -0.459 18.525 19.000 -0.027 0.000 1.005 222 A HN 0.479 nan 8.150 nan 0.000 0.506 223 P HA 0.154 nan 4.420 nan 0.000 0.276 223 P C 1.031 178.298 177.300 -0.055 0.000 1.252 223 P CA -0.257 62.835 63.100 -0.014 0.000 0.802 223 P CB 1.239 32.956 31.700 0.028 0.000 1.035 224 S N 0.840 116.548 115.700 0.012 0.000 2.365 224 S HA -0.255 4.220 4.470 0.009 0.000 0.225 224 S C 1.902 176.502 174.600 0.002 0.000 1.039 224 S CA 2.187 60.394 58.200 0.011 0.000 1.033 224 S CB -1.305 61.920 63.200 0.041 0.000 0.887 224 S HN 0.765 nan 8.310 nan 0.000 0.447 225 H N 0.069 119.151 119.070 0.021 0.000 2.357 225 H HA 0.185 4.747 4.556 0.009 0.000 0.301 225 H C 2.317 177.656 175.328 0.018 0.000 1.082 225 H CA 1.183 57.272 56.048 0.069 0.000 1.342 225 H CB -0.442 29.405 29.762 0.141 0.000 1.389 225 H HN 0.269 nan 8.280 nan 0.000 0.511 226 R N 0.644 120.743 120.500 -0.668 0.000 2.081 226 R HA -0.056 4.290 4.340 0.009 0.000 0.235 226 R C 2.694 178.701 176.300 -0.488 0.000 1.131 226 R CA 1.091 56.911 56.100 -0.468 0.000 0.960 226 R CB -0.432 29.642 30.300 -0.376 0.000 0.856 226 R HN 0.508 nan 8.270 nan 0.000 0.436 227 A N 1.338 123.936 122.820 -0.371 0.000 1.908 227 A HA -0.142 4.183 4.320 0.009 0.000 0.218 227 A C 2.205 179.556 177.584 -0.388 0.000 1.181 227 A CA 1.253 53.050 52.037 -0.399 0.000 0.627 227 A CB -0.527 18.354 19.000 -0.198 0.000 0.818 227 A HN 0.181 nan 8.150 nan 0.000 0.445 228 L N -1.013 120.026 121.223 -0.307 0.000 2.156 228 L HA -0.113 4.232 4.340 0.009 0.000 0.208 228 L C 3.056 179.572 176.870 -0.590 0.000 1.095 228 L CA 0.807 55.387 54.840 -0.434 0.000 0.770 228 L CB -0.526 41.136 42.059 -0.663 0.000 0.914 228 L HN 0.430 nan 8.230 nan 0.000 0.439 229 A N 0.595 123.148 122.820 -0.445 0.000 1.877 229 A HA -0.178 4.147 4.320 0.009 0.000 0.216 229 A C 2.224 179.633 177.584 -0.291 0.000 1.186 229 A CA 1.519 53.487 52.037 -0.114 0.000 0.620 229 A CB -0.635 18.392 19.000 0.046 0.000 0.822 229 A HN 0.316 nan 8.150 nan 0.000 0.443 230 I N -1.709 118.469 120.570 -0.654 0.000 2.179 230 I HA -0.250 3.925 4.170 0.009 0.000 0.242 230 I C 2.180 177.999 176.117 -0.497 0.000 1.088 230 I CA 1.348 62.245 61.300 -0.671 0.000 1.357 230 I CB -0.381 37.141 38.000 -0.796 0.000 1.051 230 I HN 0.274 nan 8.210 nan 0.000 0.409 231 F N 0.660 120.395 119.950 -0.359 0.000 2.293 231 F HA -0.129 4.403 4.527 0.008 0.000 0.300 231 F C 2.623 178.285 175.800 -0.229 0.000 1.086 231 F CA 1.181 59.002 58.000 -0.297 0.000 1.375 231 F CB -0.677 38.158 39.000 -0.275 0.000 1.045 231 F HN -0.021 nan 8.300 nan 0.000 0.516 232 R N 0.266 120.743 120.500 -0.038 0.000 2.062 232 R HA -0.043 4.302 4.340 0.009 0.000 0.229 232 R C 2.535 178.704 176.300 -0.218 0.000 1.128 232 R CA 1.310 57.415 56.100 0.008 0.000 0.960 232 R CB -0.907 29.531 30.300 0.230 0.000 0.855 232 R HN 0.317 nan 8.270 nan 0.000 0.432 233 G N 0.979 109.375 108.800 -0.672 0.000 2.440 233 G HA2 -0.326 3.639 3.960 0.009 0.000 0.218 233 G HA3 -0.326 3.639 3.960 0.009 0.000 0.218 233 G C 1.528 176.128 174.900 -0.499 0.000 1.154 233 G CA 0.824 45.170 45.100 -1.257 0.000 0.767 233 G HN 0.359 nan 8.290 nan 0.000 0.552 234 R N 0.254 120.577 120.500 -0.296 0.000 2.096 234 R HA -0.060 4.285 4.340 0.009 0.000 0.235 234 R C 2.231 178.490 176.300 -0.069 0.000 1.127 234 R CA 1.436 57.458 56.100 -0.129 0.000 0.968 234 R CB -0.315 29.948 30.300 -0.062 0.000 0.861 234 R HN 0.221 nan 8.270 nan 0.000 0.440 235 N N 1.156 119.822 118.700 -0.056 0.000 2.309 235 N HA -0.148 4.598 4.740 0.009 0.000 0.182 235 N C 0.329 175.836 175.510 -0.005 0.000 1.018 235 N CA 1.430 54.474 53.050 -0.010 0.000 0.876 235 N CB 0.082 38.578 38.487 0.014 0.000 0.972 235 N HN 0.574 nan 8.380 nan 0.000 0.434 236 E N -1.010 119.172 120.200 -0.030 0.000 2.496 236 E HA 0.289 4.644 4.350 0.009 0.000 0.202 236 E C 0.594 177.193 176.600 -0.001 0.000 1.021 236 E CA 0.021 56.428 56.400 0.011 0.000 1.015 236 E CB -0.081 29.660 29.700 0.069 0.000 1.102 236 E HN 0.099 nan 8.360 nan 0.000 0.452 237 G N 0.858 109.643 108.800 -0.024 0.000 2.175 237 G HA2 -0.348 3.617 3.960 0.009 0.000 0.265 237 G HA3 -0.348 3.617 3.960 0.009 0.000 0.265 237 G C 0.908 175.794 174.900 -0.024 0.000 0.979 237 G CA 0.542 45.633 45.100 -0.015 0.000 0.663 237 G HN 0.325 nan 8.290 nan 0.000 0.533 238 V N -0.281 119.602 119.914 -0.051 0.000 2.599 238 V HA 0.339 4.465 4.120 0.009 0.000 0.245 238 V C 1.592 177.651 176.094 -0.058 0.000 1.046 238 V CA 1.700 63.985 62.300 -0.024 0.000 1.065 238 V CB -0.042 31.806 31.823 0.041 0.000 0.703 238 V HN 0.392 nan 8.190 nan 0.000 0.464 239 L N -0.477 120.680 121.223 -0.110 0.000 2.286 239 L HA 0.632 4.978 4.340 0.009 0.000 0.265 239 L C -0.206 176.635 176.870 -0.050 0.000 1.012 239 L CA -0.348 54.449 54.840 -0.072 0.000 0.818 239 L CB 2.069 44.071 42.059 -0.096 0.000 1.337 239 L HN 0.181 nan 8.230 nan 0.000 0.438 240 S N 0.127 115.818 115.700 -0.016 0.000 2.526 240 S HA 0.894 5.369 4.470 0.009 0.000 0.293 240 S C -0.936 173.690 174.600 0.042 0.000 1.092 240 S CA -0.629 57.584 58.200 0.021 0.000 0.980 240 S CB 2.099 65.317 63.200 0.030 0.000 1.048 240 S HN 0.778 nan 8.310 nan 0.000 0.483 241 A N 1.983 124.864 122.820 0.102 0.000 2.371 241 A HA 0.930 5.256 4.320 0.009 0.000 0.311 241 A C -0.073 177.765 177.584 0.424 0.000 1.068 241 A CA -0.525 51.607 52.037 0.160 0.000 0.744 241 A CB 1.378 20.318 19.000 -0.101 0.000 1.239 241 A HN 1.858 nan 8.150 nan 0.000 0.435 242 S N 1.084 117.025 115.700 0.402 0.000 2.671 242 S HA 0.819 5.294 4.470 0.009 0.000 0.277 242 S C -1.194 173.611 174.600 0.342 0.000 1.165 242 S CA -0.779 57.646 58.200 0.375 0.000 0.822 242 S CB 0.846 64.183 63.200 0.229 0.000 1.150 242 S HN 0.683 nan 8.310 nan 0.000 0.479 243 L N 1.044 122.463 121.223 0.328 0.000 2.341 243 L HA 0.674 5.019 4.340 0.009 0.000 0.278 243 L C -0.518 176.540 176.870 0.314 0.000 1.005 243 L CA -0.728 54.284 54.840 0.287 0.000 0.818 243 L CB 1.706 43.892 42.059 0.213 0.000 1.259 243 L HN 0.543 nan 8.230 nan 0.000 0.418 244 K N 2.364 122.898 120.400 0.224 0.000 2.427 244 K HA 0.476 4.802 4.320 0.009 0.000 0.252 244 K C -0.015 176.684 176.600 0.165 0.000 0.931 244 K CA -0.518 55.889 56.287 0.199 0.000 0.793 244 K CB 2.956 35.528 32.500 0.120 0.000 1.211 244 K HN 0.279 nan 8.250 nan 0.000 0.426 245 V N 0.185 120.206 119.914 0.178 0.000 2.840 245 V HA 0.310 4.435 4.120 0.009 0.000 0.234 245 V C 0.863 176.951 176.094 -0.009 0.000 1.159 245 V CA 0.771 63.111 62.300 0.068 0.000 1.194 245 V CB -0.339 31.538 31.823 0.090 0.000 0.971 245 V HN 1.057 nan 8.190 nan 0.000 0.494 250 P HA 0.361 nan 4.420 nan 0.000 0.257 250 P C 1.007 178.317 177.300 0.016 0.000 1.325 250 P CA 0.892 64.001 63.100 0.015 0.000 0.850 250 P CB 0.360 32.068 31.700 0.012 0.000 1.324 251 G N 0.410 109.223 108.800 0.022 0.000 2.249 251 G HA2 -0.214 3.751 3.960 0.009 0.000 0.273 251 G HA3 -0.214 3.751 3.960 0.009 0.000 0.273 251 G C 0.075 174.988 174.900 0.021 0.000 1.036 251 G CA 0.355 45.470 45.100 0.024 0.000 0.824 251 G HN 0.418 nan 8.290 nan 0.000 0.504 252 T N 0.028 114.595 114.554 0.022 0.000 2.859 252 T HA 0.586 4.941 4.350 0.009 0.000 0.281 252 T C 0.094 174.806 174.700 0.019 0.000 1.005 252 T CA -0.697 61.409 62.100 0.011 0.000 1.025 252 T CB 2.272 71.139 68.868 -0.002 0.000 0.977 252 T HN 0.298 nan 8.240 nan 0.000 0.458 253 L N 3.743 124.968 121.223 0.003 0.000 2.360 253 L HA 0.211 4.556 4.340 0.009 0.000 0.276 253 L C 0.512 177.372 176.870 -0.017 0.000 1.121 253 L CA -0.144 54.698 54.840 0.003 0.000 0.845 253 L CB 0.030 42.080 42.059 -0.016 0.000 1.143 253 L HN 0.637 nan 8.230 nan 0.000 0.452 254 H N 7.117 126.125 119.070 -0.102 0.000 2.764 254 H HA 0.140 4.701 4.556 0.008 0.000 0.341 254 H C -1.758 173.408 175.328 -0.269 0.000 1.072 254 H CA -1.446 54.497 56.048 -0.174 0.000 1.444 254 H CB 1.467 31.069 29.762 -0.268 0.000 1.458 254 H HN 0.492 nan 8.280 nan 0.000 0.572 255 P HA -0.140 nan 4.420 nan 0.000 0.219 255 P C 1.277 178.354 177.300 -0.372 0.000 1.146 255 P CA 1.038 63.974 63.100 -0.274 0.000 0.808 255 P CB 0.037 31.581 31.700 -0.260 0.000 0.779 256 C N -0.337 118.782 119.300 -0.301 0.000 2.464 256 C HA 0.047 4.512 4.460 0.009 0.000 0.278 256 C C 2.668 177.331 174.990 -0.545 0.000 1.375 256 C CA 0.283 58.915 59.018 -0.644 0.000 1.761 256 C CB -1.404 25.610 27.740 -1.208 0.000 1.944 256 C HN 0.315 nan 8.230 nan 0.000 0.509 257 E N 0.881 120.796 120.200 -0.475 0.000 2.110 257 E HA -0.165 4.190 4.350 0.009 0.000 0.193 257 E C 2.124 178.639 176.600 -0.142 0.000 0.988 257 E CA 1.228 57.491 56.400 -0.229 0.000 0.804 257 E CB -0.079 29.546 29.700 -0.124 0.000 0.745 257 E HN 0.494 nan 8.360 nan 0.000 0.458 258 V N 1.212 121.026 119.914 -0.167 0.000 2.295 258 V HA -0.304 3.821 4.120 0.009 0.000 0.246 258 V C 2.285 178.289 176.094 -0.149 0.000 1.049 258 V CA 1.813 64.030 62.300 -0.138 0.000 1.024 258 V CB -0.429 31.304 31.823 -0.151 0.000 0.648 258 V HN 0.314 nan 8.190 nan 0.000 0.447 259 M N -0.832 118.638 119.600 -0.216 0.000 2.159 259 M HA -0.128 4.358 4.480 0.009 0.000 0.263 259 M C 2.166 178.382 176.300 -0.140 0.000 1.063 259 M CA 1.947 57.124 55.300 -0.205 0.000 1.110 259 M CB -0.499 31.931 32.600 -0.284 0.000 1.374 259 M HN 0.262 nan 8.290 nan 0.000 0.411 260 I N 0.247 120.759 120.570 -0.097 0.000 2.142 260 I HA -0.277 3.898 4.170 0.009 0.000 0.240 260 I C 2.774 178.921 176.117 0.050 0.000 1.078 260 I CA 1.411 62.722 61.300 0.018 0.000 1.343 260 I CB -0.648 37.400 38.000 0.081 0.000 1.046 260 I HN 0.258 nan 8.210 nan 0.000 0.405 261 A N 0.407 123.236 122.820 0.017 0.000 1.883 261 A HA -0.239 4.086 4.320 0.009 0.000 0.217 261 A C 2.225 179.806 177.584 -0.006 0.000 1.186 261 A CA 1.816 53.872 52.037 0.031 0.000 0.624 261 A CB -0.668 18.340 19.000 0.013 0.000 0.822 261 A HN 0.468 nan 8.150 nan 0.000 0.444 262 E N -0.987 119.176 120.200 -0.060 0.000 2.110 262 E HA -0.231 4.125 4.350 0.009 0.000 0.193 262 E C 2.238 178.756 176.600 -0.137 0.000 0.988 262 E CA 1.265 57.613 56.400 -0.087 0.000 0.804 262 E CB -0.150 29.490 29.700 -0.100 0.000 0.745 262 E HN 0.533 nan 8.360 nan 0.000 0.458 263 R N 0.633 121.007 120.500 -0.210 0.000 2.096 263 R HA -0.119 4.226 4.340 0.009 0.000 0.235 263 R C 1.189 177.144 176.300 -0.576 0.000 1.127 263 R CA 1.415 57.259 56.100 -0.427 0.000 0.968 263 R CB -0.320 29.633 30.300 -0.578 0.000 0.861 263 R HN 0.103 nan 8.270 nan 0.000 0.440 264 F N -0.556 119.297 119.950 -0.160 0.000 2.639 264 F HA 0.361 4.893 4.527 0.008 0.000 0.302 264 F C 1.289 177.101 175.800 0.021 0.000 1.097 264 F CA 0.225 58.171 58.000 -0.091 0.000 1.294 264 F CB 0.896 39.683 39.000 -0.356 0.000 1.027 264 F HN 0.275 nan 8.300 nan 0.000 0.550 265 G N 1.415 110.244 108.800 0.048 0.000 2.198 265 G HA2 -0.313 3.652 3.960 0.009 0.000 0.260 265 G HA3 -0.313 3.652 3.960 0.009 0.000 0.260 265 G C -0.039 174.839 174.900 -0.035 0.000 1.025 265 G CA -0.180 44.917 45.100 -0.004 0.000 0.769 265 G HN 0.311 nan 8.290 nan 0.000 0.507 266 L N 1.465 122.690 121.223 0.004 0.000 2.276 266 L HA 0.621 4.966 4.340 0.009 0.000 0.286 266 L C 0.595 177.458 176.870 -0.011 0.000 1.061 266 L CA -0.105 54.729 54.840 -0.009 0.000 0.807 266 L CB 1.705 43.804 42.059 0.066 0.000 1.177 266 L HN 0.385 nan 8.230 nan 0.000 0.429 267 S N 1.176 116.862 115.700 -0.022 0.000 2.547 267 S HA 0.335 4.810 4.470 0.009 0.000 0.281 267 S C -0.613 173.982 174.600 -0.008 0.000 1.118 267 S CA -0.996 57.194 58.200 -0.016 0.000 0.947 267 S CB 1.796 64.983 63.200 -0.023 0.000 1.053 267 S HN 0.537 nan 8.310 nan 0.000 0.482 268 N N 2.058 120.758 118.700 -0.000 0.000 2.739 268 N HA 0.130 4.875 4.740 0.009 0.000 0.266 268 N C 0.159 175.672 175.510 0.004 0.000 1.168 268 N CA -0.009 53.046 53.050 0.008 0.000 1.055 268 N CB 0.206 38.701 38.487 0.014 0.000 1.393 268 N HN 0.731 nan 8.380 nan 0.000 0.514 269 Q N 0.827 120.628 119.800 0.002 0.000 2.246 269 Q HA 0.201 4.546 4.340 0.009 0.000 0.202 269 Q C 0.859 176.861 176.000 0.004 0.000 0.883 269 Q CA 0.093 55.896 55.803 -0.001 0.000 0.952 269 Q CB 0.421 29.155 28.738 -0.007 0.000 1.078 269 Q HN 0.718 nan 8.270 nan 0.000 0.493 270 G N 1.591 110.397 108.800 0.011 0.000 2.143 270 G HA2 -0.312 3.653 3.960 0.009 0.000 0.248 270 G HA3 -0.312 3.653 3.960 0.009 0.000 0.248 270 G C -0.029 174.879 174.900 0.013 0.000 0.991 270 G CA -0.100 45.008 45.100 0.014 0.000 0.689 270 G HN 0.243 nan 8.290 nan 0.000 0.522 271 R N -0.379 120.129 120.500 0.013 0.000 2.615 271 R HA 0.608 4.954 4.340 0.009 0.000 0.270 271 R C 1.966 178.279 176.300 0.022 0.000 1.081 271 R CA 0.081 56.188 56.100 0.012 0.000 1.154 271 R CB 0.391 30.695 30.300 0.006 0.000 1.063 271 R HN 0.393 nan 8.270 nan 0.000 0.519 272 A N 1.581 124.410 122.820 0.015 0.000 1.958 272 A HA -0.241 4.084 4.320 0.009 0.000 0.221 272 A C 1.846 179.449 177.584 0.033 0.000 1.178 272 A CA 2.292 54.338 52.037 0.015 0.000 0.642 272 A CB -0.637 18.362 19.000 -0.002 0.000 0.816 272 A HN 0.777 nan 8.150 nan 0.000 0.453 273 A N -1.411 121.437 122.820 0.047 0.000 2.267 273 A HA 0.156 4.481 4.320 0.009 0.000 0.213 273 A C 1.449 179.134 177.584 0.169 0.000 1.192 273 A CA 0.858 52.958 52.037 0.105 0.000 0.851 273 A CB -0.168 18.887 19.000 0.092 0.000 0.881 273 A HN 0.378 nan 8.150 nan 0.000 0.494 274 D N 0.890 121.351 120.400 0.101 0.000 2.123 274 D HA -0.144 4.501 4.640 0.009 0.000 0.196 274 D C 1.727 178.083 176.300 0.093 0.000 0.992 274 D CA 1.275 55.325 54.000 0.083 0.000 0.833 274 D CB -0.067 40.759 40.800 0.045 0.000 0.954 274 D HN 0.457 nan 8.370 nan 0.000 0.455 275 K N -0.581 119.878 120.400 0.100 0.000 2.148 275 K HA -0.139 4.186 4.320 0.009 0.000 0.204 275 K C 2.041 178.709 176.600 0.113 0.000 1.050 275 K CA 0.594 56.935 56.287 0.090 0.000 0.942 275 K CB -0.117 32.433 32.500 0.083 0.000 0.724 275 K HN 0.210 nan 8.250 nan 0.000 0.446 276 W N 1.873 123.158 121.300 -0.024 0.000 2.381 276 W HA -0.118 4.547 4.660 0.009 0.000 0.301 276 W C 1.469 177.960 176.519 -0.046 0.000 1.205 276 W CA 1.124 58.437 57.345 -0.054 0.000 1.285 276 W CB -0.263 29.160 29.460 -0.062 0.000 1.133 276 W HN -0.099 nan 8.180 nan 0.000 0.521 277 L N 0.532 121.788 121.223 0.055 0.000 2.046 277 L HA -0.206 4.140 4.340 0.009 0.000 0.208 277 L C 2.683 179.488 176.870 -0.109 0.000 1.077 277 L CA 1.509 56.297 54.840 -0.087 0.000 0.747 277 L CB -1.312 40.816 42.059 0.115 0.000 0.896 277 L HN 0.103 nan 8.230 nan 0.000 0.432 278 A N -0.349 122.449 122.820 -0.036 0.000 1.969 278 A HA -0.241 4.084 4.320 0.009 0.000 0.218 278 A C 2.255 179.815 177.584 -0.039 0.000 1.169 278 A CA 1.680 53.711 52.037 -0.010 0.000 0.635 278 A CB -0.446 18.565 19.000 0.019 0.000 0.810 278 A HN 0.516 nan 8.150 nan 0.000 0.445 279 E N 0.017 120.141 120.200 -0.127 0.000 2.072 279 E HA -0.132 4.223 4.350 0.009 0.000 0.191 279 E C 1.787 178.220 176.600 -0.278 0.000 0.985 279 E CA 1.452 57.751 56.400 -0.169 0.000 0.801 279 E CB -0.174 29.351 29.700 -0.292 0.000 0.750 279 E HN 0.293 nan 8.360 nan 0.000 0.452 280 V N 0.803 120.407 119.914 -0.515 0.000 2.255 280 V HA -0.279 3.846 4.120 0.009 0.000 0.247 280 V C 2.503 178.510 176.094 -0.144 0.000 1.051 280 V CA 1.660 63.649 62.300 -0.519 0.000 1.018 280 V CB -0.439 30.946 31.823 -0.730 0.000 0.641 280 V HN 0.236 nan 8.190 nan 0.000 0.445 281 V N -0.181 119.730 119.914 -0.005 0.000 2.287 281 V HA -0.321 3.804 4.120 0.009 0.000 0.248 281 V C 2.554 178.748 176.094 0.168 0.000 1.053 281 V CA 2.556 64.939 62.300 0.138 0.000 1.027 281 V CB -0.807 31.088 31.823 0.120 0.000 0.646 281 V HN 0.485 nan 8.190 nan 0.000 0.447 282 R N -1.419 119.179 120.500 0.162 0.000 2.073 282 R HA -0.213 4.133 4.340 0.009 0.000 0.234 282 R C 2.120 178.575 176.300 0.258 0.000 1.134 282 R CA 2.232 58.467 56.100 0.226 0.000 0.952 282 R CB -0.284 30.156 30.300 0.233 0.000 0.850 282 R HN 0.549 nan 8.270 nan 0.000 0.433 283 W N 0.260 121.518 121.300 -0.069 0.000 2.388 283 W HA -0.031 4.634 4.660 0.009 0.000 0.294 283 W C 2.329 178.775 176.519 -0.121 0.000 1.212 283 W CA 1.366 58.632 57.345 -0.131 0.000 1.271 283 W CB -0.816 28.494 29.460 -0.249 0.000 1.126 283 W HN 0.081 nan 8.180 nan 0.000 0.535 284 T N -0.334 114.301 114.554 0.135 0.000 2.684 284 T HA -0.285 4.070 4.350 0.009 0.000 0.267 284 T C 1.524 176.322 174.700 0.163 0.000 1.036 284 T CA 1.699 63.861 62.100 0.104 0.000 1.148 284 T CB -0.871 68.101 68.868 0.174 0.000 0.863 284 T HN 0.368 nan 8.240 nan 0.000 0.436 285 W N 2.097 123.404 121.300 0.012 0.000 2.353 285 W HA -0.124 4.541 4.660 0.008 0.000 0.319 285 W C 1.912 178.413 176.519 -0.030 0.000 1.207 285 W CA 1.102 58.438 57.345 -0.017 0.000 1.291 285 W CB -0.151 29.274 29.460 -0.059 0.000 1.159 285 W HN 0.197 nan 8.180 nan 0.000 0.478 286 K N -0.141 120.123 120.400 -0.227 0.000 2.288 286 K HA -0.102 4.223 4.320 0.009 0.000 0.201 286 K C 1.650 178.044 176.600 -0.343 0.000 1.048 286 K CA 1.199 57.235 56.287 -0.418 0.000 0.956 286 K CB 0.008 32.324 32.500 -0.306 0.000 0.746 286 K HN 0.128 nan 8.250 nan 0.000 0.461 287 V N 0.533 120.305 119.914 -0.237 0.000 2.788 287 V HA -0.024 4.101 4.120 0.009 0.000 0.241 287 V C 1.829 177.862 176.094 -0.102 0.000 1.083 287 V CA 1.016 63.215 62.300 -0.168 0.000 1.103 287 V CB 0.123 31.867 31.823 -0.131 0.000 0.800 287 V HN 0.087 nan 8.190 nan 0.000 0.476 288 K N -0.125 120.230 120.400 -0.075 0.000 2.216 288 K HA 0.319 4.644 4.320 0.009 0.000 0.207 288 K C 2.013 178.605 176.600 -0.014 0.000 1.041 288 K CA 0.612 56.890 56.287 -0.016 0.000 0.966 288 K CB -0.240 32.276 32.500 0.028 0.000 0.955 288 K HN 0.228 nan 8.250 nan 0.000 0.468 289 L N 0.200 121.408 121.223 -0.024 0.000 2.068 289 L HA -0.117 4.228 4.340 0.009 0.000 0.204 289 L C 2.589 179.308 176.870 -0.251 0.000 1.076 289 L CA 1.102 55.944 54.840 0.003 0.000 0.753 289 