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 2vtf_1_A DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPGRV ADRVNANADT DATA SEQUENCE DAHLVSLSAL NRHTSGVPSQ GAPVFYENTF SYWHYTDLMV YWAGSAGEGI DATA SEQUENCE IVPPSADVID ASHRNGVPIL GNVFFPPTVY GGQLEWLEQM LEQEEDGSFP DATA SEQUENCE LADKLLEVAD YYGFDGWFIN QQTEGADEGT AEAMQAFLVY LQEQKPEGMH DATA SEQUENCE IMWYDSMIDT GAIAWQNHLT DRNKMYLQNG STRVADSMFL NFWWRDQRQS DATA SEQUENCE NELAQALGRS PYDLYAGVDV EARGTSTPVQ WEGLFPEGEK AHTSLGLYRP DATA SEQUENCE DWAFQSSETM EAFYEKELQF WVGSTGNPAE TDGQSNWPGM AHWFPAKSTA DATA SEQUENCE TSVPFVTHFN TGSGAQFSAE GKTVSEQEWN NRSLQDVLPT WRWIQHGGDL DATA SEQUENCE EATFSWEEAF EGGSSLQWHG SLAEGEHAQI ELYQTELPIS EGTSLTWTFK DATA SEQUENCE SEHGNDLNVG FRLDGEEDFR YVEGEQRESI NGWTQWTLPL DAFAGQTITG DATA SEQUENCE LAFAAEGNET GLAEFYIGQL AVGADSEKPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EKQSNVHHYR VYKETKHGKE LIGTSAGDRI YLEGLVEESK QNDVRLHIEA DATA SEQUENCE LSETFVPSDA RMIDIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.777 174.700 0.129 0.000 1.109 2 T CA 0.000 62.154 62.100 0.090 0.000 1.349 2 T CB 0.000 68.900 68.868 0.053 0.000 0.612 3 Y N 4.108 124.418 120.300 0.017 0.000 2.336 3 Y HA 0.527 5.087 4.550 0.016 0.000 0.335 3 Y C 0.773 176.668 175.900 -0.009 0.000 1.046 3 Y CA -0.288 57.820 58.100 0.013 0.000 1.198 3 Y CB 0.942 39.401 38.460 -0.003 0.000 1.182 3 Y HN 0.708 nan 8.280 nan 0.000 0.502 4 N N 2.991 121.313 118.700 -0.630 0.000 2.234 4 N HA 0.214 4.964 4.740 0.016 0.000 0.227 4 N C 0.353 175.404 175.510 -0.765 0.000 1.151 4 N CA -0.063 52.707 53.050 -0.465 0.000 0.865 4 N CB 0.692 39.085 38.487 -0.157 0.000 1.066 4 N HN 0.767 nan 8.380 nan 0.000 0.515 5 G N 1.066 108.821 108.800 -1.741 0.000 2.588 5 G HA2 0.299 4.269 3.960 0.016 0.000 0.281 5 G HA3 0.299 4.269 3.960 0.016 0.000 0.281 5 G C -2.460 171.883 174.900 -0.928 0.000 1.236 5 G CA -0.992 42.941 45.100 -1.944 0.000 0.969 5 G HN -0.082 nan 8.290 nan 0.000 0.504 6 P HA 0.267 nan 4.420 nan 0.000 0.271 6 P C -0.621 176.571 177.300 -0.181 0.000 1.218 6 P CA 0.088 62.880 63.100 -0.514 0.000 0.780 6 P CB 1.042 32.178 31.700 -0.940 0.000 0.901 7 L N 0.703 121.893 121.223 -0.056 0.000 2.354 7 L HA 0.417 4.767 4.340 0.016 0.000 0.264 7 L C 0.800 177.654 176.870 -0.026 0.000 1.008 7 L CA -1.030 53.806 54.840 -0.007 0.000 0.819 7 L CB 1.957 44.032 42.059 0.027 0.000 1.339 7 L HN 0.294 nan 8.230 nan 0.000 0.420 8 S N 0.430 116.105 115.700 -0.042 0.000 2.572 8 S HA 0.220 4.700 4.470 0.016 0.000 0.279 8 S C 0.123 174.641 174.600 -0.137 0.000 1.341 8 S CA -0.435 57.698 58.200 -0.112 0.000 1.043 8 S CB 0.572 63.702 63.200 -0.116 0.000 0.887 8 S HN 0.581 nan 8.310 nan 0.000 0.516 9 S N 2.504 118.039 115.700 -0.275 0.000 2.617 9 S HA 0.496 4.976 4.470 0.016 0.000 0.269 9 S C -0.778 173.388 174.600 -0.723 0.000 1.292 9 S CA -0.461 57.373 58.200 -0.609 0.000 1.010 9 S CB 0.371 63.114 63.200 -0.762 0.000 0.944 9 S HN 0.923 nan 8.310 nan 0.000 0.536 10 H N -1.924 116.541 119.070 -1.007 0.000 3.112 10 H HA 0.587 5.152 4.556 0.016 0.000 0.347 10 H C -2.018 172.831 175.328 -0.798 0.000 1.188 10 H CA -0.970 54.605 56.048 -0.790 0.000 1.240 10 H CB 0.498 30.004 29.762 -0.426 0.000 1.920 10 H HN 0.510 nan 8.280 nan 0.000 0.535 11 W N 2.337 123.541 121.300 -0.159 0.000 3.033 11 W HA 0.477 5.146 4.660 0.015 0.000 0.336 11 W C -1.268 174.998 176.519 -0.423 0.000 1.173 11 W CA -1.060 56.163 57.345 -0.202 0.000 1.185 11 W CB 1.698 31.086 29.460 -0.120 0.000 1.425 11 W HN 0.435 nan 8.180 nan 0.000 0.536 12 F N 1.526 121.528 119.950 0.088 0.000 2.378 12 F HA 0.266 4.803 4.527 0.017 0.000 0.325 12 F C -1.113 174.680 175.800 -0.011 0.000 1.097 12 F CA -1.937 55.985 58.000 -0.130 0.000 1.079 12 F CB -0.076 38.775 39.000 -0.248 0.000 1.240 12 F HN -0.016 nan 8.300 nan 0.000 0.519 13 P HA -0.207 nan 4.420 nan 0.000 0.216 13 P C 1.085 178.467 177.300 0.136 0.000 1.154 13 P CA 1.840 65.020 63.100 0.134 0.000 0.865 13 P CB 0.123 31.943 31.700 0.199 0.000 0.789 14 E N -0.692 119.615 120.200 0.178 0.000 2.204 14 E HA -0.175 4.185 4.350 0.016 0.000 0.194 14 E C 1.886 178.568 176.600 0.137 0.000 0.989 14 E CA 0.863 57.350 56.400 0.145 0.000 0.824 14 E CB -0.194 29.594 29.700 0.147 0.000 0.756 14 E HN 0.471 nan 8.360 nan 0.000 0.477 15 E N 0.569 120.883 120.200 0.190 0.000 2.051 15 E HA -0.154 4.205 4.350 0.016 0.000 0.189 15 E C 2.125 178.767 176.600 0.070 0.000 0.979 15 E CA 0.416 56.946 56.400 0.218 0.000 0.803 15 E CB -0.073 29.864 29.700 0.395 0.000 0.761 15 E HN 0.067 nan 8.360 nan 0.000 0.451 16 L N 1.519 122.694 121.223 -0.080 0.000 2.043 16 L HA -0.197 4.153 4.340 0.016 0.000 0.212 16 L C 2.255 179.031 176.870 -0.157 0.000 1.075 16 L CA 2.086 56.686 54.840 -0.400 0.000 0.752 16 L CB -0.669 41.174 42.059 -0.360 0.000 0.891 16 L HN 0.072 nan 8.230 nan 0.000 0.432 17 A N -1.425 121.375 122.820 -0.033 0.000 1.986 17 A HA -0.219 4.111 4.320 0.016 0.000 0.220 17 A C 2.013 179.604 177.584 0.011 0.000 1.171 17 A CA 1.783 53.824 52.037 0.006 0.000 0.640 17 A CB -0.434 18.589 19.000 0.039 0.000 0.811 17 A HN 0.631 nan 8.150 nan 0.000 0.451 18 Q N -2.475 117.341 119.800 0.026 0.000 2.319 18 Q HA 0.050 4.400 4.340 0.016 0.000 0.202 18 Q C -0.124 175.889 176.000 0.022 0.000 0.896 18 Q CA -0.384 55.434 55.803 0.024 0.000 0.942 18 Q CB -0.179 28.585 28.738 0.043 0.000 1.083 18 Q HN 0.775 nan 8.270 nan 0.000 0.510 19 W N 2.584 123.774 121.300 -0.184 0.000 2.251 19 W HA 0.112 4.781 4.660 0.015 0.000 0.327 19 W C -0.235 176.175 176.519 -0.181 0.000 1.361 19 W CA 0.464 57.682 57.345 -0.210 0.000 1.234 19 W CB 0.669 29.840 29.460 -0.481 0.000 1.212 19 W HN -0.196 nan 8.180 nan 0.000 0.557 20 E N 6.971 126.592 120.200 -0.966 0.000 2.275 20 E HA 0.147 4.507 4.350 0.016 0.000 0.270 20 E C -1.846 173.939 176.600 -1.357 0.000 0.882 20 E CA -1.814 53.954 56.400 -1.053 0.000 0.758 20 E CB 2.059 31.460 29.700 -0.500 0.000 1.195 20 E HN 0.181 nan 8.360 nan 0.000 0.419 21 P HA -0.152 nan 4.420 nan 0.000 0.216 21 P C 0.551 177.545 177.300 -0.509 0.000 1.153 21 P CA 1.189 63.615 63.100 -1.123 0.000 0.858 21 P CB 0.415 31.260 31.700 -1.425 0.000 0.789 22 D N -1.104 119.051 120.400 -0.409 0.000 2.309 22 D HA -0.068 4.582 4.640 0.016 0.000 0.212 22 D C 1.301 177.510 176.300 -0.152 0.000 0.968 22 D CA 1.229 55.107 54.000 -0.204 0.000 0.882 22 D CB -0.392 40.310 40.800 -0.163 0.000 0.918 22 D HN 0.291 nan 8.370 nan 0.000 0.503 23 S N -0.797 114.782 115.700 -0.202 0.000 2.593 23 S HA 0.081 4.561 4.470 0.016 0.000 0.236 23 S C 0.095 174.660 174.600 -0.057 0.000 0.991 23 S CA -0.664 57.467 58.200 -0.116 0.000 0.963 23 S CB 0.719 63.849 63.200 -0.117 0.000 0.865 23 S HN -0.076 nan 8.310 nan 0.000 0.488 24 D N 2.072 122.449 120.400 -0.037 0.000 2.440 24 D HA 0.430 5.080 4.640 0.016 0.000 0.239 24 D C -2.190 174.216 176.300 0.175 0.000 1.084 24 D CA -2.319 51.751 54.000 0.116 0.000 0.843 24 D CB 2.041 42.998 40.800 0.261 0.000 1.097 24 D HN -0.087 nan 8.370 nan 0.000 0.531 25 P HA -0.014 nan 4.420 nan 0.000 0.222 25 P C 0.334 177.916 177.300 0.470 0.000 1.147 25 P CA 0.673 63.912 63.100 0.231 0.000 0.790 25 P CB 0.500 32.236 31.700 0.060 0.000 0.780 26 D N -1.052 119.607 120.400 0.432 0.000 2.333 26 D HA 0.060 4.710 4.640 0.016 0.000 0.208 26 D C 1.974 178.618 176.300 0.573 0.000 0.984 26 D CA 0.641 54.947 54.000 0.510 0.000 0.873 26 D CB -0.577 40.398 40.800 0.291 0.000 0.935 26 D HN 0.021 nan 8.370 nan 0.000 0.521 27 A N 1.672 124.826 122.820 0.556 0.000 1.908 27 A HA -0.116 4.214 4.320 0.016 0.000 0.218 27 A C -0.234 177.764 177.584 0.691 0.000 1.181 27 A CA 1.211 53.701 52.037 0.754 0.000 0.627 27 A CB -1.424 17.972 19.000 0.659 0.000 0.818 27 A HN 0.179 nan 8.150 nan 0.000 0.445 28 P HA -0.096 nan 4.420 nan 0.000 0.220 28 P C 0.818 178.118 177.300 -0.001 0.000 1.148 28 P CA 0.876 64.068 63.100 0.154 0.000 0.803 28 P CB -0.172 31.460 31.700 -0.112 0.000 0.782 29 F N -0.883 119.154 119.950 0.145 0.000 2.456 29 F HA -0.010 4.528 4.527 0.018 0.000 0.298 29 F C 1.759 177.564 175.800 0.009 0.000 1.104 29 F CA 0.835 58.868 58.000 0.055 0.000 1.435 29 F CB -0.752 38.260 39.000 0.019 0.000 1.078 29 F HN -0.068 nan 8.300 nan 0.000 0.546 30 N N 0.274 119.062 118.700 0.147 0.000 2.336 30 N HA 0.046 4.796 4.740 0.016 0.000 0.189 30 N C 0.021 175.345 175.510 -0.310 0.000 1.113 30 N CA 0.131 53.055 53.050 -0.211 0.000 0.858 30 N CB 0.064 38.210 38.487 -0.569 0.000 0.970 30 N HN 0.203 nan 8.380 nan 0.000 0.471 31 R N 0.689 121.174 120.500 -0.026 0.000 2.389 31 R HA 0.184 4.534 4.340 0.016 0.000 0.295 31 R C 0.373 176.601 176.300 -0.120 0.000 1.075 31 R CA -0.091 55.969 56.100 -0.067 0.000 1.005 31 R CB 0.854 31.001 30.300 -0.256 0.000 0.987 31 R HN -0.093 nan 8.270 nan 0.000 0.452 32 S N 1.262 116.887 115.700 -0.125 0.000 2.537 32 S HA 0.113 4.593 4.470 0.016 0.000 0.275 32 S C 0.050 174.532 174.600 -0.197 0.000 1.272 32 S CA -0.599 57.555 58.200 -0.077 0.000 1.050 32 S CB 0.509 63.670 63.200 -0.064 0.000 0.961 32 S HN 0.673 nan 8.310 nan 0.000 0.496 33 H N 2.203 121.285 119.070 0.021 0.000 2.672 33 H HA 0.362 4.926 4.556 0.014 0.000 0.277 33 H C -0.454 174.909 175.328 0.058 0.000 1.074 33 H CA -0.045 56.025 56.048 0.036 0.000 1.173 33 H CB 0.589 30.375 29.762 0.041 0.000 1.558 33 H HN 0.310 nan 8.280 nan 0.000 0.539 34 V N 4.601 124.606 119.914 0.152 0.000 2.333 34 V HA 0.233 4.362 4.120 0.016 0.000 0.274 34 V C -2.096 174.120 176.094 0.204 0.000 1.028 34 V CA -1.912 60.472 62.300 0.140 0.000 0.851 34 V CB 1.304 33.187 31.823 0.100 0.000 1.000 34 V HN 0.111 nan 8.190 nan 0.000 0.456 35 P HA 0.154 nan 4.420 nan 0.000 0.274 35 P C -0.303 176.897 177.300 -0.167 0.000 1.237 35 P CA -0.638 62.473 63.100 0.017 0.000 0.793 35 P CB 0.944 32.637 31.700 -0.012 0.000 0.977 36 L N 1.634 122.494 121.223 -0.606 0.000 2.615 36 L HA 0.015 4.365 4.340 0.016 0.000 0.271 36 L C 0.436 177.168 176.870 -0.230 0.000 1.183 36 L CA 0.340 54.782 54.840 -0.663 0.000 0.933 36 L CB -1.018 40.639 42.059 -0.670 0.000 1.199 36 L HN 0.295 nan 8.230 nan 0.000 0.487 37 E N 7.948 128.073 120.200 -0.125 0.000 2.257 37 E HA 0.318 4.678 4.350 0.016 0.000 0.278 37 E C -2.381 174.193 176.600 -0.044 0.000 1.049 37 E CA -1.677 54.690 56.400 -0.054 0.000 0.876 37 E CB 0.483 30.172 29.700 -0.019 0.000 1.035 37 E HN 0.472 nan 8.360 nan 0.000 0.419 38 P HA 0.314 nan 4.420 nan 0.000 0.280 38 P C -0.004 177.293 177.300 -0.005 0.000 1.272 38 P CA -0.179 62.911 63.100 -0.016 0.000 0.819 38 P CB 1.026 32.719 31.700 -0.012 0.000 1.122 39 G N 0.228 109.030 108.800 0.004 0.000 2.182 39 G HA2 -0.238 3.731 3.960 0.016 0.000 0.248 39 G HA3 -0.238 3.731 3.960 0.016 0.000 0.248 39 G C 0.095 174.997 174.900 0.003 0.000 1.042 39 G CA -0.339 44.765 45.100 0.006 0.000 0.775 39 G HN 0.628 nan 8.290 nan 0.000 0.501 40 R N -0.727 119.779 120.500 0.010 0.000 2.698 40 R HA 0.394 4.744 4.340 0.016 0.000 0.266 40 R C 0.926 177.233 176.300 0.011 0.000 1.026 40 R CA 0.459 56.564 56.100 0.008 0.000 1.102 40 R CB 0.720 31.037 30.300 0.029 0.000 0.978 40 R HN 0.743 nan 8.270 nan 0.000 0.436 41 V N -1.099 118.811 119.914 -0.006 0.000 2.667 41 V HA 0.844 4.973 4.120 0.016 0.000 0.308 41 V C -0.036 176.070 176.094 0.020 0.000 1.048 41 V CA -1.088 61.214 62.300 0.004 0.000 0.928 41 V CB 1.750 33.562 31.823 -0.018 0.000 1.004 41 V HN 0.856 nan 8.190 nan 0.000 0.444 42 A N 2.809 125.660 122.820 0.052 0.000 2.320 42 A HA 0.778 5.108 4.320 0.016 0.000 0.334 42 A C -0.174 177.476 177.584 0.111 0.000 1.147 42 A CA -0.363 51.727 52.037 0.089 0.000 0.820 42 A CB 0.934 20.003 19.000 0.115 0.000 1.218 42 A HN 1.176 nan 8.150 nan 0.000 0.482 43 D N -0.133 120.367 120.400 0.167 0.000 2.447 43 D HA 0.393 5.043 4.640 0.016 0.000 0.265 43 D C 0.088 176.515 176.300 0.211 0.000 1.250 43 D CA -0.403 53.757 54.000 0.265 0.000 1.046 43 D CB 0.501 41.602 40.800 0.501 0.000 1.095 43 D HN 0.438 nan 8.370 nan 0.000 0.555 44 R N -0.606 120.014 120.500 0.200 0.000 2.534 44 R HA 0.167 4.517 4.340 0.016 0.000 0.438 44 R C 1.138 177.480 176.300 0.071 0.000 0.913 44 R CA 0.114 56.279 56.100 0.110 0.000 1.130 44 R CB 0.604 30.945 30.300 0.068 0.000 1.611 44 R HN 0.342 nan 8.270 nan 0.000 0.571 45 V N -1.954 118.019 119.914 0.098 0.000 2.809 45 V HA 0.041 4.171 4.120 0.016 0.000 0.256 45 V C 0.790 176.875 176.094 -0.015 0.000 1.080 45 V CA 0.892 63.186 62.300 -0.009 0.000 1.102 45 V CB -0.227 31.519 31.823 -0.129 0.000 0.705 45 V HN 0.188 nan 8.190 nan 0.000 0.475 46 N N 0.697 119.404 118.700 0.012 0.000 2.425 46 N HA 0.481 5.231 4.740 0.016 0.000 0.268 46 N C 0.877 176.330 175.510 -0.095 0.000 0.991 46 N CA 0.546 53.565 53.050 -0.051 0.000 0.931 46 N CB 1.955 40.403 38.487 -0.065 0.000 1.130 46 N HN 0.311 nan 8.380 nan 0.000 0.493 47 A N 3.730 126.483 122.820 -0.112 0.000 2.066 47 A HA -0.121 4.209 4.320 0.016 0.000 0.218 47 A C 1.763 179.241 177.584 -0.177 0.000 1.157 47 A CA 1.085 53.053 52.037 -0.114 0.000 0.670 47 A CB -0.278 18.668 19.000 -0.090 0.000 0.804 47 A HN 0.781 nan 8.150 nan 0.000 0.453 48 N N -0.221 118.303 118.700 -0.293 0.000 2.416 48 N HA 0.173 4.923 4.740 0.016 0.000 0.177 48 N C 0.685 175.934 175.510 -0.435 0.000 1.036 48 N CA 0.719 53.499 53.050 -0.451 0.000 0.901 48 N CB -0.232 37.720 38.487 -0.892 0.000 0.976 48 N HN 0.375 nan 8.380 nan 0.000 0.444 49 A N -0.247 122.360 122.820 -0.355 0.000 2.425 49 A HA 0.321 4.651 4.320 0.016 0.000 0.242 49 A C -0.108 177.377 177.584 -0.166 0.000 1.077 49 A CA 0.033 51.907 52.037 -0.273 0.000 0.781 49 A CB 0.261 19.178 19.000 -0.138 0.000 1.020 49 A HN 0.377 nan 8.150 nan 0.000 0.494 50 D N -1.480 118.827 120.400 -0.155 0.000 2.664 50 D HA 0.459 5.109 4.640 0.016 0.000 0.292 50 D C 0.540 176.800 176.300 -0.067 0.000 1.214 50 D CA 0.551 54.493 54.000 -0.096 0.000 0.932 50 D CB 1.677 42.415 40.800 -0.103 0.000 1.420 50 D HN 0.472 nan 8.370 nan 0.000 0.471 51 T N -2.486 112.037 114.554 -0.052 0.000 3.092 51 T HA 0.208 4.567 4.350 0.016 0.000 0.258 51 T C 0.469 175.110 174.700 -0.099 0.000 1.031 51 T CA -0.119 61.975 62.100 -0.009 0.000 0.925 51 T CB 0.293 69.178 68.868 0.028 0.000 1.036 51 T HN 0.125 nan 8.240 nan 0.000 0.544 52 D N 2.516 122.754 120.400 -0.270 0.000 2.144 52 D HA 0.208 4.857 4.640 0.016 0.000 0.207 52 D C 1.264 176.913 176.300 -1.086 0.000 0.970 52 D CA 0.611 54.214 54.000 -0.662 0.000 0.853 52 D CB -0.306 40.055 40.800 -0.732 0.000 1.007 52 D HN 0.587 nan 8.370 nan 0.000 0.469 53 A N 1.682 124.079 122.820 -0.705 0.000 2.425 53 A HA 0.236 4.566 4.320 0.016 0.000 0.249 53 A C -0.026 177.570 177.584 0.020 0.000 1.084 53 A CA -0.110 51.694 52.037 -0.387 0.000 0.781 53 A CB 0.170 19.188 19.000 0.029 0.000 1.019 53 A HN 0.163 nan 8.150 nan 0.000 0.490 54 H N 0.229 119.495 119.070 0.325 0.000 2.615 54 H HA 0.667 5.233 4.556 0.017 0.000 0.346 54 H C -0.879 174.716 175.328 0.445 0.000 1.200 54 H CA -0.951 55.349 56.048 0.420 0.000 1.264 54 H CB 1.480 31.469 29.762 0.379 0.000 1.699 54 H HN 0.607 nan 8.280 nan 0.000 0.567 55 L N 1.179 122.664 121.223 0.437 0.000 2.409 55 L HA 0.421 4.771 4.340 0.016 0.000 0.272 55 L C -1.113 175.974 176.870 0.363 0.000 0.980 55 L CA -0.777 54.197 54.840 0.224 0.000 0.826 55 L CB 1.645 43.488 42.059 -0.361 0.000 1.268 55 L HN 0.330 nan 8.230 nan 0.000 0.407 56 V N 4.013 124.162 119.914 0.392 0.000 2.547 56 V HA 0.620 4.750 4.120 0.016 0.000 0.299 56 V C -0.349 175.893 176.094 0.246 0.000 1.040 56 V CA -0.069 62.344 62.300 0.189 0.000 0.913 56 V CB 2.152 33.922 31.823 -0.089 0.000 0.992 56 V HN 0.832 nan 8.190 nan 0.000 0.449 57 S N 5.934 121.734 115.700 0.165 0.000 2.449 57 S HA 0.675 5.155 4.470 0.016 0.000 0.310 57 S C -1.037 173.545 174.600 -0.030 0.000 1.096 57 S CA -0.612 57.651 58.200 0.105 0.000 1.095 57 S CB 1.056 64.284 63.200 0.047 0.000 1.007 57 S HN 0.585 nan 8.310 nan 0.000 0.474 58 L N 