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 1ojd_1_I DATA FIRST_RESID 4 DATA SEQUENCE KCDVVVVGGG ISGMAAAKLL HDSGLNVVVL EARDRVGGRT YTLRNQKVKY DATA SEQUENCE VDLGGSYVGP TQNRILRLAK ELGLETYKVN EVERLIHHVK GKSYPFRGPF DATA SEQUENCE PPVWNPITYL DHNNFWRTMD DMGREIPSDA PWKAPLAEEW DNMTMKELLD DATA SEQUENCE KLCWTESAKQ LATLFVNLCV TAETHEVSAL WFLWYVKQCG GTTRIISTTN DATA SEQUENCE GGQERKFVGG SGQVSERIMD LLGDRVKLER PVIYIDQTRE NVLVETLNHE DATA SEQUENCE MYEAKYVISA IPPTLGMKIH FNPPLPMMRN QMITRVPLGS VIKCIVYYKE DATA SEQUENCE PFWRKKDYCG TMIIDGEEAP VAYTLDDTKP EGNYAAIMGF ILAHKARKLA DATA SEQUENCE RLTKEERLKK LCELYAKVLG SLEALEPVHY EEKNWCEEQY SGGCYTTYFP DATA SEQUENCE PGILTQYGRV LRQPVDRIYF AGTETATHWS GYMEGAVEAG ERAAREILHA DATA SEQUENCE MGKIPEDEIW QSEPESVDVP AQPITTTFLE RHLPSVPGLL RLIGLTT 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.651 176.600 0.085 0.000 0.988 4 K CA 0.000 56.325 56.287 0.063 0.000 0.838 4 K CB 0.000 32.516 32.500 0.026 0.000 1.064 5 C N 1.455 120.801 119.300 0.078 0.000 3.252 5 C HA 0.124 4.584 4.460 -0.000 0.000 0.447 5 C C 0.820 175.855 174.990 0.075 0.000 0.926 5 C CA -1.100 57.971 59.018 0.088 0.000 1.211 5 C CB 0.586 28.403 27.740 0.127 0.000 1.616 5 C HN 0.912 nan 8.230 nan 0.000 0.626 6 D N 0.666 121.110 120.400 0.073 0.000 2.084 6 D HA -0.023 4.617 4.640 -0.000 0.000 0.196 6 D C 0.595 176.971 176.300 0.127 0.000 0.985 6 D CA 1.737 55.792 54.000 0.090 0.000 0.826 6 D CB 0.450 41.299 40.800 0.082 0.000 0.978 6 D HN 0.460 nan 8.370 nan 0.000 0.456 7 V N 1.296 121.273 119.914 0.105 0.000 2.588 7 V HA 0.262 4.382 4.120 -0.000 0.000 0.304 7 V C -0.065 176.072 176.094 0.070 0.000 1.042 7 V CA -0.748 61.618 62.300 0.109 0.000 0.877 7 V CB 2.726 34.591 31.823 0.070 0.000 0.996 7 V HN -0.236 nan 8.190 nan 0.000 0.425 8 V N 5.423 125.375 119.914 0.063 0.000 2.370 8 V HA 0.375 4.495 4.120 -0.000 0.000 0.279 8 V C -0.071 176.027 176.094 0.006 0.000 1.029 8 V CA -0.424 61.888 62.300 0.019 0.000 0.870 8 V CB 1.920 33.751 31.823 0.012 0.000 0.984 8 V HN 0.638 nan 8.190 nan 0.000 0.451 9 V N 6.724 126.627 119.914 -0.017 0.000 2.383 9 V HA 0.317 4.437 4.120 -0.000 0.000 0.275 9 V C 0.071 176.145 176.094 -0.032 0.000 1.036 9 V CA -0.426 61.867 62.300 -0.013 0.000 0.889 9 V CB 1.671 33.488 31.823 -0.010 0.000 0.985 9 V HN 0.600 nan 8.190 nan 0.000 0.459 10 V N 4.237 124.146 119.914 -0.008 0.000 2.432 10 V HA 0.857 4.977 4.120 -0.000 0.000 0.275 10 V C 0.626 176.733 176.094 0.021 0.000 1.043 10 V CA 0.303 62.599 62.300 -0.006 0.000 0.925 10 V CB 0.786 32.623 31.823 0.024 0.000 0.985 10 V HN 1.249 nan 8.190 nan 0.000 0.466 11 G N 3.501 112.304 108.800 0.004 0.000 3.448 11 G HA2 0.150 4.110 3.960 -0.000 0.000 0.685 11 G HA3 0.150 4.110 3.960 -0.000 0.000 0.685 11 G C 0.213 175.118 174.900 0.009 0.000 1.151 11 G CA -0.448 44.667 45.100 0.026 0.000 1.023 11 G HN 1.260 nan 8.290 nan 0.000 0.499 12 G N 0.640 109.441 108.800 0.001 0.000 3.371 12 G HA2 0.612 4.572 3.960 -0.000 0.000 0.248 12 G HA3 0.612 4.572 3.960 -0.000 0.000 0.248 12 G C 1.016 175.927 174.900 0.018 0.000 1.161 12 G CA 1.002 46.099 45.100 -0.004 0.000 0.796 12 G HN 1.284 nan 8.290 nan 0.000 0.539 13 G N 0.064 108.889 108.800 0.041 0.000 2.508 13 G HA2 0.338 4.298 3.960 -0.000 0.000 0.278 13 G HA3 0.338 4.298 3.960 -0.000 0.000 0.278 13 G C 1.148 176.075 174.900 0.045 0.000 1.389 13 G CA -0.674 44.459 45.100 0.055 0.000 1.050 13 G HN 0.081 nan 8.290 nan 0.000 0.522 14 I N -0.615 119.985 120.570 0.051 0.000 2.208 14 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 14 I C 3.046 179.189 176.117 0.044 0.000 1.097 14 I CA 1.585 62.909 61.300 0.040 0.000 1.363 14 I CB -0.171 37.857 38.000 0.046 0.000 1.051 14 I HN 0.463 nan 8.210 nan 0.000 0.413 15 S N 0.615 116.354 115.700 0.064 0.000 2.343 15 S HA -0.148 4.322 4.470 -0.000 0.000 0.219 15 S C 2.141 176.771 174.600 0.050 0.000 1.033 15 S CA 1.688 59.929 58.200 0.069 0.000 1.014 15 S CB -0.752 62.506 63.200 0.097 0.000 0.915 15 S HN 0.573 nan 8.310 nan 0.000 0.435 16 G N 2.230 111.060 108.800 0.049 0.000 2.529 16 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 16 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 16 G C 1.474 176.381 174.900 0.012 0.000 1.177 16 G CA 1.439 46.558 45.100 0.030 0.000 0.773 16 G HN 0.428 nan 8.290 nan 0.000 0.573 17 M N 1.192 120.796 119.600 0.008 0.000 2.067 17 M HA 0.021 4.501 4.480 -0.000 0.000 0.260 17 M C 3.104 179.400 176.300 -0.007 0.000 1.069 17 M CA 1.421 56.716 55.300 -0.008 0.000 1.117 17 M CB -1.658 30.934 32.600 -0.014 0.000 1.334 17 M HN 0.313 nan 8.290 nan 0.000 0.407 18 A N 0.625 123.446 122.820 0.003 0.000 1.927 18 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 18 A C 2.488 180.073 177.584 0.002 0.000 1.185 18 A CA 2.859 54.899 52.037 0.004 0.000 0.639 18 A CB -1.056 17.954 19.000 0.016 0.000 0.820 18 A HN 0.537 nan 8.150 nan 0.000 0.451 19 A N -0.509 122.313 122.820 0.003 0.000 1.840 19 A HA 0.239 4.559 4.320 -0.000 0.000 0.214 19 A C 2.585 180.168 177.584 -0.002 0.000 1.198 19 A CA 2.159 54.193 52.037 -0.005 0.000 0.608 19 A CB -1.338 17.660 19.000 -0.003 0.000 0.839 19 A HN 1.286 nan 8.150 nan 0.000 0.443 20 A N 0.034 122.855 122.820 0.001 0.000 1.915 20 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 20 A C 2.153 179.755 177.584 0.029 0.000 1.198 20 A CA 2.586 54.627 52.037 0.007 0.000 0.647 20 A CB -0.616 18.377 19.000 -0.012 0.000 0.825 20 A HN 0.610 nan 8.150 nan 0.000 0.456 21 K N -0.922 119.484 120.400 0.012 0.000 2.025 21 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 21 K C 1.978 178.617 176.600 0.065 0.000 1.049 21 K CA 1.492 57.798 56.287 0.031 0.000 0.933 21 K CB -0.306 32.194 32.500 -0.001 0.000 0.714 21 K HN 0.359 nan 8.250 nan 0.000 0.438 22 L N 1.417 122.657 121.223 0.028 0.000 2.046 22 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 22 L C 2.018 178.897 176.870 0.014 0.000 1.077 22 L CA 1.417 56.265 54.840 0.013 0.000 0.747 22 L CB -0.194 41.858 42.059 -0.012 0.000 0.896 22 L HN 0.225 nan 8.230 nan 0.000 0.432 23 L N -1.470 119.762 121.223 0.016 0.000 2.027 23 L HA -0.246 4.094 4.340 -0.000 0.000 0.206 23 L C 2.616 179.506 176.870 0.033 0.000 1.074 23 L CA 1.616 56.459 54.840 0.005 0.000 0.745 23 L CB -0.962 41.097 42.059 -0.001 0.000 0.898 23 L HN 0.402 nan 8.230 nan 0.000 0.433 24 H N 0.311 119.369 119.070 -0.019 0.000 2.353 24 H HA -0.219 4.337 4.556 -0.000 0.000 0.298 24 H C 1.749 177.069 175.328 -0.013 0.000 1.103 24 H CA 2.084 58.125 56.048 -0.012 0.000 1.293 24 H CB 0.027 29.783 29.762 -0.010 0.000 1.372 24 H HN 0.228 nan 8.280 nan 0.000 0.501 25 D N -0.696 119.742 120.400 0.062 0.000 2.264 25 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 25 D C 1.204 177.471 176.300 -0.056 0.000 0.966 25 D CA 1.021 55.025 54.000 0.006 0.000 0.864 25 D CB -0.062 40.765 40.800 0.046 0.000 0.933 25 D HN 0.296 nan 8.370 nan 0.000 0.499 26 S N -0.850 114.816 115.700 -0.056 0.000 2.622 26 S HA 0.339 4.809 4.470 -0.000 0.000 0.236 26 S C 1.223 175.778 174.600 -0.075 0.000 0.956 26 S CA 0.238 58.404 58.200 -0.056 0.000 0.971 26 S CB 0.634 63.808 63.200 -0.043 0.000 0.782 26 S HN 0.358 nan 8.310 nan 0.000 0.468 27 G N 1.771 110.496 108.800 -0.124 0.000 2.221 27 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.265 27 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.265 27 G C -0.134 174.712 174.900 -0.091 0.000 1.041 27 G CA 0.012 45.035 45.100 -0.129 0.000 0.807 27 G HN 0.483 nan 8.290 nan 0.000 0.502 28 L N -0.342 120.834 121.223 -0.078 0.000 2.334 28 L HA 0.470 4.810 4.340 -0.000 0.000 0.270 28 L C 0.093 176.959 176.870 -0.007 0.000 1.018 28 L CA -1.243 53.579 54.840 -0.030 0.000 0.811 28 L CB 1.121 43.172 42.059 -0.012 0.000 1.271 28 L HN 0.010 nan 8.230 nan 0.000 0.443 29 N N 2.074 120.788 118.700 0.022 0.000 2.406 29 N HA 0.292 5.032 4.740 -0.000 0.000 0.251 29 N C -0.456 175.096 175.510 0.071 0.000 1.069 29 N CA -0.092 52.989 53.050 0.053 0.000 0.947 29 N CB 1.615 40.131 38.487 0.048 0.000 1.111 29 N HN 0.355 nan 8.380 nan 0.000 0.497 30 V N -0.043 119.927 119.914 0.093 0.000 3.177 30 V HA 0.789 4.909 4.120 -0.000 0.000 0.319 30 V C 0.079 176.209 176.094 0.060 0.000 1.125 30 V CA -0.736 61.608 62.300 0.072 0.000 1.029 30 V CB 2.062 33.925 31.823 0.068 0.000 1.119 30 V HN 0.191 nan 8.190 nan 0.000 0.452 31 V N 0.820 120.752 119.914 0.029 0.000 2.817 31 V HA 0.477 4.597 4.120 -0.000 0.000 0.303 31 V C -0.876 175.184 176.094 -0.058 0.000 1.151 31 V CA -0.361 61.935 62.300 -0.006 0.000 0.929 31 V CB 2.309 34.138 31.823 0.009 0.000 1.030 31 V HN 0.849 nan 8.190 nan 0.000 0.427 32 V N 6.471 126.341 119.914 -0.074 0.000 2.384 32 V HA 0.508 4.628 4.120 -0.000 0.000 0.287 32 V C -0.288 175.725 176.094 -0.136 0.000 1.020 32 V CA -0.462 61.787 62.300 -0.085 0.000 0.850 32 V CB 1.593 33.382 31.823 -0.057 0.000 0.987 32 V HN 0.620 nan 8.190 nan 0.000 0.436 33 L N 4.697 125.819 121.223 -0.169 0.000 2.265 33 L HA 0.647 4.987 4.340 -0.000 0.000 0.289 33 L C -0.230 176.555 176.870 -0.142 0.000 1.033 33 L CA -0.344 54.369 54.840 -0.212 0.000 0.814 33 L CB 1.481 43.360 42.059 -0.299 0.000 1.203 33 L HN 0.623 nan 8.230 nan 0.000 0.423 34 E N 2.357 122.478 120.200 -0.133 0.000 2.210 34 E HA 0.529 4.879 4.350 -0.000 0.000 0.266 34 E C 0.126 176.618 176.600 -0.180 0.000 0.883 34 E CA -0.343 55.981 56.400 -0.126 0.000 0.761 34 E CB 2.089 31.736 29.700 -0.088 0.000 1.156 34 E HN 0.539 nan 8.360 nan 0.000 0.412 35 A N 5.334 127.989 122.820 -0.275 0.000 1.898 35 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 35 A C 1.188 178.533 177.584 -0.398 0.000 1.181 35 A CA 0.853 52.604 52.037 -0.478 0.000 0.620 35 A CB -0.170 18.211 19.000 -1.032 0.000 0.819 35 A HN 0.584 nan 8.150 nan 0.000 0.442 36 R N 0.106 120.434 120.500 -0.288 0.000 2.649 36 R HA 0.178 4.518 4.340 -0.000 0.000 0.270 36 R C -0.103 176.131 176.300 -0.110 0.000 1.105 36 R CA 0.254 56.256 56.100 -0.163 0.000 1.193 36 R CB 0.165 30.406 30.300 -0.098 0.000 1.120 36 R HN 0.495 nan 8.270 nan 0.000 0.561 37 D N 0.644 120.997 120.400 -0.079 0.000 2.413 37 D HA -0.005 4.635 4.640 -0.000 0.000 0.237 37 D C -0.428 175.846 176.300 -0.043 0.000 1.171 37 D CA -0.075 53.892 54.000 -0.055 0.000 0.839 37 D CB -0.075 40.701 40.800 -0.039 0.000 0.950 37 D HN 0.392 nan 8.370 nan 0.000 0.499 38 R N -1.444 119.027 120.500 -0.048 0.000 2.663 38 R HA 0.553 4.893 4.340 -0.000 0.000 0.267 38 R C -0.469 175.823 176.300 -0.014 0.000 1.038 38 R CA -1.162 54.925 56.100 -0.023 0.000 0.886 38 R CB 1.072 31.355 30.300 -0.027 0.000 1.249 38 R HN -0.091 nan 8.270 nan 0.000 0.463 39 V N -1.005 118.912 119.914 0.006 0.000 3.295 39 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 39 V C 1.001 177.126 176.094 0.051 0.000 1.068 39 V CA 0.632 62.941 62.300 0.014 0.000 1.062 39 V CB 0.770 32.596 31.823 0.005 0.000 1.162 39 V HN 1.168 nan 8.190 nan 0.000 0.456 40 G N -0.917 107.920 108.800 0.062 0.000 2.491 40 G HA2 0.146 4.106 3.960 -0.000 0.000 0.203 40 G HA3 0.146 4.106 3.960 -0.000 0.000 0.203 40 G C 1.687 176.664 174.900 0.128 0.000 1.052 40 G CA 0.849 46.009 45.100 0.101 0.000 0.675 40 G HN 2.605 nan 8.290 nan 0.000 0.504 41 G N 0.607 109.490 108.800 0.138 0.000 2.677 41 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.321 41 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.321 41 G C 0.972 176.041 174.900 0.281 0.000 1.181 41 G CA 1.540 46.749 45.100 0.182 0.000 0.965 41 G HN 1.184 nan 8.290 nan 0.000 0.548 42 R N 1.899 122.477 120.500 0.129 0.000 2.310 42 R HA 0.248 4.588 4.340 -0.000 0.000 0.202 42 R C 0.831 177.050 176.300 -0.135 0.000 0.933 42 R CA 0.964 56.973 56.100 -0.151 0.000 1.054 42 R CB -0.003 30.174 30.300 -0.205 0.000 0.985 42 R HN 0.689 nan 8.270 nan 0.000 0.489 43 T N -2.131 112.487 114.554 0.106 0.000 2.824 43 T HA 0.347 4.697 4.350 -0.000 0.000 0.280 43 T C -0.992 173.931 174.700 0.373 0.000 0.995 43 T CA -0.626 61.584 62.100 0.183 0.000 1.009 43 T CB 1.619 70.563 68.868 0.126 0.000 0.955 43 T HN 0.049 nan 8.240 nan 0.000 0.452 44 Y N 1.491 121.939 120.300 0.247 0.000 2.323 44 Y HA 0.449 4.999 4.550 -0.000 0.000 0.322 44 Y C -1.164 174.845 175.900 0.182 0.000 1.133 44 Y CA -1.125 57.115 58.100 0.234 0.000 1.093 44 Y CB 1.664 40.317 38.460 0.321 0.000 1.203 44 Y HN 0.831 nan 8.280 nan 0.000 0.427 45 T N 8.097 122.664 114.554 0.023 0.000 2.781 45 T HA 0.326 4.676 4.350 -0.000 0.000 0.305 45 T C -0.608 173.890 174.700 -0.336 0.000 1.001 45 T CA -0.352 61.671 62.100 -0.127 0.000 0.950 45 T CB 0.121 68.996 68.868 0.011 0.000 0.955 45 T HN 0.564 nan 8.240 nan 0.000 0.471 46 L N 4.941 125.868 121.223 -0.494 0.000 2.367 46 L HA 0.418 4.758 4.340 -0.000 0.000 0.275 46 L C 0.139 176.934 176.870 -0.125 0.000 1.129 46 L CA 0.349 54.957 54.840 -0.386 0.000 0.839 46 L CB 0.211 42.065 42.059 -0.341 0.000 1.133 46 L HN 0.500 nan 8.230 nan 0.000 0.453 47 R N 4.036 124.497 120.500 -0.066 0.000 2.439 47 R HA 0.567 4.907 4.340 -0.000 0.000 0.310 47 R C -1.099 175.185 176.300 -0.026 0.000 0.955 47 R CA -0.689 55.399 56.100 -0.019 0.000 0.853 47 R CB 1.300 31.605 30.300 0.010 0.000 1.171 47 R HN 0.893 nan 8.270 nan 0.000 0.449 48 N N -0.412 118.258 118.700 -0.051 0.000 3.179 48 N HA 0.016 4.756 4.740 -0.000 0.000 0.250 48 N C -0.084 175.374 175.510 -0.086 0.000 1.507 48 N CA -0.813 52.205 53.050 -0.054 0.000 0.883 48 N CB 0.727 39.187 38.487 -0.045 0.000 1.435 48 N HN 0.173 nan 8.380 nan 0.000 0.532 49 Q N -0.431 119.322 119.800 -0.079 0.000 2.123 49 Q HA 0.098 4.438 4.340 -0.000 0.000 0.199 49 Q C 0.588 176.551 176.000 -0.061 0.000 0.966 49 Q CA 0.989 56.758 55.803 -0.056 0.000 0.845 49 Q CB -0.019 28.693 28.738 -0.042 0.000 0.907 49 Q HN 0.519 nan 8.270 nan 0.000 0.439 50 K N 0.017 120.300 120.400 -0.195 0.000 2.365 50 K HA -0.001 4.319 4.320 -0.000 0.000 0.199 50 K C 1.599 178.059 176.600 -0.232 0.000 1.045 50 K CA 0.453 56.555 56.287 -0.308 0.000 0.962 50 K CB 0.413 32.413 32.500 -0.834 0.000 0.759 50 K HN 0.029 nan 8.250 nan 0.000 0.469 51 V N -0.440 119.310 119.914 -0.274 0.000 3.562 51 V HA -0.013 4.107 4.120 -0.000 0.000 0.270 51 V C 1.093 176.813 176.094 -0.624 0.000 1.418 51 V CA 0.450 62.501 62.300 -0.415 0.000 1.033 51 V CB 0.245 31.879 31.823 -0.315 0.000 0.820 51 V HN 0.283 nan 8.190 nan 0.000 0.441 52 K N 0.725 120.805 120.400 -0.533 0.000 11.017 52 K HA -0.303 4.017 4.320 -0.000 0.000 0.514 52 K C 0.094 176.586 176.600 -0.180 0.000 0.416 52 K CA 2.607 58.624 56.287 -0.449 0.000 1.853 52 K CB -1.090 30.916 32.500 -0.824 0.000 0.797 52 K HN 0.640 nan 8.250 nan 0.000 1.242 53 Y N -1.764 118.389 120.300 -0.245 0.000 2.524 53 Y HA 0.759 5.309 4.550 -0.000 0.000 0.347 53 Y C -1.147 174.701 175.900 -0.087 0.000 1.005 53 Y CA -0.924 57.093 58.100 -0.138 0.000 1.025 53 Y CB 2.107 40.510 38.460 -0.095 0.000 1.275 53 Y HN 0.049 nan 8.280 nan 0.000 0.460 54 V N 2.488 122.440 119.914 0.063 0.000 2.777 54 V HA 0.327 4.447 4.120 -0.000 0.000 0.306 54 V C -1.495 174.635 176.094 0.060 0.000 1.112 54 V CA -0.714 61.621 62.300 0.057 0.000 0.917 54 V CB 1.972 33.838 31.823 0.072 0.000 1.018 54 V HN 0.922 nan 8.190 nan 0.000 0.426 55 D N 5.973 126.426 120.400 0.089 0.000 2.344 55 D HA 0.246 4.886 4.640 -0.000 0.000 0.253 55 D C 0.963 177.321 176.300 0.098 0.000 1.255 55 D CA 0.177 54.221 54.000 0.074 0.000 0.894 55 D CB 1.675 42.502 40.800 0.046 0.000 1.067 55 D HN 0.473 nan 8.370 nan 0.000 0.492 56 L N 1.438 122.740 121.223 0.130 0.000 2.492 56 L HA 0.139 4.479 4.340 -0.000 0.000 0.223 56 L C 1.583 178.789 176.870 0.561 0.000 1.132 56 L CA 0.207 55.215 54.840 0.279 0.000 0.850 56 L CB 0.205 42.398 42.059 0.223 0.000 0.966 56 L HN 0.320 nan 8.230 nan 0.000 0.454 57 G N -0.934 108.135 108.800 0.449 0.000 3.247 57 G HA2 0.432 4.392 3.960 -0.000 0.000 0.163 57 G HA3 0.432 4.392 3.960 -0.000 0.000 0.163 57 G C -0.166 174.778 174.900 0.073 0.000 1.206 57 G CA 0.018 45.277 45.100 0.264 0.000 0.918 57 G HN 0.099 nan 8.290 nan 0.000 0.625 58 G N -0.792 107.995 108.800 -0.022 0.000 2.441 58 G HA2 0.395 4.355 3.960 -0.000 0.000 0.243 58 G HA3 0.395 4.355 3.960 -0.000 0.000 0.243 58 G C 0.400 175.297 174.900 -0.004 0.000 1.281 58 G CA 0.919 46.001 45.100 -0.030 0.000 0.854 58 G HN 0.812 nan 8.290 nan 0.000 0.560 59 S N 0.868 116.527 115.700 -0.069 0.000 3.640 59 S HA 0.196 4.666 4.470 -0.000 0.000 0.246 59 S C -0.091 174.292 174.600 -0.361 0.000 1.133 59 S CA -0.275 57.784 58.200 -0.234 0.000 0.882 59 S CB -0.134 62.789 63.200 -0.461 0.000 1.015 59 S HN 0.470 nan 8.310 nan 0.000 0.469 60 Y N 2.864 123.122 120.300 -0.070 0.000 2.304 60 Y HA 0.560 5.110 4.550 -0.000 0.000 0.327 60 Y C 0.237 176.000 175.900 -0.228 0.000 1.209 60 Y CA -0.501 57.503 58.100 -0.160 0.000 1.299 60 Y CB 1.091 39.492 38.460 -0.098 0.000 1.249 60 Y HN 0.131 nan 8.280 nan 0.000 0.519 61 V N -0.530 119.254 119.914 -0.217 0.000 3.007 61 V HA 1.082 5.202 4.120 -0.000 0.000 0.311 61 V C -0.352 175.543 176.094 -0.331 0.000 1.120 61 V CA -0.612 61.485 62.300 -0.337 0.000 0.980 61 V CB 1.591 33.138 31.823 -0.459 0.000 1.033 61 V HN 0.953 nan 8.190 nan 0.000 0.429 62 G N 1.243 109.801 108.800 -0.403 0.000 2.766 62 G HA2 0.809 4.769 3.960 -0.000 0.000 0.288 62 G HA3 0.809 4.769 3.960 -0.000 0.000 0.288 62 G C -3.285 171.458 174.900 -0.263 0.000 1.408 62 G CA -1.662 43.252 45.100 -0.311 0.000 0.852 62 G HN 0.715 nan 8.290 nan 0.000 0.487 63 P HA 0.064 nan 4.420 nan 0.000 0.266 63 P C 0.779 178.065 177.300 -0.022 0.000 1.193 63 P CA 1.853 64.911 63.100 -0.070 0.000 0.770 63 P CB 0.903 32.586 31.700 -0.029 0.000 0.836 64 T N -1.484 113.094 114.554 0.040 0.000 7.013 64 T HA -0.263 4.087 4.350 -0.000 0.000 0.288 64 T C 0.294 175.078 174.700 0.141 0.000 2.146 64 T CA 1.220 63.428 62.100 0.179 0.000 