L CB -0.542 41.669 42.059 0.253 0.000 0.910 289 L HN 0.111 nan 8.230 nan 0.000 0.439 290 Y N 0.593 120.359 120.300 -0.891 0.000 2.053 290 Y HA -0.375 4.180 4.550 0.009 0.000 0.277 290 Y C 2.935 178.550 175.900 -0.476 0.000 1.159 290 Y CA 2.443 59.880 58.100 -1.105 0.000 1.125 290 Y CB -0.631 36.956 38.460 -1.456 0.000 0.969 290 Y HN 0.062 nan 8.280 nan 0.000 0.492 291 T N -0.995 113.351 114.554 -0.347 0.000 2.788 291 T HA -0.279 4.076 4.350 0.009 0.000 0.268 291 T C 1.847 176.413 174.700 -0.222 0.000 1.044 291 T CA 1.911 63.840 62.100 -0.284 0.000 1.139 291 T CB -0.716 68.091 68.868 -0.102 0.000 0.867 291 T HN 0.755 nan 8.240 nan 0.000 0.454 292 H N -0.223 118.702 119.070 -0.242 0.000 2.290 292 H HA -0.008 4.553 4.556 0.008 0.000 0.298 292 H C 2.276 177.489 175.328 -0.192 0.000 1.087 292 H CA 1.617 57.567 56.048 -0.162 0.000 1.291 292 H CB -0.165 29.543 29.762 -0.090 0.000 1.369 292 H HN 0.314 nan 8.280 nan 0.000 0.492 293 L N 0.439 121.596 121.223 -0.110 0.000 2.083 293 L HA -0.151 4.194 4.340 0.009 0.000 0.209 293 L C 2.689 179.398 176.870 -0.269 0.000 1.083 293 L CA 1.421 56.156 54.840 -0.174 0.000 0.752 293 L CB -0.419 41.560 42.059 -0.133 0.000 0.899 293 L HN 0.490 nan 8.230 nan 0.000 0.433 294 E N -0.150 119.723 120.200 -0.544 0.000 2.077 294 E HA -0.202 4.153 4.350 0.009 0.000 0.193 294 E C 1.982 178.272 176.600 -0.515 0.000 0.989 294 E CA 1.799 57.748 56.400 -0.752 0.000 0.800 294 E CB 0.119 29.166 29.700 -1.087 0.000 0.746 294 E HN 0.425 nan 8.360 nan 0.000 0.452 295 T N 1.245 115.629 114.554 -0.282 0.000 2.708 295 T HA -0.142 4.213 4.350 0.009 0.000 0.266 295 T C 1.229 175.925 174.700 -0.007 0.000 1.037 295 T CA 1.392 63.433 62.100 -0.097 0.000 1.146 295 T CB -0.355 68.472 68.868 -0.069 0.000 0.865 295 T HN 0.194 nan 8.240 nan 0.000 0.435 296 D N 1.225 121.636 120.400 0.017 0.000 2.104 296 D HA -0.039 4.606 4.640 0.009 0.000 0.194 296 D C 2.108 178.441 176.300 0.055 0.000 0.994 296 D CA 0.934 54.967 54.000 0.054 0.000 0.830 296 D CB -0.418 40.424 40.800 0.070 0.000 0.959 296 D HN 0.309 nan 8.370 nan 0.000 0.452 297 L N -0.407 120.832 121.223 0.027 0.000 2.131 297 L HA -0.078 4.267 4.340 0.009 0.000 0.206 297 L C 2.362 179.397 176.870 0.275 0.000 1.087 297 L CA 0.366 55.263 54.840 0.095 0.000 0.767 297 L CB -0.218 41.867 42.059 0.044 0.000 0.917 297 L HN -0.064 nan 8.230 nan 0.000 0.441 298 F N 0.781 120.773 119.950 0.069 0.000 2.134 298 F HA -0.103 4.429 4.527 0.009 0.000 0.299 298 F C 2.489 178.306 175.800 0.027 0.000 1.097 298 F CA 1.117 59.214 58.000 0.161 0.000 1.264 298 F CB -1.555 37.540 39.000 0.157 0.000 1.001 298 F HN 0.035 nan 8.300 nan 0.000 0.479 299 G N -0.676 108.220 108.800 0.159 0.000 2.446 299 G HA2 -0.298 3.667 3.960 0.009 0.000 0.217 299 G HA3 -0.298 3.667 3.960 0.009 0.000 0.217 299 G C 1.619 176.537 174.900 0.030 0.000 1.168 299 G CA 0.881 45.995 45.100 0.023 0.000 0.771 299 G HN 0.430 nan 8.290 nan 0.000 0.551 300 E N -0.161 120.083 120.200 0.074 0.000 2.077 300 E HA -0.119 4.236 4.350 0.009 0.000 0.193 300 E C 2.410 179.053 176.600 0.071 0.000 0.989 300 E CA 0.930 57.367 56.400 0.061 0.000 0.800 300 E CB -0.217 29.523 29.700 0.066 0.000 0.746 300 E HN 0.309 nan 8.360 nan 0.000 0.452 301 L N 1.674 122.976 121.223 0.131 0.000 2.017 301 L HA -0.169 4.176 4.340 0.009 0.000 0.208 301 L C 2.599 179.555 176.870 0.144 0.000 1.073 301 L CA 1.899 56.831 54.840 0.152 0.000 0.745 301 L CB -0.585 41.616 42.059 0.237 0.000 0.894 301 L HN 0.054 nan 8.230 nan 0.000 0.432 302 R N -0.555 120.010 120.500 0.109 0.000 2.070 302 R HA -0.181 4.165 4.340 0.009 0.000 0.233 302 R C 1.950 178.232 176.300 -0.029 0.000 1.137 302 R CA 1.981 58.063 56.100 -0.030 0.000 0.945 302 R CB -0.465 29.609 30.300 -0.378 0.000 0.845 302 R HN 0.419 nan 8.270 nan 0.000 0.430 303 D N -0.520 119.862 120.400 -0.030 0.000 2.116 303 D HA -0.150 4.495 4.640 0.009 0.000 0.193 303 D C 1.731 178.023 176.300 -0.013 0.000 0.998 303 D CA 1.708 55.696 54.000 -0.021 0.000 0.836 303 D CB -0.725 40.067 40.800 -0.013 0.000 0.951 303 D HN 0.525 nan 8.370 nan 0.000 0.449 304 G N 0.510 109.309 108.800 -0.001 0.000 2.421 304 G HA2 -0.166 3.799 3.960 0.009 0.000 0.216 304 G HA3 -0.166 3.799 3.960 0.009 0.000 0.216 304 G C 1.698 176.594 174.900 -0.007 0.000 1.171 304 G CA 1.347 46.444 45.100 -0.005 0.000 0.775 304 G HN 0.423 nan 8.290 nan 0.000 0.543 305 A N 0.573 123.397 122.820 0.007 0.000 1.969 305 A HA 0.059 4.384 4.320 0.009 0.000 0.218 305 A C 2.158 179.731 177.584 -0.018 0.000 1.169 305 A CA 1.793 53.830 52.037 -0.000 0.000 0.635 305 A CB -0.279 18.728 19.000 0.013 0.000 0.810 305 A HN 0.460 nan 8.150 nan 0.000 0.445 306 E N -0.103 120.088 120.200 -0.015 0.000 2.072 306 E HA -0.165 4.190 4.350 0.009 0.000 0.191 306 E C 1.415 177.991 176.600 -0.040 0.000 0.985 306 E CA 1.014 57.405 56.400 -0.014 0.000 0.801 306 E CB -0.190 29.510 29.700 0.000 0.000 0.750 306 E HN 0.497 nan 8.360 nan 0.000 0.452 307 D N 0.832 121.211 120.400 -0.034 0.000 2.106 307 D HA -0.220 4.425 4.640 0.009 0.000 0.191 307 D C 1.820 178.076 176.300 -0.073 0.000 0.997 307 D CA 1.183 55.157 54.000 -0.043 0.000 0.834 307 D CB -0.266 40.513 40.800 -0.035 0.000 0.956 307 D HN 0.232 nan 8.370 nan 0.000 0.448 308 E N 0.246 120.404 120.200 -0.069 0.000 2.077 308 E HA -0.173 4.182 4.350 0.009 0.000 0.193 308 E C 1.992 178.493 176.600 -0.165 0.000 0.989 308 E CA 1.155 57.505 56.400 -0.083 0.000 0.800 308 E CB -0.026 29.648 29.700 -0.044 0.000 0.746 308 E HN 0.194 nan 8.360 nan 0.000 0.452 309 A N 0.955 123.648 122.820 -0.211 0.000 1.877 309 A HA -0.156 4.169 4.320 0.009 0.000 0.216 309 A C 2.172 179.189 177.584 -0.946 0.000 1.186 309 A CA 1.340 53.101 52.037 -0.460 0.000 0.620 309 A CB -0.607 18.227 19.000 -0.278 0.000 0.822 309 A HN 0.343 nan 8.150 nan 0.000 0.443 310 I N -0.455 119.798 120.570 -0.528 0.000 2.315 310 I HA -0.200 3.975 4.170 0.009 0.000 0.248 310 I C 2.766 178.770 176.117 -0.189 0.000 1.117 310 I CA 1.389 62.509 61.300 -0.300 0.000 1.404 310 I CB -0.179 37.825 38.000 0.007 0.000 1.071 310 I HN 0.427 nan 8.210 nan 0.000 0.419 311 S N 0.343 115.941 115.700 -0.170 0.000 2.419 311 S HA -0.124 4.351 4.470 0.009 0.000 0.233 311 S C 1.980 176.524 174.600 -0.094 0.000 1.016 311 S CA 1.263 59.408 58.200 -0.093 0.000 0.974 311 S CB -0.130 63.023 63.200 -0.078 0.000 0.786 311 S HN 0.258 nan 8.310 nan 0.000 0.492 312 V N 1.091 120.887 119.914 -0.197 0.000 2.535 312 V HA 0.022 4.147 4.120 0.009 0.000 0.246 312 V C 2.061 178.173 176.094 0.029 0.000 1.045 312 V CA 1.307 63.537 62.300 -0.116 0.000 1.058 312 V CB -0.810 30.921 31.823 -0.154 0.000 0.689 312 V HN 0.468 nan 8.190 nan 0.000 0.461 313 F N 1.363 121.339 119.950 0.044 0.000 2.126 313 F HA -0.148 4.384 4.527 0.008 0.000 0.299 313 F C 2.506 178.333 175.800 0.046 0.000 1.096 313 F CA 1.075 59.103 58.000 0.046 0.000 1.255 313 F CB -1.654 37.377 39.000 0.051 0.000 0.997 313 F HN 0.140 nan 8.300 nan 0.000 0.479 314 A N 0.130 123.077 122.820 0.212 0.000 1.902 314 A HA -0.214 4.111 4.320 0.009 0.000 0.217 314 A C 2.296 179.960 177.584 0.133 0.000 1.181 314 A CA 1.927 54.053 52.037 0.149 0.000 0.623 314 A CB -0.691 18.368 19.000 0.098 0.000 0.818 314 A HN 0.269 nan 8.150 nan 0.000 0.443 315 R N 0.642 121.194 120.500 0.087 0.000 2.075 315 R HA -0.088 4.257 4.340 0.009 0.000 0.232 315 R C 1.566 177.928 176.300 0.105 0.000 1.126 315 R CA 2.132 58.266 56.100 0.056 0.000 0.963 315 R CB -0.784 29.518 30.300 0.003 0.000 0.858 315 R HN 0.492 nan 8.270 nan 0.000 0.435 316 N N 0.352 119.123 118.700 0.119 0.000 2.188 316 N HA -0.128 4.617 4.740 0.009 0.000 0.184 316 N C 1.494 177.071 175.510 0.111 0.000 1.018 316 N CA 1.323 54.441 53.050 0.113 0.000 0.858 316 N CB -0.371 38.195 38.487 0.131 0.000 0.989 316 N HN 0.237 nan 8.380 nan 0.000 0.426 317 L N 0.426 121.724 121.223 0.124 0.000 2.056 317 L HA -0.104 4.241 4.340 0.009 0.000 0.207 317 L C 2.175 179.102 176.870 0.094 0.000 1.078 317 L CA 1.756 56.651 54.840 0.091 0.000 0.749 317 L CB -0.856 41.255 42.059 0.087 0.000 0.901 317 L HN 0.260 nan 8.230 nan 0.000 0.433 318 H N -0.641 118.449 119.070 0.033 0.000 2.319 318 H HA -0.200 4.361 4.556 0.008 0.000 0.299 318 H C 1.785 177.123 175.328 0.017 0.000 1.092 318 H CA 2.213 58.274 56.048 0.022 0.000 1.302 318 H CB 0.061 29.835 29.762 0.021 0.000 1.373 318 H HN 0.402 nan 8.280 nan 0.000 0.497 319 D N 0.317 120.855 120.400 0.230 0.000 2.123 319 D HA -0.174 4.471 4.640 0.009 0.000 0.196 319 D C 2.429 178.771 176.300 0.070 0.000 0.992 319 D CA 1.193 55.277 54.000 0.139 0.000 0.833 319 D CB -0.345 40.509 40.800 0.090 0.000 0.954 319 D HN 0.431 nan 8.370 nan 0.000 0.455 320 L N 0.132 121.386 121.223 0.052 0.000 2.017 320 L HA -0.138 4.207 4.340 0.009 0.000 0.208 320 L C 2.564 179.433 176.870 -0.001 0.000 1.073 320 L CA 0.757 55.611 54.840 0.023 0.000 0.745 320 L CB -0.429 41.641 42.059 0.019 0.000 0.894 320 L HN 0.049 nan 8.230 nan 0.000 0.432 321 L N -0.618 120.588 121.223 -0.029 0.000 2.191 321 L HA -0.187 4.158 4.340 0.009 0.000 0.212 321 L C 1.972 178.801 176.870 -0.067 0.000 1.103 321 L CA 0.964 55.765 54.840 -0.064 0.000 0.769 321 L CB -0.199 41.793 42.059 -0.112 0.000 0.908 321 L HN 0.310 nan 8.230 nan 0.000 0.438 322 L N -0.608 120.580 121.223 -0.059 0.000 2.728 322 L HA 0.306 4.651 4.340 0.009 0.000 0.238 322 L C 1.036 177.917 176.870 0.018 0.000 1.143 322 L CA -0.602 54.219 54.840 -0.032 0.000 0.937 322 L CB 0.037 42.074 42.059 -0.037 0.000 1.225 322 L HN 0.063 nan 8.230 nan 0.000 0.507 323 A N 0.973 123.809 122.820 0.027 0.000 2.462 323 A HA 0.493 4.819 4.320 0.009 0.000 0.243 323 A C 0.834 178.462 177.584 0.074 0.000 1.076 323 A CA 0.023 52.090 52.037 0.050 0.000 0.773 323 A CB 0.235 19.267 19.000 0.053 0.000 1.010 323 A HN 0.291 nan 8.150 nan 0.000 0.493 324 A N 4.258 127.144 122.820 0.110 0.000 2.561 324 A HA 0.437 4.762 4.320 0.009 0.000 0.251 324 A C -2.153 175.556 177.584 0.208 0.000 1.062 324 A CA -0.568 51.573 52.037 0.174 0.000 0.761 324 A CB -0.788 18.351 19.000 0.232 0.000 0.986 324 A HN 0.615 nan 8.150 nan 0.000 0.510 325 P HA 0.283 nan 4.420 nan 0.000 0.276 325 P C 0.608 177.793 177.300 -0.191 0.000 1.230 325 P CA 0.262 63.344 63.100 -0.030 0.000 0.776 325 P CB 1.189 32.868 31.700 -0.034 0.000 0.888 326 A N 2.992 125.493 122.820 -0.533 0.000 2.119 326 A HA 0.365 4.690 4.320 0.009 0.000 0.217 326 A C 1.203 178.497 177.584 -0.484 0.000 1.153 326 A CA 1.254 52.629 52.037 -1.104 0.000 0.692 326 A CB -1.387 16.927 19.000 -1.144 0.000 0.799 326 A HN 0.808 nan 8.150 nan 0.000 0.458 327 G N -1.049 107.594 108.800 -0.262 0.000 2.681 327 G HA2 -0.122 3.843 3.960 0.009 0.000 0.220 327 G HA3 -0.122 3.843 3.960 0.009 0.000 0.220 327 G C -2.863 171.965 174.900 -0.120 0.000 1.353 327 G CA -0.331 44.685 45.100 -0.141 0.000 0.872 327 G HN 0.262 nan 8.290 nan 0.000 0.557 328 P HA 0.386 nan 4.420 nan 0.000 0.244 328 P C -0.224 177.043 177.300 -0.054 0.000 1.769 328 P CA 0.307 63.374 63.100 -0.055 0.000 1.102 328 P CB -0.244 31.436 31.700 -0.032 0.000 1.937 329 R N 1.559 122.015 120.500 -0.074 0.000 2.561 329 R HA 0.677 5.022 4.340 0.009 0.000 0.297 329 R C -0.196 176.072 176.300 -0.053 0.000 0.969 329 R CA -1.065 55.000 56.100 -0.059 0.000 0.879 329 R CB 2.024 32.279 30.300 -0.075 0.000 1.178 329 R HN 0.194 nan 8.270 nan 0.000 0.445 330 A N 2.156 124.957 122.820 -0.032 0.000 2.567 330 A HA 0.205 4.530 4.320 0.009 0.000 0.240 330 A C -0.224 177.340 177.584 -0.034 0.000 1.053 330 A CA 0.629 52.650 52.037 -0.028 0.000 0.755 330 A CB 0.111 19.108 19.000 -0.005 0.000 0.978 330 A HN 0.615 nan 8.150 nan 0.000 0.507 331 T N 2.648 117.175 114.554 -0.046 0.000 2.886 331 T HA 0.471 4.826 4.350 0.009 0.000 0.292 331 T C -0.792 173.876 174.700 -0.052 0.000 1.012 331 T CA -0.345 61.726 62.100 -0.047 0.000 0.982 331 T CB 1.237 70.069 68.868 -0.060 0.000 1.018 331 T HN 0.627 nan 8.240 nan 0.000 0.451 332 L N 3.229 124.427 121.223 -0.042 0.000 2.257 332 L HA 0.728 5.073 4.340 0.009 0.000 0.290 332 L C 0.405 177.245 176.870 -0.050 0.000 1.044 332 L CA 0.093 54.903 54.840 -0.049 0.000 0.810 332 L CB 0.402 42.438 42.059 -0.038 0.000 1.193 332 L HN 0.768 nan 8.230 nan 0.000 0.425 333 G N 6.289 115.051 108.800 -0.063 0.000 2.322 333 G HA2 0.554 4.520 3.960 0.009 0.000 0.309 333 G HA3 0.554 4.520 3.960 0.009 0.000 0.309 333 G C -1.062 173.800 174.900 -0.063 0.000 1.121 333 G CA -0.541 44.523 45.100 -0.060 0.000 0.886 333 G HN 0.573 nan 8.290 nan 0.000 0.447 334 L N 2.547 123.739 121.223 -0.051 0.000 2.319 334 L HA 0.326 4.671 4.340 0.009 0.000 0.281 334 L C -0.916 175.929 176.870 -0.041 0.000 1.005 334 L CA -0.911 53.897 54.840 -0.053 0.000 0.828 334 L CB 2.164 44.194 42.059 -0.047 0.000 1.227 334 L HN 0.380 nan 8.230 nan 0.000 0.415 335 D N 5.627 125.998 120.400 -0.049 0.000 2.443 335 D HA 0.323 4.968 4.640 0.009 0.000 0.221 335 D C -2.455 173.828 176.300 -0.029 0.000 1.097 335 D CA -1.774 52.204 54.000 -0.036 0.000 0.865 335 D CB 1.538 42.314 40.800 -0.040 0.000 1.034 335 D HN 0.103 nan 8.370 nan 0.000 0.511 336 P HA 0.455 nan 4.420 nan 0.000 0.274 336 P C -0.131 177.188 177.300 0.030 0.000 1.237 336 P CA -0.359 62.757 63.100 0.028 0.000 0.793 336 P CB 1.245 32.965 31.700 0.033 0.000 0.977 337 G N -0.129 108.717 108.800 0.076 0.000 2.523 337 G HA2 0.423 4.388 3.960 0.009 0.000 0.291 337 G HA3 0.423 4.388 3.960 0.009 0.000 0.291 337 G C -0.615 174.375 174.900 0.151 0.000 1.450 337 G CA -0.641 44.504 45.100 0.074 0.000 0.790 337 G HN 0.385 nan 8.290 nan 0.000 0.496 338 L N -0.374 120.927 121.223 0.129 0.000 2.737 338 L HA 0.242 4.587 4.340 0.009 0.000 0.182 338 L C 3.070 180.051 176.870 0.185 0.000 1.361 338 L CA 0.256 55.199 54.840 0.171 0.000 0.955 338 L CB -0.403 41.728 42.059 0.120 0.000 1.267 338 L HN 0.745 nan 8.230 nan 0.000 0.572 339 R N 0.442 121.028 120.500 0.145 0.000 2.120 339 R HA -0.109 4.237 4.340 0.009 0.000 0.234 339 R C 1.746 178.184 176.300 0.230 0.000 1.123 339 R CA 1.836 58.028 56.100 0.154 0.000 0.975 339 R CB -1.106 29.245 30.300 0.086 0.000 0.866 339 R HN 0.491 nan 8.270 nan 0.000 0.446 340 T N -2.606 112.052 114.554 0.173 0.000 3.148 340 T HA 0.307 4.662 4.350 0.009 0.000 0.253 340 T C 0.992 175.743 174.700 0.085 0.000 1.134 340 T CA 0.043 62.243 62.100 0.167 0.000 1.051 340 T CB -0.100 68.814 68.868 0.077 0.000 0.959 340 T HN 0.670 nan 8.240 nan 0.000 0.525 341 G N 0.707 109.543 108.800 0.060 0.000 0.000 341 G HA2 -0.113 3.852 3.960 0.009 0.000 0.000 341 G HA3 -0.113 3.852 3.960 0.009 0.000 0.000 341 G C -0.638 174.135 174.900 -0.211 0.000 0.000 341 G CA -0.560 44.378 45.100 -0.271 0.000 0.000 341 G HN 0.695 nan 8.290 nan 0.000 0.000 342 V N 1.219 120.961 119.914 -0.285 0.000 2.383 342 V HA 0.492 4.617 4.120 0.009 0.000 0.275 342 V C 0.509 176.476 176.094 -0.210 0.000 1.036 342 V CA -0.358 61.833 62.300 -0.182 0.000 0.889 342 V CB 1.400 33.115 31.823 -0.180 0.000 0.985 342 V HN 0.700 nan 8.190 nan 0.000 0.459 343 K N 3.533 123.846 120.400 -0.144 0.000 2.174 343 K HA 0.637 4.962 4.320 0.009 0.000 0.275 343 K C -0.764 175.766 176.600 -0.116 0.000 1.015 343 K CA -0.161 56.046 56.287 -0.133 0.000 0.933 343 K CB 1.585 34.025 32.500 -0.099 0.000 1.025 343 K HN 0.468 nan 8.250 nan 0.000 0.463 344 V N 1.517 121.359 119.914 -0.119 0.000 2.656 344 V HA 0.832 4.957 4.120 0.009 0.000 0.307 344 V C -0.825 175.204 176.094 -0.108 0.000 1.051 344 V CA -1.053 61.182 62.300 -0.108 0.000 0.893 344 V CB 1.722 33.480 31.823 -0.109 0.000 0.999 344 V HN 0.821 nan 8.190 nan 0.000 0.426 345 A N 3.680 126.435 122.820 -0.107 0.000 2.449 345 A HA 0.916 5.241 4.320 0.009 0.000 0.302 345 A C -1.300 176.214 177.584 -0.117 0.000 1.048 345 A CA -0.595 51.367 52.037 -0.125 0.000 0.708 345 A CB 2.142 21.054 19.000 -0.148 0.000 1.274 345 A HN 0.738 nan 8.150 nan 0.000 0.410 346 V N 2.461 122.290 119.914 -0.141 0.000 2.444 346 V HA 0.603 4.728 4.120 0.009 0.000 0.294 346 V C -0.096 175.891 176.094 -0.179 0.000 1.022 346 V CA -0.562 61.642 62.300 -0.160 0.000 0.850 346 V CB 1.218 32.910 31.823 -0.218 0.000 0.992 346 V HN 1.132 nan 8.190 nan 0.000 0.426 347 V N 1.152 120.990 119.914 -0.126 0.000 2.628 347 V HA 0.775 4.900 4.120 0.009 0.000 0.306 347 V C -0.144 175.901 176.094 -0.082 0.000 1.045 347 V CA -0.746 61.497 62.300 -0.095 0.000 0.905 347 V CB 1.824 33.614 31.823 -0.057 0.000 0.997 347 V HN 0.835 nan 8.190 nan 0.000 0.436 348 D N 4.009 124.370 120.400 -0.065 0.000 2.414 348 D HA 0.387 5.032 4.640 0.009 0.000 0.259 348 D C 1.319 177.601 176.300 -0.029 0.000 1.269 348 D CA 0.139 54.115 54.000 -0.039 0.000 1.028 348 D CB 1.015 41.802 40.800 -0.021 0.000 1.093 348 D HN 0.767 nan 8.370 nan 0.000 0.545 349 A N -0.766 122.042 122.820 -0.020 0.000 2.019 349 A HA -0.123 4.202 4.320 0.009 0.000 0.219 349 A C 2.027 179.597 177.584 -0.023 0.000 1.164 349 A CA 2.455 54.477 52.037 -0.024 0.000 0.644 349 A CB -1.332 17.659 19.000 -0.016 0.000 0.805 349 A HN 0.757 nan 8.150 nan 0.000 0.449 350 T N -4.855 109.690 114.554 -0.015 0.000 3.100 350 T HA 0.386 4.741 4.350 0.009 0.000 0.253 350 T C 1.391 176.086 174.700 -0.009 0.000 1.118 350 T CA 1.125 63.218 62.100 -0.010 0.000 1.058 350 T CB 0.090 68.956 68.868 -0.003 0.000 0.953 350 T HN 1.678 nan 8.240 nan 0.000 0.515 351 G N 1.193 109.986 108.800 -0.012 0.000 2.176 351 G HA2 -0.242 3.723 3.960 0.009 0.000 0.232 351 G HA3 -0.242 3.723 3.960 0.009 0.000 0.232 351 G C -0.053 174.864 174.900 0.027 0.000 0.986 351 G CA 0.061 45.160 45.100 -0.002 0.000 0.643 351 G HN 0.805 nan 8.290 nan 0.000 0.522 352 K N 0.660 121.072 120.400 0.020 0.000 2.379 352 K HA 0.486 4.811 4.320 0.009 0.000 0.284 352 K C 0.707 177.325 176.600 0.029 0.000 1.044 352 K CA -0.794 55.519 56.287 