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 2pjr_1_A DATA FIRST_RESID 7 DATA SEQUENCE QLLAHLNKEQ QEAVRTTEGP LLIMAGAGSG KTRVLTHRIA YLMAEKHVAP DATA SEQUENCE WNILAITFTN KAAREMRERV QSLLGGAAED VWISTFHSMC VRILRRDIDR DATA SEQUENCE IGINRNFSIL DPTDQLSVMK TILKEKNIDP KKFEPRTILG TISAAKNELL DATA SEQUENCE PPEQFAKRAS TYYEKVVSDV YQEYQQRLLR NHSLDFDDLI MTTIQLFDRV DATA SEQUENCE PDVLHYYQYK FQYIHIDEYQ DTNRAQYTLV KKLAERFQNI CAVGDADQSI DATA SEQUENCE YRWRGADIQN ILSFERDYPN AKVILLEQNY RSTKRILQAA NEVIEHNVNR DATA SEQUENCE KPKRIWTENP EGKPILYYEA MNEADEAQFV AGRIREAVER GERRYRDFAV DATA SEQUENCE LYRTNAQSRV MEEMLLKANI PYQIVGGLKF YDRKEIKDIL AYLRVIANPD DATA SEQUENCE DDLSLLRIIN VPKRGIGAST IDKLVRYAAD HELSLFEALG ELEMIGLGAK DATA SEQUENCE AAGALAAFRS QLEQWTQLQE YVSVTELVEE VLDKSGYREM LKAERTIEAQ DATA SEQUENCE SRLENLDEFL SVTKHFENVS DDKSLIAFLT DLALISDLDE LD 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 176.039 176.000 0.065 0.000 1.003 7 Q CA 0.000 55.837 55.803 0.057 0.000 1.022 7 Q CB 0.000 28.773 28.738 0.058 0.000 1.108 8 L N -0.774 120.513 121.223 0.106 0.000 3.542 8 L HA -0.419 3.922 4.340 0.002 0.000 0.053 8 L C 1.515 178.382 176.870 -0.005 0.000 4.355 8 L CA 2.038 56.959 54.840 0.136 0.000 0.629 8 L CB -1.335 40.786 42.059 0.103 0.000 3.504 8 L HN 0.640 nan 8.230 nan 0.000 0.781 9 L N 0.348 121.540 121.223 -0.053 0.000 2.450 9 L HA -0.046 4.296 4.340 0.002 0.000 0.224 9 L C 2.022 178.731 176.870 -0.268 0.000 1.149 9 L CA 1.806 56.528 54.840 -0.196 0.000 0.816 9 L CB -0.916 41.068 42.059 -0.126 0.000 0.932 9 L HN 0.466 nan 8.230 nan 0.000 0.449 10 A N -0.463 122.268 122.820 -0.148 0.000 2.358 10 A HA 0.018 4.339 4.320 0.002 0.000 0.232 10 A C 1.075 178.698 177.584 0.065 0.000 1.498 10 A CA 0.847 52.871 52.037 -0.022 0.000 1.400 10 A CB -1.319 17.729 19.000 0.079 0.000 0.852 10 A HN 0.744 nan 8.150 nan 0.000 0.605 11 H N -3.201 115.859 119.070 -0.016 0.000 1.876 11 H HA 0.051 4.608 4.556 0.002 0.000 0.124 11 H C 0.081 175.379 175.328 -0.050 0.000 0.939 11 H CA -0.451 55.582 56.048 -0.025 0.000 0.511 11 H CB -0.946 28.800 29.762 -0.027 0.000 0.417 11 H HN 0.262 nan 8.280 nan 0.000 0.269 12 L N 4.411 125.449 121.223 -0.308 0.000 2.573 12 L HA -0.022 4.319 4.340 0.002 0.000 0.290 12 L C 0.506 177.327 176.870 -0.081 0.000 1.247 12 L CA 0.520 55.237 54.840 -0.204 0.000 0.876 12 L CB 0.007 41.857 42.059 -0.348 0.000 1.123 12 L HN 0.420 nan 8.230 nan 0.000 0.505 13 N N 2.137 120.837 118.700 0.001 0.000 2.381 13 N HA -0.000 4.741 4.740 0.002 0.000 0.241 13 N C 0.667 176.182 175.510 0.008 0.000 1.279 13 N CA -0.785 52.296 53.050 0.051 0.000 0.896 13 N CB 0.748 39.307 38.487 0.121 0.000 1.118 13 N HN 0.521 nan 8.380 nan 0.000 0.438 14 K N 0.681 121.097 120.400 0.028 0.000 2.052 14 K HA -0.267 4.054 4.320 0.002 0.000 0.215 14 K C 1.453 178.049 176.600 -0.006 0.000 1.053 14 K CA 1.949 58.240 56.287 0.006 0.000 0.934 14 K CB -0.294 32.221 32.500 0.025 0.000 0.717 14 K HN 0.684 nan 8.250 nan 0.000 0.450 15 E N 0.559 120.771 120.200 0.020 0.000 2.085 15 E HA -0.231 4.120 4.350 0.002 0.000 0.194 15 E C 2.138 178.722 176.600 -0.026 0.000 0.994 15 E CA 1.239 57.645 56.400 0.010 0.000 0.801 15 E CB -0.370 29.356 29.700 0.044 0.000 0.743 15 E HN 0.489 nan 8.360 nan 0.000 0.453 16 Q N 0.675 120.453 119.800 -0.036 0.000 2.050 16 Q HA -0.156 4.185 4.340 0.002 0.000 0.202 16 Q C 2.363 178.287 176.000 -0.126 0.000 0.980 16 Q CA 1.298 57.052 55.803 -0.082 0.000 0.840 16 Q CB -0.119 28.557 28.738 -0.103 0.000 0.898 16 Q HN 0.397 nan 8.270 nan 0.000 0.424 17 Q N 0.450 120.171 119.800 -0.131 0.000 2.084 17 Q HA -0.220 4.121 4.340 0.002 0.000 0.202 17 Q C 1.877 177.781 176.000 -0.161 0.000 0.978 17 Q CA 1.241 56.942 55.803 -0.169 0.000 0.844 17 Q CB 0.005 28.659 28.738 -0.141 0.000 0.898 17 Q HN 0.356 nan 8.270 nan 0.000 0.426 18 E N 0.177 120.314 120.200 -0.105 0.000 2.070 18 E HA -0.254 4.098 4.350 0.002 0.000 0.197 18 E C 1.852 178.393 176.600 -0.098 0.000 1.004 18 E CA 1.338 57.687 56.400 -0.085 0.000 0.805 18 E CB -0.120 29.551 29.700 -0.049 0.000 0.744 18 E HN 0.402 nan 8.360 nan 0.000 0.451 19 A N 0.082 122.844 122.820 -0.096 0.000 1.902 19 A HA -0.159 4.162 4.320 0.002 0.000 0.217 19 A C 2.396 179.911 177.584 -0.115 0.000 1.181 19 A CA 1.441 53.424 52.037 -0.090 0.000 0.623 19 A CB -0.478 18.476 19.000 -0.077 0.000 0.818 19 A HN 0.178 nan 8.150 nan 0.000 0.443 20 V N -0.208 119.598 119.914 -0.180 0.000 2.548 20 V HA -0.161 3.961 4.120 0.002 0.000 0.249 20 V C 2.387 178.203 176.094 -0.465 0.000 1.055 20 V CA 1.852 63.996 62.300 -0.260 0.000 1.065 20 V CB -0.762 30.877 31.823 -0.307 0.000 0.681 20 V HN 0.502 nan 8.190 nan 0.000 0.462 21 R N -0.382 119.837 120.500 -0.469 0.000 2.299 21 R HA 0.048 4.389 4.340 0.002 0.000 0.197 21 R C 0.554 176.785 176.300 -0.114 0.000 0.971 21 R CA 0.353 56.174 56.100 -0.465 0.000 1.030 21 R CB -0.096 30.021 30.300 -0.304 0.000 0.932 21 R HN 0.342 nan 8.270 nan 0.000 0.477 22 T N 1.211 115.715 114.554 -0.085 0.000 3.162 22 T HA 0.038 4.389 4.350 0.002 0.000 0.316 22 T C 1.226 175.942 174.700 0.026 0.000 1.182 22 T CA -0.026 62.067 62.100 -0.012 0.000 1.015 22 T CB 1.063 69.916 68.868 -0.025 0.000 1.089 22 T HN 0.292 nan 8.240 nan 0.000 0.646 23 T N -0.309 114.294 114.554 0.082 0.000 3.031 23 T HA 0.141 4.492 4.350 0.002 0.000 0.254 23 T C 0.620 175.446 174.700 0.209 0.000 1.060 23 T CA 0.092 62.262 62.100 0.116 0.000 1.135 23 T CB 0.121 69.037 68.868 0.079 0.000 0.896 23 T HN 0.264 nan 8.240 nan 0.000 0.472 24 E N 1.104 121.400 120.200 0.160 0.000 2.283 24 E HA 0.574 4.925 4.350 0.002 0.000 0.278 24 E C 0.743 177.387 176.600 0.072 0.000 1.027 24 E CA 0.971 57.453 56.400 0.138 0.000 0.843 24 E CB 0.838 30.600 29.700 0.104 0.000 1.062 24 E HN 0.732 nan 8.360 nan 0.000 0.401 25 G N 3.653 112.477 108.800 0.041 0.000 2.725 25 G HA2 -0.173 3.788 3.960 0.002 0.000 0.220 25 G HA3 -0.173 3.788 3.960 0.002 0.000 0.220 25 G C -2.584 172.312 174.900 -0.006 0.000 1.357 25 G CA -1.048 44.067 45.100 0.026 0.000 0.866 25 G HN 0.489 nan 8.290 nan 0.000 0.548 26 P HA 0.501 nan 4.420 nan 0.000 0.281 26 P C -0.590 176.752 177.300 0.070 0.000 1.286 26 P CA -0.186 62.896 63.100 -0.030 0.000 0.772 26 P CB 1.137 32.830 31.700 -0.012 0.000 0.862 27 L N 5.602 126.811 121.223 -0.024 0.000 2.349 27 L HA 0.531 4.872 4.340 0.002 0.000 0.278 27 L C -1.422 175.218 176.870 -0.383 0.000 0.996 27 L CA -0.883 53.889 54.840 -0.113 0.000 0.825 27 L CB 1.573 43.573 42.059 -0.098 0.000 1.243 27 L HN 0.125 nan 8.230 nan 0.000 0.412 28 L N 6.639 127.595 121.223 -0.446 0.000 2.276 28 L HA 0.592 4.934 4.340 0.002 0.000 0.286 28 L C -0.939 175.734 176.870 -0.327 0.000 1.024 28 L CA 0.066 54.482 54.840 -0.707 0.000 0.826 28 L CB 0.793 42.400 42.059 -0.753 0.000 1.211 28 L HN 0.543 nan 8.230 nan 0.000 0.422 29 I N 6.127 126.534 120.570 -0.272 0.000 2.315 29 I HA 0.266 4.437 4.170 0.002 0.000 0.291 29 I C -0.139 175.917 176.117 -0.102 0.000 1.006 29 I CA -0.409 60.806 61.300 -0.141 0.000 1.265 29 I CB 1.290 39.230 38.000 -0.100 0.000 1.387 29 I HN 0.485 nan 8.210 nan 0.000 0.475 30 M N 6.312 125.874 119.600 -0.062 0.000 2.725 30 M HA 0.247 4.729 4.480 0.002 0.000 0.322 30 M C 0.228 176.518 176.300 -0.017 0.000 1.393 30 M CA -0.382 54.901 55.300 -0.029 0.000 1.452 30 M CB 0.271 32.865 32.600 -0.009 0.000 1.242 30 M HN 0.570 nan 8.290 nan 0.000 0.487 31 A N 2.964 125.775 122.820 -0.015 0.000 2.805 31 A HA 0.565 4.887 4.320 0.002 0.000 0.301 31 A C 1.055 178.637 177.584 -0.003 0.000 1.557 31 A CA -0.393 51.638 52.037 -0.010 0.000 1.254 31 A CB -0.626 18.370 19.000 -0.007 0.000 1.114 31 A HN 0.843 nan 8.150 nan 0.000 0.553 32 G N 1.350 110.145 108.800 -0.008 0.000 2.614 32 G HA2 0.485 4.446 3.960 0.002 0.000 0.239 32 G HA3 0.485 4.446 3.960 0.002 0.000 0.239 32 G C 0.642 175.534 174.900 -0.013 0.000 1.240 32 G CA 0.090 45.184 45.100 -0.009 0.000 0.842 32 G HN 1.491 nan 8.290 nan 0.000 0.584 33 A N -0.128 122.687 122.820 -0.009 0.000 2.565 33 A HA 0.491 4.813 4.320 0.002 0.000 0.237 33 A C 1.755 179.329 177.584 -0.016 0.000 1.053 33 A CA 1.272 53.304 52.037 -0.008 0.000 0.755 33 A CB -0.460 18.537 19.000 -0.005 0.000 0.980 33 A HN 2.683 nan 8.150 nan 0.000 0.506 34 G N 1.253 110.053 108.800 -0.001 0.000 2.168 34 G HA2 -0.233 3.728 3.960 0.002 0.000 0.257 34 G HA3 -0.233 3.728 3.960 0.002 0.000 0.257 34 G C 0.740 175.679 174.900 0.064 0.000 0.997 34 G CA 1.163 46.274 45.100 0.018 0.000 0.708 34 G HN 2.174 nan 8.290 nan 0.000 0.520 35 S N -0.774 114.950 115.700 0.040 0.000 2.582 35 S HA 0.486 4.957 4.470 0.002 0.000 0.234 35 S C 1.568 176.201 174.600 0.054 0.000 0.961 35 S CA 0.692 58.944 58.200 0.087 0.000 0.953 35 S CB 0.574 63.773 63.200 -0.002 0.000 0.800 35 S HN 2.233 nan 8.310 nan 0.000 0.471 36 G N 2.959 111.751 108.800 -0.014 0.000 2.291 36 G HA2 -0.299 3.662 3.960 0.002 0.000 0.271 36 G HA3 -0.299 3.662 3.960 0.002 0.000 0.271 36 G C 0.502 175.362 174.900 -0.067 0.000 1.099 36 G CA 0.326 45.372 45.100 -0.090 0.000 0.919 36 G HN 0.724 nan 8.290 nan 0.000 0.496 37 K N -1.518 118.861 120.400 -0.034 0.000 2.076 37 K HA 0.005 4.326 4.320 0.002 0.000 0.204 37 K C 2.087 178.677 176.600 -0.018 0.000 1.051 37 K CA 1.575 57.848 56.287 -0.023 0.000 0.949 37 K CB -0.336 32.162 32.500 -0.004 0.000 0.726 37 K HN 0.173 nan 8.250 nan 0.000 0.443 38 T N 1.163 115.710 114.554 -0.012 0.000 2.821 38 T HA -0.104 4.247 4.350 0.002 0.000 0.267 38 T C 1.878 176.580 174.700 0.004 0.000 1.046 38 T CA 1.497 63.595 62.100 -0.003 0.000 1.139 38 T CB -0.154 68.715 68.868 0.001 0.000 0.871 38 T HN 0.364 nan 8.240 nan 0.000 0.454 39 R N 0.590 121.079 120.500 -0.019 0.000 2.075 39 R HA -0.040 4.301 4.340 0.002 0.000 0.232 39 R C 2.249 178.523 176.300 -0.043 0.000 1.126 39 R CA 1.084 57.175 56.100 -0.016 0.000 0.963 39 R CB -0.527 29.697 30.300 -0.128 0.000 0.858 39 R HN 0.193 nan 8.270 nan 0.000 0.435 40 V N 0.822 120.685 119.914 -0.085 0.000 2.427 40 V HA -0.199 3.922 4.120 0.002 0.000 0.248 40 V C 2.069 178.153 176.094 -0.016 0.000 1.051 40 V CA 1.205 63.456 62.300 -0.083 0.000 1.048 40 V CB -0.358 31.421 31.823 -0.074 0.000 0.666 40 V HN 0.283 nan 8.190 nan 0.000 0.456 41 L N 0.626 121.841 121.223 -0.013 0.000 2.109 41 L HA -0.092 4.249 4.340 0.002 0.000 0.207 41 L C 2.760 179.572 176.870 -0.096 0.000 1.086 41 L CA 2.601 57.409 54.840 -0.053 0.000 0.760 41 L CB -1.075 40.956 42.059 -0.046 0.000 0.910 41 L HN 0.612 nan 8.230 nan 0.000 0.437 42 T N -5.114 109.438 114.554 -0.002 0.000 2.951 42 T HA -0.135 4.216 4.350 0.002 0.000 0.268 42 T C 1.813 176.510 174.700 -0.005 0.000 1.073 42 T CA 0.979 63.071 62.100 -0.013 0.000 1.134 42 T CB -0.495 68.388 68.868 0.026 0.000 0.884 42 T HN 0.419 nan 8.240 nan 0.000 0.479 43 H N 0.391 119.420 119.070 -0.068 0.000 2.448 43 H HA 0.253 4.810 4.556 0.002 0.000 0.292 43 H C 2.657 177.969 175.328 -0.027 0.000 1.035 43 H CA 0.514 56.534 56.048 -0.047 0.000 1.349 43 H CB 0.213 29.935 29.762 -0.067 0.000 1.425 43 H HN 0.253 nan 8.280 nan 0.000 0.539 44 R N 0.760 121.309 120.500 0.082 0.000 2.092 44 R HA -0.080 4.261 4.340 0.002 0.000 0.231 44 R C 2.302 178.654 176.300 0.087 0.000 1.119 44 R CA 0.763 56.918 56.100 0.092 0.000 0.970 44 R CB -0.051 30.340 30.300 0.152 0.000 0.864 44 R HN 0.243 nan 8.270 nan 0.000 0.440 45 I N 0.214 120.750 120.570 -0.056 0.000 2.142 45 I HA -0.302 3.869 4.170 0.002 0.000 0.240 45 I C 2.554 178.634 176.117 -0.061 0.000 1.078 45 I CA 1.457 62.697 61.300 -0.100 0.000 1.343 45 I CB -0.414 37.469 38.000 -0.195 0.000 1.046 45 I HN 0.223 nan 8.210 nan 0.000 0.405 46 A N 0.130 122.913 122.820 -0.061 0.000 1.858 46 A HA -0.310 4.011 4.320 0.002 0.000 0.216 46 A C 2.307 179.858 177.584 -0.055 0.000 1.190 46 A CA 1.770 53.761 52.037 -0.077 0.000 0.617 46 A CB -1.294 17.638 19.000 -0.113 0.000 0.827 46 A HN 0.539 nan 8.150 nan 0.000 0.443 47 Y N 0.508 120.736 120.300 -0.120 0.000 2.193 47 Y HA -0.245 4.307 4.550 0.002 0.000 0.285 47 Y C 1.976 177.770 175.900 -0.176 0.000 1.166 47 Y CA 1.976 60.002 58.100 -0.124 0.000 1.181 47 Y CB -0.297 38.114 38.460 -0.082 0.000 0.976 47 Y HN 0.240 nan 8.280 nan 0.000 0.520 48 L N -0.734 120.407 121.223 -0.137 0.000 2.017 48 L HA -0.295 4.047 4.340 0.002 0.000 0.208 48 L C 2.542 179.195 176.870 -0.361 0.000 1.073 48 L CA 1.851 56.491 54.840 -0.332 0.000 0.745 48 L CB -0.445 41.398 42.059 -0.361 0.000 0.894 48 L HN 0.362 nan 8.230 nan 0.000 0.432 49 M N -1.136 118.305 119.600 -0.264 0.000 2.099 49 M HA -0.161 4.320 4.480 0.002 0.000 0.262 49 M C 2.409 178.522 176.300 -0.311 0.000 1.067 49 M CA 1.912 57.066 55.300 -0.242 0.000 1.124 49 M CB -0.392 32.109 32.600 -0.165 0.000 1.353 49 M HN 0.296 nan 8.290 nan 0.000 0.410 50 A N -0.829 121.798 122.820 -0.323 0.000 1.930 50 A HA -0.071 4.251 4.320 0.002 0.000 0.215 50 A C 2.118 179.369 177.584 -0.554 0.000 1.176 50 A CA 1.198 53.017 52.037 -0.363 0.000 0.632 50 A CB -0.200 18.668 19.000 -0.219 0.000 0.819 50 A HN 0.329 nan 8.150 nan 0.000 0.445 51 E N -0.298 119.507 120.200 -0.659 0.000 2.175 51 E HA 0.045 4.396 4.350 0.002 0.000 0.195 51 E C 1.059 177.300 176.600 -0.599 0.000 0.934 51 E CA 0.492 56.483 56.400 -0.682 0.000 0.870 51 E CB 0.048 29.153 29.700 -0.992 0.000 0.838 51 E HN 0.347 nan 8.360 nan 0.000 0.474 52 K N 0.548 120.601 120.400 -0.578 0.000 2.458 52 K HA 0.051 4.372 4.320 0.002 0.000 0.194 52 K C -0.546 175.935 176.600 -0.199 0.000 1.024 52 K CA -0.076 56.013 56.287 -0.329 0.000 1.108 52 K CB -0.179 32.139 32.500 -0.303 0.000 0.846 52 K HN 0.263 nan 8.250 nan 0.000 0.518 53 H N -0.385 118.557 119.070 -0.213 0.000 2.496 53 H HA -0.139 4.419 4.556 0.002 0.000 0.323 53 H C -0.663 174.557 175.328 -0.180 0.000 1.054 53 H CA -0.015 55.931 56.048 -0.171 0.000 1.095 53 H CB -1.503 28.186 29.762 -0.121 0.000 1.595 53 H HN -0.116 nan 8.280 nan 0.000 0.388 54 V N 0.664 120.481 119.914 -0.162 0.000 2.427 54 V HA 0.558 4.679 4.120 0.002 0.000 0.286 54 V C 0.867 176.785 176.094 -0.293 0.000 1.034 54 V CA -0.206 61.979 62.300 -0.193 0.000 0.893 54 V CB 1.698 33.380 31.823 -0.235 0.000 0.982 54 V HN 0.663 nan 8.190 nan 0.000 0.452 55 A N 6.746 129.271 122.820 -0.492 0.000 2.498 55 A HA 0.389 4.710 4.320 0.002 0.000 0.239 55 A C -1.386 175.750 177.584 -0.746 0.000 1.068 55 A CA -0.777 50.688 52.037 -0.953 0.000 0.766 55 A CB -0.041 17.619 19.000 -2.233 0.000 1.003 55 A HN 0.728 nan 8.150 nan 0.000 0.497 56 P HA -0.144 nan 4.420 nan 0.000 0.216 56 P C 1.034 178.316 177.300 -0.030 0.000 1.150 56 P CA 1.472 64.448 63.100 -0.207 0.000 0.837 56 P CB -0.071 31.593 31.700 -0.061 0.000 0.786 57 W N -1.370 120.019 121.300 0.148 0.000 3.096 57 W HA 0.162 4.824 4.660 0.003 0.000 0.241 57 W C 0.140 176.780 176.519 0.201 0.000 1.316 57 W CA 0.097 57.556 57.345 0.191 0.000 1.520 57 W CB -1.901 27.646 29.460 0.146 0.000 1.128 57 W HN 0.112 nan 8.180 nan 0.000 0.707 58 N N 0.350 119.157 118.700 0.180 0.000 2.171 58 N HA 0.186 4.927 4.740 0.002 0.000 0.212 58 N C -0.083 175.591 175.510 0.274 0.000 1.184 58 N CA -0.140 53.031 53.050 0.202 0.000 0.888 58 N CB 0.521 39.032 38.487 0.041 0.000 1.038 58 N HN -0.075 nan 8.380 nan 0.000 0.517 59 I N 1.655 122.389 120.570 0.274 0.000 2.354 59 I HA 0.303 4.474 4.170 0.002 0.000 0.292 59 I C -1.041 175.291 176.117 0.359 0.000 0.989 59 I CA -0.859 60.622 61.300 0.301 0.000 1.188 59 I CB 1.424 39.540 38.000 0.194 0.000 1.342 59 I HN -0.075 nan 8.210 nan 0.000 0.457 60 L N 6.811 128.202 121.223 0.280 0.000 2.342 60 L HA 0.918 5.260 4.340 0.002 0.000 0.271 60 L C -0.815 176.129 176.870 0.124 0.000 1.008 60 L CA -0.306 54.593 54.840 0.098 0.000 0.818 60 L CB 1.834 43.582 42.059 -0.519 0.000 1.296 60 L HN 0.674 nan 8.230 nan 0.000 0.427 61 A N 5.766 128.630 122.820 0.075 0.000 2.476 61 A HA 0.713 5.034 4.320 0.002 0.000 0.280 61 A C -1.196 176.370 177.584 -0.031 0.000 1.081 61 A CA -0.310 51.757 52.037 0.050 0.000 0.753 61 A CB 0.440 19.445 19.000 0.008 0.000 1.248 61 A HN 0.627 nan 8.150 nan 0.000 0.424 62 I N 2.413 122.899 120.570 -0.140 0.000 2.392 62 I HA 0.558 4.729 4.170 0.002 0.000 0.295 62 I C 0.562 176.562 176.117 -0.194 0.000 0.985 62 I CA -0.146 60.979 61.300 -0.291 0.000 1.221 62 I CB 2.255 39.824 38.000 -0.718 0.000 1.366 62 I HN 0.709 nan 8.210 nan 0.000 0.467 63 T N 2.266 116.730 114.554 -0.151 0.000 2.718 63 T HA 0.492 4.843 4.350 0.002 0.000 0.267 63 T C 0.176 174.868 174.700 -0.014 0.000 0.957 63 T CA -0.289 61.831 62.100 0.034 0.000 1.025 63 T CB 1.334 70.251 68.868 0.081 0.000 1.355 63 T HN 0.306 nan 8.240 nan 0.000 0.572 64 F N 0.723 120.717 119.950 0.074 0.000 2.577 64 F HA 0.252 4.781 4.527 0.002 0.000 0.276 64 F C 1.555 177.386 175.800 0.052 0.000 1.032 64 F CA 0.072 58.133 58.000 0.102 0.000 1.297 64 F CB 0.151 39.190 39.000 0.065 0.000 1.061 64 F HN 0.625 nan 8.300 nan 0.000 0.680 65 T N -1.368 113.318 114.554 0.221 0.000 2.875 65 T HA 0.248 4.599 4.350 0.002 0.000 0.284 65 T C 0.826 175.566 174.700 0.067 0.000 0.995 65 T CA -0.692 61.471 62.100 0.106 0.000 1.060 65 T CB 1.334 70.252 68.868 0.084 0.000 0.967 65 T HN -0.029 nan 8.240 nan 0.000 0.476 66 N N 1.690 120.410 118.700 0.034 0.000 2.069 66 N HA -0.151 4.590 4.740 0.002 0.000 0.191 66 N C 1.821 177.346 175.510 0.025 0.000 1.031 66 N CA 1.493 54.556 53.050 0.023 0.000 0.852 66 N CB -0.272 38.217 38.487 0.003 0.000 1.018 66 N HN 0.839 nan 8.380 nan 0.000 0.423 67 K N 1.199 121.612 120.400 0.023 0.000 2.103 67 K HA -0.064 4.257 4.320 0.002 0.000 0.207 67 K C 1.931 178.548 176.600 0.028 0.000 1.048 67 K CA 1.474 57.774 56.287 0.022 0.000 0.930 67 K CB -0.089 32.423 32.500 0.020 0.000 0.716 67 K HN 0.074 nan 8.250 nan 0.000 0.444 68 A N 0.896 123.741 122.820 0.042 0.000 1.968 68 A HA 0.043 4.364 4.320 0.002 0.000 0.217 68 A C 2.327 179.934 177.584 0.039 0.000 1.169 68 A CA 1.454 53.519 52.037 0.047 0.000 0.638 68 A CB -0.625 18.418 19.000 0.072 0.000 0.812 68 A HN 0.518 nan 8.150 nan 0.000 0.446 69 A N -0.137 122.707 122.820 0.040 0.000 1.872 69 A HA -0.110 4.212 4.320 0.002 0.000 0.214 69 A C 2.244 179.841 177.584 0.020 0.000 1.187 69 A CA 1.526 53.581 52.037 0.031 0.000 0.614 69 A CB -0.544 18.476 19.000 0.033 0.000 0.826 69 A HN 0.522 nan 8.150 nan 0.000 0.442 70 R N 0.131 120.643 120.500 0.020 0.000 2.097 70 R HA -0.221 4.121 4.340 0.002 0.000 0.236 70 R C 2.042 178.348 176.300 0.010 0.000 1.135 70 R CA 2.161 58.270 56.100 0.015 0.000 0.934 70 R CB -0.432 29.878 30.300 0.016 0.000 0.846 70 R HN 0.700 nan 8.270 nan 0.000 0.431 71 E N 0.220 120.426 120.200 0.011 0.000 2.085 71 E HA -0.265 4.086 4.350 0.002 0.000 0.194 71 E C 2.059 178.661 176.600 0.002 0.000 0.994 71 E CA 1.671 58.075 56.400 0.006 0.000 0.801 71 E CB -0.247 29.458 29.700 0.009 0.000 0.743 71 E HN 0.425 nan 8.360 nan 0.000 0.453 72 M N 0.701 120.304 119.600 0.004 0.000 2.213 72 M HA -0.175 4.306 4.480 0.002 0.000 0.263 72 M C 2.266 178.559 176.300 -0.011 0.000 1.062 72 M CA 1.277 56.574 55.300 -0.004 0.000 1.105 72 M CB 0.138 32.737 32.600 -0.002 0.000 1.385 72 M HN -0.122 nan 8.290 nan 0.000 0.417 73 R N 0.655 121.152 120.500 -0.005 0.000 2.066 73 R HA -0.103 4.238 4.340 0.002 0.000 0.232 73 R C 1.733 178.026 176.300 -0.012 0.000 1.131 73 R CA 2.168 58.264 