4.698 125.869 121.223 -0.087 0.000 2.287 58 L HA 0.487 4.836 4.340 0.016 0.000 0.280 58 L C -0.151 176.516 176.870 -0.339 0.000 1.055 58 L CA 0.311 55.017 54.840 -0.224 0.000 0.863 58 L CB 0.764 42.626 42.059 -0.330 0.000 1.245 58 L HN 0.558 nan 8.230 nan 0.000 0.432 59 S N 1.709 117.247 115.700 -0.271 0.000 2.502 59 S HA 0.681 5.161 4.470 0.016 0.000 0.304 59 S C 0.226 174.648 174.600 -0.297 0.000 1.097 59 S CA -0.720 57.268 58.200 -0.354 0.000 1.045 59 S CB 1.823 64.755 63.200 -0.446 0.000 1.019 59 S HN 0.550 nan 8.310 nan 0.000 0.481 60 A N 3.829 126.461 122.820 -0.314 0.000 2.906 60 A HA 0.308 4.638 4.320 0.016 0.000 0.289 60 A C 1.016 178.373 177.584 -0.377 0.000 1.675 60 A CA -0.226 51.627 52.037 -0.306 0.000 1.372 60 A CB -0.926 17.936 19.000 -0.230 0.000 1.091 60 A HN 0.929 nan 8.150 nan 0.000 0.579 61 L N 0.448 121.427 121.223 -0.405 0.000 2.201 61 L HA -0.103 4.247 4.340 0.016 0.000 0.212 61 L C 0.508 177.187 176.870 -0.318 0.000 1.105 61 L CA 0.884 55.536 54.840 -0.313 0.000 0.775 61 L CB -0.298 41.694 42.059 -0.112 0.000 0.913 61 L HN 0.638 nan 8.230 nan 0.000 0.440 62 N N -0.930 117.565 118.700 -0.342 0.000 2.342 62 N HA 0.209 4.959 4.740 0.016 0.000 0.293 62 N C 0.554 175.884 175.510 -0.301 0.000 1.026 62 N CA -0.481 52.411 53.050 -0.264 0.000 0.857 62 N CB 1.688 40.106 38.487 -0.116 0.000 1.256 62 N HN -0.075 nan 8.380 nan 0.000 0.484 63 R N 1.100 121.429 120.500 -0.285 0.000 2.105 63 R HA -0.069 4.281 4.340 0.016 0.000 0.239 63 R C -0.091 175.885 176.300 -0.539 0.000 1.135 63 R CA 1.279 57.147 56.100 -0.388 0.000 0.967 63 R CB 0.056 30.117 30.300 -0.398 0.000 0.861 63 R HN 0.625 nan 8.270 nan 0.000 0.442 64 H N -1.727 117.271 119.070 -0.121 0.000 2.670 64 H HA 0.167 4.732 4.556 0.016 0.000 0.361 64 H C 0.549 175.780 175.328 -0.162 0.000 1.169 64 H CA -0.484 55.486 56.048 -0.130 0.000 1.198 64 H CB 2.230 31.931 29.762 -0.100 0.000 1.700 64 H HN -0.081 nan 8.280 nan 0.000 0.542 65 T N 0.981 115.495 114.554 -0.067 0.000 2.809 65 T HA -0.047 4.313 4.350 0.016 0.000 0.260 65 T C 1.155 175.701 174.700 -0.256 0.000 1.039 65 T CA 1.065 63.055 62.100 -0.183 0.000 1.141 65 T CB 0.034 68.734 68.868 -0.280 0.000 0.869 65 T HN 0.658 nan 8.240 nan 0.000 0.437 66 S N -0.361 115.146 115.700 -0.321 0.000 2.672 66 S HA 0.540 5.020 4.470 0.016 0.000 0.276 66 S C 1.257 175.822 174.600 -0.059 0.000 1.207 66 S CA -0.024 57.991 58.200 -0.309 0.000 1.002 66 S CB 1.211 64.207 63.200 -0.340 0.000 0.998 66 S HN 0.766 nan 8.310 nan 0.000 0.542 67 G N -0.397 108.424 108.800 0.035 0.000 2.148 67 G HA2 -0.214 3.756 3.960 0.016 0.000 0.254 67 G HA3 -0.214 3.756 3.960 0.016 0.000 0.254 67 G C -0.048 174.871 174.900 0.033 0.000 0.981 67 G CA 0.043 45.166 45.100 0.038 0.000 0.670 67 G HN 1.185 nan 8.290 nan 0.000 0.528 68 V N 2.197 122.130 119.914 0.031 0.000 2.389 68 V HA 0.342 4.472 4.120 0.016 0.000 0.264 68 V C -1.349 174.744 176.094 -0.002 0.000 1.049 68 V CA -1.337 60.968 62.300 0.009 0.000 0.932 68 V CB 1.212 33.046 31.823 0.018 0.000 1.011 68 V HN 0.111 nan 8.190 nan 0.000 0.475 69 P HA 0.138 nan 4.420 nan 0.000 0.269 69 P C 0.845 178.132 177.300 -0.022 0.000 1.209 69 P CA 0.170 63.248 63.100 -0.036 0.000 0.776 69 P CB 0.685 32.271 31.700 -0.190 0.000 0.876 70 S N 1.152 116.845 115.700 -0.012 0.000 2.382 70 S HA -0.166 4.314 4.470 0.016 0.000 0.228 70 S C 0.912 175.526 174.600 0.024 0.000 1.027 70 S CA 1.453 59.652 58.200 -0.001 0.000 0.991 70 S CB -0.321 62.908 63.200 0.049 0.000 0.823 70 S HN 0.597 nan 8.310 nan 0.000 0.469 71 Q N -0.397 119.433 119.800 0.050 0.000 2.089 71 Q HA 0.447 4.797 4.340 0.016 0.000 0.248 71 Q C 0.189 176.243 176.000 0.089 0.000 0.828 71 Q CA -0.086 55.767 55.803 0.084 0.000 1.102 71 Q CB 1.462 30.282 28.738 0.136 0.000 1.221 71 Q HN 0.439 nan 8.270 nan 0.000 0.455 72 G N 0.563 109.396 108.800 0.055 0.000 2.525 72 G HA2 0.261 4.231 3.960 0.016 0.000 0.685 72 G HA3 0.261 4.231 3.960 0.016 0.000 0.685 72 G C -1.415 173.498 174.900 0.022 0.000 1.290 72 G CA -0.549 44.594 45.100 0.072 0.000 0.915 72 G HN 0.479 nan 8.290 nan 0.000 0.548 73 A N -0.649 122.198 122.820 0.046 0.000 2.601 73 A HA 0.905 5.235 4.320 0.016 0.000 0.291 73 A C -2.946 174.678 177.584 0.068 0.000 1.075 73 A CA -0.273 51.751 52.037 -0.022 0.000 0.671 73 A CB 2.042 20.976 19.000 -0.110 0.000 1.277 73 A HN 1.058 nan 8.150 nan 0.000 0.417 74 P HA 0.375 nan 4.420 nan 0.000 0.218 74 P C -0.944 176.415 177.300 0.099 0.000 1.793 74 P CA 0.153 63.324 63.100 0.118 0.000 0.941 74 P CB -0.104 31.651 31.700 0.090 0.000 1.919 75 V N 2.703 122.670 119.914 0.089 0.000 2.569 75 V HA 0.154 4.284 4.120 0.016 0.000 0.301 75 V C 0.860 177.003 176.094 0.082 0.000 1.044 75 V CA -0.509 61.839 62.300 0.080 0.000 0.874 75 V CB 1.670 33.517 31.823 0.041 0.000 1.002 75 V HN 0.076 nan 8.190 nan 0.000 0.424 76 F N 5.213 125.116 119.950 -0.078 0.000 2.128 76 F HA 0.012 4.548 4.527 0.016 0.000 0.295 76 F C 0.885 176.616 175.800 -0.114 0.000 1.100 76 F CA 1.088 58.983 58.000 -0.174 0.000 1.260 76 F CB -0.137 38.778 39.000 -0.143 0.000 1.009 76 F HN 0.481 nan 8.300 nan 0.000 0.476 77 Y N 2.520 122.649 120.300 -0.285 0.000 2.616 77 Y HA 0.375 4.935 4.550 0.017 0.000 0.350 77 Y C -0.346 175.538 175.900 -0.026 0.000 1.119 77 Y CA -0.438 57.464 58.100 -0.330 0.000 1.467 77 Y CB -0.769 37.512 38.460 -0.299 0.000 1.287 77 Y HN 0.168 nan 8.280 nan 0.000 0.504 78 E N 2.891 122.851 120.200 -0.400 0.000 2.416 78 E HA 0.257 4.617 4.350 0.016 0.000 0.273 78 E C -1.404 174.657 176.600 -0.899 0.000 0.935 78 E CA -0.868 55.246 56.400 -0.476 0.000 0.784 78 E CB 0.928 30.463 29.700 -0.274 0.000 1.301 78 E HN 0.349 nan 8.360 nan 0.000 0.454 79 N N 1.520 119.407 118.700 -1.355 0.000 2.671 79 N HA 0.044 4.794 4.740 0.016 0.000 0.274 79 N C -0.792 174.511 175.510 -0.346 0.000 1.188 79 N CA 0.192 52.420 53.050 -1.371 0.000 1.065 79 N CB -0.171 37.444 38.487 -1.452 0.000 1.415 79 N HN 0.457 nan 8.380 nan 0.000 0.511 80 T N 1.292 115.882 114.554 0.060 0.000 3.591 80 T HA 0.119 4.479 4.350 0.016 0.000 0.232 80 T C 0.529 175.414 174.700 0.308 0.000 1.116 80 T CA -0.825 61.420 62.100 0.240 0.000 1.063 80 T CB -1.176 67.843 68.868 0.251 0.000 1.227 80 T HN 0.252 nan 8.240 nan 0.000 0.685 81 F N 3.344 123.325 119.950 0.051 0.000 2.568 81 F HA 0.133 4.670 4.527 0.016 0.000 0.394 81 F C 1.115 176.671 175.800 -0.406 0.000 1.032 81 F CA 0.394 58.258 58.000 -0.228 0.000 1.242 81 F CB 0.586 39.292 39.000 -0.491 0.000 0.966 81 F HN 0.491 nan 8.300 nan 0.000 0.560 82 S N 3.960 118.905 115.700 -1.258 0.000 2.780 82 S HA 0.172 4.652 4.470 0.016 0.000 0.248 82 S C -0.102 173.635 174.600 -1.438 0.000 1.036 82 S CA -0.289 57.274 58.200 -1.062 0.000 1.061 82 S CB -0.546 62.200 63.200 -0.758 0.000 1.037 82 S HN 0.640 nan 8.310 nan 0.000 0.584 83 Y N 1.010 119.997 120.300 -2.187 0.000 2.801 83 Y HA 0.411 4.972 4.550 0.018 0.000 0.318 83 Y C 0.586 175.689 175.900 -1.328 0.000 1.073 83 Y CA -1.414 55.681 58.100 -1.675 0.000 1.360 83 Y CB -0.682 36.662 38.460 -1.860 0.000 1.220 83 Y HN 0.313 nan 8.280 nan 0.000 0.536 84 W N -0.723 120.126 121.300 -0.751 0.000 2.331 84 W HA -0.276 4.397 4.660 0.022 0.000 0.291 84 W C 2.212 178.632 176.519 -0.166 0.000 1.214 84 W CA 2.021 59.247 57.345 -0.198 0.000 1.228 84 W CB -0.660 28.743 29.460 -0.093 0.000 1.135 84 W HN 0.505 nan 8.180 nan 0.000 0.537 85 H N -3.834 115.151 119.070 -0.142 0.000 2.518 85 H HA -0.160 4.406 4.556 0.016 0.000 0.289 85 H C 0.954 176.140 175.328 -0.236 0.000 1.051 85 H CA 1.482 57.378 56.048 -0.254 0.000 1.280 85 H CB -0.941 28.535 29.762 -0.476 0.000 1.380 85 H HN 0.197 nan 8.280 nan 0.000 0.566 86 Y N 1.025 121.233 120.300 -0.153 0.000 2.555 86 Y HA 0.296 4.857 4.550 0.018 0.000 0.259 86 Y C 0.069 176.063 175.900 0.157 0.000 1.179 86 Y CA -0.566 57.591 58.100 0.094 0.000 1.230 86 Y CB 0.481 39.101 38.460 0.266 0.000 1.146 86 Y HN 0.098 nan 8.280 