0.042 0.000 0.974 352 K CB 0.373 32.886 32.500 0.023 0.000 0.962 352 K HN 0.221 nan 8.250 nan 0.000 0.474 353 L N 5.509 126.785 121.223 0.088 0.000 2.490 353 L HA -0.001 4.345 4.340 0.009 0.000 0.274 353 L C 0.258 177.106 176.870 -0.038 0.000 1.201 353 L CA 0.789 55.640 54.840 0.019 0.000 0.869 353 L CB 0.456 42.554 42.059 0.066 0.000 1.123 353 L HN 0.818 nan 8.230 nan 0.000 0.484 354 L N 2.500 123.635 121.223 -0.146 0.000 2.685 354 L HA 0.432 4.777 4.340 0.009 0.000 0.235 354 L C -0.301 176.449 176.870 -0.201 0.000 1.070 354 L CA -0.007 54.693 54.840 -0.234 0.000 0.888 354 L CB 0.270 41.987 42.059 -0.570 0.000 1.203 354 L HN 0.607 nan 8.230 nan 0.000 0.499 355 D N -0.926 119.365 120.400 -0.181 0.000 2.728 355 D HA 0.357 5.002 4.640 0.009 0.000 0.249 355 D C -1.071 175.168 176.300 -0.100 0.000 1.225 355 D CA 0.095 54.037 54.000 -0.096 0.000 0.748 355 D CB 2.380 43.156 40.800 -0.040 0.000 1.326 355 D HN -0.017 nan 8.370 nan 0.000 0.426 356 T N -1.827 112.684 114.554 -0.071 0.000 2.841 356 T HA 0.982 5.337 4.350 0.009 0.000 0.296 356 T C -1.024 173.638 174.700 -0.064 0.000 1.166 356 T CA -0.636 61.413 62.100 -0.085 0.000 1.007 356 T CB 2.182 70.990 68.868 -0.101 0.000 1.253 356 T HN 0.692 nan 8.240 nan 0.000 0.511 357 A N 0.269 123.042 122.820 -0.078 0.000 2.586 357 A HA 0.744 5.069 4.320 0.009 0.000 0.291 357 A C -0.866 176.652 177.584 -0.110 0.000 1.062 357 A CA -0.917 51.075 52.037 -0.075 0.000 0.666 357 A CB 1.243 20.202 19.000 -0.069 0.000 1.281 357 A HN 0.959 nan 8.150 nan 0.000 0.421 358 T N 1.219 115.699 114.554 -0.123 0.000 2.841 358 T HA 0.636 4.991 4.350 0.009 0.000 0.285 358 T C -0.379 174.131 174.700 -0.315 0.000 0.991 358 T CA -0.142 61.817 62.100 -0.235 0.000 0.966 358 T CB 1.010 69.757 68.868 -0.201 0.000 0.962 358 T HN 1.730 nan 8.240 nan 0.000 0.438 359 V N 1.109 120.757 119.914 -0.443 0.000 2.960 359 V HA 0.712 4.837 4.120 0.009 0.000 0.315 359 V C -1.573 174.163 176.094 -0.597 0.000 1.087 359 V CA -1.117 60.964 62.300 -0.364 0.000 0.982 359 V CB 1.740 33.431 31.823 -0.221 0.000 1.039 359 V HN 0.839 nan 8.190 nan 0.000 0.437 360 Y N 2.420 122.660 120.300 -0.101 0.000 2.495 360 Y HA 0.460 5.015 4.550 0.009 0.000 0.362 360 Y C -1.923 173.905 175.900 -0.121 0.000 0.956 360 Y CA -2.054 55.989 58.100 -0.094 0.000 1.127 360 Y CB 1.069 39.509 38.460 -0.033 0.000 1.173 360 Y HN 0.515 nan 8.280 nan 0.000 0.639 361 P HA -0.122 nan 4.420 nan 0.000 0.221 361 P C 0.172 177.483 177.300 0.017 0.000 1.150 361 P CA 1.593 64.559 63.100 -0.223 0.000 0.800 361 P CB 0.571 31.872 31.700 -0.666 0.000 0.787 362 H N -0.182 119.011 119.070 0.204 0.000 2.580 362 H HA 0.537 5.098 4.556 0.008 0.000 0.324 362 H C 0.482 175.911 175.328 0.168 0.000 1.436 362 H CA -1.230 54.950 56.048 0.221 0.000 1.464 362 H CB -0.252 29.609 29.762 0.166 0.000 1.752 362 H HN -0.022 nan 8.280 nan 0.000 0.726 363 A N 1.714 124.702 122.820 0.281 0.000 2.531 363 A HA 0.109 4.434 4.320 0.009 0.000 0.236 363 A C -1.394 176.284 177.584 0.156 0.000 1.062 363 A CA -0.697 51.439 52.037 0.165 0.000 0.760 363 A CB -0.188 18.880 19.000 0.114 0.000 0.995 363 A HN 0.556 nan 8.150 nan 0.000 0.501 364 P HA 0.057 nan 4.420 nan 0.000 0.245 364 P C 0.754 178.093 177.300 0.064 0.000 1.203 364 P CA 0.698 63.842 63.100 0.072 0.000 0.792 364 P CB 0.301 32.025 31.700 0.041 0.000 0.997 365 K N 0.129 120.574 120.400 0.075 0.000 2.155 365 K HA 0.013 4.338 4.320 0.009 0.000 0.203 365 K C 0.367 177.020 176.600 0.089 0.000 1.052 365 K CA 0.334 56.650 56.287 0.048 0.000 0.948 365 K CB -0.428 32.081 32.500 0.013 0.000 0.728 365 K HN 0.005 nan 8.250 nan 0.000 0.448 366 N N 1.942 120.726 118.700 0.140 0.000 2.725 366 N HA -0.198 4.547 4.740 0.009 0.000 0.251 366 N C -0.923 174.694 175.510 0.178 0.000 1.031 366 N CA 0.791 53.946 53.050 0.174 0.000 0.720 366 N CB -1.253 37.309 38.487 0.125 0.000 0.930 366 N HN 0.447 nan 8.380 nan 0.000 0.543 367 Q N -0.624 119.275 119.800 0.164 0.000 3.122 367 Q HA 0.062 4.407 4.340 0.009 0.000 0.360 367 Q C 1.099 177.193 176.000 0.156 0.000 1.300 367 Q CA -0.385 55.503 55.803 0.142 0.000 0.982 367 Q CB 0.146 28.952 28.738 0.112 0.000 1.534 367 Q HN 0.452 nan 8.270 nan 0.000 0.474 368 W N 1.437 122.744 121.300 0.011 0.000 2.380 368 W HA -0.180 4.485 4.660 0.008 0.000 0.317 368 W C 0.482 177.009 176.519 0.012 0.000 1.196 368 W CA 1.625 58.973 57.345 0.005 0.000 1.307 368 W CB 0.200 29.677 29.460 0.029 0.000 1.157 368 W HN 0.419 nan 8.180 nan 0.000 0.483 369 D N 0.246 120.844 120.400 0.331 0.000 2.117 369 D HA -0.198 4.447 4.640 0.009 0.000 0.197 369 D C 2.050 178.401 176.300 0.085 0.000 0.987 369 D CA 1.710 55.833 54.000 0.205 0.000 0.829 369 D CB -0.508 40.406 40.800 0.188 0.000 0.961 369 D HN 0.255 nan 8.370 nan 0.000 0.460 370 Q N -0.128 119.715 119.800 0.073 0.000 2.096 370 Q HA -0.099 4.246 4.340 0.009 0.000 0.204 370 Q C 2.212 178.208 176.000 -0.007 0.000 0.982 370 Q CA 1.646 57.471 55.803 0.038 0.000 0.850 370 Q CB -0.518 28.247 28.738 0.046 0.000 0.901 370 Q HN 0.187 nan 8.270 nan 0.000 0.422 371 T N 0.689 115.212 114.554 -0.053 0.000 2.737 371 T HA -0.069 4.286 4.350 0.009 0.000 0.265 371 T C 1.749 176.365 174.700 -0.141 0.000 1.038 371 T CA 0.856 62.878 62.100 -0.130 0.000 1.144 371 T CB -0.271 68.453 68.868 -0.240 0.000 0.866 371 T HN 0.147 nan 8.240 nan 0.000 0.434 372 L N 0.745 121.875 121.223 -0.156 0.000 2.042 372 L HA -0.177 4.168 4.340 0.009 0.000 0.210 372 L C 3.007 179.882 176.870 0.008 0.000 1.076 372 L CA 1.407 56.195 54.840 -0.086 0.000 0.749 372 L CB -0.642 41.395 42.059 -0.038 0.000 0.893 372 L HN 0.259 nan 8.230 nan 0.000 0.432 373 A N -0.633 122.202 122.820 0.026 0.000 1.902 373 A HA -0.159 4.166 4.320 0.009 0.000 0.217 373 A C 2.324 179.897 177.584 -0.019 0.000 1.181 373 A CA 1.806 53.864 52.037 0.034 0.000 0.623 373 A CB -0.811 18.214 19.000 0.042 0.000 0.818 373 A HN 0.205 nan 8.150 nan 0.000 0.443 374 V N 0.231 120.125 119.914 -0.033 0.000 2.295 374 V HA -0.267 3.858 4.120 0.009 0.000 0.246 374 V C 2.598 178.656 176.094 -0.060 0.000 1.049 374 V CA 2.068 64.341 62.300 -0.045 0.000 1.024 374 V CB -0.748 31.046 31.823 -0.049 0.000 0.648 374 V HN 0.584 nan 8.190 nan 0.000 0.447 375 L N -0.039 121.141 121.223 -0.072 0.000 2.046 375 L HA -0.151 4.194 4.340 0.009 0.000 0.208 375 L C 2.775 179.593 176.870 -0.087 0.000 1.077 375 L CA 1.574 56.369 54.840 -0.075 0.000 0.747 375 L CB -0.978 41.029 42.059 -0.086 0.000 0.896 375 L HN 0.361 nan 8.230 nan 0.000 0.432 376 A N 0.405 123.159 122.820 -0.110 0.000 1.883 376 A HA -0.240 4.085 4.320 0.009 0.000 0.217 376 A C 2.568 180.002 177.584 -0.250 0.000 1.186 376 A CA 2.089 53.971 52.037 -0.259 0.000 0.624 376 A CB -0.841 17.913 19.000 -0.409 0.000 0.822 376 A HN 0.414 nan 8.150 nan 0.000 0.444 377 A N -0.548 122.172 122.820 -0.166 0.000 1.908 377 A HA -0.062 4.263 4.320 0.009 0.000 0.218 377 A C 2.215 179.733 177.584 -0.110 0.000 1.181 377 A CA 1.585 53.541 52.037 -0.134 0.000 0.627 377 A CB -0.606 18.342 19.000 -0.086 0.000 0.818 377 A HN 0.485 nan 8.150 nan 0.000 0.445 378 L N -1.004 120.183 121.223 -0.060 0.000 2.056 378 L HA -0.236 4.109 4.340 0.009 0.000 0.207 378 L C 2.753 179.646 176.870 0.039 0.000 1.078 378 L CA 1.305 56.161 54.840 0.027 0.000 0.749 378 L CB -0.602 41.486 42.059 0.049 0.000 0.901 378 L HN 0.496 nan 8.230 nan 0.000 0.433 379 C N -0.491 118.792 119.300 -0.028 0.000 2.429 379 C HA -0.165 4.300 4.460 0.009 0.000 0.277 379 C C 3.114 178.073 174.990 -0.052 0.000 1.262 379 C CA 0.753 59.754 59.018 -0.028 0.000 1.733 379 C CB -1.031 26.673 27.740 -0.061 0.000 2.010 379 C HN 0.627 nan 8.230 nan 0.000 0.483 380 A N 1.665 124.417 122.820 -0.114 0.000 1.855 380 A HA -0.198 4.127 4.320 0.009 0.000 0.215 380 A C 2.149 179.656 177.584 -0.129 0.000 1.191 380 A CA 1.928 53.890 52.037 -0.125 0.000 0.613 380 A CB -0.598 18.303 19.000 -0.165 0.000 0.829 380 A HN 0.804 nan 8.150 nan 0.000 0.442 381 K N -1.789 118.491 120.400 -0.200 0.000 2.439 381 K HA -0.076 4.249 4.320 0.009 0.000 0.197 381 K C 0.602 176.949 176.600 -0.421 0.000 1.041 381 K CA 1.330 57.429 56.287 -0.313 0.000 0.970 381 K CB -0.189 32.067 32.500 -0.406 0.000 0.773 381 K HN 0.586 nan 8.250 nan 0.000 0.479 382 H N 0.720 119.765 119.070 -0.041 0.000 2.784 382 H HA 0.137 4.698 4.556 0.008 0.000 0.273 382 H C -0.388 174.922 175.328 -0.031 0.000 1.112 382 H CA -0.132 55.896 56.048 -0.033 0.000 1.162 382 H CB 0.748 30.490 29.762 -0.034 0.000 1.586 382 H HN 0.171 nan 8.280 nan 0.000 0.548 383 Q N 0.118 119.943 119.800 0.041 0.000 2.439 383 Q HA -0.129 4.216 4.340 0.009 0.000 0.325 383 Q C -0.252 175.766 176.000 0.030 0.000 1.372 383 Q CA 0.194 56.010 55.803 0.021 0.000 0.909 383 Q CB -2.335 26.413 28.738 0.017 0.000 1.167 383 Q HN 0.150 nan 8.270 nan 0.000 0.418 384 V N 0.509 120.442 119.914 0.031 0.000 2.673 384 V HA -0.089 4.036 4.120 0.009 0.000 0.303 384 V C 1.555 177.655 176.094 0.010 0.000 1.046 384 V CA 0.872 63.182 62.300 0.017 0.000 1.126 384 V CB 1.130 32.960 31.823 0.011 0.000 0.934 384 V HN 0.498 nan 8.190 nan 0.000 0.487 385 E N 3.184 123.388 120.200 0.007 0.000 2.332 385 E HA 0.301 4.656 4.350 0.009 0.000 0.202 385 E C -0.299 176.314 176.600 0.022 0.000 0.877 385 E CA 0.072 56.481 56.400 0.015 0.000 0.979 385 E CB 0.586 30.293 29.700 0.013 0.000 0.969 385 E HN 0.510 nan 8.360 nan 0.000 0.495 386 L N 1.787 123.015 121.223 0.009 0.000 2.362 386 L HA 0.511 4.856 4.340 0.009 0.000 0.271 386 L C -0.631 176.242 176.870 0.006 0.000 1.002 386 L CA -0.737 54.113 54.840 0.016 0.000 0.818 386 L CB 2.213 44.268 42.059 -0.007 0.000 1.298 386 L HN -0.049 nan 8.230 nan 0.000 0.420 387 I N 2.420 123.002 120.570 0.019 0.000 2.355 387 I HA 0.481 4.656 4.170 0.009 0.000 0.288 387 I C 0.095 176.218 176.117 0.010 0.000 0.999 387 I CA -0.410 60.894 61.300 0.006 0.000 1.163 387 I CB 1.809 39.813 38.000 0.007 0.000 1.316 387 I HN 0.606 nan 8.210 nan 0.000 0.454 388 A N 8.286 131.102 122.820 -0.007 0.000 2.260 388 A HA 0.790 5.115 4.320 0.009 0.000 0.314 388 A C -0.471 177.107 177.584 -0.011 0.000 1.257 388 A CA -0.358 51.676 52.037 -0.005 0.000 0.871 388 A CB 0.275 19.262 19.000 -0.021 0.000 1.166 388 A HN 0.704 nan 8.150 nan 0.000 0.522 389 I N 2.813 123.383 120.570 -0.000 0.000 2.418 389 I HA 0.393 4.568 4.170 0.009 0.000 0.287 389 I C 0.938 177.053 176.117 -0.003 0.000 1.008 389 I CA -0.614 60.684 61.300 -0.003 0.000 1.104 389 I CB 1.989 39.991 38.000 0.004 0.000 1.264 389 I HN 0.725 nan 8.210 nan 0.000 0.438 390 G N 3.379 112.173 108.800 -0.009 0.000 2.483 390 G HA2 0.041 4.006 3.960 0.009 0.000 0.248 390 G HA3 0.041 4.006 3.960 0.009 0.000 0.248 390 G C 0.576 175.473 174.900 -0.006 0.000 1.248 390 G CA -0.440 44.654 45.100 -0.009 0.000 0.838 390 G HN 0.827 nan 8.290 nan 0.000 0.566 391 N N 1.575 120.271 118.700 -0.007 0.000 2.322 391 N HA 0.119 4.864 4.740 0.009 0.000 0.216 391 N C 0.966 176.469 175.510 -0.012 0.000 1.144 391 N CA 0.090 53.136 53.050 -0.007 0.000 0.830 391 N CB 0.361 38.844 38.487 -0.006 0.000 1.034 391 N HN 0.474 nan 8.380 nan 0.000 0.484 392 G N -0.041 108.752 108.800 -0.012 0.000 2.735 392 G HA2 0.172 4.138 3.960 0.009 0.000 0.192 392 G HA3 0.172 4.138 3.960 0.009 0.000 0.192 392 G C -0.462 174.429 174.900 -0.015 0.000 1.547 392 G CA -0.359 44.733 45.100 -0.014 0.000 1.080 392 G HN 0.209 nan 8.290 nan 0.000 0.569 393 T N 0.726 115.273 114.554 -0.012 0.000 2.888 393 T HA 0.402 4.757 4.350 0.009 0.000 0.301 393 T C 1.073 175.767 174.700 -0.011 0.000 1.001 393 T CA 1.308 63.400 62.100 -0.012 0.000 1.147 393 T CB 0.923 69.789 68.868 -0.004 0.000 0.931 393 T HN 1.753 nan 8.240 nan 0.000 0.541 394 A N 2.573 125.373 122.820 -0.034 0.000 2.899 394 A HA -0.232 4.093 4.320 0.009 0.000 0.257 394 A C 1.932 179.470 177.584 -0.076 0.000 1.335 394 A CA 1.316 53.303 52.037 -0.083 0.000 0.924 394 A CB -2.620 16.347 19.000 -0.055 0.000 1.105 394 A HN 1.209 nan 8.150 nan 0.000 0.765 395 S N -0.212 115.467 115.700 -0.036 0.000 2.382 395 S HA -0.214 4.261 4.470 0.009 0.000 0.228 395 S C 1.816 176.404 174.600 -0.020 0.000 1.027 395 S CA 1.355 59.545 58.200 -0.017 0.000 0.991 395 S CB -0.411 62.783 63.200 -0.011 0.000 0.823 395 S HN 0.861 nan 8.310 nan 0.000 0.469 396 R N 1.387 121.868 120.500 -0.033 0.000 2.081 396 R HA -0.098 4.247 4.340 0.009 0.000 0.235 396 R C 2.023 178.314 176.300 -0.015 0.000 1.131 396 R CA 1.770 57.859 56.100 -0.019 0.000 0.960 396 R CB -0.268 30.019 30.300 -0.023 0.000 0.856 396 R HN 0.472 nan 8.270 nan 0.000 0.436 397 E N -0.689 119.458 120.200 -0.089 0.000 2.150 397 E HA -0.089 4.266 4.350 0.009 0.000 0.193 397 E C 1.800 178.420 176.600 0.033 0.000 0.985 397 E CA 1.786 58.123 56.400 -0.104 0.000 0.814 397 E CB 0.006 29.408 29.700 -0.498 0.000 0.752 397 E HN 0.331 nan 8.360 nan 0.000 0.466 398 T N 0.356 114.917 114.554 0.012 0.000 2.896 398 T HA -0.129 4.226 4.350 0.009 0.000 0.263 398 T C 1.496 176.231 174.700 0.058 0.000 1.050 398 T CA 1.324 63.499 62.100 0.125 0.000 1.140 398 T CB -0.294 68.646 68.868 0.121 0.000 0.877 398 T HN 0.175 nan 8.240 nan 0.000 0.457 399 D N 1.200 121.628 120.400 0.047 0.000 2.123 399 D HA -0.150 4.496 4.640 0.009 0.000 0.196 399 D C 2.103 178.448 176.300 0.076 0.000 0.992 399 D CA 1.194 55.221 54.000 0.046 0.000 0.833 399 D CB -0.102 40.720 40.800 0.036 0.000 0.954 399 D HN 0.172 nan 8.370 nan 0.000 0.455 400 K N 0.029 120.502 120.400 0.121 0.000 2.063 400 K HA -0.138 4.187 4.320 0.009 0.000 0.208 400 K C 2.052 178.800 176.600 0.246 0.000 1.048 400 K CA 1.133 57.541 56.287 0.202 0.000 0.928 400 K CB -0.821 31.848 32.500 0.282 0.000 0.713 400 K HN 0.283 nan 8.250 nan 0.000 0.442 401 L N 0.328 121.637 121.223 0.143 0.000 1.994 401 L HA -0.006 4.339 4.340 0.009 0.000 0.208 401 L C 2.207 179.029 176.870 -0.079 0.000 1.071 401 L CA 2.262 56.998 54.840 -0.173 0.000 0.745 401 L CB -1.061 40.700 42.059 -0.498 0.000 0.892 401 L HN 0.234 nan 8.230 nan 0.000 0.431 402 A N -0.306 122.493 122.820 -0.035 0.000 1.908 402 A HA -0.115 4.210 4.320 0.009 0.000 0.218 402 A C 2.358 179.965 177.584 0.038 0.000 1.181 402 A CA 1.654 53.687 52.037 -0.006 0.000 0.627 402 A CB -1.746 17.255 19.000 0.003 0.000 0.818 402 A HN 0.575 nan 8.150 nan 0.000 0.445 403 G N -0.500 108.338 108.800 0.063 0.000 2.469 403 G HA2 -0.254 3.711 3.960 0.009 0.000 0.219 403 G HA3 -0.254 3.711 3.960 0.009 0.000 0.219 403 G C 1.398 176.353 174.900 0.092 0.000 1.150 403 G CA 1.063 46.210 45.100 0.079 0.000 0.763 403 G HN 0.528 nan 8.290 nan 0.000 0.561 404 E N -0.166 120.110 120.200 0.127 0.000 2.208 404 E HA -0.024 4.331 4.350 0.009 0.000 0.193 404 E C 2.458 179.118 176.600 0.101 0.000 0.988 404 E CA 0.346 56.833 56.400 0.146 0.000 0.828 404 E CB -0.171 29.698 29.700 0.282 0.000 0.763 404 E HN 0.422 nan 8.360 nan 0.000 0.478 405 L N 0.961 122.233 121.223 0.082 0.000 2.005 405 L HA -0.085 4.260 4.340 0.009 0.000 0.207 405 L C 2.184 179.144 176.870 0.151 0.000 1.072 405 L CA 1.340 56.255 54.840 0.125 0.000 0.744 405 L CB -0.462 41.642 42.059 0.074 0.000 0.895 405 L HN -0.006 nan 8.230 nan 0.000 0.433 406 I N -0.234 120.396 120.570 0.100 0.000 2.163 406 I HA -0.361 3.814 4.170 0.009 0.000 0.243 406 I C 2.613 178.776 176.117 0.077 0.000 1.085 406 I CA 1.823 63.178 61.300 0.092 0.000 1.347 406 I CB -0.428 37.612 38.000 0.067 0.000 1.044 406 I HN 0.347 nan 8.210 nan 0.000 0.408 407 K N 1.359 121.792 120.400 0.056 0.000 2.009 407 K HA -0.260 4.065 4.320 0.009 0.000 0.210 407 K C 2.250 178.838 176.600 -0.020 0.000 1.049 407 K CA 1.741 58.044 56.287 0.026 0.000 0.929 407 K CB -0.113 32.407 32.500 0.033 0.000 0.714 407 K HN 0.086 nan 8.250 nan 0.000 0.440 408 K N -0.766 119.594 120.400 -0.066 0.000 2.283 408 K HA -0.117 4.208 4.320 0.009 0.000 0.202 408 K C -0.234 176.090 176.600 -0.460 0.000 1.048 408 K CA 0.961 57.081 56.287 -0.278 0.000 0.948 408 K CB 0.217 32.500 32.500 -0.362 0.000 0.742 408 K HN 0.175 nan 8.250 nan 0.000 0.458 409 Y N -0.417 119.896 120.300 0.020 0.000 2.511 409 Y HA 0.257 4.812 4.550 0.008 0.000 0.356 409 Y C -2.151 173.758 175.900 0.014 0.000 1.002 409 Y CA -2.333 55.775 58.100 0.014 0.000 1.127 409 Y CB 1.328 39.793 38.460 0.009 0.000 1.137 409 Y HN 0.074 nan 8.280 nan 0.000 0.652 410 P HA -0.164 nan 4.420 nan 0.000 0.216 410 P C 1.891 179.239 177.300 0.080 0.000 1.150 410 P CA 1.944 65.090 63.100 0.077 0.000 0.843 410 P CB 0.325 32.052 31.700 0.045 0.000 0.787 411 G N -0.507 108.349 108.800 0.094 0.000 2.485 411 G HA2 -0.266 3.699 3.960 0.009 0.000 0.221 411 G HA3 -0.266 3.699 3.960 0.009 0.000 0.221 411 G C 1.389 176.325 174.900 0.060 0.000 1.115 411 G CA 0.778 45.922 45.100 0.073 0.000 0.751 411 G HN 0.250 nan 8.290 nan 0.000 0.567 412 M N -0.241 119.402 119.600 0.072 0.000 2.476 412 M HA 0.076 4.561 4.480 0.009 0.000 0.262 412 M C 0.543 176.866 176.300 0.038 0.000 1.079 412 M CA 0.620 55.944 55.300 0.039 0.000 1.104 412 M CB 0.031 32.645 32.600 0.023 0.000 1.409 412 M HN -0.037 nan 8.290 nan 0.000 0.467 413 K N 1.326 121.755 120.400 0.049 0.000 3.150 413 K HA -0.147 4.178 4.320 0.009 0.000 0.267 413 K C -0.814 175.813 176.600 0.045 0.000 1.028 413 K CA 0.607 56.920 56.287 0.044 0.000 0.753 413 K CB -2.614 29.908 32.500 0.036 0.000 1.288 413 K HN 0.423 nan 8.250 nan 0.000 0.473 414 L N 0.454 121.707 121.223 0.049 0.000 2.395 414 L HA 0.283 4.628 4.340 0.009 0.000 0.269 414 L C 0.902 177.804 176.870 0.054 0.000 1.133 414 L CA -0.133 54.735 54.840 0.047 0.000 0.812 414 L CB 1.127 43.213 42.059 0.044 0.000 1.125 414 L HN 0.035 nan 8.230 nan 0.000 0.452 415 T N 1.472 116.061 114.554 0.059 0.000 2.861 415 T HA 0.400 4.755 4.350 0.009 0.000 0.287 415 T C -0.703 174.038 174.700 0.069 0.000 1.003 415 T CA -0.902 61.241 62.100 0.072 