56.100 -0.007 0.000 0.955 73 R CB -0.464 29.834 30.300 -0.003 0.000 0.851 73 R HN 0.525 nan 8.270 nan 0.000 0.432 74 E N -0.351 119.844 120.200 -0.009 0.000 2.031 74 E HA -0.178 4.173 4.350 0.002 0.000 0.193 74 E C 2.190 178.778 176.600 -0.019 0.000 0.994 74 E CA 1.160 57.553 56.400 -0.011 0.000 0.800 74 E CB -0.186 29.510 29.700 -0.007 0.000 0.752 74 E HN 0.220 nan 8.360 nan 0.000 0.447 75 R N 0.530 121.019 120.500 -0.019 0.000 2.103 75 R HA -0.139 4.202 4.340 0.002 0.000 0.242 75 R C 2.328 178.599 176.300 -0.048 0.000 1.142 75 R CA 1.281 57.366 56.100 -0.026 0.000 0.960 75 R CB -0.443 29.850 30.300 -0.012 0.000 0.858 75 R HN 0.123 nan 8.270 nan 0.000 0.439 76 V N 0.487 120.372 119.914 -0.048 0.000 3.141 76 V HA -0.158 3.963 4.120 0.002 0.000 0.265 76 V C 1.813 177.872 176.094 -0.058 0.000 1.126 76 V CA 1.350 63.610 62.300 -0.066 0.000 1.141 76 V CB -0.335 31.454 31.823 -0.057 0.000 0.743 76 V HN 0.325 nan 8.190 nan 0.000 0.492 77 Q N -1.090 118.685 119.800 -0.042 0.000 2.356 77 Q HA 0.102 4.443 4.340 0.002 0.000 0.205 77 Q C 2.022 177.999 176.000 -0.038 0.000 0.901 77 Q CA 0.229 56.011 55.803 -0.035 0.000 0.938 77 Q CB 0.396 29.120 28.738 -0.023 0.000 1.081 77 Q HN 0.493 nan 8.270 nan 0.000 0.517 78 S N -0.344 115.328 115.700 -0.047 0.000 2.548 78 S HA 0.179 4.650 4.470 0.002 0.000 0.215 78 S C 1.235 175.797 174.600 -0.063 0.000 0.976 78 S CA 0.115 58.288 58.200 -0.046 0.000 0.908 78 S CB 0.390 63.566 63.200 -0.041 0.000 0.781 78 S HN 0.296 nan 8.310 nan 0.000 0.519 79 L N -0.142 121.031 121.223 -0.083 0.000 2.379 79 L HA 0.204 4.545 4.340 0.002 0.000 0.190 79 L C 1.212 178.036 176.870 -0.077 0.000 1.111 79 L CA 0.457 55.233 54.840 -0.106 0.000 0.820 79 L CB -0.165 41.791 42.059 -0.172 0.000 1.046 79 L HN 0.250 nan 8.230 nan 0.000 0.485 80 L N -0.290 120.892 121.223 -0.069 0.000 2.556 80 L HA 0.280 4.621 4.340 0.002 0.000 0.226 80 L C 1.380 178.229 176.870 -0.035 0.000 1.089 80 L CA 0.749 55.558 54.840 -0.052 0.000 0.864 80 L CB -1.726 40.301 42.059 -0.054 0.000 1.067 80 L HN 0.402 nan 8.230 nan 0.000 0.477 81 G N 0.854 109.633 108.800 -0.034 0.000 2.424 81 G HA2 -0.100 3.861 3.960 0.002 0.000 0.294 81 G HA3 -0.100 3.861 3.960 0.002 0.000 0.294 81 G C 1.015 175.907 174.900 -0.014 0.000 0.939 81 G CA 1.009 46.095 45.100 -0.024 0.000 1.143 81 G HN 0.696 nan 8.290 nan 0.000 0.507 82 G N -1.682 107.113 108.800 -0.009 0.000 4.003 82 G HA2 0.339 4.301 3.960 0.002 0.000 0.204 82 G HA3 0.339 4.301 3.960 0.002 0.000 0.204 82 G C 1.235 176.144 174.900 0.014 0.000 1.077 82 G CA 1.266 46.367 45.100 0.001 0.000 0.872 82 G HN 1.611 nan 8.290 nan 0.000 0.350 83 A N 0.952 123.780 122.820 0.013 0.000 2.169 83 A HA 0.687 5.008 4.320 0.002 0.000 0.212 83 A C 2.376 179.977 177.584 0.028 0.000 1.153 83 A CA 1.881 53.936 52.037 0.030 0.000 0.756 83 A CB -0.335 18.676 19.000 0.019 0.000 0.813 83 A HN 1.435 nan 8.150 nan 0.000 0.471 84 A N 0.058 122.883 122.820 0.008 0.000 2.209 84 A HA -0.008 4.313 4.320 0.002 0.000 0.212 84 A C 1.652 179.252 177.584 0.027 0.000 1.158 84 A CA 1.012 53.052 52.037 0.006 0.000 0.742 84 A CB -0.350 18.640 19.000 -0.017 0.000 0.790 84 A HN 0.617 nan 8.150 nan 0.000 0.472 85 E N -0.116 120.103 120.200 0.031 0.000 2.150 85 E HA -0.194 4.158 4.350 0.002 0.000 0.193 85 E C 0.796 177.432 176.600 0.059 0.000 0.985 85 E CA 1.224 57.641 56.400 0.029 0.000 0.814 85 E CB -0.180 29.531 29.700 0.019 0.000 0.752 85 E HN 0.647 nan 8.360 nan 0.000 0.466 86 D N 0.062 120.527 120.400 0.109 0.000 2.378 86 D HA -0.027 4.614 4.640 0.002 0.000 0.227 86 D C -0.272 176.167 176.300 0.231 0.000 1.012 86 D CA 0.135 54.253 54.000 0.196 0.000 0.905 86 D CB 0.442 41.441 40.800 0.330 0.000 0.895 86 D HN -0.124 nan 8.370 nan 0.000 0.532 87 V N 0.964 120.975 119.914 0.163 0.000 2.649 87 V HA 0.032 4.153 4.120 0.002 0.000 0.292 87 V C -0.097 176.154 176.094 0.261 0.000 1.055 87 V CA -0.773 61.649 62.300 0.203 0.000 1.023 87 V CB 1.315 33.206 31.823 0.113 0.000 0.992 87 V HN 0.221 nan 8.190 nan 0.000 0.480 88 W N 6.374 127.782 121.300 0.179 0.000 2.387 88 W HA 0.493 5.154 4.660 0.001 0.000 0.310 88 W C -0.769 175.791 176.519 0.069 0.000 1.181 88 W CA -0.753 56.696 57.345 0.173 0.000 1.333 88 W CB 0.872 30.519 29.460 0.311 0.000 1.286 88 W HN 0.413 nan 8.180 nan 0.000 0.455 89 I N 5.820 126.520 120.570 0.218 0.000 2.563 89 I HA 0.092 4.263 4.170 0.002 0.000 0.276 89 I C 0.081 176.254 176.117 0.094 0.000 1.074 89 I CA -0.092 61.289 61.300 0.134 0.000 1.124 89 I CB 1.052 39.085 38.000 0.055 0.000 1.225 89 I HN 0.062 nan 8.210 nan 0.000 0.482 90 S N 2.384 118.191 115.700 0.178 0.000 2.709 90 S HA 0.690 5.162 4.470 0.002 0.000 0.302 90 S C -0.081 174.554 174.600 0.058 0.000 1.127 90 S CA -0.417 57.865 58.200 0.136 0.000 0.905 90 S CB 2.133 65.517 63.200 0.307 0.000 1.151 90 S HN 0.649 nan 8.310 nan 0.000 0.510 91 T N -0.467 114.117 114.554 0.050 0.000 2.934 91 T HA 0.489 4.841 4.350 0.002 0.000 0.283 91 T C 0.970 175.657 174.700 -0.023 0.000 1.005 91 T CA -0.392 61.706 62.100 -0.003 0.000 1.041 91 T CB 0.299 69.201 68.868 0.056 0.000 1.042 91 T HN 0.343 nan 8.240 nan 0.000 0.505 92 F N 0.991 120.791 119.950 -0.250 0.000 2.085 92 F HA -0.197 4.331 4.527 0.002 0.000 0.299 92 F C 2.702 178.318 175.800 -0.306 0.000 1.096 92 F CA 2.050 59.830 58.000 -0.366 0.000 1.227 92 F CB -0.570 38.029 39.000 -0.667 0.000 0.983 92 F HN 0.747 nan 8.300 nan 0.000 0.482 93 H N -2.086 117.042 119.070 0.097 0.000 2.363 93 H HA -0.057 4.500 4.556 0.002 0.000 0.301 93 H C 2.540 177.936 175.328 0.115 0.000 1.074 93 H CA 1.479 57.574 56.048 0.078 0.000 1.354 93 H CB -0.644 29.119 29.762 0.003 0.000 1.397 93 H HN 0.177 nan 8.280 nan 0.000 0.516 94 S N 1.030 116.855 115.700 0.208 0.000 2.368 94 S HA -0.164 4.307 4.470 0.002 0.000 0.225 94 S C 2.331 177.071 174.600 0.234 0.000 1.030 94 S CA 1.537 59.846 58.200 0.182 0.000 0.999 94 S CB -0.231 63.047 63.200 0.129 0.000 0.844 94 S HN 0.486 nan 8.310 nan 0.000 0.459 95 M N -0.050 119.716 119.600 0.277 0.000 2.229 95 M HA -0.047 4.434 4.480 0.002 0.000 0.264 95 M C 2.157 178.639 176.300 0.304 0.000 1.063 95 M CA 1.496 57.072 55.300 0.460 0.000 1.114 95 M CB -0.701 32.145 32.600 0.411 0.000 1.387 95 M HN 0.243 nan 8.290 nan 0.000 0.420 96 C N 0.394 119.799 119.300 0.174 0.000 2.440 96 C HA -0.047 4.414 4.460 0.002 0.000 0.278 96 C C 2.781 177.871 174.990 0.166 0.000 1.295 96 C CA 0.859 59.937 59.018 0.099 0.000 1.738 96 C CB -0.755 27.009 27.740 0.039 0.000 1.987 96 C HN 0.579 nan 8.230 nan 0.000 0.492 97 V N 0.444 120.497 119.914 0.232 0.000 2.307 97 V HA -0.198 3.924 4.120 0.002 0.000 0.245 97 V C 2.558 178.817 176.094 0.276 0.000 1.045 97 V CA 1.759 64.234 62.300 0.291 0.000 1.024 97 V CB -0.701 31.278 31.823 0.259 0.000 0.651 97 V HN 0.463 nan 8.190 nan 0.000 0.449 98 R N -0.367 120.298 120.500 0.274 0.000 2.103 98 R HA -0.180 4.161 4.340 0.002 0.000 0.242 98 R C 2.241 178.751 176.300 0.351 0.000 1.142 98 R CA 1.998 58.282 56.100 0.307 0.000 0.960 98 R CB -0.426 30.123 30.300 0.414 0.000 0.858 98 R HN 0.470 nan 8.270 nan 0.000 0.439 99 I N 0.497 121.261 120.570 0.324 0.000 2.202 99 I HA -0.299 3.872 4.170 0.002 0.000 0.242 99 I C 2.148 178.400 176.117 0.225 0.000 1.091 99 I CA 1.301 62.755 61.300 0.256 0.000 1.368 99 I CB -0.250 37.759 38.000 0.015 0.000 1.058 99 I HN 0.182 nan 8.210 nan 0.000 0.410 100 L N 0.090 121.428 121.223 0.192 0.000 2.141 100 L HA -0.118 4.223 4.340 0.002 0.000 0.209 100 L C 2.361 179.429 176.870 0.330 0.000 1.094 100 L CA 0.769 55.726 54.840 0.194 0.000 0.763 100 L CB -0.579 41.549 42.059 0.114 0.000 0.908 100 L HN 0.171 nan 8.230 nan 0.000 0.437 101 R N 1.137 121.846 120.500 0.350 0.000 2.377 101 R HA -0.094 4.247 4.340 0.002 0.000 0.207 101 R C 1.481 177.890 176.300 0.180 0.000 1.075 101 R CA 0.696 56.951 56.100 0.257 0.000 1.035 101 R CB -0.268 30.119 30.300 0.146 0.000 0.857 101 R HN 0.593 nan 8.270 nan 0.000 0.475 102 R N -2.139 118.472 120.500 0.185 0.000 2.539 102 R HA 0.188 4.529 4.340 0.002 0.000 0.342 102 R C -0.180 176.186 176.300 0.110 0.000 0.941 102 R CA -0.192 55.986 56.100 0.131 0.000 1.146 102 R CB 0.626 31.003 30.300 0.128 0.000 1.541 102 R HN -0.151 nan 8.270 nan 0.000 0.525 103 D N 0.174 120.652 120.400 0.130 0.000 2.497 103 D HA 0.072 4.714 4.640 0.002 0.000 0.256 103 D C 0.890 177.236 176.300 0.077 0.000 1.273 103 D CA -0.111 53.949 54.000 0.099 0.000 0.812 103 D CB 0.636 41.513 40.800 0.129 0.000 1.190 103 D HN 0.058 nan 8.370 nan 0.000 0.524 104 I N 2.149 122.769 120.570 0.084 0.000 2.493 104 I HA -0.197 3.975 4.170 0.002 0.000 0.254 104 I C 1.465 177.603 176.117 0.034 0.000 1.160 104 I CA 1.450 62.767 61.300 0.029 0.000 1.445 104 I CB -0.020 37.984 38.000 0.007 0.000 1.086 104 I HN -0.109 nan 8.210 nan 0.000 0.433 105 D N -0.093 120.343 120.400 0.061 0.000 2.310 105 D HA -0.190 4.451 4.640 0.002 0.000 0.212 105 D C 1.836 178.156 176.300 0.034 0.000 0.965 105 D CA 0.746 54.777 54.000 0.051 0.000 0.879 105 D CB -0.752 40.075 40.800 0.045 0.000 0.921 105 D HN 0.357 nan 8.370 nan 0.000 0.510 106 R N 0.471 120.989 120.500 0.030 0.000 2.285 106 R HA 0.071 4.412 4.340 0.002 0.000 0.213 106 R C 1.296 177.605 176.300 0.014 0.000 1.068 106 R CA 0.693 56.806 56.100 0.022 0.000 1.004 106 R CB -0.243 30.074 30.300 0.028 0.000 0.873 106 R HN 0.466 nan 8.270 nan 0.000 0.467 107 I N -4.136 116.438 120.570 0.007 0.000 3.569 107 I HA 0.409 4.580 4.170 0.002 0.000 0.334 107 I C 0.309 176.425 176.117 -0.002 0.000 1.570 107 I CA -0.325 60.971 61.300 -0.006 0.000 1.082 107 I CB 0.764 38.748 38.000 -0.026 0.000 1.323 107 I HN 0.025 nan 8.210 nan 0.000 0.489 108 G N 2.417 111.229 108.800 0.020 0.000 2.273 108 G HA2 -0.243 3.718 3.960 0.002 0.000 0.280 108 G HA3 -0.243 3.718 3.960 0.002 0.000 0.280 108 G C -0.280 174.683 174.900 0.104 0.000 1.047 108 G CA 0.449 45.577 45.100 0.046 0.000 0.869 108 G HN 0.578 nan 8.290 nan 0.000 0.502 109 I N -0.406 120.232 120.570 0.113 0.000 2.582 109 I HA 0.242 4.414 4.170 0.002 0.000 0.292 109 I C 0.390 176.623 176.117 0.193 0.000 1.066 109 I CA -1.041 60.400 61.300 0.235 0.000 1.053 109 I CB 1.640 39.694 38.000 0.091 0.000 1.241 109 I HN 0.015 nan 8.210 nan 0.000 0.421 110 N N 4.537 123.324 118.700 0.144 0.000 2.301 110 N HA -0.050 4.691 4.740 0.002 0.000 0.267 110 N C 0.956 176.590 175.510 0.207 0.000 1.304 110 N CA 0.468 53.503 53.050 -0.025 0.000 0.851 110 N CB 0.799 39.110 38.487 -0.294 0.000 1.070 110 N HN 0.505 nan 8.380 nan 0.000 0.483 111 R N 2.362 122.944 120.500 0.138 0.000 2.293 111 R HA -0.056 4.286 4.340 0.002 0.000 0.219 111 R C 0.481 176.833 176.300 0.086 0.000 1.091 111 R CA 0.919 57.136 56.100 0.196 0.000 1.004 111 R CB 0.121 30.479 30.300 0.096 0.000 0.865 111 R HN 0.464 nan 8.270 nan 0.000 0.469 112 N N 0.095 118.798 118.700 0.006 0.000 2.268 112 N HA 0.019 4.760 4.740 0.002 0.000 0.204 112 N C -0.765 174.656 175.510 -0.149 0.000 1.124 112 N CA -0.280 52.698 53.050 -0.120 0.000 0.838 112 N CB 0.107 38.537 38.487 -0.095 0.000 0.994 112 N HN 0.102 nan 8.380 nan 0.000 0.489 113 F N -0.041 119.912 119.950 0.005 0.000 2.642 113 F HA 0.152 4.680 4.527 0.001 0.000 0.371 113 F C 0.640 176.454 175.800 0.025 0.000 1.120 113 F CA -0.978 57.045 58.000 0.039 0.000 1.331 113 F CB 0.019 39.059 39.000 0.065 0.000 1.044 113 F HN -0.214 nan 8.300 nan 0.000 0.594 114 S N 3.476 119.268 115.700 0.154 0.000 2.584 114 S HA 0.539 5.010 4.470 0.002 0.000 0.273 114 S C -0.192 174.497 174.600 0.147 0.000 1.311 114 S CA -0.567 57.666 58.200 0.055 0.000 1.034 114 S CB 0.948 64.170 63.200 0.037 0.000 0.939 114 S HN 0.557 nan 8.310 nan 0.000 0.513 115 I N 2.695 123.295 120.570 0.050 0.000 2.330 115 I HA 0.255 4.426 4.170 0.002 0.000 0.289 115 I C -0.885 175.181 176.117 -0.084 0.000 1.001 115 I CA -0.553 60.783 61.300 0.060 0.000 1.193 115 I CB 1.068 39.132 38.000 0.107 0.000 1.345 115 I HN 0.338 nan 8.210 nan 0.000 0.461 116 L N 6.751 127.872 121.223 -0.171 0.000 2.331 116 L HA 0.225 4.566 4.340 0.002 0.000 0.278 116 L C 0.012 176.541 176.870 -0.569 0.000 1.106 116 L CA 0.035 54.711 54.840 -0.274 0.000 0.824 116 L CB 0.514 42.452 42.059 -0.203 0.000 1.142 116 L HN 0.595 nan 8.230 nan 0.000 0.443 117 D N 4.168 124.257 120.400 -0.517 0.000 2.340 117 D HA 0.333 4.974 4.640 0.002 0.000 0.251 117 D C -2.001 174.017 176.300 -0.470 0.000 1.080 117 D CA -1.834 51.749 54.000 -0.695 0.000 0.971 117 D CB 0.461 40.721 40.800 -0.900 0.000 1.137 117 D HN 0.274 nan 8.370 nan 0.000 0.475 118 P HA -0.208 nan 4.420 nan 0.000 0.218 118 P C 0.915 178.150 177.300 -0.109 0.000 1.146 118 P CA 1.296 64.322 63.100 -0.124 0.000 0.813 118 P CB -0.021 31.699 31.700 0.033 0.000 0.778 119 T N 0.210 114.665 114.554 -0.166 0.000 2.770 119 T HA -0.085 4.266 4.350 0.002 0.000 0.263 119 T C 1.373 176.014 174.700 -0.098 0.000 1.039 119 T CA 1.568 63.603 62.100 -0.109 0.000 1.142 119 T CB -0.723 68.069 68.868 -0.126 0.000 0.868 119 T HN 0.186 nan 8.240 nan 0.000 0.435 120 D N 1.165 121.480 120.400 -0.142 0.000 2.178 120 D HA -0.084 4.558 4.640 0.002 0.000 0.202 120 D C 2.141 178.408 176.300 -0.055 0.000 0.974 120 D CA 0.806 54.746 54.000 -0.100 0.000 0.841 120 D CB -0.319 40.404 40.800 -0.129 0.000 0.953 120 D HN 0.403 nan 8.370 nan 0.000 0.478 121 Q N -0.121 119.641 119.800 -0.062 0.000 2.050 121 Q HA -0.104 4.238 4.340 0.002 0.000 0.202 121 Q C 2.134 178.148 176.000 0.023 0.000 0.980 121 Q CA 0.667 56.481 55.803 0.018 0.000 0.840 121 Q CB -0.077 28.645 28.738 -0.028 0.000 0.898 121 Q HN 0.149 nan 8.270 nan 0.000 0.424 122 L N -0.211 121.004 121.223 -0.014 0.000 2.291 122 L HA -0.067 4.274 4.340 0.002 0.000 0.214 122 L C 2.083 178.954 176.870 0.002 0.000 1.120 122 L CA 1.209 56.043 54.840 -0.010 0.000 0.799 122 L CB -0.222 41.832 42.059 -0.007 0.000 0.925 122 L HN 0.056 nan 8.230 nan 0.000 0.446 123 S N -1.453 114.248 115.700 0.002 0.000 2.345 123 S HA -0.108 4.363 4.470 0.002 0.000 0.219 123 S C 1.852 176.465 174.600 0.022 0.000 1.031 123 S CA 1.306 59.508 58.200 0.005 0.000 0.984 123 S CB -0.157 63.038 63.200 -0.008 0.000 0.874 123 S HN 0.309 nan 8.310 nan 0.000 0.451 124 V N 1.819 121.758 119.914 0.042 0.000 2.392 124 V HA -0.201 3.920 4.120 0.002 0.000 0.249 124 V C 2.323 178.471 176.094 0.091 0.000 1.059 124 V CA 2.000 64.344 62.300 0.073 0.000 1.051 124 V CB -0.647 31.244 31.823 0.113 0.000 0.658 124 V HN 0.452 nan 8.190 nan 0.000 0.455 125 M N 0.501 120.143 119.600 0.070 0.000 2.064 125 M HA -0.137 4.344 4.480 0.002 0.000 0.260 125 M C 2.120 178.428 176.300 0.013 0.000 1.073 125 M CA 1.915 57.225 55.300 0.017 0.000 1.124 125 M CB -0.638 31.932 32.600 -0.050 0.000 1.326 125 M HN 0.112 nan 8.290 nan 0.000 0.410 126 K N -0.943 119.465 120.400 0.013 0.000 2.074 126 K HA -0.177 4.144 4.320 0.002 0.000 0.209 126 K C 1.855 178.468 176.600 0.021 0.000 1.048 126 K CA 2.131 58.428 56.287 0.017 0.000 0.926 126 K CB -0.677 31.833 32.500 0.016 0.000 0.713 126 K HN 0.470 nan 8.250 nan 0.000 0.444 127 T N 1.673 116.241 114.554 0.022 0.000 2.622 127 T HA -0.135 4.216 4.350 0.002 0.000 0.266 127 T C 1.935 176.649 174.700 0.022 0.000 1.047 127 T CA 1.413 63.526 62.100 0.021 0.000 1.159 127 T CB -0.289 68.591 68.868 0.020 0.000 0.863 127 T HN 0.142 nan 8.240 nan 0.000 0.422 128 I N 0.524 121.111 120.570 0.028 0.000 2.194 128 I HA -0.189 3.982 4.170 0.002 0.000 0.246 128 I C 2.212 178.337 176.117 0.015 0.000 1.093 128 I CA 0.925 62.240 61.300 0.024 0.000 1.355 128 I CB -0.357 37.666 38.000 0.040 0.000 1.046 128 I HN 0.152 nan 8.210 nan 0.000 0.413 129 L N 0.817 122.050 121.223 0.016 0.000 2.005 129 L HA -0.198 4.143 4.340 0.002 0.000 0.207 129 L C 2.486 179.378 176.870 0.036 0.000 1.072 129 L CA 1.834 56.689 54.840 0.026 0.000 0.744 129 L CB -1.032 41.048 42.059 0.035 0.000 0.895 129 L HN 0.172 nan 8.230 nan 0.000 0.433 130 K N 0.488 120.907 120.400 0.031 0.000 2.173 130 K HA -0.220 4.101 4.320 0.002 0.000 0.207 130 K C 1.377 177.993 176.600 0.027 0.000 1.046 130 K CA 1.799 58.103 56.287 0.029 0.000 0.929 130 K CB -0.145 32.368 32.500 0.022 0.000 0.720 130 K HN 0.460 nan 8.250 nan 0.000 0.453 131 E N -0.367 119.847 120.200 0.023 0.000 2.416 131 E HA 0.007 4.358 4.350 0.002 0.000 0.189 131 E C 0.457 177.071 176.600 0.023 0.000 1.091 131 E CA 0.225 56.637 56.400 0.020 0.000 0.889 131 E CB 0.321 30.030 29.700 0.015 0.000 1.015 131 E HN 0.342 nan 8.360 nan 0.000 0.479 132 K N -0.201 120.219 120.400 0.034 0.000 3.060 132 K HA 0.070 4.391 4.320 0.002 0.000 0.250 132 K C -0.163 176.482 176.600 0.075 0.000 2.263 132 K CA 0.001 56.314 56.287 0.044 0.000 1.402 132 K CB 0.242 32.759 32.500 0.029 0.000 2.541 132 K HN 0.028 nan 8.250 nan 0.000 0.469 133 N N 0.964 119.728 118.700 0.106 0.000 2.312 133 N HA 0.299 5.041 4.740 0.002 0.000 0.296 133 N C -0.715 174.880 175.510 0.141 0.000 1.193 133 N CA -0.827 52.321 53.050 0.164 0.000 0.773 133 N CB 1.645 40.333 38.487 0.335 0.000 1.435 133 N HN 0.203 nan 8.380 nan 0.000 0.484 134 I N 1.892 122.513 120.570 0.086 0.000 3.051 134 I HA -0.165 4.006 4.170 0.002 0.000 0.290 134 I C 0.385 176.519 176.117 0.029 0.000 1.166 134 I CA 0.282 61.597 61.300 0.025 0.000 1.479 134 I CB -0.235 37.746 38.000 -0.032 0.000 1.505 134 I HN 0.602 nan 8.210 nan 0.000 0.654 135 D N 7.854 128.292 120.400 0.065 0.000 2.192 135 D HA -0.204 4.437 4.640 0.002 0.000 0.189 135 D C -1.363 174.972 176.300 0.059 0.000 1.007 135 D CA 1.089 55.137 54.000 0.079 0.000 0.859 135 D CB -2.254 38.579 40.800 0.055 0.000 0.936 135 D HN 0.420 nan 8.370 nan 0.000 0.447 136 P HA -0.011 nan 4.420 nan 0.000 0.312 136 P C 0.067 177.352 177.300 -0.025 0.000 1.307 136 P CA -0.268 62.840 63.100 0.013 0.000 0.738 136 P CB 0.252 31.953 31.700 0.003 0.000 1.422 137 K N -0.100 120.279 120.400 -0.034 0.000 5.349 137 K HA -0.195 4.126 4.320 0.002 0.000 0.360 137 K C 0.040 176.567 176.600 -0.121 0.000 0.960 137 K CA 1.240 57.475 56.287 -0.088 0.000 1.134 137 K CB -1.854 30.555 32.500 -0.152 0.000 1.782 137 K HN 0.784 nan 8.250 nan 0.000 0.408 138 K N -0.210 120.212 120.400 0.037 0.000 1.888 138 K HA -0.294 4.028 4.320 0.002 0.000 0.330 138 K C 0.455 177.257 176.600 0.336 0.000 1.719 138 K CA 0.951 57.385 56.287 0.245 0.000 0.669 138 K CB -1.472 31.211 32.500 0.305 0.000 0.941 138 K HN 0.228 nan 8.250 nan 0.000 0.795 139 F N 0.941 120.957 119.950 0.110 0.000 2.843 139 F HA -0.231 4.298 4.527 0.002 0.000 0.220 139 F C 0.579 176.386 175.800 0.012 0.000 1.041 139 F CA 1.349 59.346 58.000 -0.005 0.000 0.784 139 F CB -2.255 36.733 39.000 -0.021 0.000 0.643 139 F HN 0.304 nan 8.300 nan 0.000 0.795 140 E N 2.161 122.498 120.200 0.229 0.000 2.217 140 E HA 0.029 4.380 4.350 0.002 0.000 0.279 140 E C -1.027 175.623 176.600 0.084 0.000 1.068 140 E CA -1.590 54.889 56.400 0.131 0.000 0.882 140 E CB 0.928 30.700 29.700 0.119 0.000 1.039 140 E HN -0.033 nan 8.360 nan 0.000 0.418 141 P HA -0.278 nan 4.420 nan 0.000 0.218 141 P C 0.873 178.167 177.300 -0.009 0.000 1.165 141 P CA 1.546 64.647 63.100 0.001 0.000 0.922 141 P CB 0.121 31.823 31.700 0.004 0.000 0.794 142 R N -1.112 119.399 120.500 0.020 0.000 2.127 142 R HA -0.085 4.256 4.340 0.002 0.000 0.238 142 R C 2.539 178.864 176.300 0.043 0.000 1.134 142 R CA 