nan 0.000 0.526 87 T N 0.561 115.263 114.554 0.247 0.000 2.786 87 T HA 0.176 4.536 4.350 0.016 0.000 0.283 87 T C 0.359 175.211 174.700 0.254 0.000 0.992 87 T CA -0.584 61.683 62.100 0.279 0.000 0.954 87 T CB 1.439 70.493 68.868 0.309 0.000 0.934 87 T HN 0.173 nan 8.240 nan 0.000 0.440 88 D N 1.482 122.025 120.400 0.238 0.000 2.327 88 D HA 0.141 4.791 4.640 0.016 0.000 0.205 88 D C 0.120 176.509 176.300 0.148 0.000 0.989 88 D CA 0.356 54.475 54.000 0.198 0.000 0.873 88 D CB 0.669 41.603 40.800 0.224 0.000 0.955 88 D HN 0.189 nan 8.370 nan 0.000 0.515 89 L N 0.647 121.959 121.223 0.148 0.000 2.565 89 L HA 0.377 4.727 4.340 0.016 0.000 0.261 89 L C -1.859 175.076 176.870 0.107 0.000 0.932 89 L CA -0.673 54.208 54.840 0.069 0.000 0.878 89 L CB 2.214 44.218 42.059 -0.092 0.000 1.333 89 L HN -0.261 nan 8.230 nan 0.000 0.409 90 M N 5.171 124.850 119.600 0.131 0.000 2.227 90 M HA 0.682 5.171 4.480 0.016 0.000 0.335 90 M C -1.761 174.580 176.300 0.068 0.000 1.053 90 M CA -0.408 54.968 55.300 0.126 0.000 0.973 90 M CB 1.593 34.357 32.600 0.274 0.000 1.623 90 M HN 0.258 nan 8.290 nan 0.000 0.434 91 V N 6.207 126.121 119.914 -0.001 0.000 2.370 91 V HA 0.257 4.386 4.120 0.016 0.000 0.279 91 V C -1.002 175.087 176.094 -0.008 0.000 1.029 91 V CA -0.655 61.623 62.300 -0.036 0.000 0.870 91 V CB 0.911 32.584 31.823 -0.250 0.000 0.984 91 V HN 0.765 nan 8.190 nan 0.000 0.451 92 Y N 5.489 125.719 120.300 -0.116 0.000 2.587 92 Y HA 0.102 4.662 4.550 0.017 0.000 0.344 92 Y C 0.095 175.929 175.900 -0.110 0.000 1.061 92 Y CA -0.122 57.900 58.100 -0.129 0.000 1.370 92 Y CB 0.312 38.649 38.460 -0.206 0.000 1.163 92 Y HN 0.731 nan 8.280 nan 0.000 0.527 93 W N 8.363 129.342 121.300 -0.534 0.000 2.388 93 W HA 0.550 5.219 4.660 0.016 0.000 0.308 93 W C -1.169 175.025 176.519 -0.543 0.000 1.263 93 W CA -0.052 57.005 57.345 -0.480 0.000 1.286 93 W CB 0.618 29.803 29.460 -0.458 0.000 1.294 93 W HN 0.797 nan 8.180 nan 0.000 0.493 94 A N 3.940 126.242 122.820 -0.865 0.000 2.511 94 A HA 0.782 5.112 4.320 0.016 0.000 0.293 94 A C -0.355 176.881 177.584 -0.580 0.000 1.098 94 A CA -0.100 51.571 52.037 -0.609 0.000 0.643 94 A CB 0.730 19.525 19.000 -0.341 0.000 1.302 94 A HN 1.475 nan 8.150 nan 0.000 0.446 95 G N -1.099 107.504 108.800 -0.329 0.000 2.906 95 G HA2 0.619 4.588 3.960 0.016 0.000 0.686 95 G HA3 0.619 4.588 3.960 0.016 0.000 0.686 95 G C -0.493 174.415 174.900 0.013 0.000 1.170 95 G CA 0.318 45.326 45.100 -0.152 0.000 0.775 95 G HN 2.752 nan 8.290 nan 0.000 0.630 96 S N 0.248 115.971 115.700 0.039 0.000 2.565 96 S HA 0.897 5.377 4.470 0.016 0.000 0.269 96 S C 1.082 175.745 174.600 0.105 0.000 1.153 96 S CA 0.267 58.553 58.200 0.144 0.000 0.835 96 S CB 1.465 64.706 63.200 0.069 0.000 1.122 96 S HN 2.396 nan 8.310 nan 0.000 0.462 97 A N 1.496 124.467 122.820 0.251 0.000 1.972 97 A HA 0.226 4.556 4.320 0.016 0.000 0.219 97 A C 1.981 179.842 177.584 0.461 0.000 1.169 97 A CA 1.909 54.209 52.037 0.439 0.000 0.635 97 A CB -1.494 17.843 19.000 0.562 0.000 0.810 97 A HN 1.434 nan 8.150 nan 0.000 0.446 98 G N -0.900 108.081 108.800 0.302 0.000 2.430 98 G HA2 -0.044 3.926 3.960 0.016 0.000 0.216 98 G HA3 -0.044 3.926 3.960 0.016 0.000 0.216 98 G C 1.409 176.474 174.900 0.274 0.000 1.146 98 G CA 0.958 46.220 45.100 0.270 0.000 0.793 98 G HN 0.634 nan 8.290 nan 0.000 0.537 99 E N -1.245 119.015 120.200 0.101 0.000 2.330 99 E HA 0.408 4.768 4.350 0.016 0.000 0.200 99 E C 0.860 177.276 176.600 -0.307 0.000 0.922 99 E CA 0.385 56.740 56.400 -0.076 0.000 0.935 99 E CB 0.970 30.503 29.700 -0.278 0.000 0.917 99 E HN 0.373 nan 8.360 nan 0.000 0.491 100 G N 1.059 109.427 108.800 -0.720 0.000 2.307 100 G HA2 0.039 4.009 3.960 0.016 0.000 0.348 100 G HA3 0.039 4.009 3.960 0.016 0.000 0.348 100 G C -0.149 174.302 174.900 -0.748 0.000 1.603 100 G CA -0.546 43.746 45.100 -1.347 0.000 0.961 100 G HN 0.158 nan 8.290 nan 0.000 0.686 101 I N -1.577 118.545 120.570 -0.747 0.000 4.057 101 I HA 0.566 4.746 4.170 0.016 0.000 0.334 101 I C 0.052 176.034 176.117 -0.224 0.000 1.308 101 I CA -0.050 61.014 61.300 -0.393 0.000 1.125 101 I CB 0.337 38.072 38.000 -0.442 0.000 1.034 101 I HN 0.172 nan 8.210 nan 0.000 0.401 102 I N 2.636 123.126 120.570 -0.134 0.000 2.355 102 I HA 0.383 4.563 4.170 0.016 0.000 0.288 102 I C -0.820 175.425 176.117 0.213 0.000 0.999 102 I CA -0.655 60.697 61.300 0.087 0.000 1.163 102 I CB 1.767 39.849 38.000 0.137 0.000 1.316 102 I HN -0.150 nan 8.210 nan 0.000 0.454 103 V N 8.214 128.291 119.914 0.272 0.000 2.447 103 V HA 0.450 4.580 4.120 0.016 0.000 0.292 103 V C -2.290 173.874 176.094 0.118 0.000 1.021 103 V CA -1.545 60.839 62.300 0.140 0.000 0.850 103 V CB 1.651 33.514 31.823 0.066 0.000 1.005 103 V HN 0.505 nan 8.190 nan 0.000 0.426 104 P HA 0.386 nan 4.420 nan 0.000 0.276 104 P C -2.847 173.890 177.300 -0.939 0.000 1.244 104 P CA -2.031 60.768 63.100 -0.502 0.000 0.801 104 P CB 0.457 32.137 31.700 -0.032 0.000 1.006 105 P HA 0.052 nan 4.420 nan 0.000 0.272 105 P C 0.116 176.783 177.300 -1.055 0.000 1.223 105 P CA 0.031 62.052 63.100 -1.798 0.000 0.784 105 P CB 0.102 31.145 31.700 -1.095 0.000 0.923 106 S N 0.961 116.159 115.700 -0.836 0.000 2.585 106 S HA 0.311 4.791 4.470 0.016 0.000 0.273 106 S C 1.496 175.921 174.600 -0.291 0.000 1.339 106 S CA -0.017 57.947 58.200 -0.394 0.000 1.028 106 S CB 0.491 63.588 63.200 -0.172 0.000 0.906 106 S HN 0.523 nan 8.310 nan 0.000 0.528 107 A N 2.019 124.707 122.820 -0.220 0.000 1.940 107 A HA -0.170 4.160 4.320 0.016 0.000 0.219 107 A C 1.883 179.416 177.584 -0.086 0.000 1.176 107 A CA 1.757 53.706 52.037 -0.147 0.000 0.631 107 A CB -1.135 17.816 19.000 -0.081 0.000 0.814 107 A HN 0.993 nan 8.150 nan 0.000 0.446 108 D N 0.542 120.916 120.400 -0.043 0.000 2.117 108 D HA -0.159 4.490 4.640 0.016 0.000 0.197 108 D C 1.814 178.115 176.300 0.002 0.000 0.987 108 D CA 2.056 56.061 54.000 0.009 0.000 0.829 108 D CB -1.296 39.532 40.800 0.046 0.000 0.961 108 D HN 0.626 nan 8.370 nan 0.000 0.460 109 V N -1.387 118.521 119.914 -0.010 0.000 2.788 109 V HA 0.048 4.177 4.120 0.016 0.000 0.251 109 V C 2.580 178.627 176.094 -0.080 0.000 1.068 109 V CA 0.345 62.675 62.300 0.050 0.000 1.090 109 V CB -0.800 31.120 31.823 0.162 0.000 0.710 109 V HN 0.097 nan 8.190 nan 0.000 0.467 110 I N 1.087 121.539 120.570 -0.196 0.000 2.163 110 I HA -0.198 3.982 4.170 0.016 0.000 0.243 110 I C 2.496 178.358 176.117 -0.425 0.000 1.085 110 I CA 2.153 63.230 61.300 -0.372 0.000 1.347 110 I CB -0.637 37.135 38.000 -0.379 0.000 1.044 110 I HN 0.269 nan 8.210 nan 0.000 0.408 111 D N 1.144 121.407 120.400 -0.229 0.000 2.104 111 D HA -0.178 4.472 4.640 0.016 0.000 0.194 111 D C 2.270 178.471 176.300 -0.166 0.000 0.994 111 D CA 1.734 55.655 54.000 -0.131 0.000 0.830 111 D CB -0.293 40.484 40.800 -0.039 0.000 0.959 111 D HN 0.367 nan 8.370 nan 0.000 0.452 112 A N 0.351 123.054 122.820 -0.196 0.000 1.883 112 A HA -0.194 4.136 4.320 0.016 0.000 0.217 112 A C 2.359 179.421 177.584 -0.869 0.000 1.186 112 A CA 2.239 54.071 52.037 -0.342 0.000 0.624 112 A CB -0.864 18.089 19.000 -0.079 0.000 0.822 112 A HN 0.229 nan 8.150 nan 0.000 0.444 113 S N -1.425 113.705 115.700 -0.950 0.000 2.356 113 S HA -0.216 4.264 4.470 0.016 0.000 0.223 113 S C 2.076 176.452 174.600 -0.374 0.000 1.032 113 S CA 1.732 59.315 58.200 -1.028 0.000 1.005 113 S CB -0.518 62.438 63.200 -0.407 0.000 0.867 113 S HN 0.704 nan 8.310 nan 0.000 0.449 114 H N 1.259 120.152 119.070 -0.294 0.000 2.387 114 H HA 0.129 4.695 4.556 0.017 0.000 0.299 114 H C 2.361 177.601 175.328 -0.146 0.000 1.090 114 H CA 1.270 57.225 56.048 -0.155 0.000 1.332 114 H CB -0.322 29.389 29.762 -0.086 0.000 1.386 114 H HN 0.359 nan 8.280 nan 0.000 0.516 115 R N 0.178 120.644 120.500 -0.056 0.000 2.159 115 R HA -0.101 4.248 4.340 0.016 0.000 0.237 115 R C 0.853 177.110 176.300 -0.071 0.000 1.131 115 R CA 1.474 57.545 