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 2vvl_1_G DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVT SLGVISPPTN IXXXXXXXPW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGTDANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.064 0.000 0.988 1 M CB 0.000 32.546 32.600 -0.090 0.000 1.302 2 T N 1.569 116.087 114.554 -0.060 0.000 2.856 2 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 2 T C -0.193 174.462 174.700 -0.076 0.000 1.008 2 T CA -0.347 61.725 62.100 -0.047 0.000 0.997 2 T CB 2.062 70.909 68.868 -0.034 0.000 0.992 2 T HN 0.607 nan 8.240 nan 0.000 0.454 3 S N 0.706 116.360 115.700 -0.077 0.000 2.652 3 S HA 0.285 4.754 4.470 -0.000 0.000 0.270 3 S C 1.267 175.793 174.600 -0.123 0.000 1.243 3 S CA -0.608 57.502 58.200 -0.150 0.000 0.999 3 S CB 0.644 63.685 63.200 -0.266 0.000 0.973 3 S HN 0.663 nan 8.310 nan 0.000 0.544 4 R N 0.629 121.043 120.500 -0.144 0.000 2.240 4 R HA 0.117 4.457 4.340 -0.000 0.000 0.203 4 R C -0.236 175.994 176.300 -0.117 0.000 1.011 4 R CA 0.391 56.425 56.100 -0.110 0.000 1.007 4 R CB -0.084 30.171 30.300 -0.076 0.000 0.911 4 R HN 0.575 nan 8.270 nan 0.000 0.468 5 D N 0.228 120.529 120.400 -0.165 0.000 2.344 5 D HA 0.332 4.972 4.640 -0.000 0.000 0.244 5 D C 0.758 177.163 176.300 0.175 0.000 1.134 5 D CA 0.964 54.915 54.000 -0.081 0.000 0.930 5 D CB 0.935 41.391 40.800 -0.574 0.000 1.175 5 D HN 0.255 nan 8.370 nan 0.000 0.437 6 G N -0.244 108.835 108.800 0.465 0.000 2.781 6 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.683 6 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.683 6 G C -1.537 173.283 174.900 -0.134 0.000 1.390 6 G CA -0.764 44.547 45.100 0.352 0.000 0.850 6 G HN 0.370 nan 8.290 nan 0.000 0.557 7 Y N -0.452 119.728 120.300 -0.200 0.000 2.562 7 Y HA 0.720 5.270 4.550 -0.000 0.000 0.345 7 Y C 0.291 175.905 175.900 -0.476 0.000 1.045 7 Y CA -0.646 57.215 58.100 -0.398 0.000 1.028 7 Y CB 2.460 40.473 38.460 -0.744 0.000 1.297 7 Y HN 0.858 nan 8.280 nan 0.000 0.463 8 Q N 1.294 121.017 119.800 -0.128 0.000 2.423 8 Q HA 0.523 4.863 4.340 -0.000 0.000 0.278 8 Q C -2.186 173.848 176.000 0.057 0.000 1.097 8 Q CA -0.884 54.854 55.803 -0.108 0.000 0.809 8 Q CB 2.722 31.400 28.738 -0.100 0.000 1.391 8 Q HN 0.750 nan 8.270 nan 0.000 0.428 9 W N 2.693 123.942 121.300 -0.085 0.000 3.259 9 W HA 0.519 5.179 4.660 -0.000 0.000 0.331 9 W C -1.517 174.997 176.519 -0.009 0.000 1.144 9 W CA -0.247 57.089 57.345 -0.014 0.000 1.227 9 W CB 1.732 31.218 29.460 0.043 0.000 1.371 9 W HN 0.687 nan 8.180 nan 0.000 0.491 10 T N 2.346 116.345 114.554 -0.925 0.000 2.916 10 T HA 0.503 4.853 4.350 -0.000 0.000 0.292 10 T C -2.481 171.200 174.700 -1.698 0.000 1.064 10 T CA -1.942 59.527 62.100 -1.051 0.000 1.011 10 T CB 2.306 70.898 68.868 -0.460 0.000 1.152 10 T HN 0.151 nan 8.240 nan 0.000 0.510 11 P HA -0.075 nan 4.420 nan 0.000 0.220 11 P C 1.263 178.340 177.300 -0.373 0.000 1.148 11 P CA 0.886 63.587 63.100 -0.666 0.000 0.803 11 P CB 0.157 31.726 31.700 -0.218 0.000 0.782 12 E N -0.934 119.059 120.200 -0.345 0.000 2.476 12 E HA 0.018 4.368 4.350 -0.000 0.000 0.199 12 E C 0.910 177.393 176.600 -0.195 0.000 1.021 12 E CA 0.978 57.256 56.400 -0.202 0.000 0.907 12 E CB -0.779 28.838 29.700 -0.140 0.000 0.974 12 E HN 0.264 nan 8.360 nan 0.000 0.489 13 T N -3.293 111.091 114.554 -0.283 0.000 2.975 13 T HA 0.417 4.767 4.350 -0.000 0.000 0.257 13 T C 1.100 175.696 174.700 -0.174 0.000 1.003 13 T CA 0.435 62.417 62.100 -0.196 0.000 0.932 13 T CB 0.411 69.173 68.868 -0.176 0.000 1.087 13 T HN 0.356 nan 8.240 nan 0.000 0.512 14 G N 1.833 110.460 108.800 -0.290 0.000 2.641 14 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.254 14 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.254 14 G C -0.590 174.355 174.900 0.075 0.000 1.315 14 G CA -0.261 44.802 45.100 -0.062 0.000 0.907 14 G HN 0.815 nan 8.290 nan 0.000 0.572 15 L N 1.659 123.078 121.223 0.327 0.000 2.315 15 L HA 0.624 4.964 4.340 -0.000 0.000 0.283 15 L C 1.124 178.107 176.870 0.189 0.000 1.089 15 L CA 0.616 55.650 54.840 0.323 0.000 0.833 15 L CB 0.627 42.891 42.059 0.341 0.000 1.170 15 L HN 1.053 nan 8.230 nan 0.000 0.442 16 T N 2.175 116.809 114.554 0.133 0.000 2.797 16 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 16 T C -0.330 174.387 174.700 0.027 0.000 0.991 16 T CA -0.740 61.397 62.100 0.060 0.000 0.979 16 T CB 1.461 70.329 68.868 -0.000 0.000 0.943 16 T HN 0.669 nan 8.240 nan 0.000 0.444 17 Q N 1.306 121.078 119.800 -0.047 0.000 2.260 17 Q HA 0.529 4.869 4.340 -0.000 0.000 0.242 17 Q C 0.385 176.264 176.000 -0.202 0.000 0.932 17 Q CA 0.122 55.751 55.803 -0.289 0.000 0.891 17 Q CB 0.692 29.253 28.738 -0.295 0.000 1.222 17 Q HN 1.360 nan 8.270 nan 0.000 0.453 18 G N 0.349 109.007 108.800 -0.237 0.000 3.153 18 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 18 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 18 G C -1.369 173.497 174.900 -0.056 0.000 0.995 18 G CA -0.351 44.680 45.100 -0.115 0.000 0.783 18 G HN 0.593 nan 8.290 nan 0.000 0.551 19 V N 3.373 123.295 119.914 0.013 0.000 2.888 19 V HA 0.758 4.878 4.120 -0.000 0.000 0.309 19 V C 0.998 177.149 176.094 0.095 0.000 1.114 19 V CA 0.025 62.355 62.300 0.050 0.000 0.940 19 V CB 2.298 34.158 31.823 0.061 0.000 1.021 19 V HN 1.434 nan 8.190 nan 0.000 0.426 20 T N 3.317 117.905 114.554 0.058 0.000 2.923 20 T HA 0.268 4.618 4.350 -0.000 0.000 0.320 20 T C 0.016 174.788 174.700 0.121 0.000 1.074 20 T CA 0.718 62.852 62.100 0.057 0.000 1.131 20 T CB 0.463 69.354 68.868 0.038 0.000 1.058 20 T HN 0.939 nan 8.240 nan 0.000 0.535 21 S N 0.983 116.726 115.700 0.072 0.000 2.583 21 S HA 0.234 4.704 4.470 -0.000 0.000 0.294 21 S C 0.509 175.102 174.600 -0.011 0.000 1.121 21 S CA -0.850 57.408 58.200 0.097 0.000 0.910 21 S CB 0.560 63.905 63.200 0.242 0.000 1.102 21 S HN 0.632 nan 8.310 nan 0.000 0.451 22 L N 3.801 125.013 121.223 -0.017 0.000 2.362 22 L HA 0.108 4.448 4.340 -0.000 0.000 0.219 22 L C 2.520 179.307 176.870 -0.138 0.000 1.134 22 L CA 1.401 56.197 54.840 -0.073 0.000 0.807 22 L CB -0.385 41.641 42.059 -0.056 0.000 0.927 22 L HN 0.880 nan 8.230 nan 0.000 0.447 23 G N -0.413 108.314 108.800 -0.123 0.000 2.509 23 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.218 23 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.218 23 G C 0.750 175.408 174.900 -0.403 0.000 1.124 23 G CA -0.108 44.848 45.100 -0.240 0.000 0.776 23 G HN 0.133 nan 8.290 nan 0.000 0.547 24 V N 1.651 121.360 119.914 -0.343 0.000 2.485 24 V HA 0.164 4.284 4.120 -0.000 0.000 0.287 24 V C 0.003 175.789 176.094 -0.513 0.000 1.022 24 V CA -0.226 61.822 62.300 -0.420 0.000 1.067 24 V CB 0.958 32.614 31.823 -0.277 0.000 0.967 24 V HN 0.079 nan 8.190 nan 0.000 0.479 25 I N 5.753 125.855 120.570 -0.781 0.000 2.304 25 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 25 I C 0.343 176.197 176.117 -0.439 0.000 1.018 25 I CA 0.730 61.571 61.300 -0.765 0.000 1.260 25 I CB 1.570 38.766 38.000 -1.340 0.000 1.390 25 I HN 0.765 nan 8.210 nan 0.000 0.475 26 S N 6.917 122.489 115.700 -0.214 0.000 2.547 26 S HA 0.785 5.255 4.470 -0.000 0.000 0.281 26 S C -2.522 172.087 174.600 0.015 0.000 1.118 26 S CA -1.234 56.921 58.200 -0.075 0.000 0.947 26 S CB 1.460 64.612 63.200 -0.081 0.000 1.053 26 S HN 0.392 nan 8.310 nan 0.000 0.482 27 P HA 0.311 nan 4.420 nan 0.000 0.269 27 P C -2.238 175.161 177.300 0.165 0.000 1.215 27 P CA -1.177 61.977 63.100 0.090 0.000 0.780 27 P CB -0.277 31.480 31.700 0.095 0.000 0.898 28 P HA 0.018 nan 4.420 nan 0.000 0.233 28 P C 0.472 178.023 177.300 0.418 0.000 1.167 28 P CA 1.059 64.298 63.100 0.231 0.000 0.770 28 P CB 0.387 32.173 31.700 0.143 0.000 0.837 29 T N -2.338 112.368 114.554 0.253 0.000 2.841 29 T HA 0.433 4.783 4.350 -0.000 0.000 0.296 29 T C 0.130 174.764 174.700 -0.109 0.000 1.166 29 T CA -0.434 61.718 62.100 0.085 0.000 1.007 29 T CB 1.401 70.304 68.868 0.058 0.000 1.253 29 T HN -0.293 nan 8.240 nan 0.000 0.511 30 N N -0.182 118.288 118.700 -0.383 0.000 2.486 30 N HA 0.318 5.058 4.740 -0.000 0.000 0.242 30 N C 0.470 175.871 175.510 -0.182 0.000 1.083 30 N CA 0.495 53.243 53.050 -0.503 0.000 0.844 30 N CB 0.149 37.895 38.487 -1.235 0.000 1.527 30 N HN 0.741 nan 8.380 nan 0.000 0.462 40 W N 0.325 121.658 121.300 0.056 0.000 2.830 40 W HA 0.334 4.994 4.660 -0.000 0.000 0.335 40 W C 0.634 177.195 176.519 0.068 0.000 1.043 40 W CA -0.649 56.733 57.345 0.060 0.000 1.239 40 W CB 1.757 31.252 29.460 0.059 0.000 1.378 40 W HN -0.199 nan 8.180 nan 0.000 0.456 41 D N 1.193 121.812 120.400 0.365 0.000 2.120 41 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 41 D C 0.219 176.628 176.300 0.182 0.000 0.972 41 D CA 1.420 55.586 54.000 0.277 0.000 0.837 41 D CB 0.561 41.603 40.800 0.403 0.000 0.989 41 D HN 0.006 nan 8.370 nan 0.000 0.469 42 V N 1.208 121.220 119.914 0.165 0.000 2.709 42 V HA 0.391 4.511 4.120 -0.000 0.000 0.308 42 V C -0.177 175.900 176.094 -0.029 0.000 1.062 42 V CA -0.785 61.532 62.300 0.027 0.000 0.901 42 V CB 2.647 34.435 31.823 -0.058 0.000 1.003 42 V HN -0.111 nan 8.190 nan 0.000 0.425 43 I N 3.381 123.903 120.570 -0.080 0.000 2.359 43 I HA 0.499 4.669 4.170 -0.000 0.000 0.294 43 I C -0.580 175.450 176.117 -0.145 0.000 0.987 43 I CA -0.684 60.508 61.300 -0.180 0.000 1.225 43 I CB 1.950 39.845 38.000 -0.176 0.000 1.366 43 I HN 0.328 nan 8.210 nan 0.000 0.466 44 V N 7.669 127.479 119.914 -0.174 0.000 2.384 44 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 44 V C 0.018 176.019 176.094 -0.155 0.000 1.020 44 V CA -0.499 61.725 62.300 -0.127 0.000 0.850 44 V CB 1.644 33.411 31.823 -0.093 0.000 0.987 44 V HN 0.452 nan 8.190 nan 0.000 0.436 45 I N 4.702 125.207 120.570 -0.108 0.000 2.312 45 I HA 0.711 4.881 4.170 -0.000 0.000 0.290 45 I C 0.686 176.755 176.117 -0.081 0.000 1.008 45 I CA 0.017 61.252 61.300 -0.109 0.000 1.226 45 I CB 1.239 39.211 38.000 -0.046 0.000 1.371 45 I HN 0.865 nan 8.210 nan 0.000 0.468 46 G N 3.674 112.394 108.800 -0.134 0.000 3.233 46 G HA2 0.012 3.972 3.960 -0.000 0.000 0.686 46 G HA3 0.012 3.972 3.960 -0.000 0.000 0.686 46 G C -0.042 174.790 174.900 -0.113 0.000 1.153 46 G CA -0.501 44.532 45.100 -0.112 0.000 0.853 46 G HN 0.976 nan 8.290 nan 0.000 0.582 47 G N 0.772 109.494 108.800 -0.129 0.000 4.125 47 G HA2 0.686 4.646 3.960 -0.000 0.000 0.301 47 G HA3 0.686 4.646 3.960 -0.000 0.000 0.301 47 G C 0.825 175.644 174.900 -0.136 0.000 1.273 47 G CA 0.914 45.956 45.100 -0.096 0.000 1.095 47 G HN 1.289 nan 8.290 nan 0.000 0.582 48 G N -0.748 107.971 108.800 -0.134 0.000 2.543 48 G HA2 0.354 4.314 3.960 -0.000 0.000 0.290 48 G HA3 0.354 4.314 3.960 -0.000 0.000 0.290 48 G C 0.599 175.358 174.900 -0.234 0.000 1.310 48 G CA -0.566 44.416 45.100 -0.196 0.000 1.025 48 G HN 0.126 nan 8.290 nan 0.000 0.502 49 Y N -1.035 119.178 120.300 -0.146 0.000 2.207 49 Y HA -0.147 4.403 4.550 -0.000 0.000 0.287 49 Y C 2.957 178.719 175.900 -0.230 0.000 1.156 49 Y CA 1.165 59.092 58.100 -0.288 0.000 1.182 49 Y CB -0.718 37.615 38.460 -0.212 0.000 0.979 49 Y HN 0.426 nan 8.280 nan 0.000 0.521 50 C N -0.074 119.230 119.300 0.007 0.000 2.432 50 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 50 C C 3.029 178.004 174.990 -0.026 0.000 1.249 50 C CA 1.582 60.588 59.018 -0.021 0.000 1.725 50 C CB -1.417 26.292 27.740 -0.052 0.000 2.028 50 C HN 0.675 nan 8.230 nan 0.000 0.477 51 G N 0.259 109.035 108.800 -0.041 0.000 2.404 51 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 51 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 51 G C 1.620 176.514 174.900 -0.011 0.000 1.174 51 G CA 0.973 46.054 45.100 -0.032 0.000 0.780 51 G HN 0.577 nan 8.290 nan 0.000 0.537 52 L N 0.515 121.712 121.223 -0.043 0.000 2.042 52 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 52 L C 3.214 180.140 176.870 0.093 0.000 1.076 52 L CA 1.659 56.499 54.840 0.001 0.000 0.749 52 L CB -0.835 41.124 42.059 -0.166 0.000 0.893 52 L HN 0.177 nan 8.230 nan 0.000 0.432 53 T N -0.165 114.408 114.554 0.032 0.000 2.674 53 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 53 T C 2.039 176.831 174.700 0.152 0.000 1.039 53 T CA 1.370 63.591 62.100 0.203 0.000 1.150 53 T CB -0.343 68.619 68.868 0.157 0.000 0.864 53 T HN 0.447 nan 8.240 nan 0.000 0.427 54 A N 1.396 124.263 122.820 0.077 0.000 1.883 54 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 54 A C 2.565 180.179 177.584 0.051 0.000 1.186 54 A CA 2.319 54.385 52.037 0.049 0.000 0.624 54 A CB -1.359 17.649 19.000 0.014 0.000 0.822 54 A HN 0.500 nan 8.150 nan 0.000 0.444 55 T N -0.698 113.887 114.554 0.051 0.000 2.701 55 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 55 T C 2.139 176.878 174.700 0.064 0.000 1.040 55 T CA 1.222 63.345 62.100 0.038 0.000 1.147 55 T CB -0.300 68.580 68.868 0.019 0.000 0.865 55 T HN 0.409 nan 8.240 nan 0.000 0.426 56 R N 1.326 121.895 120.500 0.114 0.000 2.113 56 R HA -0.173 4.167 4.340 -0.000 0.000 0.244 56 R C 1.766 178.130 176.300 0.107 0.000 1.142 56 R CA 2.027 58.205 56.100 0.130 0.000 0.953 56 R CB -0.850 29.600 30.300 0.250 0.000 0.860 56 R HN 0.347 nan 8.270 nan 0.000 0.438 57 D N 0.239 120.708 120.400 0.115 0.000 2.097 57 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 57 D C 2.092 178.463 176.300 0.118 0.000 0.984 57 D CA 1.063 55.124 54.000 0.102 0.000 0.826 57 D CB -0.244 40.613 40.800 0.095 0.000 0.973 57 D HN 0.215 nan 8.370 nan 0.000 0.460 58 L N 0.558 121.848 121.223 0.111 0.000 2.093 58 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 58 L C 2.604 179.622 176.870 0.247 0.000 1.085 58 L CA 1.514 56.459 54.840 0.175 0.000 0.755 58 L CB -0.730 41.359 42.059 0.050 0.000 0.904 58 L HN 0.185 nan 8.230 nan 0.000 0.435 59 T N -3.291 111.349 114.554 0.144 0.000 2.701 59 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 59 T C 1.847 176.599 174.700 0.086 0.000 1.040 59 T CA 1.155 63.323 62.100 0.113 0.000 1.147 59 T CB -0.880 68.018 68.868 0.050 0.000 0.865 59 T HN 0.051 nan 8.240 nan 0.000 0.426 60 V N 2.528 122.485 119.914 0.072 0.000 2.370 60 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 60 V C 3.062 179.189 176.094 0.055 0.000 1.068 60 V CA 1.828 64.159 62.300 0.051 0.000 1.061 60 V CB -1.338 30.511 31.823 0.045 0.000 0.656 60 V HN 0.751 nan 8.190 nan 0.000 0.455 61 A N -1.094 121.789 122.820 0.105 0.000 2.259 61 A HA 0.422 4.742 4.320 -0.000 0.000 0.208 61 A C 1.881 179.454 177.584 -0.018 0.000 1.201 61 A CA 1.036 53.131 52.037 0.097 0.000 0.824 61 A CB -0.434 18.695 19.000 0.214 0.000 0.838 61 A HN 1.217 nan 8.150 nan 0.000 0.485 62 G N -2.037 106.750 108.800 -0.022 0.000 2.176 62 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.232 62 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.232 62 G C -0.038 174.744 174.900 -0.196 0.000 0.986 62 G CA -0.064 44.951 45.100 -0.142 0.000 0.643 62 G HN 0.314 nan 8.290 nan 0.000 0.522 63 F N 1.875 121.847 119.950 0.037 0.000 2.412 63 F HA 0.490 5.016 4.527 -0.000 0.000 0.348 63 F C 1.124 176.973 175.800 0.082 0.000 1.102 63 F CA -0.427 57.606 58.000 0.055 0.000 1.196 63 F CB 0.884 39.917 39.000 0.056 0.000 1.144 63 F HN -0.242 nan 8.300 nan 0.000 0.541 64 K N 2.781 123.357 120.400 0.294 0.000 2.349 64 K HA 0.251 4.571 4.320 -0.000 0.000 0.289 64 K C -0.510 176.357 176.600 0.445 0.000 1.064 64 K CA -0.025 56.447 56.287 0.309 0.000 0.947 64 K CB 0.655 33.279 32.500 0.206 0.000 1.007 64 K HN 0.581 nan 8.250 nan 0.000 0.478 65 T N 3.455 118.221 114.554 0.354 0.000 2.812 65 T HA 0.305 4.655 4.350 -0.000 0.000 0.282 65 T C -0.708 173.919 174.700 -0.121 0.000 0.990 65 T CA -0.690 61.493 62.100 0.139 0.000 0.960 65 T CB 1.125 70.038 68.868 0.075 0.000 0.948 65 T HN 0.283 nan 8.240 nan 0.000 0.438 66 L N 4.391 125.327 121.223 -0.479 0.000 2.296 66 L HA 0.709 5.049 4.340 -0.000 0.000 0.286 66 L C -1.083 175.499 176.870 -0.479 0.000 1.023 66 L CA -0.865 53.468 54.840 -0.845 0.000 0.812 66 L CB 1.052 42.111 42.059 -1.666 0.000 1.223 66 L HN 0.616 nan 8.230 nan 0.000 0.421 67 L N 6.191 127.211 121.223 -0.339 0.000 2.265 67 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 67 L C -1.344 175.297 176.870 -0.381 0.000 1.033 67 L CA -0.067 54.616 54.840 -0.262 0.000 0.814 67 L CB 0.842 42.849 42.059 -0.087 0.000 1.203 67 L HN 0.596 nan 8.230 nan 0.000 0.423 68 L N 4.756 125.729 121.223 -0.418 0.000 2.287 68 L HA 0.596 4.936 4.340 -0.000 0.000 0.287 68 L C -0.612 176.002 176.870 -0.427 0.000 1.022 68 L CA -0.547 54.012 54.840 -0.468 0.000 0.814 68 L CB 1.636 43.413 42.059 -0.470 0.000 1.217 68 L HN 0.546 nan 8.230 nan 0.000 0.420 69 E N 2.092 121.970 120.200 -0.537 0.000 2.224 69 E HA 0.512 4.862 4.350 -0.000 0.000 0.265 69 E C 0.235 176.616 176.600 -0.365 0.000 0.878 69 E CA -0.329 55.789 56.400 -0.469 0.000 0.759 69 E CB 2.091 31.418 29.700 -0.622 0.000 1.164 69 E HN 0.553 nan 8.360 nan 0.000 0.414 70 A N 5.179 127.745 122.820 -0.423 0.000 1.940 70 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 70 A C 1.057 178.358 177.584 -0.472 0.000 1.176 70 A CA 1.170 52.836 52.037 -0.618 0.000 