1.754 57.872 56.100 0.029 0.000 0.975 142 R CB -1.116 29.214 30.300 0.049 0.000 0.865 142 R HN 0.272 nan 8.270 nan 0.000 0.447 143 T N 1.082 115.676 114.554 0.067 0.000 2.812 143 T HA -0.009 4.342 4.350 0.002 0.000 0.264 143 T C 1.819 176.573 174.700 0.091 0.000 1.042 143 T CA 0.723 62.888 62.100 0.108 0.000 1.140 143 T CB 0.060 69.032 68.868 0.173 0.000 0.870 143 T HN 0.019 nan 8.240 nan 0.000 0.445 144 I N 1.433 122.016 120.570 0.021 0.000 2.179 144 I HA -0.084 4.088 4.170 0.002 0.000 0.242 144 I C 2.361 178.363 176.117 -0.191 0.000 1.088 144 I CA 1.242 62.479 61.300 -0.105 0.000 1.357 144 I CB -1.506 36.377 38.000 -0.195 0.000 1.051 144 I HN 0.282 nan 8.210 nan 0.000 0.409 145 L N 0.678 121.788 121.223 -0.188 0.000 2.042 145 L HA -0.174 4.167 4.340 0.002 0.000 0.210 145 L C 2.660 179.422 176.870 -0.181 0.000 1.076 145 L CA 1.635 56.322 54.840 -0.254 0.000 0.749 145 L CB -1.120 40.834 42.059 -0.175 0.000 0.893 145 L HN 0.323 nan 8.230 nan 0.000 0.432 146 G N -1.303 107.456 108.800 -0.068 0.000 2.408 146 G HA2 -0.214 3.747 3.960 0.002 0.000 0.217 146 G HA3 -0.214 3.747 3.960 0.002 0.000 0.217 146 G C 1.589 176.464 174.900 -0.040 0.000 1.150 146 G CA 1.193 46.289 45.100 -0.006 0.000 0.776 146 G HN 0.269 nan 8.290 nan 0.000 0.542 147 T N 1.170 115.688 114.554 -0.060 0.000 2.812 147 T HA 0.017 4.368 4.350 0.002 0.000 0.264 147 T C 2.380 176.901 174.700 -0.299 0.000 1.042 147 T CA 0.665 62.721 62.100 -0.073 0.000 1.140 147 T CB -0.134 68.751 68.868 0.029 0.000 0.870 147 T HN 0.225 nan 8.240 nan 0.000 0.445 148 I N 0.990 121.263 120.570 -0.495 0.000 2.361 148 I HA -0.166 4.005 4.170 0.002 0.000 0.251 148 I C 2.707 178.508 176.117 -0.528 0.000 1.133 148 I CA 0.801 61.596 61.300 -0.843 0.000 1.413 148 I CB -0.311 37.153 38.000 -0.893 0.000 1.073 148 I HN 0.246 nan 8.210 nan 0.000 0.424 149 S N 0.586 116.112 115.700 -0.289 0.000 2.345 149 S HA -0.139 4.333 4.470 0.002 0.000 0.219 149 S C 2.296 176.833 174.600 -0.106 0.000 1.031 149 S CA 1.293 59.405 58.200 -0.147 0.000 0.984 149 S CB -0.205 62.948 63.200 -0.078 0.000 0.874 149 S HN 0.453 nan 8.310 nan 0.000 0.451 150 A N 1.988 124.758 122.820 -0.083 0.000 1.873 150 A HA -0.002 4.320 4.320 0.002 0.000 0.218 150 A C 2.484 180.060 177.584 -0.014 0.000 1.193 150 A CA 2.363 54.384 52.037 -0.026 0.000 0.629 150 A CB -1.689 17.322 19.000 0.017 0.000 0.826 150 A HN 0.830 nan 8.150 nan 0.000 0.447 151 A N -0.181 122.609 122.820 -0.049 0.000 1.852 151 A HA -0.284 4.037 4.320 0.002 0.000 0.217 151 A C 2.092 179.698 177.584 0.038 0.000 1.215 151 A CA 2.225 54.281 52.037 0.031 0.000 0.641 151 A CB -0.747 18.190 19.000 -0.104 0.000 0.838 151 A HN 0.559 nan 8.150 nan 0.000 0.450 152 K N -0.424 119.966 120.400 -0.015 0.000 2.160 152 K HA -0.198 4.124 4.320 0.002 0.000 0.206 152 K C 1.757 178.367 176.600 0.017 0.000 1.047 152 K CA 1.674 57.981 56.287 0.033 0.000 0.930 152 K CB -0.429 32.088 32.500 0.028 0.000 0.720 152 K HN 0.654 nan 8.250 nan 0.000 0.450 153 N N 0.690 119.390 118.700 -0.001 0.000 2.309 153 N HA -0.129 4.612 4.740 0.002 0.000 0.182 153 N C 0.712 176.223 175.510 0.002 0.000 1.018 153 N CA 0.617 53.660 53.050 -0.011 0.000 0.876 153 N CB 0.145 38.620 38.487 -0.020 0.000 0.972 153 N HN 0.239 nan 8.380 nan 0.000 0.434 154 E N 0.843 121.059 120.200 0.027 0.000 2.437 154 E HA 0.163 4.514 4.350 0.002 0.000 0.195 154 E C -0.363 176.271 176.600 0.057 0.000 1.029 154 E CA -0.167 56.259 56.400 0.044 0.000 0.948 154 E CB 0.224 29.958 29.700 0.056 0.000 1.082 154 E HN 0.249 nan 8.360 nan 0.000 0.456 155 L N 1.205 122.457 121.223 0.048 0.000 3.660 155 L HA -0.212 4.129 4.340 0.002 0.000 0.440 155 L C -0.541 176.379 176.870 0.083 0.000 1.262 155 L CA -0.030 54.842 54.840 0.053 0.000 0.837 155 L CB -0.898 41.185 42.059 0.039 0.000 1.689 155 L HN 0.295 nan 8.230 nan 0.000 0.890 156 L N 3.238 124.535 121.223 0.123 0.000 2.321 156 L HA 0.526 4.867 4.340 0.002 0.000 0.272 156 L C -1.583 175.439 176.870 0.254 0.000 1.050 156 L CA -2.075 52.875 54.840 0.182 0.000 0.893 156 L CB 0.596 42.795 42.059 0.234 0.000 1.272 156 L HN -0.109 nan 8.230 nan 0.000 0.435 157 P HA 0.161 nan 4.420 nan 0.000 0.269 157 P C -2.169 175.150 177.300 0.031 0.000 1.209 157 P CA -1.056 62.098 63.100 0.090 0.000 0.776 157 P CB 0.200 31.912 31.700 0.021 0.000 0.876 158 P HA -0.249 nan 4.420 nan 0.000 0.215 158 P C 1.389 178.620 177.300 -0.115 0.000 1.163 158 P CA 1.979 64.711 63.100 -0.613 0.000 0.894 158 P CB -0.188 30.916 31.700 -0.992 0.000 0.791 159 E N 0.436 120.567 120.200 -0.114 0.000 2.208 159 E HA -0.251 4.100 4.350 0.002 0.000 0.202 159 E C 1.859 178.466 176.600 0.011 0.000 1.014 159 E CA 1.364 57.738 56.400 -0.043 0.000 0.819 159 E CB -0.957 28.714 29.700 -0.048 0.000 0.735 159 E HN 0.496 nan 8.360 nan 0.000 0.469 160 Q N -0.834 118.996 119.800 0.050 0.000 2.352 160 Q HA 0.118 4.460 4.340 0.002 0.000 0.212 160 Q C 1.537 177.597 176.000 0.100 0.000 0.888 160 Q CA -0.037 55.802 55.803 0.060 0.000 0.934 160 Q CB 0.089 28.862 28.738 0.057 0.000 1.093 160 Q HN 0.243 nan 8.270 nan 0.000 0.523 161 F N 1.211 121.188 119.950 0.046 0.000 2.259 161 F HA -0.022 4.506 4.527 0.002 0.000 0.298 161 F C 1.978 177.811 175.800 0.055 0.000 1.088 161 F CA 1.046 59.107 58.000 0.102 0.000 1.358 161 F CB -0.052 39.100 39.000 0.254 0.000 1.040 161 F HN 0.023 nan 8.300 nan 0.000 0.505 162 A N 0.875 123.784 122.820 0.148 0.000 1.851 162 A HA -0.251 4.070 4.320 0.002 0.000 0.216 162 A C 2.045 179.600 177.584 -0.048 0.000 1.195 162 A CA 1.940 54.008 52.037 0.052 0.000 0.622 162 A CB -0.844 18.184 19.000 0.047 0.000 0.831 162 A HN 0.443 nan 8.150 nan 0.000 0.444 163 K N -0.743 119.634 120.400 -0.038 0.000 2.643 163 K HA -0.010 4.311 4.320 0.002 0.000 0.193 163 K C 1.402 177.956 176.600 -0.077 0.000 1.027 163 K CA 0.646 56.906 56.287 -0.046 0.000 1.033 163 K CB -0.032 32.453 32.500 -0.025 0.000 0.827 163 K HN 0.424 nan 8.250 nan 0.000 0.500 164 R N 0.364 120.777 120.500 -0.145 0.000 2.566 164 R HA 0.196 4.537 4.340 0.002 0.000 0.388 164 R C -0.759 175.406 176.300 -0.225 0.000 0.989 164 R CA -0.064 55.935 56.100 -0.168 0.000 1.164 164 R CB 0.721 30.914 30.300 -0.179 0.000 1.459 164 R HN 0.063 nan 8.270 nan 0.000 0.553 165 A N 1.284 123.969 122.820 -0.226 0.000 2.491 165 A HA 0.274 4.596 4.320 0.002 0.000 0.261 165 A C -0.244 177.294 177.584 -0.075 0.000 1.101 165 A CA 0.250 52.174 52.037 -0.188 0.000 0.772 165 A CB 0.416 19.343 19.000 -0.122 0.000 1.043 165 A HN 0.279 nan 8.150 nan 0.000 0.501 166 S N 2.798 118.472 115.700 -0.043 0.000 2.415 166 S HA 0.433 4.904 4.470 0.002 0.000 0.313 166 S C 0.155 174.792 174.600 0.062 0.000 1.067 166 S CA 0.225 58.429 58.200 0.007 0.000 1.099 166 S CB -0.080 63.123 63.200 0.004 0.000 0.991 166 S HN 1.329 nan 8.310 nan 0.000 0.491 167 T N 1.768 116.368 114.554 0.077 0.000 0.551 167 T HA -0.280 4.071 4.350 0.002 0.000 0.773 167 T C -0.040 174.804 174.700 0.240 0.000 0.992 167 T CA 0.088 62.274 62.100 0.143 0.000 4.071 167 T CB -1.352 67.594 68.868 0.129 0.000 2.300 167 T HN 0.680 nan 8.240 nan 0.000 0.398 168 Y N 2.275 122.641 120.300 0.109 0.000 3.223 168 Y HA -0.289 4.263 4.550 0.002 0.000 0.392 168 Y C 1.364 177.415 175.900 0.252 0.000 1.251 168 Y CA 2.133 60.331 58.100 0.163 0.000 1.342 168 Y CB -0.811 37.762 38.460 0.188 0.000 1.195 168 Y HN 1.372 nan 8.280 nan 0.000 0.502 169 Y N -1.120 119.140 120.300 -0.066 0.000 2.720 169 Y HA -0.514 4.037 4.550 0.002 0.000 0.481 169 Y C 2.045 177.905 175.900 -0.066 0.000 1.080 169 Y CA 2.592 60.686 58.100 -0.010 0.000 2.975 169 Y CB -1.508 37.066 38.460 0.191 0.000 1.020 169 Y HN 0.785 nan 8.280 nan 0.000 0.585 170 E N 0.225 120.648 120.200 0.371 0.000 2.233 170 E HA -0.267 4.084 4.350 0.002 0.000 0.199 170 E C 1.831 178.497 176.600 0.111 0.000 1.004 170 E CA 1.866 58.428 56.400 0.270 0.000 0.819 170 E CB -0.195 29.582 29.700 0.127 0.000 0.738 170 E HN 0.422 nan 8.360 nan 0.000 0.478 171 K N 0.010 120.386 120.400 -0.040 0.000 2.202 171 K HA -0.002 4.319 4.320 0.002 0.000 0.201 171 K C 1.975 178.441 176.600 -0.224 0.000 1.051 171 K CA 0.435 56.658 56.287 -0.107 0.000 0.977 171 K CB -0.159 32.261 32.500 -0.133 0.000 0.792 171 K HN -0.093 nan 8.250 nan 0.000 0.469 172 V N 0.306 119.943 119.914 -0.462 0.000 2.295 172 V HA -0.203 3.918 4.120 0.002 0.000 0.246 172 V C 2.219 178.016 176.094 -0.496 0.000 1.049 172 V CA 1.735 63.663 62.300 -0.621 0.000 1.024 172 V CB -0.492 30.618 31.823 -1.188 0.000 0.648 172 V HN 0.046 nan 8.190 nan 0.000 0.447 173 V N -0.277 119.333 119.914 -0.507 0.000 2.407 173 V HA -0.247 3.874 4.120 0.002 0.000 0.248 173 V C 2.669 178.704 176.094 -0.099 0.000 1.055 173 V CA 2.264 64.348 62.300 -0.359 0.000 1.049 173 V CB -0.590 31.034 31.823 -0.332 0.000 0.662 173 V HN 0.602 nan 8.190 nan 0.000 0.455 174 S N -0.510 115.259 115.700 0.115 0.000 2.399 174 S HA -0.232 4.239 4.470 0.002 0.000 0.231 174 S C 1.628 176.268 174.600 0.067 0.000 1.022 174 S CA 1.884 60.249 58.200 0.274 0.000 0.983 174 S CB -0.318 63.069 63.200 0.312 0.000 0.803 174 S HN 0.704 nan 8.310 nan 0.000 0.480 175 D N -0.749 119.629 120.400 -0.037 0.000 2.339 175 D HA 0.150 4.791 4.640 0.002 0.000 0.217 175 D C 1.340 177.602 176.300 -0.065 0.000 1.050 175 D CA 0.197 54.163 54.000 -0.057 0.000 0.856 175 D CB 0.458 41.211 40.800 -0.078 0.000 0.922 175 D HN 0.248 nan 8.370 nan 0.000 0.518 176 V N 0.219 120.083 119.914 -0.083 0.000 3.263 176 V HA -0.057 4.064 4.120 0.002 0.000 0.248 176 V C 1.561 177.670 176.094 0.025 0.000 1.145 176 V CA 0.392 62.651 62.300 -0.069 0.000 1.107 176 V CB -0.250 31.476 31.823 -0.161 0.000 0.797 176 V HN 0.268 nan 8.190 nan 0.000 0.467 177 Y N 1.649 121.856 120.300 -0.154 0.000 2.314 177 Y HA -0.128 4.423 4.550 0.003 0.000 0.293 177 Y C 2.503 178.389 175.900 -0.023 0.000 1.129 177 Y CA 1.770 59.787 58.100 -0.138 0.000 1.201 177 Y CB -0.375 37.890 38.460 -0.326 0.000 0.999 177 Y HN 0.358 nan 8.280 nan 0.000 0.541 178 Q N 0.168 119.906 119.800 -0.103 0.000 2.167 178 Q HA -0.221 4.121 4.340 0.002 0.000 0.202 178 Q C 1.871 177.823 176.000 -0.080 0.000 0.970 178 Q CA 1.912 57.608 55.803 -0.180 0.000 0.855 178 Q CB -0.042 28.618 28.738 -0.131 0.000 0.911 178 Q HN 0.524 nan 8.270 nan 0.000 0.438 179 E N -0.389 119.803 120.200 -0.012 0.000 2.170 179 E HA -0.169 4.183 4.350 0.002 0.000 0.191 179 E C 1.716 178.336 176.600 0.034 0.000 0.981 179 E CA 0.929 57.328 56.400 -0.001 0.000 0.830 179 E CB -0.534 29.169 29.700 0.005 0.000 0.775 179 E HN 0.515 nan 8.360 nan 0.000 0.470 180 Y N 0.651 120.932 120.300 -0.031 0.000 2.242 180 Y HA -0.127 4.424 4.550 0.003 0.000 0.291 180 Y C 1.981 177.871 175.900 -0.016 0.000 1.137 180 Y CA 1.696 59.788 58.100 -0.012 0.000 1.181 180 Y CB 0.009 38.482 38.460 0.022 0.000 0.989 180 Y HN 0.042 nan 8.280 nan 0.000 0.527 181 Q N 0.434 120.226 119.800 -0.012 0.000 2.297 181 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 181 Q C 2.007 177.898 176.000 -0.183 0.000 0.962 181 Q CA 1.478 57.200 55.803 -0.134 0.000 0.879 181 Q CB -0.092 28.587 28.738 -0.098 0.000 0.947 181 Q HN 0.703 nan 8.270 nan 0.000 0.462 182 Q N -0.571 119.142 119.800 -0.146 0.000 2.089 182 Q HA 0.002 4.343 4.340 0.002 0.000 0.195 182 Q C 2.116 178.026 176.000 -0.151 0.000 0.963 182 Q CA 0.449 56.170 55.803 -0.136 0.000 0.834 182 Q CB 0.048 28.726 28.738 -0.100 0.000 0.906 182 Q HN 0.198 nan 8.270 nan 0.000 0.452 183 R N 0.296 120.709 120.500 -0.145 0.000 2.083 183 R HA -0.177 4.165 4.340 0.002 0.000 0.237 183 R C 2.185 178.376 176.300 -0.182 0.000 1.137 183 R CA 1.199 57.217 56.100 -0.136 0.000 0.951 183 R CB -0.292 29.942 30.300 -0.109 0.000 0.851 183 R HN 0.117 nan 8.270 nan 0.000 0.434 184 L N 0.187 121.242 121.223 -0.280 0.000 2.012 184 L HA -0.196 4.145 4.340 0.002 0.000 0.210 184 L C 2.130 178.873 176.870 -0.213 0.000 1.073 184 L CA 1.535 56.207 54.840 -0.280 0.000 0.748 184 L CB -0.466 41.344 42.059 -0.415 0.000 0.891 184 L HN 0.160 nan 8.230 nan 0.000 0.431 185 L N -1.470 119.618 121.223 -0.225 0.000 2.275 185 L HA -0.155 4.187 4.340 0.002 0.000 0.215 185 L C 2.577 179.256 176.870 -0.318 0.000 1.119 185 L CA 1.173 55.863 54.840 -0.250 0.000 0.790 185 L CB -0.236 41.697 42.059 -0.210 0.000 0.919 185 L HN 0.135 nan 8.230 nan 0.000 0.443 186 R N -0.875 119.490 120.500 -0.224 0.000 2.080 186 R HA 0.046 4.387 4.340 0.002 0.000 0.222 186 R C 1.265 177.481 176.300 -0.140 0.000 1.107 186 R CA 0.710 56.698 56.100 -0.186 0.000 0.980 186 R CB 0.013 30.254 30.300 -0.099 0.000 0.879 186 R HN 0.299 nan 8.270 nan 0.000 0.439 187 N N 0.918 119.563 118.700 -0.092 0.000 2.421 187 N HA -0.051 4.691 4.740 0.002 0.000 0.201 187 N C -0.722 174.832 175.510 0.074 0.000 1.198 187 N CA 0.378 53.429 53.050 0.002 0.000 0.838 187 N CB 0.031 38.509 38.487 -0.015 0.000 1.011 187 N HN 0.256 nan 8.380 nan 0.000 0.463 188 H N -0.247 118.819 119.070 -0.007 0.000 2.394 188 H HA -0.138 4.418 4.556 0.001 0.000 0.322 188 H C -0.487 174.890 175.328 0.082 0.000 1.012 188 H CA 0.587 56.654 56.048 0.031 0.000 1.084 188 H CB -1.313 28.483 29.762 0.056 0.000 1.597 188 H HN 0.099 nan 8.280 nan 0.000 0.375 189 S N 0.753 116.493 115.700 0.066 0.000 2.548 189 S HA 0.674 5.146 4.470 0.002 0.000 0.286 189 S C -0.223 174.377 174.600 -0.000 0.000 1.098 189 S CA -0.838 57.412 58.200 0.084 0.000 0.930 189 S CB 2.660 65.860 63.200 0.001 0.000 1.070 189 S HN 0.183 nan 8.310 nan 0.000 0.480 190 L N 2.637 123.901 121.223 0.069 0.000 2.341 190 L HA 0.622 4.963 4.340 0.002 0.000 0.267 190 L C -0.631 176.236 176.870 -0.005 0.000 1.009 190 L CA -0.492 54.341 54.840 -0.012 0.000 0.819 190 L CB 1.831 43.858 42.059 -0.054 0.000 1.323 190 L HN 0.735 nan 8.230 nan 0.000 0.425 191 D N -0.390 119.997 120.400 -0.022 0.000 2.384 191 D HA 0.270 4.912 4.640 0.002 0.000 0.250 191 D C 0.888 177.236 176.300 0.080 0.000 1.029 191 D CA -0.567 53.392 54.000 -0.069 0.000 0.990 191 D CB 0.444 41.237 40.800 -0.012 0.000 1.175 191 D HN 0.213 nan 8.370 nan 0.000 0.532 192 F N 0.397 120.379 119.950 0.053 0.000 2.115 192 F HA -0.166 4.363 4.527 0.002 0.000 0.300 192 F C 1.849 177.735 175.800 0.144 0.000 1.092 192 F CA 1.314 59.338 58.000 0.041 0.000 1.245 192 F CB -0.848 38.086 39.000 -0.110 0.000 0.995 192 F HN 0.327 nan 8.300 nan 0.000 0.481 193 D N -0.161 120.404 120.400 0.275 0.000 2.144 193 D HA -0.138 4.504 4.640 0.002 0.000 0.200 193 D C 1.921 178.290 176.300 0.115 0.000 0.978 193 D CA 1.206 55.312 54.000 0.176 0.000 0.833 193 D CB -0.419 40.443 40.800 0.102 0.000 0.961 193 D HN 0.254 nan 8.370 nan 0.000 0.470 194 D N 0.594 121.053 120.400 0.099 0.000 2.097 194 D HA -0.074 4.567 4.640 0.002 0.000 0.195 194 D C 2.245 178.547 176.300 0.004 0.000 0.989 194 D CA 0.306 54.322 54.000 0.026 0.000 0.827 194 D CB -0.231 40.560 40.800 -0.015 0.000 0.966 194 D HN 0.238 nan 8.370 nan 0.000 0.456 195 L N 0.506 121.780 121.223 0.086 0.000 2.563 195 L HA -0.175 4.166 4.340 0.002 0.000 0.230 195 L C 1.751 178.618 176.870 -0.005 0.000 1.162 195 L CA 0.405 55.298 54.840 0.088 0.000 0.812 195 L CB -0.230 41.990 42.059 0.268 0.000 0.935 195 L HN 0.121 nan 8.230 nan 0.000 0.451 196 I N -1.939 118.606 120.570 -0.042 0.000 3.971 196 I HA -0.038 4.133 4.170 0.002 0.000 0.303 196 I C 2.053 178.094 176.117 -0.127 0.000 1.233 196 I CA 0.786 62.007 61.300 -0.131 0.000 1.346 196 I CB -0.347 37.532 38.000 -0.202 0.000 1.273 196 I HN 0.242 nan 8.210 nan 0.000 0.448 197 M N 0.627 120.178 119.600 -0.082 0.000 2.288 197 M HA -0.101 4.380 4.480 0.002 0.000 0.266 197 M C 1.869 178.112 176.300 -0.095 0.000 1.072 197 M CA 1.427 56.686 55.300 -0.067 0.000 1.132 197 M CB 0.012 32.600 32.600 -0.020 0.000 1.386 197 M HN 0.086 nan 8.290 nan 0.000 0.432 198 T N -0.193 114.290 114.554 -0.118 0.000 2.942 198 T HA -0.059 4.292 4.350 0.002 0.000 0.265 198 T C 1.576 176.146 174.700 -0.216 0.000 1.062 198 T CA 1.668 63.675 62.100 -0.154 0.000 1.139 198 T CB -0.216 68.542 68.868 -0.184 0.000 0.883 198 T HN 0.398 nan 8.240 nan 0.000 0.468 199 T N 2.215 116.609 114.554 -0.266 0.000 2.720 199 T HA -0.010 4.341 4.350 0.002 0.000 0.268 199 T C 1.899 176.220 174.700 -0.632 0.000 1.037 199 T CA 0.989 62.810 62.100 -0.466 0.000 1.144 199 T CB -0.392 68.202 68.868 -0.457 0.000 0.864 199 T HN 0.285 nan 8.240 nan 0.000 0.444 200 I N 0.889 121.240 120.570 -0.364 0.000 2.394 200 I HA -0.167 4.005 4.170 0.002 0.000 0.251 200 I C 2.719 178.778 176.117 -0.097 0.000 1.136 200 I CA 1.176 62.363 61.300 -0.187 0.000 1.425 200 I CB -0.303 37.654 38.000 -0.071 0.000 1.079 200 I HN 0.289 nan 8.210 nan 0.000 0.425 201 Q N 0.623 120.353 119.800 -0.115 0.000 2.172 201 Q HA -0.221 4.120 4.340 0.002 0.000 0.200 201 Q C 2.235 178.204 176.000 -0.052 0.000 0.964 201 Q CA 1.316 57.080 55.803 -0.064 0.000 0.855 201 Q CB -0.002 28.692 28.738 -0.073 0.000 0.918 201 Q HN 0.436 nan 8.270 nan 0.000 0.444 202 L N -0.001 121.154 121.223 -0.112 0.000 2.056 202 L HA -0.085 4.256 4.340 0.002 0.000 0.207 202 L C 1.816 178.756 176.870 0.116 0.000 1.078 202 L CA 1.630 56.444 54.840 -0.043 0.000 0.749 202 L CB -0.662 41.330 42.059 -0.110 0.000 0.901 202 L HN 0.210 nan 8.230 nan 0.000 0.433 203 F N 0.186 120.134 119.950 -0.003 0.000 2.171 203 F HA -0.145 4.383 4.527 0.001 0.000 0.300 203 F C 2.215 177.995 175.800 -0.034 0.000 1.090 203 F CA 1.094 59.087 58.000 -0.011 0.000 1.293 203 F CB -1.135 37.866 39.000 0.002 0.000 1.013 203 F HN 0.219 nan 8.300 nan 0.000 0.486 204 D N -0.948 119.551 120.400 0.165 0.000 2.355 204 D HA -0.041 4.601 4.640 0.002 0.000 0.218 204 D C 2.253 178.579 176.300 0.044 0.000 1.004 204 D CA 0.451 54.499 54.000 0.081 0.000 0.880 204 D CB 0.049 40.883 40.800 0.058 0.000 0.911 204 D HN 0.061 nan 8.370 nan 0.000 0.528 205 R N 0.160 120.686 120.500 0.044 0.000 2.250 205 R HA 0.115 4.456 4.340 0.002 0.000 0.194 205 R C -0.148 176.164 176.300 0.020 0.000 0.927 205 R CA 0.334 56.448 56.100 0.023 0.000 1.052 205 R CB 0.721 31.028 30.300 0.012 0.000 1.055 205 R HN -0.008 nan 8.270 nan 0.000 0.537 206 V N 0.124 120.059 119.914 0.035 0.000 2.538 206 V HA 0.498 4.619 4.120 0.002 0.000 0.265 206 V C -2.540 173.548 176.094 -0.009 0.000 0.977 206 V CA -1.846 60.463 62.300 0.015 0.000 0.852 206 V CB 1.979 33.819 31.823 0.029 0.000 1.058 206 V HN -0.015 nan 8.190 nan 0.000 0.462 207 P HA -0.069 nan 4.420 nan 0.000 0.220 207 P C 1.000 177.965 177.300 -0.557 0.000 1.144 207 P CA 1.341 64.225 63.100 -0.360 0.000 0.800 207 P CB 0.264 31.739 31.700 -0.375 0.000 0.772 208 D N -1.166 119.091 120.400 -0.240 0.000 2.178 208 D HA -0.079 4.563 4.640 0.002 0.000 0.202 208 D C 1.909 178.166 176.300 -0.073 0.000 0.974 208 D CA 0.881 54.813 54.000 -0.113 0.000 0.841 208 D CB -0.290 40.495 40.800 -0.025 0.000 0.953 208 D HN 0.029 nan 8.370 nan 0.000 0.478 209 V N 1.072 120.974 119.914 -0.021 0.000 2.453 209 V HA -0.177 3.944 4.120 0.002 0.000 0.247 209 V C 2.349 178.492 176.094 0.082 0.000 1.048 209 V CA 0.852 63.218 62.300 0.110 0.000 1.049 209 V CB -0.236 31.765 31.823 0.296 0.000 0.672 209 V HN 0.137 nan 8.190 nan 0.000 0.457 210 L N 0.093 121.172 121.223 -0.239 0.000 2.023 210 L HA -0.130 4.211 4.340 0.002 0.000 0.205 210 L C 2.351 179.031 176.870 -0.318 0.000 1.073 210 L CA 2.082 56.467 