56.100 -0.048 0.000 0.982 115 R CB -0.103 30.165 30.300 -0.053 0.000 0.868 115 R HN 0.399 nan 8.270 nan 0.000 0.453 116 N N -1.091 117.507 118.700 -0.170 0.000 2.230 116 N HA 0.095 4.845 4.740 0.016 0.000 0.202 116 N C 0.352 175.845 175.510 -0.028 0.000 1.119 116 N CA 0.508 53.495 53.050 -0.106 0.000 0.851 116 N CB 1.442 39.818 38.487 -0.185 0.000 0.990 116 N HN 0.267 nan 8.380 nan 0.000 0.497 117 G N 0.072 108.854 108.800 -0.031 0.000 2.160 117 G HA2 -0.253 3.717 3.960 0.016 0.000 0.251 117 G HA3 -0.253 3.717 3.960 0.016 0.000 0.251 117 G C -0.267 174.655 174.900 0.036 0.000 1.008 117 G CA 0.072 45.169 45.100 -0.005 0.000 0.724 117 G HN 0.179 nan 8.290 nan 0.000 0.514 118 V N 1.575 121.525 119.914 0.060 0.000 2.350 118 V HA 0.437 4.567 4.120 0.016 0.000 0.276 118 V C -1.679 174.514 176.094 0.164 0.000 1.028 118 V CA -1.769 60.615 62.300 0.140 0.000 0.860 118 V CB 1.742 33.725 31.823 0.267 0.000 0.990 118 V HN 0.103 nan 8.190 nan 0.000 0.453 119 P HA 0.327 nan 4.420 nan 0.000 0.271 119 P C -0.560 176.844 177.300 0.174 0.000 1.216 119 P CA 0.020 63.217 63.100 0.161 0.000 0.776 119 P CB 0.871 32.632 31.700 0.100 0.000 0.881 120 I N 3.155 123.844 120.570 0.199 0.000 2.498 120 I HA 0.358 4.538 4.170 0.016 0.000 0.290 120 I C -1.218 174.962 176.117 0.105 0.000 1.032 120 I CA -1.083 60.293 61.300 0.127 0.000 1.073 120 I CB 1.037 39.072 38.000 0.059 0.000 1.251 120 I HN 0.093 nan 8.210 nan 0.000 0.426 121 L N 6.877 128.138 121.223 0.064 0.000 2.325 121 L HA 0.653 5.003 4.340 0.016 0.000 0.278 121 L C 0.759 177.539 176.870 -0.150 0.000 1.023 121 L CA -0.746 54.123 54.840 0.047 0.000 0.811 121 L CB 1.433 43.607 42.059 0.192 0.000 1.249 121 L HN 0.622 nan 8.230 nan 0.000 0.431 122 G N 0.721 109.248 108.800 -0.455 0.000 2.621 122 G HA2 0.126 4.096 3.960 0.016 0.000 0.271 122 G HA3 0.126 4.096 3.960 0.016 0.000 0.271 122 G C -0.707 174.313 174.900 0.200 0.000 1.236 122 G CA -0.392 44.404 45.100 -0.507 0.000 0.958 122 G HN 0.589 nan 8.290 nan 0.000 0.512 123 N N -1.016 117.913 118.700 0.381 0.000 2.342 123 N HA 0.423 5.173 4.740 0.016 0.000 0.293 123 N C -1.280 174.476 175.510 0.411 0.000 1.026 123 N CA -0.350 52.938 53.050 0.396 0.000 0.857 123 N CB 2.153 40.682 38.487 0.070 0.000 1.256 123 N HN 0.097 nan 8.380 nan 0.000 0.484 124 V N 4.497 124.601 119.914 0.316 0.000 2.350 124 V HA 0.399 4.529 4.120 0.016 0.000 0.285 124 V C -0.848 175.169 176.094 -0.129 0.000 1.014 124 V CA -0.748 61.547 62.300 -0.008 0.000 0.831 124 V CB 0.618 32.394 31.823 -0.078 0.000 1.000 124 V HN 0.497 nan 8.190 nan 0.000 0.433 125 F N 6.782 126.476 119.950 -0.427 0.000 2.382 125 F HA 0.664 5.201 4.527 0.016 0.000 0.361 125 F C -0.842 174.747 175.800 -0.351 0.000 1.109 125 F CA -2.015 55.785 58.000 -0.335 0.000 1.031 125 F CB 1.002 39.833 39.000 -0.282 0.000 1.234 125 F HN 0.351 nan 8.300 nan 0.000 0.445 126 F N 7.642 127.472 119.950 -0.201 0.000 2.368 126 F HA 0.433 4.970 4.527 0.017 0.000 0.362 126 F C -2.193 173.269 175.800 -0.562 0.000 1.137 126 F CA -2.621 55.233 58.000 -0.243 0.000 1.161 126 F CB 0.160 39.127 39.000 -0.056 0.000 1.265 126 F HN 0.324 nan 8.300 nan 0.000 0.530 127 P HA 0.202 nan 4.420 nan 0.000 0.276 127 P C -2.578 174.680 177.300 -0.069 0.000 1.252 127 P CA -1.634 61.075 63.100 -0.651 0.000 0.802 127 P CB 0.168 31.661 31.700 -0.345 0.000 1.035 128 P HA -0.030 nan 4.420 nan 0.000 0.269 128 P C 1.147 178.492 177.300 0.074 0.000 1.209 128 P CA 0.321 63.502 63.100 0.136 0.000 0.776 128 P CB -0.134 31.698 31.700 0.222 0.000 0.876 129 T N -1.013 113.550 114.554 0.016 0.000 2.803 129 T HA -0.179 4.181 4.350 0.016 0.000 0.269 129 T C 1.695 176.376 174.700 -0.032 0.000 1.052 129 T CA 1.417 63.506 62.100 -0.019 0.000 1.136 129 T CB -1.148 67.696 68.868 -0.041 0.000 0.864 129 T HN 0.146 nan 8.240 nan 0.000 0.467 130 V N 0.111 119.966 119.914 -0.098 0.000 2.490 130 V HA -0.058 4.072 4.120 0.016 0.000 0.250 130 V C 1.083 177.053 176.094 -0.206 0.000 1.061 130 V CA 1.187 63.359 62.300 -0.214 0.000 1.064 130 V CB -0.715 30.893 31.823 -0.359 0.000 0.670 130 V HN 0.694 nan 8.190 nan 0.000 0.461 131 Y N 0.447 120.812 120.300 0.107 0.000 2.811 131 Y HA 0.555 5.115 4.550 0.017 0.000 0.330 131 Y C 1.452 177.437 175.900 0.141 0.000 1.081 131 Y CA -0.425 57.756 58.100 0.135 0.000 1.408 131 Y CB 0.124 38.696 38.460 0.186 0.000 1.235 131 Y HN 0.260 nan 8.280 nan 0.000 0.529 132 G N -0.687 108.233 108.800 0.199 0.000 2.159 132 G HA2 -0.242 3.728 3.960 0.016 0.000 0.256 132 G HA3 -0.242 3.728 3.960 0.016 0.000 0.256 132 G C 0.771 175.743 174.900 0.121 0.000 0.977 132 G CA -0.139 45.061 45.100 0.166 0.000 0.652 132 G HN 0.828 nan 8.290 nan 0.000 0.531 133 G N -0.572 108.288 108.800 0.100 0.000 2.432 133 G HA2 0.465 4.435 3.960 0.016 0.000 0.239 133 G HA3 0.465 4.435 3.960 0.016 0.000 0.239 133 G C -0.111 174.657 174.900 -0.220 0.000 1.291 133 G CA 0.182 45.307 45.100 0.042 0.000 0.863 133 G HN 0.373 nan 8.290 nan 0.000 0.560 134 Q N 1.655 121.178 119.800 -0.462 0.000 2.304 134 Q HA 0.252 4.602 4.340 0.016 0.000 0.270 134 Q C 1.142 176.924 176.000 -0.363 0.000 1.035 134 Q CA -0.745 54.675 55.803 -0.637 0.000 0.781 134 Q CB 2.126 30.065 28.738 -1.333 0.000 1.261 134 Q HN 0.502 nan 8.270 nan 0.000 0.444 135 L N 1.044 122.126 121.223 -0.235 0.000 2.191 135 L HA -0.221 4.129 4.340 0.016 0.000 0.212 135 L C 2.195 178.989 176.870 -0.127 0.000 1.103 135 L CA 1.313 56.065 54.840 -0.147 0.000 0.769 135 L CB 0.030 42.016 42.059 -0.122 0.000 0.908 135 L HN 0.770 nan 8.230 nan 0.000 0.438 136 E N -0.100 119.979 120.200 -0.201 0.000 2.097 136 E HA -0.265 4.095 4.350 0.016 0.000 0.196 136 E C 2.028 178.666 176.600 0.063 0.000 1.000 136 E CA 1.674 58.002 56.400 -0.120 0.000 0.804 136 E CB -0.058 29.518 29.700 -0.207 0.000 0.740 136 E HN 0.450 nan 8.360 nan 0.000 0.454 137 W N 0.375 121.727 121.300 0.087 0.000 2.388 137 W HA -0.111 4.559 4.660 0.017 0.000 0.294 137 W C 2.206 178.835 176.519 0.183 0.000 1.212 137 W CA 0.242 57.696 57.345 0.181 0.000 1.271 137 W CB -1.221 28.407 29.460 0.279 0.000 1.126 137 W HN 0.263 nan 8.180 nan 0.000 0.535 138 L N 1.181 122.529 121.223 0.210 0.000 2.017 138 L HA -0.166 4.184 4.340 0.016 0.000 0.208 138 L C 2.115 178.909 176.870 -0.126 0.000 1.073 138 L CA 2.074 56.760 54.840 -0.256 0.000 0.745 138 L CB -1.109 40.657 42.059 -0.488 0.000 0.894 138 L HN -0.041 nan 8.230 nan 0.000 0.432 139 E N -0.978 119.196 120.200 -0.043 0.000 2.118 139 E HA -0.281 4.079 4.350 0.016 0.000 0.195 139 E C 2.154 178.781 176.600 0.046 0.000 0.992 139 E CA 1.469 57.862 56.400 -0.012 0.000 0.804 139 E CB -0.178 29.516 29.700 -0.011 0.000 0.741 139 E HN 0.640 nan 8.360 nan 0.000 0.458 140 Q N -0.157 119.706 119.800 0.105 0.000 2.061 140 Q HA -0.161 4.189 4.340 0.016 0.000 0.204 140 Q C 2.209 178.292 176.000 0.137 0.000 0.984 140 Q CA 1.283 57.169 55.803 0.138 0.000 0.846 140 Q CB -0.042 28.821 28.738 0.208 0.000 0.902 140 Q HN 0.270 nan 8.270 nan 0.000 0.421 141 M N -0.023 119.661 119.600 0.142 0.000 2.213 141 M HA -0.109 4.381 4.480 0.016 0.000 0.263 141 M C 1.717 178.049 176.300 0.054 0.000 1.062 141 M CA 1.320 56.678 55.300 0.097 0.000 1.105 141 M CB -0.471 32.191 32.600 0.104 0.000 1.385 141 M HN 0.240 nan 8.290 nan 0.000 0.417 142 L N -0.160 121.080 121.223 0.029 0.000 2.611 142 L HA 0.063 4.413 4.340 0.016 0.000 0.229 142 L C 0.509 177.570 176.870 0.318 0.000 1.137 142 L CA -0.318 54.626 54.840 0.173 0.000 0.901 142 L CB -0.204 41.880 42.059 0.040 0.000 1.098 142 L HN 0.118 nan 8.230 nan 0.000 0.456 143 E N 1.992 122.311 120.200 0.197 0.000 2.465 143 E HA -0.021 4.339 4.350 0.016 0.000 0.260 143 E C -0.318 176.254 176.600 -0.046 0.000 0.980 143 E CA 0.497 56.943 56.400 0.076 0.000 0.927 143 E CB 0.966 30.699 29.700 0.055 0.000 0.934 143 E HN 0.237 nan 8.360 nan 0.000 0.459 144 Q N 2.552 122.210 119.800 -0.238 0.000 2.337 144 Q HA 0.134 4.484 4.340 0.016 0.000 