0.631 70 A CB -0.284 17.880 19.000 -1.393 0.000 0.814 70 A HN 0.619 nan 8.150 nan 0.000 0.446 71 R N -0.427 119.872 120.500 -0.334 0.000 2.574 71 R HA 0.284 4.624 4.340 -0.000 0.000 0.266 71 R C 0.309 176.593 176.300 -0.027 0.000 1.157 71 R CA 0.166 56.167 56.100 -0.165 0.000 1.187 71 R CB 0.044 30.240 30.300 -0.174 0.000 1.179 71 R HN 0.455 nan 8.270 nan 0.000 0.600 72 D N -0.378 119.963 120.400 -0.098 0.000 2.339 72 D HA -0.009 4.631 4.640 -0.000 0.000 0.217 72 D C -0.025 176.056 176.300 -0.365 0.000 1.050 72 D CA 0.021 53.934 54.000 -0.145 0.000 0.856 72 D CB 0.064 40.766 40.800 -0.163 0.000 0.922 72 D HN 0.419 nan 8.370 nan 0.000 0.518 73 R N -0.155 120.153 120.500 -0.320 0.000 2.799 73 R HA 0.622 4.962 4.340 -0.000 0.000 0.270 73 R C -0.295 175.821 176.300 -0.307 0.000 1.010 73 R CA -1.149 54.668 56.100 -0.471 0.000 0.916 73 R CB 1.145 31.156 30.300 -0.482 0.000 1.228 73 R HN 0.049 nan 8.270 nan 0.000 0.469 74 I N -1.804 118.529 120.570 -0.396 0.000 2.783 74 I HA 0.812 4.982 4.170 -0.000 0.000 0.312 74 I C 0.498 176.447 176.117 -0.279 0.000 0.988 74 I CA -0.032 61.097 61.300 -0.285 0.000 1.182 74 I CB 1.722 39.493 38.000 -0.382 0.000 1.368 74 I HN 0.961 nan 8.210 nan 0.000 0.511 75 G N 1.484 110.103 108.800 -0.302 0.000 2.541 75 G HA2 0.031 3.991 3.960 -0.000 0.000 0.201 75 G HA3 0.031 3.991 3.960 -0.000 0.000 0.201 75 G C 0.904 175.702 174.900 -0.171 0.000 1.026 75 G CA 0.080 44.995 45.100 -0.309 0.000 0.687 75 G HN 1.951 nan 8.290 nan 0.000 0.492 76 G N 0.679 109.428 108.800 -0.086 0.000 2.629 76 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.313 76 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.313 76 G C 0.892 175.939 174.900 0.245 0.000 1.217 76 G CA 1.443 46.575 45.100 0.053 0.000 0.994 76 G HN 1.159 nan 8.290 nan 0.000 0.549 77 R N 0.897 121.474 120.500 0.129 0.000 2.339 77 R HA 0.334 4.674 4.340 -0.000 0.000 0.199 77 R C 0.901 177.207 176.300 0.012 0.000 1.018 77 R CA 0.889 56.888 56.100 -0.169 0.000 1.036 77 R CB -0.108 30.037 30.300 -0.259 0.000 0.899 77 R HN 0.380 nan 8.270 nan 0.000 0.473 78 S N 0.628 116.499 115.700 0.286 0.000 2.594 78 S HA 0.568 5.038 4.470 -0.000 0.000 0.296 78 S C -1.691 173.203 174.600 0.490 0.000 1.124 78 S CA -0.855 57.568 58.200 0.371 0.000 1.011 78 S CB 0.818 64.269 63.200 0.418 0.000 1.016 78 S HN 0.376 nan 8.310 nan 0.000 0.485 79 W N 1.653 123.065 121.300 0.187 0.000 3.064 79 W HA 0.609 5.269 4.660 -0.000 0.000 0.328 79 W C -1.908 174.677 176.519 0.109 0.000 1.210 79 W CA -0.673 56.733 57.345 0.102 0.000 1.178 79 W CB 0.581 30.065 29.460 0.039 0.000 1.416 79 W HN 0.547 nan 8.180 nan 0.000 0.568 80 S N 1.015 116.807 115.700 0.153 0.000 2.513 80 S HA 0.660 5.130 4.470 -0.000 0.000 0.299 80 S C -1.225 173.372 174.600 -0.005 0.000 1.087 80 S CA -0.342 57.837 58.200 -0.035 0.000 1.012 80 S CB 1.719 64.924 63.200 0.008 0.000 1.044 80 S HN 0.586 nan 8.310 nan 0.000 0.485 81 S N 3.613 119.253 115.700 -0.099 0.000 2.707 81 S HA 0.433 4.903 4.470 -0.000 0.000 0.312 81 S C -1.274 173.345 174.600 0.031 0.000 1.116 81 S CA -0.844 57.353 58.200 -0.005 0.000 1.078 81 S CB 0.042 63.209 63.200 -0.056 0.000 0.997 81 S HN 0.713 nan 8.310 nan 0.000 0.477 82 N N 4.614 123.327 118.700 0.023 0.000 2.401 82 N HA 0.358 5.098 4.740 -0.000 0.000 0.255 82 N C -0.821 174.736 175.510 0.080 0.000 1.110 82 N CA 0.163 53.225 53.050 0.021 0.000 0.949 82 N CB 0.417 38.896 38.487 -0.013 0.000 1.110 82 N HN 0.616 nan 8.380 nan 0.000 0.490 83 I N 1.416 122.087 120.570 0.168 0.000 2.439 83 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 83 I C -0.359 175.864 176.117 0.178 0.000 1.021 83 I CA -0.641 60.760 61.300 0.169 0.000 1.091 83 I CB 1.390 39.499 38.000 0.181 0.000 1.242 83 I HN 0.272 nan 8.210 nan 0.000 0.439 84 D N 5.305 125.761 120.400 0.094 0.000 2.708 84 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 84 D C 1.089 177.436 176.300 0.079 0.000 1.146 84 D CA 1.861 55.905 54.000 0.073 0.000 0.662 84 D CB -0.978 39.863 40.800 0.069 0.000 1.059 84 D HN 1.137 nan 8.370 nan 0.000 0.428 85 G N -1.061 107.777 108.800 0.064 0.000 2.159 85 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.256 85 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.256 85 G C -0.095 174.841 174.900 0.061 0.000 0.977 85 G CA 0.352 45.480 45.100 0.048 0.000 0.652 85 G HN 0.561 nan 8.290 nan 0.000 0.531 86 Y N 1.343 121.568 120.300 -0.125 0.000 2.376 86 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 86 Y C -2.436 173.229 175.900 -0.391 0.000 0.965 86 Y CA -2.668 55.251 58.100 -0.301 0.000 1.078 86 Y CB 2.439 40.618 38.460 -0.468 0.000 1.193 86 Y HN 0.013 nan 8.280 nan 0.000 0.452 87 P HA 0.152 nan 4.420 nan 0.000 0.287 87 P C -1.623 175.215 177.300 -0.770 0.000 1.307 87 P CA 0.174 62.931 63.100 -0.572 0.000 0.777 87 P CB 0.058 31.497 31.700 -0.436 0.000 0.883 88 Y N 1.579 121.661 120.300 -0.362 0.000 2.367 88 Y HA 0.174 4.724 4.550 -0.000 0.000 0.342 88 Y C 1.237 176.872 175.900 -0.440 0.000 0.979 88 Y CA -0.218 57.577 58.100 -0.509 0.000 1.161 88 Y CB 0.842 38.987 38.460 -0.525 0.000 1.155 88 Y HN 0.255 nan 8.280 nan 0.000 0.503 89 E N 5.114 125.193 120.200 -0.202 0.000 2.070 89 E HA 0.076 4.425 4.350 -0.000 0.000 0.282 89 E C 0.512 177.167 176.600 0.091 0.000 1.104 89 E CA -0.039 56.326 56.400 -0.058 0.000 0.876 89 E CB 0.804 30.483 29.700 -0.035 0.000 1.055 89 E HN 0.729 nan 8.360 nan 0.000 0.401 90 M N 0.985 120.475 119.600 -0.182 0.000 2.419 90 M HA 0.074 4.553 4.480 -0.000 0.000 0.264 90 M C 1.137 177.703 176.300 0.443 0.000 1.082 90 M CA 0.594 55.831 55.300 -0.105 0.000 1.119 90 M CB -0.310 31.645 32.600 -1.076 0.000 1.398 90 M HN 0.419 nan 8.290 nan 0.000 0.453 91 G N -0.660 108.353 108.800 0.355 0.000 3.418 91 G HA2 0.485 4.445 3.960 -0.000 0.000 0.179 91 G HA3 0.485 4.445 3.960 -0.000 0.000 0.179 91 G C -0.382 174.629 174.900 0.185 0.000 1.212 91 G CA -0.100 45.213 45.100 0.355 0.000 0.935 91 G HN 0.330 nan 8.290 nan 0.000 0.716 92 G N -0.241 108.636 108.800 0.129 0.000 2.265 92 G HA2 0.408 4.368 3.960 -0.000 0.000 0.240 92 G HA3 0.408 4.368 3.960 -0.000 0.000 0.240 92 G C 0.410 175.345 174.900 0.059 0.000 1.270 92 G CA 1.007 46.173 45.100 0.111 0.000 0.901 92 G HN 0.483 nan 8.290 nan 0.000 0.507 93 T N 1.767 116.261 114.554 -0.101 0.000 3.272 93 T HA 0.149 4.499 4.350 -0.000 0.000 0.247 93 T C 0.394 174.901 174.700 -0.322 0.000 0.990 93 T CA -0.043 61.835 62.100 -0.370 0.000 1.213 93 T CB 0.266 68.519 68.868 -1.026 0.000 1.124 93 T HN 0.542 nan 8.240 nan 0.000 0.401 94 W N 3.397 124.708 121.300 0.017 0.000 2.303 94 W HA 0.608 5.268 4.660 -0.000 0.000 0.334 94 W C -0.151 176.288 176.519 -0.132 0.000 1.197 94 W CA -0.917 56.385 57.345 -0.072 0.000 1.262 94 W CB 0.585 29.994 29.460 -0.085 0.000 1.153 94 W HN 0.088 nan 8.180 nan 0.000 0.596 95 V N -0.958 118.992 119.914 0.061 0.000 3.181 95 V HA 0.632 4.752 4.120 -0.000 0.000 0.308 95 V C -0.961 175.105 176.094 -0.046 0.000 1.214 95 V CA -0.865 61.387 62.300 -0.080 0.000 1.053 95 V CB 2.749 34.478 31.823 -0.156 0.000 1.069 95 V HN 0.736 nan 8.190 nan 0.000 0.441 96 H N 0.071 118.962 119.070 -0.299 0.000 3.042 96 H HA 0.248 4.804 4.556 -0.000 0.000 0.346 96 H C -0.608 174.358 175.328 -0.603 0.000 1.294 96 H CA 0.001 55.707 56.048 -0.569 0.000 1.141 96 H CB 1.942 31.242 29.762 -0.770 0.000 1.872 96 H HN 0.967 nan 8.280 nan 0.000 0.541 97 W N 1.583 122.090 121.300 -1.321 0.000 2.611 97 W HA 0.067 4.727 4.660 -0.000 0.000 0.251 97 W C 0.796 177.024 176.519 -0.486 0.000 1.265 97 W CA 0.327 56.773 57.345 -1.498 0.000 1.295 97 W CB -0.647 27.535 29.460 -2.129 0.000 1.129 97 W HN 0.536 nan 8.180 nan 0.000 0.630 98 H N 0.544 119.477 119.070 -0.228 0.000 2.556 98 H HA 0.101 4.657 4.556 -0.000 0.000 0.268 98 H C 0.368 175.688 175.328 -0.014 0.000 0.996 98 H CA 0.175 56.202 56.048 -0.035 0.000 1.157 98 H CB 0.114 29.853 29.762 -0.038 0.000 1.355 98 H HN 0.248 nan 8.280 nan 0.000 0.597 99 Q N 0.678 120.409 119.800 -0.115 0.000 2.430 99 Q HA 0.100 4.440 4.340 -0.000 0.000 0.245 99 Q C 0.867 176.887 176.000 0.034 0.000 1.021 99 Q CA -0.319 55.296 55.803 -0.314 0.000 0.867 99 Q CB 1.935 30.139 28.738 -0.889 0.000 1.210 99 Q HN 0.143 nan 8.270 nan 0.000 0.487 100 S N 2.997 118.779 115.700 0.136 0.000 2.365 100 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 100 S C 1.348 175.936 174.600 -0.020 0.000 1.039 100 S CA 1.570 59.777 58.200 0.011 0.000 1.033 100 S CB -0.010 63.075 63.200 -0.191 0.000 0.887 100 S HN 0.730 nan 8.310 nan 0.000 0.447 101 H N -0.702 118.483 119.070 0.191 0.000 2.415 101 H HA 0.142 4.698 4.556 -0.000 0.000 0.297 101 H C 2.445 177.895 175.328 0.204 0.000 1.048 101 H CA 1.242 57.399 56.048 0.182 0.000 1.365 101 H CB -0.702 29.164 29.762 0.174 0.000 1.421 101 H HN 0.401 nan 8.280 nan 0.000 0.533 102 V N 1.183 121.278 119.914 0.302 0.000 2.453 102 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 102 V C 2.161 178.417 176.094 0.271 0.000 1.048 102 V CA 1.172 63.649 62.300 0.295 0.000 1.049 102 V CB -0.459 31.464 31.823 0.167 0.000 0.672 102 V HN 0.524 nan 8.190 nan 0.000 0.457 103 W N 0.857 122.193 121.300 0.059 0.000 2.338 103 W HA -0.203 4.457 4.660 -0.000 0.000 0.304 103 W C 2.670 179.235 176.519 0.076 0.000 1.212 103 W CA 2.017 59.392 57.345 0.050 0.000 1.264 103 W CB -0.242 29.241 29.460 0.039 0.000 1.142 103 W HN 0.190 nan 8.180 nan 0.000 0.512 104 R N 0.993 121.562 120.500 0.114 0.000 2.096 104 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 104 R C 1.722 177.977 176.300 -0.075 0.000 1.139 104 R CA 1.947 58.052 56.100 0.007 0.000 0.952 104 R CB -0.716 29.617 30.300 0.055 0.000 0.854 104 R HN 0.182 nan 8.270 nan 0.000 0.436 105 E N 0.405 120.631 120.200 0.044 0.000 2.150 105 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 105 E C 2.216 178.866 176.600 0.085 0.000 0.985 105 E CA 0.881 57.295 56.400 0.023 0.000 0.814 105 E CB -0.244 29.654 29.700 0.330 0.000 0.752 105 E HN 0.452 nan 8.360 nan 0.000 0.466 106 I N 1.595 122.190 120.570 0.042 0.000 2.179 106 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 106 I C 2.785 178.752 176.117 -0.250 0.000 1.088 106 I CA 1.800 63.022 61.300 -0.131 0.000 1.357 106 I CB -0.631 37.021 38.000 -0.580 0.000 1.051 106 I HN 0.184 nan 8.210 nan 0.000 0.409 107 T N -0.785 113.485 114.554 -0.472 0.000 2.674 107 T HA -0.280 4.070 4.350 -0.000 0.000 0.265 107 T C 2.049 176.667 174.700 -0.137 0.000 1.039 107 T CA 1.362 63.285 62.100 -0.295 0.000 1.150 107 T CB -0.574 68.079 68.868 -0.359 0.000 0.864 107 T HN 0.253 nan 8.240 nan 0.000 0.427 108 R N -0.175 120.204 120.500 -0.203 0.000 2.103 108 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 108 R C 1.828 177.993 176.300 -0.224 0.000 1.142 108 R CA 1.619 57.569 56.100 -0.250 0.000 0.960 108 R CB -0.455 29.616 30.300 -0.382 0.000 0.858 108 R HN 0.517 nan 8.270 nan 0.000 0.439 109 Y N 0.498 120.758 120.300 -0.066 0.000 2.529 109 Y HA 0.164 4.714 4.550 -0.000 0.000 0.290 109 Y C 0.307 176.191 175.900 -0.027 0.000 1.177 109 Y CA 0.195 58.261 58.100 -0.056 0.000 1.305 109 Y CB 0.056 38.483 38.460 -0.056 0.000 1.047 109 Y HN 0.023 nan 8.280 nan 0.000 0.522 110 K N -0.462 120.011 120.400 0.122 0.000 3.125 110 K HA -0.249 4.071 4.320 -0.000 0.000 0.268 110 K C 0.342 176.891 176.600 -0.085 0.000 1.078 110 K CA 0.709 57.053 56.287 0.095 0.000 0.775 110 K CB -1.612 30.927 32.500 0.065 0.000 1.253 110 K HN 0.408 nan 8.250 nan 0.000 0.486 111 M N -0.104 119.469 119.600 -0.044 0.000 2.404 111 M HA 0.035 4.515 4.480 -0.000 0.000 0.271 111 M C 1.646 177.851 176.300 -0.160 0.000 1.128 111 M CA -0.127 55.126 55.300 -0.078 0.000 0.982 111 M CB 0.141 32.797 32.600 0.093 0.000 1.445 111 M HN 0.280 nan 8.290 nan 0.000 0.495 112 H N -0.949 118.018 119.070 -0.172 0.000 2.489 112 H HA 0.022 4.578 4.556 -0.000 0.000 0.293 112 H C 0.489 175.807 175.328 -0.018 0.000 1.066 112 H CA 0.900 56.834 56.048 -0.190 0.000 1.305 112 H CB -0.418 29.234 29.762 -0.183 0.000 1.386 112 H HN 0.342 nan 8.280 nan 0.000 0.551 113 N N 0.621 119.103 118.700 -0.362 0.000 2.235 113 N HA 0.217 4.957 4.740 -0.000 0.000 0.209 113 N C 0.513 175.964 175.510 -0.099 0.000 1.122 113 N CA 0.552 53.499 53.050 -0.172 0.000 0.845 113 N CB 0.905 39.273 38.487 -0.199 0.000 1.004 113 N HN 0.457 nan 8.380 nan 0.000 0.499 114 A N 0.479 123.261 122.820 -0.063 0.000 2.708 114 A HA 0.377 4.697 4.320 -0.000 0.000 0.293 114 A C 0.255 177.883 177.584 0.074 0.000 1.303 114 A CA -0.256 51.790 52.037 0.015 0.000 0.949 114 A CB -0.153 18.872 19.000 0.042 0.000 1.121 114 A HN 0.089 nan 8.150 nan 0.000 0.542 115 L N -0.033 121.208 121.223 0.031 0.000 2.334 115 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 115 L C -0.033 176.871 176.870 0.056 0.000 1.018 115 L CA -0.577 54.279 54.840 0.026 0.000 0.811 115 L CB 2.024 44.083 42.059 -0.000 0.000 1.271 115 L HN 0.148 nan 8.230 nan 0.000 0.443 116 S N 0.587 116.347 115.700 0.099 0.000 2.536 116 S HA 0.593 5.063 4.470 -0.000 0.000 0.298 116 S C -2.704 172.043 174.600 0.244 0.000 1.083 116 S CA -1.367 56.913 58.200 0.135 0.000 0.995 116 S CB 1.803 65.067 63.200 0.106 0.000 1.058 116 S HN 0.371 nan 8.310 nan 0.000 0.488 117 P HA 0.352 nan 4.420 nan 0.000 0.282 117 P C 0.189 177.566 177.300 0.127 0.000 1.262 117 P CA -0.234 63.025 63.100 0.265 0.000 0.773 117 P CB 0.979 32.819 31.700 0.233 0.000 0.879 118 S N 2.275 118.006 115.700 0.052 0.000 2.348 118 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 118 S C 0.620 175.066 174.600 -0.256 0.000 1.033 118 S CA 1.129 59.281 58.200 -0.080 0.000 1.010 118 S CB -0.684 62.401 63.200 -0.191 0.000 0.891 118 S HN 0.423 nan 8.310 nan 0.000 0.442 119 F N 2.477 122.339 119.950 -0.147 0.000 2.456 119 F HA 0.428 4.955 4.527 -0.000 0.000 0.358 119 F C 0.633 176.211 175.800 -0.371 0.000 1.095 119 F CA -0.615 57.180 58.000 -0.342 0.000 1.216 119 F CB 0.290 38.893 39.000 -0.662 0.000 1.125 119 F HN 0.026 nan 8.300 nan 0.000 0.549 120 N N 3.316 121.937 118.700 -0.132 0.000 2.581 120 N HA 0.216 4.956 4.740 -0.000 0.000 0.279 120 N C -1.083 174.516 175.510 0.148 0.000 1.124 120 N CA -0.461 52.565 53.050 -0.040 0.000 0.833 120 N CB 0.309 38.838 38.487 0.071 0.000 1.338 120 N HN 0.262 nan 8.380 nan 0.000 0.533 121 F N 1.039 121.052 119.950 0.105 0.000 2.668 121 F HA 0.211 4.738 4.527 -0.000 0.000 0.297 121 F C 1.990 177.855 175.800 0.108 0.000 1.124 121 F CA -0.436 57.632 58.000 0.113 0.000 1.353 121 F CB -0.439 38.618 39.000 0.095 0.000 0.992 121 F HN 0.482 nan 8.300 nan 0.000 0.524 122 S N 0.285 116.135 115.700 0.249 0.000 2.524 122 S HA 0.193 4.663 4.470 -0.000 0.000 0.216 122 S C 0.682 175.366 174.600 0.140 0.000 0.987 122 S CA -0.318 57.982 58.200 0.167 0.000 0.909 122 S CB 0.050 63.321 63.200 0.118 0.000 0.781 122 S HN 0.500 nan 8.310 nan 0.000 0.521 123 R N -1.474 119.118 120.500 0.153 0.000 2.747 123 R HA 0.699 5.039 4.340 -0.000 0.000 0.272 123 R C 0.283 176.657 176.300 0.123 0.000 1.032 123 R CA -0.550 55.620 56.100 0.116 0.000 0.896 123 R CB 0.111 30.467 30.300 0.094 0.000 1.253 123 R HN 0.517 nan 8.270 nan 0.000 0.461 124 G N -0.215 108.637 108.800 0.087 0.000 2.615 124 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 124 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 124 G C 0.658 175.579 174.900 0.034 0.000 1.339 124 G CA 0.282 45.425 45.100 0.072 0.000 0.884 124 G HN 1.493 nan 8.290 nan 0.000 0.559 125 V N -1.919 117.987 119.914 -0.014 0.000 2.490 125 V HA 0.022 4.142 4.120 -0.000 0.000 0.250 125 V C 1.612 177.569 176.094 -0.228 0.000 1.061 125 V CA 2.473 64.664 62.300 -0.182 0.000 1.064 125 V CB -1.120 30.480 31.823 -0.371 0.000 0.670 125 V HN 2.590 nan 8.190 nan 0.000 0.461 126 N N 1.512 120.173 118.700 -0.064 0.000 2.725 126 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 126 N C -0.255 175.138 175.510 -0.195 0.000 1.031 126 N CA 1.383 54.431 53.050 -0.004 0.000 0.720 126 N CB -1.763 36.754 38.487 0.049 0.000 0.930 126 N HN 1.169 nan 8.380 nan 0.000 0.543 127 H N -2.428 116.532 119.070 -0.183 0.000 2.977 127 H HA 0.661 5.217 4.556 -0.000 0.000 0.350 127 H C -1.288 173.794 175.328 -0.410 0.000 1.238 127 H CA -1.239 54.572 56.048 -0.395 0.000 1.124 127 H CB 0.090 29.820 29.762 -0.054 0.000 1.866 127 H HN -0.006 nan 8.280 nan 0.000 0.550 128 F N 1.497 121.269 119.950 -0.296 0.000 2.427 128 F HA 0.381 4.908 4.527 -0.000 0.000 0.346 128 F C -0.350 175.313 175.800 -0.228 0.000 1.120 128 F CA -0.700 57.144 58.000 -0.261 0.000 1.033 128 F CB 1.666 40.527 39.000 -0.231 0.000 1.126 128 F HN 0.741 nan 8.300 nan 0.000 0.462 129 Q N 7.003 126.364 119.800 -0.731 0.000 2.400 129 Q HA 0.435 4.775 4.340 -0.000 0.000 0.255 129 Q C -1.829 173.575 176.000 -0.993 0.000 1.008 129 Q CA -0.967 54.381 55.803 -0.758 0.000 0.841 129 Q CB 1.194 29.845 28.738 -0.145 0.000 1.220 129 Q HN 0.794 nan 8.270 nan 0.000 0.474 130 L N 4.457 125.066 121.223 -1.025 0.000 2.282 130 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 130 L C -1.179 175.494 176.870 -0.329 0.000 1.033 130 L CA 0.048 54.467 54.840 -0.701 0.000 0.807 130 L CB 