54.840 -0.759 0.000 0.745 210 L CB -1.086 40.508 42.059 -0.775 0.000 0.900 210 L HN 0.424 nan 8.230 nan 0.000 0.435 211 H N -2.380 116.548 119.070 -0.238 0.000 2.390 211 H HA -0.255 4.302 4.556 0.002 0.000 0.298 211 H C 1.956 177.013 175.328 -0.451 0.000 1.106 211 H CA 1.617 57.517 56.048 -0.248 0.000 1.297 211 H CB -0.204 29.470 29.762 -0.147 0.000 1.375 211 H HN 0.525 nan 8.280 nan 0.000 0.509 212 Y N 0.944 121.020 120.300 -0.374 0.000 2.049 212 Y HA -0.360 4.192 4.550 0.003 0.000 0.277 212 Y C 1.944 177.479 175.900 -0.608 0.000 1.143 212 Y CA 1.614 59.363 58.100 -0.585 0.000 1.115 212 Y CB -0.850 37.267 38.460 -0.572 0.000 0.975 212 Y HN 0.090 nan 8.280 nan 0.000 0.487 213 Y N 1.048 121.108 120.300 -0.400 0.000 2.256 213 Y HA -0.268 4.283 4.550 0.002 0.000 0.288 213 Y C 2.645 178.322 175.900 -0.371 0.000 1.155 213 Y CA 1.798 59.576 58.100 -0.537 0.000 1.203 213 Y CB -0.846 37.508 38.460 -0.177 0.000 0.980 213 Y HN 0.313 nan 8.280 nan 0.000 0.530 214 Q N -0.698 119.022 119.800 -0.135 0.000 2.152 214 Q HA -0.216 4.125 4.340 0.002 0.000 0.206 214 Q C 0.356 176.389 176.000 0.057 0.000 0.985 214 Q CA 1.867 57.653 55.803 -0.029 0.000 0.863 214 Q CB -0.341 28.366 28.738 -0.053 0.000 0.904 214 Q HN 0.823 nan 8.270 nan 0.000 0.422 215 Y N -2.306 117.940 120.300 -0.090 0.000 2.617 215 Y HA 0.474 5.025 4.550 0.002 0.000 0.328 215 Y C 0.705 176.606 175.900 0.002 0.000 0.946 215 Y CA -0.728 57.425 58.100 0.088 0.000 1.241 215 Y CB 0.193 38.636 38.460 -0.029 0.000 1.226 215 Y HN -0.237 nan 8.280 nan 0.000 0.582 216 K N 0.285 120.614 120.400 -0.118 0.000 2.474 216 K HA 0.223 4.544 4.320 0.002 0.000 0.204 216 K C -1.066 175.455 176.600 -0.131 0.000 1.220 216 K CA 0.264 56.363 56.287 -0.314 0.000 0.966 216 K CB 0.301 32.244 32.500 -0.929 0.000 1.049 216 K HN 0.283 nan 8.250 nan 0.000 0.554 217 F N 3.016 123.013 119.950 0.079 0.000 2.318 217 F HA 0.420 4.948 4.527 0.002 0.000 0.356 217 F C 1.492 177.323 175.800 0.053 0.000 1.109 217 F CA -0.612 57.424 58.000 0.061 0.000 1.234 217 F CB 1.185 40.187 39.000 0.002 0.000 1.545 217 F HN -0.045 nan 8.300 nan 0.000 0.534 218 Q N 0.919 120.783 119.800 0.106 0.000 2.079 218 Q HA -0.107 4.235 4.340 0.002 0.000 0.200 218 Q C -0.387 175.266 176.000 -0.578 0.000 0.974 218 Q CA 1.390 56.952 55.803 -0.402 0.000 0.840 218 Q CB 0.151 28.579 28.738 -0.517 0.000 0.898 218 Q HN 0.442 nan 8.270 nan 0.000 0.430 219 Y N -0.339 119.928 120.300 -0.054 0.000 2.331 219 Y HA 0.416 4.968 4.550 0.002 0.000 0.334 219 Y C -0.443 175.404 175.900 -0.088 0.000 0.960 219 Y CA -0.600 57.441 58.100 -0.098 0.000 1.130 219 Y CB 1.180 39.588 38.460 -0.087 0.000 1.164 219 Y HN -0.072 nan 8.280 nan 0.000 0.458 220 I N 4.550 125.065 120.570 -0.092 0.000 2.362 220 I HA 0.323 4.494 4.170 0.002 0.000 0.289 220 I C -0.551 175.424 176.117 -0.236 0.000 0.994 220 I CA -0.625 60.597 61.300 -0.129 0.000 1.158 220 I CB 1.007 38.938 38.000 -0.116 0.000 1.315 220 I HN 0.573 nan 8.210 nan 0.000 0.451 221 H N 7.054 126.097 119.070 -0.044 0.000 2.469 221 H HA 0.581 5.139 4.556 0.002 0.000 0.342 221 H C -0.842 174.451 175.328 -0.058 0.000 1.115 221 H CA -0.665 55.361 56.048 -0.036 0.000 1.204 221 H CB 3.203 32.956 29.762 -0.015 0.000 1.492 221 H HN 0.515 nan 8.280 nan 0.000 0.499 222 I N 2.424 123.052 120.570 0.097 0.000 2.512 222 I HA 0.212 4.384 4.170 0.002 0.000 0.287 222 I C -1.014 175.223 176.117 0.200 0.000 1.069 222 I CA -0.658 60.705 61.300 0.104 0.000 1.056 222 I CB 1.655 39.760 38.000 0.175 0.000 1.229 222 I HN 0.413 nan 8.210 nan 0.000 0.429 223 D N 5.254 125.769 120.400 0.192 0.000 2.387 223 D HA 0.181 4.822 4.640 0.002 0.000 0.251 223 D C 0.097 176.604 176.300 0.346 0.000 1.141 223 D CA 0.678 54.812 54.000 0.222 0.000 0.987 223 D CB 0.906 41.810 40.800 0.174 0.000 1.116 223 D HN 0.575 nan 8.370 nan 0.000 0.491 224 E N 0.774 121.095 120.200 0.202 0.000 2.294 224 E HA -0.303 4.048 4.350 0.002 0.000 0.228 224 E C 0.547 177.207 176.600 0.100 0.000 1.253 224 E CA 0.339 56.764 56.400 0.042 0.000 0.716 224 E CB -2.000 27.541 29.700 -0.265 0.000 1.184 224 E HN 0.549 nan 8.360 nan 0.000 0.374 225 Y N 1.003 121.384 120.300 0.135 0.000 2.465 225 Y HA -0.237 4.314 4.550 0.002 0.000 0.289 225 Y C 2.144 178.128 175.900 0.140 0.000 1.150 225 Y CA 2.250 60.472 58.100 0.203 0.000 1.293 225 Y CB 0.215 38.775 38.460 0.166 0.000 0.977 225 Y HN 0.247 nan 8.280 nan 0.000 0.556 226 Q N -1.386 118.451 119.800 0.062 0.000 2.444 226 Q HA 0.006 4.347 4.340 0.002 0.000 0.206 226 Q C 0.458 176.406 176.000 -0.086 0.000 0.948 226 Q CA 1.099 56.904 55.803 0.003 0.000 0.946 226 Q CB -0.055 28.706 28.738 0.038 0.000 1.027 226 Q HN 0.302 nan 8.270 nan 0.000 0.513 227 D N 0.521 120.794 120.400 -0.213 0.000 2.398 227 D HA 0.023 4.664 4.640 0.002 0.000 0.210 227 D C -0.323 175.892 176.300 -0.140 0.000 1.094 227 D CA 0.278 54.098 54.000 -0.300 0.000 0.839 227 D CB 0.375 40.742 40.800 -0.723 0.000 0.963 227 D HN 0.272 nan 8.370 nan 0.000 0.506 228 T N 0.768 115.311 114.554 -0.020 0.000 2.752 228 T HA 0.264 4.615 4.350 0.002 0.000 0.295 228 T C 0.604 175.287 174.700 -0.029 0.000 0.923 228 T CA -0.892 61.260 62.100 0.087 0.000 1.112 228 T CB 0.686 69.532 68.868 -0.036 0.000 0.884 228 T HN 0.022 nan 8.240 nan 0.000 0.525 229 N N 2.514 121.196 118.700 -0.031 0.000 2.374 229 N HA 0.260 5.001 4.740 0.002 0.000 0.284 229 N C 1.194 176.704 175.510 -0.001 0.000 1.280 229 N CA -1.033 51.995 53.050 -0.037 0.000 0.963 229 N CB 0.411 38.870 38.487 -0.045 0.000 1.141 229 N HN 0.367 nan 8.380 nan 0.000 0.565 230 R N -0.699 119.810 120.500 0.015 0.000 2.083 230 R HA -0.016 4.325 4.340 0.002 0.000 0.237 230 R C 1.912 178.262 176.300 0.083 0.000 1.137 230 R CA 2.060 58.209 56.100 0.082 0.000 0.951 230 R CB -1.262 29.070 30.300 0.053 0.000 0.851 230 R HN 0.736 nan 8.270 nan 0.000 0.434 231 A N 0.140 122.954 122.820 -0.010 0.000 1.858 231 A HA -0.223 4.098 4.320 0.002 0.000 0.216 231 A C 2.114 179.610 177.584 -0.146 0.000 1.190 231 A CA 1.750 53.749 52.037 -0.064 0.000 0.617 231 A CB -0.615 18.327 19.000 -0.096 0.000 0.827 231 A HN 0.541 nan 8.150 nan 0.000 0.443 232 Q N -2.057 117.564 119.800 -0.297 0.000 2.124 232 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 232 Q C 1.961 177.886 176.000 -0.126 0.000 0.977 232 Q CA 1.841 57.275 55.803 -0.614 0.000 0.850 232 Q CB -0.373 27.694 28.738 -1.119 0.000 0.901 232 Q HN 0.884 nan 8.270 nan 0.000 0.429 233 Y N 0.534 120.787 120.300 -0.079 0.000 2.314 233 Y HA -0.111 4.441 4.550 0.002 0.000 0.293 233 Y C 2.021 177.988 175.900 0.111 0.000 1.129 233 Y CA 1.450 59.592 58.100 0.070 0.000 1.201 233 Y CB -0.071 38.403 38.460 0.023 0.000 0.999 233 Y HN -0.085 nan 8.280 nan 0.000 0.541 234 T N 1.122 115.593 114.554 -0.139 0.000 2.896 234 T HA -0.100 4.251 4.350 0.002 0.000 0.263 234 T C 1.742 176.395 174.700 -0.078 0.000 1.050 234 T CA 1.232 63.229 62.100 -0.171 0.000 1.140 234 T CB -0.441 68.429 68.868 0.002 0.000 0.877 234 T HN 0.346 nan 8.240 nan 0.000 0.457 235 L N 1.182 122.400 121.223 -0.009 0.000 2.017 235 L HA 0.031 4.372 4.340 0.002 0.000 0.208 235 L C 2.406 179.360 176.870 0.140 0.000 1.073 235 L CA 1.528 56.420 54.840 0.086 0.000 0.745 235 L CB -0.834 41.258 42.059 0.055 0.000 0.894 235 L HN 0.024 nan 8.230 nan 0.000 0.432 236 V N 0.059 120.071 119.914 0.163 0.000 2.343 236 V HA -0.275 3.846 4.120 0.002 0.000 0.247 236 V C 2.813 178.972 176.094 0.107 0.000 1.051 236 V CA 1.888 64.295 62.300 0.179 0.000 1.036 236 V CB -0.626 31.388 31.823 0.318 0.000 0.654 236 V HN 0.497 nan 8.190 nan 0.000 0.451 237 K N 0.119 120.522 120.400 0.004 0.000 2.103 237 K HA -0.213 4.108 4.320 0.002 0.000 0.207 237 K C 2.122 178.725 176.600 0.005 0.000 1.048 237 K CA 1.679 57.937 56.287 -0.048 0.000 0.930 237 K CB -0.157 32.149 32.500 -0.324 0.000 0.716 237 K HN 0.480 nan 8.250 nan 0.000 0.444 238 K N 0.127 120.543 120.400 0.026 0.000 2.167 238 K HA 0.012 4.333 4.320 0.002 0.000 0.203 238 K C 2.253 178.875 176.600 0.038 0.000 1.052 238 K CA 0.529 56.838 56.287 0.037 0.000 0.956 238 K CB 0.009 32.558 32.500 0.081 0.000 0.735 238 K HN 0.078 nan 8.250 nan 0.000 0.451 239 L N 0.589 121.861 121.223 0.082 0.000 2.093 239 L HA -0.118 4.223 4.340 0.002 0.000 0.208 239 L C 2.288 179.230 176.870 0.122 0.000 1.085 239 L CA 1.008 55.913 54.840 0.108 0.000 0.755 239 L CB -0.347 41.784 42.059 0.120 0.000 0.904 239 L HN 0.163 nan 8.230 nan 0.000 0.435 240 A N -1.111 121.774 122.820 0.109 0.000 2.251 240 A HA -0.069 4.253 4.320 0.002 0.000 0.209 240 A C 1.970 179.623 177.584 0.115 0.000 1.187 240 A CA 0.216 52.329 52.037 0.127 0.000 0.823 240 A CB -0.263 18.816 19.000 0.131 0.000 0.846 240 A HN 0.359 nan 8.150 nan 0.000 0.486 241 E N 0.555 120.797 120.200 0.070 0.000 2.108 241 E HA -0.321 4.031 4.350 0.002 0.000 0.203 241 E C 2.185 178.777 176.600 -0.014 0.000 1.022 241 E CA 2.134 58.550 56.400 0.026 0.000 0.823 241 E CB -0.078 29.625 29.700 0.004 0.000 0.744 241 E HN 0.804 nan 8.360 nan 0.000 0.456 242 R N -1.263 119.194 120.500 -0.072 0.000 2.140 242 R HA -0.002 4.339 4.340 0.002 0.000 0.213 242 R C 1.694 177.829 176.300 -0.275 0.000 1.059 242 R CA 1.069 57.038 56.100 -0.219 0.000 1.000 242 R CB -0.166 29.917 30.300 -0.362 0.000 0.910 242 R HN 0.076 nan 8.270 nan 0.000 0.455 243 F N 0.957 120.898 119.950 -0.015 0.000 2.582 243 F HA 0.257 4.785 4.527 0.002 0.000 0.290 243 F C 0.685 176.451 175.800 -0.057 0.000 1.115 243 F CA 0.185 58.148 58.000 -0.062 0.000 1.445 243 F CB 0.364 39.290 39.000 -0.124 0.000 1.126 243 F HN -0.047 nan 8.300 nan 0.000 0.574 244 Q N -0.547 119.348 119.800 0.159 0.000 2.416 244 Q HA -0.239 4.103 4.340 0.002 0.000 0.235 244 Q C -0.585 175.428 176.000 0.021 0.000 0.773 244 Q CA 0.670 56.545 55.803 0.120 0.000 1.286 244 Q CB -2.485 26.332 28.738 0.131 0.000 1.556 244 Q HN 0.355 nan 8.270 nan 0.000 0.650 245 N N 1.008 119.696 118.700 -0.019 0.000 3.178 245 N HA 0.256 4.998 4.740 0.002 0.000 0.300 245 N C -0.006 175.425 175.510 -0.132 0.000 1.242 245 N CA 0.221 53.192 53.050 -0.130 0.000 1.192 245 N CB -0.062 38.175 38.487 -0.415 0.000 1.463 245 N HN 0.436 nan 8.380 nan 0.000 0.539 246 I N -0.067 120.413 120.570 -0.151 0.000 2.441 246 I HA 0.334 4.505 4.170 0.002 0.000 0.295 246 I C -0.748 175.261 176.117 -0.179 0.000 0.994 246 I CA -0.850 60.341 61.300 -0.182 0.000 1.144 246 I CB 1.474 39.317 38.000 -0.261 0.000 1.314 246 I HN 0.177 nan 8.210 nan 0.000 0.445 247 C N 8.025 127.204 119.300 -0.201 0.000 2.386 247 C HA 0.805 5.266 4.460 0.002 0.000 0.318 247 C C 0.298 175.157 174.990 -0.218 0.000 1.128 247 C CA -0.334 58.553 59.018 -0.219 0.000 1.438 247 C CB -0.396 27.219 27.740 -0.208 0.000 1.987 247 C HN 0.832 nan 8.230 nan 0.000 0.426 248 A N 5.347 127.902 122.820 -0.442 0.000 2.301 248 A HA 0.755 5.076 4.320 0.002 0.000 0.298 248 A C -0.525 176.869 177.584 -0.316 0.000 1.185 248 A CA -0.233 51.509 52.037 -0.492 0.000 0.830 248 A CB 0.728 19.001 19.000 -1.212 0.000 1.112 248 A HN 0.925 nan 8.150 nan 0.000 0.508 249 V N 1.416 121.290 119.914 -0.067 0.000 2.735 249 V HA 0.923 5.044 4.120 0.002 0.000 0.310 249 V C 0.503 176.643 176.094 0.077 0.000 1.061 249 V CA 0.381 62.669 62.300 -0.019 0.000 0.913 249 V CB 1.722 33.556 31.823 0.018 0.000 1.005 249 V HN 1.711 nan 8.190 nan 0.000 0.428 250 G N 2.134 110.962 108.800 0.048 0.000 2.328 250 G HA2 0.427 4.388 3.960 0.002 0.000 0.299 250 G HA3 0.427 4.388 3.960 0.002 0.000 0.299 250 G C -2.370 172.559 174.900 0.049 0.000 1.435 250 G CA -0.621 44.526 45.100 0.077 0.000 0.865 250 G HN 0.622 nan 8.290 nan 0.000 0.601 251 D N 0.032 120.458 120.400 0.044 0.000 2.440 251 D HA 0.645 5.286 4.640 0.002 0.000 0.239 251 D C 1.179 177.504 176.300 0.041 0.000 1.084 251 D CA 0.337 54.358 54.000 0.034 0.000 0.843 251 D CB 1.583 42.396 40.800 0.022 0.000 1.097 251 D HN 0.651 nan 8.370 nan 0.000 0.531 252 A N 3.798 126.647 122.820 0.048 0.000 1.908 252 A HA -0.180 4.141 4.320 0.002 0.000 0.218 252 A C 1.459 179.065 177.584 0.037 0.000 1.181 252 A CA 1.293 53.359 52.037 0.050 0.000 0.627 252 A CB -0.205 18.828 19.000 0.055 0.000 0.818 252 A HN 0.617 nan 8.150 nan 0.000 0.445 253 D N -0.360 120.059 120.400 0.032 0.000 2.392 253 D HA -0.052 4.589 4.640 0.002 0.000 0.228 253 D C 1.130 177.443 176.300 0.021 0.000 1.003 253 D CA 0.691 54.707 54.000 0.027 0.000 0.917 253 D CB -0.091 40.724 40.800 0.026 0.000 0.890 253 D HN 0.663 nan 8.370 nan 0.000 0.532 254 Q N -0.080 119.733 119.800 0.021 0.000 2.179 254 Q HA 0.069 4.410 4.340 0.002 0.000 0.213 254 Q C 0.067 176.079 176.000 0.020 0.000 0.833 254 Q CA -0.170 55.644 55.803 0.018 0.000 0.990 254 Q CB 0.803 29.552 28.738 0.019 0.000 1.132 254 Q HN 0.069 nan 8.270 nan 0.000 0.493 255 S N 1.078 116.791 115.700 0.022 0.000 2.505 255 S HA 0.344 4.816 4.470 0.002 0.000 0.276 255 S C 0.572 175.186 174.600 0.023 0.000 1.274 255 S CA -0.526 57.691 58.200 0.028 0.000 1.053 255 S CB 0.164 63.379 63.200 0.025 0.000 0.919 255 S HN 0.433 nan 8.310 nan 0.000 0.490 256 I N -1.312 119.262 120.570 0.007 0.000 3.578 256 I HA 0.381 4.552 4.170 0.002 0.000 0.321 256 I C -1.040 174.977 176.117 -0.167 0.000 1.510 256 I CA -0.552 60.706 61.300 -0.069 0.000 1.002 256 I CB -0.002 37.902 38.000 -0.161 0.000 1.427 256 I HN 0.560 nan 8.210 nan 0.000 0.575 257 Y N 1.531 121.848 120.300 0.029 0.000 2.738 257 Y HA 0.277 4.828 4.550 0.002 0.000 0.249 257 Y C 2.112 177.829 175.900 -0.304 0.000 1.157 257 Y CA -0.754 57.190 58.100 -0.262 0.000 1.189 257 Y CB 0.395 38.667 38.460 -0.315 0.000 1.262 257 Y HN 0.216 nan 8.280 nan 0.000 0.554 258 R N 0.467 121.005 120.500 0.063 0.000 2.127 258 R HA -0.174 4.167 4.340 0.002 0.000 0.238 258 R C 1.642 177.987 176.300 0.075 0.000 1.134 258 R CA 2.112 58.246 56.100 0.057 0.000 0.975 258 R CB -0.944 29.411 30.300 0.091 0.000 0.865 258 R HN 0.520 nan 8.270 nan 0.000 0.447 259 W N 0.234 121.569 121.300 0.058 0.000 2.468 259 W HA 0.007 4.668 4.660 0.002 0.000 0.262 259 W C 0.411 176.979 176.519 0.081 0.000 1.241 259 W CA 0.257 57.635 57.345 0.055 0.000 1.232 259 W CB -0.504 28.979 29.460 0.037 0.000 1.124 259 W HN 0.071 nan 8.180 nan 0.000 0.597 260 R N 0.342 120.574 120.500 -0.447 0.000 2.397 260 R HA 0.218 4.559 4.340 0.002 0.000 0.241 260 R C 1.599 177.792 176.300 -0.179 0.000 0.914 260 R CA 0.769 56.634 56.100 -0.393 0.000 1.071 260 R CB 0.510 30.389 30.300 -0.703 0.000 1.116 260 R HN 0.392 nan 8.270 nan 0.000 0.524 261 G N 0.208 108.945 108.800 -0.105 0.000 2.421 261 G HA2 -0.209 3.752 3.960 0.002 0.000 0.188 261 G HA3 -0.209 3.752 3.960 0.002 0.000 0.188 261 G C 0.255 175.129 174.900 -0.043 0.000 1.001 261 G CA -0.203 44.865 45.100 -0.054 0.000 0.693 261 G HN 0.418 nan 8.290 nan 0.000 0.479 262 A N 0.550 123.339 122.820 -0.053 0.000 2.567 262 A HA 0.438 4.759 4.320 0.002 0.000 0.240 262 A C -0.104 177.466 177.584 -0.024 0.000 1.053 262 A CA 1.164 53.179 52.037 -0.036 0.000 0.755 262 A CB 0.238 19.230 19.000 -0.014 0.000 0.978 262 A HN 0.275 nan 8.150 nan 0.000 0.507 263 D N 2.502 122.878 120.400 -0.041 0.000 2.461 263 D HA 0.254 4.895 4.640 0.002 0.000 0.240 263 D C 0.822 177.098 176.300 -0.039 0.000 1.094 263 D CA -0.351 53.623 54.000 -0.043 0.000 0.868 263 D CB 0.839 41.595 40.800 -0.074 0.000 1.062 263 D HN 0.446 nan 8.370 nan 0.000 0.530 264 I N 2.353 122.918 120.570 -0.009 0.000 2.676 264 I HA -0.149 4.023 4.170 0.002 0.000 0.259 264 I C 1.069 177.201 176.117 0.024 0.000 1.194 264 I CA 0.791 62.099 61.300 0.014 0.000 1.473 264 I CB 0.340 38.355 38.000 0.025 0.000 1.096 264 I HN 0.303 nan 8.210 nan 0.000 0.443 265 Q N 0.525 120.326 119.800 0.002 0.000 2.344 265 Q HA -0.008 4.333 4.340 0.002 0.000 0.212 265 Q C 0.630 176.617 176.000 -0.020 0.000 0.943 265 Q CA 0.358 56.162 55.803 0.002 0.000 0.955 265 Q CB -0.255 28.476 28.738 -0.012 0.000 1.000 265 Q HN 0.685 nan 8.270 nan 0.000 0.488 266 N N 0.133 118.826 118.700 -0.012 0.000 2.511 266 N HA 0.091 4.832 4.740 0.002 0.000 0.190 266 N C 1.660 177.335 175.510 0.275 0.000 1.037 266 N CA -0.021 53.010 53.050 -0.030 0.000 0.895 266 N CB 0.378 38.772 38.487 -0.154 0.000 1.149 266 N HN 0.138 nan 8.380 nan 0.000 0.437 267 I N 1.271 122.028 120.570 0.310 0.000 2.546 267 I HA -0.111 4.060 4.170 0.002 0.000 0.255 267 I C 1.550 177.852 176.117 0.309 0.000 1.163 267 I CA 0.766 62.358 61.300 0.487 0.000 1.457 267 I CB 0.194 38.405 38.000 0.352 0.000 1.092 267 I HN 0.161 nan 8.210 nan 0.000 0.434 268 L N 0.173 121.514 121.223 0.198 0.000 2.291 268 L HA -0.064 4.277 4.340 0.002 0.000 0.214 268 L C 1.593 178.556 176.870 0.155 0.000 1.120 268 L CA 1.088 56.015 54.840 0.144 0.000 0.799 268 L CB -0.237 41.875 42.059 0.089 0.000 0.925 268 L HN 0.327 nan 8.230 nan 0.000 0.446 269 S N -1.889 113.916 115.700 0.175 0.000 2.664 269 S HA 0.071 4.542 4.470 0.002 0.000 0.245 269 S C 1.110 175.835 174.600 0.210 0.000 1.019 269 S CA -0.569 57.719 58.200 0.146 0.000 0.996 269 S CB -0.278 62.962 63.200 0.067 0.000 0.878 269 S HN 0.211 nan 8.310 nan 0.000 0.493 270 F N 3.407 123.460 119.950 0.172 0.000 2.063 270 F HA -0.239 4.290 4.527 0.002 0.000 0.298 270 F C 2.141 178.073 175.800 0.221 0.000 1.109 270 F CA 2.136 60.274 58.000 0.230 0.000 1.212 270 F CB -0.345 38.730 39.000 0.125 0.000 0.973 270 F HN 0.244 nan 8.300 nan 0.000 0.480 271 E N -0.368 120.042 120.200 0.350 0.000 2.147 271 E HA -0.289 4.062 4.350 0.002 0.000 0.199 271 E C 2.332 178.986 176.600 0.090 0.000 1.005 271 E CA 1.501 58.036 56.400 0.224 0.000 0.810 271 E CB -0.234 29.580 29.700 0.189 0.000 0.736 271 E HN 0.485 nan 8.360 nan 0.000 0.460 272 R N 0.547 121.082 120.500 0.058 0.000 2.062 272 R HA -0.118 4.223 4.340 0.002 0.000 0.231 272 R C 1.923 178.180 176.300 -0.071 0.000 1.136 272 R CA 1.501 57.604 56.100 0.006 0.000 0.948 272 R CB -0.092 30.216 30.300 0.013 0.000 0.845 272 R HN 0.172 nan 8.270 nan 0.000 0.430 273 D N -0.423 119.899 120.400 -0.130 0.000 2.182 273 D HA -0.170 4.472 4.640 0.002 0.000 0.201 273 D C 0.012 175.911 176.300 -0.668 0.000 0.986 273 D CA 1.477 55.268 54.000 -0.349 0.000 0.847 273 D CB -0.035 40.576 40.800 -0.315 0.000 0.942 273 D HN 0.268 nan 8.370 nan 0.000 0.467 274 Y N 0.074 120.214 120.300 -0.267 0.000 2.805 274 Y HA 0.229 4.780 4.550 0.002 0.000 0.339 274 Y C -1.577 174.272 175.900 -0.084 0.000 1.012 274 Y CA -2.176 55.801 58.100 -0.204 0.000 1.262 274 Y CB 1.661 39.925 38.460 -0.326 0.000 1.100 274 Y HN -0.164 nan 8.280 nan 0.000 0.559 275 P HA -0.238 nan 4.420 nan 0.000 0.218 275 P C 0.057 177.396 177.300 0.066 0.000 1.152 275 P CA 1.611 64.732 63.100 0.034 0.000 0.857 275 P CB 0.381 32.086 31.700 0.010 0.000 0.787 276 N N -0.353 118.400 118.700 0.088 0.000 2.714 276 N HA 0.299 5.040 4.740 0.002 0.000 0.298 276 N C 0.132 175.708 175.510 0.111 0.000 1.298 276 N CA -0.087 53.014 53.050 0.085 0.000 1.007 276 N CB 0.198 38.728 38.487 0.071 0.000 1.318 276 N HN 0.117 nan 8.380 nan 0.000 0.516 277 A N 0.490 123.396 122.820 0.143 0.000 2.286 277 A HA 0.435 4.756 4.320 0.002 0.000 0.286 277 A C 0.384 178.047 177.584 0.132 0.000 1.097 277 A CA -0.312 51.836 52.037 0.186 0.000 0.821 277 A CB 1.355 20.545 19.000 0.318 0.000 1.076 277 A HN 0.094 nan 8.150 nan 0.000 0.490 278 K N 1.209 121.675 120.400 0.109 