3.498 64 T CB -2.640 66.435 68.868 0.344 0.000 1.517 64 T HN 0.612 nan 8.240 nan 0.000 1.113 65 Q N 1.329 121.031 119.800 -0.163 0.000 3.135 65 Q HA 0.354 4.694 4.340 -0.000 0.000 0.344 65 Q C 0.920 176.859 176.000 -0.101 0.000 1.321 65 Q CA -0.432 55.180 55.803 -0.318 0.000 1.050 65 Q CB 0.178 28.506 28.738 -0.683 0.000 1.498 65 Q HN 0.533 nan 8.270 nan 0.000 0.503 66 N N 0.931 119.644 118.700 0.022 0.000 2.331 66 N HA -0.089 4.651 4.740 -0.000 0.000 0.180 66 N C 1.312 176.848 175.510 0.044 0.000 1.019 66 N CA 0.854 53.925 53.050 0.036 0.000 0.881 66 N CB 0.216 38.739 38.487 0.060 0.000 0.972 66 N HN 0.391 nan 8.380 nan 0.000 0.435 67 R N 0.567 121.104 120.500 0.062 0.000 2.066 67 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 67 R C 2.104 178.434 176.300 0.051 0.000 1.131 67 R CA 0.782 56.920 56.100 0.062 0.000 0.955 67 R CB -0.408 29.944 30.300 0.086 0.000 0.851 67 R HN 0.115 nan 8.270 nan 0.000 0.432 68 I N 1.216 121.815 120.570 0.049 0.000 2.394 68 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 68 I C 1.897 178.088 176.117 0.124 0.000 1.136 68 I CA 1.264 62.610 61.300 0.077 0.000 1.425 68 I CB -0.052 38.004 38.000 0.094 0.000 1.079 68 I HN 0.107 nan 8.210 nan 0.000 0.425 69 L N 0.220 121.501 121.223 0.097 0.000 2.012 69 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 69 L C 2.795 179.718 176.870 0.089 0.000 1.073 69 L CA 1.716 56.626 54.840 0.115 0.000 0.748 69 L CB -0.714 41.366 42.059 0.035 0.000 0.891 69 L HN 0.288 nan 8.230 nan 0.000 0.431 70 R N 0.471 121.003 120.500 0.053 0.000 2.070 70 R HA -0.216 4.124 4.340 -0.000 0.000 0.233 70 R C 2.358 178.671 176.300 0.021 0.000 1.137 70 R CA 1.828 57.949 56.100 0.035 0.000 0.945 70 R CB -0.470 29.849 30.300 0.031 0.000 0.845 70 R HN 0.241 nan 8.270 nan 0.000 0.430 71 L N 0.983 122.215 121.223 0.014 0.000 2.131 71 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 71 L C 2.216 179.056 176.870 -0.049 0.000 1.092 71 L CA 2.071 56.904 54.840 -0.012 0.000 0.759 71 L CB -0.506 41.546 42.059 -0.011 0.000 0.903 71 L HN 0.276 nan 8.230 nan 0.000 0.435 72 A N -0.404 122.383 122.820 -0.056 0.000 1.872 72 A HA -0.202 4.118 4.320 -0.000 0.000 0.214 72 A C 2.422 179.961 177.584 -0.076 0.000 1.187 72 A CA 1.660 53.601 52.037 -0.159 0.000 0.614 72 A CB -0.587 18.266 19.000 -0.245 0.000 0.826 72 A HN 0.498 nan 8.150 nan 0.000 0.442 73 K N -0.019 120.384 120.400 0.004 0.000 2.001 73 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 73 K C 2.085 178.681 176.600 -0.008 0.000 1.050 73 K CA 1.957 58.253 56.287 0.015 0.000 0.934 73 K CB -0.280 32.238 32.500 0.031 0.000 0.718 73 K HN 0.577 nan 8.250 nan 0.000 0.443 74 E N 0.417 120.611 120.200 -0.010 0.000 2.171 74 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 74 E C 1.796 178.380 176.600 -0.026 0.000 0.997 74 E CA 1.125 57.518 56.400 -0.013 0.000 0.810 74 E CB -0.052 29.642 29.700 -0.008 0.000 0.738 74 E HN 0.408 nan 8.360 nan 0.000 0.467 75 L N -0.845 120.350 121.223 -0.047 0.000 2.554 75 L HA 0.106 4.446 4.340 -0.000 0.000 0.226 75 L C 1.535 178.367 176.870 -0.062 0.000 1.137 75 L CA 0.601 55.403 54.840 -0.063 0.000 0.863 75 L CB 0.276 42.277 42.059 -0.097 0.000 0.985 75 L HN 0.487 nan 8.230 nan 0.000 0.451 76 G N -0.606 108.165 108.800 -0.048 0.000 2.179 76 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 76 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 76 G C 0.259 175.138 174.900 -0.035 0.000 0.990 76 G CA -0.364 44.714 45.100 -0.036 0.000 0.646 76 G HN 0.151 nan 8.290 nan 0.000 0.517 77 L N 0.257 121.445 121.223 -0.058 0.000 2.439 77 L HA 0.726 5.066 4.340 -0.000 0.000 0.261 77 L C 0.640 177.548 176.870 0.063 0.000 1.153 77 L CA -0.359 54.457 54.840 -0.041 0.000 0.808 77 L CB 0.888 42.838 42.059 -0.181 0.000 1.126 77 L HN 0.167 nan 8.230 nan 0.000 0.460 78 E N -0.366 119.911 120.200 0.127 0.000 2.312 78 E HA 0.425 4.774 4.350 -0.000 0.000 0.267 78 E C -1.056 175.689 176.600 0.242 0.000 0.894 78 E CA -0.606 55.890 56.400 0.160 0.000 0.773 78 E CB 2.506 32.270 29.700 0.107 0.000 1.241 78 E HN 0.700 nan 8.360 nan 0.000 0.432 79 T N -1.012 113.640 114.554 0.163 0.000 2.952 79 T HA 0.618 4.968 4.350 -0.000 0.000 0.286 79 T C -0.737 174.048 174.700 0.142 0.000 1.024 79 T CA -0.708 61.434 62.100 0.069 0.000 1.029 79 T CB 0.732 69.522 68.868 -0.130 0.000 1.094 79 T HN 0.485 nan 8.240 nan 0.000 0.515 80 Y N -1.366 118.925 120.300 -0.015 0.000 2.545 80 Y HA 0.705 5.255 4.550 -0.000 0.000 0.348 80 Y C -0.661 175.236 175.900 -0.005 0.000 1.002 80 Y CA -1.572 56.532 58.100 0.007 0.000 1.039 80 Y CB 1.382 39.866 38.460 0.039 0.000 1.271 80 Y HN 0.611 nan 8.280 nan 0.000 0.467 81 K N 2.756 123.206 120.400 0.083 0.000 2.379 81 K HA 0.312 4.632 4.320 -0.000 0.000 0.284 81 K C -0.596 176.020 176.600 0.026 0.000 1.044 81 K CA -0.523 55.759 56.287 -0.009 0.000 0.974 81 K CB 1.087 33.610 32.500 0.038 0.000 0.962 81 K HN 0.563 nan 8.250 nan 0.000 0.474 82 V N 3.236 123.100 119.914 -0.084 0.000 2.788 82 V HA -0.131 3.989 4.120 -0.000 0.000 0.307 82 V C 0.662 176.796 176.094 0.067 0.000 1.069 82 V CA -0.056 62.259 62.300 0.024 0.000 1.173 82 V CB 0.211 32.050 31.823 0.027 0.000 0.925 82 V HN 0.742 nan 8.190 nan 0.000 0.492 83 N N 3.583 122.348 118.700 0.108 0.000 2.427 83 N HA 0.032 4.772 4.740 -0.000 0.000 0.269 83 N C 0.248 175.777 175.510 0.030 0.000 1.235 83 N CA 0.396 53.497 53.050 0.085 0.000 0.934 83 N CB 0.245 38.807 38.487 0.124 0.000 1.121 83 N HN 0.805 nan 8.380 nan 0.000 0.480 84 E N 3.057 123.266 120.200 0.016 0.000 3.105 84 E HA 0.106 4.456 4.350 -0.000 0.000 0.198 84 E C 0.420 177.017 176.600 -0.004 0.000 0.976 84 E CA -0.097 56.295 56.400 -0.014 0.000 1.219 84 E CB 0.276 29.955 29.700 -0.035 0.000 1.081 84 E HN 0.480 nan 8.360 nan 0.000 0.464 85 V N 0.226 120.150 119.914 0.017 0.000 2.307 85 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 85 V C 1.058 177.160 176.094 0.013 0.000 1.045 85 V CA 1.523 63.832 62.300 0.016 0.000 1.024 85 V CB -0.273 31.563 31.823 0.022 0.000 0.651 85 V HN 0.242 nan 8.190 nan 0.000 0.449 86 E N -0.549 119.665 120.200 0.023 0.000 3.466 86 E HA 0.408 4.758 4.350 -0.000 0.000 0.265 86 E C 0.233 176.842 176.600 0.015 0.000 1.291 86 E CA -0.626 55.794 56.400 0.033 0.000 1.226 86 E CB 0.237 29.976 29.700 0.063 0.000 1.404 86 E HN 0.295 nan 8.360 nan 0.000 0.697 87 R N 0.364 120.896 120.500 0.054 0.000 2.459 87 R HA 0.385 4.725 4.340 -0.000 0.000 0.281 87 R C -0.265 175.957 176.300 -0.130 0.000 1.050 87 R CA -0.457 55.638 56.100 -0.007 0.000 1.055 87 R CB 0.361 30.727 30.300 0.108 0.000 1.045 87 R HN 0.305 nan 8.270 nan 0.000 0.495 88 L N 2.336 123.301 121.223 -0.429 0.000 2.439 88 L HA 0.517 4.857 4.340 -0.000 0.000 0.259 88 L C 0.082 176.641 176.870 -0.517 0.000 1.129 88 L CA -0.757 53.714 54.840 -0.614 0.000 0.803 88 L CB 0.455 41.907 42.059 -1.013 0.000 1.161 88 L HN 0.468 nan 8.230 nan 0.000 0.462 89 I N 0.076 120.497 120.570 -0.249 0.000 2.418 89 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 89 I C -0.625 175.750 176.117 0.430 0.000 1.008 89 I CA -0.479 60.847 61.300 0.043 0.000 1.104 89 I CB 1.571 39.461 38.000 -0.183 0.000 1.264 89 I HN 0.481 nan 8.210 nan 0.000 0.438 90 H N 5.413 124.816 119.070 0.554 0.000 2.594 90 H HA 0.315 4.871 4.556 -0.000 0.000 0.304 90 H C -1.109 174.445 175.328 0.376 0.000 1.068 90 H CA -0.380 55.926 56.048 0.431 0.000 1.308 90 H CB 0.408 30.346 29.762 0.292 0.000 1.409 90 H HN 0.501 nan 8.280 nan 0.000 0.460 91 H N 4.425 123.562 119.070 0.111 0.000 2.623 91 H HA 0.512 5.068 4.556 -0.000 0.000 0.299 91 H C -1.346 173.940 175.328 -0.071 0.000 1.052 91 H CA -0.522 55.535 56.048 0.016 0.000 1.231 91 H CB 0.241 30.025 29.762 0.037 0.000 1.389 91 H HN 0.395 nan 8.280 nan 0.000 0.469 92 V N 6.012 125.726 119.914 -0.333 0.000 2.709 92 V HA 0.251 4.371 4.120 -0.000 0.000 0.308 92 V C -0.568 175.447 176.094 -0.133 0.000 1.062 92 V CA -0.904 61.259 62.300 -0.229 0.000 0.901 92 V CB 1.373 33.015 31.823 -0.302 0.000 1.003 92 V HN 1.037 nan 8.190 nan 0.000 0.425 93 K N 4.803 125.147 120.400 -0.092 0.000 3.278 93 K HA -0.220 4.100 4.320 -0.000 0.000 0.270 93 K C 0.935 177.484 176.600 -0.084 0.000 0.955 93 K CA 0.763 57.025 56.287 -0.042 0.000 0.723 93 K CB -1.543 30.962 32.500 0.007 0.000 1.382 93 K HN 1.751 nan 8.250 nan 0.000 0.461 94 G N -0.280 108.417 108.800 -0.172 0.000 2.168 94 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 94 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 94 G C -0.039 174.724 174.900 -0.228 0.000 0.977 94 G CA 1.061 46.092 45.100 -0.115 0.000 0.659 94 G HN 0.386 nan 8.290 nan 0.000 0.533 95 K N -0.185 119.924 120.400 -0.485 0.000 2.385 95 K HA 0.603 4.923 4.320 -0.000 0.000 0.248 95 K C -0.794 175.460 176.600 -0.577 0.000 0.955 95 K CA -0.586 55.453 56.287 -0.414 0.000 0.816 95 K CB 1.836 34.121 32.500 -0.358 0.000 1.250 95 K HN 0.060 nan 8.250 nan 0.000 0.434 96 S N 1.812 117.284 115.700 -0.379 0.000 2.433 96 S HA 0.399 4.869 4.470 -0.000 0.000 0.310 96 S C -1.364 173.008 174.600 -0.381 0.000 1.097 96 S CA -0.575 57.517 58.200 -0.179 0.000 1.103 96 S CB 0.152 63.378 63.200 0.043 0.000 0.992 96 S HN 0.315 nan 8.310 nan 0.000 0.469 97 Y N 2.810 123.193 120.300 0.139 0.000 2.345 97 Y HA 0.415 4.965 4.550 -0.000 0.000 0.331 97 Y C -2.514 173.566 175.900 0.301 0.000 0.959 97 Y CA -2.700 55.522 58.100 0.203 0.000 1.204 97 Y CB 0.587 39.166 38.460 0.200 0.000 1.135 97 Y HN 0.429 nan 8.280 nan 0.000 0.477 98 P HA 0.331 nan 4.420 nan 0.000 0.274 98 P C -0.918 176.647 177.300 0.441 0.000 1.231 98 P CA -0.198 63.086 63.100 0.308 0.000 0.790 98 P CB 0.725 32.593 31.700 0.281 0.000 0.951 99 F N -1.590 118.455 119.950 0.157 0.000 2.817 99 F HA 0.671 5.198 4.527 -0.000 0.000 0.317 99 F C -1.195 174.662 175.800 0.095 0.000 1.168 99 F CA -1.231 56.848 58.000 0.132 0.000 0.911 99 F CB 1.220 40.294 39.000 0.124 0.000 1.337 99 F HN 0.022 nan 8.300 nan 0.000 0.464 100 R N 0.871 121.519 120.500 0.246 0.000 2.919 100 R HA 0.777 5.117 4.340 -0.000 0.000 0.260 100 R C -0.196 176.255 176.300 0.252 0.000 1.067 100 R CA -0.683 55.483 56.100 0.109 0.000 1.003 100 R CB 1.512 31.868 30.300 0.093 0.000 1.192 100 R HN 1.514 nan 8.270 nan 0.000 0.488 101 G N 0.925 109.806 108.800 0.135 0.000 2.796 101 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 101 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 101 G C -2.210 172.797 174.900 0.178 0.000 1.370 101 G CA -0.745 44.443 45.100 0.147 0.000 0.856 101 G HN 0.410 nan 8.290 nan 0.000 0.538 102 P HA 0.212 nan 4.420 nan 0.000 0.221 102 P C 0.474 177.638 177.300 -0.227 0.000 1.155 102 P CA 0.927 63.933 63.100 -0.157 0.000 0.812 102 P CB 0.154 31.586 31.700 -0.447 0.000 0.801 103 F N 0.059 119.986 119.950 -0.039 0.000 2.436 103 F HA 0.423 4.950 4.527 -0.000 0.000 0.340 103 F C -2.140 173.415 175.800 -0.409 0.000 1.113 103 F CA -2.984 54.890 58.000 -0.209 0.000 1.022 103 F CB 0.652 39.488 39.000 -0.273 0.000 1.128 103 F HN -0.303 nan 8.300 nan 0.000 0.466 104 P HA 0.134 nan 4.420 nan 0.000 0.271 104 P C -2.480 174.486 177.300 -0.556 0.000 1.216 104 P CA -0.956 61.362 63.100 -1.304 0.000 0.771 104 P CB -0.026 30.962 31.700 -1.188 0.000 0.864 105 P HA 0.184 nan 4.420 nan 0.000 0.281 105 P C -1.130 175.926 177.300 -0.408 0.000 1.249 105 P CA -0.222 62.647 63.100 -0.386 0.000 0.810 105 P CB 1.083 32.532 31.700 -0.418 0.000 1.008 106 V N 3.132 122.778 119.914 -0.447 0.000 2.588 106 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 106 V C -0.387 175.480 176.094 -0.378 0.000 1.042 106 V CA -0.520 61.568 62.300 -0.354 0.000 0.877 106 V CB 1.704 33.289 31.823 -0.397 0.000 0.996 106 V HN 0.628 nan 8.190 nan 0.000 0.425 107 W N 2.710 123.942 121.300 -0.113 0.000 2.699 107 W HA 0.298 4.958 4.660 -0.000 0.000 0.267 107 W C 1.337 177.807 176.519 -0.082 0.000 1.182 107 W CA 0.022 57.301 57.345 -0.110 0.000 1.453 107 W CB 0.229 29.632 29.460 -0.096 0.000 1.054 107 W HN 0.621 nan 8.180 nan 0.000 0.595 108 N N 2.095 120.897 118.700 0.169 0.000 2.365 108 N HA -0.075 4.665 4.740 -0.000 0.000 0.265 108 N C -1.823 173.752 175.510 0.109 0.000 1.288 108 N CA -0.101 53.016 53.050 0.111 0.000 0.869 108 N CB 1.243 39.775 38.487 0.076 0.000 1.071 108 N HN -0.087 nan 8.380 nan 0.000 0.480 109 P HA -0.054 nan 4.420 nan 0.000 0.217 109 P C 1.615 178.998 177.300 0.138 0.000 1.151 109 P CA 0.548 63.719 63.100 0.119 0.000 0.828 109 P CB 0.390 32.139 31.700 0.082 0.000 0.788 110 I N -0.146 120.481 120.570 0.095 0.000 2.072 110 I HA -0.209 3.961 4.170 -0.000 0.000 0.235 110 I C 2.016 178.189 176.117 0.093 0.000 1.058 110 I CA 2.013 63.358 61.300 0.076 0.000 1.320 110 I CB -2.073 35.966 38.000 0.064 0.000 1.047 110 I HN 0.020 nan 8.210 nan 0.000 0.397 111 T N 0.603 115.217 114.554 0.100 0.000 2.680 111 T HA -0.311 4.039 4.350 -0.000 0.000 0.268 111 T C 1.842 176.612 174.700 0.116 0.000 1.033 111 T CA 2.106 64.274 62.100 0.114 0.000 1.152 111 T CB -0.876 68.031 68.868 0.065 0.000 0.859 111 T HN 0.407 nan 8.240 nan 0.000 0.452 112 Y N 1.444 121.721 120.300 -0.039 0.000 2.165 112 Y HA -0.116 4.434 4.550 -0.000 0.000 0.286 112 Y C 2.094 177.997 175.900 0.004 0.000 1.155 112 Y CA 1.141 59.204 58.100 -0.063 0.000 1.164 112 Y CB -0.348 38.059 38.460 -0.089 0.000 0.978 112 Y HN 0.139 nan 8.280 nan 0.000 0.513 113 L N -0.137 121.066 121.223 -0.033 0.000 2.046 113 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 113 L C 2.190 178.987 176.870 -0.122 0.000 1.077 113 L CA 1.755 56.520 54.840 -0.126 0.000 0.747 113 L CB -0.646 41.391 42.059 -0.037 0.000 0.896 113 L HN 0.240 nan 8.230 nan 0.000 0.432 114 D N -0.815 119.571 120.400 -0.024 0.000 2.084 114 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 114 D C 2.172 178.482 176.300 0.017 0.000 0.990 114 D CA 1.395 55.406 54.000 0.017 0.000 0.826 114 D CB 0.014 40.870 40.800 0.094 0.000 0.971 114 D HN 0.283 nan 8.370 nan 0.000 0.453 115 H N -0.292 118.720 119.070 -0.097 0.000 2.290 115 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 115 H C 2.148 177.444 175.328 -0.052 0.000 1.087 115 H CA 1.410 57.413 56.048 -0.076 0.000 1.291 115 H CB -0.205 29.534 29.762 -0.038 0.000 1.369 115 H HN 0.311 nan 8.280 nan 0.000 0.492 116 N N 0.974 119.611 118.700 -0.105 0.000 2.223 116 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 116 N C 1.745 177.181 175.510 -0.123 0.000 1.016 116 N CA 0.762 53.688 53.050 -0.206 0.000 0.863 116 N CB -0.199 37.967 38.487 -0.536 0.000 0.983 116 N HN 0.419 nan 8.380 nan 0.000 0.429 117 N N 0.274 118.906 118.700 -0.113 0.000 2.142 117 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 117 N C 1.894 177.358 175.510 -0.077 0.000 1.023 117 N CA 0.761 53.753 53.050 -0.096 0.000 0.852 117 N CB -0.426 38.009 38.487 -0.087 0.000 0.998 117 N HN 0.237 nan 8.380 nan 0.000 0.424 118 F N 0.901 120.725 119.950 -0.211 0.000 2.043 118 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 118 F C 1.888 177.529 175.800 -0.265 0.000 1.121 118 F CA 1.892 59.713 58.000 -0.298 0.000 1.199 118 F CB -0.987 37.709 39.000 -0.507 0.000 0.968 118 F HN 0.083 nan 8.300 nan 0.000 0.478 119 W N 0.630 121.691 121.300 -0.398 0.000 2.350 119 W HA -0.153 4.507 4.660 -0.000 0.000 0.289 119 W C 2.809 179.068 176.519 -0.433 0.000 1.215 119 W CA 1.336 58.371 57.345 -0.516 0.000 1.236 119 W CB -0.427 28.864 29.460 -0.281 0.000 1.130 119 W HN -0.016 nan 8.180 nan 0.000 0.541 120 R N 0.032 120.459 120.500 -0.122 0.000 2.119 120 R HA -0.080 4.260 4.340 -0.000 0.000 0.222 120 R C 1.662 177.862 176.300 -0.166 0.000 1.088 120 R CA 1.788 57.806 56.100 -0.136 0.000 0.984 120 R CB -0.593 29.622 30.300 -0.141 0.000 0.884 120 R HN 0.061 nan 8.270 nan 0.000 0.447 121 T N 1.523 115.951 114.554 -0.210 0.000 2.857 121 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 121 T C 1.895 176.452 174.700 -0.238 0.000 1.048 121 T CA 0.917 62.901 62.100 -0.193 0.000 1.139 121 T CB -0.013 68.755 68.868 -0.166 0.000 0.874 121 T HN 0.100 nan 8.240 nan 0.000 0.455 122 M N 1.808 121.194 119.600 -0.356 0.000 2.082 122 M HA -0.111 4.369 4.480 -0.000 0.000 0.258 122 M C 1.793 177.984 176.300 -0.183 0.000 1.069 122 M CA 1.520 56.646 55.300 -0.289 0.000 1.102 122 M CB -1.168 31.241 32.600 -0.318 0.000 1.336 122 M HN 0.140 nan 8.290 nan 0.000 0.404 123 D N 0.295 120.600 120.400 -0.157 0.000 2.149 123 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 123 D C 1.659 177.899 176.300 -0.100 0.000 0.972 123 D CA 0.924 54.853 54.000 -0.118 0.000 0.835 123 D CB -0.221 40.517 40.800 -0.103 0.000 0.966 123 D HN 0.267 nan 8.370 nan 0.000 0.476 124 D N 0.121 120.461 120.400 -0.099 0.000 2.092 124 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 124 D C 2.145 178.439 176.300 -0.010 0.000 0.994 124 D CA 0.745 54.710 54.000 -0.058 0.000 0.828 124 D CB -0.243 40.522 40.800 -0.058 0.000 0.963 124 D HN 0.202 nan 8.370 nan 0.000 0.450 125 M N 0.063 119.636 119.600 -0.044 0.000 2.202 125 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 125 M C 2.143 178.473 176.300 0.050 0.000 1.063 125 M CA 1.575 56.863 55.300 -0.019 0.000 1.097 125 M CB -0.227 32.133 32.600 -0.400 0.000 1.382 125 M HN 0.045 nan 8.290 nan 0.000 0.413 126 G N -0.573 108.206 108.800 -0.036 0.000 2.421 126 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 126 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 126 G C 1.582 176.482 174.900 0.001 0.000 1.143 126 G CA 0.252 45.333 45.100 -0.031 0.000 0.784 126 G HN 0.357 nan 8.290 nan 0.000 0.541 127 R N -0.231 120.267 120.500 -0.004 0.000 2.241 127 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 127 R C 1.797 178.103 176.300 0.012 0.000 1.101 127 R CA 0.764 56.854 56.100 -0.016 0.000 0.995 127 R CB 0.082 30.367 30.300 -0.025 