0.000 0.977 415 T CB 1.605 70.534 68.868 0.103 0.000 0.996 415 T HN 0.522 nan 8.240 nan 0.000 0.448 416 K N 2.194 122.632 120.400 0.063 0.000 2.221 416 K HA 0.794 5.119 4.320 0.009 0.000 0.258 416 K C -1.346 175.292 176.600 0.064 0.000 0.944 416 K CA -0.852 55.468 56.287 0.054 0.000 0.823 416 K CB 1.252 33.776 32.500 0.040 0.000 1.113 416 K HN 0.343 nan 8.250 nan 0.000 0.431 417 I N 2.903 123.512 120.570 0.066 0.000 2.533 417 I HA 0.228 4.403 4.170 0.009 0.000 0.290 417 I C -0.585 175.561 176.117 0.048 0.000 1.056 417 I CA -0.913 60.431 61.300 0.073 0.000 1.057 417 I CB 2.055 40.135 38.000 0.134 0.000 1.240 417 I HN 0.601 nan 8.210 nan 0.000 0.423 418 M N 5.556 125.177 119.600 0.036 0.000 2.219 418 M HA 0.371 4.856 4.480 0.009 0.000 0.353 418 M C -0.347 175.967 176.300 0.025 0.000 1.304 418 M CA 0.015 55.329 55.300 0.023 0.000 1.115 418 M CB 0.820 33.428 32.600 0.014 0.000 1.664 418 M HN 0.412 nan 8.290 nan 0.000 0.459 419 V N 2.253 122.177 119.914 0.015 0.000 3.040 419 V HA 0.521 4.646 4.120 0.009 0.000 0.312 419 V C -0.260 175.835 176.094 0.002 0.000 1.115 419 V CA -0.661 61.647 62.300 0.013 0.000 0.998 419 V CB 2.562 34.390 31.823 0.009 0.000 1.042 419 V HN 0.963 nan 8.190 nan 0.000 0.433 420 S N 2.031 117.731 115.700 0.000 0.000 2.576 420 S HA 0.249 4.724 4.470 0.009 0.000 0.276 420 S C 0.740 175.334 174.600 -0.011 0.000 1.339 420 S CA -0.086 58.112 58.200 -0.004 0.000 1.039 420 S CB 0.739 63.938 63.200 -0.002 0.000 0.902 420 S HN 0.817 nan 8.310 nan 0.000 0.516 421 E N 2.388 122.581 120.200 -0.012 0.000 2.479 421 E HA 0.123 4.478 4.350 0.009 0.000 0.193 421 E C 0.591 177.185 176.600 -0.010 0.000 1.049 421 E CA -0.074 56.319 56.400 -0.012 0.000 0.870 421 E CB 0.019 29.712 29.700 -0.011 0.000 0.944 421 E HN 0.733 nan 8.360 nan 0.000 0.492 422 A N 1.197 124.009 122.820 -0.013 0.000 2.558 422 A HA 0.163 4.488 4.320 0.009 0.000 0.262 422 A C 1.447 179.027 177.584 -0.005 0.000 1.049 422 A CA 1.059 53.087 52.037 -0.014 0.000 0.804 422 A CB -0.816 18.175 19.000 -0.014 0.000 0.957 422 A HN 0.401 nan 8.150 nan 0.000 0.520 423 G N 1.135 109.938 108.800 0.006 0.000 2.179 423 G HA2 -0.057 3.908 3.960 0.009 0.000 0.260 423 G HA3 -0.057 3.908 3.960 0.009 0.000 0.260 423 G C 1.190 176.134 174.900 0.072 0.000 0.977 423 G CA 1.147 46.267 45.100 0.033 0.000 0.641 423 G HN 2.000 nan 8.290 nan 0.000 0.533 424 A N 0.801 123.654 122.820 0.054 0.000 1.877 424 A HA 0.168 4.494 4.320 0.009 0.000 0.216 424 A C 2.753 180.423 177.584 0.144 0.000 1.186 424 A CA 2.859 54.953 52.037 0.094 0.000 0.620 424 A CB -0.853 18.171 19.000 0.040 0.000 0.822 424 A HN 1.695 nan 8.150 nan 0.000 0.443 425 S N -0.522 115.222 115.700 0.074 0.000 2.368 425 S HA -0.103 4.372 4.470 0.009 0.000 0.224 425 S C 1.770 176.399 174.600 0.048 0.000 1.029 425 S CA 1.308 59.537 58.200 0.050 0.000 0.988 425 S CB -0.966 62.244 63.200 0.016 0.000 0.838 425 S HN 0.226 nan 8.310 nan 0.000 0.462 426 V N 1.447 121.395 119.914 0.057 0.000 2.332 426 V HA -0.190 3.935 4.120 0.009 0.000 0.248 426 V C 2.290 178.426 176.094 0.069 0.000 1.055 426 V CA 2.211 64.543 62.300 0.052 0.000 1.038 426 V CB -1.122 30.736 31.823 0.057 0.000 0.651 426 V HN 0.680 nan 8.190 nan 0.000 0.450 427 Y N 2.068 122.374 120.300 0.010 0.000 2.114 427 Y HA -0.330 4.226 4.550 0.009 0.000 0.282 427 Y C 2.817 178.733 175.900 0.027 0.000 1.165 427 Y CA 2.318 60.430 58.100 0.020 0.000 1.148 427 Y CB -0.445 38.027 38.460 0.020 0.000 0.972 427 Y HN 0.370 nan 8.280 nan 0.000 0.504 428 S N 0.210 115.802 115.700 -0.181 0.000 2.419 428 S HA -0.100 4.376 4.470 0.009 0.000 0.233 428 S C 1.863 176.322 174.600 -0.234 0.000 1.016 428 S CA 0.756 58.781 58.200 -0.292 0.000 0.974 428 S CB -0.792 62.384 63.200 -0.040 0.000 0.786 428 S HN 0.546 nan 8.310 nan 0.000 0.492 429 A N 1.438 124.173 122.820 -0.142 0.000 2.275 429 A HA 0.468 4.793 4.320 0.009 0.000 0.212 429 A C 1.190 178.717 177.584 -0.096 0.000 1.201 429 A CA 0.205 52.186 52.037 -0.092 0.000 0.843 429 A CB -0.434 18.540 19.000 -0.044 0.000 0.873 429 A HN 0.676 nan 8.150 nan 0.000 0.492 430 S N -0.885 114.725 115.700 -0.149 0.000 2.652 430 S HA 0.310 4.785 4.470 0.009 0.000 0.270 430 S C 0.568 175.107 174.600 -0.101 0.000 1.243 430 S CA -0.109 58.031 58.200 -0.101 0.000 0.999 430 S CB 1.020 64.174 63.200 -0.076 0.000 0.973 430 S HN 0.386 nan 8.310 nan 0.000 0.544 431 E N -0.178 119.990 120.200 -0.053 0.000 2.110 431 E HA -0.118 4.237 4.350 0.009 0.000 0.193 431 E C 1.722 178.295 176.600 -0.044 0.000 0.988 431 E CA 0.888 57.263 56.400 -0.041 0.000 0.804 431 E CB -0.269 29.419 29.700 -0.020 0.000 0.745 431 E HN 0.581 nan 8.360 nan 0.000 0.458 432 L N 1.089 122.293 121.223 -0.033 0.000 1.989 432 L HA -0.175 4.170 4.340 0.009 0.000 0.211 432 L C 2.215 179.063 176.870 -0.038 0.000 1.071 432 L CA 2.226 57.062 54.840 -0.006 0.000 0.749 432 L CB -0.817 41.278 42.059 0.060 0.000 0.890 432 L HN 0.055 nan 8.230 nan 0.000 0.431 433 A N -0.827 121.896 122.820 -0.161 0.000 1.972 433 A HA -0.072 4.253 4.320 0.009 0.000 0.219 433 A C 2.394 179.930 177.584 -0.081 0.000 1.169 433 A CA 1.698 53.579 52.037 -0.260 0.000 0.635 433 A CB -1.055 17.419 19.000 -0.876 0.000 0.810 433 A HN 0.580 nan 8.150 nan 0.000 0.446 434 A N -0.529 122.239 122.820 -0.086 0.000 1.969 434 A HA -0.077 4.248 4.320 0.009 0.000 0.218 434 A C 2.091 179.656 177.584 -0.031 0.000 1.169 434 A CA 1.705 53.719 52.037 -0.038 0.000 0.635 434 A CB -0.282 18.694 19.000 -0.040 0.000 0.810 434 A HN 0.533 nan 8.150 nan 0.000 0.445 435 K N -0.308 120.062 120.400 -0.049 0.000 2.044 435 K HA -0.070 4.255 4.320 0.009 0.000 0.204 435 K C 1.965 178.490 176.600 -0.124 0.000 1.049 435 K CA 1.345 57.594 56.287 -0.064 0.000 0.945 435 K CB -0.149 32.320 32.500 -0.052 0.000 0.724 435 K HN 0.555 nan 8.250 nan 0.000 0.440 436 E N -0.397 119.701 120.200 -0.169 0.000 2.097 436 E HA -0.158 4.197 4.350 0.009 0.000 0.196 436 E C -0.141 175.994 176.600 -0.776 0.000 1.000 436 E CA 1.052 57.184 56.400 -0.447 0.000 0.804 436 E CB 0.068 29.553 29.700 -0.359 0.000 0.740 436 E HN 0.175 nan 8.360 nan 0.000 0.454 437 F N -1.084 118.862 119.950 -0.005 0.000 2.710 437 F HA 0.264 4.795 4.527 0.008 0.000 0.345 437 F C -2.133 173.654 175.800 -0.021 0.000 1.362 437 F CA -1.959 56.036 58.000 -0.008 0.000 1.175 437 F CB 1.513 40.513 39.000 0.001 0.000 1.561 437 F HN -0.121 nan 8.300 nan 0.000 0.593 438 P HA -0.137 nan 4.420 nan 0.000 0.218 438 P C 0.781 178.113 177.300 0.054 0.000 1.148 438 P CA 1.476 64.602 63.100 0.043 0.000 0.822 438 P CB 0.343 32.050 31.700 0.012 0.000 0.784 439 E N -1.751 118.494 120.200 0.076 0.000 2.476 439 E HA 0.161 4.516 4.350 0.009 0.000 0.196 439 E C -0.162 176.473 176.600 0.058 0.000 1.029 439 E CA -0.179 56.255 56.400 0.056 0.000 0.896 439 E CB -0.154 29.575 29.700 0.048 0.000 1.012 439 E HN 0.085 nan 8.360 nan 0.000 0.475 440 L N 1.533 122.806 121.223 0.083 0.000 2.287 440 L HA 0.235 4.581 4.340 0.009 0.000 0.287 440 L C -0.175 176.701 176.870 0.010 0.000 1.022 440 L CA -0.531 54.332 54.840 0.038 0.000 0.814 440 L CB 0.973 43.044 42.059 0.020 0.000 1.217 440 L HN -0.075 nan 8.230 nan 0.000 0.420 441 D N 2.657 123.051 120.400 -0.010 0.000 2.563 441 D HA -0.090 4.555 4.640 0.009 0.000 0.229 441 D C 1.174 177.457 176.300 -0.029 0.000 1.159 441 D CA 0.274 54.265 54.000 -0.016 0.000 0.869 441 D CB 1.367 42.156 40.800 -0.017 0.000 1.203 441 D HN 0.444 nan 8.370 nan 0.000 0.478 442 V N 2.794 122.694 119.914 -0.024 0.000 2.407 442 V HA -0.265 3.860 4.120 0.009 0.000 0.248 442 V C 2.516 178.589 176.094 -0.034 0.000 1.055 442 V CA 2.044 64.323 62.300 -0.033 0.000 1.049 442 V CB -1.062 30.744 31.823 -0.028 0.000 0.662 442 V HN 0.683 nan 8.190 nan 0.000 0.455 443 S N 0.549 116.232 115.700 -0.029 0.000 2.442 443 S HA -0.068 4.407 4.470 0.009 0.000 0.236 443 S C 1.794 176.366 174.600 -0.046 0.000 1.007 443 S CA 1.453 59.635 58.200 -0.030 0.000 0.965 443 S CB -0.590 62.596 63.200 -0.025 0.000 0.773 443 S HN 0.577 nan 8.310 nan 0.000 0.504 444 L N 0.082 121.267 121.223 -0.063 0.000 2.477 444 L HA 0.263 4.608 4.340 0.009 0.000 0.220 444 L C 2.750 179.547 176.870 -0.122 0.000 1.106 444 L CA 0.168 54.950 54.840 -0.097 0.000 0.851 444 L CB -0.205 41.787 42.059 -0.111 0.000 0.994 444 L HN 0.194 nan 8.230 nan 0.000 0.462 445 R N 0.274 120.720 120.500 -0.090 0.000 2.148 445 R HA -0.033 4.312 4.340 0.009 0.000 0.223 445 R C 2.359 178.719 176.300 0.100 0.000 1.088 445 R CA 1.031 57.103 56.100 -0.046 0.000 0.985 445 R CB -0.496 29.791 30.300 -0.022 0.000 0.880 445 R HN 0.366 nan 8.270 nan 0.000 0.451 446 G N 1.235 110.073 108.800 0.063 0.000 2.421 446 G HA2 -0.288 3.678 3.960 0.009 0.000 0.216 446 G HA3 -0.288 3.678 3.960 0.009 0.000 0.216 446 G C 1.595 176.499 174.900 0.007 0.000 1.171 446 G CA 0.794 45.939 45.100 0.075 0.000 0.775 446 G HN 0.385 nan 8.290 nan 0.000 0.543 447 A N 0.167 122.963 122.820 -0.039 0.000 1.908 447 A HA 0.005 4.330 4.320 0.009 0.000 0.218 447 A C 2.628 180.162 177.584 -0.084 0.000 1.181 447 A CA 2.054 54.051 52.037 -0.068 0.000 0.627 447 A CB -0.717 18.229 19.000 -0.090 0.000 0.818 447 A HN 0.300 nan 8.150 nan 0.000 0.445 448 V N -0.497 119.350 119.914 -0.111 0.000 2.287 448 V HA -0.243 3.882 4.120 0.009 0.000 0.248 448 V C 2.791 178.831 176.094 -0.090 0.000 1.053 448 V CA 2.413 64.632 62.300 -0.134 0.000 1.027 448 V CB -1.009 30.661 31.823 -0.254 0.000 0.646 448 V HN 0.658 nan 8.190 nan 0.000 0.447 449 S N -0.611 115.037 115.700 -0.087 0.000 2.382 449 S HA -0.141 4.334 4.470 0.009 0.000 0.228 449 S C 1.932 176.452 174.600 -0.133 0.000 1.027 449 S CA 1.593 59.670 58.200 -0.204 0.000 0.991 449 S CB -0.401 62.604 63.200 -0.324 0.000 0.823 449 S HN 0.500 nan 8.310 nan 0.000 0.469 450 I N 1.402 121.922 120.570 -0.083 0.000 2.226 450 I HA -0.196 3.979 4.170 0.009 0.000 0.245 450 I C 2.730 178.809 176.117 -0.063 0.000 1.100 450 I CA 1.160 62.422 61.300 -0.063 0.000 1.374 450 I CB -0.482 37.491 38.000 -0.045 0.000 1.057 450 I HN 0.387 nan 8.210 nan 0.000 0.413 451 A N 0.765 123.543 122.820 -0.070 0.000 1.877 451 A HA -0.196 4.129 4.320 0.009 0.000 0.216 451 A C 2.367 179.909 177.584 -0.070 0.000 1.186 451 A CA 1.476 53.473 52.037 -0.067 0.000 0.620 451 A CB -0.525 18.431 19.000 -0.073 0.000 0.822 451 A HN 0.313 nan 8.150 nan 0.000 0.443 452 R N -0.379 120.076 120.500 -0.076 0.000 2.115 452 R HA -0.098 4.247 4.340 0.009 0.000 0.226 452 R C 2.390 178.641 176.300 -0.081 0.000 1.100 452 R CA 1.326 57.382 56.100 -0.074 0.000 0.980 452 R CB -0.291 29.967 30.300 -0.069 0.000 0.875 452 R HN 0.749 nan 8.270 nan 0.000 0.445 453 R N 0.571 121.020 120.500 -0.086 0.000 2.148 453 R HA -0.079 4.267 4.340 0.009 0.000 0.227 453 R C 1.967 178.233 176.300 -0.057 0.000 1.103 453 R CA 1.026 57.082 56.100 -0.073 0.000 0.983 453 R CB -0.498 29.759 30.300 -0.071 0.000 0.874 453 R HN 0.115 nan 8.270 nan 0.000 0.451 454 L N 1.627 122.814 121.223 -0.060 0.000 2.027 454 L HA -0.114 4.231 4.340 0.009 0.000 0.206 454 L C 2.316 179.107 176.870 -0.131 0.000 1.074 454 L CA 1.772 56.572 54.840 -0.066 0.000 0.745 454 L CB -0.501 41.524 42.059 -0.057 0.000 0.898 454 L HN 0.212 nan 8.230 nan 0.000 0.433 455 Q N -1.201 118.522 119.800 -0.128 0.000 2.096 455 Q HA -0.153 4.192 4.340 0.009 0.000 0.204 455 Q C 0.002 175.927 176.000 -0.124 0.000 0.982 455 Q CA 1.530 57.245 55.803 -0.147 0.000 0.850 455 Q CB 0.046 28.722 28.738 -0.103 0.000 0.901 455 Q HN 0.449 nan 8.270 nan 0.000 0.422 456 D N -2.321 118.028 120.400 -0.086 0.000 2.362 456 D HA 0.132 4.777 4.640 0.009 0.000 0.232 456 D C -2.390 173.879 176.300 -0.051 0.000 1.329 456 D CA -1.539 52.425 54.000 -0.061 0.000 0.944 456 D CB 1.206 41.975 40.800 -0.051 0.000 1.471 456 D HN -0.250 nan 8.370 nan 0.000 0.533 457 P HA -0.109 nan 4.420 nan 0.000 0.215 457 P C 1.713 178.989 177.300 -0.040 0.000 1.153 457 P CA 0.329 63.408 63.100 -0.036 0.000 0.853 457 P CB 0.422 32.113 31.700 -0.015 0.000 0.788 458 L N -0.076 121.126 121.223 -0.035 0.000 2.012 458 L HA -0.136 4.209 4.340 0.009 0.000 0.210 458 L C 2.261 179.108 176.870 -0.038 0.000 1.073 458 L CA 2.298 57.116 54.840 -0.037 0.000 0.748 458 L CB -1.590 40.449 42.059 -0.033 0.000 0.891 458 L HN -0.102 nan 8.230 nan 0.000 0.431 459 A N -1.199 121.599 122.820 -0.036 0.000 1.930 459 A HA -0.199 4.126 4.320 0.009 0.000 0.217 459 A C 2.242 179.798 177.584 -0.046 0.000 1.175 459 A CA 1.625 53.642 52.037 -0.033 0.000 0.627 459 A CB -0.578 18.405 19.000 -0.029 0.000 0.815 459 A HN 0.549 nan 8.150 nan 0.000 0.443 460 E N 0.196 120.356 120.200 -0.067 0.000 2.051 460 E HA -0.008 4.347 4.350 0.009 0.000 0.189 460 E C 1.798 178.331 176.600 -0.112 0.000 0.979 460 E CA 0.925 57.260 56.400 -0.109 0.000 0.803 460 E CB -0.380 29.241 29.700 -0.132 0.000 0.761 460 E HN 0.545 nan 8.360 nan 0.000 0.451 461 L N 0.492 121.668 121.223 -0.079 0.000 2.201 461 L HA -0.076 4.269 4.340 0.009 0.000 0.212 461 L C 2.234 179.084 176.870 -0.033 0.000 1.105 461 L CA 0.939 55.744 54.840 -0.058 0.000 0.775 461 L CB -0.481 41.553 42.059 -0.042 0.000 0.913 461 L HN 0.178 nan 8.230 nan 0.000 0.440 462 V N -3.697 116.200 119.914 -0.029 0.000 3.383 462 V HA -0.140 3.985 4.120 0.009 0.000 0.272 462 V C 1.978 178.076 176.094 0.006 0.000 1.181 462 V CA 1.093 63.386 62.300 -0.013 0.000 1.171 462 V CB -0.887 30.926 31.823 -0.016 0.000 0.800 462 V HN 0.392 nan 8.190 nan 0.000 0.515 463 K N 0.537 120.941 120.400 0.007 0.000 2.296 463 K HA 0.309 4.635 4.320 0.009 0.000 0.200 463 K C 0.553 177.212 176.600 0.099 0.000 1.048 463 K CA 0.530 56.852 56.287 0.057 0.000 0.966 463 K CB 0.084 32.620 32.500 0.061 0.000 0.754 463 K HN 0.510 nan 8.250 nan 0.000 0.466 464 I N 1.823 122.435 120.570 0.069 0.000 2.385 464 I HA 0.057 4.232 4.170 0.009 0.000 0.294 464 I C 0.120 176.268 176.117 0.052 0.000 0.988 464 I CA -1.008 60.343 61.300 0.087 0.000 1.265 464 I CB 1.347 39.390 38.000 0.071 0.000 1.388 464 I HN -0.024 nan 8.210 nan 0.000 0.480 465 E N 9.120 129.353 120.200 0.054 0.000 2.614 465 E HA -0.039 4.316 4.350 0.009 0.000 0.245 465 E C -1.972 174.645 176.600 0.028 0.000 1.039 465 E CA -0.912 55.510 56.400 0.036 0.000 0.948 465 E CB 0.651 30.372 29.700 0.036 0.000 0.937 465 E HN 0.282 nan 8.360 nan 0.000 0.498 466 P HA -0.241 nan 4.420 nan 0.000 0.216 466 P C 0.506 177.816 177.300 0.017 0.000 1.150 466 P CA 2.033 65.144 63.100 0.019 0.000 0.843 466 P CB -0.026 31.685 31.700 0.019 0.000 0.787 467 K N -1.038 119.373 120.400 0.018 0.000 2.442 467 K HA 0.054 4.379 4.320 0.009 0.000 0.198 467 K C 1.438 178.040 176.600 0.002 0.000 1.042 467 K CA 1.281 57.573 56.287 0.009 0.000 0.958 467 K CB -0.606 31.899 32.500 0.009 0.000 0.766 467 K HN -0.054 nan 8.250 nan 0.000 0.474 468 S N 0.931 116.641 115.700 0.017 0.000 2.593 468 S HA 0.222 4.697 4.470 0.009 0.000 0.217 468 S C 0.553 175.159 174.600 0.010 0.000 0.966 468 S CA -0.237 57.980 58.200 0.027 0.000 0.914 468 S CB -0.068 63.159 63.200 0.045 0.000 0.776 468 S HN 0.236 nan 8.310 nan 0.000 0.523 469 I N 3.146 123.715 120.570 -0.002 0.000 2.293 469 I HA 0.138 4.313 4.170 0.009 0.000 0.299 469 I C 0.932 177.021 176.117 -0.047 0.000 1.153 469 I CA -0.461 60.832 61.300 -0.012 0.000 1.302 469 I CB -0.053 37.945 38.000 -0.003 0.000 1.460 469 I HN 0.080 nan 8.210 nan 0.000 0.552 470 G N 5.674 114.441 108.800 -0.056 0.000 2.389 470 G HA2 0.314 4.279 3.960 0.009 0.000 0.287 470 G HA3 0.314 4.279 3.960 0.009 0.000 0.287 470 G C 0.699 175.535 174.900 -0.106 0.000 1.126 470 G CA -0.281 44.754 45.100 -0.108 0.000 1.073 470 G HN 0.629 nan 8.290 nan 0.000 0.429 471 V N 0.852 120.670 119.914 -0.160 0.000 3.006 471 V HA 0.766 4.891 4.120 0.009 0.000 0.357 471 V C 0.708 176.802 176.094 0.000 0.000 1.377 471 V CA -0.011 62.259 62.300 -0.051 0.000 1.198 471 V CB -0.374 31.470 31.823 0.035 0.000 1.216 471 V HN 1.095 nan 8.190 nan 0.000 0.520 472 G N -0.410 108.316 108.800 -0.123 0.000 2.328 472 G HA2 0.346 4.311 3.960 0.009 0.000 0.295 472 G HA3 0.346 4.311 3.960 0.009 0.000 0.295 472 G C -1.777 173.118 174.900 -0.008 0.000 1.413 472 G CA -0.703 44.443 45.100 0.076 0.000 0.817 472 G HN 0.263 nan 8.290 nan 0.000 0.546 473 Q N -0.711 119.152 119.800 0.105 0.000 2.340 473 Q HA 0.479 4.824 4.340 0.009 0.000 0.249 473 Q C -0.010 176.048 176.000 0.095 0.000 0.957 473 Q CA -0.133 55.615 55.803 -0.092 0.000 0.882 473 Q CB 0.284 28.833 28.738 -0.314 0.000 1.235 473 Q HN 0.856 nan 8.270 nan 0.000 0.439 474 Y N -0.169 120.235 120.300 0.173 0.000 4.929 474 Y HA -0.399 4.156 4.550 0.008 0.000 0.252 474 Y C 1.411 177.432 175.900 0.201 0.000 0.950 474 Y CA 0.846 59.070 58.100 0.208 0.000 1.935 474 Y CB -1.344 37.264 38.460 0.247 0.000 1.440 474 Y HN 0.761 nan 8.280 nan 0.000 0.567 475 Q N 0.304 120.175 119.800 0.118 0.000 2.135 475 Q HA -0.245 4.100 4.340 0.009 0.000 0.204 475 Q C 1.968 177.998 176.000 0.049 0.000 0.981 475 Q CA 1.982 57.689 55.803 -0.161 0.000 0.856 475 Q CB -0.240 28.124 28.738 -0.623 0.000 0.902 475 Q HN 0.758 nan 8.270 nan 0.000 0.425 476 H N -0.526 118.550 119.070 0.011 0.000 2.529 476 H HA -0.051 4.510 4.556 0.008 0.000 0.277 476 H C 0.593 175.969 175.328 0.080 0.000 0.999 476 H CA 1.203 57.271 56.048 0.033 0.000 1.256 476 H CB 0.617 30.394 29.762 0.025 0.000 1.402 476 H HN 0.430 nan 8.280 nan 0.000 0.566 477 D N 0.636 121.159 120.400 0.205 0.000 2.327 477 D HA -0.028 4.617 4.640 0.009 0.000 0.205 477 D C 1.259 177.623 176.300 0.107 0.000 0.989 477 D CA 0.261 54.364 54.000 0.172 0.000 0.873 477 D CB 0.299 41.256 40.800 0.261 0.000 0.955 477 D HN 0.197 nan 8.370 nan 0.000 0.515 478 V N -0.390 119.609 119.914 0.141 0.000 3.319 478 V HA 0.194 4.319 4.120 0.009 0.000 0.303 478 V C 0.787 176.909 176.094 0.047 0.000 1.094 478 V CA -1.055 