0.000 2.376 278 K HA 0.558 4.879 4.320 0.002 0.000 0.257 278 K C -1.646 174.973 176.600 0.031 0.000 0.939 278 K CA -0.422 55.900 56.287 0.059 0.000 0.809 278 K CB 1.934 34.455 32.500 0.035 0.000 1.121 278 K HN 0.461 nan 8.250 nan 0.000 0.425 279 V N 5.554 125.483 119.914 0.025 0.000 2.483 279 V HA 0.503 4.624 4.120 0.002 0.000 0.295 279 V C -0.093 175.992 176.094 -0.014 0.000 1.035 279 V CA -0.741 61.556 62.300 -0.006 0.000 0.896 279 V CB 1.635 33.469 31.823 0.018 0.000 0.986 279 V HN 0.647 nan 8.190 nan 0.000 0.447 280 I N 5.125 125.673 120.570 -0.037 0.000 2.466 280 I HA 0.446 4.618 4.170 0.002 0.000 0.289 280 I C -0.784 175.319 176.117 -0.022 0.000 1.026 280 I CA -0.474 60.810 61.300 -0.026 0.000 1.078 280 I CB 2.047 40.025 38.000 -0.038 0.000 1.249 280 I HN 0.377 nan 8.210 nan 0.000 0.429 281 L N 7.207 128.430 121.223 0.000 0.000 2.287 281 L HA 0.526 4.867 4.340 0.002 0.000 0.287 281 L C -0.967 175.915 176.870 0.021 0.000 1.022 281 L CA -0.675 54.172 54.840 0.011 0.000 0.814 281 L CB 1.162 43.237 42.059 0.027 0.000 1.217 281 L HN 0.491 nan 8.230 nan 0.000 0.420 282 L N 5.305 126.533 121.223 0.008 0.000 2.283 282 L HA 0.340 4.681 4.340 0.002 0.000 0.281 282 L C 0.399 177.262 176.870 -0.011 0.000 1.033 282 L CA -0.159 54.683 54.840 0.003 0.000 0.848 282 L CB 1.104 43.156 42.059 -0.012 0.000 1.226 282 L HN 0.691 nan 8.230 nan 0.000 0.429 283 E N 1.254 121.454 120.200 0.000 0.000 2.526 283 E HA 0.040 4.392 4.350 0.002 0.000 0.208 283 E C 0.254 176.637 176.600 -0.363 0.000 0.997 283 E CA -0.163 56.212 56.400 -0.043 0.000 0.961 283 E CB 0.838 30.618 29.700 0.134 0.000 1.030 283 E HN 0.540 nan 8.360 nan 0.000 0.483 284 Q N 2.218 121.699 119.800 -0.530 0.000 2.295 284 Q HA 0.073 4.414 4.340 0.002 0.000 0.259 284 Q C -0.633 174.899 176.000 -0.779 0.000 0.976 284 Q CA -0.202 54.877 55.803 -1.207 0.000 0.923 284 Q CB 0.607 28.703 28.738 -1.070 0.000 1.185 284 Q HN 0.014 nan 8.270 nan 0.000 0.410 285 N N 3.423 121.630 118.700 -0.822 0.000 2.456 285 N HA 0.125 4.866 4.740 0.002 0.000 0.296 285 N C -0.960 174.203 175.510 -0.579 0.000 1.102 285 N CA -0.022 52.753 53.050 -0.458 0.000 0.924 285 N CB 0.747 39.064 38.487 -0.285 0.000 1.186 285 N HN 0.647 nan 8.380 nan 0.000 0.492 286 Y N 0.807 121.005 120.300 -0.171 0.000 2.471 286 Y HA 0.318 4.869 4.550 0.002 0.000 0.249 286 Y C 2.074 177.924 175.900 -0.084 0.000 1.116 286 Y CA -0.391 57.634 58.100 -0.124 0.000 1.240 286 Y CB 0.551 38.945 38.460 -0.109 0.000 1.251 286 Y HN 0.485 nan 8.280 nan 0.000 0.527 287 R N 0.039 120.566 120.500 0.044 0.000 2.033 287 R HA 0.153 4.494 4.340 0.002 0.000 0.219 287 R C 0.650 176.945 176.300 -0.008 0.000 1.223 287 R CA 0.755 56.866 56.100 0.018 0.000 0.971 287 R CB -0.145 30.160 30.300 0.009 0.000 0.855 287 R HN 0.057 nan 8.270 nan 0.000 0.452 288 S N 0.283 115.969 115.700 -0.023 0.000 2.655 288 S HA 0.119 4.590 4.470 0.002 0.000 0.265 288 S C 0.033 174.617 174.600 -0.025 0.000 1.240 288 S CA -0.421 57.765 58.200 -0.022 0.000 0.986 288 S CB 1.424 64.613 63.200 -0.018 0.000 0.985 288 S HN 0.477 nan 8.310 nan 0.000 0.562 289 T N -0.509 114.037 114.554 -0.014 0.000 2.849 289 T HA 0.340 4.691 4.350 0.002 0.000 0.284 289 T C 0.886 175.586 174.700 -0.000 0.000 1.004 289 T CA -0.706 61.390 62.100 -0.007 0.000 1.021 289 T CB 0.454 69.323 68.868 0.000 0.000 1.013 289 T HN 0.480 nan 8.240 nan 0.000 0.527 290 K N -0.259 120.147 120.400 0.010 0.000 2.211 290 K HA -0.090 4.231 4.320 0.002 0.000 0.204 290 K C 2.529 179.144 176.600 0.024 0.000 1.047 290 K CA 1.055 57.357 56.287 0.025 0.000 0.935 290 K CB -0.062 32.458 32.500 0.034 0.000 0.728 290 K HN 0.497 nan 8.250 nan 0.000 0.452 291 R N 0.232 120.744 120.500 0.019 0.000 2.075 291 R HA 0.063 4.404 4.340 0.002 0.000 0.226 291 R C 2.090 178.402 176.300 0.020 0.000 1.114 291 R CA 0.834 56.947 56.100 0.021 0.000 0.972 291 R CB 0.024 30.337 30.300 0.022 0.000 0.869 291 R HN 0.115 nan 8.270 nan 0.000 0.437 292 I N 0.317 120.896 120.570 0.015 0.000 2.202 292 I HA -0.270 3.901 4.170 0.002 0.000 0.242 292 I C 1.782 177.906 176.117 0.012 0.000 1.091 292 I CA 0.826 62.134 61.300 0.013 0.000 1.368 292 I CB -0.167 37.837 38.000 0.007 0.000 1.058 292 I HN 0.151 nan 8.210 nan 0.000 0.410 293 L N 0.546 121.774 121.223 0.009 0.000 2.187 293 L HA -0.253 4.089 4.340 0.002 0.000 0.213 293 L C 2.498 179.383 176.870 0.025 0.000 1.100 293 L CA 1.722 56.569 54.840 0.010 0.000 0.765 293 L CB -0.801 41.261 42.059 0.004 0.000 0.904 293 L HN 0.309 nan 8.230 nan 0.000 0.437 294 Q N -1.420 118.396 119.800 0.028 0.000 2.083 294 Q HA -0.141 4.200 4.340 0.002 0.000 0.198 294 Q C 2.259 178.276 176.000 0.029 0.000 0.969 294 Q CA 1.371 57.194 55.803 0.032 0.000 0.838 294 Q CB -0.054 28.702 28.738 0.030 0.000 0.900 294 Q HN 0.506 nan 8.270 nan 0.000 0.436 295 A N 0.943 123.776 122.820 0.022 0.000 1.865 295 A HA -0.192 4.129 4.320 0.002 0.000 0.217 295 A C 2.316 179.910 177.584 0.016 0.000 1.191 295 A CA 1.910 53.956 52.037 0.015 0.000 0.623 295 A CB -1.269 17.737 19.000 0.010 0.000 0.826 295 A HN 0.561 nan 8.150 nan 0.000 0.444 296 A N 0.198 123.027 122.820 0.016 0.000 1.883 296 A HA -0.240 4.082 4.320 0.002 0.000 0.217 296 A C 1.964 179.565 177.584 0.029 0.000 1.186 296 A CA 1.970 54.017 52.037 0.017 0.000 0.624 296 A CB -0.702 18.305 19.000 0.012 0.000 0.822 296 A HN 0.582 nan 8.150 nan 0.000 0.444 297 N N -0.455 118.265 118.700 0.034 0.000 2.142 297 N HA -0.131 4.611 4.740 0.002 0.000 0.186 297 N C 1.725 177.271 175.510 0.059 0.000 1.023 297 N CA 1.502 54.579 53.050 0.044 0.000 0.852 297 N CB -0.458 38.056 38.487 0.046 0.000 0.998 297 N HN 0.610 nan 8.380 nan 0.000 0.424 298 E N 1.375 121.612 120.200 0.061 0.000 2.013 298 E HA -0.123 4.229 4.350 0.002 0.000 0.202 298 E C 1.977 178.677 176.600 0.167 0.000 1.018 298 E CA 1.217 57.673 56.400 0.093 0.000 0.834 298 E CB -0.609 29.134 29.700 0.071 0.000 0.770 298 E HN 0.021 nan 8.360 nan 0.000 0.459 299 V N 0.739 120.709 119.914 0.092 0.000 2.233 299 V HA -0.306 3.815 4.120 0.002 0.000 0.252 299 V C 2.560 178.733 176.094 0.131 0.000 1.063 299 V CA 2.194 64.516 62.300 0.038 0.000 1.032 299 V CB -0.684 31.119 31.823 -0.033 0.000 0.645 299 V HN 0.409 nan 8.190 nan 0.000 0.446 300 I N -0.050 120.573 120.570 0.088 0.000 2.850 300 I HA -0.163 4.009 4.170 0.002 0.000 0.266 300 I C 2.003 178.180 176.117 0.101 0.000 1.257 300 I CA 1.311 62.660 61.300 0.081 0.000 1.465 300 I CB -0.304 37.726 38.000 0.049 0.000 1.091 300 I HN 0.285 nan 8.210 nan 0.000 0.467 301 E N -0.801 119.477 120.200 0.129 0.000 2.511 301 E HA -0.121 4.230 4.350 0.002 0.000 0.196 301 E C 1.115 177.708 176.600 -0.012 0.000 1.066 301 E CA 0.534 56.964 56.400 0.050 0.000 0.871 301 E CB -0.157 29.555 29.700 0.020 0.000 0.863 301 E HN 0.600 nan 8.360 nan 0.000 0.520 302 H N -1.283 117.788 119.070 0.001 0.000 2.551 302 H HA 0.255 4.812 4.556 0.002 0.000 0.271 302 H C -0.201 175.127 175.328 0.000 0.000 0.984 302 H CA -0.106 55.941 56.048 -0.002 0.000 1.164 302 H CB 0.285 30.043 29.762 -0.006 0.000 1.437 302 H HN -0.061 nan 8.280 nan 0.000 0.550 303 N N -0.272 118.485 118.700 0.095 0.000 2.509 303 N HA 0.077 4.818 4.740 0.002 0.000 0.287 303 N C 0.832 176.361 175.510 0.032 0.000 1.121 303 N CA -0.164 52.921 53.050 0.058 0.000 0.977 303 N CB 2.082 40.599 38.487 0.049 0.000 1.167 303 N HN -0.071 nan 8.380 nan 0.000 0.476 304 V N 1.365 121.295 119.914 0.026 0.000 2.492 304 V HA 0.048 4.170 4.120 0.002 0.000 0.241 304 V C 1.132 177.237 176.094 0.019 0.000 1.041 304 V CA 0.690 63.000 62.300 0.016 0.000 1.057 304 V CB -0.323 31.508 31.823 0.014 0.000 0.711 304 V HN 0.731 nan 8.190 nan 0.000 0.468 305 N N 1.613 120.326 118.700 0.023 0.000 3.193 305 N HA 0.026 4.768 4.740 0.002 0.000 0.312 305 N C 0.148 175.675 175.510 0.029 0.000 1.261 305 N CA -0.042 53.023 53.050 0.025 0.000 1.208 305 N CB -0.004 38.497 38.487 0.025 0.000 1.471 305 N HN 0.270 nan 8.380 nan 0.000 0.548 306 R N 1.363 121.880 120.500 0.029 0.000 2.799 306 R HA 0.329 4.670 4.340 0.002 0.000 0.270 306 R C -1.488 174.831 176.300 0.032 0.000 1.010 306 R CA -0.652 55.468 56.100 0.032 0.000 0.916 306 R CB 1.643 31.961 30.300 0.031 0.000 1.228 306 R HN 0.104 nan 8.270 nan 0.000 0.469 307 K N 1.594 122.016 120.400 0.036 0.000 2.156 307 K HA 0.470 4.791 4.320 0.002 0.000 0.254 307 K C -2.488 174.131 176.600 0.031 0.000 0.950 307 K CA -1.960 54.348 56.287 0.036 0.000 0.849 307 K CB 1.647 34.172 32.500 0.043 0.000 1.100 307 K HN 0.297 nan 8.250 nan 0.000 0.434 308 P HA 0.005 nan 4.420 nan 0.000 0.264 308 P C -1.726 175.594 177.300 0.032 0.000 1.193 308 P CA 0.294 63.410 63.100 0.026 0.000 0.763 308 P CB 0.384 32.097 31.700 0.022 0.000 0.810 309 K N 2.509 122.931 120.400 0.036 0.000 2.545 309 K HA 0.277 4.598 4.320 0.002 0.000 0.291 309 K C -1.498 175.131 176.600 0.050 0.000 1.093 309 K CA -0.716 55.597 56.287 0.043 0.000 1.012 309 K CB 0.837 33.359 32.500 0.037 0.000 1.354 309 K HN 0.227 nan 8.250 nan 0.000 0.460 310 R N 5.065 125.607 120.500 0.070 0.000 2.439 310 R HA 0.463 4.804 4.340 0.002 0.000 0.310 310 R C 0.272 176.649 176.300 0.129 0.000 0.955 310 R CA -0.824 55.325 56.100 0.082 0.000 0.853 310 R CB 1.246 31.591 30.300 0.076 0.000 1.171 310 R HN 0.603 nan 8.270 nan 0.000 0.449 311 I N 0.245 120.864 120.570 0.082 0.000 2.581 311 I HA 0.550 4.721 4.170 0.002 0.000 0.288 311 I C -0.150 176.030 176.117 0.105 0.000 1.047 311 I CA -0.483 60.838 61.300 0.034 0.000 1.374 311 I CB 0.697 38.659 38.000 -0.064 0.000 1.423 311 I HN 0.634 nan 8.210 nan 0.000 0.549 312 W N 3.244 124.509 121.300 -0.059 0.000 3.040 312 W HA 0.789 5.450 4.660 0.002 0.000 0.344 312 W C -1.663 174.788 176.519 -0.113 0.000 1.201 312 W CA -0.934 56.369 57.345 -0.070 0.000 1.119 312 W CB 0.806 30.229 29.460 -0.062 0.000 1.478 312 W HN 0.567 nan 8.180 nan 0.000 0.586 313 T N 0.215 114.861 114.554 0.153 0.000 2.843 313 T HA 0.208 4.560 4.350 0.002 0.000 0.302 313 T C -0.117 174.640 174.700 0.095 0.000 1.232 313 T CA -0.711 61.330 62.100 -0.098 0.000 1.009 313 T CB 2.757 71.547 68.868 -0.131 0.000 1.254 313 T HN 0.450 nan 8.240 nan 0.000 0.504 314 E N 0.249 120.428 120.200 -0.035 0.000 2.476 314 E HA 0.137 4.488 4.350 0.002 0.000 0.196 314 E C 0.094 176.700 176.600 0.010 0.000 1.029 314 E CA -0.303 56.121 56.400 0.041 0.000 0.896 314 E CB 0.295 30.012 29.700 0.028 0.000 1.012 314 E HN 0.323 nan 8.360 nan 0.000 0.475 315 N N 1.779 120.468 118.700 -0.018 0.000 2.408 315 N HA 0.198 4.939 4.740 0.002 0.000 0.260 315 N C -2.293 173.221 175.510 0.007 0.000 1.242 315 N CA -1.416 51.629 53.050 -0.008 0.000 0.959 315 N CB 0.043 38.517 38.487 -0.022 0.000 1.201 315 N HN -0.167 nan 8.380 nan 0.000 0.511 316 P HA -0.010 nan 4.420 nan 0.000 0.273 316 P C 0.754 178.061 177.300 0.012 0.000 1.252 316 P CA -0.054 63.052 63.100 0.010 0.000 0.809 316 P CB 0.809 32.512 31.700 0.006 0.000 1.017 317 E N 0.013 120.221 120.200 0.014 0.000 2.112 317 E HA 0.018 4.370 4.350 0.002 0.000 0.190 317 E C 0.640 177.248 176.600 0.014 0.000 0.979 317 E CA 0.840 57.249 56.400 0.016 0.000 0.814 317 E CB -0.411 29.299 29.700 0.016 0.000 0.762 317 E HN 0.697 nan 8.360 nan 0.000 0.460 318 G N 1.618 110.424 108.800 0.011 0.000 2.755 318 G HA2 -0.260 3.701 3.960 0.002 0.000 0.686 318 G HA3 -0.260 3.701 3.960 0.002 0.000 0.686 318 G C -0.787 174.122 174.900 0.015 0.000 1.427 318 G CA -0.174 44.932 45.100 0.009 0.000 0.873 318 G HN 0.151 nan 8.290 nan 0.000 0.580 319 K N 1.619 122.029 120.400 0.016 0.000 2.440 319 K HA 0.238 4.559 4.320 0.002 0.000 0.270 319 K C -1.831 174.788 176.600 0.032 0.000 0.980 319 K CA -0.426 55.876 56.287 0.025 0.000 0.953 319 K CB 0.405 32.921 32.500 0.027 0.000 0.925 319 K HN 0.462 nan 8.250 nan 0.000 0.497 320 P HA 0.121 nan 4.420 nan 0.000 0.275 320 P C -0.208 177.129 177.300 0.062 0.000 1.228 320 P CA -0.231 62.896 63.100 0.045 0.000 0.786 320 P CB 0.335 32.062 31.700 0.045 0.000 0.927 321 I N 2.440 123.047 120.570 0.062 0.000 2.792 321 I HA -0.088 4.083 4.170 0.002 0.000 0.284 321 I C 1.145 177.333 176.117 0.119 0.000 1.166 321 I CA -0.008 61.341 61.300 0.081 0.000 1.375 321 I CB -0.586 37.452 38.000 0.062 0.000 1.421 321 I HN 0.207 nan 8.210 nan 0.000 0.544 322 L N 8.029 129.344 121.223 0.152 0.000 2.472 322 L HA 0.274 4.616 4.340 0.002 0.000 0.260 322 L C -0.485 176.564 176.870 0.297 0.000 1.209 322 L CA 0.279 55.243 54.840 0.208 0.000 0.817 322 L CB 0.369 42.560 42.059 0.220 0.000 1.106 322 L HN 0.459 nan 8.230 nan 0.000 0.479 323 Y N 2.316 122.700 120.300 0.140 0.000 2.474 323 Y HA 0.441 4.992 4.550 0.002 0.000 0.326 323 Y C -1.878 174.082 175.900 0.100 0.000 1.160 323 Y CA -1.284 56.874 58.100 0.096 0.000 1.056 323 Y CB 1.016 39.499 38.460 0.039 0.000 1.330 323 Y HN 0.501 nan 8.280 nan 0.000 0.447 324 Y N 4.705 124.374 120.300 -1.051 0.000 2.433 324 Y HA 0.543 5.094 4.550 0.002 0.000 0.337 324 Y C -1.680 173.521 175.900 -1.166 0.000 1.026 324 Y CA -1.280 56.193 58.100 -1.046 0.000 1.037 324 Y CB 1.911 39.719 38.460 -1.086 0.000 1.245 324 Y HN 0.730 nan 8.280 nan 0.000 0.443 325 E N 4.900 124.464 120.200 -1.061 0.000 2.035 325 E HA 0.657 5.008 4.350 0.002 0.000 0.271 325 E C -0.736 175.369 176.600 -0.824 0.000 0.953 325 E CA -0.641 55.248 56.400 -0.853 0.000 0.777 325 E CB 0.581 30.077 29.700 -0.341 0.000 1.104 325 E HN 0.857 nan 8.360 nan 0.000 0.408 326 A N 4.603 126.733 122.820 -1.150 0.000 2.462 326 A HA 0.071 4.393 4.320 0.002 0.000 0.243 326 A C 0.864 178.330 177.584 -0.197 0.000 1.076 326 A CA -0.189 51.500 52.037 -0.579 0.000 0.773 326 A CB 0.462 19.178 19.000 -0.472 0.000 1.010 326 A HN 1.009 nan 8.150 nan 0.000 0.493 327 M N 1.848 121.426 119.600 -0.037 0.000 2.419 327 M HA 0.000 4.481 4.480 0.002 0.000 0.264 327 M C 0.365 176.647 176.300 -0.030 0.000 1.082 327 M CA 1.206 56.491 55.300 -0.025 0.000 1.119 327 M CB -0.201 32.405 32.600 0.010 0.000 1.398 327 M HN 0.888 nan 8.290 nan 0.000 0.453 328 N N -0.627 118.058 118.700 -0.025 0.000 2.598 328 N HA 0.017 4.758 4.740 0.002 0.000 0.263 328 N C -0.467 175.029 175.510 -0.024 0.000 1.254 328 N CA -0.287 52.748 53.050 -0.025 0.000 0.863 328 N CB 0.450 38.932 38.487 -0.007 0.000 1.586 328 N HN 0.236 nan 8.380 nan 0.000 0.491 329 E N 0.315 120.495 120.200 -0.032 0.000 2.284 329 E HA -0.238 4.113 4.350 0.002 0.000 0.200 329 E C 1.395 177.992 176.600 -0.004 0.000 1.008 329 E CA 1.703 58.085 56.400 -0.030 0.000 0.829 329 E CB -0.171 29.507 29.700 -0.038 0.000 0.744 329 E HN 0.615 nan 8.360 nan 0.000 0.491 330 A N 1.321 124.145 122.820 0.006 0.000 1.970 330 A HA -0.137 4.184 4.320 0.002 0.000 0.216 330 A C 1.879 179.498 177.584 0.058 0.000 1.170 330 A CA 1.306 53.355 52.037 0.021 0.000 0.645 330 A CB -0.191 18.817 19.000 0.012 0.000 0.816 330 A HN 0.188 nan 8.150 nan 0.000 0.447 331 D N -0.226 120.219 120.400 0.075 0.000 2.091 331 D HA -0.172 4.470 4.640 0.002 0.000 0.199 331 D C 1.920 178.368 176.300 0.246 0.000 0.980 331 D CA 1.412 55.499 54.000 0.145 0.000 0.831 331 D CB -0.263 40.628 40.800 0.152 0.000 0.987 331 D HN 0.576 nan 8.370 nan 0.000 0.460 332 E N -0.280 120.017 120.200 0.162 0.000 2.147 332 E HA -0.237 4.114 4.350 0.002 0.000 0.199 332 E C 1.589 178.338 176.600 0.248 0.000 1.005 332 E CA 1.379 57.864 56.400 0.143 0.000 0.810 332 E CB -0.121 29.544 29.700 -0.059 0.000 0.736 332 E HN 0.265 nan 8.360 nan 0.000 0.460 333 A N 0.209 123.122 122.820 0.154 0.000 2.132 333 A HA -0.023 4.298 4.320 0.002 0.000 0.213 333 A C 1.855 179.514 177.584 0.125 0.000 1.154 333 A CA 0.415 52.527 52.037 0.125 0.000 0.753 333 A CB 0.106 19.134 19.000 0.047 0.000 0.826 333 A HN 0.303 nan 8.150 nan 0.000 0.469 334 Q N -1.425 118.464 119.800 0.147 0.000 2.204 334 Q HA 0.191 4.533 4.340 0.002 0.000 0.209 334 Q C 0.562 176.644 176.000 0.137 0.000 0.861 334 Q CA -0.094 55.770 55.803 0.102 0.000 0.971 334 Q CB 0.042 28.822 28.738 0.070 0.000 1.095 334 Q HN 0.685 nan 8.270 nan 0.000 0.486 335 F N -2.031 117.930 119.950 0.019 0.000 2.711 335 F HA 0.185 4.713 4.527 0.002 0.000 0.296 335 F C 0.910 176.704 175.800 -0.011 0.000 1.096 335 F CA 0.170 58.139 58.000 -0.052 0.000 1.280 335 F CB 0.268 39.187 39.000 -0.136 0.000 1.060 335 F HN -0.090 nan 8.300 nan 0.000 0.608 336 V N 0.908 120.895 119.914 0.123 0.000 2.535 336 V HA 0.004 4.125 4.120 0.002 0.000 0.246 336 V C 2.711 178.753 176.094 -0.086 0.000 1.045 336 V CA 1.550 63.855 62.300 0.009 0.000 1.058 336 V CB -0.888 31.043 31.823 0.180 0.000 0.689 336 V HN 0.432 nan 8.190 nan 0.000 0.461 337 A N 0.800 123.596 122.820 -0.040 0.000 1.898 337 A HA -0.048 4.273 4.320 0.002 0.000 0.216 337 A C 2.363 179.880 177.584 -0.112 0.000 1.181 337 A CA 1.712 53.711 52.037 -0.064 0.000 0.620 337 A CB -1.180 17.806 19.000 -0.022 0.000 0.819 337 A HN 0.516 nan 8.150 nan 0.000 0.442 338 G N -1.064 107.662 108.800 -0.122 0.000 2.501 338 G HA2 -0.158 3.803 3.960 0.002 0.000 0.220 338 G HA3 -0.158 3.803 3.960 0.002 0.000 0.220 338 G C 1.681 176.465 174.900 -0.193 0.000 1.114 338 G CA 0.968 45.982 45.100 -0.143 0.000 0.757 338 G HN 0.577 nan 8.290 nan 0.000 0.559 339 R N -0.900 119.447 120.500 -0.254 0.000 2.221 339 R HA 0.316 4.657 4.340 0.002 0.000 0.195 339 R C 2.231 178.348 176.300 -0.306 0.000 0.956 339 R CA -0.096 55.856 56.100 -0.247 0.000 1.064 339 R CB 0.021 30.144 30.300 -0.295 0.000 1.049 339 R HN 0.337 nan 8.270 nan 0.000 0.534 340 I N 0.531 120.844 120.570 -0.428 0.000 2.916 340 I HA -0.160 4.011 4.170 0.002 0.000 0.267 340 I C 2.373 178.186 176.117 -0.507 0.000 1.263 340 I CA 1.125 61.903 61.300 -0.871 0.000 1.471 340 I CB -0.086 37.572 38.000 -0.570 0.000 1.089 340 I HN 0.089 nan 8.210 nan 0.000 0.468 341 R N 0.629 120.983 120.500 -0.243 0.000 2.195 341 R HA -0.009 4.332 4.340 0.002 0.000 0.197 341 R C 2.012 178.251 176.300 -0.102 0.000 0.990 341 R CA 0.289 56.328 56.100 -0.101 0.000 1.048 341 R CB 0.270 30.547 30.300 -0.039 0.000 0.997 341 R HN 0.300 nan 8.270 nan 0.000 0.502 342 E N 0.592 120.722 120.200 -0.116 0.000 1.987 342 E HA -0.167 4.185 4.350 0.002 0.000 0.200 342 E C 1.479 178.049 176.600 -0.050 0.000 0.990 342 E CA 1.420 57.774 56.400 -0.077 0.000 0.859 342 E CB -0.232 29.416 29.700 -0.086 0.000 0.805 342 E HN 0.327 nan 8.360 nan 0.000 0.499 343 A N 0.561 123.370 122.820 -0.018 0.000 2.245 343 A HA -0.138 4.183 4.320 0.002 0.000 0.217 343 A C 2.151 179.755 177.584 0.032 0.000 1.171 343 A CA 1.661 53.718 52.037 0.032 0.000 0.688 343 A CB -0.816 18.245 19.000 0.101 0.000 0.781 343 A HN 0.354 nan 8.150 nan 0.000 0.479 344 V N -3.701 116.198 119.914 -0.025 0.000 2.795 344 V HA 0.116 4.238 4.120 0.002 0.000 0.243 344 V C 1.432 177.453 176.094 -0.122 0.000 1.069 344 V CA 1.428 63.671 62.300 -0.095 0.000 1.089 344 V CB -0.398 31.269 31.823 -0.261 0.000 0.756 344 V HN 0.457 nan 8.190 nan 0.000 0.471 345 E N 0.236 120.385 120.200 -0.085 0.000 2.489 345 E HA 0.114 4.465 4.350 0.002 0.000 0.193 345 E C 1.803 178.382 176.600 -0.035 0.000 1.057 345 E CA 0.107 56.475 56.400 -0.053 0.000 0.866 345 E CB 0.272 29.956 29.700 -0.026 0.000 0.916 345 E HN 0.670 nan 8.360 nan 0.000 0.500 346 R N -0.360 120.120 120.500 -0.033 0.000 1.921 346 R HA 0.328 4.669 4.340 0.002 0.000 0.190 346 R C 0.641 176.928 176.300 -0.022 