0.270 144 Q C -0.461 175.337 176.000 -0.336 0.000 1.043 144 Q CA -0.719 54.746 55.803 -0.563 0.000 0.794 144 Q CB 1.301 29.521 28.738 -0.864 0.000 1.281 144 Q HN 0.320 nan 8.270 nan 0.000 0.446 145 E N 1.785 121.795 120.200 -0.316 0.000 2.435 145 E HA -0.089 4.271 4.350 0.016 0.000 0.254 145 E C 0.467 176.958 176.600 -0.182 0.000 1.289 145 E CA -0.046 56.239 56.400 -0.193 0.000 0.983 145 E CB 0.544 30.155 29.700 -0.149 0.000 1.010 145 E HN 0.736 nan 8.360 nan 0.000 0.509 146 E N 0.882 121.012 120.200 -0.118 0.000 2.338 146 E HA -0.198 4.162 4.350 0.016 0.000 0.197 146 E C 0.888 177.434 176.600 -0.091 0.000 1.007 146 E CA 0.509 56.853 56.400 -0.094 0.000 0.849 146 E CB 0.082 29.744 29.700 -0.063 0.000 0.774 146 E HN 0.357 nan 8.360 nan 0.000 0.506 147 D N 0.521 120.861 120.400 -0.100 0.000 2.170 147 D HA -0.167 4.483 4.640 0.016 0.000 0.193 147 D C 0.751 177.011 176.300 -0.067 0.000 1.004 147 D CA 1.440 55.393 54.000 -0.078 0.000 0.860 147 D CB -0.272 40.481 40.800 -0.078 0.000 0.931 147 D HN 0.204 nan 8.370 nan 0.000 0.448 148 G N 0.905 109.637 108.800 -0.113 0.000 2.770 148 G HA2 0.291 4.261 3.960 0.016 0.000 0.307 148 G HA3 0.291 4.261 3.960 0.016 0.000 0.307 148 G C 0.194 174.853 174.900 -0.402 0.000 0.863 148 G CA -0.259 44.691 45.100 -0.250 0.000 1.595 148 G HN 0.122 nan 8.290 nan 0.000 0.496 149 S N 0.981 116.458 115.700 -0.372 0.000 2.614 149 S HA 0.607 5.087 4.470 0.016 0.000 0.265 149 S C -0.495 173.644 174.600 -0.769 0.000 1.303 149 S CA -0.543 57.316 58.200 -0.569 0.000 1.000 149 S CB 1.063 64.174 63.200 -0.149 0.000 0.935 149 S HN 0.237 nan 8.310 nan 0.000 0.551 150 F N 1.624 121.034 119.950 -0.900 0.000 2.347 150 F HA 0.391 4.928 4.527 0.016 0.000 0.366 150 F C -1.513 174.228 175.800 -0.098 0.000 1.107 150 F CA -2.142 55.653 58.000 -0.341 0.000 1.058 150 F CB 1.912 40.787 39.000 -0.209 0.000 1.236 150 F HN 0.435 nan 8.300 nan 0.000 0.456 151 P HA -0.152 nan 4.420 nan 0.000 0.218 151 P C 1.674 179.058 177.300 0.139 0.000 1.149 151 P CA 1.314 64.471 63.100 0.096 0.000 0.817 151 P CB 0.557 32.285 31.700 0.048 0.000 0.785 152 L N -0.948 120.397 121.223 0.205 0.000 2.217 152 L HA -0.042 4.308 4.340 0.016 0.000 0.211 152 L C 2.620 179.617 176.870 0.212 0.000 1.107 152 L CA 1.081 56.038 54.840 0.195 0.000 0.783 152 L CB -0.848 41.345 42.059 0.223 0.000 0.919 152 L HN -0.055 nan 8.230 nan 0.000 0.442 153 A N -0.107 122.888 122.820 0.291 0.000 1.902 153 A HA -0.226 4.104 4.320 0.016 0.000 0.217 153 A C 1.868 179.498 177.584 0.077 0.000 1.181 153 A CA 1.818 53.878 52.037 0.038 0.000 0.623 153 A CB -0.429 18.478 19.000 -0.154 0.000 0.818 153 A HN 0.317 nan 8.150 nan 0.000 0.443 154 D N -0.009 120.502 120.400 0.185 0.000 2.123 154 D HA -0.132 4.518 4.640 0.016 0.000 0.196 154 D C 1.888 178.227 176.300 0.065 0.000 0.992 154 D CA 1.141 55.224 54.000 0.139 0.000 0.833 154 D CB -0.145 40.748 40.800 0.155 0.000 0.954 154 D HN 0.227 nan 8.370 nan 0.000 0.455 155 K N 0.449 120.872 120.400 0.038 0.000 2.057 155 K HA -0.029 4.301 4.320 0.016 0.000 0.207 155 K C 2.408 178.968 176.600 -0.066 0.000 1.049 155 K CA 0.243 56.522 56.287 -0.012 0.000 0.931 155 K CB -0.581 31.881 32.500 -0.063 0.000 0.714 155 K HN 0.263 nan 8.250 nan 0.000 0.440 156 L N 0.715 121.859 121.223 -0.131 0.000 2.042 156 L HA -0.207 4.142 4.340 0.016 0.000 0.210 156 L C 2.440 179.405 176.870 0.157 0.000 1.076 156 L CA 1.145 55.837 54.840 -0.246 0.000 0.749 156 L CB -0.535 41.111 42.059 -0.689 0.000 0.893 156 L HN 0.109 nan 8.230 nan 0.000 0.432 157 L N -0.704 120.575 121.223 0.094 0.000 2.056 157 L HA -0.179 4.171 4.340 0.016 0.000 0.207 157 L C 2.502 179.431 176.870 0.099 0.000 1.078 157 L CA 1.165 56.081 54.840 0.127 0.000 0.749 157 L CB -0.506 41.581 42.059 0.047 0.000 0.901 157 L HN 0.260 nan 8.230 nan 0.000 0.433 158 E N -0.258 119.997 120.200 0.091 0.000 2.077 158 E HA -0.195 4.165 4.350 0.016 0.000 0.193 158 E C 2.286 178.980 176.600 0.157 0.000 0.989 158 E CA 1.297 57.770 56.400 0.123 0.000 0.800 158 E CB -0.133 29.651 29.700 0.140 0.000 0.746 158 E HN 0.242 nan 8.360 nan 0.000 0.452 159 V N 1.355 121.318 119.914 0.083 0.000 2.295 159 V HA -0.278 3.852 4.120 0.016 0.000 0.246 159 V C 2.330 178.412 176.094 -0.020 0.000 1.049 159 V CA 1.883 64.149 62.300 -0.057 0.000 1.024 159 V CB -0.708 31.076 31.823 -0.064 0.000 0.648 159 V HN 0.341 nan 8.190 nan 0.000 0.447 160 A N 0.019 122.753 122.820 -0.143 0.000 1.933 160 A HA -0.310 4.020 4.320 0.016 0.000 0.218 160 A C 2.028 179.356 177.584 -0.427 0.000 1.175 160 A CA 2.300 53.797 52.037 -0.899 0.000 0.628 160 A CB -0.691 17.880 19.000 -0.716 0.000 0.814 160 A HN 0.640 nan 8.150 nan 0.000 0.444 161 D N -2.136 118.194 120.400 -0.117 0.000 2.097 161 D HA -0.198 4.452 4.640 0.016 0.000 0.197 161 D C 1.778 178.109 176.300 0.052 0.000 0.984 161 D CA 1.543 55.532 54.000 -0.019 0.000 0.826 161 D CB -0.283 40.542 40.800 0.042 0.000 0.973 161 D HN 0.488 nan 8.370 nan 0.000 0.460 162 Y N -0.597 119.709 120.300 0.010 0.000 2.163 162 Y HA -0.193 4.369 4.550 0.019 0.000 0.288 162 Y C 1.642 177.648 175.900 0.176 0.000 1.136 162 Y CA 1.563 59.709 58.100 0.076 0.000 1.147 162 Y CB -0.360 38.177 38.460 0.127 0.000 0.987 162 Y HN 0.041 nan 8.280 nan 0.000 0.509 163 Y N 0.125 120.540 120.300 0.192 0.000 2.395 163 Y HA 0.204 4.763 4.550 0.015 0.000 0.293 163 Y C 1.869 177.797 175.900 0.046 0.000 1.123 163 Y CA 0.447 58.631 58.100 0.140 0.000 1.227 163 Y CB -0.656 38.046 38.460 0.404 0.000 1.012 163 Y HN 0.230 nan 8.280 nan 0.000 0.552 164 G N 0.528 109.408 108.800 0.133 0.000 2.414 164 G HA2 -0.211 3.759 3.960 0.016 0.000 0.256 164 G HA3 -0.211 3.759 3.960 0.016 0.000 0.256 164 G C -0.282 174.746 174.900 0.212 0.000 1.128 164 G CA 0.101 45.251 45.100 0.084 0.000 0.944 164 G HN 0.374 nan 8.290 nan 0.000 0.500 165 F N -2.365 117.617 119.950 0.054 0.000 2.740 165 F HA 0.841 5.377 4.527 0.016 0.000 0.357 165 F C 0.246 176.056 175.800 0.016 0.000 1.141 165 F CA -1.270 56.741 58.000 0.017 0.000 1.044 165 F CB 0.835 39.751 39.000 -0.140 0.000 1.430 165 F HN -0.108 nan 8.300 nan 0.000 0.518 166 D N -0.307 120.226 120.400 0.221 0.000 2.440 166 D HA 0.435 5.085 4.640 0.016 0.000 0.216 166 D C 0.624 176.993 176.300 0.116 0.000 1.150 166 D CA 0.695 54.773 54.000 0.129 0.000 0.832 166 D CB 1.042 41.955 40.800 0.188 0.000 0.992 166 D HN 0.974 nan 8.370 nan 0.000 0.502 167 G N 0.387 109.209 108.800 0.037 0.000 2.302 167 G HA2 0.117 4.087 3.960 0.016 0.000 0.264 167 G HA3 0.117 4.087 3.960 0.016 0.000 0.264 167 G C -2.088 172.747 174.900 -0.107 0.000 1.335 167 G CA -1.069 44.074 45.100 0.072 0.000 0.982 167 G HN 0.092 nan 8.290 nan 0.000 0.473 168 W N -0.942 120.587 121.300 0.381 0.000 3.127 168 W HA 0.657 5.328 4.660 0.018 0.000 0.330 168 W C -1.061 175.717 176.519 0.433 0.000 1.187 168 W CA -0.797 56.787 57.345 0.398 0.000 1.198 168 W CB 1.995 31.659 29.460 0.339 0.000 1.408 168 W HN 0.523 nan 8.180 nan 0.000 0.529 169 F N 5.083 125.344 119.950 0.517 0.000 2.388 169 F HA 0.622 5.159 4.527 0.016 0.000 0.358 169 F C -0.674 175.359 175.800 0.388 0.000 1.122 169 F CA -0.854 57.386 58.000 0.401 0.000 1.056 169 F CB 0.458 39.629 39.000 0.286 0.000 1.155 169 F HN 0.031 nan 8.300 nan 0.000 0.461 170 I N 5.775 126.328 120.570 -0.028 0.000 2.330 170 I HA 0.248 4.428 4.170 0.016 0.000 0.289 170 I C -0.725 175.230 176.117 -0.270 0.000 1.001 170 I CA -0.557 60.788 61.300 0.076 0.000 1.193 170 I CB 1.134 39.389 38.000 0.426 0.000 1.345 170 I HN 0.567 nan 8.210 nan 0.000 0.461 171 N N 5.861 124.481 118.700 -0.132 0.000 2.623 171 N HA 0.107 4.857 4.740 0.016 0.000 0.256 171 N C -0.742 174.816 175.510 0.080 0.000 1.045 171 N CA -0.316 52.646 53.050 -0.146 0.000 0.863 171 N CB 1.158 39.701 38.487 0.092 0.000 1.182 171 N HN 0.356 nan 8.380 nan 0.000 0.523 172 Q N 2.422 122.163 119.800 -0.098 0.000 2.456 172 Q HA 0.252 4.602 4.340 0.016 0.000 0.234 172 Q C -0.469 175.545 176.000 0.023 0.000 1.061 172 Q CA -0.022 55.836 55.803 0.091 0.000 0.896 172 Q CB 0.716 29.454 28.738 -0.001 0.000 1.233 172 Q HN 0.562 nan 8.270 nan 0.000 0.506 173 Q N 1.488 121.351 119.800 0.104 0.000 2.194 173 Q HA 0.171 4.521 4.340 0.016 0.000 0.214 173 Q C -0.364 175.682 176.000 0.076 0.000 0.838 173 Q CA 0.070 55.945 55.803 0.120 0.000 0.972 173 Q CB 1.059 29.940 28.738 0.238 0.000 1.131 173 Q HN 0.406 nan 8.270 nan 0.000 0.498 174 T N 2.147 116.723 114.554 0.037 0.000 2.780 174 T HA 0.253 4.613 4.350 0.016 0.000 0.294 174 T C 0.134 174.811 174.700 -0.039 0.000 0.949 174 T CA -0.247 61.855 62.100 0.003 0.000 1.074 174 T CB 0.995 69.863 68.868 -0.000 0.000 0.910 174 T HN 0.025 nan 8.240 nan 0.000 0.501 175 E N 0.992 121.168 120.200 -0.039 0.000 2.371 175 E HA 0.510 4.870 4.350 0.016 0.000 0.257 175 E C 1.379 177.941 176.600 -0.064 0.000 1.134 175 E CA 0.388 56.753 56.400 -0.059 0.000 0.919 175 E CB 0.347 30.019 29.700 -0.048 0.000 1.025 175 E HN 0.824 nan 8.360 nan 0.000 0.438 176 G N -0.017 108.745 108.800 -0.064 0.000 2.175 176 G HA2 -0.239 3.731 3.960 0.016 0.000 0.244 176 G HA3 -0.239 3.731 3.960 0.016 0.000 0.244 176 G C 0.362 175.229 174.900 -0.056 0.000 0.982 176 G CA -0.149 44.917 45.100 -0.058 0.000 0.641 176 G HN 0.789 nan 8.290 nan 0.000 0.527 177 A N 0.812 123.596 122.820 -0.059 0.000 2.477 177 A HA 0.534 4.864 4.320 0.016 0.000 0.246 177 A C 0.641 178.206 177.584 -0.031 0.000 1.078 177 A CA 0.808 52.814 52.037 -0.051 0.000 0.770 177 A CB 0.186 19.154 19.000 -0.053 0.000 1.011 177 A HN 0.869 nan 8.150 nan 0.000 0.494 178 D N 0.818 121.203 120.400 -0.025 0.000 2.478 178 D HA 0.169 4.819 4.640 0.016 0.000 0.263 178 D C 0.792 177.092 176.300 -0.001 0.000 1.153 178 D CA -0.381 53.610 54.000 -0.015 0.000 1.038 178 D CB 0.357 41.147 40.800 -0.018 0.000 1.120 178 D HN 0.599 nan 8.370 nan 0.000 0.564 179 E N -0.506 119.695 120.200 0.002 0.000 2.153 179 E HA -0.115 4.245 4.350 0.016 0.000 0.194 179 E C 2.008 178.613 176.600 0.008 0.000 0.988 179 E CA 1.350 57.756 56.400 0.010 0.000 0.811 179 E CB -0.599 29.104 29.700 0.004 0.000 0.746 179 E HN 0.642 nan 8.360 nan 0.000 0.466 180 G N -0.378 108.423 108.800 0.002 0.000 2.422 180 G HA2 -0.261 3.709 3.960 0.016 0.000 0.218 180 G HA3 -0.261 3.709 3.960 0.016 0.000 0.218 180 G C 1.601 176.507 174.900 0.010 0.000 1.146 180 G CA 1.271 46.373 45.100 0.003 0.000 0.769 180 G HN 0.268 nan 8.290 nan 0.000 0.547 181 T N 1.553 116.109 114.554 0.005 0.000 2.812 181 T HA 0.105 4.465 4.350 0.016 0.000 0.264 181 T C 2.841 177.557 174.700 0.027 0.000 1.042 181 T CA 1.272 63.372 62.100 -0.000 0.000 1.140 181 T CB -0.341 68.510 68.868 -0.029 0.000 0.870 181 T HN 0.365 nan 8.240 nan 0.000 0.445 182 A N 1.856 124.708 122.820 0.053 0.000 1.892 182 A HA -0.215 4.114 4.320 0.016 0.000 0.218 182 A C 2.190 179.800 177.584 0.043 0.000 1.188 182 A CA 1.968 54.076 52.037 0.118 0.000 0.631 182 A CB -0.671 18.413 19.000 0.139 0.000 0.822 182 A HN 0.573 nan 8.150 nan 0.000 0.447 183 E N -0.516 119.686 120.200 0.003 0.000 2.106 183 E HA -0.051 4.309 4.350 0.016 0.000 0.192 183 E C 2.289 178.898 176.600 0.014 0.000 0.984 183 E CA 0.917 57.301 56.400 -0.027 0.000 0.806 183 E CB -0.277 29.415 29.700 -0.014 0.000 0.750 183 E HN 0.633 nan 8.360 nan 0.000 0.458 184 A N 0.932 123.785 122.820 0.055 0.000 1.898 184 A HA -0.201 4.129 4.320 0.016 0.000 0.216 184 A C 2.121 179.764 177.584 0.098 0.000 1.181 184 A CA 1.516 53.631 52.037 0.130 0.000 0.620 184 A CB -0.415 18.661 19.000 0.127 0.000 0.819 184 A HN 0.226 nan 8.150 nan 0.000 0.442 185 M N 0.060 119.685 119.600 0.041 0.000 2.117 185 M HA -0.203 4.287 4.480 0.016 0.000 0.262 185 M C 2.032 178.341 176.300 0.015 0.000 1.065 185 M CA 2.060 57.380 55.300 0.033 0.000 1.114 185 M CB -0.710 31.952 32.600 0.104 0.000 1.361 185 M HN 0.513 nan 8.290 nan 0.000 0.408 186 Q N -0.423 119.327 119.800 -0.083 0.000 2.124 186 Q HA -0.105 4.244 4.340 0.016 0.000 0.202 186 Q C 2.137 178.084 176.000 -0.088 0.000 0.977 186 Q CA 1.813 57.497 55.803 -0.199 0.000 0.850 186 Q CB -0.472 28.060 28.738 -0.344 0.000 0.901 186 Q HN 0.719 nan 8.270 nan 0.000 0.429 187 A N 0.371 123.184 122.820 -0.013 0.000 1.898 187 A HA -0.180 4.150 4.320 0.016 0.000 0.216 187 A C 1.860 179.350 177.584 -0.158 0.000 1.181 187 A CA 1.029 53.105 52.037 0.066 0.000 0.620 187 A CB -0.741 18.440 19.000 0.302 0.000 0.819 187 A HN 0.470 nan 8.150 nan 0.000 0.442 188 F N 0.694 120.242 119.950 -0.671 0.000 2.102 188 F HA -0.159 4.378 4.527 0.017 0.000 0.298 188 F C 1.899 177.471 175.800 -0.380 0.000 1.105 188 F CA 1.865 59.211 58.000 -1.089 0.000 1.239 188 F CB -0.251 38.287 39.000 -0.770 0.000 0.991 188 F HN 0.144 nan 8.300 nan 0.000 0.474 189 L N -0.496 120.719 121.223 -0.013 0.000 2.046 189 L HA -0.235 4.115 4.340 0.016 0.000 0.208 189 L C 2.379 179.199 176.870 -0.083 0.000 1.077 189 L CA 1.081 55.908 54.840 -0.023 0.000 0.747 189 L CB -0.947 41.124 42.059 0.020 0.000 0.896 189 L HN 0.043 nan 8.230 nan 0.000 0.432 190 V N -1.081 118.794 119.914 -0.065 0.000 2.407 190 V HA -0.323 3.807 4.120 0.016 0.000 0.248 190 V C 2.237 178.329 176.094 -0.003 0.000 1.055 190 V CA 1.738 64.022 62.300 -0.027 0.000 1.049 190 V CB -0.650 31.174 31.823 0.000 0.000 0.662 190 V HN 0.402 nan 8.190 nan 0.000 0.455 191 Y N 0.505 120.720 120.300 -0.142 0.000 2.181 191 Y HA -0.228 4.332 4.550 0.017 0.000 0.288 191 Y C 2.190 177.999 175.900 -0.152 0.000 1.146 191 Y CA 1.605 59.644 58.100 -0.101 0.000 1.164 191 Y CB -0.320 38.098 38.460 -0.070 0.000 0.982 191 Y HN 0.153 nan 8.280 nan 0.000 0.515 192 L N -0.185 120.881 121.223 -0.262 0.000 2.012 192 L HA -0.299 4.051 4.340 0.016 0.000 0.210 192 L C 2.620 179.382 176.870 -0.180 0.000 1.073 192 L CA 1.482 56.160 54.840 -0.271 0.000 0.748 192 L CB -0.685 41.247 42.059 -0.213 0.000 0.891 192 L HN 0.245 nan 8.230 nan 0.000 0.431 193 Q N 0.003 119.733 119.800 -0.117 0.000 2.135 193 Q HA -0.241 4.109 4.340 0.016 0.000 0.204 193 Q C 2.063 178.006 176.000 -0.094 0.000 0.981 193 Q CA 1.607 57.366 55.803 -0.074 0.000 0.856 193 Q CB -0.222 28.490 28.738 -0.044 0.000 0.902 193 Q HN 0.611 nan 8.270 nan 0.000 0.425 194 E N -0.290 119.828 120.200 -0.137 0.000 2.158 194 E HA -0.107 4.253 4.350 0.016 0.000 0.191 194 E C 1.871 178.363 176.600 -0.180 0.000 0.982 194 E CA 0.541 56.862 56.400 -0.131 0.000 0.823 194 E CB 0.287 29.924 29.700 -0.104 0.000 0.766 194 E HN 0.244 nan 8.360 nan 0.000 0.468 195 Q N 0.545 120.169 119.800 -0.294 0.000 2.392 195 Q HA 0.040 4.390 4.340 0.016 0.000 0.219 195 Q C 0.421 176.320 176.000 -0.168 0.000 0.895 195 Q CA 0.255 55.880 55.803 -0.297 0.000 0.929 195 Q CB 0.317 28.717 28.738 -0.564 0.000 1.077 195 Q HN 0.225 nan 8.270 nan 0.000 0.532 196 K N 2.336 122.656 120.400 -0.132 0.000 2.319 196 K HA 0.234 4.564 4.320 0.016 0.000 0.265 196 K C -2.213 174.370 176.600 -0.029 0.000 1.000 196 K CA -1.231 55.025 56.287 -0.053 0.000 0.943 196 K CB -0.122 32.372 32.500 -0.011 0.000 0.950 196 K HN -0.220 nan 8.250 nan 0.000 0.485 197 P HA -0.055 nan 4.420 nan 0.000 0.272 197 P C -0.579 176.728 177.300 0.011 0.000 1.223 197 P CA -0.301 62.798 63.100 -0.001 0.000 0.784 197 P CB 0.711 32.412 31.700 0.003 0.000 0.923 198 E N 0.216 120.422 120.200 0.011 0.000 2.413 198 E HA 0.314 4.674 4.350 0.016 0.000 0.263 198 E C 1.423 178.043 176.600 0.033 0.000 1.015 198 E CA 0.850 57.263 56.400 0.022 0.000 0.916 198 E CB -0.469 29.242 29.700 0.018 0.000 0.947 198 E HN 0.865 nan 8.360 nan 0.000 0.440 199 G N 3.152 111.982 108.800 0.050 0.000 2.268 199 G HA2 -0.337 3.633 3.960 0.016 0.000 0.240 199 G HA3 -0.337 3.633 3.960 0.016 0.000 0.240 199 G C 0.520 175.478 174.900 0.096 0.000 1.010 199 G CA 0.330 45.470 45.100 0.066 0.000 0.618 199 G HN 0.800 nan 8.290 nan 0.000 0.516 200 M N 1.867 121.518 119.600 0.087 0.000 2.238 200 M HA 0.503 4.993 4.480 0.016 0.000 0.347 200 M C -0.004 