1.200 42.908 42.059 -0.585 0.000 1.209 130 L HN 0.576 nan 8.230 nan 0.000 0.423 131 R N 2.579 123.014 120.500 -0.108 0.000 2.422 131 R HA 0.343 4.683 4.340 -0.000 0.000 0.307 131 R C 0.415 176.863 176.300 0.247 0.000 1.004 131 R CA 0.304 56.449 56.100 0.075 0.000 0.882 131 R CB 1.338 31.774 30.300 0.226 0.000 1.164 131 R HN 0.816 nan 8.270 nan 0.000 0.489 132 T N -1.372 113.272 114.554 0.150 0.000 3.040 132 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 132 T C 0.314 175.086 174.700 0.119 0.000 1.058 132 T CA -0.084 62.122 62.100 0.176 0.000 0.988 132 T CB -0.271 68.651 68.868 0.090 0.000 0.993 132 T HN 0.608 nan 8.240 nan 0.000 0.519 133 N N -0.548 118.117 118.700 -0.058 0.000 2.494 133 N HA 0.490 5.229 4.740 -0.000 0.000 0.270 133 N C -3.040 171.885 175.510 -0.974 0.000 1.285 133 N CA -1.999 50.796 53.050 -0.424 0.000 0.812 133 N CB 1.071 39.411 38.487 -0.245 0.000 1.557 133 N HN -0.307 nan 8.380 nan 0.000 0.487 134 P HA -0.015 nan 4.420 nan 0.000 0.230 134 P C 0.555 177.577 177.300 -0.462 0.000 1.158 134 P CA 1.021 63.443 63.100 -1.130 0.000 0.769 134 P CB 0.295 31.594 31.700 -0.669 0.000 0.807 135 T N -3.249 111.101 114.554 -0.340 0.000 3.015 135 T HA 0.127 4.477 4.350 -0.000 0.000 0.250 135 T C 0.666 175.291 174.700 -0.125 0.000 1.057 135 T CA 0.739 62.729 62.100 -0.182 0.000 1.066 135 T CB 0.032 68.813 68.868 -0.145 0.000 0.959 135 T HN 0.002 nan 8.240 nan 0.000 0.488 136 T N 0.152 114.623 114.554 -0.138 0.000 2.887 136 T HA 0.695 5.044 4.350 -0.000 0.000 0.292 136 T C -1.511 173.128 174.700 -0.102 0.000 1.087 136 T CA -0.504 61.542 62.100 -0.090 0.000 1.009 136 T CB 1.995 70.816 68.868 -0.078 0.000 1.203 136 T HN 0.060 nan 8.240 nan 0.000 0.518 137 S N 0.461 116.089 115.700 -0.120 0.000 2.570 137 S HA 0.747 5.217 4.470 -0.000 0.000 0.286 137 S C -1.094 173.303 174.600 -0.339 0.000 1.099 137 S CA -0.617 57.410 58.200 -0.289 0.000 0.913 137 S CB 2.039 64.952 63.200 -0.479 0.000 1.085 137 S HN 0.740 nan 8.310 nan 0.000 0.480 138 T N 2.438 116.711 114.554 -0.469 0.000 2.824 138 T HA 0.572 4.922 4.350 -0.000 0.000 0.282 138 T C -1.572 172.768 174.700 -0.600 0.000 0.993 138 T CA -0.287 61.591 62.100 -0.371 0.000 0.967 138 T CB 0.481 69.219 68.868 -0.217 0.000 0.960 138 T HN 0.438 nan 8.240 nan 0.000 0.441 139 Y N 3.384 123.549 120.300 -0.225 0.000 2.364 139 Y HA 0.698 5.248 4.550 -0.000 0.000 0.340 139 Y C 0.361 176.148 175.900 -0.189 0.000 0.975 139 Y CA -1.186 56.727 58.100 -0.313 0.000 1.089 139 Y CB 1.452 39.689 38.460 -0.372 0.000 1.192 139 Y HN 0.565 nan 8.280 nan 0.000 0.454 140 M N 0.169 119.761 119.600 -0.012 0.000 2.664 140 M HA 0.667 5.147 4.480 -0.000 0.000 0.279 140 M C -0.696 175.607 176.300 0.004 0.000 1.275 140 M CA -1.045 54.273 55.300 0.030 0.000 0.829 140 M CB 2.076 34.713 32.600 0.061 0.000 1.727 140 M HN 0.552 nan 8.290 nan 0.000 0.459 141 T N -2.246 112.295 114.554 -0.023 0.000 2.856 141 T HA 0.189 4.539 4.350 -0.000 0.000 0.306 141 T C 0.840 175.454 174.700 -0.145 0.000 1.062 141 T CA -0.099 61.943 62.100 -0.097 0.000 1.083 141 T CB 0.251 69.095 68.868 -0.040 0.000 0.984 141 T HN 0.708 nan 8.240 nan 0.000 0.542 142 H N 0.840 119.819 119.070 -0.152 0.000 2.489 142 H HA -0.030 4.526 4.556 -0.000 0.000 0.293 142 H C 1.915 177.154 175.328 -0.148 0.000 1.066 142 H CA 1.645 57.539 56.048 -0.257 0.000 1.305 142 H CB 0.034 29.408 29.762 -0.648 0.000 1.386 142 H HN 0.753 nan 8.280 nan 0.000 0.551 143 E N 0.826 121.033 120.200 0.012 0.000 2.015 143 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 143 E C 2.514 179.103 176.600 -0.018 0.000 0.991 143 E CA 1.105 57.511 56.400 0.010 0.000 0.802 143 E CB -0.391 29.318 29.700 0.015 0.000 0.759 143 E HN 0.365 nan 8.360 nan 0.000 0.447 144 A N 1.084 123.893 122.820 -0.019 0.000 1.978 144 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 144 A C 2.153 179.708 177.584 -0.048 0.000 1.170 144 A CA 1.914 53.938 52.037 -0.021 0.000 0.636 144 A CB -0.607 18.394 19.000 0.002 0.000 0.810 144 A HN 0.346 nan 8.150 nan 0.000 0.448 145 E N -0.027 120.126 120.200 -0.078 0.000 2.031 145 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 145 E C 1.273 177.704 176.600 -0.281 0.000 0.994 145 E CA 1.459 57.703 56.400 -0.259 0.000 0.800 145 E CB -0.208 29.213 29.700 -0.465 0.000 0.752 145 E HN 0.552 nan 8.360 nan 0.000 0.447 146 D N 0.290 120.598 120.400 -0.154 0.000 2.133 146 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 146 D C 1.924 178.105 176.300 -0.199 0.000 0.997 146 D CA 1.442 55.386 54.000 -0.094 0.000 0.840 146 D CB -0.262 40.574 40.800 0.059 0.000 0.947 146 D HN 0.257 nan 8.370 nan 0.000 0.452 147 E N 0.511 120.632 120.200 -0.132 0.000 2.072 147 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 147 E C 1.994 178.506 176.600 -0.148 0.000 0.982 147 E CA 0.276 56.609 56.400 -0.112 0.000 0.803 147 E CB -0.484 29.178 29.700 -0.062 0.000 0.755 147 E HN 0.136 nan 8.360 nan 0.000 0.453 148 L N 0.225 121.356 121.223 -0.153 0.000 1.990 148 L HA -0.155 4.185 4.340 -0.000 0.000 0.213 148 L C 2.266 178.985 176.870 -0.252 0.000 1.072 148 L CA 1.800 56.548 54.840 -0.153 0.000 0.755 148 L CB -0.612 41.385 42.059 -0.104 0.000 0.889 148 L HN 0.289 nan 8.230 nan 0.000 0.432 149 L N -0.923 120.039 121.223 -0.435 0.000 2.056 149 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 149 L C 2.786 179.300 176.870 -0.594 0.000 1.078 149 L CA 1.473 55.909 54.840 -0.672 0.000 0.749 149 L CB -0.573 40.768 42.059 -1.196 0.000 0.901 149 L HN 0.309 nan 8.230 nan 0.000 0.433 150 R N -0.520 119.692 120.500 -0.480 0.000 2.096 150 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 150 R C 2.488 178.767 176.300 -0.036 0.000 1.139 150 R CA 2.060 58.070 56.100 -0.151 0.000 0.952 150 R CB -0.407 29.861 30.300 -0.052 0.000 0.854 150 R HN 0.263 nan 8.270 nan 0.000 0.436 151 S N -0.480 115.175 115.700 -0.076 0.000 2.368 151 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 151 S C 1.931 176.532 174.600 0.002 0.000 1.029 151 S CA 1.196 59.389 58.200 -0.013 0.000 0.988 151 S CB -0.163 63.012 63.200 -0.042 0.000 0.838 151 S HN 0.552 nan 8.310 nan 0.000 0.462 152 A N 1.101 123.868 122.820 -0.088 0.000 1.872 152 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 152 A C 2.167 179.694 177.584 -0.095 0.000 1.187 152 A CA 1.123 53.096 52.037 -0.108 0.000 0.614 152 A CB -0.738 18.152 19.000 -0.184 0.000 0.826 152 A HN 0.547 nan 8.150 nan 0.000 0.442 153 L N -1.286 119.866 121.223 -0.118 0.000 2.201 153 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 153 L C 2.544 179.381 176.870 -0.055 0.000 1.105 153 L CA 1.500 56.277 54.840 -0.106 0.000 0.775 153 L CB -0.553 41.468 42.059 -0.063 0.000 0.913 153 L HN 0.678 nan 8.230 nan 0.000 0.440 154 H N 0.522 119.593 119.070 0.000 0.000 2.321 154 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 154 H C 2.237 177.573 175.328 0.014 0.000 1.087 154 H CA 1.827 57.907 56.048 0.054 0.000 1.319 154 H CB 0.164 29.972 29.762 0.076 0.000 1.379 154 H HN 0.089 nan 8.280 nan 0.000 0.501 155 K N -0.814 119.538 120.400 -0.080 0.000 2.026 155 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 155 K C 2.059 178.605 176.600 -0.090 0.000 1.048 155 K CA 1.307 57.525 56.287 -0.116 0.000 0.929 155 K CB -0.322 32.172 32.500 -0.010 0.000 0.713 155 K HN 0.185 nan 8.250 nan 0.000 0.439 156 F N 1.810 121.629 119.950 -0.218 0.000 2.095 156 F HA -0.248 4.278 4.527 -0.000 0.000 0.298 156 F C 2.384 178.105 175.800 -0.132 0.000 1.104 156 F CA 2.062 59.935 58.000 -0.211 0.000 1.232 156 F CB -0.620 38.228 39.000 -0.253 0.000 0.987 156 F HN 0.091 nan 8.300 nan 0.000 0.475 157 T N -2.934 111.511 114.554 -0.181 0.000 3.081 157 T HA 0.014 4.364 4.350 -0.000 0.000 0.255 157 T C 1.167 175.744 174.700 -0.204 0.000 1.113 157 T CA 0.362 62.285 62.100 -0.294 0.000 1.082 157 T CB -0.634 67.793 68.868 -0.735 0.000 0.939 157 T HN 0.092 nan 8.240 nan 0.000 0.506 158 N N 2.453 121.012 118.700 -0.235 0.000 3.115 158 N HA 0.104 4.844 4.740 -0.000 0.000 0.305 158 N C 1.278 176.702 175.510 -0.143 0.000 1.305 158 N CA -0.087 52.838 53.050 -0.208 0.000 1.154 158 N CB 0.022 38.279 38.487 -0.383 0.000 1.454 158 N HN 0.475 nan 8.380 nan 0.000 0.551 159 V N -2.155 117.672 119.914 -0.145 0.000 3.306 159 V HA 0.077 4.197 4.120 -0.000 0.000 0.264 159 V C 0.634 176.707 176.094 -0.034 0.000 1.149 159 V CA 1.299 63.517 62.300 -0.136 0.000 1.143 159 V CB -0.238 31.362 31.823 -0.372 0.000 0.767 159 V HN 0.338 nan 8.190 nan 0.000 0.476 160 D N -1.148 119.240 120.400 -0.020 0.000 2.539 160 D HA 0.310 4.950 4.640 -0.000 0.000 0.232 160 D C 1.484 177.802 176.300 0.030 0.000 1.256 160 D CA 0.354 54.377 54.000 0.039 0.000 0.810 160 D CB 0.296 41.135 40.800 0.066 0.000 1.090 160 D HN 0.723 nan 8.370 nan 0.000 0.519 161 G N 0.660 109.467 108.800 0.012 0.000 2.176 161 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.253 161 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.253 161 G C 0.769 175.693 174.900 0.039 0.000 0.979 161 G CA 0.794 45.909 45.100 0.024 0.000 0.641 161 G HN 0.940 nan 8.290 nan 0.000 0.530 162 T N -2.874 111.700 114.554 0.034 0.000 3.541 162 T HA 0.374 4.724 4.350 -0.000 0.000 0.309 162 T C 0.604 175.348 174.700 0.073 0.000 0.973 162 T CA 0.612 62.732 62.100 0.033 0.000 0.993 162 T CB -0.221 68.630 68.868 -0.029 0.000 1.206 162 T HN 0.694 nan 8.240 nan 0.000 0.489 163 N N 1.372 120.146 118.700 0.123 0.000 2.708 163 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 163 N C 1.188 176.929 175.510 0.386 0.000 1.097 163 N CA 1.507 54.713 53.050 0.259 0.000 0.710 163 N CB -1.581 37.221 38.487 0.525 0.000 1.032 163 N HN 1.228 nan 8.380 nan 0.000 0.551 164 G N -0.671 108.252 108.800 0.204 0.000 2.238 164 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 164 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 164 G C 0.954 175.987 174.900 0.222 0.000 0.996 164 G CA 0.395 45.659 45.100 0.275 0.000 0.632 164 G HN 0.465 nan 8.290 nan 0.000 0.503 165 R N 0.368 120.823 120.500 -0.076 0.000 2.152 165 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 165 R C 2.466 178.678 176.300 -0.146 0.000 1.117 165 R CA 1.778 57.659 56.100 -0.364 0.000 0.981 165 R CB -0.339 29.599 30.300 -0.603 0.000 0.870 165 R HN 0.452 nan 8.270 nan 0.000 0.451 166 T N 0.236 114.771 114.554 -0.033 0.000 2.894 166 T HA -0.051 4.299 4.350 -0.000 0.000 0.258 166 T C 2.007 176.768 174.700 0.100 0.000 1.043 166 T CA 1.291 63.404 62.100 0.021 0.000 1.141 166 T CB 0.015 68.908 68.868 0.041 0.000 0.873 166 T HN 0.214 nan 8.240 nan 0.000 0.449 167 V N -0.952 119.056 119.914 0.157 0.000 2.719 167 V HA 0.304 4.424 4.120 -0.000 0.000 0.252 167 V C 1.011 177.250 176.094 0.241 0.000 1.065 167 V CA 0.712 63.178 62.300 0.276 0.000 1.086 167 V CB -0.433 31.643 31.823 0.421 0.000 0.700 167 V HN 0.281 nan 8.190 nan 0.000 0.467 168 L N 2.099 123.398 121.223 0.127 0.000 2.594 168 L HA 0.551 4.891 4.340 -0.000 0.000 0.245 168 L C -1.673 175.185 176.870 -0.019 0.000 1.460 168 L CA -1.464 53.348 54.840 -0.046 0.000 0.865 168 L CB 1.342 43.283 42.059 -0.196 0.000 1.131 168 L HN 0.012 nan 8.230 nan 0.000 0.506 169 P HA -0.039 nan 4.420 nan 0.000 0.220 169 P C 0.003 176.933 177.300 -0.616 0.000 1.152 169 P CA 1.009 63.868 63.100 -0.403 0.000 0.812 169 P CB 0.121 31.465 31.700 -0.593 0.000 0.792 170 F N 0.023 119.862 119.950 -0.186 0.000 2.453 170 F HA 0.388 4.914 4.527 -0.000 0.000 0.358 170 F C -1.687 174.022 175.800 -0.151 0.000 1.129 170 F CA -2.586 55.301 58.000 -0.188 0.000 1.200 170 F CB 1.007 39.806 39.000 -0.334 0.000 1.431 170 F HN -0.145 nan 8.300 nan 0.000 0.503 171 P HA -0.176 nan 4.420 nan 0.000 0.219 171 P C 1.071 178.291 177.300 -0.132 0.000 1.146 171 P CA 1.641 64.575 63.100 -0.277 0.000 0.808 171 P CB 0.034 31.334 31.700 -0.666 0.000 0.779 172 H N -1.880 117.166 119.070 -0.040 0.000 2.521 172 H HA 0.008 4.564 4.556 -0.000 0.000 0.286 172 H C 0.449 175.783 175.328 0.009 0.000 1.034 172 H CA 1.123 57.178 56.048 0.012 0.000 1.278 172 H CB -0.347 29.418 29.762 0.005 0.000 1.386 172 H HN 0.090 nan 8.280 nan 0.000 0.567 173 D N 0.096 120.567 120.400 0.118 0.000 2.412 173 D HA 0.050 4.690 4.640 -0.000 0.000 0.276 173 D C 1.189 177.514 176.300 0.042 0.000 1.196 173 D CA -0.366 53.689 54.000 0.091 0.000 0.905 173 D CB 0.040 40.923 40.800 0.138 0.000 1.081 173 D HN 0.265 nan 8.370 nan 0.000 0.502 174 M N -0.324 119.186 119.600 -0.149 0.000 2.279 174 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 174 M C 0.167 176.386 176.300 -0.135 0.000 1.062 174 M CA 1.339 56.442 55.300 -0.329 0.000 1.099 174 M CB -0.320 32.015 32.600 -0.441 0.000 1.394 174 M HN 0.027 nan 8.290 nan 0.000 0.426 175 F N -0.962 119.099 119.950 0.185 0.000 2.693 175 F HA 0.210 4.737 4.527 -0.000 0.000 0.303 175 F C 1.777 177.699 175.800 0.203 0.000 1.097 175 F CA -0.883 57.239 58.000 0.203 0.000 1.330 175 F CB -1.189 37.899 39.000 0.148 0.000 1.067 175 F HN 0.102 nan 8.300 nan 0.000 0.565 176 Y N 0.452 120.895 120.300 0.238 0.000 2.151 176 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 176 Y C 0.804 176.830 175.900 0.209 0.000 1.166 176 Y CA 1.230 59.455 58.100 0.209 0.000 1.163 176 Y CB 0.065 38.672 38.460 0.244 0.000 0.974 176 Y HN -0.241 nan 8.280 nan 0.000 0.511 177 V N 3.580 123.727 119.914 0.389 0.000 2.328 177 V HA 0.138 4.258 4.120 -0.000 0.000 0.278 177 V C -1.390 174.896 176.094 0.319 0.000 1.021 177 V CA -1.313 61.161 62.300 0.290 0.000 0.838 177 V CB 1.284 33.292 31.823 0.308 0.000 0.999 177 V HN 0.152 nan 8.190 nan 0.000 0.447 178 P HA -0.195 nan 4.420 nan 0.000 0.218 178 P C 1.343 178.784 177.300 0.234 0.000 1.149 178 P CA 0.984 64.222 63.100 0.230 0.000 0.817 178 P CB 0.504 32.268 31.700 0.106 0.000 0.785 179 E N -0.800 119.520 120.200 0.200 0.000 2.333 179 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 179 E C 1.689 178.417 176.600 0.214 0.000 1.010 179 E CA 0.452 56.949 56.400 0.163 0.000 0.841 179 E CB -0.711 29.090 29.700 0.167 0.000 0.757 179 E HN 0.139 nan 8.360 nan 0.000 0.508 180 F N 1.297 121.386 119.950 0.231 0.000 2.186 180 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 180 F C 2.333 178.272 175.800 0.231 0.000 1.090 180 F CA 1.626 59.804 58.000 0.297 0.000 1.307 180 F CB -0.168 38.994 39.000 0.270 0.000 1.019 180 F HN -0.094 nan 8.300 nan 0.000 0.489 181 R N 1.058 121.696 120.500 0.230 0.000 2.140 181 R HA -0.302 4.038 4.340 -0.000 0.000 0.250 181 R C 2.463 178.699 176.300 -0.106 0.000 1.150 181 R CA 2.270 58.456 56.100 0.143 0.000 0.966 181 R CB -0.519 29.923 30.300 0.237 0.000 0.869 181 R HN 0.379 nan 8.270 nan 0.000 0.445 182 K N -0.607 119.667 120.400 -0.210 0.000 2.113 182 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 182 K C 1.652 178.021 176.600 -0.384 0.000 1.047 182 K CA 1.896 57.982 56.287 -0.334 0.000 0.928 182 K CB -0.211 32.004 32.500 -0.475 0.000 0.716 182 K HN 0.274 nan 8.250 nan 0.000 0.446 183 Y N 0.834 121.022 120.300 -0.186 0.000 2.286 183 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 183 Y C 2.062 177.851 175.900 -0.185 0.000 1.124 183 Y CA 1.247 59.271 58.100 -0.127 0.000 1.178 183 Y CB -0.656 37.670 38.460 -0.223 0.000 1.010 183 Y HN 0.285 nan 8.280 nan 0.000 0.536 184 D N 0.412 120.631 120.400 -0.303 0.000 2.182 184 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 184 D C 1.432 177.738 176.300 0.010 0.000 0.986 184 D CA 1.336 55.262 54.000 -0.122 0.000 0.847 184 D CB -0.004 40.754 40.800 -0.070 0.000 0.942 184 D HN 0.406 nan 8.370 nan 0.000 0.467 185 E N -1.090 119.106 120.200 -0.007 0.000 2.481 185 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 185 E C 0.267 176.896 176.600 0.047 0.000 1.047 185 E CA -0.014 56.397 56.400 0.019 0.000 0.867 185 E CB 0.207 29.901 29.700 -0.010 0.000 0.858 185 E HN 0.389 nan 8.360 nan 0.000 0.513 186 M N 0.787 120.451 119.600 0.106 0.000 2.314 186 M HA 0.124 4.604 4.480 -0.000 0.000 0.342 186 M C 0.221 176.641 176.300 0.200 0.000 1.171 186 M CA -0.443 54.944 55.300 0.146 0.000 1.098 186 M CB 1.546 34.265 32.600 0.199 0.000 1.559 186 M HN -0.103 nan 8.290 nan 0.000 0.459 187 S N 1.410 117.198 115.700 0.147 0.000 2.616 187 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 187 S C 0.823 175.601 174.600 0.296 0.000 1.234 187 S CA -0.736 57.564 58.200 0.167 0.000 1.028 187 S CB 0.639 63.891 63.200 0.086 0.000 0.988 187 S HN 0.628 nan 8.310 nan 0.000 0.522 188 Y N 1.790 122.210 120.300 0.199 0.000 2.062 188 Y HA -0.205 4.345 4.550 -0.000 0.000 0.273 188 Y C 3.126 179.090 175.900 0.105 0.000 1.206 188 Y CA 1.459 59.693 58.100 0.223 0.000 1.125 188 Y CB -1.454 37.089 38.460 0.139 0.000 0.951 188 Y HN 0.838 nan 8.280 nan 0.000 0.501 189 S N -0.560 115.291 115.700 0.250 0.000 2.374 189 S HA -0.228 4.242 4.470 -0.000 0.000 0.227 189 S C 1.971 176.609 174.600 0.063 0.000 1.037 189 S CA 1.717 59.993 58.200 0.127 0.000 1.024 189 S CB -0.211 63.044 63.200 0.091 0.000 0.861 189 S HN 0.587 nan 8.310 nan 0.000 0.456 190 E N -0.076 120.151 120.200 0.045 0.000 2.106 190 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 190 E C 2.323 178.872 