0.000 1.595 346 R CA 0.498 56.585 56.100 -0.022 0.000 1.236 346 R CB 0.408 30.698 30.300 -0.016 0.000 1.010 346 R HN -0.011 nan 8.270 nan 0.000 0.482 347 G N 1.005 109.794 108.800 -0.018 0.000 1.974 347 G HA2 0.339 4.300 3.960 0.002 0.000 0.303 347 G HA3 0.339 4.300 3.960 0.002 0.000 0.303 347 G C -1.499 173.395 174.900 -0.011 0.000 2.080 347 G CA -0.397 44.692 45.100 -0.017 0.000 0.896 347 G HN 0.240 nan 8.290 nan 0.000 0.514 348 E N 2.083 122.277 120.200 -0.011 0.000 6.174 348 E HA 0.083 4.434 4.350 0.002 0.000 0.321 348 E C -0.303 176.306 176.600 0.014 0.000 0.976 348 E CA -0.815 55.580 56.400 -0.008 0.000 1.373 348 E CB -0.043 29.653 29.700 -0.008 0.000 0.960 348 E HN 0.945 nan 8.360 nan 0.000 0.536 349 R N 2.610 123.101 120.500 -0.014 0.000 1.833 349 R HA -0.078 4.263 4.340 0.002 0.000 0.390 349 R C 0.160 176.526 176.300 0.110 0.000 1.105 349 R CA 0.843 56.934 56.100 -0.016 0.000 0.669 349 R CB -1.213 29.074 30.300 -0.021 0.000 2.357 349 R HN 0.758 nan 8.270 nan 0.000 0.484 350 R N 1.263 121.772 120.500 0.015 0.000 2.915 350 R HA 0.110 4.451 4.340 0.002 0.000 0.148 350 R C 1.028 177.348 176.300 0.034 0.000 0.743 350 R CA 0.315 56.374 56.100 -0.067 0.000 1.502 350 R CB -0.243 30.043 30.300 -0.023 0.000 0.627 350 R HN 0.375 nan 8.270 nan 0.000 0.563 351 Y N -0.276 120.145 120.300 0.202 0.000 2.262 351 Y HA 0.010 4.561 4.550 0.002 0.000 0.295 351 Y C 2.515 178.573 175.900 0.264 0.000 1.121 351 Y CA 0.937 59.178 58.100 0.234 0.000 1.144 351 Y CB -0.478 38.050 38.460 0.114 0.000 1.043 351 Y HN 0.310 nan 8.280 nan 0.000 0.528 352 R N 1.367 122.046 120.500 0.299 0.000 2.139 352 R HA -0.166 4.175 4.340 0.002 0.000 0.243 352 R C 0.849 177.227 176.300 0.131 0.000 1.145 352 R CA 1.966 58.177 56.100 0.185 0.000 0.976 352 R CB -1.002 29.364 30.300 0.110 0.000 0.866 352 R HN 0.219 nan 8.270 nan 0.000 0.449 353 D N -0.623 119.822 120.400 0.075 0.000 2.392 353 D HA -0.070 4.572 4.640 0.002 0.000 0.228 353 D C -0.389 175.683 176.300 -0.381 0.000 1.003 353 D CA 0.772 54.667 54.000 -0.176 0.000 0.917 353 D CB -0.134 40.471 40.800 -0.324 0.000 0.890 353 D HN 0.159 nan 8.370 nan 0.000 0.532 354 F N -0.052 119.937 119.950 0.066 0.000 2.546 354 F HA 0.602 5.130 4.527 0.002 0.000 0.320 354 F C 0.006 175.849 175.800 0.072 0.000 1.076 354 F CA -1.245 56.797 58.000 0.070 0.000 0.928 354 F CB 1.924 40.979 39.000 0.091 0.000 1.189 354 F HN -0.301 nan 8.300 nan 0.000 0.465 355 A N 1.966 124.932 122.820 0.244 0.000 2.402 355 A HA 0.727 5.049 4.320 0.002 0.000 0.291 355 A C -1.762 175.900 177.584 0.129 0.000 1.051 355 A CA -0.648 51.478 52.037 0.148 0.000 0.716 355 A CB 1.057 20.102 19.000 0.076 0.000 1.223 355 A HN 0.497 nan 8.150 nan 0.000 0.425 356 V N 3.740 123.721 119.914 0.112 0.000 2.394 356 V HA 0.475 4.596 4.120 0.002 0.000 0.282 356 V C -0.211 175.871 176.094 -0.020 0.000 1.031 356 V CA -0.186 62.178 62.300 0.106 0.000 0.881 356 V CB 1.025 32.946 31.823 0.163 0.000 0.982 356 V HN 0.733 nan 8.190 nan 0.000 0.451 357 L N 6.426 127.621 121.223 -0.047 0.000 2.346 357 L HA 0.698 5.039 4.340 0.002 0.000 0.276 357 L C -0.942 175.846 176.870 -0.135 0.000 1.006 357 L CA -0.732 53.971 54.840 -0.228 0.000 0.817 357 L CB 1.647 43.633 42.059 -0.123 0.000 1.272 357 L HN 0.723 nan 8.230 nan 0.000 0.421 358 Y N -0.227 120.084 120.300 0.018 0.000 2.581 358 Y HA 0.620 5.171 4.550 0.002 0.000 0.345 358 Y C 0.490 176.385 175.900 -0.010 0.000 1.036 358 Y CA -1.514 56.587 58.100 0.003 0.000 1.042 358 Y CB 0.946 39.404 38.460 -0.002 0.000 1.289 358 Y HN 0.333 nan 8.280 nan 0.000 0.471 359 R N 0.983 121.585 120.500 0.170 0.000 2.115 359 R HA 0.055 4.396 4.340 0.002 0.000 0.226 359 R C -0.091 176.261 176.300 0.087 0.000 1.100 359 R CA 1.679 57.824 56.100 0.074 0.000 0.980 359 R CB -0.565 29.747 30.300 0.021 0.000 0.875 359 R HN 0.943 nan 8.270 nan 0.000 0.445 360 T N -2.542 112.098 114.554 0.142 0.000 2.863 360 T HA 0.353 4.704 4.350 0.002 0.000 0.285 360 T C 0.481 175.260 174.700 0.132 0.000 1.009 360 T CA -0.915 61.235 62.100 0.083 0.000 0.989 360 T CB 1.609 70.475 68.868 -0.003 0.000 1.004 360 T HN 0.002 nan 8.240 nan 0.000 0.455 361 N N 1.330 120.099 118.700 0.114 0.000 2.223 361 N HA -0.099 4.642 4.740 0.002 0.000 0.185 361 N C 1.908 177.350 175.510 -0.113 0.000 1.016 361 N CA 1.212 54.323 53.050 0.103 0.000 0.863 361 N CB -0.289 38.267 38.487 0.114 0.000 0.983 361 N HN 0.875 nan 8.380 nan 0.000 0.429 362 A N 0.534 123.300 122.820 -0.090 0.000 2.264 362 A HA -0.070 4.251 4.320 0.002 0.000 0.207 362 A C 1.723 179.189 177.584 -0.197 0.000 1.196 362 A CA 0.613 52.580 52.037 -0.117 0.000 0.778 362 A CB -0.204 18.755 19.000 -0.068 0.000 0.779 362 A HN 0.287 nan 8.150 nan 0.000 0.483 363 Q N -0.539 119.058 119.800 -0.339 0.000 2.219 363 Q HA 0.035 4.376 4.340 0.002 0.000 0.209 363 Q C 1.533 177.116 176.000 -0.695 0.000 0.854 363 Q CA 0.598 56.159 55.803 -0.403 0.000 0.960 363 Q CB 0.269 28.846 28.738 -0.268 0.000 1.116 363 Q HN 0.793 nan 8.270 nan 0.000 0.500 364 S N -1.184 114.042 115.700 -0.790 0.000 2.483 364 S HA 0.072 4.543 4.470 0.002 0.000 0.221 364 S C 1.567 175.970 174.600 -0.328 0.000 1.030 364 S CA -0.385 57.403 58.200 -0.687 0.000 0.925 364 S CB 0.134 62.996 63.200 -0.562 0.000 0.795 364 S HN 0.240 nan 8.310 nan 0.000 0.511 365 R N 1.571 121.925 120.500 -0.242 0.000 2.148 365 R HA -0.124 4.217 4.340 0.002 0.000 0.230 365 R C 2.332 178.550 176.300 -0.137 0.000 1.120 365 R CA 2.055 58.063 56.100 -0.152 0.000 0.902 365 R CB -1.656 28.579 30.300 -0.107 0.000 0.839 365 R HN 0.434 nan 8.270 nan 0.000 0.431 366 V N 1.098 120.942 119.914 -0.117 0.000 2.277 366 V HA -0.346 3.775 4.120 0.002 0.000 0.253 366 V C 2.439 178.481 176.094 -0.087 0.000 1.067 366 V CA 2.396 64.647 62.300 -0.082 0.000 1.047 366 V CB -0.701 31.082 31.823 -0.066 0.000 0.649 366 V HN 0.298 nan 8.190 nan 0.000 0.447 367 M N 0.546 120.076 119.600 -0.117 0.000 2.082 367 M HA -0.208 4.273 4.480 0.002 0.000 0.258 367 M C 2.073 178.266 176.300 -0.178 0.000 1.069 367 M CA 1.951 57.185 55.300 -0.110 0.000 1.102 367 M CB -0.723 31.816 32.600 -0.102 0.000 1.336 367 M HN 0.499 nan 8.290 nan 0.000 0.404 368 E N -1.052 118.982 120.200 -0.277 0.000 2.072 368 E HA -0.202 4.149 4.350 0.002 0.000 0.190 368 E C 2.048 178.570 176.600 -0.129 0.000 0.982 368 E CA 1.212 57.377 56.400 -0.392 0.000 0.803 368 E CB -0.287 29.136 29.700 -0.461 0.000 0.755 368 E HN 0.622 nan 8.360 nan 0.000 0.453 369 E N 0.246 120.394 120.200 -0.086 0.000 2.086 369 E HA -0.236 4.115 4.350 0.002 0.000 0.200 369 E C 1.955 178.545 176.600 -0.016 0.000 1.012 369 E CA 1.406 57.787 56.400 -0.032 0.000 0.812 369 E CB 0.135 29.815 29.700 -0.034 0.000 0.743 369 E HN 0.147 nan 8.360 nan 0.000 0.453 370 M N -0.193 119.391 119.600 -0.026 0.000 2.236 370 M HA -0.040 4.441 4.480 0.002 0.000 0.266 370 M C 2.387 178.684 176.300 -0.005 0.000 1.070 370 M CA 0.879 56.173 55.300 -0.009 0.000 1.137 370 M CB -0.794 31.805 32.600 -0.002 0.000 1.378 370 M HN 0.195 nan 8.290 nan 0.000 0.426 371 L N -0.081 121.129 121.223 -0.021 0.000 2.129 371 L HA -0.245 4.096 4.340 0.002 0.000 0.212 371 L C 2.319 179.217 176.870 0.046 0.000 1.087 371 L CA 1.053 55.894 54.840 0.002 0.000 0.757 371 L CB -0.422 41.620 42.059 -0.028 0.000 0.896 371 L HN 0.226 nan 8.230 nan 0.000 0.434 372 L N -0.978 120.284 121.223 0.064 0.000 2.127 372 L HA -0.147 4.194 4.340 0.002 0.000 0.203 372 L C 2.496 179.384 176.870 0.030 0.000 1.080 372 L CA 1.119 55.998 54.840 0.066 0.000 0.768 372 L CB -0.346 41.766 42.059 0.089 0.000 0.924 372 L HN 0.075 nan 8.230 nan 0.000 0.444 373 K N -0.235 120.178 120.400 0.022 0.000 2.034 373 K HA -0.271 4.050 4.320 0.002 0.000 0.214 373 K C 1.975 178.580 176.600 0.009 0.000 1.051 373 K CA 1.722 58.017 56.287 0.013 0.000 0.931 373 K CB -0.190 32.316 32.500 0.009 0.000 0.715 373 K HN 0.342 nan 8.250 nan 0.000 0.446 374 A N 0.738 123.562 122.820 0.007 0.000 1.819 374 A HA -0.113 4.208 4.320 0.002 0.000 0.215 374 A C 0.761 178.350 177.584 0.008 0.000 1.226 374 A CA 1.832 53.871 52.037 0.004 0.000 0.608 374 A CB -0.216 18.782 19.000 -0.003 0.000 0.877 374 A HN 0.568 nan 8.150 nan 0.000 0.452 375 N N -2.620 116.085 118.700 0.009 0.000 3.902 375 N HA 0.015 4.756 4.740 0.002 0.000 0.106 375 N C -1.985 173.521 175.510 -0.007 0.000 0.830 375 N CA -0.040 53.013 53.050 0.005 0.000 3.172 375 N CB -0.837 37.660 38.487 0.017 0.000 1.273 375 N HN 0.184 nan 8.380 nan 0.000 0.808 376 I N 1.570 122.116 120.570 -0.040 0.000 2.439 376 I HA 0.471 4.642 4.170 0.002 0.000 0.285 376 I C -1.916 174.063 176.117 -0.230 0.000 1.021 376 I CA -1.772 59.444 61.300 -0.140 0.000 1.091 376 I CB 1.415 39.405 38.000 -0.017 0.000 1.242 376 I HN 0.017 nan 8.210 nan 0.000 0.439 377 P HA 0.132 nan 4.420 nan 0.000 0.269 377 P C -1.360 175.854 177.300 -0.144 0.000 1.217 377 P CA 0.161 63.033 63.100 -0.379 0.000 0.783 377 P CB 0.441 31.826 31.700 -0.526 0.000 0.898 378 Y N -2.085 118.133 120.300 -0.136 0.000 2.581 378 Y HA 0.655 5.206 4.550 0.002 0.000 0.337 378 Y C -1.367 174.524 175.900 -0.015 0.000 1.108 378 Y CA -1.389 56.680 58.100 -0.051 0.000 1.033 378 Y CB 1.215 39.663 38.460 -0.019 0.000 1.318 378 Y HN 0.313 nan 8.280 nan 0.000 0.459 379 Q N 3.064 122.997 119.800 0.221 0.000 2.310 379 Q HA 0.616 4.957 4.340 0.002 0.000 0.270 379 Q C -1.867 174.283 176.000 0.250 0.000 1.025 379 Q CA -0.413 55.475 55.803 0.142 0.000 0.772 379 Q CB 1.637 30.420 28.738 0.074 0.000 1.253 379 Q HN 0.862 nan 8.270 nan 0.000 0.450 380 I N 3.641 124.374 120.570 0.271 0.000 2.499 380 I HA 0.408 4.579 4.170 0.002 0.000 0.296 380 I C -0.428 175.782 176.117 0.156 0.000 0.992 380 I CA -0.956 60.485 61.300 0.235 0.000 1.297 380 I CB 1.587 39.741 38.000 0.257 0.000 1.410 380 I HN 0.414 nan 8.210 nan 0.000 0.507 381 V N 3.881 123.875 119.914 0.133 0.000 2.732 381 V HA 0.562 4.683 4.120 0.002 0.000 0.310 381 V C 0.310 176.470 176.094 0.110 0.000 1.053 381 V CA -0.385 61.974 62.300 0.100 0.000 0.957 381 V CB 1.556 33.421 31.823 0.071 0.000 1.018 381 V HN 1.027 nan 8.190 nan 0.000 0.452 382 G N 2.573 111.433 108.800 0.100 0.000 2.402 382 G HA2 0.281 4.242 3.960 0.002 0.000 0.206 382 G HA3 0.281 4.242 3.960 0.002 0.000 0.206 382 G C 0.527 175.505 174.900 0.130 0.000 0.637 382 G CA 0.337 45.505 45.100 0.113 0.000 0.974 382 G HN 2.149 nan 8.290 nan 0.000 0.308 383 G N -0.255 108.620 108.800 0.125 0.000 3.198 383 G HA2 0.398 4.359 3.960 0.002 0.000 0.228 383 G HA3 0.398 4.359 3.960 0.002 0.000 0.228 383 G C -0.295 174.678 174.900 0.121 0.000 1.499 383 G CA 0.058 45.234 45.100 0.127 0.000 1.104 383 G HN 1.680 nan 8.290 nan 0.000 0.563 384 L N 0.219 121.515 121.223 0.122 0.000 2.378 384 L HA 0.322 4.663 4.340 0.002 0.000 0.256 384 L C -0.587 176.362 176.870 0.130 0.000 1.316 384 L CA -0.470 54.444 54.840 0.124 0.000 0.835 384 L CB 0.725 42.850 42.059 0.109 0.000 0.987 384 L HN 0.068 nan 8.230 nan 0.000 0.534 385 K N 0.021 120.513 120.400 0.153 0.000 2.218 385 K HA 0.331 4.652 4.320 0.002 0.000 0.276 385 K C 0.577 177.303 176.600 0.210 0.000 1.022 385 K CA -0.310 56.055 56.287 0.131 0.000 0.946 385 K CB 0.681 33.297 32.500 0.193 0.000 1.000 385 K HN 0.169 nan 8.250 nan 0.000 0.468 386 F N 2.917 122.848 119.950 -0.031 0.000 2.084 386 F HA -0.210 4.318 4.527 0.002 0.000 0.296 386 F C 1.607 177.498 175.800 0.151 0.000 1.111 386 F CA 1.508 59.535 58.000 0.044 0.000 1.224 386 F CB -0.297 38.710 39.000 0.011 0.000 0.991 386 F HN 0.715 nan 8.300 nan 0.000 0.471 387 Y N 0.854 121.214 120.300 0.100 0.000 2.680 387 Y HA 0.084 4.635 4.550 0.002 0.000 0.303 387 Y C 0.843 176.724 175.900 -0.033 0.000 1.166 387 Y CA 0.154 58.234 58.100 -0.034 0.000 1.344 387 Y CB -2.361 36.131 38.460 0.053 0.000 1.002 387 Y HN 0.319 nan 8.280 nan 0.000 0.537 388 D N -0.400 120.260 120.400 0.433 0.000 2.501 388 D HA 0.168 4.809 4.640 0.002 0.000 0.226 388 D C -0.210 176.148 176.300 0.097 0.000 1.198 388 D CA -0.254 53.867 54.000 0.203 0.000 0.830 388 D CB -0.182 40.760 40.800 0.237 0.000 1.014 388 D HN 0.111 nan 8.370 nan 0.000 0.496 389 R N 0.729 121.253 120.500 0.040 0.000 2.338 389 R HA 0.281 4.622 4.340 0.002 0.000 0.317 389 R C 1.353 177.623 176.300 -0.051 0.000 0.968 389 R CA -0.627 55.470 56.100 -0.005 0.000 0.849 389 R CB 1.401 31.686 30.300 -0.025 0.000 1.128 389 R HN -0.111 nan 8.270 nan 0.000 0.448 390 K N 2.660 123.053 120.400 -0.012 0.000 2.049 390 K HA -0.309 4.012 4.320 0.002 0.000 0.219 390 K C 1.357 177.952 176.600 -0.008 0.000 1.056 390 K CA 2.363 58.650 56.287 -0.000 0.000 0.946 390 K CB 0.143 32.662 32.500 0.032 0.000 0.723 390 K HN 0.725 nan 8.250 nan 0.000 0.453 391 E N 0.456 120.657 120.200 0.002 0.000 2.153 391 E HA -0.213 4.139 4.350 0.002 0.000 0.194 391 E C 1.993 178.424 176.600 -0.282 0.000 0.988 391 E CA 1.239 57.632 56.400 -0.011 0.000 0.811 391 E CB -0.322 29.414 29.700 0.059 0.000 0.746 391 E HN 0.352 nan 8.360 nan 0.000 0.466 392 I N 1.830 122.194 120.570 -0.344 0.000 2.193 392 I HA -0.185 3.986 4.170 0.002 0.000 0.240 392 I C 2.473 178.353 176.117 -0.395 0.000 1.084 392 I CA 1.371 62.338 61.300 -0.556 0.000 1.365 392 I CB -0.267 37.310 38.000 -0.705 0.000 1.064 392 I HN -0.006 nan 8.210 nan 0.000 0.410 393 K N 0.160 120.427 120.400 -0.221 0.000 2.097 393 K HA -0.187 4.134 4.320 0.002 0.000 0.206 393 K C 1.724 178.258 176.600 -0.109 0.000 1.049 393 K CA 1.548 57.757 56.287 -0.130 0.000 0.933 393 K CB -0.323 32.127 32.500 -0.083 0.000 0.717 393 K HN 0.277 nan 8.250 nan 0.000 0.442 394 D N 1.220 121.557 120.400 -0.104 0.000 2.088 394 D HA -0.166 4.475 4.640 0.002 0.000 0.191 394 D C 1.853 178.130 176.300 -0.039 0.000 0.992 394 D CA 0.945 54.928 54.000 -0.028 0.000 0.831 394 D CB -0.322 40.508 40.800 0.049 0.000 0.973 394 D HN 0.030 nan 8.370 nan 0.000 0.447 395 I N 0.626 120.997 120.570 -0.331 0.000 2.361 395 I HA -0.179 3.992 4.170 0.002 0.000 0.251 395 I C 2.176 178.179 176.117 -0.190 0.000 1.133 395 I CA 0.913 61.980 61.300 -0.388 0.000 1.413 395 I CB -0.159 37.408 38.000 -0.722 0.000 1.073 395 I HN 0.004 nan 8.210 nan 0.000 0.424 396 L N -0.061 121.036 121.223 -0.210 0.000 2.017 396 L HA -0.195 4.146 4.340 0.002 0.000 0.208 396 L C 2.658 179.544 176.870 0.027 0.000 1.073 396 L CA 1.453 56.265 54.840 -0.047 0.000 0.745 396 L CB -0.751 41.277 42.059 -0.051 0.000 0.894 396 L HN 0.338 nan 8.230 nan 0.000 0.432 397 A N -0.718 122.107 122.820 0.010 0.000 1.917 397 A HA -0.294 4.027 4.320 0.002 0.000 0.219 397 A C 1.999 179.613 177.584 0.050 0.000 1.182 397 A CA 1.759 53.802 52.037 0.009 0.000 0.633 397 A CB -1.014 17.966 19.000 -0.033 0.000 0.819 397 A HN 0.418 nan 8.150 nan 0.000 0.448 398 Y N -0.042 120.254 120.300 -0.007 0.000 2.128 398 Y HA -0.172 4.379 4.550 0.002 0.000 0.284 398 Y C 2.227 178.141 175.900 0.023 0.000 1.154 398 Y CA 1.760 59.879 58.100 0.032 0.000 1.149 398 Y CB -0.344 38.074 38.460 -0.069 0.000 0.976 398 Y HN 0.194 nan 8.280 nan 0.000 0.505 399 L N -0.668 120.654 121.223 0.166 0.000 2.265 399 L HA -0.199 4.142 4.340 0.002 0.000 0.215 399 L C 2.322 179.242 176.870 0.082 0.000 1.117 399 L CA 1.083 55.988 54.840 0.108 0.000 0.782 399 L CB -0.398 41.740 42.059 0.132 0.000 0.914 399 L HN 0.207 nan 8.230 nan 0.000 0.441 400 R N -0.210 120.332 120.500 0.070 0.000 2.066 400 R HA -0.074 4.267 4.340 0.002 0.000 0.224 400 R C 2.244 178.554 176.300 0.016 0.000 1.122 400 R CA 1.376 57.495 56.100 0.030 0.000 0.974 400 R CB -0.302 30.009 30.300 0.019 0.000 0.871 400 R HN 0.335 nan 8.270 nan 0.000 0.435 401 V N -1.169 118.771 119.914 0.044 0.000 3.078 401 V HA -0.074 4.047 4.120 0.002 0.000 0.265 401 V C 1.768 177.856 176.094 -0.009 0.000 1.122 401 V CA 1.424 63.744 62.300 0.033 0.000 1.141 401 V CB -0.560 31.334 31.823 0.118 0.000 0.735 401 V HN 0.210 nan 8.190 nan 0.000 0.498 402 I N 0.557 121.151 120.570 0.042 0.000 2.716 402 I HA 0.116 4.287 4.170 0.002 0.000 0.259 402 I C 2.580 178.673 176.117 -0.039 0.000 1.172 402 I CA 1.167 62.487 61.300 0.035 0.000 1.478 402 I CB -0.198 37.866 38.000 0.107 0.000 1.104 402 I HN 0.382 nan 8.210 nan 0.000 0.439 403 A N -0.464 122.332 122.820 -0.041 0.000 2.169 403 A HA 0.076 4.397 4.320 0.002 0.000 0.210 403 A C 0.990 178.514 177.584 -0.099 0.000 1.168 403 A CA 0.232 52.229 52.037 -0.066 0.000 0.813 403 A CB -0.100 18.872 19.000 -0.046 0.000 0.861 403 A HN 0.449 nan 8.150 nan 0.000 0.481 404 N N -0.044 118.592 118.700 -0.107 0.000 2.732 404 N HA 0.120 4.861 4.740 0.002 0.000 0.235 404 N C -2.423 173.001 175.510 -0.143 0.000 1.466 404 N CA -1.103 51.880 53.050 -0.112 0.000 0.751 404 N CB 1.229 39.688 38.487 -0.047 0.000 1.317 404 N HN -0.058 nan 8.380 nan 0.000 0.525 405 P HA -0.119 nan 4.420 nan 0.000 0.223 405 P C 0.035 177.236 177.300 -0.166 0.000 1.140 405 P CA 1.177 63.978 63.100 -0.498 0.000 0.783 405 P CB 0.321 31.421 31.700 -0.999 0.000 0.759 406 D N -0.927 119.433 120.400 -0.067 0.000 2.328 406 D HA -0.008 4.633 4.640 0.002 0.000 0.221 406 D C 0.315 176.665 176.300 0.083 0.000 1.072 406 D CA 0.263 54.299 54.000 0.060 0.000 0.850 406 D CB -0.453 40.441 40.800 0.157 0.000 0.922 406 D HN 0.034 nan 8.370 nan 0.000 0.516 407 D N 0.496 120.925 120.400 0.049 0.000 2.494 407 D HA 0.008 4.650 4.640 0.002 0.000 0.217 407 D C 0.334 176.666 176.300 0.053 0.000 1.153 407 D CA -0.174 53.854 54.000 0.047 0.000 0.954 407 D CB 0.495 41.312 40.800 0.028 0.000 1.034 407 D HN -0.062 nan 8.370 nan 0.000 0.518 408 D N 2.560 122.992 120.400 0.054 0.000 2.178 408 D HA -0.120 4.521 4.640 0.002 0.000 0.202 408 D C 2.110 178.430 176.300 0.034 0.000 0.974 408 D CA 0.649 54.684 54.000 0.058 0.000 0.841 408 D CB 0.218 41.048 40.800 0.050 0.000 0.953 408 D HN 0.461 nan 8.370 nan 0.000 0.478 409 L N 0.510 121.740 121.223 0.012 0.000 2.012 409 L HA -0.169 4.172 4.340 0.002 0.000 0.210 409 L C 2.438 179.305 176.870 -0.006 0.000 1.073 409 L CA 1.155 55.993 54.840 -0.003 0.000 0.748 409 L CB -0.618 41.429 42.059 -0.019 0.000 0.891 409 L HN -0.076 nan 8.230 nan 0.000 0.431 410 S N 0.153 115.852 115.700 -0.002 0.000 2.368 410 S HA -0.128 4.343 4.470 0.002 0.000 0.224 410 S C 1.853 176.448 174.600 -0.009 0.000 1.029 410 S CA 1.168 59.361 58.200 -0.010 0.000 0.988 410 S CB -0.354 62.846 63.200 -0.000 0.000 0.838 410 S HN 0.263 nan 8.310 nan 0.000 0.462 411 L N 1.469 122.715 121.223 0.039 0.000 2.156 411 L HA 0.173 4.515 4.340 0.002 0.000 0.208 411 L C 1.747 178.644 176.870 0.045 0.000 1.095 411 L CA 1.460 56.351 54.840 0.085 0.000 0.770 411 L CB -0.561 41.598 42.059 0.166 0.000 0.914 411 L HN 0.264 nan 8.230 nan 0.000 0.439 412 L N -0.893 120.342 121.223 0.020 0.000 2.341 412 L HA -0.059 4.282 4.340 0.002 0.000 0.214 412 L C 2.629 179.478 176.870 -0.034 0.000 1.115 412 L CA 0.776 55.614 54.840 -0.003 0.000 0.820 412 L CB -0.276 41.787 42.059 0.006 0.000 0.944 412 L HN 0.301 nan 8.230 nan 0.000 0.452 413 R N 1.447 121.924 120.500 -0.038 0.000 2.092 413 R HA -0.141 4.200 4.340 0.002 0.000 0.231 413 R C 1.535 177.793 176.300 -0.069 0.000 1.119 413 R CA 1.805 57.879 56.100 -0.044 0.000 0.970 413 R CB -0.028 30.249 30.300 -0.038 0.000 0.864 413 R HN 0.414 nan 8.270 nan 0.000 0.440 414 I N -1.941 118.546 120.570 -0.138 0.000 4.050 414 I HA 0.268 4.439 4.170 0.002 0.000 