0.000 0.870 127 R HN 0.189 nan 8.270 nan 0.000 0.463 128 E N -0.272 119.972 120.200 0.074 0.000 2.479 128 E HA 0.133 4.483 4.350 -0.000 0.000 0.193 128 E C -0.435 176.204 176.600 0.066 0.000 1.049 128 E CA 0.289 56.734 56.400 0.076 0.000 0.870 128 E CB 0.425 30.213 29.700 0.147 0.000 0.944 128 E HN 0.205 nan 8.360 nan 0.000 0.492 129 I N 1.748 122.368 120.570 0.084 0.000 2.362 129 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 129 I C -2.333 173.792 176.117 0.014 0.000 0.994 129 I CA -2.603 58.741 61.300 0.074 0.000 1.158 129 I CB 1.776 39.878 38.000 0.171 0.000 1.315 129 I HN -0.223 nan 8.210 nan 0.000 0.451 130 P HA 0.226 nan 4.420 nan 0.000 0.281 130 P C 0.184 177.460 177.300 -0.041 0.000 1.252 130 P CA -0.250 62.793 63.100 -0.095 0.000 0.778 130 P CB 1.189 32.783 31.700 -0.178 0.000 0.895 131 S N 2.008 117.711 115.700 0.005 0.000 2.343 131 S HA -0.205 4.265 4.470 -0.000 0.000 0.219 131 S C 1.458 176.139 174.600 0.136 0.000 1.033 131 S CA 1.525 59.832 58.200 0.178 0.000 1.014 131 S CB -1.105 62.106 63.200 0.018 0.000 0.915 131 S HN 0.522 nan 8.310 nan 0.000 0.435 132 D N 1.806 122.162 120.400 -0.073 0.000 3.866 132 D HA -0.225 4.415 4.640 -0.000 0.000 0.210 132 D C 0.414 176.497 176.300 -0.362 0.000 1.279 132 D CA 2.056 55.930 54.000 -0.209 0.000 0.868 132 D CB -0.151 40.502 40.800 -0.245 0.000 0.938 132 D HN 0.526 nan 8.370 nan 0.000 0.571 133 A N -2.399 120.054 122.820 -0.611 0.000 2.969 133 A HA 0.342 4.662 4.320 -0.000 0.000 0.303 133 A C -2.032 174.715 177.584 -1.395 0.000 1.198 133 A CA -0.707 50.471 52.037 -1.432 0.000 0.819 133 A CB 0.929 19.308 19.000 -1.035 0.000 1.385 133 A HN 0.011 nan 8.150 nan 0.000 0.479 134 P HA -0.179 nan 4.420 nan 0.000 0.219 134 P C 1.123 178.206 177.300 -0.362 0.000 1.146 134 P CA 1.522 64.286 63.100 -0.560 0.000 0.808 134 P CB -0.269 31.058 31.700 -0.622 0.000 0.779 135 W N 0.605 121.836 121.300 -0.114 0.000 2.825 135 W HA 0.168 4.828 4.660 -0.000 0.000 0.243 135 W C 1.310 177.793 176.519 -0.060 0.000 1.293 135 W CA 0.249 57.550 57.345 -0.074 0.000 1.403 135 W CB -1.366 28.044 29.460 -0.082 0.000 1.134 135 W HN -0.106 nan 8.180 nan 0.000 0.666 136 K N 0.814 121.091 120.400 -0.205 0.000 2.374 136 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 136 K C 1.008 177.547 176.600 -0.101 0.000 1.023 136 K CA 0.085 56.315 56.287 -0.096 0.000 1.103 136 K CB 0.030 32.433 32.500 -0.163 0.000 0.848 136 K HN 0.091 nan 8.250 nan 0.000 0.528 137 A N 2.183 124.940 122.820 -0.105 0.000 2.531 137 A HA 0.075 4.395 4.320 -0.000 0.000 0.236 137 A C -1.616 175.871 177.584 -0.163 0.000 1.062 137 A CA -0.962 51.008 52.037 -0.112 0.000 0.760 137 A CB 0.060 19.023 19.000 -0.063 0.000 0.995 137 A HN 0.004 nan 8.150 nan 0.000 0.501 138 P HA -0.147 nan 4.420 nan 0.000 0.217 138 P C 0.529 177.644 177.300 -0.308 0.000 1.151 138 P CA 1.303 64.273 63.100 -0.216 0.000 0.849 138 P CB 0.062 31.636 31.700 -0.211 0.000 0.787 139 L N -2.531 118.361 121.223 -0.550 0.000 3.017 139 L HA 0.350 4.690 4.340 -0.000 0.000 0.255 139 L C 1.842 178.394 176.870 -0.531 0.000 1.247 139 L CA -0.283 54.139 54.840 -0.696 0.000 1.038 139 L CB -0.432 40.879 42.059 -1.247 0.000 1.380 139 L HN -0.102 nan 8.230 nan 0.000 0.548 140 A N 0.634 123.306 122.820 -0.247 0.000 1.896 140 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 140 A C 2.176 179.785 177.584 0.042 0.000 1.206 140 A CA 1.938 53.961 52.037 -0.024 0.000 0.647 140 A CB -0.231 18.790 19.000 0.034 0.000 0.828 140 A HN 0.485 nan 8.150 nan 0.000 0.455 141 E N -0.945 119.255 120.200 -0.000 0.000 2.049 141 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 141 E C 2.126 178.769 176.600 0.071 0.000 1.007 141 E CA 1.497 57.919 56.400 0.036 0.000 0.809 141 E CB -0.344 29.359 29.700 0.005 0.000 0.749 141 E HN 0.834 nan 8.360 nan 0.000 0.450 142 E N -0.304 119.913 120.200 0.028 0.000 2.072 142 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 142 E C 1.896 178.665 176.600 0.282 0.000 0.985 142 E CA 0.883 57.344 56.400 0.102 0.000 0.801 142 E CB 0.010 29.730 29.700 0.034 0.000 0.750 142 E HN 0.258 nan 8.360 nan 0.000 0.452 143 W N 1.112 122.454 121.300 0.069 0.000 2.409 143 W HA -0.071 4.589 4.660 -0.000 0.000 0.299 143 W C 2.014 178.601 176.519 0.113 0.000 1.203 143 W CA 0.937 58.334 57.345 0.087 0.000 1.298 143 W CB -1.127 28.384 29.460 0.085 0.000 1.127 143 W HN 0.206 nan 8.180 nan 0.000 0.528 144 D N -0.350 120.256 120.400 0.344 0.000 2.264 144 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 144 D C 1.340 177.766 176.300 0.209 0.000 0.966 144 D CA 0.959 55.119 54.000 0.266 0.000 0.864 144 D CB -0.260 40.676 40.800 0.226 0.000 0.933 144 D HN -0.128 nan 8.370 nan 0.000 0.499 145 N N -0.241 118.568 118.700 0.182 0.000 2.449 145 N HA 0.053 4.793 4.740 -0.000 0.000 0.191 145 N C -0.080 175.509 175.510 0.132 0.000 1.161 145 N CA 0.167 53.300 53.050 0.138 0.000 0.863 145 N CB 0.118 38.670 38.487 0.109 0.000 0.980 145 N HN 0.382 nan 8.380 nan 0.000 0.458 146 M N 0.233 119.927 119.600 0.156 0.000 2.446 146 M HA 0.256 4.736 4.480 -0.000 0.000 0.294 146 M C -0.654 175.722 176.300 0.127 0.000 1.158 146 M CA -0.528 54.850 55.300 0.130 0.000 0.899 146 M CB 1.888 34.575 32.600 0.145 0.000 1.687 146 M HN 0.001 nan 8.290 nan 0.000 0.455 147 T N 0.855 115.466 114.554 0.096 0.000 2.847 147 T HA 0.269 4.619 4.350 -0.000 0.000 0.279 147 T C 0.969 175.700 174.700 0.053 0.000 0.984 147 T CA -0.803 61.350 62.100 0.088 0.000 0.988 147 T CB 0.906 69.821 68.868 0.077 0.000 1.040 147 T HN 0.778 nan 8.240 nan 0.000 0.528 148 M N 0.194 119.805 119.600 0.020 0.000 2.229 148 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 148 M C 2.132 178.394 176.300 -0.064 0.000 1.063 148 M CA 1.400 56.669 55.300 -0.051 0.000 1.114 148 M CB -1.376 31.109 32.600 -0.192 0.000 1.387 148 M HN 0.904 nan 8.290 nan 0.000 0.420 149 K N 0.397 120.772 120.400 -0.042 0.000 2.057 149 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 149 K C 1.802 178.388 176.600 -0.024 0.000 1.049 149 K CA 1.623 57.892 56.287 -0.030 0.000 0.931 149 K CB -0.153 32.361 32.500 0.022 0.000 0.714 149 K HN 0.336 nan 8.250 nan 0.000 0.440 150 E N -0.030 120.169 120.200 -0.002 0.000 2.031 150 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 150 E C 1.942 178.537 176.600 -0.007 0.000 0.994 150 E CA 1.269 57.670 56.400 0.001 0.000 0.800 150 E CB -0.177 29.538 29.700 0.025 0.000 0.752 150 E HN 0.277 nan 8.360 nan 0.000 0.447 151 L N 1.269 122.489 121.223 -0.006 0.000 2.042 151 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 151 L C 2.065 178.929 176.870 -0.010 0.000 1.076 151 L CA 1.580 56.411 54.840 -0.015 0.000 0.749 151 L CB -0.507 41.527 42.059 -0.042 0.000 0.893 151 L HN 0.154 nan 8.230 nan 0.000 0.432 152 L N -0.770 120.438 121.223 -0.024 0.000 2.017 152 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 152 L C 2.271 179.101 176.870 -0.066 0.000 1.073 152 L CA 1.571 56.383 54.840 -0.048 0.000 0.745 152 L CB -0.937 41.060 42.059 -0.102 0.000 0.894 152 L HN 0.269 nan 8.230 nan 0.000 0.432 153 D N -0.107 120.252 120.400 -0.069 0.000 2.221 153 D HA -0.203 4.436 4.640 -0.000 0.000 0.204 153 D C 2.119 178.359 176.300 -0.101 0.000 0.982 153 D CA 1.220 55.166 54.000 -0.089 0.000 0.857 153 D CB 0.045 40.799 40.800 -0.076 0.000 0.934 153 D HN 0.250 nan 8.370 nan 0.000 0.475 154 K N -0.508 119.858 120.400 -0.056 0.000 2.166 154 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 154 K C 1.712 178.322 176.600 0.016 0.000 1.052 154 K CA 0.081 56.346 56.287 -0.036 0.000 0.969 154 K CB 0.168 32.672 32.500 0.007 0.000 0.761 154 K HN -0.042 nan 8.250 nan 0.000 0.459 155 L N 0.480 121.730 121.223 0.044 0.000 2.375 155 L HA 0.128 4.468 4.340 -0.000 0.000 0.215 155 L C -0.324 176.658 176.870 0.187 0.000 1.108 155 L CA 0.611 55.526 54.840 0.125 0.000 0.830 155 L CB 0.476 42.599 42.059 0.108 0.000 0.959 155 L HN 0.099 nan 8.230 nan 0.000 0.457 156 C N -0.894 118.454 119.300 0.081 0.000 2.271 156 C HA 0.208 4.668 4.460 -0.000 0.000 0.323 156 C C 0.679 175.715 174.990 0.077 0.000 1.245 156 C CA -0.891 58.160 59.018 0.054 0.000 1.548 156 C CB -0.476 27.194 27.740 -0.117 0.000 2.214 156 C HN 0.548 nan 8.230 nan 0.000 0.477 157 W N 1.909 123.178 121.300 -0.052 0.000 3.003 157 W HA 0.127 4.787 4.660 -0.000 0.000 0.257 157 W C 1.384 177.888 176.519 -0.025 0.000 1.308 157 W CA 0.140 57.467 57.345 -0.030 0.000 1.529 157 W CB -0.092 29.359 29.460 -0.015 0.000 1.115 157 W HN 0.652 nan 8.180 nan 0.000 0.659 158 T N -3.435 111.202 114.554 0.138 0.000 2.863 158 T HA 0.292 4.642 4.350 -0.000 0.000 0.285 158 T C 0.836 175.546 174.700 0.017 0.000 1.009 158 T CA -0.644 61.508 62.100 0.086 0.000 0.989 158 T CB 2.623 71.561 68.868 0.118 0.000 1.004 158 T HN -0.210 nan 8.240 nan 0.000 0.455 159 E N 1.281 121.488 120.200 0.013 0.000 2.118 159 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 159 E C 2.228 178.828 176.600 -0.001 0.000 0.992 159 E CA 1.568 57.962 56.400 -0.010 0.000 0.804 159 E CB -0.346 29.354 29.700 -0.001 0.000 0.741 159 E HN 0.806 nan 8.360 nan 0.000 0.458 160 S N 0.554 116.287 115.700 0.056 0.000 2.370 160 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 160 S C 2.102 176.745 174.600 0.072 0.000 1.033 160 S CA 1.517 59.793 58.200 0.127 0.000 1.011 160 S CB -0.037 63.289 63.200 0.210 0.000 0.852 160 S HN 0.253 nan 8.310 nan 0.000 0.457 161 A N 1.029 123.796 122.820 -0.089 0.000 1.970 161 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 161 A C 2.195 179.464 177.584 -0.526 0.000 1.170 161 A CA 1.357 53.067 52.037 -0.546 0.000 0.645 161 A CB -0.620 18.063 19.000 -0.529 0.000 0.816 161 A HN 0.619 nan 8.150 nan 0.000 0.447 162 K N -0.503 119.712 120.400 -0.308 0.000 2.097 162 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 162 K C 2.227 178.681 176.600 -0.244 0.000 1.049 162 K CA 1.559 57.675 56.287 -0.285 0.000 0.933 162 K CB -0.119 32.281 32.500 -0.167 0.000 0.717 162 K HN 0.616 nan 8.250 nan 0.000 0.442 163 Q N -0.024 119.682 119.800 -0.157 0.000 2.096 163 Q HA -0.121 4.219 4.340 -0.000 0.000 0.197 163 Q C 2.063 178.030 176.000 -0.056 0.000 0.964 163 Q CA 0.769 56.532 55.803 -0.067 0.000 0.838 163 Q CB 0.008 28.749 28.738 0.006 0.000 0.906 163 Q HN 0.185 nan 8.270 nan 0.000 0.444 164 L N 0.812 121.978 121.223 -0.095 0.000 2.046 164 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 164 L C 2.162 178.958 176.870 -0.122 0.000 1.077 164 L CA 2.033 56.852 54.840 -0.036 0.000 0.747 164 L CB -0.935 41.107 42.059 -0.027 0.000 0.896 164 L HN 0.118 nan 8.230 nan 0.000 0.432 165 A N -1.677 120.856 122.820 -0.479 0.000 1.865 165 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 165 A C 2.265 179.767 177.584 -0.136 0.000 1.191 165 A CA 2.434 54.133 52.037 -0.563 0.000 0.623 165 A CB -1.270 16.992 19.000 -1.229 0.000 0.826 165 A HN 0.483 nan 8.150 nan 0.000 0.444 166 T N 0.211 114.664 114.554 -0.170 0.000 2.624 166 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 166 T C 1.856 176.543 174.700 -0.023 0.000 1.041 166 T CA 1.658 63.697 62.100 -0.102 0.000 1.159 166 T CB -0.497 68.325 68.868 -0.078 0.000 0.863 166 T HN 0.390 nan 8.240 nan 0.000 0.434 167 L N 0.082 121.337 121.223 0.054 0.000 2.012 167 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 167 L C 2.250 179.228 176.870 0.180 0.000 1.073 167 L CA 1.564 56.478 54.840 0.124 0.000 0.748 167 L CB -0.437 41.730 42.059 0.181 0.000 0.891 167 L HN 0.216 nan 8.230 nan 0.000 0.431 168 F N -0.272 119.731 119.950 0.089 0.000 2.115 168 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 168 F C 2.062 177.962 175.800 0.166 0.000 1.092 168 F CA 2.103 60.218 58.000 0.191 0.000 1.245 168 F CB -0.781 38.413 39.000 0.323 0.000 0.995 168 F HN -0.101 nan 8.300 nan 0.000 0.481 169 V N 0.816 120.592 119.914 -0.230 0.000 2.270 169 V HA -0.319 3.801 4.120 -0.000 0.000 0.245 169 V C 2.083 178.023 176.094 -0.257 0.000 1.043 169 V CA 2.316 64.313 62.300 -0.505 0.000 1.014 169 V CB -1.014 30.388 31.823 -0.701 0.000 0.645 169 V HN 0.378 nan 8.190 nan 0.000 0.447 170 N N 0.178 118.782 118.700 -0.161 0.000 2.060 170 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 170 N C 1.701 177.160 175.510 -0.086 0.000 1.028 170 N CA 1.503 54.487 53.050 -0.110 0.000 0.861 170 N CB -0.256 38.210 38.487 -0.035 0.000 1.029 170 N HN 0.297 nan 8.380 nan 0.000 0.428 171 L N 0.519 121.728 121.223 -0.023 0.000 2.156 171 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 171 L C 1.923 178.822 176.870 0.047 0.000 1.095 171 L CA 1.322 56.166 54.840 0.008 0.000 0.770 171 L CB -0.501 41.572 42.059 0.022 0.000 0.914 171 L HN 0.263 nan 8.230 nan 0.000 0.439 172 C N -1.627 117.691 119.300 0.030 0.000 2.457 172 C HA 0.022 4.482 4.460 -0.000 0.000 0.278 172 C C 2.199 177.286 174.990 0.162 0.000 1.309 172 C CA 0.903 60.002 59.018 0.134 0.000 1.735 172 C CB -0.340 27.425 27.740 0.042 0.000 1.992 172 C HN 0.545 nan 8.230 nan 0.000 0.493 173 V N -2.343 117.569 119.914 -0.004 0.000 3.337 173 V HA 0.297 4.417 4.120 -0.000 0.000 0.307 173 V C 0.693 176.647 176.094 -0.233 0.000 1.505 173 V CA 0.802 63.060 62.300 -0.070 0.000 1.072 173 V CB -1.268 30.625 31.823 0.115 0.000 0.929 173 V HN 0.492 nan 8.190 nan 0.000 0.455 174 T N -1.365 112.990 114.554 -0.333 0.000 3.946 174 T HA -0.065 4.285 4.350 -0.000 0.000 0.356 174 T C 0.118 174.636 174.700 -0.304 0.000 0.758 174 T CA 1.312 63.188 62.100 -0.374 0.000 1.911 174 T CB -2.636 65.890 68.868 -0.569 0.000 1.835 174 T HN 2.441 nan 8.240 nan 0.000 0.807 175 A N -0.370 122.261 122.820 -0.316 0.000 2.594 175 A HA 0.749 5.069 4.320 -0.000 0.000 0.291 175 A C -0.430 176.938 177.584 -0.360 0.000 1.105 175 A CA -1.057 50.722 52.037 -0.430 0.000 0.694 175 A CB 1.221 19.751 19.000 -0.784 0.000 1.291 175 A HN 0.333 nan 8.150 nan 0.000 0.410 176 E N 0.488 120.439 120.200 -0.416 0.000 2.349 176 E HA 0.251 4.600 4.350 -0.000 0.000 0.265 176 E C 1.205 177.527 176.600 -0.464 0.000 1.064 176 E CA 0.521 56.659 56.400 -0.437 0.000 0.886 176 E CB 0.933 30.214 29.700 -0.698 0.000 1.036 176 E HN 0.792 nan 8.360 nan 0.000 0.413 177 T N -1.283 113.071 114.554 -0.334 0.000 2.788 177 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 177 T C 1.449 176.039 174.700 -0.184 0.000 1.044 177 T CA 1.644 63.590 62.100 -0.257 0.000 1.139 177 T CB -0.399 68.358 68.868 -0.185 0.000 0.867 177 T HN 0.629 nan 8.240 nan 0.000 0.454 178 H N 0.769 119.784 119.070 -0.091 0.000 2.559 178 H HA 0.225 4.781 4.556 -0.000 0.000 0.273 178 H C 1.388 176.695 175.328 -0.034 0.000 1.000 178 H CA 0.847 56.862 56.048 -0.055 0.000 1.195 178 H CB -0.220 29.509 29.762 -0.055 0.000 1.368 178 H HN 0.522 nan 8.280 nan 0.000 0.592 179 E N 1.227 121.225 120.200 -0.337 0.000 2.340 179 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 179 E C 0.679 177.282 176.600 0.005 0.000 0.996 179 E CA 0.389 56.685 56.400 -0.172 0.000 0.869 179 E CB 0.896 30.369 29.700 -0.378 0.000 0.835 179 E HN 0.368 nan 8.360 nan 0.000 0.493 180 V N -0.848 119.057 119.914 -0.014 0.000 2.715 180 V HA 0.442 4.562 4.120 -0.000 0.000 0.310 180 V C -0.064 176.167 176.094 0.228 0.000 1.054 180 V CA -1.215 61.182 62.300 0.162 0.000 0.928 180 V CB 1.818 33.773 31.823 0.219 0.000 1.007 180 V HN -0.002 nan 8.190 nan 0.000 0.437 181 S N 3.449 119.350 115.700 0.335 0.000 2.549 181 S HA 0.501 4.971 4.470 -0.000 0.000 0.279 181 S C 1.445 176.278 174.600 0.389 0.000 1.321 181 S CA 0.165 58.564 58.200 0.332 0.000 1.054 181 S CB 1.070 64.487 63.200 0.363 0.000 0.899 181 S HN 1.850 nan 8.310 nan 0.000 0.497 182 A N 4.611 127.589 122.820 0.264 0.000 1.908 182 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 182 A C 2.037 179.767 177.584 0.243 0.000 1.181 182 A CA 1.777 53.936 52.037 0.204 0.000 0.627 182 A CB -1.001 18.045 19.000 0.078 0.000 0.818 182 A HN 1.059 nan 8.150 nan 0.000 0.445 183 L N -1.572 119.838 121.223 0.312 0.000 2.017 183 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 183 L C 2.228 179.301 176.870 0.338 0.000 1.073 183 L CA 2.547 57.598 54.840 0.351 0.000 0.745 183 L CB -0.761 41.526 42.059 0.381 0.000 0.894 183 L HN 0.648 nan 8.230 nan 0.000 0.432 184 W N -0.448 120.989 121.300 0.229 0.000 2.355 184 W HA -0.279 4.381 4.660 -0.000 0.000 0.309 184 W C 2.373 179.118 176.519 0.376 0.000 1.206 184 W CA 1.994 59.486 57.345 0.247 0.000 1.284 184 W CB -0.762 28.811 29.460 0.188 0.000 1.145 184 W HN 0.290 nan 8.180 nan 0.000 0.502 185 F N 0.968 120.958 119.950 0.066 0.000 2.095 185 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 185 F C 2.160 177.838 175.800 -0.204 0.000 1.104 185 F CA 2.458 60.288 58.000 -0.282 0.000 1.232 185 F CB -0.821 38.156 39.000 -0.039 0.000 0.987 185 F HN -0.148 nan 8.300 nan 0.000 0.475 186 L N -1.354 119.845 121.223 -0.039 0.000 2.083 186 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 186 L C 2.297 179.067 176.870 -0.167 0.000 1.083 186 L CA 1.691 56.458 54.840 -0.122 0.000 0.752 186 L CB -1.015 40.998 42.059 -0.077 0.000 0.899 186 L HN 0.467 nan 8.230 nan 0.000 0.433 187 W N 0.013 121.154 121.300 -0.266 0.000 2.355 187 W HA -0.306 4.354 4.660 -0.000 0.000 0.309 187 W C 2.627 178.920 176.519 -0.377 0.000 1.206 187 W CA 1.522 58.705 57.345 -0.270 0.000 1.284 187 W CB -0.680 28.649 29.460 -0.219 0.000 1.145 187 W HN 0.097 nan 8.180 nan 0.000 0.502 188 Y N 0.720 120.539 120.300 -0.803 0.000 2.114 188 Y HA -0.334 4.216 4.550 -0.000 0.000 0.282 188 Y C 2.415 177.759 175.900 -0.926 0.000 1.165 188 Y CA 3.133 60.568 58.100 -1.109 0.000 1.148 188 Y CB -0.875 36.892 38.460 -1.156 0.000 0.972 188 Y HN -0.135 nan 8.280 nan 0.000 0.504 189 V N 0.777 120.265 119.914 -0.709 0.000 2.358 189 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 189 V C 2.228 177.989 