176.600 -0.085 0.000 0.984 190 E CA 0.978 57.371 56.400 -0.012 0.000 0.806 190 E CB -0.099 29.597 29.700 -0.008 0.000 0.750 190 E HN 0.242 nan 8.360 nan 0.000 0.458 191 R N 1.295 121.692 120.500 -0.171 0.000 2.070 191 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 191 R C 2.013 178.212 176.300 -0.168 0.000 1.137 191 R CA 1.352 57.217 56.100 -0.391 0.000 0.945 191 R CB -0.654 29.027 30.300 -1.032 0.000 0.845 191 R HN 0.127 nan 8.270 nan 0.000 0.430 192 I N 1.061 121.630 120.570 -0.000 0.000 2.248 192 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 192 I C 1.471 177.584 176.117 -0.008 0.000 1.107 192 I CA 1.626 62.946 61.300 0.032 0.000 1.373 192 I CB -0.372 37.655 38.000 0.045 0.000 1.055 192 I HN 0.247 nan 8.210 nan 0.000 0.418 193 D N 0.388 120.778 120.400 -0.016 0.000 2.178 193 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 193 D C 2.196 178.476 176.300 -0.033 0.000 0.980 193 D CA 1.105 55.094 54.000 -0.018 0.000 0.842 193 D CB -0.177 40.614 40.800 -0.014 0.000 0.948 193 D HN 0.503 nan 8.370 nan 0.000 0.472 194 Q N -0.204 119.561 119.800 -0.059 0.000 2.297 194 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 194 Q C 2.067 178.035 176.000 -0.054 0.000 0.962 194 Q CA 0.708 56.472 55.803 -0.064 0.000 0.879 194 Q CB 0.234 28.913 28.738 -0.098 0.000 0.947 194 Q HN 0.489 nan 8.270 nan 0.000 0.462 195 I N -3.004 117.537 120.570 -0.049 0.000 4.240 195 I HA 0.182 4.352 4.170 -0.000 0.000 0.331 195 I C 1.844 177.950 176.117 -0.020 0.000 1.381 195 I CA -0.310 60.968 61.300 -0.036 0.000 1.136 195 I CB 0.184 38.160 38.000 -0.039 0.000 1.137 195 I HN -0.102 nan 8.210 nan 0.000 0.411 196 R N 1.113 121.603 120.500 -0.016 0.000 2.127 196 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 196 R C 0.887 177.182 176.300 -0.009 0.000 1.134 196 R CA 2.115 58.209 56.100 -0.010 0.000 0.975 196 R CB -0.675 29.622 30.300 -0.006 0.000 0.865 196 R HN 0.260 nan 8.270 nan 0.000 0.447 197 D N 0.577 120.972 120.400 -0.009 0.000 2.348 197 D HA -0.080 4.559 4.640 -0.000 0.000 0.216 197 D C 1.010 177.307 176.300 -0.006 0.000 0.970 197 D CA 0.768 54.764 54.000 -0.007 0.000 0.889 197 D CB 0.066 40.862 40.800 -0.006 0.000 0.912 197 D HN 0.384 nan 8.370 nan 0.000 0.524 198 E N -0.161 120.035 120.200 -0.007 0.000 2.474 198 E HA 0.146 4.496 4.350 -0.000 0.000 0.195 198 E C 0.341 176.938 176.600 -0.005 0.000 1.039 198 E CA -0.019 56.379 56.400 -0.004 0.000 0.881 198 E CB 0.908 30.606 29.700 -0.003 0.000 0.970 198 E HN 0.305 nan 8.360 nan 0.000 0.486 199 L N 1.306 122.523 121.223 -0.009 0.000 2.329 199 L HA 0.266 4.606 4.340 -0.000 0.000 0.279 199 L C 0.640 177.503 176.870 -0.011 0.000 1.014 199 L CA -0.744 54.087 54.840 -0.015 0.000 0.814 199 L CB 1.759 43.804 42.059 -0.024 0.000 1.257 199 L HN -0.104 nan 8.230 nan 0.000 0.424 200 S N 1.661 117.354 115.700 -0.013 0.000 2.655 200 S HA 0.201 4.671 4.470 -0.000 0.000 0.265 200 S C 0.861 175.459 174.600 -0.004 0.000 1.240 200 S CA -0.664 57.531 58.200 -0.008 0.000 0.986 200 S CB 1.154 64.349 63.200 -0.009 0.000 0.985 200 S HN 0.571 nan 8.310 nan 0.000 0.562 201 L N 1.240 122.465 121.223 0.003 0.000 2.043 201 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 201 L C 1.890 178.773 176.870 0.021 0.000 1.075 201 L CA 1.969 56.818 54.840 0.015 0.000 0.752 201 L CB -1.389 40.678 42.059 0.014 0.000 0.891 201 L HN 0.717 nan 8.230 nan 0.000 0.432 202 N N -0.397 118.308 118.700 0.009 0.000 2.216 202 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 202 N C 1.697 177.206 175.510 -0.001 0.000 1.017 202 N CA 1.291 54.349 53.050 0.013 0.000 0.861 202 N CB -0.116 38.376 38.487 0.008 0.000 0.986 202 N HN 0.519 nan 8.380 nan 0.000 0.428 203 E N 0.669 120.854 120.200 -0.024 0.000 2.017 203 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 203 E C 2.046 178.599 176.600 -0.078 0.000 0.997 203 E CA 0.861 57.226 56.400 -0.057 0.000 0.804 203 E CB -0.075 29.593 29.700 -0.054 0.000 0.757 203 E HN 0.240 nan 8.360 nan 0.000 0.448 204 R N 0.661 121.129 120.500 -0.054 0.000 2.096 204 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 204 R C 2.389 178.646 176.300 -0.072 0.000 1.127 204 R CA 1.571 57.629 56.100 -0.070 0.000 0.968 204 R CB -0.019 30.267 30.300 -0.023 0.000 0.861 204 R HN 0.016 nan 8.270 nan 0.000 0.440 205 S N 0.021 115.724 115.700 0.004 0.000 2.348 205 S HA -0.106 4.364 4.470 -0.000 0.000 0.221 205 S C 1.958 176.498 174.600 -0.100 0.000 1.033 205 S CA 1.529 59.768 58.200 0.065 0.000 1.010 205 S CB -0.158 63.147 63.200 0.174 0.000 0.891 205 S HN 0.354 nan 8.310 nan 0.000 0.442 206 S N 1.694 117.367 115.700 -0.044 0.000 2.353 206 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 206 S C 1.852 176.367 174.600 -0.142 0.000 1.035 206 S CA 1.332 59.505 58.200 -0.045 0.000 1.025 206 S CB -0.608 62.565 63.200 -0.046 0.000 0.902 206 S HN 0.367 nan 8.310 nan 0.000 0.440 207 L N 1.999 123.086 121.223 -0.228 0.000 1.970 207 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 207 L C 2.134 178.740 176.870 -0.441 0.000 1.071 207 L CA 1.933 56.559 54.840 -0.355 0.000 0.751 207 L CB -0.874 40.932 42.059 -0.421 0.000 0.889 207 L HN 0.288 nan 8.230 nan 0.000 0.432 208 E N -0.365 119.555 120.200 -0.467 0.000 2.058 208 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 208 E C 2.151 178.378 176.600 -0.622 0.000 0.997 208 E CA 1.245 57.316 56.400 -0.549 0.000 0.801 208 E CB -0.403 29.014 29.700 -0.472 0.000 0.746 208 E HN 0.685 nan 8.360 nan 0.000 0.450 209 A N 1.086 123.463 122.820 -0.739 0.000 1.908 209 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 209 A C 2.003 179.502 177.584 -0.142 0.000 1.181 209 A CA 1.317 53.097 52.037 -0.429 0.000 0.627 209 A CB -0.786 18.108 19.000 -0.176 0.000 0.818 209 A HN 0.326 nan 8.150 nan 0.000 0.445 210 F N 1.416 121.231 119.950 -0.226 0.000 2.102 210 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 210 F C 2.110 177.745 175.800 -0.276 0.000 1.105 210 F CA 1.922 59.804 58.000 -0.196 0.000 1.239 210 F CB -0.256 38.675 39.000 -0.114 0.000 0.991 210 F HN 0.358 nan 8.300 nan 0.000 0.474 211 I N -1.332 118.998 120.570 -0.401 0.000 2.315 211 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 211 I C 1.945 177.886 176.117 -0.294 0.000 1.117 211 I CA 1.527 62.442 61.300 -0.643 0.000 1.404 211 I CB -0.889 36.285 38.000 -1.376 0.000 1.071 211 I HN 0.178 nan 8.210 nan 0.000 0.419 212 L N 0.519 121.625 121.223 -0.194 0.000 2.141 212 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 212 L C 2.647 179.437 176.870 -0.133 0.000 1.094 212 L CA 0.898 55.692 54.840 -0.078 0.000 0.763 212 L CB -0.574 41.474 42.059 -0.019 0.000 0.908 212 L HN 0.350 nan 8.230 nan 0.000 0.437 213 L N -0.438 120.646 121.223 -0.232 0.000 2.079 213 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 213 L C 2.418 179.147 176.870 -0.236 0.000 1.081 213 L CA 1.831 56.502 54.840 -0.282 0.000 0.752 213 L CB -0.480 41.205 42.059 -0.623 0.000 0.896 213 L HN 0.247 nan 8.230 nan 0.000 0.433 214 C N -0.890 118.183 119.300 -0.377 0.000 2.450 214 C HA -0.015 4.445 4.460 -0.000 0.000 0.279 214 C C 3.050 177.811 174.990 -0.382 0.000 1.335 214 C CA 0.838 59.613 59.018 -0.405 0.000 1.749 214 C CB -1.214 26.247 27.740 -0.466 0.000 1.963 214 C HN 0.817 nan 8.230 nan 0.000 0.501 215 S N -0.219 115.152 115.700 -0.547 0.000 2.483 215 S HA 0.270 4.740 4.470 -0.000 0.000 0.221 215 S C 1.753 176.130 174.600 -0.372 0.000 1.030 215 S CA 1.323 58.880 58.200 -1.071 0.000 0.925 215 S CB -0.385 61.999 63.200 -1.360 0.000 0.795 215 S HN 0.962 nan 8.310 nan 0.000 0.511 216 G N 0.749 109.470 108.800 -0.132 0.000 2.205 216 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.269 216 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.269 216 G C 0.642 175.449 174.900 -0.155 0.000 0.977 216 G CA 0.632 45.635 45.100 -0.162 0.000 0.652 216 G HN 1.085 nan 8.290 nan 0.000 0.539 217 G N -1.004 107.679 108.800 -0.195 0.000 3.227 217 G HA2 0.755 4.715 3.960 -0.000 0.000 0.171 217 G HA3 0.755 4.715 3.960 -0.000 0.000 0.171 217 G C 0.378 175.223 174.900 -0.092 0.000 1.463 217 G CA 1.099 46.106 45.100 -0.156 0.000 1.016 217 G HN 1.430 nan 8.290 nan 0.000 0.594 218 T N -2.291 112.204 114.554 -0.098 0.000 2.907 218 T HA 0.490 4.840 4.350 -0.000 0.000 0.290 218 T C 1.217 175.896 174.700 -0.034 0.000 1.066 218 T CA -0.718 61.364 62.100 -0.029 0.000 1.012 218 T CB 1.567 70.422 68.868 -0.021 0.000 1.184 218 T HN 0.111 nan 8.240 nan 0.000 0.522 219 L N 0.061 121.322 121.223 0.063 0.000 2.141 219 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 219 L C 2.421 179.329 176.870 0.063 0.000 1.094 219 L CA 1.360 56.280 54.840 0.135 0.000 0.763 219 L CB -0.501 41.654 42.059 0.161 0.000 0.908 219 L HN 0.711 nan 8.230 nan 0.000 0.437 220 E N -0.105 120.107 120.200 0.021 0.000 2.230 220 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 220 E C 1.489 178.075 176.600 -0.023 0.000 0.987 220 E CA 0.694 57.100 56.400 0.010 0.000 0.841 220 E CB -0.123 29.583 29.700 0.010 0.000 0.783 220 E HN 0.516 nan 8.360 nan 0.000 0.481 221 N N -0.542 118.121 118.700 -0.062 0.000 2.236 221 N HA 0.032 4.772 4.740 -0.000 0.000 0.196 221 N C -0.430 175.012 175.510 -0.114 0.000 1.114 221 N CA -0.034 52.972 53.050 -0.073 0.000 0.859 221 N CB 0.390 38.837 38.487 -0.068 0.000 0.982 221 N HN -0.212 nan 8.380 nan 0.000 0.493 222 S N 0.249 115.803 115.700 -0.244 0.000 2.457 222 S HA 0.211 4.681 4.470 -0.000 0.000 0.289 222 S C -0.258 174.202 174.600 -0.234 0.000 1.163 222 S CA -0.756 57.197 58.200 -0.412 0.000 1.078 222 S CB 1.186 63.644 63.200 -1.236 0.000 0.987 222 S HN 0.305 nan 8.310 nan 0.000 0.482 223 S N 2.862 118.605 115.700 0.071 0.000 2.509 223 S HA 0.065 4.535 4.470 -0.000 0.000 0.287 223 S C 0.947 175.802 174.600 0.424 0.000 1.248 223 S CA -0.532 57.781 58.200 0.188 0.000 1.089 223 S CB -0.364 62.893 63.200 0.095 0.000 0.900 223 S HN 0.616 nan 8.310 nan 0.000 0.496 224 F N 5.814 125.967 119.950 0.339 0.000 2.095 224 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 224 F C 2.046 178.055 175.800 0.350 0.000 1.104 224 F CA 2.103 60.364 58.000 0.434 0.000 1.232 224 F CB -1.013 38.110 39.000 0.205 0.000 0.987 224 F HN 0.677 nan 8.300 nan 0.000 0.475 225 G N -0.616 108.182 108.800 -0.002 0.000 2.422 225 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 225 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 225 G C 1.485 176.476 174.900 0.152 0.000 1.146 225 G CA 0.932 45.964 45.100 -0.113 0.000 0.769 225 G HN 0.429 nan 8.290 nan 0.000 0.547 226 E N -0.105 120.162 120.200 0.112 0.000 2.085 226 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 226 E C 1.950 178.625 176.600 0.126 0.000 0.994 226 E CA 0.831 57.225 56.400 -0.009 0.000 0.801 226 E CB -0.453 28.923 29.700 -0.539 0.000 0.743 226 E HN 0.381 nan 8.360 nan 0.000 0.453 227 F N 0.565 120.658 119.950 0.238 0.000 2.095 227 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 227 F C 1.815 177.750 175.800 0.225 0.000 1.104 227 F CA 1.426 59.604 58.000 0.298 0.000 1.232 227 F CB -0.222 39.049 39.000 0.451 0.000 0.987 227 F HN 0.036 nan 8.300 nan 0.000 0.475 228 L N -0.475 120.769 121.223 0.035 0.000 2.129 228 L HA -0.310 4.030 4.340 -0.000 0.000 0.212 228 L C 2.666 179.574 176.870 0.062 0.000 1.087 228 L CA 1.671 56.503 54.840 -0.014 0.000 0.757 228 L CB -1.018 41.010 42.059 -0.051 0.000 0.896 228 L HN 0.364 nan 8.230 nan 0.000 0.434 229 H N -0.744 118.352 119.070 0.044 0.000 2.326 229 H HA -0.201 4.355 4.556 -0.000 0.000 0.301 229 H C 2.044 177.340 175.328 -0.054 0.000 1.081 229 H CA 2.067 58.100 56.048 -0.026 0.000 1.334 229 H CB -0.036 29.762 29.762 0.060 0.000 1.385 229 H HN 0.278 nan 8.280 nan 0.000 0.504 230 W N 0.868 122.078 121.300 -0.151 0.000 2.321 230 W HA -0.222 4.437 4.660 -0.000 0.000 0.306 230 W C 2.788 179.078 176.519 -0.382 0.000 1.217 230 W CA 0.862 58.076 57.345 -0.219 0.000 1.257 230 W CB -1.341 28.107 29.460 -0.020 0.000 1.145 230 W HN 0.406 nan 8.180 nan 0.000 0.509 231 W N 0.842 121.910 121.300 -0.387 0.000 2.354 231 W HA -0.196 4.464 4.660 -0.000 0.000 0.315 231 W C 2.124 178.275 176.519 -0.615 0.000 1.206 231 W CA 2.689 59.789 57.345 -0.409 0.000 1.290 231 W CB -0.880 28.379 29.460 -0.335 0.000 1.152 231 W HN -0.105 nan 8.180 nan 0.000 0.489 232 A N 1.116 123.522 122.820 -0.690 0.000 1.851 232 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 232 A C 1.957 178.834 177.584 -1.178 0.000 1.195 232 A CA 2.495 53.639 52.037 -1.488 0.000 0.622 232 A CB -1.239 17.165 19.000 -0.993 0.000 0.831 232 A HN 0.277 nan 8.150 nan 0.000 0.444 233 M N 0.331 119.310 119.600 -1.035 0.000 2.143 233 M HA -0.144 4.336 4.480 -0.000 0.000 0.258 233 M C 2.062 177.854 176.300 -0.847 0.000 1.071 233 M CA 1.844 56.425 55.300 -1.197 0.000 1.088 233 M CB -1.762 29.635 32.600 -2.005 0.000 1.360 233 M HN 0.386 nan 8.290 nan 0.000 0.404 234 S N -0.994 114.318 115.700 -0.647 0.000 2.562 234 S HA 0.255 4.725 4.470 -0.000 0.000 0.221 234 S C 1.428 175.798 174.600 -0.383 0.000 0.975 234 S CA 0.757 58.770 58.200 -0.312 0.000 0.918 234 S CB 0.121 63.169 63.200 -0.253 0.000 0.772 234 S HN 0.769 nan 8.310 nan 0.000 0.531 235 G N 0.411 108.906 108.800 -0.507 0.000 2.154 235 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.186 235 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.186 235 G C 0.211 174.959 174.900 -0.253 0.000 1.000 235 G CA -0.312 44.601 45.100 -0.311 0.000 0.664 235 G HN 0.435 nan 8.290 nan 0.000 0.513 236 Y N -0.966 118.865 120.300 -0.782 0.000 3.929 236 Y HA -0.258 4.292 4.550 -0.000 0.000 0.225 236 Y C 1.198 176.333 175.900 -1.276 0.000 1.200 236 Y CA 1.869 59.247 58.100 -1.204 0.000 1.791 236 Y CB -2.395 35.818 38.460 -0.412 0.000 1.561 236 Y HN 1.227 nan 8.280 nan 0.000 0.657 237 T N -5.475 108.381 114.554 -1.164 0.000 2.883 237 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 237 T C 0.277 174.576 174.700 -0.667 0.000 1.117 237 T CA -0.407 61.266 62.100 -0.712 0.000 1.006 237 T CB 1.539 70.245 68.868 -0.270 0.000 1.191 237 T HN 0.054 nan 8.240 nan 0.000 0.508 238 Y N 1.272 121.454 120.300 -0.197 0.000 2.145 238 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 238 Y C 2.664 178.480 175.900 -0.141 0.000 1.145 238 Y CA 2.224 60.306 58.100 -0.029 0.000 1.148 238 Y CB -0.410 38.059 38.460 0.015 0.000 0.981 238 Y HN 0.747 nan 8.280 nan 0.000 0.507 239 Q N 0.333 119.962 119.800 -0.286 0.000 2.084 239 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 239 Q C 2.500 178.268 176.000 -0.387 0.000 0.978 239 Q CA 2.042 57.610 55.803 -0.391 0.000 0.844 239 Q CB -1.148 27.471 28.738 -0.200 0.000 0.898 239 Q HN 0.568 nan 8.270 nan 0.000 0.426 240 G N -0.456 108.146 108.800 -0.330 0.000 2.469 240 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 240 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 240 G C 1.618 176.306 174.900 -0.354 0.000 1.150 240 G CA 1.117 46.017 45.100 -0.335 0.000 0.763 240 G HN 0.499 nan 8.290 nan 0.000 0.561 241 C N 0.389 119.502 119.300 -0.312 0.000 2.432 241 C HA 0.000 4.460 4.460 -0.000 0.000 0.277 241 C C 2.991 177.852 174.990 -0.214 0.000 1.249 241 C CA 0.994 59.929 59.018 -0.137 0.000 1.725 241 C CB -0.650 27.192 27.740 0.171 0.000 2.028 241 C HN 0.378 nan 8.230 nan 0.000 0.477 242 M N 0.828 120.186 119.600 -0.403 0.000 2.117 242 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 242 M C 1.659 177.688 176.300 -0.452 0.000 1.065 242 M CA 1.686 56.724 55.300 -0.437 0.000 1.114 242 M CB -1.625 30.578 32.600 -0.662 0.000 1.361 242 M HN 0.350 nan 8.290 nan 0.000 0.408 243 D N -0.211 119.884 120.400 -0.509 0.000 2.097 243 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 243 D C 2.177 178.029 176.300 -0.747 0.000 0.989 243 D CA 1.258 54.879 54.000 -0.631 0.000 0.827 243 D CB -0.268 40.122 40.800 -0.684 0.000 0.966 243 D HN 0.353 nan 8.370 nan 0.000 0.456 244 C N -0.125 118.763 119.300 -0.686 0.000 2.492 244 C HA 0.126 4.586 4.460 -0.000 0.000 0.279 244 C C 2.737 177.472 174.990 -0.425 0.000 1.335 244 C CA -0.044 58.593 59.018 -0.635 0.000 1.734 244 C CB -0.760 26.684 27.740 -0.493 0.000 2.027 244 C HN 0.326 nan 8.230 nan 0.000 0.496 245 L N 0.320 121.368 121.223 -0.291 0.000 2.162 245 L HA 0.103 4.443 4.340 -0.000 0.000 0.205 245 L C 1.480 178.188 176.870 -0.270 0.000 1.086 245 L CA 1.215 55.965 54.840 -0.149 0.000 0.778 245 L CB -0.327 41.718 42.059 -0.023 0.000 0.928 245 L HN 0.424 nan 8.230 nan 0.000 0.446 246 M N -4.081 115.167 119.600 -0.587 0.000 4.590 246 M HA 0.351 4.831 4.480 -0.000 0.000 0.545 246 M C -0.112 175.449 176.300 -1.231 0.000 2.120 246 M CA -0.099 54.327 55.300 -1.456 0.000 0.513 246 M CB 0.823 32.276 32.600 -1.911 0.000 1.450 246 M HN -0.251 nan 8.290 nan 0.000 0.599 247 S N -0.260 114.952 115.700 -0.813 0.000 2.502 247 S HA 0.309 4.779 4.470 -0.000 0.000 0.228 247 S C -0.513 173.727 174.600 -0.600 0.000 1.061 247 S CA 0.518 58.245 58.200 -0.789 0.000 0.935 247 S CB 0.293 62.738 63.200 -1.257 0.000 0.809 247 S HN 0.605 nan 8.310 nan 0.000 0.510 248 Y N 2.439 122.818 120.300 0.133 0.000 2.361 248 