0.327 414 I C 1.161 177.053 176.117 -0.376 0.000 1.473 414 I CA -0.352 60.809 61.300 -0.232 0.000 1.124 414 I CB 0.071 37.776 38.000 -0.490 0.000 1.129 414 I HN 0.100 nan 8.210 nan 0.000 0.428 415 I N 1.256 121.626 120.570 -0.334 0.000 2.700 415 I HA -0.125 4.046 4.170 0.002 0.000 0.261 415 I C 1.192 176.904 176.117 -0.675 0.000 1.219 415 I CA 1.598 62.519 61.300 -0.631 0.000 1.463 415 I CB 0.083 37.943 38.000 -0.234 0.000 1.092 415 I HN 0.505 nan 8.210 nan 0.000 0.452 416 N N -1.666 116.827 118.700 -0.344 0.000 2.286 416 N HA 0.101 4.842 4.740 0.002 0.000 0.245 416 N C 0.774 176.224 175.510 -0.099 0.000 1.363 416 N CA 0.091 53.011 53.050 -0.217 0.000 0.822 416 N CB 0.277 38.676 38.487 -0.146 0.000 1.345 416 N HN 0.044 nan 8.380 nan 0.000 0.494 417 V N 1.151 121.037 119.914 -0.048 0.000 2.222 417 V HA 0.022 4.143 4.120 0.002 0.000 0.240 417 V C -1.545 174.568 176.094 0.031 0.000 1.040 417 V CA 1.411 63.735 62.300 0.041 0.000 0.988 417 V CB -0.791 31.137 31.823 0.175 0.000 0.633 417 V HN 0.231 nan 8.190 nan 0.000 0.452 418 P HA 0.059 nan 4.420 nan 0.000 0.265 418 P C -0.534 176.770 177.300 0.006 0.000 1.222 418 P CA -0.099 63.010 63.100 0.015 0.000 0.767 418 P CB 0.038 31.791 31.700 0.088 0.000 0.801 419 K N 4.098 124.482 120.400 -0.027 0.000 2.511 419 K HA -0.133 4.188 4.320 0.002 0.000 0.277 419 K C 1.104 177.694 176.600 -0.016 0.000 1.025 419 K CA 0.903 57.172 56.287 -0.030 0.000 1.112 419 K CB 0.027 32.509 32.500 -0.030 0.000 0.859 419 K HN 0.571 nan 8.250 nan 0.000 0.485 420 R N 1.436 121.918 120.500 -0.031 0.000 2.592 420 R HA 0.247 4.588 4.340 0.002 0.000 0.439 420 R C 0.888 177.177 176.300 -0.019 0.000 0.995 420 R CA 0.068 56.160 56.100 -0.013 0.000 1.141 420 R CB 0.297 30.592 30.300 -0.008 0.000 1.495 420 R HN 0.708 nan 8.270 nan 0.000 0.579 421 G N 1.711 110.495 108.800 -0.026 0.000 2.284 421 G HA2 -0.281 3.680 3.960 0.002 0.000 0.230 421 G HA3 -0.281 3.680 3.960 0.002 0.000 0.230 421 G C 0.213 175.095 174.900 -0.030 0.000 1.021 421 G CA -0.002 45.086 45.100 -0.022 0.000 0.619 421 G HN 0.249 nan 8.290 nan 0.000 0.510 422 I N 3.127 123.668 120.570 -0.048 0.000 2.453 422 I HA 0.479 4.650 4.170 0.002 0.000 0.300 422 I C 1.282 177.369 176.117 -0.051 0.000 1.159 422 I CA 0.657 61.925 61.300 -0.053 0.000 1.379 422 I CB 0.279 38.227 38.000 -0.086 0.000 1.460 422 I HN 0.286 nan 8.210 nan 0.000 0.601 423 G N 3.290 112.070 108.800 -0.033 0.000 2.597 423 G HA2 0.548 4.509 3.960 0.002 0.000 0.317 423 G HA3 0.548 4.509 3.960 0.002 0.000 0.317 423 G C 0.911 175.799 174.900 -0.020 0.000 1.230 423 G CA -0.151 44.932 45.100 -0.028 0.000 0.996 423 G HN 0.617 nan 8.290 nan 0.000 0.490 424 A N 0.342 123.153 122.820 -0.016 0.000 1.888 424 A HA -0.284 4.038 4.320 0.002 0.000 0.249 424 A C 2.651 180.233 177.584 -0.004 0.000 2.120 424 A CA 3.435 55.467 52.037 -0.009 0.000 0.772 424 A CB -1.313 17.683 19.000 -0.006 0.000 0.844 424 A HN 0.838 nan 8.150 nan 0.000 0.525 425 S N -1.382 114.315 115.700 -0.004 0.000 2.338 425 S HA -0.116 4.355 4.470 0.002 0.000 0.218 425 S C 2.034 176.634 174.600 0.000 0.000 1.032 425 S CA 1.730 59.930 58.200 -0.000 0.000 0.999 425 S CB -0.900 62.299 63.200 -0.002 0.000 0.905 425 S HN 0.744 nan 8.310 nan 0.000 0.439 426 T N 2.853 117.403 114.554 -0.006 0.000 2.721 426 T HA -0.093 4.258 4.350 0.002 0.000 0.268 426 T C 1.712 176.411 174.700 -0.001 0.000 1.038 426 T CA 1.294 63.389 62.100 -0.008 0.000 1.145 426 T CB -0.532 68.327 68.868 -0.015 0.000 0.858 426 T HN 0.267 nan 8.240 nan 0.000 0.459 427 I N 0.879 121.447 120.570 -0.002 0.000 2.142 427 I HA -0.167 4.004 4.170 0.002 0.000 0.240 427 I C 2.695 178.823 176.117 0.019 0.000 1.078 427 I CA 1.426 62.729 61.300 0.005 0.000 1.343 427 I CB -0.335 37.662 38.000 -0.006 0.000 1.046 427 I HN 0.254 nan 8.210 nan 0.000 0.405 428 D N 1.096 121.506 120.400 0.017 0.000 2.123 428 D HA -0.220 4.421 4.640 0.002 0.000 0.196 428 D C 2.086 178.410 176.300 0.040 0.000 0.992 428 D CA 1.305 55.321 54.000 0.026 0.000 0.833 428 D CB 0.076 40.888 40.800 0.020 0.000 0.954 428 D HN 0.168 nan 8.370 nan 0.000 0.455 429 K N 0.260 120.681 120.400 0.035 0.000 2.103 429 K HA -0.172 4.149 4.320 0.002 0.000 0.207 429 K C 2.264 178.909 176.600 0.075 0.000 1.048 429 K CA 0.469 56.783 56.287 0.045 0.000 0.930 429 K CB -0.293 32.217 32.500 0.016 0.000 0.716 429 K HN 0.230 nan 8.250 nan 0.000 0.444 430 L N 0.487 121.747 121.223 0.063 0.000 2.068 430 L HA -0.105 4.237 4.340 0.002 0.000 0.204 430 L C 2.087 179.031 176.870 0.123 0.000 1.076 430 L CA 1.059 55.953 54.840 0.090 0.000 0.753 430 L CB -0.275 41.817 42.059 0.055 0.000 0.910 430 L HN -0.190 nan 8.230 nan 0.000 0.439 431 V N 0.278 120.243 119.914 0.085 0.000 2.324 431 V HA -0.323 3.798 4.120 0.002 0.000 0.250 431 V C 2.809 178.953 176.094 0.084 0.000 1.060 431 V CA 2.306 64.650 62.300 0.074 0.000 1.042 431 V CB -0.820 31.032 31.823 0.049 0.000 0.650 431 V HN 0.491 nan 8.190 nan 0.000 0.450 432 R N -0.960 119.597 120.500 0.095 0.000 2.062 432 R HA -0.184 4.157 4.340 0.002 0.000 0.231 432 R C 2.305 178.690 176.300 0.142 0.000 1.136 432 R CA 1.911 58.069 56.100 0.098 0.000 0.948 432 R CB -0.403 29.953 30.300 0.094 0.000 0.845 432 R HN 0.595 nan 8.270 nan 0.000 0.430 433 Y N 0.511 120.856 120.300 0.075 0.000 2.688 433 Y HA -0.028 4.523 4.550 0.003 0.000 0.311 433 Y C 1.258 177.251 175.900 0.155 0.000 1.185 433 Y CA 0.475 58.651 58.100 0.127 0.000 1.336 433 Y CB 0.016 38.504 38.460 0.047 0.000 1.015 433 Y HN 0.183 nan 8.280 nan 0.000 0.522 434 A N -0.275 122.601 122.820 0.094 0.000 1.909 434 A HA 0.249 4.570 4.320 0.002 0.000 0.210 434 A C 2.305 179.898 177.584 0.016 0.000 1.273 434 A CA 0.674 52.739 52.037 0.047 0.000 0.654 434 A CB -1.229 17.820 19.000 0.082 0.000 0.945 434 A HN 0.418 nan 8.150 nan 0.000 0.471 435 A N 0.248 123.078 122.820 0.016 0.000 1.940 435 A HA -0.204 4.117 4.320 0.002 0.000 0.219 435 A C 1.632 179.184 177.584 -0.053 0.000 1.176 435 A CA 2.103 54.133 52.037 -0.011 0.000 0.631 435 A CB -0.766 18.230 19.000 -0.007 0.000 0.814 435 A HN 0.408 nan 8.150 nan 0.000 0.446 436 D N -1.086 119.275 120.400 -0.065 0.000 2.315 436 D HA -0.114 4.527 4.640 0.002 0.000 0.211 436 D C 0.947 176.974 176.300 -0.455 0.000 0.977 436 D CA 1.058 54.938 54.000 -0.199 0.000 0.894 436 D CB -0.183 40.531 40.800 -0.143 0.000 0.910 436 D HN 0.700 nan 8.370 nan 0.000 0.490 437 H N -0.926 118.007 119.070 -0.228 0.000 2.767 437 H HA 0.163 4.720 4.556 0.001 0.000 0.260 437 H C -0.166 175.093 175.328 -0.115 0.000 1.172 437 H CA -0.042 55.883 56.048 -0.205 0.000 1.048 437 H CB 0.610 30.170 29.762 -0.336 0.000 1.697 437 H HN 0.150 nan 8.280 nan 0.000 0.606 438 E N 0.854 121.044 120.200 -0.017 0.000 2.440 438 E HA -0.210 4.142 4.350 0.002 0.000 0.246 438 E C -0.841 175.774 176.600 0.026 0.000 1.165 438 E CA 0.101 56.499 56.400 -0.004 0.000 0.726 438 E CB -0.980 28.712 29.700 -0.013 0.000 1.271 438 E HN 0.179 nan 8.360 nan 0.000 0.397 439 L N 0.446 121.691 121.223 0.037 0.000 2.331 439 L HA 0.323 4.664 4.340 0.002 0.000 0.275 439 L C 0.762 177.673 176.870 0.068 0.000 1.022 439 L CA -0.126 54.746 54.840 0.053 0.000 0.812 439 L CB 1.752 43.836 42.059 0.041 0.000 1.257 439 L HN 0.158 nan 8.230 nan 0.000 0.435 440 S N 1.999 117.756 115.700 0.095 0.000 2.603 440 S HA 0.296 4.767 4.470 0.002 0.000 0.268 440 S C 1.231 175.912 174.600 0.136 0.000 1.317 440 S CA -0.587 57.682 58.200 0.115 0.000 1.012 440 S CB 0.453 63.738 63.200 0.142 0.000 0.926 440 S HN 0.574 nan 8.310 nan 0.000 0.539 441 L N 0.418 121.723 121.223 0.136 0.000 2.187 441 L HA -0.053 4.289 4.340 0.002 0.000 0.213 441 L C 2.103 179.059 176.870 0.143 0.000 1.100 441 L CA 1.314 56.232 54.840 0.131 0.000 0.765 441 L CB -0.518 41.613 42.059 0.120 0.000 0.904 441 L HN 0.786 nan 8.230 nan 0.000 0.437 442 F N 0.891 120.872 119.950 0.051 0.000 2.098 442 F HA -0.177 4.351 4.527 0.001 0.000 0.294 442 F C 2.451 178.268 175.800 0.027 0.000 1.107 442 F CA 1.588 59.608 58.000 0.034 0.000 1.234 442 F CB -0.016 38.998 39.000 0.022 0.000 1.002 442 F HN -0.015 nan 8.300 nan 0.000 0.472 443 E N -0.011 120.358 120.200 0.282 0.000 2.110 443 E HA -0.197 4.154 4.350 0.002 0.000 0.193 443 E C 2.226 178.873 176.600 0.078 0.000 0.988 443 E CA 0.959 57.464 56.400 0.175 0.000 0.804 443 E CB -0.345 29.450 29.700 0.159 0.000 0.745 443 E HN 0.480 nan 8.360 nan 0.000 0.458 444 A N 0.825 123.699 122.820 0.090 0.000 2.015 444 A HA -0.098 4.223 4.320 0.002 0.000 0.219 444 A C 2.076 179.687 177.584 0.045 0.000 1.163 444 A CA 0.644 52.754 52.037 0.122 0.000 0.646 444 A CB -0.354 18.751 19.000 0.174 0.000 0.806 444 A HN 0.207 nan 8.150 nan 0.000 0.448 445 L N -0.875 120.322 121.223 -0.043 0.000 2.156 445 L HA -0.074 4.267 4.340 0.002 0.000 0.208 445 L C 2.605 179.376 176.870 -0.165 0.000 1.095 445 L CA 1.040 55.801 54.840 -0.133 0.000 0.770 445 L CB -0.480 41.421 42.059 -0.263 0.000 0.914 445 L HN 0.489 nan 8.230 nan 0.000 0.439 446 G N -0.632 108.072 108.800 -0.160 0.000 2.404 446 G HA2 -0.216 3.745 3.960 0.002 0.000 0.215 446 G HA3 -0.216 3.745 3.960 0.002 0.000 0.215 446 G C 0.956 175.814 174.900 -0.071 0.000 1.174 446 G CA 0.126 45.154 45.100 -0.119 0.000 0.780 446 G HN 0.424 nan 8.290 nan 0.000 0.537 447 E N 0.733 120.913 120.200 -0.034 0.000 2.424 447 E HA 0.125 4.476 4.350 0.002 0.000 0.237 447 E C 1.553 178.090 176.600 -0.104 0.000 1.381 447 E CA -0.534 55.848 56.400 -0.031 0.000 1.587 447 E CB 0.210 29.941 29.700 0.051 0.000 1.398 447 E HN 0.247 nan 8.360 nan 0.000 0.439 448 L N 1.016 122.172 121.223 -0.112 0.000 2.127 448 L HA -0.160 4.181 4.340 0.002 0.000 0.211 448 L C 1.295 178.062 176.870 -0.171 0.000 1.089 448 L CA 1.801 56.557 54.840 -0.140 0.000 0.757 448 L CB -0.079 41.917 42.059 -0.105 0.000 0.899 448 L HN 0.107 nan 8.230 nan 0.000 0.434 449 E N -0.202 119.914 120.200 -0.140 0.000 2.232 449 E HA 0.097 4.448 4.350 0.002 0.000 0.296 449 E C 0.139 176.645 176.600 -0.157 0.000 1.372 449 E CA -0.019 56.303 56.400 -0.129 0.000 1.527 449 E CB -0.196 29.454 29.700 -0.082 0.000 1.424 449 E HN 0.501 nan 8.360 nan 0.000 0.485 450 M N 1.304 120.738 119.600 -0.276 0.000 3.011 450 M HA 0.092 4.573 4.480 0.002 0.000 0.478 450 M C 0.122 176.102 176.300 -0.534 0.000 1.360 450 M CA -0.046 55.066 55.300 -0.315 0.000 0.835 450 M CB 0.593 33.044 32.600 -0.249 0.000 1.749 450 M HN 0.196 nan 8.290 nan 0.000 0.594 451 I N -1.011 119.275 120.570 -0.473 0.000 3.718 451 I HA 0.442 4.614 4.170 0.002 0.000 0.297 451 I C 1.678 177.691 176.117 -0.173 0.000 1.220 451 I CA 1.381 62.442 61.300 -0.399 0.000 1.381 451 I CB -0.552 37.231 38.000 -0.362 0.000 1.238 451 I HN 0.448 nan 8.210 nan 0.000 0.448 452 G N 1.758 110.473 108.800 -0.142 0.000 3.642 452 G HA2 -0.314 3.647 3.960 0.002 0.000 0.205 452 G HA3 -0.314 3.647 3.960 0.002 0.000 0.205 452 G C 0.787 175.645 174.900 -0.070 0.000 1.526 452 G CA 0.210 45.261 45.100 -0.081 0.000 1.097 452 G HN 0.234 nan 8.290 nan 0.000 0.596 453 L N -0.879 120.305 121.223 -0.064 0.000 4.142 453 L HA -0.119 4.222 4.340 0.002 0.000 0.053 453 L C 1.646 178.495 176.870 -0.035 0.000 3.897 453 L CA 2.723 57.533 54.840 -0.049 0.000 1.100 453 L CB -1.474 40.549 42.059 -0.059 0.000 3.275 453 L HN 2.482 nan 8.230 nan 0.000 0.858 454 G N -2.325 106.454 108.800 -0.035 0.000 3.246 454 G HA2 0.585 4.547 3.960 0.002 0.000 0.234 454 G HA3 0.585 4.547 3.960 0.002 0.000 0.234 454 G C 0.369 175.255 174.900 -0.024 0.000 3.750 454 G CA 0.555 45.639 45.100 -0.027 0.000 0.588 454 G HN 1.829 nan 8.290 nan 0.000 0.345 455 A N 0.184 122.988 122.820 -0.027 0.000 1.283 455 A HA -0.403 3.918 4.320 0.002 0.000 0.229 455 A C 2.129 179.701 177.584 -0.020 0.000 0.488 455 A CA 3.042 55.066 52.037 -0.023 0.000 1.094 455 A CB -1.612 17.377 19.000 -0.018 0.000 1.470 455 A HN 1.608 nan 8.150 nan 0.000 0.723 456 K N -0.293 120.097 120.400 -0.017 0.000 1.978 456 K HA 0.016 4.337 4.320 0.002 0.000 0.214 456 K C 2.351 178.942 176.600 -0.015 0.000 1.049 456 K CA 2.357 58.636 56.287 -0.014 0.000 0.939 456 K CB -0.526 31.967 32.500 -0.012 0.000 0.721 456 K HN 1.103 nan 8.250 nan 0.000 0.441 457 A N 0.961 123.771 122.820 -0.018 0.000 1.873 457 A HA -0.198 4.123 4.320 0.002 0.000 0.218 457 A C 2.371 179.941 177.584 -0.022 0.000 1.193 457 A CA 2.418 54.443 52.037 -0.020 0.000 0.629 457 A CB -1.140 17.846 19.000 -0.023 0.000 0.826 457 A HN 0.574 nan 8.150 nan 0.000 0.447 458 A N -0.903 121.898 122.820 -0.031 0.000 2.015 458 A HA 0.200 4.521 4.320 0.002 0.000 0.219 458 A C 2.320 179.887 177.584 -0.029 0.000 1.163 458 A CA 1.750 53.764 52.037 -0.039 0.000 0.646 458 A CB -1.153 17.816 19.000 -0.052 0.000 0.806 458 A HN 0.733 nan 8.150 nan 0.000 0.448 459 G N -0.476 108.312 108.800 -0.021 0.000 2.402 459 G HA2 0.067 4.028 3.960 0.002 0.000 0.216 459 G HA3 0.067 4.028 3.960 0.002 0.000 0.216 459 G C 1.684 176.583 174.900 -0.002 0.000 1.162 459 G CA 1.117 46.209 45.100 -0.015 0.000 0.777 459 G HN 0.734 nan 8.290 nan 0.000 0.539 460 A N 0.130 122.951 122.820 0.003 0.000 2.015 460 A HA 0.241 4.563 4.320 0.002 0.000 0.219 460 A C 2.356 179.969 177.584 0.048 0.000 1.163 460 A CA 0.914 52.963 52.037 0.020 0.000 0.646 460 A CB -0.214 18.790 19.000 0.007 0.000 0.806 460 A HN 0.360 nan 8.150 nan 0.000 0.448 461 L N -1.352 119.891 121.223 0.032 0.000 2.168 461 L HA 0.015 4.356 4.340 0.002 0.000 0.203 461 L C 3.004 179.892 176.870 0.029 0.000 1.078 461 L CA 0.749 55.624 54.840 0.058 0.000 0.780 461 L CB -0.505 41.564 42.059 0.016 0.000 0.939 461 L HN 0.358 nan 8.230 nan 0.000 0.451 462 A N 0.448 123.260 122.820 -0.014 0.000 1.940 462 A HA -0.197 4.125 4.320 0.002 0.000 0.219 462 A C 2.489 180.044 177.584 -0.049 0.000 1.176 462 A CA 1.921 53.929 52.037 -0.047 0.000 0.631 462 A CB -0.589 18.382 19.000 -0.047 0.000 0.814 462 A HN 0.403 nan 8.150 nan 0.000 0.446 463 A N -1.225 121.590 122.820 -0.008 0.000 1.854 463 A HA 0.044 4.366 4.320 0.002 0.000 0.214 463 A C 1.991 179.581 177.584 0.009 0.000 1.192 463 A CA 1.459 53.493 52.037 -0.005 0.000 0.611 463 A CB -0.767 18.250 19.000 0.028 0.000 0.832 463 A HN 0.650 nan 8.150 nan 0.000 0.442 464 F N 1.482 121.394 119.950 -0.064 0.000 2.202 464 F HA -0.208 4.320 4.527 0.002 0.000 0.301 464 F C 2.264 177.998 175.800 -0.111 0.000 1.082 464 F CA 1.711 59.680 58.000 -0.051 0.000 1.313 464 F CB -0.357 38.638 39.000 -0.009 0.000 1.024 464 F HN 0.346 nan 8.300 nan 0.000 0.495 465 R N 0.178 120.526 120.500 -0.253 0.000 2.081 465 R HA -0.131 4.210 4.340 0.002 0.000 0.235 465 R C 2.122 178.212 176.300 -0.351 0.000 1.131 465 R CA 1.991 57.868 56.100 -0.371 0.000 0.960 465 R CB -0.707 29.437 30.300 -0.260 0.000 0.856 465 R HN 0.282 nan 8.270 nan 0.000 0.436 466 S N 0.956 116.494 115.700 -0.269 0.000 2.368 466 S HA -0.176 4.295 4.470 0.002 0.000 0.225 466 S C 1.962 176.316 174.600 -0.409 0.000 1.030 466 S CA 1.338 59.381 58.200 -0.261 0.000 0.999 466 S CB -0.368 62.720 63.200 -0.186 0.000 0.844 466 S HN 0.469 nan 8.310 nan 0.000 0.459 467 Q N 1.030 120.494 119.800 -0.560 0.000 2.050 467 Q HA -0.023 4.318 4.340 0.002 0.000 0.202 467 Q C 2.303 177.582 176.000 -1.202 0.000 0.980 467 Q CA 1.258 56.396 55.803 -1.109 0.000 0.840 467 Q CB -0.540 27.463 28.738 -1.226 0.000 0.898 467 Q HN 0.465 nan 8.270 nan 0.000 0.424 468 L N 0.669 121.467 121.223 -0.708 0.000 1.990 468 L HA -0.265 4.076 4.340 0.002 0.000 0.213 468 L C 2.316 179.151 176.870 -0.059 0.000 1.072 468 L CA 1.509 56.220 54.840 -0.215 0.000 0.755 468 L CB -0.374 41.542 42.059 -0.239 0.000 0.889 468 L HN 0.278 nan 8.230 nan 0.000 0.432 469 E N -0.678 119.442 120.200 -0.133 0.000 2.085 469 E HA -0.280 4.071 4.350 0.002 0.000 0.194 469 E C 2.281 178.850 176.600 -0.050 0.000 0.994 469 E CA 1.201 57.584 56.400 -0.028 0.000 0.801 469 E CB -0.032 29.627 29.700 -0.069 0.000 0.743 469 E HN 0.462 nan 8.360 nan 0.000 0.453 470 Q N -0.643 119.041 119.800 -0.192 0.000 2.084 470 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 470 Q C 1.828 177.829 176.000 0.002 0.000 0.978 470 Q CA 1.196 56.903 55.803 -0.159 0.000 0.844 470 Q CB -0.020 28.517 28.738 -0.334 0.000 0.898 470 Q HN 0.429 nan 8.270 nan 0.000 0.426 471 W N -0.143 121.178 121.300 0.035 0.000 2.436 471 W HA -0.027 4.634 4.660 0.002 0.000 0.284 471 W C 2.004 178.538 176.519 0.025 0.000 1.225 471 W CA 0.916 58.282 57.345 0.036 0.000 1.271 471 W CB -0.883 28.608 29.460 0.051 0.000 1.114 471 W HN 0.131 nan 8.180 nan 0.000 0.559 472 T N -0.050 114.639 114.554 0.226 0.000 2.951 472 T HA -0.179 4.172 4.350 0.002 0.000 0.268 472 T C 1.794 176.532 174.700 0.064 0.000 1.073 472 T CA 1.220 63.394 62.100 0.123 0.000 1.134 472 T CB -0.032 68.897 68.868 0.101 0.000 0.884 472 T HN 0.154 nan 8.240 nan 0.000 0.479 473 Q N 0.256 120.106 119.800 0.084 0.000 2.163 473 Q HA 0.031 4.373 4.340 0.002 0.000 0.198 473 Q C 2.026 178.065 176.000 0.065 0.000 0.954 473 Q CA 0.737 56.587 55.803 0.078 0.000 0.851 473 Q CB -0.099 28.711 28.738 0.120 0.000 0.928 473 Q HN 0.350 nan 8.270 nan 0.000 0.459 474 L N 1.810 123.104 121.223 0.118 0.000 2.141 474 L HA -0.188 4.153 4.340 0.002 0.000 0.209 474 L C 2.621 179.494 176.870 0.004 0.000 1.094 474 L CA 1.777 56.694 54.840 0.128 0.000 0.763 474 L CB -0.963 41.204 42.059 0.180 0.000 0.908 474 L HN 0.370 nan 8.230 nan 0.000 0.437 475 Q N -0.081 119.710 119.800 -0.016 0.000 2.290 475 Q HA -0.284 4.057 4.340 0.002 0.000 0.211 475 Q C 1.558 177.470 176.000 -0.148 0.000 0.991 475 Q CA 2.157 57.927 55.803 -0.056 0.000 0.893 475 Q CB -0.190 28.526 28.738 -0.036 0.000 0.913 475 Q HN 0.616 nan 8.270 nan 0.000 0.428 476 E N -0.950 119.046 120.200 -0.340 0.000 2.385 476 E HA -0.055 4.296 4.350 0.002 0.000 0.194 476 E C 0.122 176.375 176.600 -0.578 0.000 1.013 476 E CA 0.294 56.371 56.400 -0.538 0.000 0.866 476 E CB 0.398 29.599 29.700 -0.832 0.000 0.832 476 E HN 0.518 nan 8.360 nan 0.000 0.500 477 Y N -0.701 119.614 120.300 0.025 0.000 2.660 477 Y HA 0.349 4.900 4.550 0.002 0.000 0.254 477 Y C -0.064 175.847 175.900 0.019 0.000 1.176 477 Y CA -0.353 57.759 58.100 0.020 0.000 1.195 477 Y CB 0.940 39.413 38.460 0.021 0.000 1.190 477 Y HN -0.268 nan 8.280 nan 0.000 0.535 478 V N 0.091 120.050 119.914 0.075 0.000 2.969 478 V HA 0.366 4.487 4.120 0.002 0.000 0.304 478 V C -0.299 175.804 176.094 0.016 0.000 1.192 478 V CA -1.303 61.031 62.300 0.057 0.000 0.962 478 V CB 2.456 34.318 31.823 0.065 0.000 1.045 478 V HN 0.247 nan 8.190 nan 0.000 0.428 479 S N 3.147 118.853 115.700 0.009 0.000 2.584 479 S HA 0.270 4.742 4.470 0.002 0.000 0.270 479 S C 1.226 175.799 174.600 -0.045 0.000 1.346 479 S CA -0.006 58.192 58.200 -0.004 0.000 1.018 479 S CB 1.416 64.614 63.200 -0.005 0.000 0.899 479 S HN 0.640 nan 8.310 nan 0.000 0.542 480 V N 2.189 122.058 119.914 -0.074 0.000 2.282 480 V HA -0.228 3.894 4.120 0.002 0.000 0.249 480 V C 2.792 178.746 176.094 -0.233 0.000 1.057 480 V CA 2.606 64.775 62.300 -0.218 0.000 1.032 480 V CB -1.913 29.627 31.823 -0.473 0.000 0.645 480 V HN 1.045 nan 8.190 nan 0.000 0.447 481 T N -0.606 113.836 114.554 -0.187 0.000 2.684 481 T HA -0.217 4.135 4.350 0.002 0.000 0.267 481 T C 1.896 176.541 174.700 -0.092 0.000 1.036 481 T CA 1.625 63.638 62.100 -0.145 0.000 1.148 481 T CB -0.310 68.505 68.868 -0.089 0.000 0.863 481 T HN 0.462 nan 8.240 nan 0.000 0.436 482 E N 0.590 120.753 120.200 -0.062 0.000 2.110 482 E HA -0.060 4.291 4.350 0.002 0.000 0.193 482 E C 2.188 178.760 176.600 -0.046 0.000 0.988 482 E CA 0.678 57.058 56.400 -0.034 0.000 0.804 482 E CB -0.389 29.307 29.700 -0.007 0.000 0.745 482 E HN 0.306 nan 8.360 nan 0.000 0.458 483 L N 0.311 121.492 121.223 -0.071 0.000 2.023 483 L HA -0.081 4.261 4.340 0.002 0.000 0.205 483 L C 2.325 179.093 176.870 -0.170 0.000 1.073 483 L CA 1.146 55.928 54.840 -0.097 0.000 0.745 483 L CB -0.609 41.399 42.059 -0.085 0.000 0.900 483 L HN -0.130 nan 8.230 nan 0.000 0.435 484 V N 0.089 119.910 119.914 -0.156 0.000 2.392 484 V HA -0.293 3.828 4.120 0.002 0.000 0.249 484 V C 2.608 178.615 176.094 -0.146 0.000 1.059 484 V CA 1.970 64.189 62.300 -0.135 0.000 1.051 484 V CB -0.609 31.193 31.823 -0.034 0.000 0.658 484 V HN 0.506 nan 8.190 nan 0.000 0.455 485 E N -0.617 119.520 120.200 -0.105 0.000 2.047 485 E HA -0.198 4.154 4.350 0.002 0.000 0.191 485 E C 2.349 178.892 176.600 -0.095 0.000 0.987 485 E CA 0.993 57.348 56.400 -0.076 0.000 0.799 485 E CB -0.126 29.550 29.700 -0.038 0.000 0.752 485 E HN 0.557 nan 8.360 nan 0.000 0.449 486 E N 0.491 120.630 120.200 -0.101 0.000 2.110 486 E HA -0.139 4.213 4.350 0.002 0.000 0.193 486 E C 2.248 178.727 176.600 -0.202 0.000 0.988 486 E CA 0.698 57.063 56.400 -0.060 0.000 0.804 486 E CB 0.040 29.751 29.700 0.018 0.000 0.745 486 E HN 0.099 nan 8.360 nan 0.000 0.458 487 V N 1.196 120.801 119.914 -0.514 0.000 2.379 487 V HA -0.202 3.919 4.120 0.002 0.000 0.245 487 V C 2.520 178.274 176.094 -0.566 0.000 1.044 487 V CA 1.107 62.849 62.300 -0.929 0.000 1.036 487 V CB -0.436 30.726 31.823 -1.101 0.000 0.664 487 V HN 0.198 nan 8.190 nan 0.000 0.453 488 L N 0.174 121.180 121.223 -0.362 0.000 2.201 488 L HA -0.146 4.195 4.340 0.002 0.000 0.212 488 L C 2.202 179.028 176.870 -0.074 0.000 1.105 488 L CA 1.562 56.272 54.840 -0.217 0.000 0.775 488 L CB -0.369 41.608 42.059 -0.136 0.000 0.913 488 L HN 0.454 nan 8.230 nan 0.000 0.440 489 D N -0.031 120.333 120.400 -0.060 0.000 2.297 489 D HA -0.127 4.514 4.640 0.002 0.000 0.233 489 D C 1.939 178.289 176.300 0.083 0.000 1.056 489 D CA 0.951 54.964 54.000 0.022 0.000 0.938 489 D CB 0.126 40.943 40.800 0.029 0.000 1.048 489 D HN -0.248 nan 8.370 nan 0.000 0.442 490 K N 0.391 120.880 120.400 0.149 0.000 2.286 490 K HA -0.085 4.237 4.320 0.002 0.000 0.203 490 K C 2.094 178.896 176.600 0.337 0.000 1.045 490 K CA 1.184 57.634 56.287 0.271 0.000 0.935 490 K CB -0.721 32.037 32.500 0.431 0.000 0.737 490 K HN 0.288 nan 8.250 nan 0.000 0.460 491 S N -1.454 114.417 115.700 0.285 0.000 2.446 491 S HA 0.050 4.521 4.470 0.002 0.000 0.225 491 S C 1.525 176.251 174.600 0.211 0.000 1.016 491 S CA 0.813 59.202 58.200 0.315 0.000 0.943 491 S CB -0.056 63.194 63.200 0.084 0.000 0.786 491 S HN 0.383 nan 8.310 nan 0.000 0.508 492 G N -0.014 108.870 108.800 0.140 0.000 2.132 492 G HA2 -0.338 3.624 3.960 0.002 0.000 0.234 492 G HA3 -0.338 3.624 3.960 0.002 0.000 0.234 492 G C 0.225 175.172 174.900 0.079 0.000 0.989 492 G CA 0.417 45.576 45.100 0.099 0.000 0.676 492 G HN 0.555 nan 8.290 nan 0.000 0.522 493 Y N 0.705 120.991 120.300 -0.023 0.000 2.109 493 Y HA -0.011 4.541 4.550 0.002 0.000 0.285 493 Y C 2.966 178.848 175.900 -0.030 0.000 1.131 493 Y CA 2.566 60.643 58.100 -0.039 0.000 1.121 493 Y CB -0.279 38.113 38.460 -0.114 0.000 0.987 493 Y HN 0.258 nan 8.280 nan 0.000 0.495 494 R N 0.063 120.689 120.500 0.211 0.000 2.094 494 R HA -0.196 4.145 4.340 0.002 0.000 0.239 494 R C 2.012 178.331 176.300 0.032 0.000 1.137 494 R CA 1.741 57.915 56.100 0.123 0.000 0.943 494 R CB -0.329 30.027 30.300 0.094 0.000 0.850 494 R HN 0.380 nan 8.270 nan 0.000 0.433 495 E N 0.413 120.628 120.200 0.025 0.000 2.331 495 E HA -0.223 4.128 4.350 0.002 0.000 0.199 495 E C 1.750 178.334 176.600 -0.026 0.000 1.008 495 E CA 1.018 57.422 56.400 0.005 0.000 0.843 495 E CB -0.127 29.583 29.700 0.018 0.000 0.761 495 E HN 0.479 nan 8.360 nan 0.000 0.507 496 M N -0.687 118.870 119.600 -0.072 0.000 2.357 496 M HA -0.024 4.457 4.480 0.002 0.000 0.266 496 M C 1.833 178.066 176.300 -0.112 0.000 1.095 496 M CA 0.896 56.129 55.300 -0.110 0.000 1.156 496 M CB 0.019 32.504 32.600 -0.192 0.000 1.365 496 M HN 0.015 nan 8.290 nan 0.000 0.447 497 L N 0.839 121.990 121.223 -0.119 0.000 2.093 497 L HA -0.145 4.196 4.340 0.002 0.000 0.208 497 L C 2.549 179.401 176.870 -0.032 0.000 1.085 497 L CA 1.089 55.884 54.840 -0.075 0.000 0.755 497 L CB -0.589 41.450 42.059 -0.033 0.000 0.904 497 L HN 0.315 nan 8.230 nan 0.000 0.435 498 K N 0.149 120.538 120.400 -0.019 0.000 2.097 498 K HA -0.103 4.219 4.320 0.002 0.000 0.205 498 K C 2.202 178.796 176.600 -0.011 0.000 1.050 498 K CA 1.377 57.660 56.287 -0.005 0.000 0.938 498 K CB -0.254 32.248 32.500 0.004 0.000 0.718 498 K HN 0.267 nan 8.250 nan 0.000 0.442 499 A N 1.766 124.573 122.820 -0.020 0.000 1.930 499 A HA -0.181 4.140 4.320 0.002 0.000 0.217 499 A C 1.964 179.536 177.584 -0.021 0.000 1.175 499 A CA 1.338 53.364 52.037 -0.019 0.000 0.627 499 A CB -0.383 18.602 19.000 -0.025 0.000 0.815 499 A HN 0.316 nan 8.150 nan 0.000 0.443 500 E N -0.710 119.473 120.200 -0.029 0.000 2.171 500 E HA -0.174 4.177 4.350 0.002 0.000 0.197 500 E C -0.015 176.577 176.600 -0.014 0.000 0.997 500 E CA 0.631 57.016 56.400 -0.025 0.000 0.810 500 E CB -0.122 29.559 29.700 -0.032 0.000 0.738 500 E HN 0.455 nan 8.360 nan 0.000 0.467 501 R N 0.538 121.033 120.500 -0.009 0.000 3.333 501 R HA -0.157 4.184 4.340 0.002 0.000 0.256 501 R C -0.523 175.776 176.300 -0.001 0.000 1.010 501 R CA 0.980 57.078 56.100 -0.003 0.000 0.680 501 R CB -2.759 27.539 30.300 -0.003 0.000 1.102 501 R HN 0.284 nan 8.270 nan 0.000 0.440 502 T N -4.160 110.394 114.554 0.000 0.000 2.916 502 T HA 0.566 4.917 4.350 0.002 0.000 0.292 502 T C 1.004 175.709 174.700 0.008 0.000 1.064 502 T CA -1.063 61.039 62.100 0.003 0.000 1.011 502 T CB 1.740 70.608 68.868 0.001 0.000 1.152 502 T HN -0.026 nan 8.240 nan 0.000 0.510 503 I N 0.784 121.360 120.570 0.010 0.000 2.394 503 I HA -0.005 4.166 4.170 0.002 0.000 0.251 503 I C 2.570 178.698 176.117 0.018 0.000 1.136 503 I CA 1.323 62.631 61.300 0.014 0.000 1.425 503 I CB -0.312 37.696 38.000 0.013 0.000 1.079 503 I HN 0.943 nan 8.210 nan 0.000 0.425 504 E N 0.342 120.552 120.200 0.016 0.000 2.072 504 E HA -0.200 4.151 4.350 0.002 0.000 0.190 504 E C 2.235 178.848 176.600 0.023 0.000 0.982 504 E CA 1.093 57.506 56.400 0.021 0.000 0.803 504 E CB -0.056 29.654 29.700 0.016 0.000 0.755 504 E HN 0.501 nan 8.360 nan 0.000 0.453 505 A N 0.513 123.342 122.820 0.014 0.000 1.968 505 A HA -0.156 4.165 4.320 0.002 0.000 0.217 505 A C 2.057 179.656 177.584 0.025 0.000 1.169 505 A CA 1.101 53.145 52.037 0.013 0.000 0.638 505 A CB -0.319 18.679 19.000 -0.004 0.000 0.812 505 A HN 0.173 nan 8.150 nan 0.000 0.446 506 Q N -0.105 119.709 119.800 0.024 0.000 2.124 506 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 506 Q C 2.371 178.395 176.000 0.041 0.000 0.977 506 Q CA 1.748 57.569 55.803 0.030 0.000 0.850 506 Q CB -0.548 28.204 28.738 0.024 0.000 0.901 506 Q HN 0.620 nan 8.270 nan 0.000 0.429 507 S N -0.416 115.309 115.700 0.042 0.000 2.382 507 S HA -0.147 4.324 4.470 0.002 0.000 0.228 507 S C 1.787 176.429 174.600 0.069 0.000 1.027 507 S CA 1.123 59.355 58.200 0.053 0.000 0.991 507 S CB -0.020 63.209 63.200 0.049 0.000 0.823 507 S HN 0.374 nan 8.310 nan 0.000 0.469 508 R N 0.247 120.786 120.500 0.065 0.000 2.092 508 R HA 0.094 4.435 4.340 0.002 0.000 0.231 508 R C 2.341 178.698 176.300 0.095 0.000 1.119 508 R CA 1.314 57.462 56.100 0.079 0.000 0.970 508 R CB -0.467 29.878 30.300 0.075 0.000 0.864 508 R HN 0.403 nan 8.270 nan 0.000 0.440 509 L N 0.697 121.969 121.223 0.082 0.000 2.131 509 L HA -0.160 4.181 4.340 0.002 0.000 0.210 509 L C 2.022 178.948 176.870 0.092 0.000 1.092 509 L CA 1.337 56.229 54.840 0.085 0.000 0.759 509 L CB -0.256 41.840 42.059 0.063 0.000 0.903 509 L HN 0.218 nan 8.230 nan 0.000 0.435 510 E N -0.124 120.129 120.200 0.088 0.000 2.204 510 E HA -0.179 4.172 4.350 0.002 0.000 0.194 510 E C 1.729 178.409 176.600 0.134 0.000 0.989 510 E CA 1.102 57.558 56.400 0.093 0.000 0.824 510 E CB 0.020 29.766 29.700 0.076 0.000 0.756 510 E HN 0.519 nan 8.360 nan 0.000 0.477 511 N N 0.003 118.802 118.700 0.164 0.000 2.251 511 N HA -0.007 4.734 4.740 0.002 0.000 0.181 511 N C 1.597 177.282 175.510 0.292 0.000 1.019 511 N CA 0.437 53.645 53.050 0.263 0.000 0.862 511 N CB 0.068 38.703 38.487 0.248 0.000 0.992 511 N HN 0.007 nan 8.380 nan 0.000 0.429 512 L N 0.776 122.111 121.223 0.186 0.000 2.189 512 L HA -0.206 4.136 4.340 0.002 0.000 0.214 512 L C 1.250 178.269 176.870 0.249 0.000 1.097 512 L CA 0.995 55.944 54.840 0.182 0.000 0.764 512 L CB -0.312 41.801 42.059 0.091 0.000 0.900 512 L HN 0.243 nan 8.230 nan 0.000 0.436 513 D N -0.533 119.980 120.400 0.189 0.000 2.137 513 D HA -0.133 4.508 4.640 0.002 0.000 0.202 513 D C 2.184 178.581 176.300 0.162 0.000 0.970 513 D CA 0.794 54.882 54.000 0.146 0.000 0.837 513 D CB 0.024 40.884 40.800 0.099 0.000 0.981 513 D HN 0.169 nan 8.370 nan 0.000 0.475 514 E N -0.167 120.152 120.200 0.197 0.000 2.268 514 E HA -0.119 4.232 4.350 0.002 0.000 0.195 514 E C 1.774 178.515 176.600 0.236 0.000 0.995 514 E CA 0.129 56.623 56.400 0.158 0.000 0.836 514 E CB -0.178 29.602 29.700 0.134 0.000 0.763 514 E HN 0.315 nan 8.360 nan 0.000 0.491 515 F N 0.516 120.634 119.950 0.280 0.000 2.187 515 F HA -0.012 4.516 4.527 0.002 0.000 0.295 515 F C 2.013 177.930 175.800 0.195 0.000 1.091 515 F CA 0.645 58.861 58.000 0.360 0.000 1.308 515 F CB -0.124 39.062 39.000 0.310 0.000 1.030 515 F HN -0.090 nan 8.300 nan 0.000 0.487 516 L N -0.397 120.906 121.223 0.133 0.000 2.450 516 L HA -0.188 4.153 4.340 0.002 0.000 0.224 516 L C 2.171 179.014 176.870 -0.045 0.000 1.149 516 L CA 0.910 55.748 54.840 -0.002 0.000 0.816 516 L CB -0.522 41.573 42.059 0.059 0.000 0.932 516 L HN 0.151 nan 8.230 nan 0.000 0.449 517 S N -1.160 114.532 115.700 -0.013 0.000 2.371 517 S HA -0.086 4.385 4.470 0.002 0.000 0.219 517 S C 1.967 176.576 174.600 0.014 0.000 1.040 517 S CA 0.715 58.914 58.200 -0.003 0.000 0.958 517 S CB -0.071 63.125 63.200 -0.007 0.000 0.860 517 S HN 0.145 nan 8.310 nan 0.000 0.487 518 V N 3.145 123.050 119.914 -0.014 0.000 2.439 518 V HA -0.249 3.873 4.120 0.002 0.000 0.253 518 V C 2.881 179.071 176.094 0.159 0.000 1.074 518 V CA 2.184 64.529 62.300 0.074 0.000 1.076 518 V CB -1.866 29.976 31.823 0.031 0.000 0.664 518 V HN 0.778 nan 8.190 nan 0.000 0.461 519 T N -1.726 112.793 114.554 -0.059 0.000 2.737 519 T HA -0.231 4.120 4.350 0.002 0.000 0.265 519 T C 1.848 176.571 174.700 0.038 0.000 1.038 519 T CA 1.519 63.523 62.100 -0.160 0.000 1.144 519 T CB -0.286 68.290 68.868 -0.487 0.000 0.866 519 T HN 0.406 nan 8.240 nan 0.000 0.434 520 K N 0.255 120.666 120.400 0.018 0.000 1.978 520 K HA -0.178 4.143 4.320 0.002 0.000 0.214 520 K C 2.437 179.093 176.600 0.094 0.000 1.049 520 K CA 1.812 58.125 56.287 0.042 0.000 0.939 520 K CB -0.530 31.990 32.500 0.033 0.000 0.721 520 K HN 0.561 nan 8.250 nan 0.000 0.441 521 H N -0.394 118.696 119.070 0.033 0.000 2.289 521 H HA -0.243 4.315 4.556 0.002 0.000 0.294 521 H C 2.130 177.497 175.328 0.066 0.000 1.095 521 H CA 2.152 58.221 56.048 0.035 0.000 1.256 521 H CB -0.197 29.587 29.762 0.037 0.000 1.359 521 H HN 0.214 nan 8.280 nan 0.000 0.487 522 F N 2.015 121.927 119.950 -0.063 0.000 2.048 522 F HA -0.277 4.251 4.527 0.002 0.000 0.296 522 F C 1.935 177.662 175.800 -0.121 0.000 1.109 522 F CA 2.256 60.211 58.000 -0.074 0.000 1.214 522 F CB -0.728 38.350 39.000 0.131 0.000 0.963 522 F HN 0.236 nan 8.300 nan 0.000 0.491 523 E N -0.098 119.976 120.200 -0.211 0.000 2.528 523 E HA -0.029 4.322 4.350 0.002 0.000 0.237 523 E C 0.602 177.078 176.600 -0.206 0.000 1.408 523 E CA 0.147 56.370 56.400 -0.295 0.000 1.571 523 E CB -0.738 28.904 29.700 -0.096 0.000 1.395 523 E HN 0.361 nan 8.360 nan 0.000 0.438 524 N N -0.547 118.001 118.700 -0.253 0.000 1.983 524 N HA -0.026 4.715 4.740 0.002 0.000 0.234 524 N C 0.210 175.599 175.510 -0.202 0.000 1.339 524 N CA 0.882 53.833 53.050 -0.164 0.000 0.826 524 N CB 1.615 40.063 38.487 -0.065 0.000 1.156 524 N HN 0.175 nan 8.380 nan 0.000 0.468 525 V N -2.222 117.495 119.914 -0.329 0.000 3.172 525 V HA 0.578 4.700 4.120 0.002 0.000 0.343 525 V C -0.070 175.856 176.094 -0.281 0.000 1.429 525 V CA -0.279 61.854 62.300 -0.278 0.000 1.149 525 V CB 0.429 32.062 31.823 -0.318 0.000 1.106 525 V HN -0.054 nan 8.190 nan 0.000 0.526 526 S N 0.919 116.402 115.700 -0.361 0.000 2.503 526 S HA 0.534 5.005 4.470 0.002 0.000 0.301 526 S C 0.314 174.750 174.600 -0.274 0.000 1.087 526 S CA -0.384 57.594 58.200 -0.370 0.000 1.042 526 S CB 1.984 64.740 63.200 -0.741 0.000 1.043 526 S HN 0.508 nan 8.310 nan 0.000 0.489 527 D N 1.095 121.387 120.400 -0.181 0.000 2.162 527 D HA 0.002 4.643 4.640 0.002 0.000 0.205 527 D C 0.119 176.349 176.300 -0.116 0.000 0.964 527 D CA 0.868 54.793 54.000 -0.125 0.000 0.847 527 D CB 0.081 40.831 40.800 -0.083 0.000 0.988 527 D HN 0.454 nan 8.370 nan 0.000 0.480 528 D N 0.540 120.879 120.400 -0.102 0.000 2.317 528 D HA 0.143 4.784 4.640 0.002 0.000 0.234 528 D C -0.186 176.076 176.300 -0.063 0.000 1.112 528 D CA -0.218 53.760 54.000 -0.036 0.000 0.840 528 D CB 0.785 41.603 40.800 0.030 0.000 1.078 528 D HN -0.193 nan 8.370 nan 0.000 0.486 529 K N 1.564 121.938 120.400 -0.042 0.000 2.593 529 K HA 0.186 4.507 4.320 0.002 0.000 0.208 529 K C 0.217 177.000 176.600 0.306 0.000 1.051 529 K CA -0.459 55.813 56.287 -0.024 0.000 1.111 529 K CB 0.494 32.909 32.500 -0.142 0.000 0.849 529 K HN 0.365 nan 8.250 nan 0.000 0.479 530 S N -0.197 115.675 115.700 0.286 0.000 2.632 530 S HA 0.185 4.657 4.470 0.002 0.000 0.267 530 S C 1.191 175.899 174.600 0.180 0.000 1.276 530 S CA -0.846 57.463 58.200 0.182 0.000 0.998 530 S CB 1.270 64.529 63.200 0.099 0.000 0.953 530 S HN 0.187 nan 8.310 nan 0.000 0.547 531 L N 0.286 121.555 121.223 0.076 0.000 1.989 531 L HA -0.132 4.209 4.340 0.002 0.000 0.211 531 L C 2.091 178.993 176.870 0.054 0.000 1.071 531 L CA 1.564 56.433 54.840 0.048 0.000 0.749 531 L CB -0.547 41.521 42.059 0.016 0.000 0.890 531 L HN 0.702 nan 8.230 nan 0.000 0.431 532 I N 0.386 120.966 120.570 0.018 0.000 2.151 532 I HA -0.305 3.866 4.170 0.002 0.000 0.243 532 I C 2.797 178.905 176.117 -0.014 0.000 1.080 532 I CA 1.664 62.947 61.300 -0.029 0.000 1.339 532 I CB -1.000 36.964 38.000 -0.059 0.000 1.039 532 I HN 0.249 nan 8.210 nan 0.000 0.409 533 A N -0.078 122.781 122.820 0.066 0.000 1.917 533 A HA -0.273 4.048 4.320 0.002 0.000 0.219 533 A C 2.346 179.931 177.584 0.002 0.000 1.182 533 A CA 1.968 54.084 52.037 0.131 0.000 0.633 533 A CB -1.159 18.047 19.000 0.342 0.000 0.819 533 A HN 0.445 nan 8.150 nan 0.000 0.448 534 F N 0.534 120.240 119.950 -0.405 0.000 2.060 534 F HA -0.096 4.432 4.527 0.002 0.000 0.295 534 F C 1.944 177.551 175.800 -0.323 0.000 1.120 534 F CA 1.764 59.274 58.000 -0.818 0.000 1.205 534 F CB -0.431 37.928 39.000 -1.067 0.000 0.986 534 F HN 0.122 nan 8.300 nan 0.000 0.470 535 L N -0.294 120.808 121.223 -0.203 0.000 2.189 535 L HA -0.269 4.073 4.340 0.002 0.000 0.214 535 L C 2.291 179.055 176.870 -0.178 0.000 1.097 535 L CA 1.609 56.347 54.840 -0.170 0.000 0.764 535 L CB -1.246 40.801 42.059 -0.020 0.000 0.900 535 L HN 0.279 nan 8.230 nan 0.000 0.436 536 T N -0.025 114.436 114.554 -0.155 0.000 2.588 536 T HA -0.167 4.184 4.350 0.002 0.000 0.261 536 T C 1.399 176.063 174.700 -0.060 0.000 1.069 536 T CA 1.763 63.815 62.100 -0.081 0.000 1.172 536 T CB -0.299 68.540 68.868 -0.048 0.000 0.863 536 T HN 0.572 nan 8.240 nan 0.000 0.408 537 D N 0.833 121.172 120.400 -0.101 0.000 2.351 537 D HA -0.021 4.620 4.640 0.002 0.000 0.216 537 D C 1.827 178.054 176.300 -0.122 0.000 0.968 537 D CA 0.378 54.337 54.000 -0.069 0.000 0.899 537 D CB -0.560 40.223 40.800 -0.028 0.000 0.907 537 D HN 0.243 nan 8.370 nan 0.000 0.514 538 L N 1.149 122.218 121.223 -0.257 0.000 1.890 538 L HA 0.151 4.492 4.340 0.002 0.000 0.219 538 L C 1.773 178.686 176.870 0.072 0.000 1.104 538 L CA 1.518 56.245 54.840 -0.189 0.000 0.792 538 L CB -1.053 40.804 42.059 -0.337 0.000 0.887 538 L HN 0.064 nan 8.230 nan 0.000 0.432 539 A N -0.840 122.079 122.820 0.165 0.000 2.510 539 A HA 0.068 4.390 4.320 0.002 0.000 0.232 539 A C 1.195 179.052 177.584 0.454 0.000 1.715 539 A CA 0.868 53.140 52.037 0.392 0.000 1.612 539 A CB -1.050 18.056 19.000 0.177 0.000 0.795 539 A HN 0.552 nan 8.150 nan 0.000 0.637 540 L N -2.010 119.409 121.223 0.327 0.000 3.174 540 L HA 0.318 4.659 4.340 0.002 0.000 0.313 540 L C -0.197 176.697 176.870 0.040 0.000 1.021 540 L CA 0.127 55.092 54.840 0.208 0.000 1.269 540 L CB 0.444 42.589 42.059 0.143 0.000 2.173 540 L HN 0.340 nan 8.230 nan 0.000 0.591 541 I N 0.629 121.210 120.570 0.019 0.000 2.460 541 I HA 0.106 4.277 4.170 0.002 0.000 0.277 541 I C 1.172 177.213 176.117 -0.127 0.000 1.057 541 I CA -0.078 61.193 61.300 -0.048 0.000 1.179 541 I CB 1.651 39.632 38.000 -0.031 0.000 1.329 541 I HN 0.054 nan 8.210 nan 0.000 0.478 542 S N 1.743 117.290 115.700 -0.255 0.000 2.481 542 S HA -0.047 4.424 4.470 0.002 0.000 0.231 542 S C 0.729 175.158 174.600 -0.285 0.000 0.996 542 S CA 0.147 57.995 58.200 -0.586 0.000 0.942 542 S CB -0.067 62.706 63.200 -0.711 0.000 0.768 542 S HN 0.610 nan 8.310 nan 0.000 0.520 543 D N 1.605 121.915 120.400 -0.150 0.000 2.295 543 D HA 0.128 4.769 4.640 0.002 0.000 0.248 543 D C 0.015 176.245 176.300 -0.117 0.000 1.154 543 D CA -0.353 53.590 54.000 -0.094 0.000 0.857 543 D CB 1.106 41.870 40.800 -0.061 0.000 1.117 543 D HN 0.169 nan 8.370 nan 0.000 0.468 544 L N 4.002 125.125 121.223 -0.166 0.000 2.747 544 L HA 0.107 4.448 4.340 0.002 0.000 0.248 544 L C 0.121 176.844 176.870 -0.245 0.000 1.191 544 L CA 0.812 55.443 54.840 -0.349 0.000 1.003 544 L CB -0.309 41.340 42.059 -0.683 0.000 1.235 544 L HN 0.289 nan 8.230 nan 0.000 0.426 545 D N -1.798 118.515 120.400 -0.146 0.000 2.448 545 D HA 0.048 4.689 4.640 0.002 0.000 0.256 545 D C 1.432 177.681 176.300 -0.085 0.000 1.108 545 D CA 0.152 54.084 54.000 -0.113 0.000 0.848 545 D CB 0.440 41.194 40.800 -0.077 0.000 1.281 545 D HN 0.231 nan 8.370 nan 0.000 0.509 546 E N 0.409 120.569 120.200 -0.067 0.000 2.385 546 E HA 0.144 4.496 4.350 0.002 0.000 0.194 546 E C 1.917 178.514 176.600 -0.005 0.000 1.013 546 E CA 0.083 56.466 56.400 -0.029 0.000 0.866 546 E CB 0.570 30.256 29.700 -0.024 0.000 0.832 546 E HN 0.311 nan 8.360 nan 0.000 0.500 547 L N 1.078 122.276 121.223 -0.041 0.000 2.492 547 L HA -0.032 4.309 4.340 0.002 0.000 0.223 547 L C 0.247 177.139 176.870 0.037 0.000 1.132 547 L CA 0.426 55.267 54.840 0.002 0.000 0.850 547 L CB -0.137 41.873 42.059 -0.081 0.000 0.966 547 L HN 0.066 nan 8.230 nan 0.000 0.454 548 D N 0.000 120.341 120.400 -0.098 0.000 6.856 548 D HA 0.000 4.641 4.640 0.002 0.000 0.175 548 D CA 0.000 53.806 54.000 -0.323 0.000 0.868 548 D CB 0.000 40.634 40.800 -0.277 0.000 0.688 548 D HN 0.000 nan 8.370 nan 0.000 0.683