61.310 62.300 0.110 0.000 1.106 478 V CB 0.958 32.903 31.823 0.203 0.000 1.099 478 V HN -0.004 nan 8.190 nan 0.000 0.476 479 S N 1.311 117.028 115.700 0.029 0.000 2.596 479 S HA 0.000 4.475 4.470 0.009 0.000 0.298 479 S C 1.001 175.612 174.600 0.017 0.000 1.255 479 S CA -0.051 58.155 58.200 0.010 0.000 1.083 479 S CB 0.359 63.564 63.200 0.008 0.000 0.837 479 S HN 0.865 nan 8.310 nan 0.000 0.499 480 Q N 3.683 123.477 119.800 -0.010 0.000 2.172 480 Q HA -0.040 4.305 4.340 0.009 0.000 0.200 480 Q C 1.933 177.934 176.000 0.002 0.000 0.964 480 Q CA 0.810 56.602 55.803 -0.018 0.000 0.855 480 Q CB -0.478 28.226 28.738 -0.057 0.000 0.918 480 Q HN 0.833 nan 8.270 nan 0.000 0.444 481 L N 1.211 122.436 121.223 0.005 0.000 2.027 481 L HA -0.141 4.204 4.340 0.009 0.000 0.206 481 L C 2.046 178.931 176.870 0.025 0.000 1.074 481 L CA 1.839 56.687 54.840 0.012 0.000 0.745 481 L CB -0.264 41.801 42.059 0.011 0.000 0.898 481 L HN -0.033 nan 8.230 nan 0.000 0.433 482 K N -0.875 119.543 120.400 0.029 0.000 2.097 482 K HA -0.182 4.143 4.320 0.009 0.000 0.206 482 K C 2.035 178.669 176.600 0.057 0.000 1.049 482 K CA 1.584 57.895 56.287 0.039 0.000 0.933 482 K CB -0.372 32.150 32.500 0.037 0.000 0.717 482 K HN 0.251 nan 8.250 nan 0.000 0.442 483 L N 0.861 122.124 121.223 0.068 0.000 1.994 483 L HA -0.138 4.207 4.340 0.009 0.000 0.208 483 L C 2.171 179.083 176.870 0.071 0.000 1.071 483 L CA 1.914 56.811 54.840 0.096 0.000 0.745 483 L CB -0.690 41.423 42.059 0.091 0.000 0.892 483 L HN 0.117 nan 8.230 nan 0.000 0.431 484 A N -0.635 122.211 122.820 0.044 0.000 1.902 484 A HA -0.245 4.081 4.320 0.009 0.000 0.217 484 A C 2.520 180.125 177.584 0.035 0.000 1.181 484 A CA 1.737 53.794 52.037 0.033 0.000 0.623 484 A CB -0.675 18.337 19.000 0.021 0.000 0.818 484 A HN 0.475 nan 8.150 nan 0.000 0.443 485 R N -0.541 119.980 120.500 0.035 0.000 2.117 485 R HA -0.147 4.198 4.340 0.009 0.000 0.243 485 R C 2.479 178.802 176.300 0.039 0.000 1.143 485 R CA 1.830 57.950 56.100 0.033 0.000 0.968 485 R CB -0.225 30.095 30.300 0.033 0.000 0.863 485 R HN 0.546 nan 8.270 nan 0.000 0.444 486 S N -0.343 115.388 115.700 0.051 0.000 2.388 486 S HA 0.052 4.527 4.470 0.009 0.000 0.223 486 S C 1.857 176.497 174.600 0.066 0.000 1.034 486 S CA 0.443 58.678 58.200 0.059 0.000 0.963 486 S CB 0.008 63.252 63.200 0.073 0.000 0.827 486 S HN 0.329 nan 8.310 nan 0.000 0.481 487 L N 1.080 122.345 121.223 0.070 0.000 2.179 487 L HA 0.000 4.345 4.340 0.009 0.000 0.208 487 L C 2.071 178.966 176.870 0.040 0.000 1.096 487 L CA 0.993 55.872 54.840 0.065 0.000 0.779 487 L CB -0.708 41.391 42.059 0.067 0.000 0.922 487 L HN 0.264 nan 8.230 nan 0.000 0.443 488 D N 0.777 121.196 120.400 0.031 0.000 2.123 488 D HA -0.165 4.480 4.640 0.009 0.000 0.196 488 D C 2.242 178.550 176.300 0.012 0.000 0.992 488 D CA 1.527 55.537 54.000 0.017 0.000 0.833 488 D CB -0.003 40.806 40.800 0.015 0.000 0.954 488 D HN 0.266 nan 8.370 nan 0.000 0.455 489 A N 0.535 123.369 122.820 0.023 0.000 1.877 489 A HA -0.147 4.178 4.320 0.009 0.000 0.216 489 A C 2.529 180.128 177.584 0.026 0.000 1.186 489 A CA 1.363 53.413 52.037 0.022 0.000 0.620 489 A CB -0.809 18.210 19.000 0.032 0.000 0.822 489 A HN 0.147 nan 8.150 nan 0.000 0.443 490 V N -0.290 119.651 119.914 0.045 0.000 2.287 490 V HA -0.255 3.870 4.120 0.009 0.000 0.248 490 V C 2.583 178.674 176.094 -0.006 0.000 1.053 490 V CA 2.087 64.421 62.300 0.057 0.000 1.027 490 V CB -0.888 30.989 31.823 0.090 0.000 0.646 490 V HN 0.378 nan 8.190 nan 0.000 0.447 491 V N -0.069 119.838 119.914 -0.011 0.000 2.295 491 V HA -0.315 3.811 4.120 0.009 0.000 0.246 491 V C 2.458 178.521 176.094 -0.053 0.000 1.049 491 V CA 2.404 64.683 62.300 -0.036 0.000 1.024 491 V CB -0.630 31.181 31.823 -0.020 0.000 0.648 491 V HN 0.688 nan 8.190 nan 0.000 0.447 492 E N 0.078 120.251 120.200 -0.045 0.000 2.085 492 E HA -0.280 4.075 4.350 0.009 0.000 0.194 492 E C 1.819 178.363 176.600 -0.093 0.000 0.994 492 E CA 1.735 58.092 56.400 -0.072 0.000 0.801 492 E CB -0.086 29.579 29.700 -0.059 0.000 0.743 492 E HN 0.616 nan 8.360 nan 0.000 0.453 493 D N -0.224 120.141 120.400 -0.058 0.000 2.144 493 D HA -0.113 4.532 4.640 0.009 0.000 0.200 493 D C 1.985 178.243 176.300 -0.070 0.000 0.978 493 D CA 0.898 54.870 54.000 -0.046 0.000 0.833 493 D CB -0.399 40.413 40.800 0.019 0.000 0.961 493 D HN 0.297 nan 8.370 nan 0.000 0.470 494 C N 0.026 119.258 119.300 -0.114 0.000 2.475 494 C HA 0.017 4.482 4.460 0.009 0.000 0.279 494 C C 2.909 177.842 174.990 -0.095 0.000 1.322 494 C CA -0.097 58.827 59.018 -0.156 0.000 1.734 494 C CB -0.646 26.946 27.740 -0.247 0.000 2.005 494 C HN 0.145 nan 8.230 nan 0.000 0.495 495 V N 2.211 122.073 119.914 -0.087 0.000 2.343 495 V HA -0.203 3.922 4.120 0.009 0.000 0.247 495 V C 2.179 178.234 176.094 -0.064 0.000 1.051 495 V CA 1.972 64.232 62.300 -0.068 0.000 1.036 495 V CB -0.614 31.167 31.823 -0.070 0.000 0.654 495 V HN 0.581 nan 8.190 nan 0.000 0.451 496 N N 0.114 118.737 118.700 -0.129 0.000 2.354 496 N HA -0.036 4.709 4.740 0.009 0.000 0.179 496 N C 1.896 177.446 175.510 0.067 0.000 1.021 496 N CA 1.286 54.227 53.050 -0.183 0.000 0.887 496 N CB -0.091 37.999 38.487 -0.661 0.000 0.974 496 N HN 0.486 nan 8.380 nan 0.000 0.437 497 A N 0.930 123.769 122.820 0.031 0.000 1.933 497 A HA -0.067 4.258 4.320 0.009 0.000 0.218 497 A C 2.445 180.073 177.584 0.074 0.000 1.175 497 A CA 1.185 53.264 52.037 0.069 0.000 0.628 497 A CB -0.537 18.480 19.000 0.028 0.000 0.814 497 A HN 0.094 nan 8.150 nan 0.000 0.444 498 V N -0.864 119.077 119.914 0.045 0.000 2.488 498 V HA 0.262 4.387 4.120 0.009 0.000 0.246 498 V C 1.567 177.705 176.094 0.073 0.000 1.046 498 V CA 0.840 63.166 62.300 0.043 0.000 1.053 498 V CB -1.788 30.044 31.823 0.014 0.000 0.679 498 V HN 1.187 nan 8.190 nan 0.000 0.458 499 G N 0.352 109.215 108.800 0.105 0.000 2.856 499 G HA2 -0.002 3.964 3.960 0.009 0.000 0.674 499 G HA3 -0.002 3.964 3.960 0.009 0.000 0.674 499 G C -0.549 174.395 174.900 0.074 0.000 1.519 499 G CA -0.159 45.022 45.100 0.135 0.000 0.940 499 G HN 1.414 nan 8.290 nan 0.000 0.564 500 V N -2.303 117.652 119.914 0.068 0.000 2.962 500 V HA 0.829 4.954 4.120 0.009 0.000 0.313 500 V C -0.156 175.959 176.094 0.035 0.000 1.099 500 V CA -0.469 61.855 62.300 0.040 0.000 0.971 500 V CB 2.208 34.049 31.823 0.028 0.000 1.028 500 V HN 1.100 nan 8.190 nan 0.000 0.430 501 D N 2.283 122.702 120.400 0.031 0.000 2.344 501 D HA 0.122 4.768 4.640 0.009 0.000 0.253 501 D C 0.814 177.138 176.300 0.041 0.000 1.255 501 D CA 0.346 54.367 54.000 0.035 0.000 0.894 501 D CB 1.619 42.440 40.800 0.035 0.000 1.067 501 D HN 0.548 nan 8.370 nan 0.000 0.492 502 V N 4.874 124.808 119.914 0.034 0.000 3.026 502 V HA -0.152 3.973 4.120 0.009 0.000 0.265 502 V C 1.341 177.507 176.094 0.119 0.000 1.121 502 V CA 1.312 63.630 62.300 0.030 0.000 1.142 502 V CB -0.372 31.411 31.823 -0.067 0.000 0.730 502 V HN 0.489 nan 8.190 nan 0.000 0.503 503 N N -0.195 118.585 118.700 0.133 0.000 2.373 503 N HA 0.003 4.748 4.740 0.009 0.000 0.181 503 N C 1.640 177.210 175.510 0.099 0.000 1.082 503 N CA 1.389 54.535 53.050 0.161 0.000 0.885 503 N CB 0.524 39.097 38.487 0.144 0.000 0.977 503 N HN 0.765 nan 8.380 nan 0.000 0.462 504 T N -3.414 111.183 114.554 0.071 0.000 2.954 504 T HA 0.405 4.760 4.350 0.009 0.000 0.252 504 T C 0.819 175.543 174.700 0.039 0.000 0.983 504 T CA -0.273 61.855 62.100 0.047 0.000 0.941 504 T CB 0.248 69.136 68.868 0.034 0.000 1.141 504 T HN 0.060 nan 8.240 nan 0.000 0.500 505 A N 2.840 125.685 122.820 0.041 0.000 2.511 505 A HA 0.566 4.891 4.320 0.009 0.000 0.242 505 A C 0.945 178.548 177.584 0.031 0.000 1.069 505 A CA -0.067 51.988 52.037 0.030 0.000 0.763 505 A CB -0.128 18.887 19.000 0.026 0.000 1.001 505 A HN 0.796 nan 8.150 nan 0.000 0.498 506 S N 1.922 117.635 115.700 0.021 0.000 2.596 506 S HA 0.385 4.860 4.470 0.009 0.000 0.260 506 S C 1.373 175.986 174.600 0.023 0.000 1.336 506 S CA -0.055 58.157 58.200 0.020 0.000 0.993 506 S CB 0.756 63.963 63.200 0.013 0.000 0.923 506 S HN 1.675 nan 8.310 nan 0.000 0.567 507 A N 1.638 124.473 122.820 0.024 0.000 1.902 507 A HA 0.163 4.488 4.320 0.009 0.000 0.217 507 A C 2.459 180.053 177.584 0.018 0.000 1.181 507 A CA 1.811 53.862 52.037 0.025 0.000 0.623 507 A CB -1.752 17.263 19.000 0.025 0.000 0.818 507 A HN 1.416 nan 8.150 nan 0.000 0.443 508 A N -0.765 122.066 122.820 0.018 0.000 1.940 508 A HA -0.047 4.278 4.320 0.009 0.000 0.219 508 A C 2.112 179.699 177.584 0.006 0.000 1.176 508 A CA 1.799 53.846 52.037 0.016 0.000 0.631 508 A CB -0.501 18.513 19.000 0.024 0.000 0.814 508 A HN 0.582 nan 8.150 nan 0.000 0.446 509 L N -0.502 120.724 121.223 0.004 0.000 2.072 509 L HA 0.046 4.391 4.340 0.009 0.000 0.205 509 L C 2.244 179.111 176.870 -0.005 0.000 1.079 509 L CA 1.403 56.241 54.840 -0.003 0.000 0.752 509 L CB -0.537 41.522 42.059 -0.001 0.000 0.906 509 L HN 0.384 nan 8.230 nan 0.000 0.436 510 L N -0.600 120.625 121.223 0.003 0.000 2.131 510 L HA -0.176 4.169 4.340 0.009 0.000 0.210 510 L C 2.556 179.422 176.870 -0.008 0.000 1.092 510 L CA 1.062 55.902 54.840 -0.000 0.000 0.759 510 L CB -0.795 41.270 42.059 0.010 0.000 0.903 510 L HN 0.358 nan 8.230 nan 0.000 0.435 511 A N -0.433 122.385 122.820 -0.004 0.000 2.019 511 A HA -0.145 4.180 4.320 0.009 0.000 0.219 511 A C 2.167 179.739 177.584 -0.020 0.000 1.164 511 A CA 1.172 53.205 52.037 -0.007 0.000 0.644 511 A CB -0.270 18.731 19.000 0.001 0.000 0.805 511 A HN 0.257 nan 8.150 nan 0.000 0.449 512 R N -0.455 120.028 120.500 -0.028 0.000 2.300 512 R HA 0.211 4.556 4.340 0.009 0.000 0.199 512 R C 0.168 176.421 176.300 -0.079 0.000 0.920 512 R CA -0.171 55.901 56.100 -0.046 0.000 1.046 512 R CB -0.394 29.880 30.300 -0.043 0.000 0.984 512 R HN 0.355 nan 8.270 nan 0.000 0.493 513 I N 2.072 122.599 120.570 -0.071 0.000 2.683 513 I HA -0.097 4.078 4.170 0.009 0.000 0.286 513 I C 1.092 177.136 176.117 -0.121 0.000 1.175 513 I CA -0.090 61.148 61.300 -0.104 0.000 1.429 513 I CB 0.260 38.239 38.000 -0.035 0.000 1.371 513 I HN 0.024 nan 8.210 nan 0.000 0.569 514 S N 5.348 120.903 115.700 -0.240 0.000 3.298 514 S HA 0.018 4.493 4.470 0.009 0.000 0.389 514 S C 1.298 175.880 174.600 -0.030 0.000 1.186 514 S CA 0.826 58.928 58.200 -0.164 0.000 1.034 514 S CB -0.532 62.500 63.200 -0.280 0.000 0.735 514 S HN 1.174 nan 8.310 nan 0.000 0.510 515 G N 3.409 112.191 108.800 -0.030 0.000 2.176 515 G HA2 -0.208 3.757 3.960 0.009 0.000 0.253 515 G HA3 -0.208 3.757 3.960 0.009 0.000 0.253 515 G C 0.095 174.984 174.900 -0.019 0.000 0.979 515 G CA 0.416 45.503 45.100 -0.022 0.000 0.641 515 G HN 0.741 nan 8.290 nan 0.000 0.530 516 L N 0.011 121.221 121.223 -0.022 0.000 2.397 516 L HA 0.750 5.096 4.340 0.009 0.000 0.266 516 L C 0.522 177.384 176.870 -0.013 0.000 1.040 516 L CA -0.587 54.244 54.840 -0.016 0.000 0.800 516 L CB 1.376 43.425 42.059 -0.017 0.000 1.324 516 L HN 0.515 nan 8.230 nan 0.000 0.469 517 N N -2.946 115.751 118.700 -0.005 0.000 3.277 517 N HA 0.180 4.925 4.740 0.009 0.000 0.278 517 N C -0.174 175.339 175.510 0.005 0.000 1.544 517 N CA -0.624 52.425 53.050 -0.001 0.000 0.869 517 N CB 0.661 39.148 38.487 0.001 0.000 1.584 517 N HN 0.255 nan 8.380 nan 0.000 0.564 518 S N -0.715 114.990 115.700 0.007 0.000 2.365 518 S HA -0.169 4.306 4.470 0.009 0.000 0.225 518 S C 1.341 175.951 174.600 0.016 0.000 1.039 518 S CA 2.209 60.416 58.200 0.012 0.000 1.033 518 S CB -0.786 62.421 63.200 0.012 0.000 0.887 518 S HN 0.709 nan 8.310 nan 0.000 0.447 519 T N 2.601 117.165 114.554 0.016 0.000 2.737 519 T HA 0.060 4.415 4.350 0.009 0.000 0.265 519 T C 1.822 176.538 174.700 0.027 0.000 1.038 519 T CA 0.977 63.089 62.100 0.020 0.000 1.144 519 T CB -0.442 68.437 68.868 0.018 0.000 0.866 519 T HN 0.226 nan 8.240 nan 0.000 0.434 520 L N 0.846 122.082 121.223 0.022 0.000 2.046 520 L HA -0.080 4.265 4.340 0.009 0.000 0.208 520 L C 3.067 179.955 176.870 0.030 0.000 1.077 520 L CA 1.153 56.008 54.840 0.025 0.000 0.747 520 L CB -0.707 41.359 42.059 0.012 0.000 0.896 520 L HN 0.249 nan 8.230 nan 0.000 0.432 521 A N -0.417 122.417 122.820 0.024 0.000 1.883 521 A HA -0.315 4.011 4.320 0.009 0.000 0.217 521 A C 2.222 179.834 177.584 0.046 0.000 1.186 521 A CA 2.113 54.167 52.037 0.029 0.000 0.624 521 A CB -0.583 18.429 19.000 0.020 0.000 0.822 521 A HN 0.396 nan 8.150 nan 0.000 0.444 522 Q N 0.162 119.987 119.800 0.043 0.000 2.079 522 Q HA -0.140 4.205 4.340 0.009 0.000 0.200 522 Q C 1.809 177.852 176.000 0.070 0.000 0.974 522 Q CA 2.035 57.867 55.803 0.048 0.000 0.840 522 Q CB -0.400 28.359 28.738 0.035 0.000 0.898 522 Q HN 0.664 nan 8.270 nan 0.000 0.430 523 N N -0.015 118.729 118.700 0.074 0.000 2.043 523 N HA -0.149 4.596 4.740 0.009 0.000 0.193 523 N C 1.715 177.326 175.510 0.167 0.000 1.037 523 N CA 1.602 54.716 53.050 0.106 0.000 0.851 523 N CB -0.365 38.176 38.487 0.090 0.000 1.027 523 N HN 0.319 nan 8.380 nan 0.000 0.422 524 I N 0.233 120.891 120.570 0.147 0.000 2.118 524 I HA -0.264 3.911 4.170 0.009 0.000 0.241 524 I C 2.038 178.321 176.117 0.277 0.000 1.070 524 I CA 0.980 62.410 61.300 0.217 0.000 1.327 524 I CB -0.327 37.733 38.000 0.100 0.000 1.034 524 I HN -0.050 nan 8.210 nan 0.000 0.405 525 V N 0.906 120.922 119.914 0.170 0.000 2.343 525 V HA -0.300 3.825 4.120 0.009 0.000 0.247 525 V C 2.661 178.823 176.094 0.113 0.000 1.051 525 V CA 1.939 64.320 62.300 0.136 0.000 1.036 525 V CB -1.053 30.819 31.823 0.082 0.000 0.654 525 V HN 0.519 nan 8.190 nan 0.000 0.451 526 A N -0.992 121.892 122.820 0.106 0.000 1.902 526 A HA -0.290 4.035 4.320 0.009 0.000 0.217 526 A C 2.262 179.886 177.584 0.067 0.000 1.181 526 A CA 1.966 54.044 52.037 0.068 0.000 0.623 526 A CB -0.818 18.218 19.000 0.060 0.000 0.818 526 A HN 0.663 nan 8.150 nan 0.000 0.443 527 H N 0.696 119.797 119.070 0.051 0.000 2.389 527 H HA -0.095 4.466 4.556 0.008 0.000 0.299 527 H C 2.270 177.518 175.328 -0.134 0.000 1.081 527 H CA 1.820 57.876 56.048 0.013 0.000 1.345 527 H CB -0.026 29.822 29.762 0.144 0.000 1.393 527 H HN 0.685 nan 8.280 nan 0.000 0.520 528 R N -0.009 120.519 120.500 0.048 0.000 2.193 528 R HA -0.031 4.314 4.340 0.009 0.000 0.213 528 R C 1.158 177.409 176.300 -0.082 0.000 1.055 528 R CA 1.251 57.264 56.100 -0.145 0.000 0.995 528 R CB 0.033 30.307 30.300 -0.042 0.000 0.893 528 R HN 0.077 nan 8.270 nan 0.000 0.459 529 D N 1.489 121.869 120.400 -0.034 0.000 2.183 529 D HA 0.001 4.646 4.640 0.009 0.000 0.203 529 D C 1.723 177.980 176.300 -0.071 0.000 0.969 529 D CA 1.583 55.559 54.000 -0.039 0.000 0.842 529 D CB 0.121 40.911 40.800 -0.016 0.000 0.957 529 D HN 0.429 nan 8.370 nan 0.000 0.484 530 A N 0.060 122.814 122.820 -0.109 0.000 2.030 530 A HA 0.039 4.364 4.320 0.009 0.000 0.215 530 A C 1.477 178.961 177.584 -0.166 0.000 1.164 530 A CA 0.518 52.472 52.037 -0.139 0.000 0.697 530 A CB 0.175 19.070 19.000 -0.175 0.000 0.827 530 A HN 0.088 nan 8.150 nan 0.000 0.457 531 N N -0.548 118.032 118.700 -0.200 0.000 2.194 531 N HA 0.279 5.024 4.740 0.009 0.000 0.231 531 N C 0.659 176.079 175.510 -0.151 0.000 1.247 531 N CA 0.685 53.625 53.050 -0.184 0.000 0.884 531 N CB 1.187 39.528 38.487 -0.244 0.000 1.146 531 N HN 0.515 nan 8.380 nan 0.000 0.516 532 G N 1.570 110.286 108.800 -0.139 0.000 2.877 532 G HA2 -0.172 3.793 3.960 0.009 0.000 0.279 532 G HA3 -0.172 3.793 3.960 0.009 0.000 0.279 532 G C -0.078 174.708 174.900 -0.191 0.000 1.431 532 G CA -0.387 44.641 45.100 -0.121 0.000 0.883 532 G HN 0.410 nan 8.290 nan 0.000 0.547 533 A N -0.372 122.378 122.820 -0.117 0.000 2.520 533 A HA 0.530 4.855 4.320 0.009 0.000 0.235 533 A C 0.372 177.881 177.584 -0.125 0.000 1.065 533 A CA 0.351 52.335 52.037 -0.088 0.000 0.764 533 A CB -0.091 18.916 19.000 0.012 0.000 1.002 533 A HN 1.228 nan 8.150 nan 0.000 0.502 534 F N 1.187 121.166 119.950 0.048 0.000 2.543 534 F HA 0.187 4.718 4.527 0.008 0.000 0.375 534 F C 1.675 177.496 175.800 0.034 0.000 1.075 534 F CA 0.376 58.399 58.000 0.040 0.000 1.225 534 F CB 0.752 39.767 39.000 0.025 0.000 1.099 534 F HN 0.679 nan 8.300 nan 0.000 0.561 535 R N 0.336 120.945 120.500 0.182 0.000 2.127 535 R HA 0.049 4.394 4.340 0.009 0.000 0.217 535 R C 0.546 176.920 176.300 0.122 0.000 1.074 535 R CA 1.180 57.350 56.100 0.118 0.000 0.991 535 R CB 0.009 30.355 30.300 0.076 0.000 0.895 535 R HN 0.760 nan 8.270 nan 0.000 0.450 536 T N -3.579 111.064 114.554 0.149 0.000 2.838 536 T HA 0.345 4.701 4.350 0.009 0.000 0.292 536 T C 0.578 175.356 174.700 0.130 0.000 1.113 536 T CA -0.964 61.213 62.100 0.127 0.000 1.008 536 T CB 2.365 71.300 68.868 0.112 0.000 1.259 536 T HN -0.139 nan 8.240 nan 0.000 0.520 537 R N -0.044 120.529 120.500 0.121 0.000 2.092 537 R HA -0.034 4.312 4.340 0.009 0.000 0.231 537 R C 1.524 177.958 176.300 0.223 0.000 1.119 537 R CA 1.433 57.605 56.100 0.120 0.000 0.970 537 R CB -0.361 29.994 30.300 0.092 0.000 0.864 537 R HN 0.631 nan 8.270 nan 0.000 0.440 538 D N 0.727 121.215 120.400 0.147 0.000 2.221 538 D HA -0.148 4.497 4.640 0.009 0.000 0.204 538 D C 1.327 177.617 176.300 -0.018 0.000 0.982 538 D CA 1.072 55.059 54.000 -0.022 0.000 0.857 538 D CB 0.011 40.777 40.800 -0.056 0.000 0.934 538 D HN 0.342 nan 8.370 nan 0.000 0.475 539 E N -0.182 120.066 120.200 0.080 0.000 2.338 539 E HA -0.080 4.276 4.350 0.009 0.000 0.197 539 E C 2.085 178.755 176.600 0.117 0.000 1.007 539 E CA 0.079 56.562 56.400 0.138 0.000 0.849 539 E CB 0.046 29.908 29.700 0.270 0.000 0.774 539 E HN 0.349 nan 8.360 nan 0.000 0.506 540 L N 0.872 122.086 121.223 -0.016 0.000 2.191 540 L HA -0.170 4.175 4.340 0.009 0.000 0.212 540 L C 2.106 178.948 176.870 -0.047 0.000 1.103 540 L CA 1.054 55.795 54.840 -0.165 0.000 0.769 540 L CB -0.253 