176.094 -0.555 0.000 1.047 189 V CA 2.315 64.284 62.300 -0.551 0.000 1.035 189 V CB -0.759 30.841 31.823 -0.372 0.000 0.658 189 V HN 0.467 nan 8.190 nan 0.000 0.452 190 K N 1.945 122.031 120.400 -0.524 0.000 2.217 190 K HA -0.224 4.096 4.320 -0.000 0.000 0.202 190 K C 1.889 178.158 176.600 -0.552 0.000 1.051 190 K CA 1.754 57.778 56.287 -0.438 0.000 0.952 190 K CB -0.408 31.916 32.500 -0.294 0.000 0.736 190 K HN 0.586 nan 8.250 nan 0.000 0.453 191 Q N -0.435 118.889 119.800 -0.794 0.000 2.482 191 Q HA 0.075 4.415 4.340 -0.000 0.000 0.209 191 Q C 1.062 176.479 176.000 -0.973 0.000 0.961 191 Q CA 0.855 56.185 55.803 -0.788 0.000 0.945 191 Q CB -0.234 27.896 28.738 -1.014 0.000 1.012 191 Q HN 0.343 nan 8.270 nan 0.000 0.515 192 C N -0.693 117.912 119.300 -1.159 0.000 2.912 192 C HA 0.632 5.092 4.460 -0.000 0.000 0.274 192 C C 1.496 175.718 174.990 -1.280 0.000 1.248 192 C CA 0.109 58.027 59.018 -1.833 0.000 1.694 192 C CB -0.319 26.334 27.740 -1.811 0.000 2.024 192 C HN 0.777 nan 8.230 nan 0.000 0.605 193 G N -0.069 108.313 108.800 -0.697 0.000 2.151 193 G HA2 0.409 4.369 3.960 -0.000 0.000 0.140 193 G HA3 0.409 4.369 3.960 -0.000 0.000 0.140 193 G C 0.392 175.125 174.900 -0.279 0.000 1.020 193 G CA -0.050 44.818 45.100 -0.386 0.000 0.688 193 G HN 1.510 nan 8.290 nan 0.000 0.500 194 G N -1.355 107.262 108.800 -0.306 0.000 2.760 194 G HA2 0.219 4.179 3.960 -0.000 0.000 0.246 194 G HA3 0.219 4.179 3.960 -0.000 0.000 0.246 194 G C 1.206 176.026 174.900 -0.134 0.000 1.359 194 G CA 1.043 46.026 45.100 -0.195 0.000 0.861 194 G HN 1.839 nan 8.290 nan 0.000 0.541 195 T N -3.063 111.458 114.554 -0.056 0.000 2.674 195 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 195 T C 2.367 176.986 174.700 -0.134 0.000 1.039 195 T CA 2.929 65.013 62.100 -0.028 0.000 1.150 195 T CB -0.975 67.923 68.868 0.050 0.000 0.864 195 T HN 1.016 nan 8.240 nan 0.000 0.427 196 T N 1.358 115.853 114.554 -0.098 0.000 2.665 196 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 196 T C 2.155 176.773 174.700 -0.137 0.000 1.035 196 T CA 1.823 63.845 62.100 -0.129 0.000 1.151 196 T CB -0.369 68.483 68.868 -0.027 0.000 0.862 196 T HN 0.313 nan 8.240 nan 0.000 0.438 197 R N 0.692 121.135 120.500 -0.095 0.000 2.081 197 R HA 0.138 4.478 4.340 -0.000 0.000 0.235 197 R C 2.211 178.516 176.300 0.008 0.000 1.131 197 R CA 1.209 57.282 56.100 -0.044 0.000 0.960 197 R CB -0.795 29.465 30.300 -0.065 0.000 0.856 197 R HN 0.478 nan 8.270 nan 0.000 0.436 198 I N 0.254 120.802 120.570 -0.038 0.000 2.439 198 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 198 I C 1.679 177.840 176.117 0.074 0.000 1.139 198 I CA 1.103 62.439 61.300 0.060 0.000 1.438 198 I CB 0.073 38.093 38.000 0.034 0.000 1.085 198 I HN 0.315 nan 8.210 nan 0.000 0.427 199 I N -2.645 117.898 120.570 -0.045 0.000 3.226 199 I HA 0.109 4.279 4.170 -0.000 0.000 0.277 199 I C 0.911 176.930 176.117 -0.164 0.000 1.243 199 I CA 0.045 61.271 61.300 -0.124 0.000 1.459 199 I CB -0.174 37.624 38.000 -0.337 0.000 1.093 199 I HN -0.101 nan 8.210 nan 0.000 0.453 200 S N 1.454 117.061 115.700 -0.156 0.000 2.548 200 S HA 0.219 4.689 4.470 -0.000 0.000 0.277 200 S C 1.002 175.554 174.600 -0.079 0.000 1.315 200 S CA -0.213 57.904 58.200 -0.138 0.000 1.050 200 S CB 1.511 64.636 63.200 -0.125 0.000 0.918 200 S HN 0.328 nan 8.310 nan 0.000 0.497 201 T N 2.640 117.152 114.554 -0.070 0.000 2.764 201 T HA 0.010 4.360 4.350 -0.000 0.000 0.243 201 T C 0.750 175.411 174.700 -0.064 0.000 1.065 201 T CA 0.739 62.798 62.100 -0.068 0.000 1.219 201 T CB -0.283 68.549 68.868 -0.061 0.000 0.918 201 T HN 0.575 nan 8.240 nan 0.000 0.409 202 T N 3.365 117.887 114.554 -0.053 0.000 2.871 202 T HA 0.107 4.457 4.350 -0.000 0.000 0.296 202 T C 0.629 175.303 174.700 -0.043 0.000 0.998 202 T CA 0.330 62.404 62.100 -0.042 0.000 1.162 202 T CB -0.169 68.681 68.868 -0.029 0.000 0.947 202 T HN 0.526 nan 8.240 nan 0.000 0.536 203 N N 1.168 119.844 118.700 -0.040 0.000 2.735 203 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 203 N C 0.091 175.581 175.510 -0.033 0.000 1.083 203 N CA 1.306 54.336 53.050 -0.034 0.000 0.703 203 N CB -1.003 37.471 38.487 -0.022 0.000 1.005 203 N HN 0.964 nan 8.380 nan 0.000 0.550 204 G N -2.968 105.805 108.800 -0.045 0.000 2.846 204 G HA2 0.540 4.500 3.960 -0.000 0.000 0.299 204 G HA3 0.540 4.500 3.960 -0.000 0.000 0.299 204 G C 0.936 175.799 174.900 -0.062 0.000 1.242 204 G CA 0.011 45.097 45.100 -0.023 0.000 0.800 204 G HN 0.329 nan 8.290 nan 0.000 0.538 205 G N -0.811 107.977 108.800 -0.020 0.000 2.448 205 G HA2 0.035 3.995 3.960 -0.000 0.000 0.219 205 G HA3 0.035 3.995 3.960 -0.000 0.000 0.219 205 G C 1.080 175.900 174.900 -0.132 0.000 1.127 205 G CA 1.159 46.175 45.100 -0.139 0.000 0.766 205 G HN 0.405 nan 8.290 nan 0.000 0.552 206 Q N -0.479 119.258 119.800 -0.103 0.000 2.186 206 Q HA 0.288 4.628 4.340 -0.000 0.000 0.241 206 Q C 1.431 177.371 176.000 -0.100 0.000 0.849 206 Q CA -0.160 55.552 55.803 -0.152 0.000 1.053 206 Q CB 0.892 29.426 28.738 -0.339 0.000 1.146 206 Q HN 0.604 nan 8.270 nan 0.000 0.475 207 E N 0.834 120.975 120.200 -0.098 0.000 2.106 207 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 207 E C -0.083 176.450 176.600 -0.111 0.000 0.984 207 E CA 0.820 57.163 56.400 -0.094 0.000 0.806 207 E CB 0.443 30.082 29.700 -0.100 0.000 0.750 207 E HN 0.214 nan 8.360 nan 0.000 0.458 208 R N -0.842 119.566 120.500 -0.153 0.000 2.817 208 R HA 0.472 4.812 4.340 -0.000 0.000 0.268 208 R C -0.889 175.174 176.300 -0.395 0.000 1.027 208 R CA -0.852 55.072 56.100 -0.293 0.000 0.928 208 R CB 1.799 31.913 30.300 -0.309 0.000 1.228 208 R HN -0.171 nan 8.270 nan 0.000 0.469 209 K N 0.860 120.861 120.400 -0.664 0.000 2.444 209 K HA 0.421 4.741 4.320 -0.000 0.000 0.252 209 K C -0.993 175.298 176.600 -0.515 0.000 0.993 209 K CA -0.797 55.115 56.287 -0.626 0.000 0.847 209 K CB 1.697 33.877 32.500 -0.533 0.000 1.340 209 K HN 0.266 nan 8.250 nan 0.000 0.446 210 F N 1.162 121.056 119.950 -0.093 0.000 2.438 210 F HA 0.099 4.626 4.527 -0.000 0.000 0.356 210 F C 0.708 176.576 175.800 0.114 0.000 1.099 210 F CA -0.931 57.068 58.000 -0.002 0.000 1.185 210 F CB 0.921 39.895 39.000 -0.043 0.000 1.115 210 F HN 0.022 nan 8.300 nan 0.000 0.526 211 V N 4.010 124.135 119.914 0.352 0.000 2.509 211 V HA 0.190 4.310 4.120 -0.000 0.000 0.297 211 V C 0.970 176.984 176.094 -0.135 0.000 1.014 211 V CA 1.327 63.748 62.300 0.202 0.000 1.127 211 V CB 0.069 31.980 31.823 0.147 0.000 0.925 211 V HN 1.120 nan 8.190 nan 0.000 0.480 212 G N 3.183 111.550 108.800 -0.722 0.000 2.195 212 G HA2 0.161 4.121 3.960 -0.000 0.000 0.246 212 G HA3 0.161 4.121 3.960 -0.000 0.000 0.246 212 G C 0.805 175.236 174.900 -0.781 0.000 0.984 212 G CA -0.049 44.378 45.100 -1.122 0.000 0.633 212 G HN 2.399 nan 8.290 nan 0.000 0.525 213 G N -1.663 106.943 108.800 -0.323 0.000 2.555 213 G HA2 0.406 4.366 3.960 -0.000 0.000 0.686 213 G HA3 0.406 4.366 3.960 -0.000 0.000 0.686 213 G C 0.685 175.604 174.900 0.033 0.000 1.275 213 G CA 0.889 45.973 45.100 -0.025 0.000 0.871 213 G HN 1.876 nan 8.290 nan 0.000 0.603 214 S N -0.898 114.856 115.700 0.090 0.000 2.503 214 S HA 0.301 4.771 4.470 -0.000 0.000 0.215 214 S C 2.494 177.090 174.600 -0.007 0.000 1.003 214 S CA 1.272 59.509 58.200 0.062 0.000 0.910 214 S CB 0.343 63.669 63.200 0.210 0.000 0.790 214 S HN 2.202 nan 8.310 nan 0.000 0.514 215 G N 1.954 110.778 108.800 0.040 0.000 2.503 215 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 215 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 215 G C 1.430 176.323 174.900 -0.012 0.000 1.131 215 G CA 1.098 46.231 45.100 0.055 0.000 0.756 215 G HN 0.608 nan 8.290 nan 0.000 0.572 216 Q N -0.329 119.432 119.800 -0.066 0.000 2.173 216 Q HA -0.146 4.194 4.340 -0.000 0.000 0.208 216 Q C 2.826 178.746 176.000 -0.134 0.000 0.989 216 Q CA 1.515 57.252 55.803 -0.109 0.000 0.872 216 Q CB -0.339 28.304 28.738 -0.158 0.000 0.909 216 Q HN 0.456 nan 8.270 nan 0.000 0.420 217 V N 0.760 120.568 119.914 -0.177 0.000 2.233 217 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 217 V C 2.209 178.244 176.094 -0.098 0.000 1.050 217 V CA 2.300 64.491 62.300 -0.183 0.000 1.010 217 V CB -0.718 30.979 31.823 -0.210 0.000 0.637 217 V HN 0.433 nan 8.190 nan 0.000 0.444 218 S N -1.066 114.601 115.700 -0.055 0.000 2.446 218 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 218 S C 1.754 176.336 174.600 -0.030 0.000 1.016 218 S CA 0.892 59.074 58.200 -0.031 0.000 0.943 218 S CB -0.209 62.990 63.200 -0.001 0.000 0.786 218 S HN 0.644 nan 8.310 nan 0.000 0.508 219 E N 1.750 121.933 120.200 -0.028 0.000 2.023 219 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 219 E C 2.371 178.945 176.600 -0.042 0.000 1.003 219 E CA 1.115 57.499 56.400 -0.026 0.000 0.809 219 E CB -0.083 29.604 29.700 -0.021 0.000 0.755 219 E HN 0.407 nan 8.360 nan 0.000 0.449 220 R N 0.118 120.583 120.500 -0.058 0.000 2.152 220 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 220 R C 2.337 178.600 176.300 -0.062 0.000 1.117 220 R CA 0.916 56.979 56.100 -0.062 0.000 0.981 220 R CB -0.230 30.026 30.300 -0.075 0.000 0.870 220 R HN 0.290 nan 8.270 nan 0.000 0.451 221 I N 0.557 121.088 120.570 -0.064 0.000 2.353 221 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 221 I C 2.641 178.712 176.117 -0.077 0.000 1.119 221 I CA 0.992 62.251 61.300 -0.069 0.000 1.417 221 I CB -0.181 37.783 38.000 -0.059 0.000 1.078 221 I HN 0.203 nan 8.210 nan 0.000 0.421 222 M N 0.897 120.461 119.600 -0.060 0.000 2.159 222 M HA -0.242 4.238 4.480 -0.000 0.000 0.263 222 M C 1.554 177.817 176.300 -0.062 0.000 1.063 222 M CA 1.926 57.192 55.300 -0.057 0.000 1.110 222 M CB -0.167 32.410 32.600 -0.038 0.000 1.374 222 M HN 0.125 nan 8.290 nan 0.000 0.411 223 D N 0.758 121.125 120.400 -0.056 0.000 2.117 223 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 223 D C 1.987 178.248 176.300 -0.065 0.000 0.987 223 D CA 1.393 55.363 54.000 -0.050 0.000 0.829 223 D CB -0.455 40.320 40.800 -0.041 0.000 0.961 223 D HN 0.434 nan 8.370 nan 0.000 0.460 224 L N 0.175 121.347 121.223 -0.086 0.000 2.456 224 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 224 L C 1.871 178.619 176.870 -0.203 0.000 1.148 224 L CA 0.398 55.170 54.840 -0.113 0.000 0.825 224 L CB -0.071 41.920 42.059 -0.112 0.000 0.937 224 L HN 0.013 nan 8.230 nan 0.000 0.450 225 L N -1.077 120.030 121.223 -0.194 0.000 2.693 225 L HA 0.264 4.604 4.340 -0.000 0.000 0.235 225 L C 1.625 178.427 176.870 -0.112 0.000 1.127 225 L CA 0.019 54.715 54.840 -0.241 0.000 0.914 225 L CB -0.399 41.535 42.059 -0.207 0.000 1.193 225 L HN 0.345 nan 8.230 nan 0.000 0.502 226 G N 2.380 111.138 108.800 -0.071 0.000 2.661 226 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.327 226 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.327 226 G C 0.718 175.605 174.900 -0.022 0.000 1.320 226 G CA 0.688 45.769 45.100 -0.031 0.000 0.997 226 G HN 0.583 nan 8.290 nan 0.000 0.543 227 D N 0.703 121.101 120.400 -0.003 0.000 2.392 227 D HA -0.021 4.619 4.640 -0.000 0.000 0.228 227 D C 2.063 178.371 176.300 0.013 0.000 1.003 227 D CA 0.754 54.758 54.000 0.008 0.000 0.917 227 D CB -0.269 40.542 40.800 0.019 0.000 0.890 227 D HN 0.586 nan 8.370 nan 0.000 0.532 228 R N -0.058 120.443 120.500 0.002 0.000 2.148 228 R HA 0.057 4.397 4.340 -0.000 0.000 0.227 228 R C 0.406 176.699 176.300 -0.013 0.000 1.103 228 R CA 0.284 56.388 56.100 0.006 0.000 0.983 228 R CB 0.286 30.585 30.300 -0.002 0.000 0.874 228 R HN 0.064 nan 8.270 nan 0.000 0.451 229 V N 3.043 122.941 119.914 -0.028 0.000 2.432 229 V HA 0.083 4.203 4.120 -0.000 0.000 0.271 229 V C -0.200 175.874 176.094 -0.034 0.000 1.046 229 V CA -0.199 62.077 62.300 -0.041 0.000 0.945 229 V CB 1.416 33.213 31.823 -0.043 0.000 0.992 229 V HN 0.058 nan 8.190 nan 0.000 0.471 230 K N 6.729 127.097 120.400 -0.054 0.000 2.354 230 K HA 0.492 4.812 4.320 -0.000 0.000 0.257 230 K C -0.459 176.106 176.600 -0.059 0.000 1.062 230 K CA -0.318 55.946 56.287 -0.040 0.000 0.971 230 K CB 1.327 33.806 32.500 -0.035 0.000 1.305 230 K HN 0.491 nan 8.250 nan 0.000 0.449 231 L N 1.115 122.312 121.223 -0.043 0.000 2.474 231 L HA 0.039 4.379 4.340 -0.000 0.000 0.259 231 L C 0.912 177.745 176.870 -0.060 0.000 1.232 231 L CA -0.016 54.791 54.840 -0.056 0.000 0.821 231 L CB -0.093 41.942 42.059 -0.041 0.000 1.108 231 L HN 0.700 nan 8.230 nan 0.000 0.495 232 E N -0.156 119.994 120.200 -0.083 0.000 2.440 232 E HA -0.230 4.120 4.350 -0.000 0.000 0.246 232 E C -0.574 175.972 176.600 -0.090 0.000 1.165 232 E CA 0.467 56.815 56.400 -0.088 0.000 0.726 232 E CB -0.491 29.179 29.700 -0.051 0.000 1.271 232 E HN 0.300 nan 8.360 nan 0.000 0.397 233 R N 0.051 120.482 120.500 -0.116 0.000 2.724 233 R HA 0.267 4.607 4.340 -0.000 0.000 0.284 233 R C -2.718 173.497 176.300 -0.141 0.000 1.481 233 R CA -2.045 53.994 56.100 -0.102 0.000 1.652 233 R CB 0.709 30.953 30.300 -0.092 0.000 1.175 233 R HN -0.026 nan 8.270 nan 0.000 0.613 234 P HA 0.058 nan 4.420 nan 0.000 0.276 234 P C -0.201 177.068 177.300 -0.052 0.000 1.253 234 P CA -0.250 62.754 63.100 -0.160 0.000 0.766 234 P CB 0.990 32.596 31.700 -0.156 0.000 0.845 235 V N 5.442 125.335 119.914 -0.035 0.000 2.655 235 V HA 0.014 4.134 4.120 -0.000 0.000 0.300 235 V C 1.716 177.831 176.094 0.035 0.000 1.044 235 V CA 0.635 62.932 62.300 -0.004 0.000 1.095 235 V CB 0.185 31.997 31.823 -0.019 0.000 0.952 235 V HN 0.533 nan 8.190 nan 0.000 0.485 236 I N 1.525 122.125 120.570 0.050 0.000 4.526 236 I HA 0.457 4.627 4.170 -0.000 0.000 0.330 236 I C -0.121 176.079 176.117 0.139 0.000 1.323 236 I CA -0.067 61.289 61.300 0.093 0.000 1.218 236 I CB 0.555 38.595 38.000 0.066 0.000 1.233 236 I HN 0.494 nan 8.210 nan 0.000 0.430 237 Y N 1.807 122.054 120.300 -0.088 0.000 2.348 237 Y HA 0.683 5.233 4.550 -0.000 0.000 0.321 237 Y C -1.876 173.935 175.900 -0.148 0.000 1.163 237 Y CA -1.097 56.931 58.100 -0.120 0.000 1.070 237 Y CB 1.514 39.939 38.460 -0.059 0.000 1.250 237 Y HN -0.014 nan 8.280 nan 0.000 0.425 238 I N 5.663 125.824 120.570 -0.681 0.000 2.465 238 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 238 I C -1.322 174.414 176.117 -0.635 0.000 1.014 238 I CA -0.664 60.341 61.300 -0.492 0.000 1.093 238 I CB 1.833 39.643 38.000 -0.317 0.000 1.267 238 I HN 0.551 nan 8.210 nan 0.000 0.431 239 D N 5.531 125.696 120.400 -0.391 0.000 2.549 239 D HA 0.265 4.905 4.640 -0.000 0.000 0.251 239 D C -0.352 175.909 176.300 -0.064 0.000 1.153 239 D CA -0.232 53.614 54.000 -0.257 0.000 0.861 239 D CB 1.637 42.391 40.800 -0.076 0.000 1.207 239 D HN 0.484 nan 8.370 nan 0.000 0.543 240 Q N 1.846 121.631 119.800 -0.026 0.000 2.179 240 Q HA 0.108 4.448 4.340 -0.000 0.000 0.213 240 Q C 1.014 177.020 176.000 0.009 0.000 0.833 240 Q CA -0.015 55.789 55.803 0.001 0.000 0.990 240 Q CB 0.841 29.590 28.738 0.017 0.000 1.132 240 Q HN 0.488 nan 8.270 nan 0.000 0.493 241 T N 0.401 114.967 114.554 0.019 0.000 2.720 241 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 241 T C 1.115 175.826 174.700 0.019 0.000 1.037 241 T CA 1.191 63.307 62.100 0.026 0.000 1.144 241 T CB 0.090 68.984 68.868 0.043 0.000 0.864 241 T HN 0.158 nan 8.240 nan 0.000 0.444 242 R N 0.477 120.987 120.500 0.017 0.000 2.611 242 R HA 0.296 4.636 4.340 -0.000 0.000 0.243 242 R C 2.054 178.351 176.300 -0.004 0.000 1.260 242 R CA -0.315 55.791 56.100 0.010 0.000 1.095 242 R CB 0.157 30.466 30.300 0.015 0.000 1.259 242 R HN 0.133 nan 8.270 nan 0.000 0.575 243 E N 0.367 120.562 120.200 -0.009 0.000 2.028 243 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 243 E C -0.247 176.328 176.600 -0.042 0.000 0.988 243 E CA 0.914 57.300 56.400 -0.024 0.000 0.799 243 E CB 0.141 29.830 29.700 -0.018 0.000 0.755 243 E HN 0.299 nan 8.360 nan 0.000 0.447 244 N N 0.350 119.031 118.700 -0.031 0.000 2.492 244 N HA 0.142 4.882 4.740 -0.000 0.000 0.289 244 N C -0.761 174.734 175.510 -0.024 0.000 1.133 244 N CA -0.233 52.794 53.050 -0.039 0.000 0.961 244 N CB 1.974 40.448 38.487 -0.020 0.000 1.186 244 N HN -0.163 nan 8.380 nan 0.000 0.493 245 V N 2.349 122.244 119.914 -0.031 0.000 2.488 245 V HA 0.232 4.352 4.120 -0.000 0.000 0.277 245 V C 0.496 176.603 176.094 0.022 0.000 1.046 245 V CA -0.450 61.844 62.300 -0.009 0.000 0.986 245 V CB 0.338 32.154 31.823 -0.011 0.000 0.989 245 V HN 0.365 nan 8.190 nan 0.000 0.475 246 L N 5.559 126.801 121.223 0.033 0.000 2.295 246 L HA 0.603 4.943 4.340 -0.000 0.000 0.285 246 L C -0.503 176.409 176.870 0.071 0.000 1.035 246 L CA -0.455 54.429 54.840 0.073 0.000 0.806 246 L CB 1.740 43.863 42.059 0.107 0.000 1.214 246 L HN 0.396 nan 8.230 nan 0.000 0.426 247 V N 2.573 122.557 119.914 0.117 0.000 2.444 247 V HA 0.403 4.523 4.120 -0.000 0.000 0.294 247 V C -0.357 175.852 176.094 0.191 0.000 1.022 247 V CA -0.656 61.708 62.300 0.106 0.000 0.850 247 V CB 1.718 33.584 31.823 0.073 0.000 0.992 247 V HN 0.731 nan 8.190 nan 0.000 0.426 248 E N 2.680 122.992 120.200 0.186 0.000 2.199 248 E HA 0.613 4.962 4.350 -0.000 0.000 0.269 248 E C -0.333 176.343 176.600 0.127 0.000 0.899 248 E CA -0.454 56.061 56.400 0.193 0.000 0.772 248 E CB 2.057 31.881 29.700 0.206 0.000 1.155 248 E HN 0.860 nan 8.360 nan 0.000 0.408 249 T N 0.874 115.496 114.554 0.114 0.000 2.912 249 T HA 0.178 4.528 4.350 -0.000 0.000 0.280 249 T C 1.051 175.726 174.700 -0.042 0.000 0.989 249 T CA -0.782 61.340 62.100 0.038 0.000 0.995 249 T CB 1.006 69.906 68.868 0.054 0.000 1.077 249 T HN 0.420 nan 8.240 nan 0.000 0.531 250 L N 1.573 122.748 121.223 -0.080 0.000 2.131 250 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 250 L C 2.031 178.676 176.870 -0.374 0.000 1.092 250 L CA 2.102 56.847 54.840 -0.158 