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 248 Y C -0.079 175.944 175.900 0.205 0.000 0.965 248 Y CA -1.732 56.459 58.100 0.151 0.000 1.091 248 Y CB 1.082 39.549 38.460 0.012 0.000 1.182 248 Y HN 0.015 nan 8.280 nan 0.000 0.450 249 K N 1.390 121.933 120.400 0.239 0.000 2.480 249 K HA 0.623 4.943 4.320 -0.000 0.000 0.258 249 K C -1.685 174.853 176.600 -0.102 0.000 0.990 249 K CA -0.819 55.442 56.287 -0.043 0.000 0.857 249 K CB 1.558 34.014 32.500 -0.073 0.000 1.384 249 K HN 0.319 nan 8.250 nan 0.000 0.446 250 F N 2.678 122.610 119.950 -0.029 0.000 2.471 250 F HA 0.140 4.667 4.527 -0.000 0.000 0.365 250 F C 1.838 177.597 175.800 -0.068 0.000 1.095 250 F CA -0.168 57.802 58.000 -0.050 0.000 1.174 250 F CB 1.239 40.202 39.000 -0.062 0.000 1.105 250 F HN 0.725 nan 8.300 nan 0.000 0.535 251 K N 1.328 121.805 120.400 0.129 0.000 2.280 251 K HA -0.173 4.147 4.320 -0.000 0.000 0.202 251 K C 0.248 176.836 176.600 -0.021 0.000 1.047 251 K CA 1.823 58.127 56.287 0.028 0.000 0.942 251 K CB 0.049 32.565 32.500 0.027 0.000 0.739 251 K HN 0.484 nan 8.250 nan 0.000 0.457 252 D N 0.503 120.917 120.400 0.023 0.000 2.369 252 D HA 0.162 4.802 4.640 -0.000 0.000 0.211 252 D C 0.300 176.574 176.300 -0.044 0.000 1.077 252 D CA 0.899 54.880 54.000 -0.033 0.000 0.842 252 D CB 0.849 41.631 40.800 -0.030 0.000 0.947 252 D HN 0.476 nan 8.370 nan 0.000 0.509 253 G N 1.263 110.072 108.800 0.014 0.000 2.719 253 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 253 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 253 G C 0.531 175.461 174.900 0.051 0.000 1.201 253 G CA -0.646 44.464 45.100 0.016 0.000 0.768 253 G HN -0.090 nan 8.290 nan 0.000 0.629 254 Q N 0.141 120.039 119.800 0.163 0.000 2.197 254 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 254 Q C 2.855 178.968 176.000 0.188 0.000 0.984 254 Q CA 2.034 57.988 55.803 0.251 0.000 0.869 254 Q CB -0.290 28.684 28.738 0.393 0.000 0.906 254 Q HN 0.622 nan 8.270 nan 0.000 0.426 255 S N 0.407 116.173 115.700 0.110 0.000 2.428 255 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 255 S C 1.907 176.507 174.600 0.001 0.000 1.014 255 S CA 0.737 58.975 58.200 0.064 0.000 0.957 255 S CB -0.036 63.204 63.200 0.066 0.000 0.784 255 S HN 0.497 nan 8.310 nan 0.000 0.499 256 A N 0.671 123.470 122.820 -0.034 0.000 1.969 256 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 256 A C 1.816 179.357 177.584 -0.072 0.000 1.169 256 A CA 1.084 53.078 52.037 -0.071 0.000 0.635 256 A CB -0.641 18.305 19.000 -0.090 0.000 0.810 256 A HN 0.506 nan 8.150 nan 0.000 0.445 257 F N 1.023 120.782 119.950 -0.319 0.000 2.098 257 F HA 0.045 4.572 4.527 -0.000 0.000 0.294 257 F C 2.533 178.399 175.800 0.109 0.000 1.107 257 F CA 0.885 58.707 58.000 -0.297 0.000 1.234 257 F CB -0.825 37.763 39.000 -0.686 0.000 1.002 257 F HN 0.235 nan 8.300 nan 0.000 0.472 258 A N 0.998 123.916 122.820 0.163 0.000 1.917 258 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 258 A C 2.346 179.962 177.584 0.053 0.000 1.182 258 A CA 1.587 53.673 52.037 0.082 0.000 0.633 258 A CB -0.745 18.178 19.000 -0.129 0.000 0.819 258 A HN 0.340 nan 8.150 nan 0.000 0.448 259 R N -0.554 119.937 120.500 -0.016 0.000 2.139 259 R HA -0.113 4.227 4.340 -0.000 0.000 0.243 259 R C 2.136 178.416 176.300 -0.034 0.000 1.145 259 R CA 1.203 57.299 56.100 -0.008 0.000 0.976 259 R CB -0.487 29.782 30.300 -0.052 0.000 0.866 259 R HN 0.490 nan 8.270 nan 0.000 0.449 260 R N -0.487 119.869 120.500 -0.239 0.000 2.092 260 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 260 R C 2.324 178.258 176.300 -0.608 0.000 1.119 260 R CA 1.023 56.736 56.100 -0.645 0.000 0.970 260 R CB -0.813 28.661 30.300 -1.376 0.000 0.864 260 R HN 0.257 nan 8.270 nan 0.000 0.440 261 F N -0.259 119.461 119.950 -0.383 0.000 2.134 261 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 261 F C 2.548 178.354 175.800 0.011 0.000 1.097 261 F CA 0.976 58.939 58.000 -0.060 0.000 1.264 261 F CB -0.461 38.547 39.000 0.013 0.000 1.001 261 F HN 0.153 nan 8.300 nan 0.000 0.479 262 W N 1.721 123.042 121.300 0.035 0.000 2.333 262 W HA -0.208 4.452 4.660 -0.000 0.000 0.316 262 W C 2.098 178.593 176.519 -0.040 0.000 1.215 262 W CA 1.727 59.055 57.345 -0.028 0.000 1.278 262 W CB -0.213 29.192 29.460 -0.092 0.000 1.154 262 W HN 0.003 nan 8.180 nan 0.000 0.486 263 E N 0.357 120.573 120.200 0.028 0.000 2.085 263 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 263 E C 1.806 178.346 176.600 -0.100 0.000 0.994 263 E CA 1.734 58.098 56.400 -0.060 0.000 0.801 263 E CB -0.830 28.853 29.700 -0.028 0.000 0.743 263 E HN 0.545 nan 8.360 nan 0.000 0.453 264 E N 0.371 120.531 120.200 -0.067 0.000 2.077 264 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 264 E C 1.943 178.510 176.600 -0.056 0.000 0.989 264 E CA 1.047 57.437 56.400 -0.017 0.000 0.800 264 E CB 0.016 29.764 29.700 0.081 0.000 0.746 264 E HN 0.195 nan 8.360 nan 0.000 0.452 265 A N 1.085 123.836 122.820 -0.115 0.000 1.872 265 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 265 A C 2.391 179.831 177.584 -0.240 0.000 1.187 265 A CA 1.566 53.501 52.037 -0.171 0.000 0.614 265 A CB -0.735 18.129 19.000 -0.227 0.000 0.826 265 A HN 0.393 nan 8.150 nan 0.000 0.442 266 A N -0.341 122.245 122.820 -0.390 0.000 1.908 266 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 266 A C 2.370 179.884 177.584 -0.117 0.000 1.181 266 A CA 1.913 53.774 52.037 -0.293 0.000 0.627 266 A CB -1.421 17.372 19.000 -0.344 0.000 0.818 266 A HN 0.815 nan 8.150 nan 0.000 0.445 267 G N -0.656 108.086 108.800 -0.096 0.000 2.498 267 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 267 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 267 G C 1.582 176.465 174.900 -0.028 0.000 1.119 267 G CA 1.864 46.938 45.100 -0.044 0.000 0.766 267 G HN 0.725 nan 8.290 nan 0.000 0.552 268 T N -2.770 111.765 114.554 -0.033 0.000 3.023 268 T HA 0.292 4.642 4.350 -0.000 0.000 0.266 268 T C 2.124 176.821 174.700 -0.005 0.000 1.093 268 T CA 1.050 63.142 62.100 -0.014 0.000 1.129 268 T CB -0.175 68.689 68.868 -0.005 0.000 0.899 268 T HN 1.299 nan 8.240 nan 0.000 0.491 269 G N 1.655 110.453 108.800 -0.004 0.000 2.184 269 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.264 269 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.264 269 G C 0.871 175.788 174.900 0.028 0.000 0.975 269 G CA 0.323 45.430 45.100 0.011 0.000 0.642 269 G HN 0.583 nan 8.290 nan 0.000 0.536 270 R N -0.996 119.526 120.500 0.036 0.000 2.468 270 R HA 0.377 4.716 4.340 -0.000 0.000 0.280 270 R C 0.332 176.709 176.300 0.128 0.000 0.963 270 R CA -0.347 55.800 56.100 0.078 0.000 1.083 270 R CB 0.400 30.743 30.300 0.071 0.000 1.200 270 R HN 0.321 nan 8.270 nan 0.000 0.541 271 L N 0.817 122.091 121.223 0.085 0.000 2.264 271 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 271 L C -0.072 176.891 176.870 0.155 0.000 1.044 271 L CA -0.221 54.663 54.840 0.073 0.000 0.807 271 L CB 1.342 43.361 42.059 -0.065 0.000 1.192 271 L HN 0.005 nan 8.230 nan 0.000 0.425 272 G N 4.331 113.217 108.800 0.142 0.000 2.400 272 G HA2 0.569 4.529 3.960 -0.000 0.000 0.333 272 G HA3 0.569 4.529 3.960 -0.000 0.000 0.333 272 G C -1.822 173.061 174.900 -0.028 0.000 1.143 272 G CA -0.339 44.795 45.100 0.056 0.000 0.914 272 G HN 0.743 nan 8.290 nan 0.000 0.480 273 Y N -0.964 119.306 120.300 -0.051 0.000 2.519 273 Y HA 0.647 5.197 4.550 -0.000 0.000 0.336 273 Y C -1.287 174.575 175.900 -0.062 0.000 1.089 273 Y CA -1.711 56.346 58.100 -0.071 0.000 1.025 273 Y CB 1.337 39.933 38.460 0.226 0.000 1.318 273 Y HN 0.455 nan 8.280 nan 0.000 0.452 274 V N 4.122 123.989 119.914 -0.078 0.000 2.482 274 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 274 V C -0.782 175.186 176.094 -0.210 0.000 1.026 274 V CA -0.770 61.496 62.300 -0.057 0.000 0.856 274 V CB 0.944 32.684 31.823 -0.138 0.000 1.001 274 V HN 0.748 nan 8.190 nan 0.000 0.424 275 F N 1.539 121.514 119.950 0.043 0.000 2.408 275 F HA 0.710 5.237 4.527 -0.000 0.000 0.325 275 F C 1.400 177.165 175.800 -0.059 0.000 1.082 275 F CA 0.439 58.407 58.000 -0.053 0.000 1.032 275 F CB 1.545 40.491 39.000 -0.090 0.000 1.259 275 F HN 0.757 nan 8.300 nan 0.000 0.503 276 G N 0.363 109.212 108.800 0.082 0.000 2.221 276 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.265 276 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.265 276 G C -0.369 174.525 174.900 -0.009 0.000 1.041 276 G CA 0.063 45.175 45.100 0.020 0.000 0.807 276 G HN 0.868 nan 8.290 nan 0.000 0.502 277 C N 1.752 121.006 119.300 -0.077 0.000 2.787 277 C HA 0.610 5.070 4.460 -0.000 0.000 0.265 277 C C -1.919 173.005 174.990 -0.110 0.000 1.190 277 C CA -2.381 56.599 59.018 -0.063 0.000 1.616 277 C CB -0.132 27.559 27.740 -0.083 0.000 1.732 277 C HN 0.367 nan 8.230 nan 0.000 0.433 278 P HA 0.149 nan 4.420 nan 0.000 0.267 278 P C -0.116 177.188 177.300 0.006 0.000 1.205 278 P CA 0.397 63.458 63.100 -0.065 0.000 0.765 278 P CB 0.652 32.419 31.700 0.112 0.000 0.828 279 V N 4.760 124.669 119.914 -0.008 0.000 2.785 279 V HA 0.278 4.398 4.120 -0.000 0.000 0.300 279 V C 1.819 177.928 176.094 0.025 0.000 1.062 279 V CA 0.005 62.311 62.300 0.010 0.000 1.029 279 V CB 1.316 33.128 31.823 -0.018 0.000 1.024 279 V HN 0.661 nan 8.190 nan 0.000 0.477 280 R N 1.369 121.870 120.500 0.000 0.000 2.435 280 R HA 0.242 4.582 4.340 -0.000 0.000 0.221 280 R C 0.133 176.375 176.300 -0.098 0.000 0.885 280 R CA 0.630 56.719 56.100 -0.019 0.000 1.018 280 R CB 0.915 31.220 30.300 0.009 0.000 1.259 280 R HN 0.727 nan 8.270 nan 0.000 0.597 281 S N 0.084 115.711 115.700 -0.122 0.000 2.562 281 S HA 0.479 4.949 4.470 -0.000 0.000 0.274 281 S C -1.040 173.466 174.600 -0.157 0.000 1.160 281 S CA -0.761 57.329 58.200 -0.184 0.000 0.933 281 S CB 2.276 65.421 63.200 -0.091 0.000 1.100 281 S HN -0.042 nan 8.310 nan 0.000 0.468 282 V N 2.969 122.734 119.914 -0.248 0.000 2.409 282 V HA 0.646 4.766 4.120 -0.000 0.000 0.291 282 V C -0.623 175.509 176.094 0.062 0.000 1.020 282 V CA -0.610 61.653 62.300 -0.063 0.000 0.848 282 V CB 1.451 33.288 31.823 0.024 0.000 0.990 282 V HN 0.850 nan 8.190 nan 0.000 0.430 283 V N 4.224 124.184 119.914 0.077 0.000 2.444 283 V HA 0.370 4.490 4.120 -0.000 0.000 0.294 283 V C 0.010 176.156 176.094 0.086 0.000 1.022 283 V CA -0.858 61.498 62.300 0.093 0.000 0.850 283 V CB 1.803 33.660 31.823 0.058 0.000 0.992 283 V HN 0.903 nan 8.190 nan 0.000 0.426 284 N N 3.656 122.409 118.700 0.088 0.000 2.470 284 N HA 0.324 5.064 4.740 -0.000 0.000 0.268 284 N C -0.029 175.500 175.510 0.031 0.000 1.136 284 N CA -0.031 53.045 53.050 0.044 0.000 0.961 284 N CB 1.129 39.615 38.487 -0.002 0.000 1.067 284 N HN 0.744 nan 8.380 nan 0.000 0.468 285 E N 1.156 121.373 120.200 0.028 0.000 2.678 285 E HA 0.386 4.736 4.350 -0.000 0.000 0.204 285 E C -0.485 176.125 176.600 0.018 0.000 0.743 285 E CA -0.871 55.544 56.400 0.025 0.000 1.082 285 E CB 0.945 30.663 29.700 0.030 0.000 1.721 285 E HN 0.327 nan 8.360 nan 0.000 0.390 286 R N 1.813 122.325 120.500 0.019 0.000 2.216 286 R HA 0.108 4.448 4.340 -0.000 0.000 0.332 286 R C -1.043 175.268 176.300 0.020 0.000 1.056 286 R CA -0.077 56.033 56.100 0.016 0.000 0.901 286 R CB 0.145 30.454 30.300 0.015 0.000 1.039 286 R HN 0.436 nan 8.270 nan 0.000 0.456 287 D N 0.958 121.368 120.400 0.017 0.000 2.701 287 D HA -0.236 4.403 4.640 -0.000 0.000 0.235 287 D C -0.698 175.621 176.300 0.030 0.000 1.155 287 D CA 1.787 55.801 54.000 0.022 0.000 0.649 287 D CB -0.553 40.260 40.800 0.023 0.000 1.050 287 D HN 0.756 nan 8.370 nan 0.000 0.425 288 A N -1.440 121.398 122.820 0.030 0.000 2.522 288 A HA 0.829 5.149 4.320 -0.000 0.000 0.291 288 A C -1.610 175.998 177.584 0.040 0.000 1.039 288 A CA -0.071 51.991 52.037 0.042 0.000 0.643 288 A CB 1.140 20.169 19.000 0.049 0.000 1.310 288 A HN 0.851 nan 8.150 nan 0.000 0.436 289 A N 0.215 123.067 122.820 0.053 0.000 2.520 289 A HA 0.859 5.178 4.320 -0.000 0.000 0.298 289 A C -0.621 177.006 177.584 0.071 0.000 1.051 289 A CA -0.426 51.645 52.037 0.057 0.000 0.690 289 A CB 1.389 20.420 19.000 0.051 0.000 1.281 289 A HN 1.137 nan 8.150 nan 0.000 0.402 290 R N 1.384 121.925 120.500 0.069 0.000 2.445 290 R HA 0.669 5.009 4.340 -0.000 0.000 0.308 290 R C -1.700 174.644 176.300 0.073 0.000 0.961 290 R CA -0.330 55.814 56.100 0.073 0.000 0.862 290 R CB 1.519 31.850 30.300 0.052 0.000 1.144 290 R HN 0.507 nan 8.270 nan 0.000 0.447 291 V N 3.672 123.652 119.914 0.109 0.000 2.409 291 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 291 V C -0.533 175.659 176.094 0.163 0.000 1.020 291 V CA -0.651 61.717 62.300 0.113 0.000 0.848 291 V CB 1.906 33.791 31.823 0.104 0.000 0.990 291 V HN 0.843 nan 8.190 nan 0.000 0.430 292 T N 3.906 118.512 114.554 0.087 0.000 2.812 292 T HA 0.728 5.077 4.350 -0.000 0.000 0.282 292 T C 0.280 175.024 174.700 0.074 0.000 0.990 292 T CA -0.256 61.882 62.100 0.064 0.000 0.960 292 T CB 1.745 70.620 68.868 0.011 0.000 0.948 292 T HN 0.896 nan 8.240 nan 0.000 0.438 293 A N 2.653 125.539 122.820 0.110 0.000 2.280 293 A HA 0.416 4.736 4.320 -0.000 0.000 0.268 293 A C 1.507 179.125 177.584 0.058 0.000 1.111 293 A CA -0.423 51.674 52.037 0.101 0.000 0.814 293 A CB 0.292 19.386 19.000 0.156 0.000 1.093 293 A HN 0.917 nan 8.150 nan 0.000 0.498 294 R N -0.881 119.655 120.500 0.061 0.000 2.148 294 R HA -0.108 4.232 4.340 -0.000 0.000 0.227 294 R C 0.840 177.165 176.300 0.043 0.000 1.103 294 R CA 1.342 57.474 56.100 0.054 0.000 0.983 294 R CB -0.212 30.131 30.300 0.073 0.000 0.874 294 R HN 0.789 nan 8.270 nan 0.000 0.451 295 D N -0.791 119.637 120.400 0.046 0.000 2.158 295 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 295 D C 1.420 177.727 176.300 0.012 0.000 0.995 295 D CA 1.928 55.947 54.000 0.033 0.000 0.846 295 D CB -0.074 40.751 40.800 0.041 0.000 0.941 295 D HN 0.473 nan 8.370 nan 0.000 0.456 296 G N -0.458 108.346 108.800 0.006 0.000 2.232 296 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.226 296 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.226 296 G C 0.564 175.432 174.900 -0.054 0.000 0.996 296 G CA 0.140 45.230 45.100 -0.017 0.000 0.626 296 G HN 0.409 nan 8.290 nan 0.000 0.509 297 R N 1.748 122.207 120.500 -0.068 0.000 2.583 297 R HA 0.396 4.736 4.340 -0.000 0.000 0.274 297 R C 0.202 176.315 176.300 -0.312 0.000 0.998 297 R CA 0.908 56.889 56.100 -0.199 0.000 1.081 297 R CB 0.159 30.375 30.300 -0.140 0.000 0.940 297 R HN 0.545 nan 8.270 nan 0.000 0.413 298 E N 2.799 122.686 120.200 -0.522 0.000 2.277 298 E HA 0.416 4.766 4.350 -0.000 0.000 0.266 298 E C -1.183 174.980 176.600 -0.729 0.000 0.901 298 E CA -0.692 55.465 56.400 -0.405 0.000 0.782 298 E CB 1.757 31.348 29.700 -0.181 0.000 1.228 298 E HN 0.290 nan 8.360 nan 0.000 0.424 299 F N 0.055 120.019 119.950 0.024 0.000 2.596 299 F HA 0.374 4.901 4.527 -0.000 0.000 0.311 299 F C -0.702 175.134 175.800 0.059 0.000 1.116 299 F CA -0.938 57.090 58.000 0.047 0.000 0.957 299 F CB 1.621 40.603 39.000 -0.028 0.000 1.250 299 F HN 0.097 nan 8.300 nan 0.000 0.444 300 V N 1.817 121.913 119.914 0.303 0.000 2.735 300 V HA 0.994 5.114 4.120 -0.000 0.000 0.310 300 V C -0.529 175.722 176.094 0.262 0.000 1.061 300 V CA -0.838 61.590 62.300 0.214 0.000 0.913 300 V CB 1.595 33.506 31.823 0.147 0.000 1.005 300 V HN 1.049 nan 8.190 nan 0.000 0.428 301 A N 2.792 125.720 122.820 0.181 0.000 2.608 301 A HA 0.627 4.947 4.320 -0.000 0.000 0.292 301 A C 0.072 177.723 177.584 0.112 0.000 1.066 301 A CA -0.630 51.518 52.037 0.185 0.000 0.676 301 A CB 1.498 20.603 19.000 0.175 0.000 1.277 301 A HN 0.708 nan 8.150 nan 0.000 0.413 302 K N -0.162 120.300 120.400 0.104 0.000 2.296 302 K HA 0.054 4.374 4.320 -0.000 0.000 0.200 302 K C 0.297 176.919 176.600 0.038 0.000 1.048 302 K CA 0.817 57.145 56.287 0.068 0.000 0.966 302 K CB 0.061 32.606 32.500 0.075 0.000 0.754 302 K HN 0.454 nan 8.250 nan 0.000 0.466 303 R N 0.409 120.919 120.500 0.016 0.000 2.807 303 R HA 0.441 4.781 4.340 -0.000 0.000 0.276 303 R C -1.006 175.281 176.300 -0.022 0.000 0.979 303 R CA -0.804 55.285 56.100 -0.018 0.000 0.928 303 R CB 2.070 32.335 30.300 -0.059 0.000 1.191 303 R HN -0.232 nan 8.270 nan 0.000 0.471 304 V N 1.937 121.829 119.914 -0.037 0.000 2.483 304 V HA 0.299 4.419 4.120 -0.000 0.000 0.297 304 V C -0.316 175.729 176.094 -0.082 0.000 1.027 304 V CA -0.876 61.394 62.300 -0.051 0.000 0.855 304 V CB 2.268 34.077 31.823 -0.024 0.000 0.995 304 V HN 0.411 nan 8.190 nan 0.000 0.424 305 V N 4.313 124.180 119.914 -0.077 0.000 2.348 305 V HA 0.230 4.350 4.120 -0.000 0.000 0.270 305 V C 0.218 176.284 176.094 -0.048 0.000 1.037 305 V CA -0.327 61.933 62.300 -0.066 0.000 0.872 305 V CB 1.173 32.968 31.823 -0.046 0.000 1.002 305 V HN 0.993 nan 8.190 nan 0.000 0.464 306 C N 5.440 124.704 119.300 -0.060 0.000 2.265 306 C HA 0.545 5.005 4.460 -0.000 0.000 0.332 306 C C 1.509 176.607 174.990 0.181 0.000 1.248 306 C CA 0.179 59.221 59.018 0.041 0.000 1.727 306 C CB 0.168 27.906 27.740 -0.003 0.000 2.348 306 C HN 1.007 nan 8.230 nan 0.000 0.519 307 T N 3.440 118.083 114.554 0.148 0.000 3.182 307 T