41.714 42.059 -0.152 0.000 0.908 540 L HN 0.013 nan 8.230 nan 0.000 0.438 541 K N 0.410 120.775 120.400 -0.058 0.000 2.362 541 K HA -0.140 4.185 4.320 0.009 0.000 0.200 541 K C 1.567 178.137 176.600 -0.050 0.000 1.046 541 K CA 0.927 57.150 56.287 -0.106 0.000 0.952 541 K CB -0.016 32.328 32.500 -0.259 0.000 0.753 541 K HN 0.357 nan 8.250 nan 0.000 0.466 542 K N 0.580 120.964 120.400 -0.028 0.000 2.404 542 K HA 0.085 4.410 4.320 0.009 0.000 0.194 542 K C 0.074 176.690 176.600 0.027 0.000 1.023 542 K CA -0.022 56.279 56.287 0.023 0.000 1.094 542 K CB 0.582 33.130 32.500 0.080 0.000 0.841 542 K HN -0.134 nan 8.250 nan 0.000 0.523 543 V N 2.099 121.976 119.914 -0.061 0.000 2.555 543 V HA -0.023 4.102 4.120 0.009 0.000 0.286 543 V C 0.617 176.758 176.094 0.077 0.000 1.044 543 V CA -0.434 61.872 62.300 0.009 0.000 1.026 543 V CB 1.343 33.154 31.823 -0.021 0.000 0.981 543 V HN 0.214 nan 8.190 nan 0.000 0.480 544 S N 5.871 121.650 115.700 0.131 0.000 2.563 544 S HA 0.039 4.514 4.470 0.009 0.000 0.294 544 S C 1.217 175.852 174.600 0.057 0.000 1.279 544 S CA 0.074 58.326 58.200 0.087 0.000 1.069 544 S CB -0.291 62.963 63.200 0.090 0.000 0.828 544 S HN 0.844 nan 8.310 nan 0.000 0.497 545 R N 0.544 121.069 120.500 0.040 0.000 3.977 545 R HA -0.152 4.193 4.340 0.009 0.000 0.428 545 R C -0.286 176.029 176.300 0.025 0.000 1.079 545 R CA 0.557 56.674 56.100 0.028 0.000 1.269 545 R CB -2.151 28.166 30.300 0.027 0.000 1.856 545 R HN 0.582 nan 8.270 nan 0.000 0.551 546 L N 2.146 123.385 121.223 0.027 0.000 2.389 546 L HA 0.385 4.730 4.340 0.009 0.000 0.265 546 L C 1.004 177.892 176.870 0.031 0.000 1.167 546 L CA 0.491 55.348 54.840 0.029 0.000 1.045 546 L CB -0.063 42.009 42.059 0.022 0.000 1.351 546 L HN 0.275 nan 8.230 nan 0.000 0.419 547 G N 2.137 110.954 108.800 0.028 0.000 2.563 547 G HA2 0.182 4.147 3.960 0.009 0.000 0.283 547 G HA3 0.182 4.147 3.960 0.009 0.000 0.283 547 G C 0.641 175.566 174.900 0.041 0.000 1.309 547 G CA -0.276 44.835 45.100 0.018 0.000 1.022 547 G HN 0.543 nan 8.290 nan 0.000 0.501 548 E N -0.581 119.630 120.200 0.018 0.000 2.150 548 E HA -0.094 4.262 4.350 0.009 0.000 0.193 548 E C 2.230 178.875 176.600 0.075 0.000 0.985 548 E CA 0.756 57.179 56.400 0.038 0.000 0.814 548 E CB 0.006 29.703 29.700 -0.005 0.000 0.752 548 E HN 0.404 nan 8.360 nan 0.000 0.466 549 K N 0.739 121.156 120.400 0.029 0.000 2.025 549 K HA -0.046 4.279 4.320 0.009 0.000 0.207 549 K C 2.066 178.657 176.600 -0.014 0.000 1.049 549 K CA 1.577 57.860 56.287 -0.006 0.000 0.933 549 K CB -0.622 31.865 32.500 -0.022 0.000 0.714 549 K HN -0.039 nan 8.250 nan 0.000 0.438 550 T N 0.548 115.111 114.554 0.016 0.000 2.746 550 T HA -0.118 4.237 4.350 0.009 0.000 0.267 550 T C 1.495 176.216 174.700 0.034 0.000 1.039 550 T CA 1.458 63.566 62.100 0.012 0.000 1.142 550 T CB -0.486 68.396 68.868 0.023 0.000 0.866 550 T HN 0.282 nan 8.240 nan 0.000 0.444 551 F N 1.934 121.849 119.950 -0.058 0.000 2.126 551 F HA -0.118 4.414 4.527 0.009 0.000 0.299 551 F C 2.488 178.263 175.800 -0.042 0.000 1.096 551 F CA 1.786 59.746 58.000 -0.068 0.000 1.255 551 F CB -0.224 38.728 39.000 -0.079 0.000 0.997 551 F HN 0.174 nan 8.300 nan 0.000 0.479 552 E N -0.385 119.879 120.200 0.106 0.000 2.058 552 E HA -0.265 4.090 4.350 0.009 0.000 0.194 552 E C 2.104 178.690 176.600 -0.023 0.000 0.997 552 E CA 1.493 57.940 56.400 0.079 0.000 0.801 552 E CB -0.144 29.544 29.700 -0.021 0.000 0.746 552 E HN 0.453 nan 8.360 nan 0.000 0.450 553 Q N -0.510 119.190 119.800 -0.166 0.000 2.167 553 Q HA -0.074 4.271 4.340 0.009 0.000 0.202 553 Q C 1.780 177.916 176.000 0.226 0.000 0.970 553 Q CA 1.438 57.172 55.803 -0.115 0.000 0.855 553 Q CB 0.032 28.689 28.738 -0.135 0.000 0.911 553 Q HN 0.376 nan 8.270 nan 0.000 0.438 554 A N 0.030 122.888 122.820 0.063 0.000 2.035 554 A HA 0.332 4.657 4.320 0.009 0.000 0.208 554 A C 2.230 179.789 177.584 -0.041 0.000 1.206 554 A CA 0.881 52.982 52.037 0.106 0.000 0.773 554 A CB -0.284 18.704 19.000 -0.020 0.000 0.878 554 A HN 0.262 nan 8.150 nan 0.000 0.469 555 A N 0.221 122.775 122.820 -0.443 0.000 1.892 555 A HA -0.012 4.313 4.320 0.009 0.000 0.218 555 A C 2.338 179.605 177.584 -0.529 0.000 1.188 555 A CA 2.118 53.696 52.037 -0.765 0.000 0.631 555 A CB -1.467 16.600 19.000 -1.555 0.000 0.822 555 A HN 0.839 nan 8.150 nan 0.000 0.447 556 G N -2.107 106.348 108.800 -0.575 0.000 2.470 556 G HA2 -0.075 3.890 3.960 0.009 0.000 0.220 556 G HA3 -0.075 3.890 3.960 0.009 0.000 0.220 556 G C 1.149 175.820 174.900 -0.382 0.000 1.121 556 G CA 0.993 45.791 45.100 -0.505 0.000 0.766 556 G HN 0.520 nan 8.290 nan 0.000 0.553 557 F N -0.228 119.736 119.950 0.023 0.000 2.746 557 F HA 0.421 4.953 4.527 0.008 0.000 0.297 557 F C 0.811 176.595 175.800 -0.026 0.000 1.113 557 F CA -0.289 57.731 58.000 0.033 0.000 1.367 557 F CB 0.357 39.390 39.000 0.056 0.000 1.111 557 F HN -0.130 nan 8.300 nan 0.000 0.590 558 L N 1.208 122.458 121.223 0.044 0.000 2.264 558 L HA 0.452 4.797 4.340 0.009 0.000 0.289 558 L C -0.093 176.753 176.870 -0.039 0.000 1.044 558 L CA -0.461 54.369 54.840 -0.018 0.000 0.807 558 L CB 1.226 43.226 42.059 -0.097 0.000 1.192 558 L HN -0.097 nan 8.230 nan 0.000 0.425 559 R N 1.943 122.440 120.500 -0.004 0.000 2.407 559 R HA 0.571 4.916 4.340 0.009 0.000 0.303 559 R C -1.020 175.289 176.300 0.015 0.000 0.981 559 R CA -0.472 55.630 56.100 0.004 0.000 0.905 559 R CB 1.957 32.269 30.300 0.019 0.000 1.099 559 R HN 0.319 nan 8.270 nan 0.000 0.459 560 V N 5.781 125.710 119.914 0.024 0.000 2.328 560 V HA 0.295 4.420 4.120 0.009 0.000 0.278 560 V C -0.239 175.880 176.094 0.042 0.000 1.021 560 V CA -0.626 61.704 62.300 0.050 0.000 0.838 560 V CB 1.414 33.279 31.823 0.069 0.000 0.999 560 V HN 0.687 nan 8.190 nan 0.000 0.447 561 M N 3.939 123.564 119.600 0.042 0.000 2.216 561 M HA 0.403 4.888 4.480 0.009 0.000 0.356 561 M C 0.846 177.165 176.300 0.031 0.000 1.205 561 M CA -0.021 55.298 55.300 0.031 0.000 1.122 561 M CB 0.103 32.719 32.600 0.028 0.000 1.571 561 M HN 0.662 nan 8.290 nan 0.000 0.464 562 N N 1.482 120.195 118.700 0.021 0.000 2.725 562 N HA -0.131 4.614 4.740 0.009 0.000 0.251 562 N C -0.050 175.475 175.510 0.025 0.000 1.031 562 N CA 1.016 54.077 53.050 0.018 0.000 0.720 562 N CB -0.662 37.835 38.487 0.017 0.000 0.930 562 N HN 1.018 nan 8.380 nan 0.000 0.543 563 G N -0.454 108.363 108.800 0.028 0.000 2.971 563 G HA2 0.352 4.317 3.960 0.009 0.000 0.235 563 G HA3 0.352 4.317 3.960 0.009 0.000 0.235 563 G C 0.628 175.543 174.900 0.026 0.000 1.351 563 G CA -0.195 44.927 45.100 0.037 0.000 1.039 563 G HN 0.058 nan 8.290 nan 0.000 0.563 564 D N -0.424 119.996 120.400 0.033 0.000 2.264 564 D HA -0.038 4.607 4.640 0.009 0.000 0.208 564 D C 0.384 176.691 176.300 0.012 0.000 0.966 564 D CA 0.898 54.912 54.000 0.023 0.000 0.864 564 D CB 0.253 41.073 40.800 0.032 0.000 0.933 564 D HN 0.196 nan 8.370 nan 0.000 0.499 565 N N 0.156 118.866 118.700 0.015 0.000 2.491 565 N HA 0.113 4.858 4.740 0.009 0.000 0.274 565 N C -2.112 173.375 175.510 -0.040 0.000 1.023 565 N CA -1.800 51.240 53.050 -0.016 0.000 0.902 565 N CB 2.419 40.915 38.487 0.014 0.000 1.267 565 N HN -0.247 nan 8.380 nan 0.000 0.503 566 P HA -0.087 nan 4.420 nan 0.000 0.222 566 P C 1.441 178.684 177.300 -0.096 0.000 1.147 566 P CA 0.731 63.790 63.100 -0.067 0.000 0.790 566 P CB 0.732 32.388 31.700 -0.074 0.000 0.780 567 L N -0.001 121.112 121.223 -0.184 0.000 2.141 567 L HA -0.099 4.246 4.340 0.009 0.000 0.209 567 L C 1.850 178.683 176.870 -0.062 0.000 1.094 567 L CA 1.238 55.929 54.840 -0.248 0.000 0.763 567 L CB -0.965 40.654 42.059 -0.734 0.000 0.908 567 L HN -0.089 nan 8.230 nan 0.000 0.437 568 D N 0.519 120.928 120.400 0.014 0.000 2.384 568 D HA -0.118 4.527 4.640 0.009 0.000 0.222 568 D C 1.756 178.073 176.300 0.029 0.000 0.976 568 D CA 1.065 55.111 54.000 0.078 0.000 0.915 568 D CB 0.164 41.015 40.800 0.085 0.000 0.896 568 D HN 0.322 nan 8.370 nan 0.000 0.523 569 A N 0.059 122.883 122.820 0.007 0.000 2.308 569 A HA 0.233 4.558 4.320 0.009 0.000 0.217 569 A C 1.102 178.688 177.584 0.003 0.000 1.216 569 A CA -0.044 51.996 52.037 0.006 0.000 0.864 569 A CB 0.153 19.153 19.000 0.001 0.000 0.902 569 A HN 0.194 nan 8.150 nan 0.000 0.499 570 S N -2.155 113.546 115.700 0.002 0.000 2.759 570 S HA 0.687 5.162 4.470 0.009 0.000 0.310 570 S C 0.702 175.308 174.600 0.010 0.000 1.123 570 S CA 0.017 58.219 58.200 0.003 0.000 0.959 570 S CB 1.515 64.710 63.200 -0.008 0.000 1.172 570 S HN 0.768 nan 8.310 nan 0.000 0.539 571 A N 0.266 123.095 122.820 0.015 0.000 2.278 571 A HA 0.464 4.789 4.320 0.009 0.000 0.212 571 A C 0.479 178.117 177.584 0.089 0.000 1.213 571 A CA -0.235 51.817 52.037 0.025 0.000 0.840 571 A CB -0.751 18.253 19.000 0.006 0.000 0.866 571 A HN 0.678 nan 8.150 nan 0.000 0.489 572 V N 2.379 122.336 119.914 0.072 0.000 2.540 572 V HA -0.025 4.100 4.120 0.009 0.000 0.297 572 V C 0.786 176.942 176.094 0.103 0.000 1.024 572 V CA -0.070 62.295 62.300 0.109 0.000 1.105 572 V CB -0.015 31.858 31.823 0.083 0.000 0.938 572 V HN 0.580 nan 8.190 nan 0.000 0.482 573 H N 8.012 127.005 119.070 -0.128 0.000 2.652 573 H HA 0.166 4.727 4.556 0.008 0.000 0.349 573 H C -1.748 173.350 175.328 -0.383 0.000 1.099 573 H CA -1.822 53.980 56.048 -0.410 0.000 1.417 573 H CB 2.015 31.303 29.762 -0.790 0.000 1.457 573 H HN 0.357 nan 8.280 nan 0.000 0.568 574 P HA -0.179 nan 4.420 nan 0.000 0.217 574 P C 1.104 178.152 177.300 -0.419 0.000 1.148 574 P CA 1.822 64.197 63.100 -1.209 0.000 0.828 574 P CB 0.033 31.299 31.700 -0.725 0.000 0.783 575 E N -0.426 119.862 120.200 0.147 0.000 2.333 575 E HA -0.130 4.225 4.350 0.009 0.000 0.198 575 E C 0.760 177.349 176.600 -0.017 0.000 1.007 575 E CA 1.555 58.036 56.400 0.135 0.000 0.845 575 E CB -0.992 28.805 29.700 0.162 0.000 0.766 575 E HN 0.257 nan 8.360 nan 0.000 0.507 576 T N -2.908 111.555 114.554 -0.150 0.000 3.174 576 T HA 0.139 4.495 4.350 0.009 0.000 0.269 576 T C 0.788 175.517 174.700 0.048 0.000 1.017 576 T CA -0.576 61.344 62.100 -0.300 0.000 0.899 576 T CB -0.212 68.325 68.868 -0.551 0.000 1.077 576 T HN 0.029 nan 8.240 nan 0.000 0.552 577 Y N 2.587 122.840 120.300 -0.078 0.000 2.145 577 Y HA 0.120 4.675 4.550 0.009 0.000 0.286 577 Y C -0.565 175.317 175.900 -0.030 0.000 1.145 577 Y CA 0.067 58.138 58.100 -0.048 0.000 1.148 577 Y CB -1.896 36.554 38.460 -0.017 0.000 0.981 577 Y HN 0.306 nan 8.280 nan 0.000 0.507 578 P HA -0.178 nan 4.420 nan 0.000 0.216 578 P C 2.120 179.467 177.300 0.078 0.000 1.150 578 P CA 1.351 64.516 63.100 0.109 0.000 0.837 578 P CB -0.156 31.618 31.700 0.124 0.000 0.786 579 L N -0.613 120.646 121.223 0.060 0.000 2.056 579 L HA -0.098 4.247 4.340 0.009 0.000 0.207 579 L C 2.239 179.094 176.870 -0.026 0.000 1.078 579 L CA 1.328 56.193 54.840 0.041 0.000 0.749 579 L CB -0.692 41.366 42.059 -0.001 0.000 0.901 579 L HN -0.157 nan 8.230 nan 0.000 0.433 580 V N -0.530 119.350 119.914 -0.057 0.000 2.809 580 V HA -0.233 3.893 4.120 0.009 0.000 0.256 580 V C 2.306 178.344 176.094 -0.094 0.000 1.080 580 V CA 1.800 64.032 62.300 -0.114 0.000 1.102 580 V CB -0.061 31.687 31.823 -0.126 0.000 0.705 580 V HN 0.676 nan 8.190 nan 0.000 0.475 581 Q N 0.297 120.072 119.800 -0.041 0.000 2.297 581 Q HA -0.055 4.290 4.340 0.009 0.000 0.204 581 Q C 2.170 178.172 176.000 0.003 0.000 0.962 581 Q CA 1.534 57.325 55.803 -0.020 0.000 0.879 581 Q CB -0.260 28.483 28.738 0.008 0.000 0.947 581 Q HN 0.616 nan 8.270 nan 0.000 0.462 582 R N -0.605 119.906 120.500 0.018 0.000 2.093 582 R HA 0.096 4.441 4.340 0.009 0.000 0.224 582 R C 2.142 178.476 176.300 0.058 0.000 1.101 582 R CA 1.143 57.286 56.100 0.071 0.000 0.979 582 R CB -0.137 30.242 30.300 0.131 0.000 0.877 582 R HN 0.331 nan 8.270 nan 0.000 0.441 583 I N 0.698 121.190 120.570 -0.129 0.000 2.286 583 I HA -0.242 3.933 4.170 0.009 0.000 0.248 583 I C 2.545 178.595 176.117 -0.112 0.000 1.115 583 I CA 1.198 62.264 61.300 -0.390 0.000 1.392 583 I CB -0.313 37.303 38.000 -0.640 0.000 1.065 583 I HN 0.154 nan 8.210 nan 0.000 0.418 584 A N 0.655 123.438 122.820 -0.061 0.000 1.898 584 A HA -0.088 4.237 4.320 0.009 0.000 0.216 584 A C 2.540 180.143 177.584 0.031 0.000 1.181 584 A CA 1.642 53.673 52.037 -0.010 0.000 0.620 584 A CB -0.729 18.253 19.000 -0.030 0.000 0.819 584 A HN 0.407 nan 8.150 nan 0.000 0.442 585 A N 0.072 122.918 122.820 0.044 0.000 1.858 585 A HA -0.195 4.130 4.320 0.009 0.000 0.216 585 A C 1.842 179.484 177.584 0.097 0.000 1.190 585 A CA 2.122 54.197 52.037 0.062 0.000 0.617 585 A CB -0.817 18.222 19.000 0.064 0.000 0.827 585 A HN 0.543 nan 8.150 nan 0.000 0.443 586 D N -0.627 119.864 120.400 0.152 0.000 2.149 586 D HA -0.144 4.501 4.640 0.009 0.000 0.198 586 D C 1.905 178.318 176.300 0.188 0.000 0.990 586 D CA 2.137 56.257 54.000 0.200 0.000 0.839 586 D CB -0.046 40.976 40.800 0.371 0.000 0.948 586 D HN 0.501 nan 8.370 nan 0.000 0.460 587 T N -3.039 111.632 114.554 0.196 0.000 3.107 587 T HA 0.135 4.490 4.350 0.009 0.000 0.249 587 T C 0.463 175.242 174.700 0.131 0.000 1.096 587 T CA 0.151 62.389 62.100 0.230 0.000 1.012 587 T CB -0.305 68.783 68.868 0.366 0.000 0.977 587 T HN 0.263 nan 8.240 nan 0.000 0.527 588 E N 0.525 120.775 120.200 0.084 0.000 2.403 588 E HA -0.205 4.150 4.350 0.009 0.000 0.241 588 E C -0.208 176.392 176.600 -0.000 0.000 1.201 588 E CA 0.284 56.707 56.400 0.038 0.000 0.721 588 E CB -1.052 28.669 29.700 0.036 0.000 1.245 588 E HN 0.639 nan 8.360 nan 0.000 0.392 589 R N 0.955 121.449 120.500 -0.009 0.000 2.686 589 R HA 0.178 4.523 4.340 0.009 0.000 0.286 589 R C -0.417 175.858 176.300 -0.042 0.000 0.969 589 R CA -0.946 55.120 56.100 -0.058 0.000 0.898 589 R CB 1.153 31.373 30.300 -0.133 0.000 1.183 589 R HN 0.086 nan 8.270 nan 0.000 0.456 590 D N 2.688 123.058 120.400 -0.051 0.000 2.362 590 D HA -0.000 4.645 4.640 0.009 0.000 0.242 590 D C 1.169 177.436 176.300 -0.056 0.000 1.132 590 D CA -0.220 53.752 54.000 -0.046 0.000 0.907 590 D CB 0.901 41.675 40.800 -0.043 0.000 1.195 590 D HN 0.467 nan 8.370 nan 0.000 0.429 591 I N 0.442 120.976 120.570 -0.060 0.000 2.264 591 I HA -0.292 3.883 4.170 0.009 0.000 0.248 591 I C 2.561 178.637 176.117 -0.069 0.000 1.111 591 I CA 1.077 62.333 61.300 -0.074 0.000 1.382 591 I CB -0.278 37.660 38.000 -0.104 0.000 1.060 591 I HN 0.302 nan 8.210 nan 0.000 0.418 592 R N 0.570 121.033 120.500 -0.063 0.000 2.152 592 R HA -0.127 4.218 4.340 0.009 0.000 0.232 592 R C 2.551 178.819 176.300 -0.053 0.000 1.117 592 R CA 1.685 57.752 56.100 -0.055 0.000 0.981 592 R CB -0.300 29.972 30.300 -0.047 0.000 0.870 592 R HN 0.497 nan 8.270 nan 0.000 0.451 593 S N 0.569 116.231 115.700 -0.063 0.000 2.414 593 S HA -0.008 4.467 4.470 0.009 0.000 0.227 593 S C 2.039 176.591 174.600 -0.079 0.000 1.022 593 S CA 0.387 58.540 58.200 -0.078 0.000 0.958 593 S CB -0.247 62.890 63.200 -0.105 0.000 0.797 593 S HN 0.182 nan 8.310 nan 0.000 0.493 594 L N 1.012 122.198 121.223 -0.061 0.000 2.042 594 L HA 0.091 4.436 4.340 0.009 0.000 0.210 594 L C 0.982 177.857 176.870 0.008 0.000 1.076 594 L CA 0.767 55.602 54.840 -0.008 0.000 0.749 594 L CB -0.780 41.289 42.059 0.017 0.000 0.893 594 L HN 0.292 nan 8.230 nan 0.000 0.432 595 I N 0.839 121.399 120.570 -0.018 0.000 2.742 595 I HA -0.089 4.086 4.170 0.009 0.000 0.287 595 I C 1.423 177.537 176.117 -0.005 0.000 1.186 595 I CA 1.020 62.311 61.300 -0.015 0.000 1.417 595 I CB 0.078 38.060 38.000 -0.030 0.000 1.377 595 I HN 0.430 nan 8.210 nan 0.000 0.556 596 G N 4.518 113.322 108.800 0.007 0.000 2.225 596 G HA2 -0.281 3.684 3.960 0.009 0.000 0.254 596 G HA3 -0.281 3.684 3.960 0.009 0.000 0.254 596 G C 0.388 175.303 174.900 0.024 0.000 0.988 596 G CA 0.070 45.177 45.100 0.011 0.000 0.625 596 G HN 0.673 nan 8.290 nan 0.000 0.527 597 D N 1.500 121.923 120.400 0.039 0.000 2.600 597 D HA 0.517 5.162 4.640 0.009 0.000 0.226 597 D C 1.838 178.200 176.300 0.103 0.000 1.119 597 D CA 0.624 54.664 54.000 0.068 0.000 1.051 597 D CB -0.166 40.678 40.800 0.074 0.000 1.106 597 D HN 0.244 nan 8.370 nan 0.000 0.491 598 S N 1.067 116.807 115.700 0.066 0.000 2.365 598 S HA -0.255 4.221 4.470 0.009 0.000 0.225 598 S C 2.046 176.686 174.600 0.067 0.000 1.039 598 S CA 1.253 59.486 58.200 0.055 0.000 1.033 598 S CB -0.102 63.120 63.200 0.036 0.000 0.887 598 S HN 0.603 nan 8.310 nan 0.000 0.447 599 A N 1.016 123.886 122.820 0.083 0.000 1.898 599 A HA -0.007 4.318 4.320 0.009 0.000 0.216 599 A C 1.933 179.584 177.584 0.111 0.000 1.181 599 A CA 1.372 53.458 52.037 0.082 0.000 0.620 599 A CB -0.849 18.200 19.000 0.081 0.000 0.819 599 A HN 0.463 nan 8.150 nan 0.000 0.442 600 F N 0.634 120.587 119.950 0.005 0.000 2.102 600 F HA -0.113 4.417 4.527 0.006 0.000 0.298 600 F C 1.918 177.725 175.800 0.011 0.000 1.105 600 F CA 1.709 59.714 58.000 0.009 0.000 1.239 600 F CB -0.338 38.664 39.000 0.003 0.000 0.991 600 F HN 0.130 nan 8.300 nan 0.000 0.474 601 L N 0.301 121.551 121.223 0.045 0.000 2.046 601 L HA -0.251 4.094 4.340 0.009 0.000 0.208 601 L C 2.554 179.369 176.870 -0.093 0.000 1.077 601 L CA 1.770 56.574 54.840 -0.060 0.000 0.747 601 L CB -0.789 41.290 42.059 0.032 0.000 0.896 601 L HN 0.118 nan 8.230 nan 0.000 0.432 602 K N 0.230 120.604 120.400 -0.044 0.000 2.152 602 K HA -0.178 4.147 4.320 0.009 0.000 0.206 602 K C 2.248 178.809 176.600 -0.065 0.000 1.048 602 K CA 1.246 57.511 56.287 -0.037 0.000 0.933 602 K CB 0.067 32.562 32.500 -0.008 0.000 0.721 602 K HN 0.238 nan 8.250 nan 0.000 0.447 603 R N 0.042 120.473 120.500 -0.115 0.000 2.153 603 R HA 0.036 4.381 4.340 0.009 0.000 0.218 603 R C 0.434 176.642 176.300 -0.153 0.000 1.072 603 R CA 0.002 56.026 56.100 -0.128 0.000 0.990 603 R CB -0.014 30.198 30.300 -0.146 