0.000 0.759 250 L CB -1.135 40.877 42.059 -0.078 0.000 0.903 250 L HN 0.939 nan 8.230 nan 0.000 0.435 251 N N -2.398 116.135 118.700 -0.279 0.000 2.398 251 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 251 N C 0.332 175.666 175.510 -0.295 0.000 1.122 251 N CA 0.977 53.836 53.050 -0.318 0.000 0.866 251 N CB -0.241 38.194 38.487 -0.086 0.000 0.970 251 N HN 0.595 nan 8.380 nan 0.000 0.462 252 H N -3.508 115.577 119.070 0.024 0.000 3.615 252 H HA -0.113 4.443 4.556 -0.000 0.000 0.163 252 H C -0.922 174.414 175.328 0.013 0.000 0.853 252 H CA 0.514 56.566 56.048 0.008 0.000 1.227 252 H CB -1.712 28.043 29.762 -0.012 0.000 0.912 252 H HN 0.341 nan 8.280 nan 0.000 0.442 253 E N 2.138 122.407 120.200 0.115 0.000 2.398 253 E HA 0.212 4.562 4.350 -0.000 0.000 0.263 253 E C 0.179 176.813 176.600 0.058 0.000 1.046 253 E CA 0.135 56.567 56.400 0.054 0.000 0.908 253 E CB 0.564 30.324 29.700 0.100 0.000 0.963 253 E HN 0.100 nan 8.360 nan 0.000 0.431 254 M N 2.655 122.192 119.600 -0.105 0.000 2.294 254 M HA 0.344 4.824 4.480 -0.000 0.000 0.335 254 M C -1.197 174.962 176.300 -0.236 0.000 1.079 254 M CA -0.543 54.734 55.300 -0.039 0.000 0.982 254 M CB 0.903 33.489 32.600 -0.024 0.000 1.651 254 M HN 0.453 nan 8.290 nan 0.000 0.437 255 Y N 0.244 120.562 120.300 0.029 0.000 2.446 255 Y HA 0.487 5.037 4.550 -0.000 0.000 0.345 255 Y C -0.022 175.891 175.900 0.022 0.000 0.984 255 Y CA -0.719 57.395 58.100 0.022 0.000 1.058 255 Y CB 1.847 40.319 38.460 0.019 0.000 1.220 255 Y HN 0.569 nan 8.280 nan 0.000 0.455 256 E N 1.467 121.752 120.200 0.141 0.000 2.210 256 E HA 0.846 5.196 4.350 -0.000 0.000 0.266 256 E C -1.443 175.202 176.600 0.075 0.000 0.883 256 E CA -0.839 55.610 56.400 0.080 0.000 0.761 256 E CB 1.882 31.605 29.700 0.038 0.000 1.156 256 E HN 0.741 nan 8.360 nan 0.000 0.412 257 A N 2.872 125.720 122.820 0.047 0.000 2.594 257 A HA 0.325 4.645 4.320 -0.000 0.000 0.295 257 A C 0.069 177.634 177.584 -0.032 0.000 1.071 257 A CA -0.635 51.423 52.037 0.034 0.000 0.685 257 A CB 1.417 20.457 19.000 0.067 0.000 1.285 257 A HN 0.644 nan 8.150 nan 0.000 0.405 258 K N -0.532 119.833 120.400 -0.060 0.000 2.147 258 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 258 K C -0.546 175.715 176.600 -0.566 0.000 1.049 258 K CA 1.713 57.835 56.287 -0.275 0.000 0.936 258 K CB -0.138 32.255 32.500 -0.179 0.000 0.722 258 K HN 0.620 nan 8.250 nan 0.000 0.446 259 Y N -1.661 118.662 120.300 0.039 0.000 2.644 259 Y HA 0.412 4.962 4.550 -0.000 0.000 0.338 259 Y C -0.739 175.189 175.900 0.046 0.000 1.119 259 Y CA -1.283 56.852 58.100 0.058 0.000 1.060 259 Y CB 2.017 40.492 38.460 0.024 0.000 1.294 259 Y HN -0.444 nan 8.280 nan 0.000 0.472 260 V N 2.966 123.025 119.914 0.242 0.000 2.686 260 V HA 0.428 4.548 4.120 -0.000 0.000 0.306 260 V C -0.750 175.398 176.094 0.090 0.000 1.065 260 V CA -0.845 61.526 62.300 0.117 0.000 0.894 260 V CB 2.098 33.958 31.823 0.062 0.000 1.004 260 V HN 0.536 nan 8.190 nan 0.000 0.424 261 I N 3.146 123.741 120.570 0.041 0.000 2.336 261 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 261 I C 0.295 176.411 176.117 -0.002 0.000 0.991 261 I CA -0.060 61.245 61.300 0.009 0.000 1.227 261 I CB 1.844 39.853 38.000 0.015 0.000 1.366 261 I HN 0.628 nan 8.210 nan 0.000 0.466 262 S N 5.537 121.215 115.700 -0.037 0.000 2.420 262 S HA 0.599 5.069 4.470 -0.000 0.000 0.313 262 S C 0.182 174.880 174.600 0.164 0.000 1.079 262 S CA -0.442 57.807 58.200 0.082 0.000 1.104 262 S CB 0.878 64.177 63.200 0.166 0.000 0.969 262 S HN 0.718 nan 8.310 nan 0.000 0.471 263 A N 5.845 128.746 122.820 0.135 0.000 2.855 263 A HA 0.478 4.798 4.320 -0.000 0.000 0.301 263 A C 0.237 177.904 177.584 0.139 0.000 1.076 263 A CA -0.692 51.428 52.037 0.138 0.000 1.004 263 A CB -0.548 18.509 19.000 0.095 0.000 1.152 263 A HN 0.931 nan 8.150 nan 0.000 0.531 264 I N -3.712 116.957 120.570 0.165 0.000 2.863 264 I HA 0.704 4.874 4.170 -0.000 0.000 0.311 264 I C -2.846 173.366 176.117 0.157 0.000 1.026 264 I CA -3.107 58.286 61.300 0.155 0.000 1.077 264 I CB 1.369 39.463 38.000 0.157 0.000 1.262 264 I HN -0.132 nan 8.210 nan 0.000 0.461 265 P HA 0.172 nan 4.420 nan 0.000 0.265 265 P C -2.195 175.154 177.300 0.082 0.000 1.193 265 P CA -0.769 62.398 63.100 0.112 0.000 0.765 265 P CB 0.011 31.767 31.700 0.093 0.000 0.823 266 P HA -0.275 nan 4.420 nan 0.000 0.216 266 P C 1.618 178.894 177.300 -0.039 0.000 1.167 266 P CA 2.117 65.212 63.100 -0.008 0.000 0.933 266 P CB -0.434 31.232 31.700 -0.056 0.000 0.793 267 T N -1.527 112.980 114.554 -0.079 0.000 2.977 267 T HA -0.068 4.281 4.350 -0.000 0.000 0.271 267 T C 1.411 176.091 174.700 -0.034 0.000 1.105 267 T CA 0.629 62.669 62.100 -0.100 0.000 1.116 267 T CB -0.794 67.985 68.868 -0.148 0.000 0.878 267 T HN -0.034 nan 8.240 nan 0.000 0.509 268 L N 0.145 121.379 121.223 0.019 0.000 2.599 268 L HA 0.222 4.562 4.340 -0.000 0.000 0.230 268 L C 2.562 179.495 176.870 0.104 0.000 1.141 268 L CA 0.471 55.346 54.840 0.058 0.000 0.877 268 L CB -0.431 41.684 42.059 0.093 0.000 1.009 268 L HN 0.327 nan 8.230 nan 0.000 0.447 269 G N -0.483 108.388 108.800 0.118 0.000 2.534 269 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 269 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 269 G C 1.585 176.617 174.900 0.220 0.000 1.128 269 G CA -0.040 45.192 45.100 0.220 0.000 0.784 269 G HN 0.117 nan 8.290 nan 0.000 0.542 270 M N 0.494 120.150 119.600 0.093 0.000 2.260 270 M HA -0.034 4.446 4.480 -0.000 0.000 0.261 270 M C 2.014 178.334 176.300 0.032 0.000 1.066 270 M CA 1.085 56.409 55.300 0.041 0.000 1.082 270 M CB -0.455 32.134 32.600 -0.019 0.000 1.388 270 M HN 0.172 nan 8.290 nan 0.000 0.419 271 K N -0.095 120.346 120.400 0.067 0.000 2.487 271 K HA 0.191 4.511 4.320 -0.000 0.000 0.192 271 K C 0.425 177.088 176.600 0.104 0.000 1.027 271 K CA 0.341 56.675 56.287 0.079 0.000 1.054 271 K CB 0.264 32.827 32.500 0.105 0.000 0.824 271 K HN 0.329 nan 8.250 nan 0.000 0.510 272 I N 0.829 121.436 120.570 0.062 0.000 2.493 272 I HA 0.126 4.296 4.170 -0.000 0.000 0.298 272 I C 0.126 176.131 176.117 -0.187 0.000 0.998 272 I CA -0.748 60.503 61.300 -0.083 0.000 1.137 272 I CB 1.514 39.333 38.000 -0.303 0.000 1.310 272 I HN 0.033 nan 8.210 nan 0.000 0.445 273 H N 5.871 124.815 119.070 -0.211 0.000 2.562 273 H HA 0.333 4.889 4.556 -0.000 0.000 0.314 273 H C -1.118 174.019 175.328 -0.319 0.000 1.079 273 H CA -0.250 55.757 56.048 -0.068 0.000 1.349 273 H CB 1.110 30.957 29.762 0.141 0.000 1.432 273 H HN 0.287 nan 8.280 nan 0.000 0.479 274 F N 1.956 121.931 119.950 0.041 0.000 2.450 274 F HA 0.184 4.711 4.527 -0.000 0.000 0.332 274 F C 0.604 176.369 175.800 -0.059 0.000 1.093 274 F CA -0.684 57.275 58.000 -0.068 0.000 1.003 274 F CB 1.326 40.304 39.000 -0.037 0.000 1.151 274 F HN 0.484 nan 8.300 nan 0.000 0.474 275 N N 3.769 122.484 118.700 0.023 0.000 2.500 275 N HA 0.392 5.132 4.740 -0.000 0.000 0.291 275 N C -3.121 172.412 175.510 0.039 0.000 1.092 275 N CA -2.163 50.914 53.050 0.045 0.000 0.890 275 N CB 2.231 40.751 38.487 0.055 0.000 1.466 275 N HN 0.065 nan 8.380 nan 0.000 0.507 276 P HA 0.307 nan 4.420 nan 0.000 0.273 276 P C -2.600 174.755 177.300 0.092 0.000 1.250 276 P CA -0.941 62.201 63.100 0.070 0.000 0.793 276 P CB -0.370 31.358 31.700 0.046 0.000 1.011 277 P HA 0.008 nan 4.420 nan 0.000 0.266 277 P C 0.098 177.405 177.300 0.011 0.000 1.186 277 P CA 0.552 63.697 63.100 0.074 0.000 0.767 277 P CB 0.133 31.861 31.700 0.048 0.000 0.820 278 L N 4.071 125.257 121.223 -0.062 0.000 2.482 278 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 278 L C -1.636 175.177 176.870 -0.096 0.000 1.228 278 L CA -1.626 53.113 54.840 -0.168 0.000 0.827 278 L CB -0.768 41.094 42.059 -0.328 0.000 1.099 278 L HN 0.306 nan 8.230 nan 0.000 0.494 279 P HA -0.089 nan 4.420 nan 0.000 0.265 279 P C 0.675 177.937 177.300 -0.062 0.000 1.187 279 P CA 0.040 63.102 63.100 -0.064 0.000 0.766 279 P CB 0.443 32.104 31.700 -0.065 0.000 0.820 280 M N 2.673 122.248 119.600 -0.041 0.000 2.088 280 M HA -0.250 4.230 4.480 -0.000 0.000 0.256 280 M C 1.258 177.553 176.300 -0.008 0.000 1.071 280 M CA 2.329 57.614 55.300 -0.025 0.000 1.097 280 M CB -0.433 32.156 32.600 -0.018 0.000 1.315 280 M HN 0.202 nan 8.290 nan 0.000 0.406 281 M N -0.106 119.484 119.600 -0.017 0.000 2.073 281 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 281 M C 2.301 178.629 176.300 0.047 0.000 1.070 281 M CA 2.150 57.467 55.300 0.028 0.000 1.103 281 M CB -1.597 30.966 32.600 -0.063 0.000 1.321 281 M HN 0.413 nan 8.290 nan 0.000 0.405 282 R N 0.437 120.900 120.500 -0.061 0.000 2.070 282 R HA -0.187 4.153 4.340 -0.000 0.000 0.233 282 R C 2.036 178.250 176.300 -0.144 0.000 1.137 282 R CA 2.108 58.126 56.100 -0.136 0.000 0.945 282 R CB -0.487 29.685 30.300 -0.213 0.000 0.845 282 R HN 0.376 nan 8.270 nan 0.000 0.430 283 N N 0.084 118.706 118.700 -0.130 0.000 2.096 283 N HA -0.265 4.475 4.740 -0.000 0.000 0.195 283 N C 1.603 177.045 175.510 -0.113 0.000 1.017 283 N CA 2.232 55.213 53.050 -0.115 0.000 0.870 283 N CB -0.046 38.394 38.487 -0.078 0.000 1.024 283 N HN 0.442 nan 8.380 nan 0.000 0.434 284 Q N -1.344 118.403 119.800 -0.088 0.000 2.204 284 Q HA -0.012 4.328 4.340 -0.000 0.000 0.198 284 Q C 1.996 177.774 176.000 -0.369 0.000 0.946 284 Q CA 0.516 56.226 55.803 -0.156 0.000 0.859 284 Q CB -0.078 28.642 28.738 -0.029 0.000 0.946 284 Q HN 0.487 nan 8.270 nan 0.000 0.474 285 M N 1.541 120.950 119.600 -0.318 0.000 2.082 285 M HA -0.190 4.290 4.480 -0.000 0.000 0.258 285 M C 2.036 178.103 176.300 -0.388 0.000 1.069 285 M CA 1.725 56.765 55.300 -0.433 0.000 1.102 285 M CB -0.493 32.030 32.600 -0.128 0.000 1.336 285 M HN 0.315 nan 8.290 nan 0.000 0.404 286 I N -1.368 119.036 120.570 -0.276 0.000 3.241 286 I HA -0.086 4.084 4.170 -0.000 0.000 0.280 286 I C 1.387 177.363 176.117 -0.235 0.000 1.320 286 I CA 1.383 62.541 61.300 -0.237 0.000 1.413 286 I CB -0.872 37.026 38.000 -0.169 0.000 1.060 286 I HN 0.323 nan 8.210 nan 0.000 0.500 287 T N -2.785 111.606 114.554 -0.272 0.000 3.054 287 T HA 0.299 4.649 4.350 -0.000 0.000 0.255 287 T C 1.438 175.953 174.700 -0.308 0.000 1.035 287 T CA -0.256 61.696 62.100 -0.246 0.000 0.941 287 T CB -0.053 68.697 68.868 -0.198 0.000 1.026 287 T HN 0.407 nan 8.240 nan 0.000 0.533 288 R N 1.184 121.436 120.500 -0.413 0.000 2.509 288 R HA 0.331 4.671 4.340 -0.000 0.000 0.300 288 R C -0.042 175.917 176.300 -0.569 0.000 0.985 288 R CA -0.033 55.790 56.100 -0.462 0.000 1.092 288 R CB 1.120 31.080 30.300 -0.566 0.000 1.237 288 R HN 0.430 nan 8.270 nan 0.000 0.546 289 V N -0.905 118.665 119.914 -0.573 0.000 2.384 289 V HA 0.449 4.569 4.120 -0.000 0.000 0.257 289 V C -2.630 173.103 176.094 -0.602 0.000 0.969 289 V CA -2.395 59.453 62.300 -0.752 0.000 0.910 289 V CB 0.510 31.852 31.823 -0.802 0.000 1.150 289 V HN -0.102 nan 8.190 nan 0.000 0.481 290 P HA 0.468 nan 4.420 nan 0.000 0.274 290 P C -0.530 176.530 177.300 -0.399 0.000 1.246 290 P CA -0.288 62.513 63.100 -0.498 0.000 0.795 290 P CB 1.809 33.205 31.700 -0.507 0.000 1.006 291 L N 0.508 121.651 121.223 -0.134 0.000 2.375 291 L HA 0.577 4.917 4.340 -0.000 0.000 0.268 291 L C 1.517 178.463 176.870 0.127 0.000 1.058 291 L CA -0.226 54.621 54.840 0.012 0.000 0.803 291 L CB 0.637 42.711 42.059 0.025 0.000 1.212 291 L HN 0.463 nan 8.230 nan 0.000 0.451 292 G N 0.073 108.946 108.800 0.123 0.000 2.570 292 G HA2 0.450 4.410 3.960 -0.000 0.000 0.276 292 G HA3 0.450 4.410 3.960 -0.000 0.000 0.276 292 G C -0.819 174.065 174.900 -0.027 0.000 1.346 292 G CA -0.365 44.745 45.100 0.017 0.000 1.034 292 G HN 0.503 nan 8.290 nan 0.000 0.512 293 S N -1.495 114.155 115.700 -0.083 0.000 2.594 293 S HA 0.587 5.057 4.470 -0.000 0.000 0.296 293 S C -1.117 173.450 174.600 -0.056 0.000 1.124 293 S CA -0.499 57.685 58.200 -0.027 0.000 1.011 293 S CB 1.733 64.930 63.200 -0.005 0.000 1.016 293 S HN 0.824 nan 8.310 nan 0.000 0.485 294 V N 4.527 124.460 119.914 0.031 0.000 3.077 294 V HA 0.596 4.716 4.120 -0.000 0.000 0.299 294 V C -1.966 174.271 176.094 0.239 0.000 1.276 294 V CA -0.777 61.573 62.300 0.084 0.000 0.993 294 V CB 1.863 33.675 31.823 -0.019 0.000 1.076 294 V HN 0.892 nan 8.190 nan 0.000 0.434 295 I N 4.959 125.688 120.570 0.264 0.000 2.389 295 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 295 I C -0.236 176.105 176.117 0.374 0.000 0.999 295 I CA -0.673 60.802 61.300 0.292 0.000 1.129 295 I CB 1.763 39.877 38.000 0.190 0.000 1.288 295 I HN 0.494 nan 8.210 nan 0.000 0.444 296 K N 5.454 126.108 120.400 0.423 0.000 2.201 296 K HA 0.576 4.896 4.320 -0.000 0.000 0.278 296 K C -1.392 175.309 176.600 0.168 0.000 1.027 296 K CA -0.320 56.178 56.287 0.352 0.000 0.909 296 K CB 1.032 33.794 32.500 0.436 0.000 1.062 296 K HN 0.691 nan 8.250 nan 0.000 0.465 297 C N 5.287 124.643 119.300 0.093 0.000 2.441 297 C HA 0.566 5.026 4.460 -0.000 0.000 0.318 297 C C -0.762 174.242 174.990 0.024 0.000 1.222 297 C CA -1.110 57.946 59.018 0.063 0.000 1.474 297 C CB 0.014 27.895 27.740 0.234 0.000 2.125 297 C HN 0.711 nan 8.230 nan 0.000 0.479 298 I N 2.861 123.384 120.570 -0.078 0.000 2.436 298 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 298 I C -0.354 175.721 176.117 -0.071 0.000 1.010 298 I CA -0.234 60.985 61.300 -0.134 0.000 1.098 298 I CB 1.623 39.496 38.000 -0.211 0.000 1.266 298 I HN 0.341 nan 8.210 nan 0.000 0.434 299 V N 6.697 126.554 119.914 -0.096 0.000 2.409 299 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 299 V C -0.828 175.031 176.094 -0.391 0.000 1.020 299 V CA -0.723 61.550 62.300 -0.046 0.000 0.848 299 V CB 1.209 33.074 31.823 0.070 0.000 0.990 299 V HN 0.419 nan 8.190 nan 0.000 0.430 300 Y N 4.303 124.534 120.300 -0.116 0.000 2.323 300 Y HA 0.614 5.164 4.550 -0.000 0.000 0.331 300 Y C -0.250 175.525 175.900 -0.208 0.000 1.092 300 Y CA -0.226 57.853 58.100 -0.035 0.000 1.150 300 Y CB 1.212 39.754 38.460 0.138 0.000 1.200 300 Y HN 0.525 nan 8.280 nan 0.000 0.472 301 Y N 0.516 121.056 120.300 0.400 0.000 2.536 301 Y HA 0.268 4.818 4.550 -0.000 0.000 0.347 301 Y C 1.135 177.174 175.900 0.232 0.000 1.000 301 Y CA -1.329 56.979 58.100 0.347 0.000 1.051 301 Y CB 2.015 40.776 38.460 0.500 0.000 1.259 301 Y HN 0.524 nan 8.280 nan 0.000 0.468 302 K N 0.516 121.126 120.400 0.350 0.000 2.103 302 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 302 K C -0.252 176.415 176.600 0.112 0.000 1.048 302 K CA 1.715 58.104 56.287 0.170 0.000 0.930 302 K CB 0.221 32.792 32.500 0.119 0.000 0.716 302 K HN 0.686 nan 8.250 nan 0.000 0.444 303 E N -1.258 119.024 120.200 0.136 0.000 2.390 303 E HA 0.189 4.539 4.350 -0.000 0.000 0.277 303 E C -2.702 173.777 176.600 -0.201 0.000 0.939 303 E CA -2.212 54.180 56.400 -0.015 0.000 0.769 303 E CB 2.288 31.970 29.700 -0.030 0.000 1.251 303 E HN -0.101 nan 8.360 nan 0.000 0.450 304 P HA 0.005 nan 4.420 nan 0.000 0.235 304 P C 0.505 176.955 177.300 -1.417 0.000 1.720 304 P CA 0.168 62.457 63.100 -1.352 0.000 1.003 304 P CB -1.004 30.208 31.700 -0.812 0.000 1.968 305 F N 0.044 119.408 119.950 -0.977 0.000 2.202 305 F HA -0.157 4.370 4.527 -0.000 0.000 0.301 305 F C 1.881 177.477 175.800 -0.340 0.000 1.082 305 F CA 0.127 57.840 58.000 -0.478 0.000 1.313 305 F CB -1.952 36.897 39.000 -0.251 0.000 1.024 305 F HN 0.119 nan 8.300 nan 0.000 0.495 306 W N 1.586 122.560 121.300 -0.544 0.000 2.325 306 W HA -0.092 4.568 4.660 -0.000 0.000 0.299 306 W C 2.129 178.576 176.519 -0.121 0.000 1.215 306 W CA 1.284 58.470 57.345 -0.264 0.000 1.244 306 W CB -1.221 28.040 29.460 -0.333 0.000 1.140 306 W HN -0.109 nan 8.180 nan 0.000 0.523 307 R N 1.110 121.405 120.500 -0.342 0.000 2.096 307 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 307 R C 2.079 178.301 176.300 -0.129 0.000 1.127 307 R CA 1.763 57.769 56.100 -0.156 0.000 0.968 307 R CB -0.639 29.532 30.300 -0.215 0.000 0.861 307 R HN 0.261 nan 8.270 nan 0.000 0.440 308 K N 0.997 121.307 120.400 -0.150 0.000 2.152 308 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 308 K C 1.482 178.011 176.600 -0.119 0.000 1.048 308 K CA 1.198 57.421 56.287 -0.107 0.000 0.933 308 K CB 0.087 32.538 32.500 -0.081 0.000 0.721 308 K HN 0.072 nan 8.250 nan 0.000 0.447 309 K N 0.569 120.872 120.400 -0.163 0.000 2.476 309 K HA -0.047 4.273 4.320 -0.000 0.000 0.196 309 K C -0.441 175.878 176.600 -0.468 0.000 1.025 309 K CA 0.211 56.305 56.287 -0.323 0.000 1.138 309 K CB 0.280 32.517 32.500 -0.438 0.000 0.860 309 K HN 0.065 nan 8.250 nan 0.000 0.515 310 D N 0.029 120.288 120.400 -0.235 0.000 2.800 310 D HA -0.224 4.416 4.640 -0.000 0.000 0.232 310 D C -1.378 174.923 176.300 0.001 0.000 1.137 310 D CA 0.932 54.861 54.000 -0.119 0.000 0.718 310 D CB -1.322 39.425 40.800 -0.087 0.000 1.084 310 D HN 0.357 nan 8.370 nan 0.000 0.432 311 Y N -0.867 119.465 120.300 0.052 0.000 2.364 311 Y HA 0.315 4.865 4.550 -0.000 0.000 0.340 311 Y C 1.942 177.901 175.900 0.099 0.000 0.975 311 Y CA -1.007 57.120 58.100 0.046 0.000 1.089 311 Y CB 1.321 39.819 38.460 0.063 0.000 1.192 311 Y HN 0.268 nan 8.280 nan 0.000 0.454 312 C N -0.984 118.424 119.300 0.180 0.000 2.514 312 C HA 0.478 4.938 4.460 -0.000 0.000 0.271 312 C C 1.664 176.700 174.990 0.077 0.000 1.399 312 C CA 0.674 59.774 59.018 0.136 0.000 1.765 312 C CB -0.832 26.921 27.740 0.022 0.000 1.893 312 C HN 1.207 nan 8.230 nan 0.000 0.531 313 G N -0.313 108.387 108.800 -0.167 0.000 2.336 313 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.194 313 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.194 313 G C 0.067 174.654 174.900 -0.521 0.000 0.999 313 G CA 0.150 44.878 45.100 -0.619 0.000 0.669 313 G HN 0.519 nan 8.290 nan 0.000 0.482 314 T N 2.566 116.901 114.554 -0.365 0.000 2.834 314 T