HA 0.319 4.669 4.350 -0.000 0.000 0.277 307 T C 0.341 175.137 174.700 0.160 0.000 1.013 307 T CA -0.203 61.978 62.100 0.135 0.000 0.900 307 T CB -0.454 68.432 68.868 0.029 0.000 1.098 307 T HN 0.626 nan 8.240 nan 0.000 0.543 308 I N 3.062 123.786 120.570 0.257 0.000 2.710 308 I HA 0.183 4.353 4.170 -0.000 0.000 0.286 308 I C -2.058 174.247 176.117 0.314 0.000 1.181 308 I CA -2.023 59.440 61.300 0.271 0.000 1.430 308 I CB 0.516 38.706 38.000 0.317 0.000 1.367 308 I HN 0.077 nan 8.210 nan 0.000 0.577 309 P HA -0.045 nan 4.420 nan 0.000 0.269 309 P C 0.561 178.081 177.300 0.367 0.000 1.209 309 P CA -0.308 62.951 63.100 0.266 0.000 0.776 309 P CB 0.603 32.458 31.700 0.258 0.000 0.876 310 L N 3.445 124.949 121.223 0.469 0.000 2.034 310 L HA -0.279 4.061 4.340 -0.000 0.000 0.217 310 L C 1.332 178.375 176.870 0.287 0.000 1.077 310 L CA 2.222 57.344 54.840 0.470 0.000 0.769 310 L CB -1.055 41.348 42.059 0.573 0.000 0.890 310 L HN 0.312 nan 8.230 nan 0.000 0.435 311 N N -1.507 117.340 118.700 0.246 0.000 2.521 311 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 311 N C 1.074 176.657 175.510 0.121 0.000 1.146 311 N CA 0.899 54.012 53.050 0.106 0.000 0.893 311 N CB 0.288 38.759 38.487 -0.026 0.000 0.975 311 N HN 0.342 nan 8.380 nan 0.000 0.451 312 V N -0.600 119.425 119.914 0.185 0.000 3.612 312 V HA 0.161 4.281 4.120 -0.000 0.000 0.268 312 V C 1.865 178.080 176.094 0.201 0.000 1.365 312 V CA 0.067 62.480 62.300 0.188 0.000 1.044 312 V CB 0.229 32.200 31.823 0.246 0.000 0.820 312 V HN 0.161 nan 8.190 nan 0.000 0.444 313 L N 1.373 122.729 121.223 0.222 0.000 2.187 313 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 313 L C 2.710 179.711 176.870 0.217 0.000 1.100 313 L CA 1.924 56.919 54.840 0.258 0.000 0.765 313 L CB -0.367 41.819 42.059 0.213 0.000 0.904 313 L HN 0.605 nan 8.230 nan 0.000 0.437 314 S N -1.405 114.380 115.700 0.141 0.000 2.442 314 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 314 S C 1.932 176.591 174.600 0.099 0.000 1.007 314 S CA 1.339 59.603 58.200 0.106 0.000 0.965 314 S CB -0.807 62.432 63.200 0.065 0.000 0.773 314 S HN 0.588 nan 8.310 nan 0.000 0.504 315 T N -0.235 114.380 114.554 0.102 0.000 3.113 315 T HA 0.261 4.611 4.350 -0.000 0.000 0.263 315 T C 0.677 175.414 174.700 0.062 0.000 1.143 315 T CA -0.044 62.103 62.100 0.079 0.000 1.090 315 T CB -0.575 68.344 68.868 0.086 0.000 0.922 315 T HN 0.329 nan 8.240 nan 0.000 0.521 316 I N 1.396 122.007 120.570 0.069 0.000 2.460 316 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 316 I C -0.131 175.916 176.117 -0.117 0.000 0.989 316 I CA -1.081 60.182 61.300 -0.062 0.000 1.173 316 I CB 1.468 39.395 38.000 -0.122 0.000 1.338 316 I HN 0.144 nan 8.210 nan 0.000 0.456 317 Q N 3.915 123.583 119.800 -0.221 0.000 2.257 317 Q HA 0.559 4.899 4.340 -0.000 0.000 0.255 317 Q C -1.807 174.006 176.000 -0.311 0.000 0.920 317 Q CA -0.009 55.712 55.803 -0.136 0.000 0.927 317 Q CB 1.197 29.901 28.738 -0.056 0.000 1.229 317 Q HN 0.370 nan 8.270 nan 0.000 0.433 318 F N 0.889 120.900 119.950 0.102 0.000 2.532 318 F HA 0.580 5.107 4.527 -0.000 0.000 0.321 318 F C -0.179 175.710 175.800 0.148 0.000 1.089 318 F CA -0.626 57.462 58.000 0.146 0.000 0.926 318 F CB 2.546 41.652 39.000 0.177 0.000 1.168 318 F HN 0.370 nan 8.300 nan 0.000 0.459 319 S N 3.990 119.904 115.700 0.356 0.000 2.561 319 S HA 0.541 5.010 4.470 -0.000 0.000 0.303 319 S C -2.510 172.222 174.600 0.220 0.000 1.110 319 S CA -1.203 57.139 58.200 0.235 0.000 1.034 319 S CB 2.019 65.299 63.200 0.133 0.000 1.010 319 S HN 0.286 nan 8.310 nan 0.000 0.482 320 P HA 0.380 nan 4.420 nan 0.000 0.297 320 P C -0.571 176.899 177.300 0.283 0.000 1.303 320 P CA -0.570 62.634 63.100 0.173 0.000 0.753 320 P CB 0.295 32.052 31.700 0.095 0.000 1.281 321 A N -0.348 122.592 122.820 0.199 0.000 2.466 321 A HA 0.272 4.592 4.320 -0.000 0.000 0.238 321 A C 0.627 178.302 177.584 0.152 0.000 1.074 321 A CA -0.212 51.925 52.037 0.166 0.000 0.774 321 A CB -0.965 18.093 19.000 0.098 0.000 1.015 321 A HN 0.437 nan 8.150 nan 0.000 0.498 322 L N 1.469 122.696 121.223 0.008 0.000 2.466 322 L HA 0.287 4.627 4.340 -0.000 0.000 0.257 322 L C 1.376 178.189 176.870 -0.096 0.000 1.189 322 L CA -0.266 54.468 54.840 -0.177 0.000 0.813 322 L CB 0.588 42.441 42.059 -0.343 0.000 1.118 322 L HN 0.940 nan 8.230 nan 0.000 0.471 323 S N -0.768 114.852 115.700 -0.134 0.000 2.608 323 S HA 0.045 4.515 4.470 -0.000 0.000 0.261 323 S C 1.035 175.584 174.600 -0.086 0.000 1.314 323 S CA -0.262 57.889 58.200 -0.081 0.000 0.992 323 S CB 1.059 64.207 63.200 -0.088 0.000 0.935 323 S HN 0.635 nan 8.310 nan 0.000 0.564 324 T N 1.573 116.095 114.554 -0.054 0.000 2.803 324 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 324 T C 1.430 176.093 174.700 -0.062 0.000 1.052 324 T CA 2.082 64.155 62.100 -0.046 0.000 1.136 324 T CB -0.506 68.346 68.868 -0.027 0.000 0.864 324 T HN 0.742 nan 8.240 nan 0.000 0.467 325 E N 0.564 120.716 120.200 -0.079 0.000 2.112 325 E HA 0.083 4.433 4.350 -0.000 0.000 0.190 325 E C 2.322 178.843 176.600 -0.131 0.000 0.979 325 E CA 0.558 56.908 56.400 -0.084 0.000 0.814 325 E CB -0.110 29.545 29.700 -0.076 0.000 0.762 325 E HN 0.299 nan 8.360 nan 0.000 0.460 326 R N 0.260 120.639 120.500 -0.202 0.000 2.075 326 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 326 R C 1.997 178.175 176.300 -0.204 0.000 1.126 326 R CA 0.932 56.855 56.100 -0.296 0.000 0.963 326 R CB -0.102 29.925 30.300 -0.455 0.000 0.858 326 R HN 0.142 nan 8.270 nan 0.000 0.435 327 I N 0.310 120.796 120.570 -0.141 0.000 2.099 327 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 327 I C 2.166 178.252 176.117 -0.051 0.000 1.066 327 I CA 1.423 62.675 61.300 -0.079 0.000 1.324 327 I CB -1.259 36.711 38.000 -0.050 0.000 1.037 327 I HN 0.144 nan 8.210 nan 0.000 0.401 328 S N 1.077 116.750 115.700 -0.045 0.000 2.369 328 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 328 S C 2.239 176.833 174.600 -0.009 0.000 1.043 328 S CA 1.900 60.087 58.200 -0.021 0.000 1.074 328 S CB -0.522 62.668 63.200 -0.016 0.000 0.962 328 S HN 0.591 nan 8.310 nan 0.000 0.433 329 A N 2.056 124.868 122.820 -0.014 0.000 1.877 329 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 329 A C 2.237 179.844 177.584 0.038 0.000 1.186 329 A CA 1.995 54.049 52.037 0.028 0.000 0.620 329 A CB -0.749 18.265 19.000 0.025 0.000 0.822 329 A HN 0.715 nan 8.150 nan 0.000 0.443 330 M N -2.151 117.449 119.600 -0.000 0.000 2.419 330 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 330 M C 1.643 177.955 176.300 0.020 0.000 1.082 330 M CA 1.482 56.795 55.300 0.023 0.000 1.119 330 M CB -0.209 32.392 32.600 0.001 0.000 1.398 330 M HN 0.205 nan 8.290 nan 0.000 0.453 331 Q N 1.129 120.932 119.800 0.006 0.000 2.096 331 Q HA 0.088 4.428 4.340 -0.000 0.000 0.197 331 Q C 2.379 178.378 176.000 -0.001 0.000 0.964 331 Q CA 1.953 57.758 55.803 0.003 0.000 0.838 331 Q CB -0.350 28.388 28.738 -0.001 0.000 0.906 331 Q HN 0.730 nan 8.270 nan 0.000 0.444 332 A N 0.218 123.038 122.820 0.002 0.000 1.855 332 A HA 0.306 4.625 4.320 -0.000 0.000 0.213 332 A C 1.039 178.611 177.584 -0.021 0.000 1.195 332 A CA 1.452 53.485 52.037 -0.006 0.000 0.610 332 A CB -0.733 18.269 19.000 0.003 0.000 0.837 332 A HN 0.420 nan 8.150 nan 0.000 0.444 333 G N -1.231 107.568 108.800 -0.002 0.000 2.733 333 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 333 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 333 G C -0.254 174.610 174.900 -0.061 0.000 1.373 333 G CA 0.032 45.108 45.100 -0.039 0.000 0.838 333 G HN 1.850 nan 8.290 nan 0.000 0.588 334 H N -1.305 117.752 119.070 -0.022 0.000 2.603 334 H HA 0.569 5.125 4.556 -0.000 0.000 0.370 334 H C 1.675 176.908 175.328 -0.158 0.000 1.225 334 H CA 0.109 56.041 56.048 -0.194 0.000 1.410 334 H CB 1.002 30.526 29.762 -0.397 0.000 1.495 334 H HN 1.431 nan 8.280 nan 0.000 0.602 335 V N -1.310 118.630 119.914 0.044 0.000 3.608 335 V HA 0.133 4.253 4.120 -0.000 0.000 0.269 335 V C 0.933 176.990 176.094 -0.062 0.000 1.245 335 V CA 0.376 62.648 62.300 -0.046 0.000 1.138 335 V CB -0.427 31.354 31.823 -0.071 0.000 0.841 335 V HN 0.705 nan 8.190 nan 0.000 0.451 336 S N 2.132 117.859 115.700 0.044 0.000 2.414 336 S HA 0.366 4.836 4.470 -0.000 0.000 0.290 336 S C 0.469 174.950 174.600 -0.198 0.000 1.160 336 S CA -0.331 57.707 58.200 -0.270 0.000 1.069 336 S CB 0.058 62.768 63.200 -0.817 0.000 1.012 336 S HN 0.435 nan 8.310 nan 0.000 0.510 337 M N 4.374 123.875 119.600 -0.167 0.000 2.771 337 M HA 0.196 4.676 4.480 -0.000 0.000 0.341 337 M C 0.428 176.795 176.300 0.112 0.000 1.226 337 M CA -0.527 54.737 55.300 -0.059 0.000 0.955 337 M CB -1.048 31.421 32.600 -0.218 0.000 1.318 337 M HN 0.687 nan 8.290 nan 0.000 0.514 338 C N 2.422 121.703 119.300 -0.032 0.000 2.590 338 C HA 0.208 4.668 4.460 -0.000 0.000 0.411 338 C C 0.820 175.980 174.990 0.284 0.000 1.420 338 C CA 0.711 59.804 59.018 0.124 0.000 1.643 338 C CB -0.463 27.306 27.740 0.048 0.000 2.528 338 C HN 0.577 nan 8.230 nan 0.000 0.606 339 T N 6.439 121.141 114.554 0.246 0.000 2.799 339 T HA 0.363 4.713 4.350 -0.000 0.000 0.286 339 T C -0.432 174.379 174.700 0.184 0.000 0.973 339 T CA -0.212 61.978 62.100 0.151 0.000 1.035 339 T CB 0.803 69.616 68.868 -0.091 0.000 0.932 339 T HN 0.793 nan 8.240 nan 0.000 0.469 340 K N 3.012 123.507 120.400 0.158 0.000 2.502 340 K HA 0.626 4.946 4.320 -0.000 0.000 0.254 340 K C -1.767 174.781 176.600 -0.086 0.000 0.947 340 K CA -0.595 55.669 56.287 -0.040 0.000 0.834 340 K CB 1.135 33.709 32.500 0.123 0.000 1.112 340 K HN 0.363 nan 8.250 nan 0.000 0.427 341 V N 4.886 124.675 119.914 -0.209 0.000 2.525 341 V HA 0.302 4.422 4.120 -0.000 0.000 0.299 341 V C -0.711 175.322 176.094 -0.101 0.000 1.034 341 V CA -0.903 61.365 62.300 -0.053 0.000 0.863 341 V CB 1.590 33.369 31.823 -0.074 0.000 0.999 341 V HN 0.797 nan 8.190 nan 0.000 0.423 342 H N 3.288 122.484 119.070 0.210 0.000 2.502 342 H HA 0.714 5.270 4.556 -0.000 0.000 0.327 342 H C 0.004 175.471 175.328 0.232 0.000 1.099 342 H CA -0.219 56.003 56.048 0.290 0.000 1.323 342 H CB 2.102 32.135 29.762 0.452 0.000 1.450 342 H HN 0.745 nan 8.280 nan 0.000 0.502 343 A N 3.319 126.334 122.820 0.325 0.000 2.332 343 A HA 0.206 4.526 4.320 -0.000 0.000 0.300 343 A C 0.033 177.753 177.584 0.228 0.000 1.153 343 A CA -0.746 51.427 52.037 0.226 0.000 0.764 343 A CB 0.900 19.969 19.000 0.115 0.000 1.174 343 A HN 0.800 nan 8.150 nan 0.000 0.467 344 E N 2.142 122.475 120.200 0.221 0.000 2.180 344 E HA 0.403 4.753 4.350 -0.000 0.000 0.283 344 E C -0.123 176.528 176.600 0.085 0.000 1.061 344 E CA -0.261 56.228 56.400 0.149 0.000 0.861 344 E CB 0.630 30.410 29.700 0.133 0.000 1.056 344 E HN 0.659 nan 8.360 nan 0.000 0.407 345 V N 1.689 121.604 119.914 0.002 0.000 2.994 345 V HA 0.382 4.501 4.120 -0.000 0.000 0.318 345 V C 0.327 176.436 176.094 0.025 0.000 1.085 345 V CA -0.537 61.754 62.300 -0.014 0.000 0.998 345 V CB 1.853 33.475 31.823 -0.335 0.000 1.063 345 V HN 0.735 nan 8.190 nan 0.000 0.447 346 D N 0.107 120.562 120.400 0.092 0.000 2.349 346 D HA 0.043 4.683 4.640 -0.000 0.000 0.214 346 D C 0.348 176.689 176.300 0.069 0.000 1.063 346 D CA 0.107 54.155 54.000 0.079 0.000 0.847 346 D CB -0.347 40.510 40.800 0.096 0.000 0.933 346 D HN 0.512 nan 8.370 nan 0.000 0.513 347 N N 1.423 120.160 118.700 0.062 0.000 2.437 347 N HA 0.085 4.825 4.740 -0.000 0.000 0.243 347 N C 0.549 176.066 175.510 0.012 0.000 1.041 347 N CA -0.136 52.941 53.050 0.045 0.000 0.940 347 N CB 0.947 39.474 38.487 0.067 0.000 1.133 347 N HN 0.029 nan 8.380 nan 0.000 0.506 348 K N 1.470 121.886 120.400 0.027 0.000 2.211 348 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 348 K C 0.127 176.752 176.600 0.042 0.000 1.050 348 K CA 0.886 57.191 56.287 0.030 0.000 0.945 348 K CB 0.393 32.913 32.500 0.033 0.000 0.732 348 K HN 0.455 nan 8.250 nan 0.000 0.451 349 D N 0.383 120.808 120.400 0.042 0.000 2.355 349 D HA -0.002 4.638 4.640 -0.000 0.000 0.218 349 D C 1.254 177.598 176.300 0.073 0.000 1.004 349 D CA 0.704 54.736 54.000 0.054 0.000 0.880 349 D CB 0.185 41.009 40.800 0.040 0.000 0.911 349 D HN 0.176 nan 8.370 nan 0.000 0.528 350 M N -0.257 119.377 119.600 0.058 0.000 2.561 350 M HA 0.043 4.523 4.480 -0.000 0.000 0.238 350 M C 1.737 178.146 176.300 0.182 0.000 1.131 350 M CA -0.003 55.349 55.300 0.088 0.000 1.046 350 M CB 0.379 32.914 32.600 -0.109 0.000 1.532 350 M HN -0.193 nan 8.290 nan 0.000 0.497 351 R N 1.452 122.042 120.500 0.151 0.000 2.117 351 R HA -0.123 4.217 4.340 -0.000 0.000 0.243 351 R C 1.558 178.029 176.300 0.286 0.000 1.143 351 R CA 2.154 58.363 56.100 0.181 0.000 0.968 351 R CB -0.443 29.942 30.300 0.142 0.000 0.863 351 R HN 0.336 nan 8.270 nan 0.000 0.444 352 S N -1.784 114.116 115.700 0.333 0.000 2.573 352 S HA 0.125 4.595 4.470 -0.000 0.000 0.244 352 S C -0.290 174.634 174.600 0.540 0.000 0.984 352 S CA -0.894 57.593 58.200 0.479 0.000 1.001 352 S CB -0.469 62.984 63.200 0.423 0.000 0.788 352 S HN 0.420 nan 8.310 nan 0.000 0.456 353 W N 3.051 124.520 121.300 0.282 0.000 2.438 353 W HA 0.608 5.268 4.660 -0.000 0.000 0.324 353 W C -0.446 176.299 176.519 0.375 0.000 1.119 353 W CA -0.269 57.251 57.345 0.290 0.000 1.221 353 W CB 1.441 31.009 29.460 0.180 0.000 1.253 353 W HN 0.192 nan 8.180 nan 0.000 0.555 354 T N 2.664 116.942 114.554 -0.459 0.000 2.903 354 T HA 0.835 5.185 4.350 -0.000 0.000 0.299 354 T C -0.579 173.373 174.700 -1.247 0.000 1.093 354 T CA -0.723 60.978 62.100 -0.666 0.000 1.002 354 T CB 1.518 70.398 68.868 0.021 0.000 1.127 354 T HN 0.937 nan 8.240 nan 0.000 0.488 355 G N 0.930 109.080 108.800 -1.083 0.000 2.719 355 G HA2 0.674 4.634 3.960 -0.000 0.000 0.298 355 G HA3 0.674 4.634 3.960 -0.000 0.000 0.298 355 G C -1.569 173.211 174.900 -0.200 0.000 1.411 355 G CA -0.886 43.842 45.100 -0.619 0.000 0.991 355 G HN 0.913 nan 8.290 nan 0.000 0.509 356 I N 1.008 121.535 120.570 -0.073 0.000 2.498 356 I HA 0.625 4.795 4.170 -0.000 0.000 0.290 356 I C -0.038 176.110 176.117 0.051 0.000 1.032 356 I CA -0.979 60.355 61.300 0.057 0.000 1.073 356 I CB 2.333 40.457 38.000 0.207 0.000 1.251 356 I HN 0.620 nan 8.210 nan 0.000 0.426 357 A N 6.548 129.416 122.820 0.081 0.000 2.410 357 A HA 0.706 5.026 4.320 -0.000 0.000 0.289 357 A C -1.654 175.857 177.584 -0.122 0.000 1.200 357 A CA -0.369 51.651 52.037 -0.029 0.000 0.751 357 A CB 0.712 19.631 19.000 -0.136 0.000 1.161 357 A HN 0.648 nan 8.150 nan 0.000 0.459 358 Y N 4.533 124.753 120.300 -0.135 0.000 2.436 358 Y HA 0.579 5.129 4.550 -0.000 0.000 0.327 358 Y C -2.618 173.348 175.900 0.110 0.000 1.138 358 Y CA -1.474 56.593 58.100 -0.055 0.000 1.042 358 Y CB 2.762 41.233 38.460 0.019 0.000 1.302 358 Y HN 0.424 nan 8.280 nan 0.000 0.439 359 P HA 0.094 nan 4.420 nan 0.000 0.267 359 P C 0.591 177.689 177.300 -0.337 0.000 1.289 359 P CA 0.233 62.784 63.100 -0.915 0.000 0.866 359 P CB -0.333 30.786 31.700 -0.968 0.000 1.309 360 F N -1.414 118.431 119.950 -0.176 0.000 2.780 360 F HA 0.314 4.841 4.527 -0.000 0.000 0.299 360 F C 0.268 176.041 175.800 -0.045 0.000 1.146 360 F CA -0.567 57.375 58.000 -0.096 0.000 1.428 360 F CB -0.826 38.130 39.000 -0.073 0.000 1.115 360 F HN -0.233 nan 8.300 nan 0.000 0.583 361 N N 0.706 119.003 118.700 -0.672 0.000 2.384 361 N HA 0.277 5.017 4.740 -0.000 0.000 0.301 361 N C 0.222 175.614 175.510 -0.197 0.000 1.133 361 N CA -0.735 52.045 53.050 -0.449 0.000 0.853 361 N CB 1.639 39.725 38.487 -0.668 0.000 1.241 361 N HN 0.018 nan 8.380 nan 0.000 0.502 362 K N 0.768 121.103 120.400 -0.109 0.000 2.418 362 K HA 0.224 4.544 4.320 -0.000 0.000 0.195 362 K C -0.252 176.322 176.600 -0.043 0.000 1.035 362 K CA 0.629 56.872 56.287 -0.072 0.000 1.003 362 K CB 0.156 32.603 32.500 -0.088 0.000 0.793 362 K HN 0.359 nan 8.250 nan 0.000 0.494 363 L N 0.880 122.089 121.223 -0.024 0.000 2.343 363 L HA 0.219 4.558 4.340 -0.000 0.000 0.278 363 L C 0.632 177.554 176.870 0.087 0.000 0.996 363 L CA -0.848 54.025 54.840 0.054 0.000 0.831 363 L CB 1.582 43.673 42.059 0.054 0.000 1.232 363 L HN 0.169 nan 8.230 nan 0.000 0.413 364 C N 1.264 120.672 119.300 0.180 0.000 3.183 364 C HA 0.336 4.796 4.460 -0.000 0.000 0.285 364 C C -0.006 175.172 174.990 0.314 0.000 1.313 364 C CA -0.537 58.601 59.018 0.200 0.000 1.711 364 C CB -0.835 27.057 27.740 0.254 0.000 2.135 364 C HN 0.697 nan 8.230 nan 0.000 0.651 365 Y N 1.177 121.618 120.300 0.233 0.000 2.323 365 Y HA 0.629 5.179 4.550 -0.000 0.000 0.322 365 Y C -0.604 175.517 175.900 0.368 0.000 1.133 365 Y CA -0.250 58.019 58.100 0.281 0.000 1.093 365 Y CB 0.982 39.598 38.460 0.260 0.000 1.203 365 Y HN 0.434 nan 8.280 nan 0.000 0.427 366 A N 6.157 129.123 122.820 0.245 0.000 2.498 366 A HA 0.912 5.232 4.320 -0.000 0.000 0.298 366 A C -1.594 176.124 177.584 0.224 0.000 1.075 366 A CA -0.650 51.616 52.037 0.382 0.000 0.714 366 A CB 1.389 20.713 19.000 0.539 0.000 1.299 366 A HN 0.945 nan 8.150 nan 0.000 0.407 367 I N -1.189 119.597 120.570 0.360 0.000 2.802 367 I HA 0.802 4.972 4.170 -0.000 0.000 0.298 367 I C 0.233 