0.000 0.889 603 R HN 0.110 nan 8.270 nan 0.000 0.452 604 L N 2.131 123.226 121.223 -0.214 0.000 2.543 604 L HA -0.070 4.275 4.340 0.009 0.000 0.285 604 L C 0.109 176.972 176.870 -0.012 0.000 1.236 604 L CA 0.896 55.660 54.840 -0.127 0.000 0.871 604 L CB 0.105 42.090 42.059 -0.123 0.000 1.121 604 L HN 0.060 nan 8.230 nan 0.000 0.501 605 D N 5.169 125.595 120.400 0.044 0.000 2.373 605 D HA 0.247 4.892 4.640 0.009 0.000 0.227 605 D C -1.623 174.747 176.300 0.117 0.000 1.091 605 D CA -1.946 52.074 54.000 0.032 0.000 0.840 605 D CB 1.659 42.438 40.800 -0.033 0.000 1.060 605 D HN 0.203 nan 8.370 nan 0.000 0.502 606 P HA -0.118 nan 4.420 nan 0.000 0.216 606 P C 1.038 178.427 177.300 0.148 0.000 1.150 606 P CA 1.009 64.224 63.100 0.191 0.000 0.837 606 P CB 0.346 32.105 31.700 0.099 0.000 0.786 607 K N -0.029 120.395 120.400 0.040 0.000 2.281 607 K HA -0.154 4.172 4.320 0.009 0.000 0.203 607 K C 2.070 178.614 176.600 -0.093 0.000 1.046 607 K CA 1.026 57.308 56.287 -0.009 0.000 0.938 607 K CB -0.248 32.237 32.500 -0.024 0.000 0.737 607 K HN 0.132 nan 8.250 nan 0.000 0.458 608 K N -0.177 120.076 120.400 -0.245 0.000 2.362 608 K HA -0.086 4.239 4.320 0.009 0.000 0.200 608 K C 0.736 176.942 176.600 -0.656 0.000 1.046 608 K CA 1.026 56.973 56.287 -0.566 0.000 0.952 608 K CB 0.180 32.111 32.500 -0.947 0.000 0.753 608 K HN 0.074 nan 8.250 nan 0.000 0.466 609 F N -0.287 119.675 119.950 0.021 0.000 2.706 609 F HA 0.078 4.610 4.527 0.009 0.000 0.313 609 F C 0.667 176.502 175.800 0.058 0.000 1.096 609 F CA -0.713 57.309 58.000 0.036 0.000 1.219 609 F CB 0.337 39.354 39.000 0.030 0.000 1.051 609 F HN -0.166 nan 8.300 nan 0.000 0.568 610 T N -0.716 113.939 114.554 0.169 0.000 2.900 610 T HA 0.397 4.752 4.350 0.009 0.000 0.307 610 T C -0.276 174.495 174.700 0.119 0.000 1.065 610 T CA -0.396 61.792 62.100 0.147 0.000 1.105 610 T CB 1.440 70.365 68.868 0.096 0.000 0.979 610 T HN 0.244 nan 8.240 nan 0.000 0.544 611 D N -0.477 119.997 120.400 0.123 0.000 2.904 611 D HA 0.264 4.909 4.640 0.009 0.000 0.290 611 D C 0.952 177.263 176.300 0.019 0.000 1.180 611 D CA -0.849 53.193 54.000 0.071 0.000 1.065 611 D CB 0.327 41.180 40.800 0.089 0.000 1.386 611 D HN 0.526 nan 8.370 nan 0.000 0.599 612 E N -1.090 119.096 120.200 -0.023 0.000 2.106 612 E HA -0.113 4.242 4.350 0.009 0.000 0.192 612 E C 1.198 177.727 176.600 -0.119 0.000 0.984 612 E CA 1.484 57.851 56.400 -0.055 0.000 0.806 612 E CB 0.052 29.719 29.700 -0.054 0.000 0.750 612 E HN 0.519 nan 8.360 nan 0.000 0.458 613 T N -0.197 114.212 114.554 -0.240 0.000 2.852 613 T HA 0.022 4.377 4.350 0.009 0.000 0.256 613 T C 0.296 174.711 174.700 -0.474 0.000 1.038 613 T CA 0.622 62.431 62.100 -0.485 0.000 1.141 613 T CB -0.066 68.252 68.868 -0.916 0.000 0.869 613 T HN 0.022 nan 8.240 nan 0.000 0.439 614 F N 2.006 121.974 119.950 0.030 0.000 2.293 614 F HA 0.587 5.120 4.527 0.010 0.000 0.370 614 F C 1.149 176.971 175.800 0.037 0.000 1.090 614 F CA -1.258 56.762 58.000 0.033 0.000 1.133 614 F CB 0.723 39.749 39.000 0.043 0.000 1.360 614 F HN 0.117 nan 8.300 nan 0.000 0.489 615 G N 1.615 110.517 108.800 0.169 0.000 2.494 615 G HA2 0.198 4.163 3.960 0.009 0.000 0.270 615 G HA3 0.198 4.163 3.960 0.009 0.000 0.270 615 G C 0.742 175.707 174.900 0.109 0.000 1.423 615 G CA -0.508 44.656 45.100 0.107 0.000 1.055 615 G HN 0.532 nan 8.290 nan 0.000 0.536 616 L N 0.877 122.143 121.223 0.073 0.000 2.046 616 L HA 0.055 4.400 4.340 0.009 0.000 0.208 616 L C 0.073 176.974 176.870 0.053 0.000 1.077 616 L CA 1.973 56.850 54.840 0.061 0.000 0.747 616 L CB -0.947 41.136 42.059 0.040 0.000 0.896 616 L HN 0.292 nan 8.230 nan 0.000 0.432 617 P HA -0.133 nan 4.420 nan 0.000 0.216 617 P C 1.614 178.933 177.300 0.030 0.000 1.153 617 P CA 1.808 64.924 63.100 0.026 0.000 0.858 617 P CB -0.149 31.562 31.700 0.018 0.000 0.789 618 T N -0.677 113.915 114.554 0.063 0.000 2.674 618 T HA -0.100 4.255 4.350 0.009 0.000 0.265 618 T C 1.871 176.591 174.700 0.034 0.000 1.039 618 T CA 1.410 63.548 62.100 0.063 0.000 1.150 618 T CB -1.098 67.853 68.868 0.139 0.000 0.864 618 T HN -0.129 nan 8.240 nan 0.000 0.427 619 V N 2.323 122.273 119.914 0.060 0.000 2.295 619 V HA -0.212 3.913 4.120 0.009 0.000 0.246 619 V C 3.065 179.174 176.094 0.025 0.000 1.049 619 V CA 2.255 64.584 62.300 0.047 0.000 1.024 619 V CB -1.486 30.402 31.823 0.108 0.000 0.648 619 V HN 0.767 nan 8.190 nan 0.000 0.447 620 T N -2.277 112.295 114.554 0.030 0.000 2.746 620 T HA -0.252 4.103 4.350 0.009 0.000 0.267 620 T C 1.616 176.315 174.700 -0.001 0.000 1.039 620 T CA 1.685 63.794 62.100 0.015 0.000 1.142 620 T CB -0.504 68.373 68.868 0.015 0.000 0.866 620 T HN 0.399 nan 8.240 nan 0.000 0.444 621 D N 1.362 121.759 120.400 -0.005 0.000 2.104 621 D HA -0.008 4.637 4.640 0.009 0.000 0.194 621 D C 2.102 178.393 176.300 -0.015 0.000 0.994 621 D CA 0.976 54.966 54.000 -0.017 0.000 0.830 621 D CB -0.373 40.410 40.800 -0.028 0.000 0.959 621 D HN 0.452 nan 8.370 nan 0.000 0.452 622 I N 0.634 121.194 120.570 -0.016 0.000 2.163 622 I HA -0.260 3.915 4.170 0.009 0.000 0.243 622 I C 2.423 178.518 176.117 -0.037 0.000 1.085 622 I CA 0.747 62.030 61.300 -0.029 0.000 1.347 622 I CB -0.169 37.800 38.000 -0.052 0.000 1.044 622 I HN -0.010 nan 8.210 nan 0.000 0.408 623 L N 0.239 121.441 121.223 -0.036 0.000 2.083 623 L HA -0.227 4.118 4.340 0.009 0.000 0.209 623 L C 2.522 179.381 176.870 -0.020 0.000 1.083 623 L CA 1.416 56.235 54.840 -0.035 0.000 0.752 623 L CB -0.630 41.411 42.059 -0.031 0.000 0.899 623 L HN 0.202 nan 8.230 nan 0.000 0.433 624 K N -0.333 120.059 120.400 -0.014 0.000 2.097 624 K HA -0.148 4.177 4.320 0.009 0.000 0.205 624 K C 2.081 178.676 176.600 -0.008 0.000 1.050 624 K CA 0.973 57.254 56.287 -0.009 0.000 0.938 624 K CB 0.018 32.512 32.500 -0.009 0.000 0.718 624 K HN 0.216 nan 8.250 nan 0.000 0.442 625 E N 0.884 121.077 120.200 -0.012 0.000 2.152 625 E HA -0.092 4.263 4.350 0.009 0.000 0.192 625 E C 2.041 178.632 176.600 -0.015 0.000 0.983 625 E CA 0.687 57.081 56.400 -0.011 0.000 0.818 625 E CB -0.013 29.683 29.700 -0.007 0.000 0.758 625 E HN 0.299 nan 8.360 nan 0.000 0.467 626 L N 0.907 122.117 121.223 -0.022 0.000 2.141 626 L HA -0.188 4.157 4.340 0.009 0.000 0.209 626 L C 2.298 179.164 176.870 -0.007 0.000 1.094 626 L CA 1.113 55.939 54.840 -0.024 0.000 0.763 626 L CB -0.265 41.776 42.059 -0.029 0.000 0.908 626 L HN 0.039 nan 8.230 nan 0.000 0.437 627 D N 0.582 120.982 120.400 0.001 0.000 2.103 627 D HA -0.101 4.544 4.640 0.009 0.000 0.199 627 D C 0.545 176.849 176.300 0.007 0.000 0.978 627 D CA 1.254 55.260 54.000 0.010 0.000 0.829 627 D CB 0.322 41.129 40.800 0.012 0.000 0.981 627 D HN 0.079 nan 8.370 nan 0.000 0.464 628 K N 0.305 120.707 120.400 0.003 0.000 2.687 628 K HA 0.338 4.663 4.320 0.009 0.000 0.197 628 K C -2.644 173.958 176.600 0.003 0.000 1.049 628 K CA -1.645 54.645 56.287 0.005 0.000 1.030 628 K CB 2.487 34.992 32.500 0.009 0.000 1.261 628 K HN 0.003 nan 8.250 nan 0.000 0.565 629 P HA -0.020 nan 4.420 nan 0.000 0.263 629 P C 0.687 177.991 177.300 0.006 0.000 1.195 629 P CA 0.579 63.677 63.100 -0.002 0.000 0.762 629 P CB 0.742 32.437 31.700 -0.008 0.000 0.799 630 G N 2.845 111.650 108.800 0.009 0.000 2.321 630 G HA2 -0.342 3.623 3.960 0.009 0.000 0.287 630 G HA3 -0.342 3.623 3.960 0.009 0.000 0.287 630 G C 0.403 175.315 174.900 0.020 0.000 1.018 630 G CA -0.145 44.966 45.100 0.017 0.000 0.855 630 G HN 0.747 nan 8.290 nan 0.000 0.507 631 R N 0.351 120.861 120.500 0.017 0.000 2.504 631 R HA 0.068 4.413 4.340 0.009 0.000 0.291 631 R C -0.312 176.002 176.300 0.024 0.000 0.974 631 R CA 0.064 56.175 56.100 0.019 0.000 1.077 631 R CB 0.273 30.582 30.300 0.016 0.000 0.926 631 R HN 0.198 nan 8.270 nan 0.000 0.407 632 D N 6.337 126.752 120.400 0.026 0.000 2.339 632 D HA 0.073 4.718 4.640 0.009 0.000 0.256 632 D C -1.361 174.957 176.300 0.029 0.000 1.214 632 D CA -1.936 52.081 54.000 0.028 0.000 0.877 632 D CB 1.488 42.305 40.800 0.028 0.000 1.111 632 D HN 0.430 nan 8.370 nan 0.000 0.478 633 P HA -0.064 nan 4.420 nan 0.000 0.226 633 P C 0.165 177.485 177.300 0.033 0.000 1.153 633 P CA 0.405 63.523 63.100 0.031 0.000 0.777 633 P CB 0.476 32.195 31.700 0.032 0.000 0.794 634 R N 1.041 121.560 120.500 0.032 0.000 2.539 634 R HA 0.308 4.653 4.340 0.009 0.000 0.275 634 R C -1.991 174.335 176.300 0.044 0.000 1.077 634 R CA -1.615 54.507 56.100 0.037 0.000 1.097 634 R CB -0.526 29.795 30.300 0.035 0.000 1.018 634 R HN 0.131 nan 8.270 nan 0.000 0.483 635 P HA 0.067 nan 4.420 nan 0.000 0.276 635 P C -0.863 176.482 177.300 0.075 0.000 1.261 635 P CA -0.465 62.665 63.100 0.050 0.000 0.800 635 P CB 0.511 32.230 31.700 0.033 0.000 1.066 636 E N -0.453 119.795 120.200 0.081 0.000 2.390 636 E HA 0.144 4.499 4.350 0.009 0.000 0.261 636 E C -0.633 176.060 176.600 0.154 0.000 1.076 636 E CA -0.267 56.203 56.400 0.117 0.000 0.905 636 E CB 0.176 29.936 29.700 0.101 0.000 0.984 636 E HN 0.323 nan 8.360 nan 0.000 0.427 637 F N 2.584 122.559 119.950 0.041 0.000 2.444 637 F HA 0.141 4.671 4.527 0.006 0.000 0.360 637 F C 0.475 176.320 175.800 0.074 0.000 1.106 637 F CA 0.027 58.055 58.000 0.046 0.000 1.170 637 F CB 0.424 39.443 39.000 0.032 0.000 1.113 637 F HN 0.184 nan 8.300 nan 0.000 0.521 638 K N 4.004 124.267 120.400 -0.230 0.000 2.644 638 K HA 0.092 4.417 4.320 0.009 0.000 0.198 638 K C 1.281 177.848 176.600 -0.055 0.000 1.113 638 K CA 0.140 56.410 56.287 -0.029 0.000 1.073 638 K CB 0.454 33.055 32.500 0.168 0.000 0.811 638 K HN 0.611 nan 8.250 nan 0.000 0.508 639 T N 1.148 115.406 114.554 -0.493 0.000 2.665 639 T HA -0.198 4.157 4.350 0.009 0.000 0.268 639 T C 1.907 176.569 174.700 -0.064 0.000 1.035 639 T CA 2.007 63.900 62.100 -0.344 0.000 1.151 639 T CB 0.030 68.509 68.868 -0.649 0.000 0.862 639 T HN 0.366 nan 8.240 nan 0.000 0.438 640 A N 1.437 124.245 122.820 -0.020 0.000 1.908 640 A HA -0.146 4.179 4.320 0.009 0.000 0.218 640 A C 2.205 179.799 177.584 0.016 0.000 1.181 640 A CA 1.842 53.905 52.037 0.043 0.000 0.627 640 A CB -0.610 18.442 19.000 0.087 0.000 0.818 640 A HN 0.445 nan 8.150 nan 0.000 0.445 641 E N -0.898 119.295 120.200 -0.012 0.000 2.160 641 E HA -0.134 4.221 4.350 0.009 0.000 0.195 641 E C 1.434 177.907 176.600 -0.211 0.000 0.991 641 E CA 1.319 57.649 56.400 -0.116 0.000 0.810 641 E CB -0.363 29.235 29.700 -0.171 0.000 0.742 641 E HN 0.733 nan 8.360 nan 0.000 0.466 642 F N 0.308 120.216 119.950 -0.070 0.000 2.569 642 F HA 0.049 4.583 4.527 0.010 0.000 0.295 642 F C 2.182 177.948 175.800 -0.056 0.000 1.115 642 F CA 0.517 58.475 58.000 -0.070 0.000 1.450 642 F CB 0.169 39.114 39.000 -0.092 0.000 1.107 642 F HN -0.038 nan 8.300 nan 0.000 0.563 643 Q N 0.089 119.951 119.800 0.103 0.000 2.172 643 Q HA -0.169 4.176 4.340 0.009 0.000 0.200 643 Q C 1.602 177.619 176.000 0.030 0.000 0.964 643 Q CA 1.393 57.230 55.803 0.057 0.000 0.855 643 Q CB -0.105 28.659 28.738 0.045 0.000 0.918 643 Q HN 0.501 nan 8.270 nan 0.000 0.444 644 E N -0.813 119.390 120.200 0.006 0.000 2.371 644 E HA 0.036 4.391 4.350 0.009 0.000 0.194 644 E C 0.717 177.303 176.600 -0.025 0.000 1.012 644 E CA 0.382 56.777 56.400 -0.008 0.000 0.860 644 E CB 0.395 30.085 29.700 -0.017 0.000 0.811 644 E HN 0.447 nan 8.360 nan 0.000 0.502 645 G N 1.452 110.221 108.800 -0.053 0.000 2.160 645 G HA2 -0.275 3.690 3.960 0.009 0.000 0.244 645 G HA3 -0.275 3.690 3.960 0.009 0.000 0.244 645 G C 0.714 175.552 174.900 -0.104 0.000 1.022 645 G CA 0.404 45.459 45.100 -0.075 0.000 0.741 645 G HN 0.391 nan 8.290 nan 0.000 0.508 646 V N -3.330 116.491 119.914 -0.155 0.000 3.271 646 V HA 0.503 4.628 4.120 0.009 0.000 0.327 646 V C 0.470 176.443 176.094 -0.200 0.000 1.389 646 V CA -0.292 61.932 62.300 -0.127 0.000 1.156 646 V CB 0.404 32.175 31.823 -0.087 0.000 1.103 646 V HN 0.268 nan 8.190 nan 0.000 0.453 647 E N 2.187 122.174 120.200 -0.355 0.000 2.231 647 E HA 0.575 4.931 4.350 0.009 0.000 0.277 647 E C -0.077 176.401 176.600 -0.203 0.000 0.999 647 E CA 0.238 56.389 56.400 -0.414 0.000 0.827 647 E CB 2.195 31.287 29.700 -1.012 0.000 1.101 647 E HN 0.700 nan 8.360 nan 0.000 0.393 648 S N 1.433 117.073 115.700 -0.100 0.000 2.689 648 S HA 0.317 4.792 4.470 0.009 0.000 0.306 648 S C 0.981 175.591 174.600 0.016 0.000 1.104 648 S CA -0.819 57.377 58.200 -0.006 0.000 0.973 648 S CB 1.183 64.396 63.200 0.022 0.000 1.121 648 S HN 0.562 nan 8.310 nan 0.000 0.523 649 L N 1.310 122.562 121.223 0.047 0.000 2.079 649 L HA -0.090 4.255 4.340 0.009 0.000 0.210 649 L C 2.695 179.592 176.870 0.046 0.000 1.081 649 L CA 1.776 56.650 54.840 0.056 0.000 0.752 649 L CB -0.415 41.679 42.059 0.058 0.000 0.896 649 L HN 0.968 nan 8.230 nan 0.000 0.433 650 K N -0.445 119.976 120.400 0.034 0.000 2.127 650 K HA -0.246 4.080 4.320 0.009 0.000 0.208 650 K C 1.112 177.729 176.600 0.027 0.000 1.047 650 K CA 2.022 58.325 56.287 0.027 0.000 0.927 650 K CB -0.139 32.372 32.500 0.018 0.000 0.716 650 K HN 0.481 nan 8.250 nan 0.000 0.450 651 D N 0.419 120.834 120.400 0.024 0.000 2.340 651 D HA 0.036 4.682 4.640 0.009 0.000 0.220 651 D C 0.323 176.659 176.300 0.059 0.000 1.039 651 D CA 0.256 54.271 54.000 0.025 0.000 0.866 651 D CB 0.151 40.945 40.800 -0.011 0.000 0.913 651 D HN 0.204 nan 8.370 nan 0.000 0.523 652 L N 1.300 122.567 121.223 0.074 0.000 2.397 652 L HA 0.182 4.527 4.340 0.009 0.000 0.271 652 L C 0.624 177.533 176.870 0.065 0.000 1.148 652 L CA -0.030 54.867 54.840 0.095 0.000 0.825 652 L CB 0.705 42.822 42.059 0.097 0.000 1.117 652 L HN -0.362 nan 8.230 nan 0.000 0.456 653 K N 2.835 123.271 120.400 0.061 0.000 2.316 653 K HA 0.480 4.805 4.320 0.009 0.000 0.251 653 K C -2.565 174.053 176.600 0.031 0.000 0.934 653 K CA -2.217 54.095 56.287 0.043 0.000 0.802 653 K CB 1.665 34.190 32.500 0.042 0.000 1.171 653 K HN 0.139 nan 8.250 nan 0.000 0.426 654 P HA -0.040 nan 4.420 nan 0.000 0.263 654 P C 0.806 178.115 177.300 0.015 0.000 1.175 654 P CA 1.170 64.280 63.100 0.017 0.000 0.761 654 P CB 0.374 32.083 31.700 0.016 0.000 0.794 655 G N 1.888 110.693 108.800 0.008 0.000 2.279 655 G HA2 -0.250 3.716 3.960 0.009 0.000 0.223 655 G HA3 -0.250 3.716 3.960 0.009 0.000 0.223 655 G C 0.242 175.141 174.900 -0.001 0.000 1.015 655 G CA -0.293 44.813 45.100 0.009 0.000 0.621 655 G HN 0.472 nan 8.290 nan 0.000 0.506 656 M N 1.633 121.229 119.600 -0.008 0.000 2.252 656 M HA 0.382 4.867 4.480 0.009 0.000 0.348 656 M C 0.310 176.566 176.300 -0.073 0.000 1.334 656 M CA 0.434 55.712 55.300 -0.037 0.000 1.071 656 M CB 1.121 33.699 32.600 -0.038 0.000 1.763 656 M HN -0.006 nan 8.290 nan 0.000 0.452 657 V N 6.171 126.031 119.914 -0.090 0.000 2.394 657 V HA 0.559 4.684 4.120 0.009 0.000 0.282 657 V C -0.028 175.949 176.094 -0.195 0.000 1.031 657 V CA -0.522 61.714 62.300 -0.108 0.000 0.881 657 V CB 1.207 32.992 31.823 -0.064 0.000 0.982 657 V HN 0.703 nan 8.190 nan 0.000 0.451 658 L N 3.066 124.155 121.223 -0.223 0.000 2.415 658 L HA 0.595 4.940 4.340 0.009 0.000 0.256 658 L C -0.246 176.483 176.870 -0.236 0.000 1.010 658 L CA -0.684 53.950 54.840 -0.344 0.000 0.826 658 L CB 2.594 44.348 42.059 -0.508 0.000 1.405 658 L HN 0.594 nan 8.230 nan 0.000 0.410 659 E N 0.559 120.617 120.200 -0.237 0.000 2.289 659 E HA 0.527 4.882 4.350 0.009 0.000 0.278 659 E C -0.674 175.853 176.600 -0.122 0.000 1.032 659 E CA -0.285 56.030 56.400 -0.142 0.000 0.854 659 E CB 1.529 31.166 29.700 -0.105 0.000 1.046 659 E HN 0.740 nan 8.360 nan 0.000 0.409 660 G N 1.916 110.666 108.800 -0.084 0.000 2.605 660 G HA2 0.506 4.471 3.960 0.009 0.000 0.296 660 G HA3 0.506 4.471 3.960 0.009 0.000 0.296 660 G C -1.238 173.638 174.900 -0.040 0.000 1.304 660 G CA -0.588 44.476 45.100 -0.059 0.000 0.941 660 G HN 0.416 nan 8.290 nan 0.000 0.475 661 V N 0.739 120.638 119.914 -0.025 0.000 2.417 661 V HA 0.357 4.482 4.120 0.009 0.000 0.291 661 V C 0.287 176.374 176.094 -0.012 0.000 1.024 661 V CA -0.855 61.434 62.300 -0.017 0.000 0.861 661 V CB 1.477 33.294 31.823 -0.009 0.000 0.985 661 V HN 0.556 nan 8.190 nan 0.000 0.436 662 V N 4.756 124.660 119.914 -0.017 0.000 2.485 662 V HA 0.093 4.218 4.120 0.009 0.000 0.287 662 V C 1.549 177.646 176.094 0.006 0.000 1.022 662 V CA 1.022 63.314 62.300 -0.014 0.000 1.067 662 V CB 0.914 32.717 31.823 -0.034 0.000 0.967 662 V HN 1.148 nan 8.190 nan 0.000 0.479 663 T N 1.304 115.876 114.554 0.030 0.000 3.034 663 T HA 0.187 4.542 4.350 0.009 0.000 0.248 663 T C 0.511 175.231 174.700 0.034 0.000 1.040 663 T CA 0.057 62.175 62.100 0.030 0.000 1.107 663 T CB 0.102 68.990 68.868 0.032 0.000 0.932 663 T HN 0.620 nan 8.240 nan 0.000 0.474 664 N N -0.333 118.406 118.700 0.066 0.000 2.396 664 N HA 0.628 5.373 4.740 0.009 0.000 0.275 664 N C -2.061 173.462 175.510 0.022 0.000 1.218 664 N CA -0.806 52.281 53.050 0.061 0.000 0.812 664 N CB 2.573 41.104 38.487 0.074 0.000 1.592 664 N HN 0.014 nan 8.380 nan 0.000 0.480 665 V N 0.390 120.271 119.914 -0.054 0.000 2.495 665 V HA 0.765 4.890 4.120 0.009 0.000 0.298 665 V C 0.059 175.935 176.094 -0.364 0.000 1.031 665 V CA -0.531 61.602 62.300 -0.279 0.000 0.871 665 V CB 1.435 33.033 31.823 -0.375 0.000 0.988 665 V HN 0.957 nan 8.190 nan 0.000 0.432 666 T N 0.163 114.367 114.554 -0.583 0.000 2.883 666 T HA 0.340 4.695 4.350 0.009 0.000 0.284 666 T C 0.693 175.014 174.700 -0.631 0.000 1.041 666 T CA -0.335 61.426 62.100 -0.566 0.000 1.007 666 T CB 1.475 69.765 68.868 -0.965 0.000 1.220 666 T HN 0.587 nan 8.240 nan 0.000 0.552 667 N N -0.375 118.168 118.700 -0.263 0.000 2.461 667 N HA 0.069 4.814 4.740 0.009 0.000 0.188 667 N C 0.616 176.105 175.510 -0.035 0.000 1.134 667 N CA 0.223 53.246 53.050 -0.044 0.000 0.878 667 N CB -0.727 37.860 38.487 0.166 0.000 0.972 667 N HN 0.725 nan 8.380 