HA 0.600 4.950 4.350 -0.000 0.000 0.298 314 T C 0.265 174.766 174.700 -0.331 0.000 0.966 314 T CA 0.690 62.559 62.100 -0.384 0.000 1.141 314 T CB 0.662 69.347 68.868 -0.305 0.000 0.905 314 T HN 0.307 nan 8.240 nan 0.000 0.535 315 M N 4.109 123.510 119.600 -0.332 0.000 2.327 315 M HA 0.489 4.969 4.480 -0.000 0.000 0.298 315 M C -0.931 175.369 176.300 0.000 0.000 1.065 315 M CA -0.569 54.649 55.300 -0.137 0.000 0.916 315 M CB 2.227 34.740 32.600 -0.144 0.000 1.630 315 M HN 0.389 nan 8.290 nan 0.000 0.442 316 I N 4.485 125.198 120.570 0.239 0.000 2.328 316 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 316 I C -0.852 175.519 176.117 0.424 0.000 1.012 316 I CA -0.311 61.230 61.300 0.403 0.000 1.195 316 I CB 0.947 39.228 38.000 0.469 0.000 1.350 316 I HN 0.612 nan 8.210 nan 0.000 0.464 317 I N 5.661 126.437 120.570 0.343 0.000 2.390 317 I HA 0.247 4.417 4.170 -0.000 0.000 0.283 317 I C 0.014 176.294 176.117 0.272 0.000 1.016 317 I CA -0.525 60.957 61.300 0.304 0.000 1.151 317 I CB 0.844 38.981 38.000 0.230 0.000 1.293 317 I HN 0.470 nan 8.210 nan 0.000 0.458 318 D N 4.832 125.383 120.400 0.252 0.000 2.368 318 D HA 0.432 5.072 4.640 -0.000 0.000 0.240 318 D C 0.470 176.862 176.300 0.154 0.000 1.169 318 D CA 0.962 55.078 54.000 0.194 0.000 0.906 318 D CB 1.502 42.392 40.800 0.151 0.000 1.187 318 D HN 0.811 nan 8.370 nan 0.000 0.435 319 G N 1.077 109.953 108.800 0.126 0.000 2.650 319 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 319 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 319 G C 0.465 175.431 174.900 0.110 0.000 1.205 319 G CA 0.077 45.241 45.100 0.106 0.000 0.781 319 G HN 0.464 nan 8.290 nan 0.000 0.648 320 E N 0.183 120.443 120.200 0.099 0.000 2.158 320 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 320 E C 2.085 178.744 176.600 0.099 0.000 0.982 320 E CA 2.237 58.706 56.400 0.115 0.000 0.823 320 E CB -0.009 29.755 29.700 0.107 0.000 0.766 320 E HN 0.631 nan 8.360 nan 0.000 0.468 321 E N 0.723 120.972 120.200 0.081 0.000 2.152 321 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 321 E C 0.435 177.067 176.600 0.053 0.000 0.983 321 E CA 0.843 57.281 56.400 0.063 0.000 0.818 321 E CB -0.374 29.359 29.700 0.056 0.000 0.758 321 E HN 0.301 nan 8.360 nan 0.000 0.467 322 A N 2.844 125.705 122.820 0.069 0.000 2.491 322 A HA 0.143 4.463 4.320 -0.000 0.000 0.261 322 A C -1.321 176.287 177.584 0.040 0.000 1.101 322 A CA -1.030 51.041 52.037 0.056 0.000 0.772 322 A CB 0.105 19.161 19.000 0.094 0.000 1.043 322 A HN 0.016 nan 8.150 nan 0.000 0.501 323 P HA -0.015 nan 4.420 nan 0.000 0.223 323 P C 0.062 177.386 177.300 0.040 0.000 1.151 323 P CA 0.937 64.040 63.100 0.004 0.000 0.787 323 P CB 0.157 31.840 31.700 -0.027 0.000 0.788 324 V N -0.224 119.731 119.914 0.069 0.000 2.623 324 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 324 V C 0.857 177.060 176.094 0.181 0.000 1.054 324 V CA -0.242 62.142 62.300 0.140 0.000 0.882 324 V CB 1.745 33.660 31.823 0.154 0.000 1.002 324 V HN -0.081 nan 8.190 nan 0.000 0.424 325 A N 4.334 127.295 122.820 0.234 0.000 2.169 325 A HA 0.327 4.647 4.320 -0.000 0.000 0.210 325 A C 0.115 177.918 177.584 0.365 0.000 1.168 325 A CA 0.629 52.828 52.037 0.269 0.000 0.813 325 A CB 0.213 19.363 19.000 0.250 0.000 0.861 325 A HN 0.781 nan 8.150 nan 0.000 0.481 326 Y N 0.401 120.824 120.300 0.205 0.000 2.396 326 Y HA 0.480 5.030 4.550 -0.000 0.000 0.332 326 Y C -0.355 175.607 175.900 0.104 0.000 1.034 326 Y CA -0.548 57.661 58.100 0.181 0.000 1.057 326 Y CB 1.637 40.249 38.460 0.253 0.000 1.220 326 Y HN 0.114 nan 8.280 nan 0.000 0.440 327 T N 4.351 118.641 114.554 -0.440 0.000 2.907 327 T HA 0.844 5.194 4.350 -0.000 0.000 0.292 327 T C -1.241 173.060 174.700 -0.664 0.000 1.043 327 T CA -0.825 61.003 62.100 -0.453 0.000 1.003 327 T CB 1.861 70.470 68.868 -0.431 0.000 1.084 327 T HN 0.597 nan 8.240 nan 0.000 0.483 328 L N 0.926 121.870 121.223 -0.466 0.000 2.350 328 L HA 0.558 4.898 4.340 -0.000 0.000 0.260 328 L C -0.730 175.952 176.870 -0.313 0.000 1.015 328 L CA -1.253 53.366 54.840 -0.367 0.000 0.821 328 L CB 2.231 44.151 42.059 -0.231 0.000 1.370 328 L HN 0.734 nan 8.230 nan 0.000 0.416 329 D N 0.245 120.504 120.400 -0.236 0.000 2.308 329 D HA 0.067 4.707 4.640 -0.000 0.000 0.251 329 D C -0.399 175.910 176.300 0.014 0.000 1.127 329 D CA 0.279 54.188 54.000 -0.152 0.000 0.876 329 D CB 1.445 42.248 40.800 0.004 0.000 1.176 329 D HN 0.435 nan 8.370 nan 0.000 0.446 330 D N 1.758 122.175 120.400 0.028 0.000 2.501 330 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 330 D C -0.433 175.948 176.300 0.135 0.000 1.202 330 D CA -0.094 53.952 54.000 0.076 0.000 0.829 330 D CB 0.357 41.142 40.800 -0.026 0.000 1.023 330 D HN 0.262 nan 8.370 nan 0.000 0.499 331 T N 1.751 116.420 114.554 0.192 0.000 2.902 331 T HA 0.032 4.382 4.350 -0.000 0.000 0.301 331 T C 0.617 175.386 174.700 0.116 0.000 1.012 331 T CA -0.100 62.112 62.100 0.186 0.000 1.151 331 T CB 0.849 69.837 68.868 0.198 0.000 0.946 331 T HN -0.034 nan 8.240 nan 0.000 0.542 332 K N 4.397 124.829 120.400 0.053 0.000 2.397 332 K HA 0.026 4.346 4.320 -0.000 0.000 0.265 332 K C -1.381 175.117 176.600 -0.170 0.000 0.982 332 K CA -1.388 54.834 56.287 -0.107 0.000 0.931 332 K CB 0.025 32.477 32.500 -0.081 0.000 0.943 332 K HN 0.353 nan 8.250 nan 0.000 0.501 333 P HA -0.140 nan 4.420 nan 0.000 0.223 333 P C 0.383 177.619 177.300 -0.106 0.000 1.144 333 P CA 1.347 64.260 63.100 -0.313 0.000 0.783 333 P CB 0.318 31.733 31.700 -0.475 0.000 0.771 334 E N -0.646 119.512 120.200 -0.069 0.000 2.112 334 E HA 0.097 4.447 4.350 -0.000 0.000 0.190 334 E C 1.779 178.373 176.600 -0.010 0.000 0.979 334 E CA 1.560 57.949 56.400 -0.019 0.000 0.814 334 E CB -0.653 29.054 29.700 0.011 0.000 0.762 334 E HN 0.332 nan 8.360 nan 0.000 0.460 335 G N -0.574 108.225 108.800 -0.001 0.000 2.296 335 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.188 335 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.188 335 G C 0.176 175.078 174.900 0.004 0.000 1.000 335 G CA -0.283 44.811 45.100 -0.009 0.000 0.672 335 G HN 0.090 nan 8.290 nan 0.000 0.483 336 N N 0.229 118.951 118.700 0.037 0.000 2.381 336 N HA 0.336 5.076 4.740 -0.000 0.000 0.241 336 N C 0.466 176.080 175.510 0.174 0.000 1.279 336 N CA 0.242 53.326 53.050 0.057 0.000 0.896 336 N CB -0.256 38.376 38.487 0.242 0.000 1.118 336 N HN 0.356 nan 8.380 nan 0.000 0.438 337 Y N -2.301 118.026 120.300 0.045 0.000 2.980 337 Y HA -0.263 4.287 4.550 -0.000 0.000 0.199 337 Y C 0.740 176.764 175.900 0.206 0.000 1.319 337 Y CA 0.251 58.423 58.100 0.120 0.000 0.877 337 Y CB -1.941 36.555 38.460 0.060 0.000 1.259 337 Y HN 0.475 nan 8.280 nan 0.000 0.437 338 A N 0.739 123.728 122.820 0.282 0.000 2.445 338 A HA 0.785 5.105 4.320 -0.000 0.000 0.242 338 A C 0.598 178.416 177.584 0.390 0.000 1.075 338 A CA 0.391 52.606 52.037 0.297 0.000 0.777 338 A CB 0.568 19.668 19.000 0.167 0.000 1.013 338 A HN 1.493 nan 8.150 nan 0.000 0.493 339 A N 1.373 124.411 122.820 0.362 0.000 2.608 339 A HA 0.627 4.947 4.320 -0.000 0.000 0.292 339 A C -1.210 176.348 177.584 -0.042 0.000 1.066 339 A CA -0.494 51.571 52.037 0.046 0.000 0.676 339 A CB 0.903 19.622 19.000 -0.469 0.000 1.277 339 A HN 0.697 nan 8.150 nan 0.000 0.413 340 I N 2.083 122.506 120.570 -0.245 0.000 2.406 340 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 340 I C -0.329 175.596 176.117 -0.320 0.000 0.999 340 I CA -0.349 60.678 61.300 -0.456 0.000 1.124 340 I CB 1.678 39.228 38.000 -0.750 0.000 1.289 340 I HN 0.750 nan 8.210 nan 0.000 0.441 341 M N 5.457 124.882 119.600 -0.291 0.000 2.209 341 M HA 0.655 5.135 4.480 -0.000 0.000 0.355 341 M C -0.376 175.776 176.300 -0.246 0.000 1.171 341 M CA -0.145 55.024 55.300 -0.218 0.000 1.069 341 M CB 1.315 33.822 32.600 -0.154 0.000 1.622 341 M HN 0.732 nan 8.290 nan 0.000 0.459 342 G N 4.203 112.893 108.800 -0.184 0.000 2.696 342 G HA2 0.676 4.635 3.960 -0.000 0.000 0.295 342 G HA3 0.676 4.635 3.960 -0.000 0.000 0.295 342 G C -2.056 172.761 174.900 -0.139 0.000 1.398 342 G CA -0.553 44.478 45.100 -0.115 0.000 0.920 342 G HN 0.633 nan 8.290 nan 0.000 0.492 343 F N 0.383 120.472 119.950 0.232 0.000 2.443 343 F HA 0.536 5.063 4.527 -0.000 0.000 0.335 343 F C 0.552 176.451 175.800 0.165 0.000 1.104 343 F CA -0.759 57.373 58.000 0.220 0.000 1.013 343 F CB 2.286 41.440 39.000 0.257 0.000 1.136 343 F HN 0.046 nan 8.300 nan 0.000 0.470 344 I N 5.122 125.890 120.570 0.330 0.000 2.307 344 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 344 I C -0.706 175.491 176.117 0.134 0.000 1.021 344 I CA -0.320 61.090 61.300 0.183 0.000 1.224 344 I CB 0.755 38.834 38.000 0.132 0.000 1.376 344 I HN 0.380 nan 8.210 nan 0.000 0.470 345 L N 6.097 127.363 121.223 0.071 0.000 2.344 345 L HA 0.711 5.051 4.340 -0.000 0.000 0.272 345 L C 1.087 177.909 176.870 -0.081 0.000 1.035 345 L CA -0.178 54.657 54.840 -0.008 0.000 0.807 345 L CB 1.361 43.417 42.059 -0.006 0.000 1.237 345 L HN 0.833 nan 8.230 nan 0.000 0.442 346 A N 1.673 124.436 122.820 -0.095 0.000 5.476 346 A HA -0.372 3.948 4.320 -0.000 0.000 0.327 346 A C 1.734 179.287 177.584 -0.052 0.000 1.778 346 A CA 1.645 53.632 52.037 -0.083 0.000 0.721 346 A CB -1.645 17.308 19.000 -0.080 0.000 1.388 346 A HN 1.125 nan 8.150 nan 0.000 0.397 347 H N 0.729 119.780 119.070 -0.032 0.000 2.460 347 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 347 H C 1.700 177.038 175.328 0.017 0.000 1.103 347 H CA 1.974 58.022 56.048 -0.000 0.000 1.292 347 H CB -0.304 29.467 29.762 0.015 0.000 1.376 347 H HN 0.714 nan 8.280 nan 0.000 0.531 348 K N 0.560 120.610 120.400 -0.583 0.000 2.167 348 K HA 0.110 4.430 4.320 -0.000 0.000 0.203 348 K C 2.550 179.082 176.600 -0.114 0.000 1.052 348 K CA 0.747 56.815 56.287 -0.365 0.000 0.956 348 K CB 0.078 32.360 32.500 -0.364 0.000 0.735 348 K HN 0.331 nan 8.250 nan 0.000 0.451 349 A N 1.448 124.227 122.820 -0.068 0.000 2.019 349 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 349 A C 1.931 179.525 177.584 0.017 0.000 1.164 349 A CA 1.197 53.236 52.037 0.004 0.000 0.644 349 A CB -0.245 18.771 19.000 0.027 0.000 0.805 349 A HN 0.200 nan 8.150 nan 0.000 0.449 350 R N -0.634 119.874 120.500 0.013 0.000 2.127 350 R HA 0.034 4.374 4.340 -0.000 0.000 0.217 350 R C 2.265 178.585 176.300 0.033 0.000 1.074 350 R CA 1.196 57.315 56.100 0.032 0.000 0.991 350 R CB -0.170 30.159 30.300 0.049 0.000 0.895 350 R HN 0.470 nan 8.270 nan 0.000 0.450 351 K N 1.130 121.547 120.400 0.030 0.000 2.062 351 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 351 K C 1.598 178.213 176.600 0.024 0.000 1.051 351 K CA 1.102 57.411 56.287 0.036 0.000 0.941 351 K CB 0.163 32.691 32.500 0.048 0.000 0.719 351 K HN 0.167 nan 8.250 nan 0.000 0.440 352 L N 0.129 121.361 121.223 0.016 0.000 2.567 352 L HA 0.131 4.471 4.340 -0.000 0.000 0.225 352 L C 2.161 179.048 176.870 0.028 0.000 1.119 352 L CA 0.179 55.030 54.840 0.018 0.000 0.871 352 L CB -0.060 42.008 42.059 0.014 0.000 1.036 352 L HN 0.112 nan 8.230 nan 0.000 0.459 353 A N 0.365 123.203 122.820 0.031 0.000 2.121 353 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 353 A C 2.373 179.973 177.584 0.027 0.000 1.154 353 A CA 0.811 52.867 52.037 0.033 0.000 0.679 353 A CB -0.302 18.717 19.000 0.032 0.000 0.795 353 A HN 0.301 nan 8.150 nan 0.000 0.458 354 R N -0.514 120.001 120.500 0.024 0.000 2.096 354 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 354 R C 0.324 176.635 176.300 0.018 0.000 1.127 354 R CA 0.453 56.565 56.100 0.020 0.000 0.968 354 R CB -0.510 29.802 30.300 0.019 0.000 0.861 354 R HN 0.455 nan 8.270 nan 0.000 0.440 355 L N 0.560 121.794 121.223 0.019 0.000 2.475 355 L HA 0.071 4.411 4.340 -0.000 0.000 0.250 355 L C 0.985 177.868 176.870 0.021 0.000 1.224 355 L CA -0.300 54.549 54.840 0.015 0.000 0.821 355 L CB 0.266 42.331 42.059 0.010 0.000 1.141 355 L HN 0.144 nan 8.230 nan 0.000 0.494 356 T N -3.111 111.454 114.554 0.017 0.000 2.874 356 T HA 0.157 4.507 4.350 -0.000 0.000 0.281 356 T C 0.865 175.588 174.700 0.038 0.000 0.994 356 T CA -0.825 61.291 62.100 0.025 0.000 1.015 356 T CB 1.475 70.354 68.868 0.019 0.000 1.028 356 T HN 0.620 nan 8.240 nan 0.000 0.523 357 K N 0.369 120.807 120.400 0.063 0.000 2.077 357 K HA -0.275 4.045 4.320 -0.000 0.000 0.213 357 K C 1.888 178.518 176.600 0.050 0.000 1.051 357 K CA 2.228 58.586 56.287 0.119 0.000 0.929 357 K CB -0.198 32.384 32.500 0.137 0.000 0.715 357 K HN 0.693 nan 8.250 nan 0.000 0.451 358 E N 0.405 120.609 120.200 0.007 0.000 2.072 358 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 358 E C 1.793 178.341 176.600 -0.086 0.000 0.982 358 E CA 1.334 57.703 56.400 -0.050 0.000 0.803 358 E CB 0.050 29.738 29.700 -0.021 0.000 0.755 358 E HN 0.392 nan 8.360 nan 0.000 0.453 359 E N 0.142 120.313 120.200 -0.049 0.000 2.150 359 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 359 E C 2.074 178.629 176.600 -0.074 0.000 0.985 359 E CA 0.605 56.975 56.400 -0.050 0.000 0.814 359 E CB 0.022 29.707 29.700 -0.023 0.000 0.752 359 E HN 0.110 nan 8.360 nan 0.000 0.466 360 R N 0.461 120.917 120.500 -0.073 0.000 2.062 360 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 360 R C 2.522 178.689 176.300 -0.221 0.000 1.128 360 R CA 0.662 56.711 56.100 -0.085 0.000 0.960 360 R CB -0.389 29.921 30.300 0.016 0.000 0.855 360 R HN 0.201 nan 8.270 nan 0.000 0.432 361 L N 1.393 122.364 121.223 -0.420 0.000 2.021 361 L HA -0.307 4.033 4.340 -0.000 0.000 0.215 361 L C 2.508 179.181 176.870 -0.328 0.000 1.074 361 L CA 1.742 56.195 54.840 -0.645 0.000 0.760 361 L CB -0.267 41.367 42.059 -0.708 0.000 0.889 361 L HN 0.194 nan 8.230 nan 0.000 0.433 362 K N -0.326 119.947 120.400 -0.212 0.000 2.026 362 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 362 K C 2.174 178.696 176.600 -0.129 0.000 1.048 362 K CA 1.371 57.579 56.287 -0.130 0.000 0.929 362 K CB 0.054 32.502 32.500 -0.086 0.000 0.713 362 K HN 0.224 nan 8.250 nan 0.000 0.439 363 K N 0.519 120.837 120.400 -0.136 0.000 2.097 363 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 363 K C 2.136 178.609 176.600 -0.212 0.000 1.050 363 K CA 0.986 57.194 56.287 -0.131 0.000 0.938 363 K CB -0.069 32.373 32.500 -0.098 0.000 0.718 363 K HN 0.241 nan 8.250 nan 0.000 0.442 364 L N 0.341 121.390 121.223 -0.291 0.000 2.056 364 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 364 L C 2.681 179.156 176.870 -0.658 0.000 1.078 364 L CA 1.010 55.520 54.840 -0.550 0.000 0.749 364 L CB -0.664 41.125 42.059 -0.450 0.000 0.901 364 L HN 0.261 nan 8.230 nan 0.000 0.433 365 C N 0.159 119.294 119.300 -0.275 0.000 2.432 365 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 365 C C 2.639 177.619 174.990 -0.016 0.000 1.249 365 C CA 0.578 59.579 59.018 -0.028 0.000 1.725 365 C CB -0.703 27.064 27.740 0.044 0.000 2.028 365 C HN 0.511 nan 8.230 nan 0.000 0.477 366 E N 0.381 120.539 120.200 -0.069 0.000 2.110 366 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 366 E C 1.966 178.535 176.600 -0.052 0.000 0.988 366 E CA 1.019 57.395 56.400 -0.040 0.000 0.804 366 E CB -0.249 29.424 29.700 -0.045 0.000 0.745 366 E HN 0.517 nan 8.360 nan 0.000 0.458 367 L N 0.204 121.349 121.223 -0.130 0.000 1.988 367 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 367 L C 2.011 178.867 176.870 -0.023 0.000 1.071 367 L CA 1.739 56.503 54.840 -0.126 0.000 0.744 367 L CB -0.675 41.259 42.059 -0.209 0.000 0.893 367 L HN 0.191 nan 8.230 nan 0.000 0.433 368 Y N -0.550 119.741 120.300 -0.016 0.000 2.207 368 Y HA -0.277 4.273 4.550 -0.000 0.000 0.287 368 Y C 2.510 178.430 175.900 0.033 0.000 1.156 368 Y CA 0.385 58.483 58.100 -0.004 0.000 1.182 368 Y CB -0.528 37.974 38.460 0.069 0.000 0.979 368 Y HN 0.415 nan 8.280 nan 0.000 0.521 369 A N 0.516 123.455 122.820 0.199 0.000 1.877 369 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 369 A C 2.152 179.784 177.584 0.079 0.000 1.186 369 A CA 1.926 54.042 52.037 0.131 0.000 0.620 369 A CB -0.587 18.461 19.000 0.080 0.000 0.822 369 A HN 0.401 nan 8.150 nan 0.000 0.443 370 K N -0.471 119.946 120.400 0.028 0.000 2.057 370 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 370 K C 1.782 178.346 176.600 -0.060 0.000 1.050 370 K CA 1.510 57.793 56.287 -0.007 0.000 0.935 370 K CB -0.190 32.291 32.500 -0.032 0.000 0.715 370 K HN 0.230 nan 8.250 nan 0.000 0.439 371 V N 1.315 121.140 119.914 -0.148 0.000 2.379 371 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 371 V C 2.099 178.148 176.094 -0.075 0.000 1.044 371 V CA 1.406 63.551 62.300 -0.258 0.000 1.036 371 V CB -0.231 31.417 31.823 -0.291 0.000 0.664 371 V HN 0.307 nan 8.190 nan 0.000 0.453 372 L N 0.450 121.692 121.223 0.031 0.000 2.478 372 L HA 0.239 4.579 4.340 -0.000 0.000 0.223 372 L C 1.555 178.595 176.870 0.284 0.000 1.140 372 L CA 0.751 55.694 54.840 0.171 0.000 0.842 372 L CB -0.766 41.469 42.059 0.292 0.000 0.953 372 L HN 0.546 nan 8.230 nan 0.000 0.452 373 G N 1.345 110.248 108.800 0.170 0.000 2.372 373 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.297 373 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.297 373 G C -0.134 174.851 174.900 0.142 0.000 1.005 373 G CA 0.537 45.724 45.100 0.145 0.000 1.173 373 G HN 0.432 nan 8.290 nan 0.000 0.511 374 S N -0.190 115.582 115.700 0.121 0.000 2.626 374 S HA 0.459 4.929 4.470 -0.000 0.000 0.275 374 S C 0.834 175.397 174.600 -0.061 0.000 1.175 374 S CA -0.602 57.618 58.200 0.034 0.000 0.982 374 S CB 1.765 65.000 63.200 0.059 0.000 1.093 374 S HN 0.265 nan 8.310 nan 0.000 0.472 375 L N 1.507 122.680 121.223 -0.082 0.000 2.197 375 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 375 L C 2.347 179.101 176.870 -0.193 0.000 1.095 375 L CA 1.691 56.473 