176.540 176.117 0.318 0.000 1.176 367 I CA -0.973 60.501 61.300 0.290 0.000 1.025 367 I CB 2.167 40.280 38.000 0.188 0.000 1.243 367 I HN 0.790 nan 8.210 nan 0.000 0.424 368 G N 2.181 111.211 108.800 0.383 0.000 2.313 368 G HA2 0.195 4.155 3.960 -0.000 0.000 0.250 368 G HA3 0.195 4.155 3.960 -0.000 0.000 0.250 368 G C -0.241 174.714 174.900 0.092 0.000 1.281 368 G CA 0.216 45.453 45.100 0.229 0.000 0.917 368 G HN 0.933 nan 8.290 nan 0.000 0.501 369 D N 0.575 121.002 120.400 0.045 0.000 2.489 369 D HA 0.319 4.959 4.640 -0.000 0.000 0.231 369 D C 1.036 177.503 176.300 0.278 0.000 1.114 369 D CA 0.982 55.047 54.000 0.108 0.000 0.842 369 D CB 0.697 41.561 40.800 0.106 0.000 1.133 369 D HN 0.786 nan 8.370 nan 0.000 0.506 370 G N -1.492 107.474 108.800 0.277 0.000 2.340 370 G HA2 0.409 4.368 3.960 -0.000 0.000 0.299 370 G HA3 0.409 4.368 3.960 -0.000 0.000 0.299 370 G C -1.406 173.577 174.900 0.139 0.000 1.291 370 G CA -0.563 44.713 45.100 0.292 0.000 0.841 370 G HN -0.086 nan 8.290 nan 0.000 0.500 371 T N 1.083 115.685 114.554 0.080 0.000 2.879 371 T HA 0.613 4.963 4.350 -0.000 0.000 0.290 371 T C 0.464 175.080 174.700 -0.139 0.000 0.993 371 T CA 0.052 62.135 62.100 -0.028 0.000 0.975 371 T CB 1.251 70.140 68.868 0.034 0.000 0.981 371 T HN 1.092 nan 8.240 nan 0.000 0.439 372 T N 1.390 115.759 114.554 -0.307 0.000 2.856 372 T HA 0.205 4.555 4.350 -0.000 0.000 0.306 372 T C -1.649 173.019 174.700 -0.053 0.000 1.062 372 T CA -1.323 60.598 62.100 -0.298 0.000 1.083 372 T CB 0.334 69.029 68.868 -0.288 0.000 0.984 372 T HN 0.129 nan 8.240 nan 0.000 0.542 373 P HA -0.064 nan 4.420 nan 0.000 0.218 373 P C 1.478 178.786 177.300 0.013 0.000 1.146 373 P CA 1.338 64.456 63.100 0.030 0.000 0.813 373 P CB -0.296 31.430 31.700 0.044 0.000 0.778 374 A N -1.040 121.781 122.820 0.001 0.000 2.121 374 A HA 0.245 4.565 4.320 -0.000 0.000 0.218 374 A C 1.763 179.348 177.584 0.001 0.000 1.154 374 A CA 1.292 53.330 52.037 0.002 0.000 0.679 374 A CB -1.299 17.702 19.000 0.002 0.000 0.795 374 A HN 0.278 nan 8.150 nan 0.000 0.458 375 G N -1.126 107.671 108.800 -0.006 0.000 2.131 375 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.223 375 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.223 375 G C -0.293 174.605 174.900 -0.002 0.000 0.990 375 G CA 0.019 45.120 45.100 0.002 0.000 0.671 375 G HN 0.519 nan 8.290 nan 0.000 0.521 376 N N 0.775 119.463 118.700 -0.020 0.000 2.473 376 N HA 0.428 5.168 4.740 -0.000 0.000 0.291 376 N C 0.155 175.645 175.510 -0.034 0.000 1.083 376 N CA -0.102 52.938 53.050 -0.017 0.000 0.951 376 N CB 1.090 39.572 38.487 -0.007 0.000 1.164 376 N HN 0.080 nan 8.380 nan 0.000 0.480 377 T N 1.228 115.773 114.554 -0.015 0.000 2.902 377 T HA -0.067 4.283 4.350 -0.000 0.000 0.301 377 T C 0.244 174.952 174.700 0.013 0.000 1.012 377 T CA 0.340 62.437 62.100 -0.005 0.000 1.151 377 T CB -0.124 68.730 68.868 -0.023 0.000 0.946 377 T HN 0.335 nan 8.240 nan 0.000 0.542 378 H N 4.416 123.443 119.070 -0.071 0.000 2.488 378 H HA 0.439 4.995 4.556 -0.000 0.000 0.322 378 H C -0.924 174.454 175.328 0.083 0.000 1.078 378 H CA -0.884 55.151 56.048 -0.022 0.000 1.260 378 H CB 0.504 30.188 29.762 -0.129 0.000 1.425 378 H HN 0.413 nan 8.280 nan 0.000 0.471 379 L N 6.000 127.108 121.223 -0.192 0.000 2.317 379 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 379 L C -0.271 176.460 176.870 -0.231 0.000 1.024 379 L CA -0.997 53.729 54.840 -0.190 0.000 0.810 379 L CB 1.990 43.958 42.059 -0.152 0.000 1.240 379 L HN 0.354 nan 8.230 nan 0.000 0.427 380 V N 3.166 122.989 119.914 -0.151 0.000 2.417 380 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 380 V C -0.597 175.467 176.094 -0.049 0.000 1.024 380 V CA -0.270 61.951 62.300 -0.131 0.000 0.861 380 V CB 1.455 33.256 31.823 -0.036 0.000 0.985 380 V HN 0.928 nan 8.190 nan 0.000 0.436 381 C N 6.649 125.826 119.300 -0.205 0.000 2.455 381 C HA 0.723 5.183 4.460 -0.000 0.000 0.320 381 C C -0.592 174.246 174.990 -0.254 0.000 1.226 381 C CA -0.967 58.024 59.018 -0.045 0.000 1.569 381 C CB 0.793 28.559 27.740 0.044 0.000 2.200 381 C HN 0.770 nan 8.230 nan 0.000 0.491 382 F N 1.044 121.138 119.950 0.240 0.000 2.520 382 F HA 0.708 5.235 4.527 -0.000 0.000 0.322 382 F C 0.710 176.615 175.800 0.174 0.000 1.103 382 F CA -0.103 58.027 58.000 0.218 0.000 0.926 382 F CB 1.894 41.047 39.000 0.254 0.000 1.154 382 F HN 0.800 nan 8.300 nan 0.000 0.453 383 G N 0.315 109.296 108.800 0.301 0.000 2.533 383 G HA2 0.660 4.620 3.960 -0.000 0.000 0.304 383 G HA3 0.660 4.620 3.960 -0.000 0.000 0.304 383 G C -1.047 173.974 174.900 0.202 0.000 1.263 383 G CA -0.722 44.489 45.100 0.184 0.000 0.964 383 G HN 0.694 nan 8.290 nan 0.000 0.479 384 T N -2.390 112.271 114.554 0.179 0.000 2.858 384 T HA 0.412 4.762 4.350 -0.000 0.000 0.285 384 T C 0.320 175.156 174.700 0.228 0.000 1.052 384 T CA -0.326 61.880 62.100 0.177 0.000 1.009 384 T CB 2.010 70.947 68.868 0.115 0.000 1.241 384 T HN 0.218 nan 8.240 nan 0.000 0.542 385 D N -0.251 120.221 120.400 0.120 0.000 2.312 385 D HA 0.123 4.763 4.640 -0.000 0.000 0.211 385 D C 2.129 178.459 176.300 0.051 0.000 0.964 385 D CA 1.111 55.132 54.000 0.035 0.000 0.877 385 D CB -0.439 40.301 40.800 -0.100 0.000 0.924 385 D HN 0.671 nan 8.370 nan 0.000 0.515 386 A N 0.131 122.995 122.820 0.073 0.000 1.908 386 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 386 A C 1.309 178.929 177.584 0.059 0.000 1.181 386 A CA 1.228 53.309 52.037 0.073 0.000 0.627 386 A CB -0.092 18.989 19.000 0.136 0.000 0.818 386 A HN 0.227 nan 8.150 nan 0.000 0.445 387 N N -0.987 117.760 118.700 0.078 0.000 2.685 387 N HA 0.222 4.962 4.740 -0.000 0.000 0.252 387 N C -1.511 174.043 175.510 0.074 0.000 1.261 387 N CA -0.397 52.683 53.050 0.050 0.000 0.768 387 N CB 0.312 38.796 38.487 -0.005 0.000 1.304 387 N HN 0.429 nan 8.380 nan 0.000 0.536 388 H N 2.063 121.123 119.070 -0.016 0.000 2.481 388 H HA 0.668 5.224 4.556 -0.000 0.000 0.339 388 H C -0.541 174.765 175.328 -0.037 0.000 1.131 388 H CA -0.264 55.773 56.048 -0.020 0.000 1.301 388 H CB 1.144 30.894 29.762 -0.021 0.000 1.476 388 H HN 0.475 nan 8.280 nan 0.000 0.529 389 I N 3.227 123.420 120.570 -0.628 0.000 2.569 389 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 389 I C -1.214 174.574 176.117 -0.548 0.000 1.088 389 I CA -0.847 60.196 61.300 -0.428 0.000 1.047 389 I CB 1.662 39.491 38.000 -0.284 0.000 1.237 389 I HN 0.573 nan 8.210 nan 0.000 0.421 390 Q N 8.672 128.300 119.800 -0.287 0.000 2.344 390 Q HA 0.251 4.591 4.340 -0.000 0.000 0.253 390 Q C -1.987 173.818 176.000 -0.325 0.000 1.050 390 Q CA -1.814 53.853 55.803 -0.226 0.000 0.912 390 Q CB 1.102 29.787 28.738 -0.088 0.000 1.258 390 Q HN 0.468 nan 8.270 nan 0.000 0.443 391 P HA -0.170 nan 4.420 nan 0.000 0.223 391 P C 0.656 177.521 177.300 -0.724 0.000 1.151 391 P CA 1.115 63.731 63.100 -0.805 0.000 0.787 391 P CB 0.302 31.154 31.700 -1.413 0.000 0.788 392 D N 0.272 120.395 120.400 -0.461 0.000 2.277 392 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 392 D C 1.445 177.633 176.300 -0.187 0.000 0.962 392 D CA 0.719 54.541 54.000 -0.298 0.000 0.865 392 D CB -0.462 40.069 40.800 -0.447 0.000 0.939 392 D HN 0.243 nan 8.370 nan 0.000 0.510 393 E N 0.018 120.123 120.200 -0.158 0.000 2.112 393 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 393 E C 0.206 176.757 176.600 -0.080 0.000 0.979 393 E CA 0.670 57.015 56.400 -0.092 0.000 0.814 393 E CB 0.312 29.966 29.700 -0.077 0.000 0.762 393 E HN 0.127 nan 8.360 nan 0.000 0.460 394 D N -0.237 120.095 120.400 -0.113 0.000 2.337 394 D HA 0.053 4.693 4.640 -0.000 0.000 0.238 394 D C 0.759 176.969 176.300 -0.150 0.000 1.331 394 D CA -0.108 53.830 54.000 -0.103 0.000 0.967 394 D CB 1.371 42.116 40.800 -0.092 0.000 1.382 394 D HN -0.203 nan 8.370 nan 0.000 0.549 395 V N 3.938 123.754 119.914 -0.162 0.000 2.317 395 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 395 V C 2.576 178.477 176.094 -0.321 0.000 1.065 395 V CA 1.738 63.868 62.300 -0.285 0.000 1.049 395 V CB -0.409 31.159 31.823 -0.425 0.000 0.651 395 V HN 0.506 nan 8.190 nan 0.000 0.450 396 R N -0.490 119.871 120.500 -0.231 0.000 2.103 396 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 396 R C 2.418 178.625 176.300 -0.155 0.000 1.142 396 R CA 1.552 57.542 56.100 -0.183 0.000 0.960 396 R CB -0.368 29.867 30.300 -0.108 0.000 0.858 396 R HN 0.516 nan 8.270 nan 0.000 0.439 397 E N 0.032 120.149 120.200 -0.138 0.000 2.051 397 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 397 E C 2.055 178.566 176.600 -0.148 0.000 0.991 397 E CA 1.626 57.952 56.400 -0.123 0.000 0.799 397 E CB -0.298 29.333 29.700 -0.114 0.000 0.748 397 E HN 0.305 nan 8.360 nan 0.000 0.449 398 T N 1.956 116.392 114.554 -0.197 0.000 2.720 398 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 398 T C 2.145 176.745 174.700 -0.167 0.000 1.037 398 T CA 1.004 62.975 62.100 -0.216 0.000 1.144 398 T CB -0.262 68.429 68.868 -0.295 0.000 0.864 398 T HN 0.098 nan 8.240 nan 0.000 0.444 399 L N 0.622 121.723 121.223 -0.203 0.000 2.056 399 L HA -0.070 4.269 4.340 -0.000 0.000 0.207 399 L C 2.761 179.572 176.870 -0.098 0.000 1.078 399 L CA 1.293 56.035 54.840 -0.164 0.000 0.749 399 L CB -0.484 41.422 42.059 -0.255 0.000 0.901 399 L HN 0.206 nan 8.230 nan 0.000 0.433 400 K N 0.532 120.871 120.400 -0.101 0.000 2.063 400 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 400 K C 2.116 178.693 176.600 -0.037 0.000 1.048 400 K CA 1.511 57.758 56.287 -0.066 0.000 0.928 400 K CB -0.084 32.381 32.500 -0.059 0.000 0.713 400 K HN 0.278 nan 8.250 nan 0.000 0.442 401 A N 0.675 123.466 122.820 -0.048 0.000 1.902 401 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 401 A C 2.250 179.844 177.584 0.017 0.000 1.181 401 A CA 1.532 53.551 52.037 -0.029 0.000 0.623 401 A CB -0.557 18.403 19.000 -0.067 0.000 0.818 401 A HN 0.182 nan 8.150 nan 0.000 0.443 402 V N -0.096 119.835 119.914 0.029 0.000 2.270 402 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 402 V C 2.864 179.070 176.094 0.185 0.000 1.043 402 V CA 1.991 64.366 62.300 0.125 0.000 1.014 402 V CB -1.480 30.429 31.823 0.144 0.000 0.645 402 V HN 0.603 nan 8.190 nan 0.000 0.447 403 G N -1.094 107.732 108.800 0.043 0.000 2.469 403 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 403 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 403 G C 1.440 176.306 174.900 -0.057 0.000 1.136 403 G CA 0.790 45.803 45.100 -0.144 0.000 0.759 403 G HN 0.575 nan 8.290 nan 0.000 0.562 404 Q N -0.438 119.386 119.800 0.039 0.000 2.488 404 Q HA 0.198 4.538 4.340 -0.000 0.000 0.211 404 Q C 2.425 178.531 176.000 0.176 0.000 0.967 404 Q CA -0.001 55.868 55.803 0.110 0.000 0.926 404 Q CB -0.044 28.792 28.738 0.163 0.000 0.992 404 Q HN 0.467 nan 8.270 nan 0.000 0.506 405 L N -0.368 120.975 121.223 0.200 0.000 2.093 405 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 405 L C 0.917 178.022 176.870 0.391 0.000 1.085 405 L CA 0.737 55.773 54.840 0.327 0.000 0.755 405 L CB 0.128 42.449 42.059 0.436 0.000 0.904 405 L HN 0.026 nan 8.230 nan 0.000 0.435 406 A N -0.437 122.533 122.820 0.250 0.000 3.156 406 A HA 0.436 4.756 4.320 -0.000 0.000 0.311 406 A C -2.612 174.989 177.584 0.028 0.000 1.129 406 A CA -0.981 51.177 52.037 0.202 0.000 0.809 406 A CB -0.069 19.000 19.000 0.116 0.000 1.257 406 A HN -0.167 nan 8.150 nan 0.000 0.491 407 P HA 0.285 nan 4.420 nan 0.000 0.268 407 P C 1.145 178.403 177.300 -0.071 0.000 1.204 407 P CA 1.954 65.019 63.100 -0.058 0.000 0.768 407 P CB 0.984 32.681 31.700 -0.005 0.000 0.842 408 G N 2.617 111.329 108.800 -0.147 0.000 2.179 408 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 408 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 408 G C 0.795 175.640 174.900 -0.092 0.000 0.977 408 G CA 0.743 45.781 45.100 -0.103 0.000 0.641 408 G HN 0.681 nan 8.290 nan 0.000 0.533 409 T N -2.099 112.380 114.554 -0.125 0.000 3.014 409 T HA 0.581 4.931 4.350 -0.000 0.000 0.250 409 T C 0.575 175.328 174.700 0.088 0.000 1.060 409 T CA 1.049 63.155 62.100 0.010 0.000 1.040 409 T CB 0.043 68.974 68.868 0.105 0.000 0.971 409 T HN 1.549 nan 8.240 nan 0.000 0.497 410 F N -0.935 118.983 119.950 -0.053 0.000 2.686 410 F HA 0.824 5.351 4.527 -0.000 0.000 0.311 410 F C -0.419 175.371 175.800 -0.018 0.000 1.128 410 F CA -1.709 56.264 58.000 -0.045 0.000 0.946 410 F CB 0.934 39.884 39.000 -0.083 0.000 1.336 410 F HN 0.083 nan 8.300 nan 0.000 0.457 411 G N 0.424 109.367 108.800 0.239 0.000 2.454 411 G HA2 0.598 4.558 3.960 -0.000 0.000 0.329 411 G HA3 0.598 4.558 3.960 -0.000 0.000 0.329 411 G C -1.880 173.229 174.900 0.348 0.000 1.177 411 G CA -1.186 44.027 45.100 0.189 0.000 0.951 411 G HN 0.678 nan 8.290 nan 0.000 0.485 412 V N 1.687 121.785 119.914 0.307 0.000 2.383 412 V HA 0.227 4.347 4.120 -0.000 0.000 0.275 412 V C 0.891 177.170 176.094 0.307 0.000 1.036 412 V CA -0.411 62.085 62.300 0.327 0.000 0.889 412 V CB 1.346 33.366 31.823 0.328 0.000 0.985 412 V HN 0.844 nan 8.190 nan 0.000 0.459 413 K N 3.553 124.084 120.400 0.218 0.000 2.314 413 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 413 K C 0.785 177.459 176.600 0.123 0.000 1.045 413 K CA 0.350 56.719 56.287 0.137 0.000 0.988 413 K CB 0.537 33.085 32.500 0.080 0.000 0.783 413 K HN 0.547 nan 8.250 nan 0.000 0.484 414 R N 0.367 120.995 120.500 0.213 0.000 2.725 414 R HA 0.257 4.597 4.340 -0.000 0.000 0.254 414 R C -1.967 174.483 176.300 0.251 0.000 1.076 414 R CA -0.369 55.845 56.100 0.191 0.000 0.940 414 R CB 0.895 31.221 30.300 0.043 0.000 1.260 414 R HN -0.060 nan 8.270 nan 0.000 0.466 415 L N 3.455 124.864 121.223 0.310 0.000 2.342 415 L HA 0.781 5.121 4.340 -0.000 0.000 0.271 415 L C -0.791 176.129 176.870 0.083 0.000 1.008 415 L CA -1.178 53.821 54.840 0.264 0.000 0.818 415 L CB 2.340 44.629 42.059 0.384 0.000 1.296 415 L HN 0.300 nan 8.230 nan 0.000 0.427 416 V N 2.572 122.527 119.914 0.069 0.000 2.733 416 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 416 V C -0.990 175.220 176.094 0.193 0.000 1.084 416 V CA -0.609 61.614 62.300 -0.129 0.000 0.905 416 V CB 1.805 33.330 31.823 -0.498 0.000 1.010 416 V HN 0.674 nan 8.190 nan 0.000 0.424 417 F N 1.555 121.598 119.950 0.154 0.000 2.807 417 F HA 0.814 5.341 4.527 -0.000 0.000 0.316 417 F C -1.249 174.683 175.800 0.220 0.000 1.162 417 F CA -1.021 57.089 58.000 0.184 0.000 0.910 417 F CB 1.566 40.624 39.000 0.098 0.000 1.314 417 F HN 0.591 nan 8.300 nan 0.000 0.454 418 H N 0.769 120.033 119.070 0.323 0.000 2.679 418 H HA 0.439 4.995 4.556 -0.000 0.000 0.360 418 H C -1.539 173.780 175.328 -0.015 0.000 1.105 418 H CA -0.795 55.322 56.048 0.114 0.000 1.196 418 H CB 1.473 31.135 29.762 -0.166 0.000 1.636 418 H HN 0.772 nan 8.280 nan 0.000 0.531 419 N N 4.443 122.842 118.700 -0.502 0.000 2.415 419 N HA -0.007 4.733 4.740 -0.000 0.000 0.246 419 N C -0.087 175.182 175.510 -0.403 0.000 1.078 419 N CA -0.145 52.731 53.050 -0.290 0.000 0.942 419 N CB 0.222 38.649 38.487 -0.100 0.000 1.140 419 N HN 0.727 nan 8.380 nan 0.000 0.501 420 W N 2.757 124.132 121.300 0.125 0.000 2.518 420 W HA -0.017 4.643 4.660 -0.000 0.000 0.273 420 W C 1.989 178.590 176.519 0.137 0.000 1.247 420 W CA -0.055 57.422 57.345 0.220 0.000 1.288 420 W CB 0.103 29.736 29.460 0.289 0.000 1.107 420 W HN 0.349 nan 8.180 nan 0.000 0.586 421 V N 0.695 120.777 119.914 0.280 0.000 2.307 421 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 421 V C 1.772 177.925 176.094 0.099 0.000 1.045 421 V CA 1.738 64.138 62.300 0.166 0.000 1.024 421 V CB -0.691 31.222 31.823 0.149 0.000 0.651 421 V HN 0.092 nan 8.190 nan 0.000 0.449 422 K N -0.063 120.376 120.400 0.065 0.000 2.487 422 K HA 0.016 4.336 4.320 -0.000 0.000 0.192 422 K C 0.439 177.043 176.600 0.006 0.000 1.027 422 K CA -0.050 56.251 56.287 0.023 0.000 1.054 422 K CB -0.010 32.498 32.500 0.013 0.000 0.824 422 K HN 0.340 nan 8.250 nan 0.000 0.510 423 D N 1.945 122.374 120.400 0.049 0.000 2.336 423 D HA -0.056 4.584 4.640 -0.000 0.000 0.249 423 D C 0.869 177.183 176.300 0.023 0.000 1.213 423 D CA -0.022 54.024 54.000 0.077 0.000 0.870 423 D CB 0.931 41.888 40.800 0.260 0.000 1.076 423 D HN 0.305 nan 8.370 nan 0.000 0.483 424 E N 2.932 123.016 120.200 -0.194 0.000 2.333 424 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 424 E C 0.260 176.618 176.600 -0.402 0.000 1.007 424 E CA 0.971 57.137 56.400 -0.389 0.000 0.845 424 E CB -0.206 29.108 29.700 -0.643 0.000 0.766 424 E HN 0.355 nan 8.360 nan 0.000 0.507 425 F N -0.305 119.739 119.950 0.157 0.000 2.647 425 F HA 0.520 5.047 4.527 -0.000 0.000 0.300 425 F C 1.247 177.187 175.800 0.233 0.000 1.106 425 F CA -0.016 58.083 58.000 0.166 0.000 1.313 425 F CB 1.022 40.099 39.000 0.129 0.000 1.007 425 F HN 0.188 nan 8.300 nan 0.000 0.536 426 A N -0.452 122.597 122.820 0.382 0.000 1.780 426 A HA 0.224 4.544 4.320 -0.000 0.000 0.208 426 A C 1.125 178.876 177.584 0.279 0.000 1.761 426 A CA -0.206 52.066 52.037 0.392 0.000 1.183 426 A CB 0.260 19.621 19.000 0.602 0.000 1.162 426 A HN 0.044 nan 8.150 nan 0.000 0.472 427 K N 