nan 0.000 0.456 668 F N -3.327 116.583 119.950 -0.068 0.000 2.706 668 F HA 0.747 5.278 4.527 0.008 0.000 0.313 668 F C 0.643 176.352 175.800 -0.152 0.000 1.096 668 F CA -0.459 57.498 58.000 -0.073 0.000 1.219 668 F CB 0.395 39.383 39.000 -0.022 0.000 1.051 668 F HN 0.116 nan 8.300 nan 0.000 0.568 669 G N 0.477 109.006 108.800 -0.452 0.000 2.351 669 G HA2 0.530 4.495 3.960 0.009 0.000 0.279 669 G HA3 0.530 4.495 3.960 0.009 0.000 0.279 669 G C -2.086 172.469 174.900 -0.574 0.000 1.297 669 G CA -0.297 44.546 45.100 -0.428 0.000 0.886 669 G HN 0.700 nan 8.290 nan 0.000 0.493 670 A N -0.968 121.533 122.820 -0.532 0.000 2.486 670 A HA 0.820 5.145 4.320 0.009 0.000 0.300 670 A C -1.490 175.806 177.584 -0.479 0.000 1.048 670 A CA -0.581 51.202 52.037 -0.423 0.000 0.696 670 A CB 1.121 19.957 19.000 -0.273 0.000 1.278 670 A HN 1.015 nan 8.150 nan 0.000 0.405 671 F N 1.393 121.251 119.950 -0.154 0.000 2.410 671 F HA 0.542 5.073 4.527 0.007 0.000 0.349 671 F C 0.249 176.002 175.800 -0.078 0.000 1.117 671 F CA -0.240 57.702 58.000 -0.097 0.000 1.104 671 F CB 1.942 40.901 39.000 -0.069 0.000 1.122 671 F HN 0.276 nan 8.300 nan 0.000 0.483 672 V N 2.146 122.108 119.914 0.079 0.000 2.604 672 V HA 0.269 4.394 4.120 0.009 0.000 0.305 672 V C -0.939 175.177 176.094 0.037 0.000 1.043 672 V CA -0.869 61.445 62.300 0.024 0.000 0.888 672 V CB 2.008 33.812 31.823 -0.031 0.000 0.995 672 V HN 0.606 nan 8.190 nan 0.000 0.429 673 D N 3.800 124.213 120.400 0.020 0.000 2.373 673 D HA 0.347 4.992 4.640 0.009 0.000 0.227 673 D C 0.734 177.033 176.300 -0.000 0.000 1.091 673 D CA -0.439 53.569 54.000 0.014 0.000 0.840 673 D CB 1.074 41.879 40.800 0.009 0.000 1.060 673 D HN 0.574 nan 8.370 nan 0.000 0.502 674 I N 0.802 121.376 120.570 0.007 0.000 3.875 674 I HA 0.465 4.640 4.170 0.009 0.000 0.329 674 I C 1.113 177.289 176.117 0.097 0.000 1.295 674 I CA -0.246 61.063 61.300 0.016 0.000 1.129 674 I CB 0.042 38.038 38.000 -0.006 0.000 1.008 674 I HN 0.515 nan 8.210 nan 0.000 0.413 675 G N 2.121 110.931 108.800 0.015 0.000 2.144 675 G HA2 -0.244 3.721 3.960 0.009 0.000 0.218 675 G HA3 -0.244 3.721 3.960 0.009 0.000 0.218 675 G C 0.520 175.293 174.900 -0.212 0.000 0.988 675 G CA 0.169 45.230 45.100 -0.064 0.000 0.659 675 G HN 0.768 nan 8.290 nan 0.000 0.522 676 V N -3.185 116.645 119.914 -0.140 0.000 3.271 676 V HA 0.433 4.558 4.120 0.009 0.000 0.327 676 V C 1.357 177.408 176.094 -0.071 0.000 1.389 676 V CA 0.587 62.814 62.300 -0.122 0.000 1.156 676 V CB -0.997 30.844 31.823 0.030 0.000 1.103 676 V HN 0.730 nan 8.190 nan 0.000 0.453 677 H N -0.671 118.417 119.070 0.031 0.000 3.080 677 H HA -0.180 4.380 4.556 0.006 0.000 0.254 677 H C 0.416 175.758 175.328 0.022 0.000 1.179 677 H CA 1.465 57.525 56.048 0.020 0.000 1.144 677 H CB -1.278 28.489 29.762 0.009 0.000 1.261 677 H HN 0.808 nan 8.280 nan 0.000 0.333 678 Q N 1.530 121.381 119.800 0.084 0.000 2.275 678 Q HA 0.344 4.689 4.340 0.009 0.000 0.258 678 Q C -1.374 174.666 176.000 0.065 0.000 0.960 678 Q CA -0.602 55.245 55.803 0.074 0.000 0.801 678 Q CB 1.334 30.117 28.738 0.075 0.000 1.302 678 Q HN 0.052 nan 8.270 nan 0.000 0.433 679 D N 2.091 122.535 120.400 0.073 0.000 2.449 679 D HA 0.381 5.026 4.640 0.009 0.000 0.236 679 D C 0.086 176.468 176.300 0.136 0.000 1.149 679 D CA 0.938 55.003 54.000 0.108 0.000 0.878 679 D CB 0.928 41.818 40.800 0.150 0.000 1.198 679 D HN 0.636 nan 8.370 nan 0.000 0.446 680 G N 0.533 109.397 108.800 0.107 0.000 2.434 680 G HA2 0.480 4.446 3.960 0.009 0.000 0.330 680 G HA3 0.480 4.446 3.960 0.009 0.000 0.330 680 G C -1.109 173.802 174.900 0.018 0.000 1.155 680 G CA -0.529 44.612 45.100 0.069 0.000 0.917 680 G HN 0.372 nan 8.290 nan 0.000 0.493 681 L N 2.013 123.172 121.223 -0.107 0.000 2.272 681 L HA 0.549 4.894 4.340 0.009 0.000 0.289 681 L C -0.283 176.341 176.870 -0.410 0.000 1.032 681 L CA -0.611 53.946 54.840 -0.472 0.000 0.810 681 L CB 1.623 43.328 42.059 -0.591 0.000 1.205 681 L HN 0.194 nan 8.230 nan 0.000 0.422 682 V N 5.767 125.443 119.914 -0.396 0.000 2.353 682 V HA 0.242 4.367 4.120 0.009 0.000 0.264 682 V C 0.113 176.031 176.094 -0.293 0.000 1.049 682 V CA -0.579 61.570 62.300 -0.252 0.000 0.896 682 V CB -0.060 31.658 31.823 -0.176 0.000 1.025 682 V HN 0.739 nan 8.190 nan 0.000 0.475 683 H N 2.629 121.622 119.070 -0.129 0.000 2.852 683 H HA 0.095 4.656 4.556 0.008 0.000 0.362 683 H C 1.294 176.558 175.328 -0.106 0.000 1.122 683 H CA 0.657 56.653 56.048 -0.086 0.000 1.419 683 H CB 0.707 30.439 29.762 -0.051 0.000 1.401 683 H HN 0.625 nan 8.280 nan 0.000 0.609 684 I N 1.070 121.655 120.570 0.025 0.000 2.113 684 I HA -0.387 3.788 4.170 0.009 0.000 0.242 684 I C 1.991 178.053 176.117 -0.093 0.000 1.057 684 I CA 2.343 63.600 61.300 -0.070 0.000 1.314 684 I CB -0.227 37.737 38.000 -0.060 0.000 1.022 684 I HN 0.733 nan 8.210 nan 0.000 0.408 685 S N 0.630 116.291 115.700 -0.066 0.000 2.489 685 S HA 0.131 4.606 4.470 0.009 0.000 0.228 685 S C 1.805 176.368 174.600 -0.061 0.000 0.995 685 S CA 0.409 58.552 58.200 -0.094 0.000 0.934 685 S CB -0.222 62.932 63.200 -0.078 0.000 0.771 685 S HN 0.554 nan 8.310 nan 0.000 0.522 686 A N 0.857 123.657 122.820 -0.032 0.000 2.251 686 A HA 0.494 4.819 4.320 0.009 0.000 0.209 686 A C 1.805 179.357 177.584 -0.053 0.000 1.187 686 A CA -0.047 51.973 52.037 -0.029 0.000 0.823 686 A CB -0.556 18.449 19.000 0.009 0.000 0.846 686 A HN 0.541 nan 8.150 nan 0.000 0.486 687 L N -0.948 120.229 121.223 -0.077 0.000 2.395 687 L HA 0.091 4.436 4.340 0.009 0.000 0.218 687 L C 1.064 177.890 176.870 -0.073 0.000 1.130 687 L CA 0.788 55.574 54.840 -0.090 0.000 0.826 687 L CB 0.115 42.103 42.059 -0.119 0.000 0.941 687 L HN 0.397 nan 8.230 nan 0.000 0.451 688 S N -1.867 113.794 115.700 -0.065 0.000 2.565 688 S HA 0.219 4.694 4.470 0.009 0.000 0.269 688 S C 0.365 174.944 174.600 -0.035 0.000 1.153 688 S CA -0.692 57.480 58.200 -0.048 0.000 0.835 688 S CB 1.325 64.498 63.200 -0.046 0.000 1.122 688 S HN 0.018 nan 8.310 nan 0.000 0.462 689 E N 1.356 121.542 120.200 -0.024 0.000 2.274 689 E HA 0.055 4.410 4.350 0.009 0.000 0.194 689 E C 0.094 176.697 176.600 0.005 0.000 0.996 689 E CA 0.866 57.257 56.400 -0.016 0.000 0.840 689 E CB 0.051 29.738 29.700 -0.020 0.000 0.772 689 E HN 0.462 nan 8.360 nan 0.000 0.491 690 K N 0.342 120.751 120.400 0.015 0.000 2.109 690 K HA 0.198 4.523 4.320 0.009 0.000 0.243 690 K C 0.055 176.706 176.600 0.084 0.000 1.006 690 K CA -0.909 55.414 56.287 0.059 0.000 0.917 690 K CB 0.777 33.315 32.500 0.064 0.000 1.081 690 K HN -0.146 nan 8.250 nan 0.000 0.468 691 F N 1.568 121.514 119.950 -0.007 0.000 2.623 691 F HA 0.004 4.537 4.527 0.009 0.000 0.383 691 F C -0.473 175.326 175.800 -0.002 0.000 1.077 691 F CA 0.043 58.041 58.000 -0.004 0.000 1.268 691 F CB 0.446 39.446 39.000 0.000 0.000 1.053 691 F HN -0.008 nan 8.300 nan 0.000 0.571 692 V N 7.995 127.465 119.914 -0.740 0.000 2.409 692 V HA 0.199 4.324 4.120 0.009 0.000 0.291 692 V C 0.365 175.999 176.094 -0.766 0.000 1.020 692 V CA -0.656 61.321 62.300 -0.538 0.000 0.848 692 V CB 1.506 33.150 31.823 -0.297 0.000 0.990 692 V HN 0.869 nan 8.190 nan 0.000 0.430 693 K N 1.642 121.814 120.400 -0.380 0.000 2.354 693 K HA 0.259 4.584 4.320 0.009 0.000 0.194 693 K C -0.167 176.396 176.600 -0.062 0.000 1.045 693 K CA 0.178 56.367 56.287 -0.163 0.000 1.026 693 K CB 0.809 33.398 32.500 0.149 0.000 0.866 693 K HN 0.535 nan 8.250 nan 0.000 0.530 694 D N 0.518 120.882 120.400 -0.059 0.000 2.470 694 D HA 0.244 4.889 4.640 0.009 0.000 0.233 694 D C -2.388 173.884 176.300 -0.048 0.000 1.372 694 D CA -2.067 51.932 54.000 -0.000 0.000 0.994 694 D CB 2.144 42.988 40.800 0.074 0.000 1.377 694 D HN -0.253 nan 8.370 nan 0.000 0.586 695 P HA -0.140 nan 4.420 nan 0.000 0.217 695 P C 0.924 178.068 177.300 -0.260 0.000 1.148 695 P CA 1.169 64.108 63.100 -0.268 0.000 0.828 695 P CB 0.043 31.473 31.700 -0.450 0.000 0.783 696 Y N -0.112 120.147 120.300 -0.069 0.000 2.421 696 Y HA -0.114 4.442 4.550 0.009 0.000 0.292 696 Y C 2.213 178.089 175.900 -0.040 0.000 1.136 696 Y CA 0.948 59.017 58.100 -0.052 0.000 1.255 696 Y CB -0.776 37.659 38.460 -0.042 0.000 0.991 696 Y HN 0.099 nan 8.280 nan 0.000 0.552 697 E N -0.598 119.658 120.200 0.093 0.000 2.208 697 E HA -0.100 4.255 4.350 0.009 0.000 0.193 697 E C 1.892 178.497 176.600 0.009 0.000 0.988 697 E CA 1.125 57.554 56.400 0.049 0.000 0.828 697 E CB 0.049 29.774 29.700 0.043 0.000 0.763 697 E HN 0.301 nan 8.360 nan 0.000 0.478 698 V N 0.458 120.356 119.914 -0.026 0.000 2.581 698 V HA 0.001 4.126 4.120 0.009 0.000 0.240 698 V C 0.914 176.978 176.094 -0.051 0.000 1.054 698 V CA 0.472 62.744 62.300 -0.047 0.000 1.076 698 V CB 0.459 32.237 31.823 -0.076 0.000 0.748 698 V HN 0.082 nan 8.190 nan 0.000 0.474 699 V N -0.904 118.969 119.914 -0.069 0.000 3.102 699 V HA 0.766 4.891 4.120 0.009 0.000 0.312 699 V C -0.981 175.088 176.094 -0.042 0.000 1.135 699 V CA -1.020 61.242 62.300 -0.064 0.000 1.022 699 V CB 1.980 33.747 31.823 -0.094 0.000 1.056 699 V HN 0.584 nan 8.190 nan 0.000 0.436 700 K N 1.270 121.656 120.400 -0.024 0.000 2.512 700 K HA 0.898 5.223 4.320 0.009 0.000 0.263 700 K C -0.443 176.154 176.600 -0.005 0.000 0.966 700 K CA -0.430 55.861 56.287 0.005 0.000 0.851 700 K CB 2.291 34.807 32.500 0.027 0.000 1.395 700 K HN 1.454 nan 8.250 nan 0.000 0.440 701 A N 0.515 123.341 122.820 0.010 0.000 2.546 701 A HA 0.428 4.753 4.320 0.009 0.000 0.243 701 A C 1.226 178.811 177.584 0.002 0.000 1.063 701 A CA 1.162 53.203 52.037 0.006 0.000 0.757 701 A CB -1.134 17.876 19.000 0.018 0.000 0.991 701 A HN 1.423 nan 8.150 nan 0.000 0.503 702 G N 2.048 110.847 108.800 -0.002 0.000 2.284 702 G HA2 -0.184 3.781 3.960 0.009 0.000 0.216 702 G HA3 -0.184 3.781 3.960 0.009 0.000 0.216 702 G C -0.017 174.877 174.900 -0.010 0.000 1.009 702 G CA 0.150 45.248 45.100 -0.004 0.000 0.625 702 G HN 0.810 nan 8.290 nan 0.000 0.501 703 D N 0.986 121.378 120.400 -0.014 0.000 2.493 703 D HA 0.334 4.980 4.640 0.009 0.000 0.240 703 D C 0.841 177.126 176.300 -0.024 0.000 1.142 703 D CA 0.390 54.378 54.000 -0.021 0.000 0.872 703 D CB 0.717 41.501 40.800 -0.028 0.000 1.173 703 D HN 0.395 nan 8.370 nan 0.000 0.467 704 I N 2.400 122.956 120.570 -0.024 0.000 2.395 704 I HA 0.152 4.327 4.170 0.009 0.000 0.289 704 I C 0.352 176.447 176.117 -0.036 0.000 1.023 704 I CA -0.367 60.915 61.300 -0.029 0.000 1.350 704 I CB 0.921 38.906 38.000 -0.025 0.000 1.409 704 I HN 0.105 nan 8.210 nan 0.000 0.507 705 V N 2.891 122.778 119.914 -0.045 0.000 3.102 705 V HA 0.571 4.696 4.120 0.009 0.000 0.312 705 V C -0.627 175.432 176.094 -0.060 0.000 1.135 705 V CA -1.155 61.114 62.300 -0.051 0.000 1.022 705 V CB 1.838 33.627 31.823 -0.056 0.000 1.056 705 V HN 0.666 nan 8.190 nan 0.000 0.436 706 K N 1.729 122.094 120.400 -0.058 0.000 2.240 706 K HA 0.719 5.044 4.320 0.009 0.000 0.271 706 K C -0.820 175.739 176.600 -0.067 0.000 1.018 706 K CA -0.516 55.731 56.287 -0.066 0.000 0.874 706 K CB 1.500 33.969 32.500 -0.051 0.000 1.098 706 K HN 1.035 nan 8.250 nan 0.000 0.458 707 V N 0.829 120.694 119.914 -0.082 0.000 2.769 707 V HA 0.578 4.703 4.120 0.009 0.000 0.312 707 V C -0.929 175.119 176.094 -0.076 0.000 1.061 707 V CA -1.091 61.164 62.300 -0.074 0.000 0.931 707 V CB 1.574 33.352 31.823 -0.076 0.000 1.010 707 V HN 0.776 nan 8.190 nan 0.000 0.433 708 K N 2.750 123.116 120.400 -0.056 0.000 2.206 708 K HA 0.672 4.997 4.320 0.009 0.000 0.264 708 K C -0.958 175.620 176.600 -0.037 0.000 0.967 708 K CA -0.691 55.568 56.287 -0.047 0.000 0.844 708 K CB 1.960 34.441 32.500 -0.031 0.000 1.099 708 K HN 0.711 nan 8.250 nan 0.000 0.441 709 V N 6.892 126.786 119.914 -0.034 0.000 2.421 709 V HA -0.031 4.094 4.120 0.009 0.000 0.271 709 V C 1.098 177.190 176.094 -0.003 0.000 1.031 709 V CA -0.008 62.283 62.300 -0.015 0.000 1.032 709 V CB 0.741 32.560 31.823 -0.007 0.000 1.009 709 V HN 0.931 nan 8.190 nan 0.000 0.477 710 M N 2.602 122.204 119.600 0.003 0.000 2.299 710 M HA 0.250 4.735 4.480 0.009 0.000 0.264 710 M C 0.814 177.121 176.300 0.012 0.000 1.095 710 M CA 1.094 56.398 55.300 0.007 0.000 1.165 710 M CB -0.205 32.401 32.600 0.010 0.000 1.349 710 M HN 0.730 nan 8.290 nan 0.000 0.446 711 E N -0.086 120.125 120.200 0.019 0.000 2.383 711 E HA 0.526 4.881 4.350 0.009 0.000 0.275 711 E C -1.775 174.842 176.600 0.028 0.000 0.918 711 E CA -0.418 55.995 56.400 0.023 0.000 0.764 711 E CB 3.068 32.782 29.700 0.024 0.000 1.252 711 E HN -0.103 nan 8.360 nan 0.000 0.449 712 V N 2.970 122.901 119.914 0.029 0.000 2.482 712 V HA 0.282 4.407 4.120 0.009 0.000 0.295 712 V C -1.027 175.085 176.094 0.030 0.000 1.026 712 V CA -0.803 61.517 62.300 0.033 0.000 0.856 712 V CB 1.680 33.525 31.823 0.036 0.000 1.001 712 V HN 0.616 nan 8.190 nan 0.000 0.424 713 D N 4.341 124.760 120.400 0.033 0.000 2.461 713 D HA 0.430 5.076 4.640 0.009 0.000 0.240 713 D C 0.737 177.055 176.300 0.030 0.000 1.094 713 D CA -0.307 53.710 54.000 0.029 0.000 0.868 713 D CB 1.460 42.278 40.800 0.030 0.000 1.062 713 D HN 0.426 nan 8.370 nan 0.000 0.530 714 I N 3.758 124.344 120.570 0.027 0.000 2.353 714 I HA -0.049 4.126 4.170 0.009 0.000 0.248 714 I C -0.672 175.459 176.117 0.023 0.000 1.119 714 I CA 0.318 61.634 61.300 0.026 0.000 1.417 714 I CB -0.848 37.167 38.000 0.024 0.000 1.078 714 I HN 0.318 nan 8.210 nan 0.000 0.421 715 P HA -0.128 nan 4.420 nan 0.000 0.215 715 P C 1.421 178.732 177.300 0.019 0.000 1.153 715 P CA 1.441 64.552 63.100 0.018 0.000 0.853 715 P CB -0.049 31.660 31.700 0.016 0.000 0.788 716 R N -1.926 118.588 120.500 0.022 0.000 2.297 716 R HA 0.080 4.425 4.340 0.009 0.000 0.197 716 R C 0.239 176.557 176.300 0.030 0.000 0.943 716 R CA 0.107 56.222 56.100 0.025 0.000 1.038 716 R CB -0.683 29.634 30.300 0.027 0.000 0.957 716 R HN 0.073 nan 8.270 nan 0.000 0.484 717 N N 1.331 120.050 118.700 0.031 0.000 2.738 717 N HA -0.192 4.553 4.740 0.009 0.000 0.249 717 N C -1.340 174.197 175.510 0.045 0.000 1.047 717 N CA 0.712 53.785 53.050 0.037 0.000 0.707 717 N CB -0.464 38.044 38.487 0.035 0.000 0.937 717 N HN 0.225 nan 8.380 nan 0.000 0.545 718 R N -0.693 119.835 120.500 0.046 0.000 2.803 718 R HA 0.766 5.111 4.340 0.009 0.000 0.276 718 R C -1.007 175.325 176.300 0.052 0.000 0.978 718 R CA -0.950 55.182 56.100 0.054 0.000 0.939 718 R CB 2.433 32.766 30.300 0.055 0.000 1.179 718 R HN 0.020 nan 8.270 nan 0.000 0.472 719 V N 1.104 121.052 119.914 0.056 0.000 2.577 719 V HA 0.665 4.790 4.120 0.009 0.000 0.303 719 V C -0.477 175.644 176.094 0.045 0.000 1.042 719 V CA -0.359 61.970 62.300 0.048 0.000 0.872 719 V CB 1.806 33.658 31.823 0.048 0.000 0.998 719 V HN 0.877 nan 8.190 nan 0.000 0.423 720 G N 6.460 115.284 108.800 0.040 0.000 2.356 720 G HA2 0.655 4.620 3.960 0.009 0.000 0.298 720 G HA3 0.655 4.620 3.960 0.009 0.000 0.298 720 G C -1.123 173.790 174.900 0.021 0.000 1.145 720 G CA -0.511 44.614 45.100 0.042 0.000 0.850 720 G HN 0.799 nan 8.290 nan 0.000 0.487 721 L N 0.947 122.178 121.223 0.012 0.000 2.422 721 L HA 0.655 5.001 4.340 0.009 0.000 0.264 721 L C -0.133 176.729 176.870 -0.013 0.000 0.984 721 L CA -0.873 53.959 54.840 -0.014 0.000 0.819 721 L CB 2.545 44.582 42.059 -0.037 0.000 1.330 721 L HN 0.598 nan 8.230 nan 0.000 0.410 722 S N 1.438 117.124 115.700 -0.023 0.000 2.548 722 S HA 0.581 5.056 4.470 0.009 0.000 0.286 722 S C 0.100 174.675 174.600 -0.042 0.000 1.098 722 S CA -0.584 57.600 58.200 -0.026 0.000 0.930 722 S CB 1.862 65.051 63.200 -0.017 0.000 1.070 722 S HN 0.714 nan 8.310 nan 0.000 0.480 723 M N 2.317 121.889 119.600 -0.047 0.000 2.428 723 M HA 0.253 4.738 4.480 0.009 0.000 0.239 723 M C 0.150 176.424 176.300 -0.043 0.000 1.121 723 M CA 0.213 55.483 55.300 -0.050 0.000 1.019 723 M CB 0.208 32.772 32.600 -0.059 0.000 1.485 723 M HN 0.371 nan 8.290 nan 0.000 0.484 724 R N 0.889 121.365 120.500 -0.039 0.000 2.205 724 R HA 0.244 4.589 4.340 0.009 0.000 0.342 724 R C 0.741 177.017 176.300 -0.039 0.000 1.058 724 R CA -0.312 55.765 56.100 -0.038 0.000 0.904 724 R CB 0.651 30.929 30.300 -0.037 0.000 1.089 724 R HN 0.155 nan 8.270 nan 0.000 0.471 725 M N 1.180 120.757 119.600 -0.039 0.000 2.549 725 M HA -0.101 4.385 4.480 0.009 0.000 0.260 725 M C 1.710 177.972 176.300 -0.063 0.000 1.076 725 M CA 1.287 56.565 55.300 -0.037 0.000 1.090 725 M CB -0.707 31.881 32.600 -0.020 0.000 1.418 725 M HN 0.524 nan 8.290 nan 0.000 0.486 726 S N -1.397 114.257 115.700 -0.078 0.000 2.528 726 S HA 0.012 4.487 4.470 0.009 0.000 0.219 726 S C 0.450 175.008 174.600 -0.070 0.000 0.985 726 S CA -0.256 57.880 58.200 -0.106 0.000 0.914 726 S CB -0.097 63.044 63.200 -0.099 0.000 0.776 726 S HN 0.258 nan 8.310 nan 0.000 0.526 727 D N 3.260 123.632 120.400 -0.048 0.000 2.424 727 D HA 0.260 4.905 4.640 0.009 0.000 0.244 727 D C 0.187 176.472 176.300 -0.026 0.000 1.134 727 D CA 0.620 54.599 54.000 -0.034 0.000 0.881 727 D CB 1.394 42.177 40.800 -0.027 0.000 1.191 727 D HN 0.467 nan 8.370 nan 0.000 0.445 728 T N -0.332 114.210 114.554 -0.020 0.000 2.749 728 T HA 0.423 4.778 4.350 0.009 0.000 0.287 728 T C -1.824 172.871 174.700 -0.008 0.000 0.970 728 T CA -1.738 60.355 62.100 -0.011 0.000 0.980 728 T CB 1.746 70.609 68.868 -0.008 0.000 0.924 728 T HN -0.034 nan 8.240 nan 0.000 0.456 729 P HA 0.190 nan 4.420 nan 0.000 0.218 729 P C 0.891 178.191 177.300 -0.000 0.000 1.148 729 P CA 1.452 64.552 63.100 -0.000 0.000 0.822 729 P CB -0.245 31.458 31.700 0.004 0.000 0.784 730 G N 0.000 108.800 108.800 0.000 0.000 5.446 730 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 730 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 730 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 730 G HN 0.000 nan 8.290 nan 0.000 0.925