54.840 -0.096 0.000 0.764 375 L CB -0.339 41.673 42.059 -0.078 0.000 0.897 375 L HN 0.822 nan 8.230 nan 0.000 0.436 376 E N -0.457 119.497 120.200 -0.410 0.000 2.153 376 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 376 E C 2.129 178.368 176.600 -0.602 0.000 0.988 376 E CA 1.110 57.119 56.400 -0.652 0.000 0.811 376 E CB -0.104 28.858 29.700 -1.230 0.000 0.746 376 E HN 0.536 nan 8.360 nan 0.000 0.466 377 A N 0.478 123.008 122.820 -0.483 0.000 2.125 377 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 377 A C 1.826 179.569 177.584 0.266 0.000 1.156 377 A CA 0.774 52.812 52.037 0.002 0.000 0.671 377 A CB -0.365 18.805 19.000 0.283 0.000 0.794 377 A HN 0.191 nan 8.150 nan 0.000 0.459 378 L N -1.138 120.146 121.223 0.102 0.000 2.599 378 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 378 L C 0.453 177.405 176.870 0.136 0.000 1.141 378 L CA 0.344 55.252 54.840 0.112 0.000 0.877 378 L CB -0.101 41.982 42.059 0.040 0.000 1.009 378 L HN 0.304 nan 8.230 nan 0.000 0.447 379 E N 1.189 121.515 120.200 0.209 0.000 3.170 379 E HA 0.193 4.543 4.350 -0.000 0.000 0.212 379 E C -2.266 174.525 176.600 0.320 0.000 1.143 379 E CA -1.753 54.765 56.400 0.197 0.000 1.139 379 E CB 0.859 30.622 29.700 0.106 0.000 1.346 379 E HN 0.056 nan 8.360 nan 0.000 0.432 380 P HA -0.001 nan 4.420 nan 0.000 0.275 380 P C 0.395 177.757 177.300 0.103 0.000 1.227 380 P CA -0.163 62.960 63.100 0.039 0.000 0.781 380 P CB 2.095 33.758 31.700 -0.063 0.000 0.906 381 V N 1.609 121.599 119.914 0.127 0.000 3.307 381 V HA 0.114 4.234 4.120 -0.000 0.000 0.253 381 V C 0.702 176.933 176.094 0.229 0.000 1.149 381 V CA 1.024 63.421 62.300 0.163 0.000 1.112 381 V CB -0.662 31.262 31.823 0.169 0.000 0.777 381 V HN 0.697 nan 8.190 nan 0.000 0.464 382 H N -1.745 117.404 119.070 0.132 0.000 2.935 382 H HA 0.299 4.855 4.556 -0.000 0.000 0.297 382 H C -2.350 173.193 175.328 0.358 0.000 1.423 382 H CA -0.475 55.671 56.048 0.164 0.000 1.161 382 H CB 1.717 31.488 29.762 0.014 0.000 1.841 382 H HN 0.001 nan 8.280 nan 0.000 0.506 383 Y N 1.709 121.685 120.300 -0.540 0.000 2.441 383 Y HA 0.330 4.880 4.550 -0.000 0.000 0.334 383 Y C -1.612 174.091 175.900 -0.329 0.000 1.061 383 Y CA -0.546 57.406 58.100 -0.246 0.000 1.032 383 Y CB 1.622 40.003 38.460 -0.132 0.000 1.266 383 Y HN 0.526 nan 8.280 nan 0.000 0.441 384 E N 4.584 124.429 120.200 -0.592 0.000 2.293 384 E HA 0.374 4.724 4.350 -0.000 0.000 0.270 384 E C -1.459 174.730 176.600 -0.686 0.000 0.879 384 E CA -0.779 55.313 56.400 -0.513 0.000 0.756 384 E CB 2.605 32.237 29.700 -0.113 0.000 1.208 384 E HN 0.773 nan 8.360 nan 0.000 0.428 385 E N 0.705 120.629 120.200 -0.460 0.000 2.366 385 E HA 0.650 5.000 4.350 -0.000 0.000 0.278 385 E C -1.234 175.320 176.600 -0.076 0.000 0.923 385 E CA -1.036 55.213 56.400 -0.252 0.000 0.761 385 E CB 2.404 31.963 29.700 -0.235 0.000 1.231 385 E HN 0.115 nan 8.360 nan 0.000 0.443 386 K N 1.594 122.009 120.400 0.024 0.000 2.443 386 K HA 0.337 4.657 4.320 -0.000 0.000 0.252 386 K C -1.495 175.104 176.600 -0.002 0.000 0.933 386 K CA -0.698 55.562 56.287 -0.045 0.000 0.792 386 K CB 1.549 33.979 32.500 -0.117 0.000 1.185 386 K HN 0.499 nan 8.250 nan 0.000 0.425 387 N N 4.395 123.042 118.700 -0.088 0.000 2.678 387 N HA 0.136 4.876 4.740 -0.000 0.000 0.231 387 N C -0.353 175.128 175.510 -0.048 0.000 1.038 387 N CA -0.515 52.543 53.050 0.014 0.000 0.932 387 N CB 0.166 38.664 38.487 0.020 0.000 1.176 387 N HN 0.672 nan 8.380 nan 0.000 0.511 388 W N 1.925 123.277 121.300 0.086 0.000 2.421 388 W HA -0.069 4.591 4.660 -0.000 0.000 0.270 388 W C 2.023 178.569 176.519 0.045 0.000 1.233 388 W CA 0.111 57.502 57.345 0.076 0.000 1.226 388 W CB -0.426 29.093 29.460 0.098 0.000 1.121 388 W HN 0.552 nan 8.180 nan 0.000 0.579 389 C N 0.606 120.023 119.300 0.195 0.000 2.401 389 C HA -0.203 4.257 4.460 -0.000 0.000 0.286 389 C C 2.236 177.261 174.990 0.058 0.000 1.332 389 C CA 1.652 60.736 59.018 0.109 0.000 1.795 389 C CB -1.567 26.219 27.740 0.076 0.000 1.922 389 C HN 0.505 nan 8.230 nan 0.000 0.520 390 E N 0.319 120.533 120.200 0.023 0.000 2.481 390 E HA 0.065 4.415 4.350 -0.000 0.000 0.198 390 E C -0.214 176.369 176.600 -0.029 0.000 1.027 390 E CA 0.049 56.441 56.400 -0.014 0.000 0.900 390 E CB -0.114 29.567 29.700 -0.032 0.000 0.993 390 E HN 0.493 nan 8.360 nan 0.000 0.482 391 E N 2.192 122.392 120.200 -0.000 0.000 2.180 391 E HA -0.002 4.348 4.350 -0.000 0.000 0.283 391 E C 0.443 177.045 176.600 0.002 0.000 1.061 391 E CA 0.018 56.423 56.400 0.009 0.000 0.861 391 E CB 1.689 31.437 29.700 0.081 0.000 1.056 391 E HN 0.344 nan 8.360 nan 0.000 0.407 392 Q N 3.077 122.827 119.800 -0.084 0.000 2.046 392 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 392 Q C 0.370 176.178 176.000 -0.320 0.000 0.975 392 Q CA 1.444 57.087 55.803 -0.266 0.000 0.836 392 Q CB 0.074 28.530 28.738 -0.471 0.000 0.896 392 Q HN 0.586 nan 8.270 nan 0.000 0.428 393 Y N -0.367 119.960 120.300 0.045 0.000 2.547 393 Y HA 0.193 4.743 4.550 -0.000 0.000 0.325 393 Y C 1.240 177.199 175.900 0.098 0.000 1.165 393 Y CA -0.219 57.916 58.100 0.059 0.000 1.300 393 Y CB 0.595 39.080 38.460 0.042 0.000 1.126 393 Y HN 0.066 nan 8.280 nan 0.000 0.513 394 S N -1.953 113.857 115.700 0.183 0.000 3.265 394 S HA 0.309 4.779 4.470 -0.000 0.000 0.259 394 S C 1.730 176.415 174.600 0.142 0.000 1.089 394 S CA 0.494 58.821 58.200 0.211 0.000 0.811 394 S CB 0.500 63.914 63.200 0.356 0.000 0.858 394 S HN 0.520 nan 8.310 nan 0.000 0.452 395 G N 0.930 109.795 108.800 0.107 0.000 2.241 395 G HA2 0.063 4.023 3.960 -0.000 0.000 0.244 395 G HA3 0.063 4.023 3.960 -0.000 0.000 0.244 395 G C 0.568 175.518 174.900 0.083 0.000 0.998 395 G CA 0.223 45.357 45.100 0.057 0.000 0.621 395 G HN 1.444 nan 8.290 nan 0.000 0.519 396 G N -2.269 106.621 108.800 0.149 0.000 2.351 396 G HA2 0.530 4.490 3.960 -0.000 0.000 0.279 396 G HA3 0.530 4.490 3.960 -0.000 0.000 0.279 396 G C -1.098 173.892 174.900 0.151 0.000 1.297 396 G CA 0.368 45.562 45.100 0.156 0.000 0.886 396 G HN 1.514 nan 8.290 nan 0.000 0.493 397 C N -1.593 117.738 119.300 0.051 0.000 3.307 397 C HA 0.574 5.034 4.460 -0.000 0.000 0.333 397 C C 0.732 175.573 174.990 -0.249 0.000 1.291 397 C CA -0.670 58.306 59.018 -0.069 0.000 1.273 397 C CB 0.642 28.256 27.740 -0.210 0.000 1.580 397 C HN 0.748 nan 8.230 nan 0.000 0.481 398 Y N 0.698 120.929 120.300 -0.115 0.000 2.337 398 Y HA 0.231 4.781 4.550 -0.000 0.000 0.293 398 Y C 1.585 177.451 175.900 -0.056 0.000 1.123 398 Y CA 1.261 59.267 58.100 -0.156 0.000 1.201 398 Y CB -0.434 37.904 38.460 -0.204 0.000 1.011 398 Y HN 0.692 nan 8.280 nan 0.000 0.545 399 T N -1.930 112.712 114.554 0.147 0.000 2.647 399 T HA 0.402 4.752 4.350 -0.000 0.000 0.295 399 T C -0.659 174.150 174.700 0.183 0.000 1.126 399 T CA -0.652 61.572 62.100 0.207 0.000 1.040 399 T CB 1.211 70.286 68.868 0.345 0.000 1.472 399 T HN -0.129 nan 8.240 nan 0.000 0.500 400 T N 2.089 116.776 114.554 0.221 0.000 2.845 400 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 400 T C -1.155 173.584 174.700 0.065 0.000 0.980 400 T CA -0.099 62.049 62.100 0.080 0.000 1.071 400 T CB -0.062 68.834 68.868 0.047 0.000 0.941 400 T HN 0.492 nan 8.240 nan 0.000 0.487 401 Y N 0.922 121.015 120.300 -0.344 0.000 2.524 401 Y HA 0.806 5.356 4.550 -0.000 0.000 0.344 401 Y C -1.543 173.867 175.900 -0.817 0.000 1.012 401 Y CA -2.061 55.502 58.100 -0.895 0.000 1.068 401 Y CB 0.843 38.883 38.460 -0.701 0.000 1.249 401 Y HN 0.390 nan 8.280 nan 0.000 0.468 402 F N 3.575 122.773 119.950 -1.255 0.000 2.411 402 F HA 0.574 5.101 4.527 -0.000 0.000 0.352 402 F C -2.281 173.384 175.800 -0.224 0.000 1.123 402 F CA -2.885 54.724 58.000 -0.650 0.000 1.044 402 F CB 1.420 40.108 39.000 -0.520 0.000 1.135 402 F HN 0.353 nan 8.300 nan 0.000 0.461 403 P HA 0.100 nan 4.420 nan 0.000 0.271 403 P C -2.522 174.859 177.300 0.136 0.000 1.233 403 P CA -1.128 62.025 63.100 0.089 0.000 0.789 403 P CB -0.240 31.455 31.700 -0.008 0.000 0.951 404 P HA -0.080 nan 4.420 nan 0.000 0.264 404 P C 0.955 178.337 177.300 0.136 0.000 1.179 404 P CA 1.341 64.534 63.100 0.154 0.000 0.763 404 P CB -0.091 31.684 31.700 0.125 0.000 0.806 405 G N 2.483 111.378 108.800 0.158 0.000 2.205 405 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.261 405 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.261 405 G C 0.780 175.785 174.900 0.176 0.000 0.980 405 G CA 0.135 45.320 45.100 0.142 0.000 0.632 405 G HN 0.469 nan 8.290 nan 0.000 0.533 406 I N -0.106 120.593 120.570 0.214 0.000 2.867 406 I HA 0.203 4.373 4.170 -0.000 0.000 0.265 406 I C 2.541 178.888 176.117 0.383 0.000 1.162 406 I CA 0.978 62.447 61.300 0.282 0.000 1.471 406 I CB -0.908 37.171 38.000 0.131 0.000 1.123 406 I HN 0.267 nan 8.210 nan 0.000 0.440 407 L N 1.452 122.894 121.223 0.364 0.000 1.994 407 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 407 L C 2.675 179.629 176.870 0.140 0.000 1.071 407 L CA 2.662 57.621 54.840 0.199 0.000 0.745 407 L CB -1.017 41.059 42.059 0.029 0.000 0.892 407 L HN 0.391 nan 8.230 nan 0.000 0.431 408 T N -3.682 110.960 114.554 0.147 0.000 2.746 408 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 408 T C 1.833 176.487 174.700 -0.076 0.000 1.039 408 T CA 1.273 63.424 62.100 0.086 0.000 1.142 408 T CB -0.427 68.499 68.868 0.097 0.000 0.866 408 T HN 0.373 nan 8.240 nan 0.000 0.444 409 Q N 0.120 119.888 119.800 -0.053 0.000 2.096 409 Q HA 0.090 4.430 4.340 -0.000 0.000 0.197 409 Q C 1.378 177.091 176.000 -0.478 0.000 0.964 409 Q CA 1.303 56.956 55.803 -0.250 0.000 0.838 409 Q CB -0.142 28.481 28.738 -0.191 0.000 0.906 409 Q HN 0.766 nan 8.270 nan 0.000 0.444 410 Y N -0.950 119.279 120.300 -0.118 0.000 2.481 410 Y HA 0.261 4.811 4.550 -0.000 0.000 0.247 410 Y C 1.953 177.736 175.900 -0.196 0.000 1.151 410 Y CA 0.034 58.049 58.100 -0.141 0.000 1.238 410 Y CB 0.189 38.597 38.460 -0.086 0.000 1.179 410 Y HN 0.096 nan 8.280 nan 0.000 0.524 411 G N 1.741 110.422 108.800 -0.199 0.000 2.553 411 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 411 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 411 G C 1.719 176.178 174.900 -0.735 0.000 1.195 411 G CA 1.083 45.923 45.100 -0.432 0.000 0.779 411 G HN 0.336 nan 8.290 nan 0.000 0.577 412 R N 0.831 120.660 120.500 -1.119 0.000 2.339 412 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 412 R C 1.715 177.849 176.300 -0.278 0.000 1.018 412 R CA 0.597 56.246 56.100 -0.752 0.000 1.036 412 R CB -0.682 29.224 30.300 -0.658 0.000 0.899 412 R HN 0.347 nan 8.270 nan 0.000 0.473 413 V N 1.199 120.974 119.914 -0.232 0.000 2.788 413 V HA -0.089 4.031 4.120 -0.000 0.000 0.251 413 V C 2.413 178.419 176.094 -0.146 0.000 1.068 413 V CA 0.824 63.035 62.300 -0.148 0.000 1.090 413 V CB -0.369 31.393 31.823 -0.102 0.000 0.710 413 V HN 0.179 nan 8.190 nan 0.000 0.467 414 L N 0.698 121.872 121.223 -0.083 0.000 2.046 414 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 414 L C 2.393 179.214 176.870 -0.081 0.000 1.077 414 L CA 1.987 56.782 54.840 -0.076 0.000 0.747 414 L CB -0.287 41.831 42.059 0.099 0.000 0.896 414 L HN 0.431 nan 8.230 nan 0.000 0.432 415 R N -0.467 120.082 120.500 0.081 0.000 2.577 415 R HA 0.152 4.492 4.340 -0.000 0.000 0.344 415 R C 0.385 176.826 176.300 0.235 0.000 1.037 415 R CA -0.235 55.995 56.100 0.216 0.000 1.102 415 R CB 0.045 30.522 30.300 0.296 0.000 1.313 415 R HN 0.194 nan 8.270 nan 0.000 0.561 416 Q N 2.603 122.479 119.800 0.128 0.000 2.296 416 Q HA 0.240 4.580 4.340 -0.000 0.000 0.263 416 Q C -2.143 173.963 176.000 0.178 0.000 1.026 416 Q CA -2.217 53.653 55.803 0.112 0.000 0.912 416 Q CB 1.085 29.837 28.738 0.024 0.000 1.198 416 Q HN 0.088 nan 8.270 nan 0.000 0.407 417 P HA -0.078 nan 4.420 nan 0.000 0.266 417 P C -1.226 176.049 177.300 -0.041 0.000 1.195 417 P CA 0.069 63.077 63.100 -0.153 0.000 0.768 417 P CB 0.596 31.980 31.700 -0.527 0.000 0.838 418 V N 3.655 123.552 119.914 -0.027 0.000 2.257 418 V HA 0.137 4.257 4.120 -0.000 0.000 0.269 418 V C 0.712 176.763 176.094 -0.072 0.000 1.040 418 V CA 0.201 62.496 62.300 -0.008 0.000 0.813 418 V CB 0.015 31.878 31.823 0.066 0.000 1.065 418 V HN 0.777 nan 8.190 nan 0.000 0.457 419 D N 3.788 124.148 120.400 -0.067 0.000 4.508 419 D HA -0.294 4.346 4.640 -0.000 0.000 0.178 419 D C 1.427 177.717 176.300 -0.016 0.000 0.644 419 D CA 2.417 56.400 54.000 -0.028 0.000 1.244 419 D CB -0.289 40.508 40.800 -0.004 0.000 0.727 419 D HN 0.551 nan 8.370 nan 0.000 0.495 420 R N -0.073 120.440 120.500 0.022 0.000 2.437 420 R HA 0.440 4.780 4.340 -0.000 0.000 0.257 420 R C -0.076 176.344 176.300 0.199 0.000 0.927 420 R CA -0.138 56.072 56.100 0.183 0.000 1.078 420 R CB 0.610 30.929 30.300 0.032 0.000 1.161 420 R HN 0.299 nan 8.270 nan 0.000 0.529 421 I N 1.625 122.160 120.570 -0.059 0.000 2.352 421 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 421 I C -0.550 175.237 176.117 -0.550 0.000 1.036 421 I CA -0.350 60.824 61.300 -0.210 0.000 1.336 421 I CB 0.469 38.312 38.000 -0.262 0.000 1.407 421 I HN -0.075 nan 8.210 nan 0.000 0.497 422 Y N 5.415 125.464 120.300 -0.418 0.000 2.528 422 Y HA 0.525 5.075 4.550 -0.000 0.000 0.335 422 Y C -0.491 175.079 175.900 -0.551 0.000 1.093 422 Y CA -0.798 57.084 58.100 -0.363 0.000 1.134 422 Y CB 1.613 39.997 38.460 -0.126 0.000 1.253 422 Y HN 0.282 nan 8.280 nan 0.000 0.478 423 F N 1.278 121.337 119.950 0.182 0.000 2.403 423 F HA 0.696 5.223 4.527 -0.000 0.000 0.355 423 F C 0.415 176.292 175.800 0.128 0.000 1.119 423 F CA -0.560 57.519 58.000 0.132 0.000 1.007 423 F CB 1.072 40.131 39.000 0.099 0.000 1.194 423 F HN 0.616 nan 8.300 nan 0.000 0.443 424 A N 2.482 125.457 122.820 0.259 0.000 3.538 424 A HA 0.950 5.270 4.320 -0.000 0.000 0.174 424 A C 0.478 178.193 177.584 0.219 0.000 1.733 424 A CA -0.305 51.849 52.037 0.194 0.000 0.888 424 A CB -0.205 18.866 19.000 0.119 0.000 1.804 424 A HN 1.424 nan 8.150 nan 0.000 0.626 425 G N -2.671 106.236 108.800 0.178 0.000 2.705 425 G HA2 0.081 4.040 3.960 -0.000 0.000 0.686 425 G HA3 0.081 4.040 3.960 -0.000 0.000 0.686 425 G C 0.470 175.496 174.900 0.210 0.000 1.285 425 G CA 0.686 45.897 45.100 0.184 0.000 0.800 425 G HN 1.682 nan 8.290 nan 0.000 0.611 426 T N -0.492 114.190 114.554 0.213 0.000 2.962 426 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 426 T C 2.041 176.932 174.700 0.319 0.000 1.088 426 T CA 2.123 64.372 62.100 0.249 0.000 1.127 426 T CB -0.297 68.713 68.868 0.235 0.000 0.883 426 T HN 0.653 nan 8.240 nan 0.000 0.493 427 E N 0.944 121.338 120.200 0.324 0.000 2.409 427 E HA -0.069 4.281 4.350 -0.000 0.000 0.198 427 E C 1.918 178.768 176.600 0.416 0.000 1.024 427 E CA 1.371 58.016 56.400 0.408 0.000 0.861 427 E CB -0.572 29.342 29.700 0.356 0.000 0.788 427 E HN 0.745 nan 8.360 nan 0.000 0.521 428 T N -2.043 112.719 114.554 0.347 0.000 3.086 428 T HA 0.478 4.828 4.350 -0.000 0.000 0.250 428 T C 1.007 175.933 174.700 0.377 0.000 1.074 428 T CA 0.113 62.420 62.100 0.345 0.000 0.988 428 T CB 0.305 69.350 68.868 0.296 0.000 0.988 428 T HN 0.188 nan 8.240 nan 0.000 0.530 429 A N 0.867 123.910 122.820 0.372 0.000 2.281 429 A HA 0.583 4.903 4.320 -0.000 0.000 0.271 429 A C 1.323 179.162 177.584 0.426 0.000 1.196 429 A CA 0.128 52.388 52.037 0.371 0.000 0.807 429 A CB -0.040 19.146 19.000 0.310 0.000 1.138 429 A HN 0.268 nan 8.150 nan 0.000 0.506 430 T N -1.694 113.079 114.554 0.366 0.000 3.028 430 T HA 0.206 4.556 4.350 -0.000 0.000 0.262 430 T C -0.208 174.599 174.700 0.179 0.000 0.916 430 T CA 0.169 62.456 62.100 0.311 0.000 0.873 430 T CB -0.162 68.892 68.868 0.311 0.000 1.232 430 T HN 0.680 nan 8.240 nan 0.000 0.529 431 H N -1.079 118.014 119.070 0.039 0.000 2.840 431 H HA 0.226 4.782 4.556 -0.000 0.000 0.340 431 H C -0.858 174.483 175.328 0.022 0.000 1.004 431 H CA -0.720 55.277 56.048 -0.084 0.000 1.288 431 H CB 0.873 30.648 29.762 0.022 0.000 1.607 431 H HN 0.321 nan 8.280 nan 0.000 0.522 432 W N 2.235 123.240 121.300 -0.492 0.000 5.538 432 W HA -0.246 4.414 4.660 -0.000 0.000 0.377 432 W C 0.482 176.935 176.519 -0.109 0.000 1.406 432 W CA 0.958 58.022 57.345 -0.469 0.000 0.940 432 W CB -1.559 27.578 29.460 -0.539 0.000 2.536 432 W HN 0.378 nan 8.180 nan 0.000 1.504 433 S N 0.510 116.233 115.700 0.038 0.000 2.560 433 S HA 0.432 4.902 4.470 -0.000 0.000 0.284 433 S C 1.340 176.130 174.600 0.316 0.000 1.327 433 S CA 1.505 59.840 58.200 0.225 0.000 1.055 433 S CB 1.004 64.389 63.200 0.309 0.000 0.868 433 S HN 1.354 nan 8.310 nan 0.000 0.506 434 G N 2.802 111.849 108.800 0.412 0.000 2.218 434 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 434 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 434 G C -0.267 174.729 174.900 0.160 0.000 0.994 434 G CA 0.092 45.432 45.100 0.400 0.000 0.637 434 G HN 0.683 nan 8.290 nan 0.000 0.505 435 Y N -0.412 119.992 120.300 0.173 0.000 2.621 435 Y HA 0.703 5.253 4.550 -0.000 0.000 0.334 435 Y C 1.957 177.901 175.900 0.072 0.000 1.074 435 Y CA -0.786 57.370 58.100 0.093 0.000 1.149 435 Y CB 0.942 39.444 38.460 0.069 0.000 1.302 435 Y HN -0.029 nan 8.280 nan 0.000 0.501 436 M N -0.193 119.520 119.600 0.189 0.000 2.108 436 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 436 M C 1.838 178.210 176.300 0.120 0.000 1.066 436 M CA 2.003 57.380 55.300 0.128 0.000 1.107 436 M CB -0.274 32.394 32.600 0.113 0.000 1.356 436 M HN 0.801 nan 8.290 nan 0.000 0.406 437 E N 0.806 121.058 120.200 0.087 0.000 2.035 437 E HA -0.181 4.169 4.350 -0.000 0.000 0.204 437 E C 1.970 178.661 176.600 0.151 0.000 1.025 437 E CA 2.287 58.723 56.400 0.059 0.000 0.835 437 E CB -0.831 28.811 29.700 -0.098 0.000 0.764 437 E HN 0.428 nan 8.360 nan 0.000 0.457 438 G N 0.168 109.100 108.800 0.221 0.000 2.505 438 