0.002 120.535 120.400 0.222 0.000 3.148 427 K HA -0.095 4.225 4.320 -0.000 0.000 0.267 427 K C 0.297 176.941 176.600 0.074 0.000 0.996 427 K CA 0.563 56.919 56.287 0.115 0.000 0.737 427 K CB -2.100 30.436 32.500 0.059 0.000 1.308 427 K HN 1.814 nan 8.250 nan 0.000 0.470 428 G N -1.866 107.036 108.800 0.170 0.000 2.361 428 G HA2 0.396 4.356 3.960 -0.000 0.000 0.331 428 G HA3 0.396 4.356 3.960 -0.000 0.000 0.331 428 G C -0.982 174.068 174.900 0.250 0.000 1.324 428 G CA -0.334 44.854 45.100 0.147 0.000 0.984 428 G HN 0.463 nan 8.290 nan 0.000 0.586 429 A N -0.824 122.059 122.820 0.105 0.000 3.444 429 A HA 0.896 5.216 4.320 -0.000 0.000 0.189 429 A C 0.371 177.860 177.584 -0.158 0.000 1.542 429 A CA 0.211 52.178 52.037 -0.117 0.000 0.867 429 A CB -0.334 18.436 19.000 -0.383 0.000 1.712 429 A HN 2.230 nan 8.150 nan 0.000 0.556 430 W N -1.238 120.028 121.300 -0.056 0.000 2.430 430 W HA 0.259 4.919 4.660 -0.000 0.000 0.346 430 W C -0.307 176.040 176.519 -0.287 0.000 1.230 430 W CA -0.568 56.721 57.345 -0.093 0.000 1.367 430 W CB -0.276 29.146 29.460 -0.064 0.000 1.204 430 W HN 0.453 nan 8.180 nan 0.000 0.599 431 F N 4.056 123.891 119.950 -0.192 0.000 2.495 431 F HA 0.345 4.872 4.527 -0.000 0.000 0.365 431 F C -0.915 174.916 175.800 0.052 0.000 1.090 431 F CA -0.560 57.164 58.000 -0.459 0.000 1.235 431 F CB 0.109 39.057 39.000 -0.086 0.000 1.119 431 F HN 0.314 nan 8.300 nan 0.000 0.562 432 F N 5.819 125.261 119.950 -0.847 0.000 2.607 432 F HA 0.348 4.875 4.527 -0.000 0.000 0.322 432 F C -0.460 174.918 175.800 -0.705 0.000 1.176 432 F CA -0.682 57.010 58.000 -0.513 0.000 0.977 432 F CB 1.280 40.188 39.000 -0.153 0.000 1.242 432 F HN 0.565 nan 8.300 nan 0.000 0.465 433 S N 4.841 120.090 115.700 -0.752 0.000 2.614 433 S HA 0.627 5.097 4.470 -0.000 0.000 0.265 433 S C 0.086 174.629 174.600 -0.095 0.000 1.303 433 S CA -0.884 57.068 58.200 -0.413 0.000 1.000 433 S CB 1.153 64.280 63.200 -0.122 0.000 0.935 433 S HN 0.729 nan 8.310 nan 0.000 0.551 434 R N 0.664 121.139 120.500 -0.041 0.000 2.560 434 R HA 0.365 4.705 4.340 -0.000 0.000 0.270 434 R C -2.623 173.690 176.300 0.023 0.000 1.074 434 R CA -1.925 54.173 56.100 -0.003 0.000 1.140 434 R CB -0.284 30.015 30.300 -0.001 0.000 1.073 434 R HN 0.424 nan 8.270 nan 0.000 0.527 435 P HA -0.093 nan 4.420 nan 0.000 0.261 435 P C 0.576 177.903 177.300 0.046 0.000 1.183 435 P CA 1.293 64.422 63.100 0.050 0.000 0.761 435 P CB 0.463 32.191 31.700 0.046 0.000 0.785 436 G N 3.537 112.370 108.800 0.055 0.000 2.320 436 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.242 436 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.242 436 G C 1.078 176.027 174.900 0.083 0.000 1.033 436 G CA 0.505 45.644 45.100 0.065 0.000 0.620 436 G HN 0.543 nan 8.290 nan 0.000 0.517 437 M N 0.790 120.438 119.600 0.079 0.000 2.088 437 M HA -0.111 4.369 4.480 -0.000 0.000 0.256 437 M C 2.463 178.846 176.300 0.138 0.000 1.071 437 M CA 3.021 58.383 55.300 0.103 0.000 1.097 437 M CB -0.295 32.370 32.600 0.109 0.000 1.315 437 M HN 0.274 nan 8.290 nan 0.000 0.406 438 V N -0.030 119.975 119.914 0.152 0.000 2.295 438 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 438 V C 2.412 178.588 176.094 0.136 0.000 1.049 438 V CA 2.029 64.414 62.300 0.141 0.000 1.024 438 V CB -0.909 30.977 31.823 0.106 0.000 0.648 438 V HN 0.580 nan 8.190 nan 0.000 0.447 439 S N -0.670 115.136 115.700 0.177 0.000 2.389 439 S HA -0.348 4.122 4.470 -0.000 0.000 0.229 439 S C 2.040 176.810 174.600 0.283 0.000 1.048 439 S CA 2.337 60.731 58.200 0.324 0.000 1.117 439 S CB -0.391 62.974 63.200 0.273 0.000 1.020 439 S HN 0.712 nan 8.310 nan 0.000 0.430 440 E N -0.632 119.665 120.200 0.162 0.000 2.023 440 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 440 E C 1.643 178.295 176.600 0.086 0.000 1.003 440 E CA 1.632 58.093 56.400 0.102 0.000 0.809 440 E CB -0.033 29.707 29.700 0.066 0.000 0.755 440 E HN 0.566 nan 8.360 nan 0.000 0.449 441 C N 0.108 119.455 119.300 0.078 0.000 3.038 441 C HA 0.216 4.676 4.460 -0.000 0.000 0.279 441 C C 2.052 177.044 174.990 0.003 0.000 1.276 441 C CA -0.713 58.321 59.018 0.026 0.000 1.697 441 C CB -0.558 27.192 27.740 0.017 0.000 2.032 441 C HN 0.425 nan 8.230 nan 0.000 0.636 442 L N 1.590 122.841 121.223 0.047 0.000 2.017 442 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 442 L C 2.646 179.518 176.870 0.004 0.000 1.073 442 L CA 1.966 56.820 54.840 0.024 0.000 0.745 442 L CB -0.851 41.226 42.059 0.030 0.000 0.894 442 L HN 0.388 nan 8.230 nan 0.000 0.432 443 Q N -0.802 119.025 119.800 0.045 0.000 2.014 443 Q HA -0.234 4.106 4.340 -0.000 0.000 0.207 443 Q C 2.005 177.980 176.000 -0.042 0.000 0.993 443 Q CA 2.090 57.912 55.803 0.032 0.000 0.850 443 Q CB -0.619 28.163 28.738 0.072 0.000 0.916 443 Q HN 0.653 nan 8.270 nan 0.000 0.417 444 G N 0.527 109.284 108.800 -0.072 0.000 2.432 444 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 444 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 444 G C 1.322 176.051 174.900 -0.284 0.000 1.135 444 G CA 0.602 45.617 45.100 -0.141 0.000 0.767 444 G HN 0.316 nan 8.290 nan 0.000 0.550 445 L N -0.558 120.456 121.223 -0.349 0.000 2.395 445 L HA 0.115 4.455 4.340 -0.000 0.000 0.218 445 L C 2.929 179.316 176.870 -0.805 0.000 1.130 445 L CA 0.419 54.831 54.840 -0.712 0.000 0.826 445 L CB -0.049 41.628 42.059 -0.637 0.000 0.941 445 L HN 0.149 nan 8.230 nan 0.000 0.451 446 R N -0.412 119.893 120.500 -0.325 0.000 2.223 446 R HA 0.043 4.383 4.340 -0.000 0.000 0.198 446 R C 0.733 177.032 176.300 -0.003 0.000 0.984 446 R CA -0.103 55.950 56.100 -0.078 0.000 1.018 446 R CB 0.176 30.510 30.300 0.058 0.000 0.945 446 R HN 0.303 nan 8.270 nan 0.000 0.479 447 E N 2.322 122.489 120.200 -0.054 0.000 2.398 447 E HA -0.007 4.343 4.350 -0.000 0.000 0.263 447 E C -0.702 175.945 176.600 0.078 0.000 1.046 447 E CA 0.029 56.433 56.400 0.006 0.000 0.908 447 E CB 0.678 30.358 29.700 -0.034 0.000 0.963 447 E HN -0.042 nan 8.360 nan 0.000 0.431 448 K N 2.681 123.133 120.400 0.085 0.000 2.298 448 K HA 0.069 4.389 4.320 -0.000 0.000 0.280 448 K C 0.036 176.735 176.600 0.166 0.000 1.032 448 K CA -0.118 56.233 56.287 0.107 0.000 0.958 448 K CB 0.679 33.215 32.500 0.061 0.000 0.978 448 K HN 0.505 nan 8.250 nan 0.000 0.472 449 H N 1.949 121.047 119.070 0.046 0.000 2.386 449 H HA 0.110 4.666 4.556 -0.000 0.000 0.232 449 H C 0.567 175.901 175.328 0.010 0.000 1.416 449 H CA 0.443 56.518 56.048 0.046 0.000 1.285 449 H CB 0.179 30.020 29.762 0.132 0.000 1.625 449 H HN 1.025 nan 8.280 nan 0.000 0.521 450 G N 1.483 110.207 108.800 -0.127 0.000 2.557 450 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.292 450 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.292 450 G C 1.040 175.902 174.900 -0.063 0.000 1.162 450 G CA 0.092 45.115 45.100 -0.128 0.000 0.964 450 G HN 0.631 nan 8.290 nan 0.000 0.541 451 G N -0.393 108.375 108.800 -0.054 0.000 3.337 451 G HA2 0.509 4.469 3.960 -0.000 0.000 0.246 451 G HA3 0.509 4.469 3.960 -0.000 0.000 0.246 451 G C 0.128 175.004 174.900 -0.040 0.000 1.131 451 G CA 1.034 46.115 45.100 -0.031 0.000 0.773 451 G HN 1.224 nan 8.290 nan 0.000 0.544 452 V N 1.553 121.434 119.914 -0.054 0.000 2.370 452 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 452 V C -0.166 175.808 176.094 -0.200 0.000 1.029 452 V CA -0.753 61.461 62.300 -0.143 0.000 0.870 452 V CB 1.610 33.326 31.823 -0.178 0.000 0.984 452 V HN -0.048 nan 8.190 nan 0.000 0.451 453 V N 5.753 125.548 119.914 -0.198 0.000 2.370 453 V HA 0.408 4.528 4.120 -0.000 0.000 0.279 453 V C -0.348 175.649 176.094 -0.161 0.000 1.029 453 V CA -0.373 61.862 62.300 -0.109 0.000 0.870 453 V CB 1.006 32.813 31.823 -0.027 0.000 0.984 453 V HN 0.642 nan 8.190 nan 0.000 0.451 454 F N 3.811 123.833 119.950 0.120 0.000 2.390 454 F HA 0.665 5.192 4.527 -0.000 0.000 0.361 454 F C 0.609 176.750 175.800 0.569 0.000 1.124 454 F CA -0.208 57.944 58.000 0.253 0.000 1.149 454 F CB 1.134 40.116 39.000 -0.029 0.000 1.160 454 F HN 0.549 nan 8.300 nan 0.000 0.501 455 A N 4.085 127.310 122.820 0.675 0.000 2.381 455 A HA 0.728 5.048 4.320 -0.000 0.000 0.299 455 A C -1.132 176.388 177.584 -0.106 0.000 1.049 455 A CA -0.542 51.682 52.037 0.310 0.000 0.715 455 A CB 1.427 20.510 19.000 0.138 0.000 1.222 455 A HN 0.602 nan 8.150 nan 0.000 0.428 456 N N 0.793 119.042 118.700 -0.752 0.000 2.815 456 N HA 0.113 4.853 4.740 -0.000 0.000 0.253 456 N C 0.648 175.622 175.510 -0.893 0.000 1.202 456 N CA 0.241 52.777 53.050 -0.856 0.000 0.925 456 N CB 1.851 39.603 38.487 -1.225 0.000 1.622 456 N HN 0.374 nan 8.380 nan 0.000 0.497 457 S N 1.079 116.509 115.700 -0.450 0.000 2.400 457 S HA -0.204 4.266 4.470 -0.000 0.000 0.234 457 S C 0.712 175.089 174.600 -0.371 0.000 1.049 457 S CA 2.102 60.131 58.200 -0.285 0.000 1.039 457 S CB -0.277 62.870 63.200 -0.089 0.000 0.856 457 S HN 0.636 nan 8.310 nan 0.000 0.465 458 D N 0.062 120.169 120.400 -0.488 0.000 2.228 458 D HA -0.148 4.492 4.640 -0.000 0.000 0.203 458 D C 1.051 176.947 176.300 -0.673 0.000 0.988 458 D CA 1.338 55.037 54.000 -0.501 0.000 0.864 458 D CB -0.310 40.421 40.800 -0.115 0.000 0.928 458 D HN 0.937 nan 8.370 nan 0.000 0.469 459 W N -0.267 120.815 121.300 -0.364 0.000 2.300 459 W HA 0.732 5.392 4.660 -0.000 0.000 0.366 459 W C -0.055 176.370 176.519 -0.157 0.000 0.913 459 W CA -1.086 56.082 57.345 -0.295 0.000 2.200 459 W CB -0.481 28.860 29.460 -0.200 0.000 1.182 459 W HN -0.154 nan 8.180 nan 0.000 0.586 460 A N 1.094 123.830 122.820 -0.141 0.000 2.366 460 A HA 0.371 4.691 4.320 -0.000 0.000 0.250 460 A C 0.820 178.398 177.584 -0.011 0.000 1.099 460 A CA 0.157 52.164 52.037 -0.051 0.000 0.794 460 A CB 0.640 19.610 19.000 -0.050 0.000 1.056 460 A HN 0.359 nan 8.150 nan 0.000 0.499 461 L N 0.272 121.513 121.223 0.031 0.000 2.316 461 L HA 0.197 4.537 4.340 -0.000 0.000 0.207 461 L C 2.133 178.981 176.870 -0.036 0.000 1.070 461 L CA 1.990 56.848 54.840 0.030 0.000 0.820 461 L CB -1.466 40.666 42.059 0.122 0.000 0.992 461 L HN 0.868 nan 8.230 nan 0.000 0.466 462 G N -2.044 106.727 108.800 -0.048 0.000 2.722 462 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.201 462 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.201 462 G C -0.422 174.340 174.900 -0.229 0.000 1.926 462 G CA -0.318 44.554 45.100 -0.380 0.000 0.872 462 G HN 0.252 nan 8.290 nan 0.000 0.581 463 W N 2.608 123.874 121.300 -0.057 0.000 1.435 463 W HA 0.437 5.097 4.660 -0.000 0.000 0.471 463 W C 1.060 177.685 176.519 0.176 0.000 0.590 463 W CA -0.816 56.488 57.345 -0.068 0.000 2.419 463 W CB -0.320 29.002 29.460 -0.231 0.000 1.251 463 W HN 0.099 nan 8.180 nan 0.000 0.338 464 R N 2.005 122.678 120.500 0.289 0.000 2.537 464 R HA 0.022 4.362 4.340 -0.000 0.000 0.281 464 R C 1.286 177.779 176.300 0.322 0.000 0.988 464 R CA 1.607 57.828 56.100 0.203 0.000 1.077 464 R CB 0.377 30.711 30.300 0.056 0.000 0.932 464 R HN 0.472 nan 8.270 nan 0.000 0.409 465 S N 1.266 117.078 115.700 0.187 0.000 2.827 465 S HA -0.165 4.305 4.470 -0.000 0.000 0.269 465 S C -0.385 174.132 174.600 -0.139 0.000 1.323 465 S CA 0.692 58.979 58.200 0.145 0.000 1.176 465 S CB -2.163 61.270 63.200 0.390 0.000 1.436 465 S HN 0.479 nan 8.310 nan 0.000 0.673 466 F N 0.555 120.531 119.950 0.044 0.000 2.541 466 F HA 0.685 5.212 4.527 -0.000 0.000 0.331 466 F C 1.914 177.723 175.800 0.017 0.000 1.057 466 F CA -0.856 57.127 58.000 -0.028 0.000 0.975 466 F CB 0.511 39.451 39.000 -0.101 0.000 1.246 466 F HN -0.027 nan 8.300 nan 0.000 0.484 467 I N 0.540 121.234 120.570 0.206 0.000 2.236 467 I HA -0.339 3.831 4.170 -0.000 0.000 0.249 467 I C 2.234 178.417 176.117 0.111 0.000 1.102 467 I CA 1.702 63.087 61.300 0.141 0.000 1.365 467 I CB -0.262 37.780 38.000 0.071 0.000 1.051 467 I HN 0.712 nan 8.210 nan 0.000 0.420 468 D N 1.004 121.476 120.400 0.120 0.000 2.117 468 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 468 D C 2.162 178.557 176.300 0.159 0.000 0.987 468 D CA 1.716 55.794 54.000 0.129 0.000 0.829 468 D CB -0.037 40.748 40.800 -0.025 0.000 0.961 468 D HN 0.399 nan 8.370 nan 0.000 0.460 469 G N 0.521 109.437 108.800 0.193 0.000 2.422 469 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 469 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 469 G C 1.737 176.629 174.900 -0.014 0.000 1.140 469 G CA 1.082 46.238 45.100 0.094 0.000 0.775 469 G HN 0.422 nan 8.290 nan 0.000 0.545 470 A N 0.969 123.803 122.820 0.024 0.000 1.877 470 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 470 A C 2.386 179.965 177.584 -0.007 0.000 1.186 470 A CA 1.405 53.440 52.037 -0.004 0.000 0.620 470 A CB -0.371 18.679 19.000 0.083 0.000 0.822 470 A HN 0.369 nan 8.150 nan 0.000 0.443 471 I N -0.846 119.743 120.570 0.032 0.000 2.202 471 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 471 I C 2.481 178.589 176.117 -0.014 0.000 1.091 471 I CA 1.538 62.879 61.300 0.067 0.000 1.368 471 I CB -0.464 37.646 38.000 0.184 0.000 1.058 471 I HN 0.541 nan 8.210 nan 0.000 0.410 472 E N 1.149 121.228 120.200 -0.202 0.000 2.113 472 E HA -0.321 4.029 4.350 -0.000 0.000 0.210 472 E C 2.071 178.584 176.600 -0.144 0.000 1.040 472 E CA 1.913 58.053 56.400 -0.433 0.000 0.847 472 E CB 0.046 29.398 29.700 -0.579 0.000 0.755 472 E HN 0.363 nan 8.360 nan 0.000 0.459 473 E N -0.684 119.456 120.200 -0.101 0.000 2.072 473 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 473 E C 2.026 178.618 176.600 -0.012 0.000 0.982 473 E CA 0.962 57.326 56.400 -0.060 0.000 0.803 473 E CB -0.510 29.105 29.700 -0.142 0.000 0.755 473 E HN 0.458 nan 8.360 nan 0.000 0.453 474 G N 0.524 109.319 108.800 -0.008 0.000 2.418 474 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 474 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 474 G C 1.692 176.620 174.900 0.046 0.000 1.158 474 G CA 1.503 46.616 45.100 0.022 0.000 0.771 474 G HN 0.247 nan 8.290 nan 0.000 0.545 475 T N 0.158 114.747 114.554 0.059 0.000 2.708 475 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 475 T C 2.304 177.042 174.700 0.063 0.000 1.037 475 T CA 1.296 63.444 62.100 0.080 0.000 1.146 475 T CB -0.123 68.812 68.868 0.111 0.000 0.865 475 T HN 0.336 nan 8.240 nan 0.000 0.435 476 R N 1.005 121.536 120.500 0.051 0.000 2.081 476 R HA -0.016 4.323 4.340 -0.000 0.000 0.235 476 R C 2.595 178.924 176.300 0.049 0.000 1.131 476 R CA 1.386 57.519 56.100 0.055 0.000 0.960 476 R CB -0.456 29.880 30.300 0.061 0.000 0.856 476 R HN 0.367 nan 8.270 nan 0.000 0.436 477 A N 0.715 123.562 122.820 0.044 0.000 1.933 477 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 477 A C 2.330 179.913 177.584 -0.002 0.000 1.175 477 A CA 1.654 53.709 52.037 0.030 0.000 0.628 477 A CB -0.677 18.342 19.000 0.031 0.000 0.814 477 A HN 0.548 nan 8.150 nan 0.000 0.444 478 A N -0.354 122.469 122.820 0.005 0.000 1.929 478 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 478 A C 2.173 179.748 177.584 -0.014 0.000 1.176 478 A CA 1.750 53.778 52.037 -0.017 0.000 0.628 478 A CB -0.384 18.628 19.000 0.019 0.000 0.816 478 A HN 0.521 nan 8.150 nan 0.000 0.444 479 R N -0.489 120.023 120.500 0.019 0.000 2.115 479 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 479 R C 1.737 178.045 176.300 0.015 0.000 1.111 479 R CA 1.585 57.703 56.100 0.030 0.000 0.976 479 R CB -0.520 29.808 30.300 0.047 0.000 0.870 479 R HN 0.230 nan 8.270 nan 0.000 0.445 480 V N -0.364 119.554 119.914 0.007 0.000 2.270 480 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 480 V C 2.204 178.279 176.094 -0.032 0.000 1.043 480 V CA 1.717 64.018 62.300 0.001 0.000 1.014 480 V CB -0.279 31.553 31.823 0.015 0.000 0.645 480 V HN 0.199 nan 8.190 nan 0.000 0.447 481 V N 0.441 120.307 119.914 -0.081 0.000 2.332 481 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 481 V C 2.299 178.277 176.094 -0.193 0.000 1.055 481 V CA 2.278 64.479 62.300 -0.164 0.000 1.038 481 V CB -0.519 31.145 31.823 -0.265 0.000 0.651 481 V HN 0.622 nan 8.190 nan 0.000 0.450 482 L N -0.706 120.430 121.223 -0.145 0.000 2.492 482 L HA 0.094 4.434 4.340 -0.000 0.000 0.223 482 L C 1.873 178.799 176.870 0.094 0.000 1.132 482 L CA 1.345 56.174 54.840 -0.019 0.000 0.850 482 L CB -0.829 41.293 42.059 0.104 0.000 0.966 482 L HN 0.364 nan 8.230 nan 0.000 0.454 483 E N 0.147 120.374 120.200 0.045 0.000 2.042 483 E HA -0.047 4.303 4.350 -0.000 0.000 0.189 483 E C 0.617 177.242 176.600 0.042 0.000 0.974 483 E CA 0.602 57.031 56.400 0.048 0.000 0.806 483 E CB 0.012 29.732 29.700 0.034 0.000 0.769 483 E HN 0.620 nan 8.360 nan 0.000 0.451 484 E N 0.450 120.665 120.200 0.025 0.000 2.766 484 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 484 E C -0.227 176.407 176.600 0.057 0.000 1.427 484 E CA -0.461 55.956 56.400 0.028 0.000 1.085 484 E CB 0.312 30.016 29.700 0.005 0.000 1.074 484 E HN -0.120 nan 8.360 nan 0.000 0.651 485 L N 0.000 121.265 121.223 0.070 0.000 2.949 485 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 485 L CA 0.000 54.926 54.840 0.143 0.000 0.813 485 L CB 0.000 42.164 42.059 0.175 0.000 0.961 485 L HN 0.000 nan 8.230 nan 0.000 0.502