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 438 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 438 G C 1.736 176.755 174.900 0.199 0.000 1.145 438 G CA 1.744 46.987 45.100 0.239 0.000 0.761 438 G HN 0.522 nan 8.290 nan 0.000 0.571 439 A N -0.168 122.757 122.820 0.175 0.000 1.933 439 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 439 A C 2.631 180.282 177.584 0.113 0.000 1.175 439 A CA 1.911 54.034 52.037 0.144 0.000 0.628 439 A CB -0.511 18.563 19.000 0.123 0.000 0.814 439 A HN 0.298 nan 8.150 nan 0.000 0.444 440 V N -0.091 119.884 119.914 0.102 0.000 2.270 440 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 440 V C 2.489 178.632 176.094 0.081 0.000 1.043 440 V CA 2.136 64.482 62.300 0.078 0.000 1.014 440 V CB -0.805 31.058 31.823 0.067 0.000 0.645 440 V HN 0.700 nan 8.190 nan 0.000 0.447 441 E N 0.291 120.561 120.200 0.115 0.000 2.068 441 E HA -0.348 4.002 4.350 -0.000 0.000 0.207 441 E C 2.227 178.874 176.600 0.077 0.000 1.032 441 E CA 2.118 58.593 56.400 0.124 0.000 0.839 441 E CB -0.227 29.595 29.700 0.203 0.000 0.758 441 E HN 0.547 nan 8.360 nan 0.000 0.457 442 A N 0.530 123.416 122.820 0.110 0.000 1.898 442 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 442 A C 2.442 180.052 177.584 0.042 0.000 1.181 442 A CA 1.863 53.954 52.037 0.090 0.000 0.620 442 A CB -1.127 17.968 19.000 0.158 0.000 0.819 442 A HN 0.461 nan 8.150 nan 0.000 0.442 443 G N -0.151 108.681 108.800 0.053 0.000 2.446 443 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 443 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 443 G C 1.432 176.325 174.900 -0.011 0.000 1.168 443 G CA 1.061 46.179 45.100 0.030 0.000 0.771 443 G HN 0.677 nan 8.290 nan 0.000 0.551 444 E N -0.135 120.053 120.200 -0.020 0.000 2.107 444 E HA -0.047 4.302 4.350 -0.000 0.000 0.191 444 E C 2.515 179.049 176.600 -0.111 0.000 0.982 444 E CA 0.258 56.629 56.400 -0.049 0.000 0.809 444 E CB -0.158 29.526 29.700 -0.026 0.000 0.756 444 E HN 0.318 nan 8.360 nan 0.000 0.459 445 R N 1.358 121.758 120.500 -0.166 0.000 2.083 445 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 445 R C 2.302 178.443 176.300 -0.265 0.000 1.137 445 R CA 1.470 57.369 56.100 -0.335 0.000 0.951 445 R CB -0.330 29.602 30.300 -0.613 0.000 0.851 445 R HN 0.147 nan 8.270 nan 0.000 0.434 446 A N 0.971 123.700 122.820 -0.152 0.000 1.892 446 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 446 A C 2.435 179.923 177.584 -0.160 0.000 1.188 446 A CA 2.161 54.145 52.037 -0.088 0.000 0.631 446 A CB -0.910 18.093 19.000 0.004 0.000 0.822 446 A HN 0.583 nan 8.150 nan 0.000 0.447 447 A N -0.464 122.276 122.820 -0.133 0.000 1.883 447 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 447 A C 2.252 179.720 177.584 -0.194 0.000 1.186 447 A CA 1.650 53.598 52.037 -0.149 0.000 0.624 447 A CB -0.508 18.437 19.000 -0.091 0.000 0.822 447 A HN 0.550 nan 8.150 nan 0.000 0.444 448 R N -0.594 119.801 120.500 -0.175 0.000 2.189 448 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 448 R C 2.024 178.212 176.300 -0.187 0.000 1.092 448 R CA 1.118 57.121 56.100 -0.163 0.000 0.989 448 R CB -0.238 29.975 30.300 -0.144 0.000 0.876 448 R HN 0.690 nan 8.270 nan 0.000 0.457 449 E N 0.711 120.764 120.200 -0.245 0.000 2.058 449 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 449 E C 1.970 178.306 176.600 -0.440 0.000 0.997 449 E CA 1.174 57.421 56.400 -0.255 0.000 0.801 449 E CB -0.063 29.522 29.700 -0.192 0.000 0.746 449 E HN 0.309 nan 8.360 nan 0.000 0.450 450 I N 1.034 121.206 120.570 -0.664 0.000 2.252 450 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 450 I C 2.391 178.190 176.117 -0.529 0.000 1.102 450 I CA 0.772 61.570 61.300 -0.837 0.000 1.385 450 I CB -0.205 37.323 38.000 -0.787 0.000 1.064 450 I HN 0.148 nan 8.210 nan 0.000 0.414 451 L N 0.132 121.167 121.223 -0.314 0.000 2.021 451 L HA -0.328 4.012 4.340 -0.000 0.000 0.215 451 L C 2.764 179.551 176.870 -0.138 0.000 1.074 451 L CA 2.119 56.847 54.840 -0.185 0.000 0.760 451 L CB -1.031 40.960 42.059 -0.114 0.000 0.889 451 L HN 0.403 nan 8.230 nan 0.000 0.433 452 H N -0.233 118.725 119.070 -0.188 0.000 2.421 452 H HA -0.107 4.449 4.556 -0.000 0.000 0.298 452 H C 2.055 177.322 175.328 -0.102 0.000 1.087 452 H CA 1.448 57.428 56.048 -0.114 0.000 1.330 452 H CB 0.122 29.837 29.762 -0.079 0.000 1.388 452 H HN 0.307 nan 8.280 nan 0.000 0.526 453 A N 0.493 123.171 122.820 -0.238 0.000 1.969 453 A HA -0.089 4.230 4.320 -0.000 0.000 0.218 453 A C 2.182 179.664 177.584 -0.170 0.000 1.169 453 A CA 1.496 53.410 52.037 -0.205 0.000 0.635 453 A CB -0.497 18.400 19.000 -0.172 0.000 0.810 453 A HN 0.551 nan 8.150 nan 0.000 0.445 454 M N -0.733 118.751 119.600 -0.193 0.000 2.618 454 M HA 0.152 4.632 4.480 -0.000 0.000 0.240 454 M C 1.182 177.426 176.300 -0.093 0.000 1.123 454 M CA 0.647 55.899 55.300 -0.079 0.000 1.060 454 M CB -0.035 32.525 32.600 -0.067 0.000 1.535 454 M HN 0.568 nan 8.290 nan 0.000 0.507 455 G N 1.679 110.376 108.800 -0.172 0.000 2.273 455 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 455 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 455 G C 0.693 175.544 174.900 -0.082 0.000 1.047 455 G CA 0.379 45.389 45.100 -0.150 0.000 0.869 455 G HN 0.516 nan 8.290 nan 0.000 0.502 456 K N -0.987 119.368 120.400 -0.074 0.000 2.354 456 K HA 0.352 4.672 4.320 -0.000 0.000 0.194 456 K C 1.081 177.672 176.600 -0.016 0.000 1.045 456 K CA 1.144 57.406 56.287 -0.041 0.000 1.026 456 K CB 0.506 32.977 32.500 -0.048 0.000 0.866 456 K HN 0.791 nan 8.250 nan 0.000 0.530 457 I N -2.092 118.483 120.570 0.008 0.000 2.913 457 I HA 0.414 4.584 4.170 -0.000 0.000 0.302 457 I C -3.005 173.197 176.117 0.141 0.000 1.246 457 I CA -2.830 58.500 61.300 0.050 0.000 1.010 457 I CB 2.168 40.188 38.000 0.033 0.000 1.259 457 I HN -0.238 nan 8.210 nan 0.000 0.434 458 P HA 0.092 nan 4.420 nan 0.000 0.274 458 P C 0.197 177.587 177.300 0.150 0.000 1.246 458 P CA -0.033 63.178 63.100 0.184 0.000 0.795 458 P CB 1.111 32.865 31.700 0.092 0.000 1.006 459 E N 0.702 120.916 120.200 0.023 0.000 2.058 459 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 459 E C 1.289 177.848 176.600 -0.069 0.000 0.997 459 E CA 1.669 57.895 56.400 -0.290 0.000 0.801 459 E CB -0.497 29.057 29.700 -0.243 0.000 0.746 459 E HN 0.450 nan 8.360 nan 0.000 0.450 460 D N 0.358 120.761 120.400 0.004 0.000 3.181 460 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 460 D C 1.338 177.667 176.300 0.049 0.000 1.155 460 D CA 2.108 56.129 54.000 0.034 0.000 0.901 460 D CB -0.056 40.766 40.800 0.037 0.000 0.891 460 D HN 0.312 nan 8.370 nan 0.000 0.498 461 E N -1.654 118.567 120.200 0.034 0.000 2.501 461 E HA 0.207 4.557 4.350 -0.000 0.000 0.201 461 E C 1.669 178.276 176.600 0.012 0.000 1.016 461 E CA -0.277 56.143 56.400 0.034 0.000 0.920 461 E CB 0.360 30.076 29.700 0.027 0.000 1.023 461 E HN 0.411 nan 8.360 nan 0.000 0.474 462 I N -0.298 120.269 120.570 -0.005 0.000 2.233 462 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 462 I C 0.316 176.317 176.117 -0.194 0.000 1.093 462 I CA 0.836 62.064 61.300 -0.119 0.000 1.380 462 I CB 0.088 37.989 38.000 -0.166 0.000 1.067 462 I HN 0.118 nan 8.210 nan 0.000 0.413 463 W N 2.101 123.396 121.300 -0.007 0.000 2.308 463 W HA 0.466 5.126 4.660 -0.000 0.000 0.311 463 W C 0.095 176.615 176.519 0.002 0.000 1.088 463 W CA -0.289 57.060 57.345 0.007 0.000 1.309 463 W CB 0.379 29.844 29.460 0.009 0.000 1.229 463 W HN -0.020 nan 8.180 nan 0.000 0.427 464 Q N 2.113 122.017 119.800 0.173 0.000 2.256 464 Q HA 0.395 4.735 4.340 -0.000 0.000 0.257 464 Q C 0.474 176.543 176.000 0.114 0.000 0.936 464 Q CA -0.462 55.409 55.803 0.114 0.000 0.903 464 Q CB 1.515 30.288 28.738 0.058 0.000 1.263 464 Q HN 0.537 nan 8.270 nan 0.000 0.440 465 S N 1.813 117.561 115.700 0.080 0.000 2.624 465 S HA 0.384 4.854 4.470 -0.000 0.000 0.263 465 S C -0.346 174.283 174.600 0.047 0.000 1.287 465 S CA -0.683 57.550 58.200 0.055 0.000 0.990 465 S CB 1.414 64.629 63.200 0.026 0.000 0.950 465 S HN 0.608 nan 8.310 nan 0.000 0.561 466 E N 0.762 120.986 120.200 0.040 0.000 2.224 466 E HA 0.578 4.928 4.350 -0.000 0.000 0.265 466 E C -2.831 173.788 176.600 0.032 0.000 0.878 466 E CA -2.082 54.343 56.400 0.042 0.000 0.759 466 E CB 1.064 30.800 29.700 0.061 0.000 1.164 466 E HN 0.553 nan 8.360 nan 0.000 0.414 467 P HA 0.071 nan 4.420 nan 0.000 0.268 467 P C -0.764 176.551 177.300 0.025 0.000 1.204 467 P CA -0.158 62.955 63.100 0.021 0.000 0.768 467 P CB 0.531 32.242 31.700 0.019 0.000 0.842 468 E N 2.030 122.243 120.200 0.021 0.000 2.413 468 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 468 E C -0.056 176.555 176.600 0.019 0.000 1.015 468 E CA -0.405 56.009 56.400 0.023 0.000 0.916 468 E CB 0.468 30.179 29.700 0.019 0.000 0.947 468 E HN 0.376 nan 8.360 nan 0.000 0.440 469 S N 2.582 118.293 115.700 0.018 0.000 2.568 469 S HA 0.008 4.478 4.470 -0.000 0.000 0.282 469 S C 0.863 175.469 174.600 0.011 0.000 1.338 469 S CA -0.561 57.648 58.200 0.014 0.000 1.045 469 S CB 1.105 64.310 63.200 0.009 0.000 0.873 469 S HN 0.476 nan 8.310 nan 0.000 0.516 470 V N 3.499 123.421 119.914 0.012 0.000 2.599 470 V HA -0.005 4.115 4.120 -0.000 0.000 0.245 470 V C 1.809 177.909 176.094 0.009 0.000 1.046 470 V CA 1.555 63.861 62.300 0.011 0.000 1.065 470 V CB -0.462 31.368 31.823 0.012 0.000 0.703 470 V HN 0.874 nan 8.190 nan 0.000 0.464 471 D N 0.346 120.753 120.400 0.011 0.000 2.317 471 D HA -0.019 4.621 4.640 -0.000 0.000 0.211 471 D C 0.621 176.921 176.300 -0.001 0.000 0.966 471 D CA 0.986 54.992 54.000 0.009 0.000 0.876 471 D CB 0.590 41.400 40.800 0.017 0.000 0.927 471 D HN 0.402 nan 8.370 nan 0.000 0.519 472 V N 2.968 122.878 119.914 -0.007 0.000 2.405 472 V HA 0.172 4.292 4.120 -0.000 0.000 0.253 472 V C -2.376 173.708 176.094 -0.016 0.000 0.963 472 V CA -1.291 60.996 62.300 -0.022 0.000 1.003 472 V CB 1.057 32.852 31.823 -0.046 0.000 1.251 472 V HN -0.056 nan 8.190 nan 0.000 0.520 473 P HA 0.237 nan 4.420 nan 0.000 0.269 473 P C -0.239 177.060 177.300 -0.002 0.000 1.215 473 P CA 0.202 63.301 63.100 -0.001 0.000 0.780 473 P CB 1.294 32.995 31.700 0.001 0.000 0.898 474 A N 2.502 125.325 122.820 0.005 0.000 2.294 474 A HA 0.240 4.560 4.320 -0.000 0.000 0.316 474 A C 0.303 177.891 177.584 0.006 0.000 1.359 474 A CA -0.407 51.635 52.037 0.009 0.000 0.956 474 A CB -0.228 18.786 19.000 0.025 0.000 1.155 474 A HN 0.423 nan 8.150 nan 0.000 0.544 475 Q N 3.047 122.848 119.800 0.001 0.000 2.286 475 Q HA 0.224 4.564 4.340 -0.000 0.000 0.290 475 Q C -1.953 174.047 176.000 0.001 0.000 1.049 475 Q CA -0.639 55.165 55.803 0.001 0.000 0.923 475 Q CB 0.462 29.199 28.738 -0.002 0.000 1.183 475 Q HN 0.584 nan 8.270 nan 0.000 0.383 476 P HA 0.137 nan 4.420 nan 0.000 0.274 476 P C -0.657 176.638 177.300 -0.007 0.000 1.237 476 P CA -0.303 62.794 63.100 -0.004 0.000 0.793 476 P CB 0.847 32.544 31.700 -0.005 0.000 0.977 477 I N 1.595 122.156 120.570 -0.014 0.000 2.396 477 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 477 I C 1.025 177.131 176.117 -0.018 0.000 0.999 477 I CA 0.060 61.350 61.300 -0.018 0.000 1.310 477 I CB 0.860 38.842 38.000 -0.030 0.000 1.404 477 I HN 0.455 nan 8.210 nan 0.000 0.496 478 T N 1.339 115.886 114.554 -0.012 0.000 2.916 478 T HA 0.770 5.120 4.350 -0.000 0.000 0.292 478 T C -0.228 174.463 174.700 -0.016 0.000 1.055 478 T CA -0.753 61.341 62.100 -0.010 0.000 1.009 478 T CB 2.150 71.019 68.868 0.002 0.000 1.118 478 T HN 0.652 nan 8.240 nan 0.000 0.497 479 T N -1.060 113.483 114.554 -0.019 0.000 2.876 479 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 479 T C -0.018 174.681 174.700 -0.001 0.000 1.014 479 T CA -0.774 61.307 62.100 -0.033 0.000 0.986 479 T CB 1.247 70.072 68.868 -0.072 0.000 1.021 479 T HN 0.667 nan 8.240 nan 0.000 0.458 480 T N 2.701 117.257 114.554 0.005 0.000 2.940 480 T HA 0.122 4.472 4.350 -0.000 0.000 0.309 480 T C 0.888 175.640 174.700 0.086 0.000 1.056 480 T CA -0.227 61.909 62.100 0.060 0.000 1.137 480 T CB 0.046 68.947 68.868 0.055 0.000 0.976 480 T HN 0.607 nan 8.240 nan 0.000 0.547 481 F N 2.471 122.438 119.950 0.027 0.000 2.087 481 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 481 F C 1.930 177.785 175.800 0.091 0.000 1.100 481 F CA 1.611 59.659 58.000 0.079 0.000 1.226 481 F CB -0.324 38.729 39.000 0.089 0.000 0.983 481 F HN 0.510 nan 8.300 nan 0.000 0.479 482 L N -0.008 121.317 121.223 0.170 0.000 2.046 482 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 482 L C 2.448 179.291 176.870 -0.045 0.000 1.077 482 L CA 1.674 56.562 54.840 0.081 0.000 0.747 482 L CB -0.669 41.488 42.059 0.163 0.000 0.896 482 L HN 0.193 nan 8.230 nan 0.000 0.432 483 E N -0.308 119.859 120.200 -0.056 0.000 2.085 483 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 483 E C 2.298 178.766 176.600 -0.221 0.000 0.994 483 E CA 1.194 57.514 56.400 -0.133 0.000 0.801 483 E CB -0.053 29.572 29.700 -0.124 0.000 0.743 483 E HN 0.348 nan 8.360 nan 0.000 0.453 484 R N -0.680 119.637 120.500 -0.305 0.000 2.189 484 R HA -0.063 4.277 4.340 -0.000 0.000 0.218 484 R C 1.519 177.387 176.300 -0.720 0.000 1.074 484 R CA 0.916 56.704 56.100 -0.519 0.000 0.991 484 R CB 0.186 30.098 30.300 -0.647 0.000 0.883 484 R HN 0.258 nan 8.270 nan 0.000 0.457 485 H N -1.501 117.364 119.070 -0.342 0.000 3.241 485 H HA 0.179 4.735 4.556 -0.000 0.000 0.260 485 H C 0.013 175.216 175.328 -0.208 0.000 1.084 485 H CA -0.217 55.627 56.048 -0.340 0.000 1.203 485 H CB 0.484 29.882 29.762 -0.608 0.000 1.524 485 H HN 0.009 nan 8.280 nan 0.000 0.521 486 L N 4.435 125.614 121.223 -0.073 0.000 2.525 486 L HA 0.045 4.385 4.340 -0.000 0.000 0.278 486 L C -1.589 175.241 176.870 -0.066 0.000 1.218 486 L CA -1.302 53.512 54.840 -0.043 0.000 0.878 486 L CB 0.183 42.220 42.059 -0.036 0.000 1.127 486 L HN -0.009 nan 8.230 nan 0.000 0.492 487 P HA 0.053 nan 4.420 nan 0.000 0.270 487 P C -0.568 176.668 177.300 -0.106 0.000 1.223 487 P CA -0.474 62.581 63.100 -0.075 0.000 0.785 487 P CB 0.635 32.295 31.700 -0.067 0.000 0.923 488 S N 0.135 115.757 115.700 -0.130 0.000 2.634 488 S HA 0.127 4.597 4.470 -0.000 0.000 0.261 488 S C 1.491 175.944 174.600 -0.245 0.000 1.271 488 S CA -0.690 57.409 58.200 -0.169 0.000 0.985 488 S CB -0.082 63.018 63.200 -0.167 0.000 0.968 488 S HN 0.215 nan 8.310 nan 0.000 0.568 489 V N 2.477 122.183 119.914 -0.346 0.000 2.261 489 V HA -0.073 4.046 4.120 -0.000 0.000 0.246 489 V C -0.420 175.262 176.094 -0.686 0.000 1.047 489 V CA 1.878 63.895 62.300 -0.472 0.000 1.015 489 V CB -1.830 29.715 31.823 -0.465 0.000 0.642 489 V HN 0.797 nan 8.190 nan 0.000 0.446 490 P HA -0.142 nan 4.420 nan 0.000 0.215 490 P C 1.801 178.893 177.300 -0.346 0.000 1.153 490 P CA 2.107 64.761 63.100 -0.743 0.000 0.853 490 P CB -0.366 31.004 31.700 -0.549 0.000 0.788 491 G N 0.378 109.023 108.800 -0.258 0.000 2.469 491 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 491 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 491 G C 1.586 176.406 174.900 -0.133 0.000 1.136 491 G CA 0.752 45.761 45.100 -0.152 0.000 0.759 491 G HN 0.273 nan 8.290 nan 0.000 0.562 492 L N 0.245 121.372 121.223 -0.160 0.000 2.072 492 L HA 0.200 4.540 4.340 -0.000 0.000 0.205 492 L C 2.655 179.460 176.870 -0.109 0.000 1.079 492 L CA 1.056 55.828 54.840 -0.114 0.000 0.752 492 L CB -0.263 41.732 42.059 -0.107 0.000 0.906 492 L HN 0.162 nan 8.230 nan 0.000 0.436 493 L N -0.493 120.635 121.223 -0.159 0.000 2.263 493 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 493 L C 1.765 178.590 176.870 -0.076 0.000 1.111 493 L CA 0.906 55.675 54.840 -0.119 0.000 0.773 493 L CB -0.470 41.489 42.059 -0.167 0.000 0.906 493 L HN 0.285 nan 8.230 nan 0.000 0.439 494 R N -0.651 119.800 120.500 -0.082 0.000 2.546 494 R HA 0.196 4.536 4.340 -0.000 0.000 0.320 494 R C 1.244 177.521 176.300 -0.039 0.000 1.021 494 R CA 0.067 56.137 56.100 -0.050 0.000 1.088 494 R CB 0.637 30.910 30.300 -0.046 0.000 1.278 494 R HN 0.303 nan 8.270 nan 0.000 0.557 495 L N -0.166 121.032 121.223 -0.041 0.000 2.590 495 L HA 0.228 4.568 4.340 -0.000 0.000 0.227 495 L C 1.155 178.014 176.870 -0.019 0.000 1.099 495 L CA 0.399 55.223 54.840 -0.027 0.000 0.872 495 L CB 0.422 42.465 42.059 -0.026 0.000 1.088 495 L HN -0.016 nan 8.230 nan 0.000 0.479 496 I N -0.912 119.644 120.570 -0.023 0.000 3.883 496 I HA 0.108 4.278 4.170 -0.000 0.000 0.326 496 I C 2.047 178.157 176.117 -0.011 0.000 1.283 496 I CA 0.549 61.840 61.300 -0.014 0.000 1.161 496 I CB 0.288 38.279 38.000 -0.015 0.000 1.012 496 I HN 0.136 nan 8.210 nan 0.000 0.421 497 G N -0.064 108.727 108.800 -0.014 0.000 2.744 497 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.211 497 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.211 497 G C 1.421 176.318 174.900 -0.005 0.000 1.146 497 G CA -0.035 45.061 45.100 -0.007 0.000 0.787 497 G HN 0.275 nan 8.290 nan 0.000 0.534 498 L N 1.033 122.252 121.223 -0.007 0.000 2.478 498 L HA 0.183 4.523 4.340 -0.000 0.000 0.223 498 L C 2.531 179.399 176.870 -0.002 0.000 1.140 498 L CA 1.400 56.238 54.840 -0.004 0.000 0.842 498 L CB -0.541 41.514 42.059 -0.006 0.000 0.953 498 L HN 0.067 nan 8.230 nan 0.000 0.452 499 T N -0.778 113.775 114.554 -0.002 0.000 2.668 499 T HA -0.031 4.319 4.350 -0.000 0.000 0.262 499 T C 0.896 175.596 174.700 0.001 0.000 1.045 499 T CA 1.632 63.731 62.100 -0.000 0.000 1.152 499 T CB -0.241 68.627 68.868 -0.000 0.000 0.864 499 T HN 0.460 nan 8.240 nan 0.000 0.419 500 T N 0.000 114.555 114.554 0.002 0.000 3.816 500 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 500 T CA 0.000 62.102 62.100 0.004 0.000 1.349 500 T CB 0.000 68.871 68.868 0.005 0.000 0.612 500 T HN 0.000 nan 8.240 nan 0.000 0.658