176.402 176.300 0.178 0.000 1.173 200 M CA -0.297 55.077 55.300 0.122 0.000 1.147 200 M CB 0.493 33.148 32.600 0.093 0.000 1.547 200 M HN 0.296 nan 8.290 nan 0.000 0.455 201 H N 5.934 125.087 119.070 0.139 0.000 2.547 201 H HA 0.420 4.985 4.556 0.016 0.000 0.342 201 H C -1.603 173.864 175.328 0.232 0.000 1.048 201 H CA -0.658 55.495 56.048 0.174 0.000 1.204 201 H CB 1.112 30.977 29.762 0.173 0.000 1.493 201 H HN 0.578 nan 8.280 nan 0.000 0.511 202 I N 6.274 126.896 120.570 0.086 0.000 2.362 202 I HA 0.229 4.409 4.170 0.016 0.000 0.289 202 I C 0.257 176.544 176.117 0.284 0.000 0.994 202 I CA -0.520 60.947 61.300 0.278 0.000 1.158 202 I CB 1.305 39.439 38.000 0.223 0.000 1.315 202 I HN 0.550 nan 8.210 nan 0.000 0.451 203 M N 7.023 126.919 119.600 0.493 0.000 2.336 203 M HA 0.395 4.884 4.480 0.016 0.000 0.342 203 M C -1.535 174.980 176.300 0.357 0.000 1.128 203 M CA -0.431 55.168 55.300 0.500 0.000 1.016 203 M CB 2.359 35.348 32.600 0.649 0.000 1.665 203 M HN 0.708 nan 8.290 nan 0.000 0.445 204 W N 5.699 127.088 121.300 0.149 0.000 2.573 204 W HA 0.334 5.003 4.660 0.016 0.000 0.326 204 W C -2.222 174.336 176.519 0.065 0.000 1.049 204 W CA -0.848 56.535 57.345 0.064 0.000 1.220 204 W CB 0.933 30.478 29.460 0.142 0.000 1.373 204 W HN 0.719 nan 8.180 nan 0.000 0.507 205 Y N 4.996 124.779 120.300 -0.863 0.000 2.316 205 Y HA 0.028 4.588 4.550 0.016 0.000 0.331 205 Y C 0.703 176.183 175.900 -0.701 0.000 1.083 205 Y CA 0.264 58.026 58.100 -0.563 0.000 1.206 205 Y CB 0.590 38.789 38.460 -0.435 0.000 1.195 205 Y HN 0.438 nan 8.280 nan 0.000 0.497 206 D N 3.532 123.786 120.400 -0.243 0.000 2.426 206 D HA 0.025 4.674 4.640 0.016 0.000 0.271 206 D C -0.003 176.495 176.300 0.330 0.000 1.376 206 D CA 0.971 55.009 54.000 0.063 0.000 1.149 206 D CB 0.104 40.914 40.800 0.016 0.000 1.118 206 D HN 0.615 nan 8.370 nan 0.000 0.529 207 S N 3.135 118.929 115.700 0.157 0.000 4.640 207 S HA 0.119 4.599 4.470 0.016 0.000 0.157 207 S C 0.653 175.177 174.600 -0.127 0.000 0.963 207 S CA -0.681 57.552 58.200 0.054 0.000 1.235 207 S CB -0.382 62.866 63.200 0.081 0.000 1.848 207 S HN 0.378 nan 8.310 nan 0.000 0.751 208 M N 3.553 123.101 119.600 -0.086 0.000 2.227 208 M HA 0.402 4.892 4.480 0.016 0.000 0.349 208 M C -0.205 176.089 176.300 -0.010 0.000 1.443 208 M CA -0.550 54.725 55.300 -0.042 0.000 1.110 208 M CB 0.207 32.834 32.600 0.044 0.000 1.773 208 M HN 0.620 nan 8.290 nan 0.000 0.463 209 I N 1.990 122.597 120.570 0.061 0.000 3.640 209 I HA 0.344 4.524 4.170 0.016 0.000 0.288 209 I C 0.934 177.246 176.117 0.326 0.000 1.248 209 I CA -0.808 60.611 61.300 0.199 0.000 0.911 209 I CB 0.349 38.419 38.000 0.115 0.000 1.533 209 I HN 0.704 nan 8.210 nan 0.000 0.686 210 D N -0.033 120.534 120.400 0.279 0.000 2.221 210 D HA -0.238 4.412 4.640 0.016 0.000 0.204 210 D C 1.750 178.110 176.300 0.100 0.000 0.982 210 D CA 2.065 56.163 54.000 0.164 0.000 0.857 210 D CB -1.111 39.728 40.800 0.065 0.000 0.934 210 D HN 0.854 nan 8.370 nan 0.000 0.475 211 T N -4.671 109.931 114.554 0.081 0.000 3.113 211 T HA 0.362 4.722 4.350 0.016 0.000 0.256 211 T C 1.803 176.527 174.700 0.040 0.000 1.131 211 T CA 0.796 62.922 62.100 0.042 0.000 1.074 211 T CB -0.006 68.875 68.868 0.021 0.000 0.944 211 T HN 0.446 nan 8.240 nan 0.000 0.516 212 G N 1.154 109.996 108.800 0.070 0.000 2.234 212 G HA2 -0.070 3.900 3.960 0.016 0.000 0.235 212 G HA3 -0.070 3.900 3.960 0.016 0.000 0.235 212 G C 0.388 175.285 174.900 -0.005 0.000 0.997 212 G CA -0.111 45.016 45.100 0.045 0.000 0.623 212 G HN 1.198 nan 8.290 nan 0.000 0.514 213 A N 1.147 123.953 122.820 -0.023 0.000 2.445 213 A HA 0.579 4.909 4.320 0.016 0.000 0.242 213 A C 0.677 178.176 177.584 -0.141 0.000 1.075 213 A CA 0.035 52.026 52.037 -0.077 0.000 0.777 213 A CB 0.179 19.135 19.000 -0.072 0.000 1.013 213 A HN 0.644 nan 8.150 nan 0.000 0.493 214 I N 1.609 122.039 120.570 -0.233 0.000 2.347 214 I HA 0.328 4.508 4.170 0.016 0.000 0.294 214 I C 0.715 176.454 176.117 -0.630 0.000 1.090 214 I CA 0.446 61.477 61.300 -0.448 0.000 1.314 214 I CB -0.144 37.552 38.000 -0.506 0.000 1.423 214 I HN 0.620 nan 8.210 nan 0.000 0.503 215 A N 8.607 131.109 122.820 -0.531 0.000 2.984 215 A HA 0.361 4.691 4.320 0.016 0.000 0.320 215 A C -0.515 176.972 177.584 -0.163 0.000 1.142 215 A CA -0.706 51.112 52.037 -0.364 0.000 0.772 215 A CB 0.290 19.213 19.000 -0.128 0.000 1.195 215 A HN 0.595 nan 8.150 nan 0.000 0.459 216 W N 1.714 123.083 121.300 0.114 0.000 2.343 216 W HA 0.039 4.709 4.660 0.016 0.000 0.337 216 W C 0.397 176.998 176.519 0.137 0.000 1.320 216 W CA -0.083 57.349 57.345 0.144 0.000 1.290 216 W CB 0.233 29.807 29.460 0.190 0.000 1.206 216 W HN 0.652 nan 8.180 nan 0.000 0.565 217 Q N 1.759 121.752 119.800 0.322 0.000 2.339 217 Q HA -0.092 4.258 4.340 0.016 0.000 0.205 217 Q C 0.947 177.104 176.000 0.261 0.000 0.925 217 Q CA 0.562 56.523 55.803 0.264 0.000 0.898 217 Q CB 0.000 28.869 28.738 0.218 0.000 1.013 217 Q HN 0.555 nan 8.270 nan 0.000 0.504 218 N N 0.123 118.924 118.700 0.169 0.000 2.863 218 N HA -0.186 4.563 4.740 0.016 0.000 0.245 218 N C -0.625 174.597 175.510 -0.479 0.000 1.001 218 N CA 1.357 54.388 53.050 -0.031 0.000 0.901 218 N CB -1.171 37.370 38.487 0.090 0.000 1.124 218 N HN 0.463 nan 8.380 nan 0.000 0.582 219 H N -1.436 117.659 119.070 0.041 0.000 2.981 219 H HA 0.516 5.082 4.556 0.016 0.000 0.327 219 H C -0.725 174.600 175.328 -0.005 0.000 1.342 219 H CA -0.843 55.182 56.048 -0.038 0.000 1.123 219 H CB 0.760 30.510 29.762 -0.020 0.000 1.851 219 H HN -0.002 nan 8.280 nan 0.000 0.531 220 L N 2.282 123.567 121.223 0.103 0.000 2.361 220 L HA 0.438 4.788 4.340 0.016 0.000 0.278 220 L C 0.001 176.925 176.870 0.090 0.000 1.113 220 L CA 0.520 55.412 54.840 0.088 0.000 0.849 220 L CB -0.197 41.885 42.059 0.038 0.000 1.155 220 L HN 0.887 nan 8.230 nan 0.000 0.452 221 T N -0.421 114.195 114.554 0.103 0.000 2.838 221 T HA 0.372 4.732 4.350 0.016 0.000 0.292 221 T C 0.519 175.261 174.700 0.070 0.000 1.113 221 T CA -0.640 61.505 62.100 0.075 0.000 1.008 221 T CB 0.948 69.871 68.868 0.092 0.000 1.259 221 T HN 0.443 nan 8.240 nan 0.000 0.520 222 D N -0.094 120.334 120.400 0.047 0.000 2.265 222 D HA -0.045 4.605 4.640 0.016 0.000 0.208 222 D C 1.908 178.245 176.300 0.062 0.000 0.977 222 D CA 0.757 54.782 54.000 0.041 0.000 0.871 222 D CB 0.052 40.867 40.800 0.025 0.000 0.925 222 D HN 0.355 nan 8.370 nan 0.000 0.485 223 R N 0.510 121.061 120.500 0.087 0.000 2.240 223 R HA 0.017 4.367 4.340 0.016 0.000 0.203 223 R C 1.046 177.456 176.300 0.182 0.000 1.011 223 R CA 0.632 56.798 56.100 0.111 0.000 1.007 223 R CB -0.104 30.256 30.300 0.101 0.000 0.911 223 R HN 0.337 nan 8.270 nan 0.000 0.468 224 N N -0.071 118.751 118.700 0.204 0.000 2.143 224 N HA -0.058 4.692 4.740 0.016 0.000 0.222 224 N C 1.068 176.753 175.510 0.292 0.000 1.264 224 N CA 0.011 53.261 53.050 0.332 0.000 0.897 224 N CB -0.082 38.597 38.487 0.321 0.000 1.092 224 N HN 0.127 nan 8.380 nan 0.000 0.516 225 K N 0.897 121.389 120.400 0.153 0.000 2.280 225 K HA -0.059 4.270 4.320 0.016 0.000 0.202 225 K C 1.582 178.197 176.600 0.025 0.000 1.047 225 K CA 1.207 57.549 56.287 0.091 0.000 0.942 225 K CB -0.342 32.187 32.500 0.049 0.000 0.739 225 K HN 0.206 nan 8.250 nan 0.000 0.457 226 M N -0.522 119.051 119.600 -0.046 0.000 2.619 226 M HA 0.004 4.494 4.480 0.016 0.000 0.251 226 M C 0.320 176.377 176.300 -0.406 0.000 1.106 226 M CA 1.217 56.386 55.300 -0.219 0.000 1.086 226 M CB -0.889 31.541 32.600 -0.284 0.000 1.465 226 M HN 0.065 nan 8.290 nan 0.000 0.506 227 Y N 0.184 120.358 120.300 -0.209 0.000 2.490 227 Y HA 0.173 4.733 4.550 0.016 0.000 0.281 227 Y C 1.949 177.691 175.900 -0.263 0.000 1.174 227 Y CA 0.249 58.079 58.100 -0.449 0.000 1.295 227 Y CB 0.017 37.897 38.460 -0.967 0.000 1.062 227 Y HN 0.291 nan 8.280 nan 0.000 0.522 228 L N -0.824 120.403 121.223 0.007 0.000 2.519 228 L HA 0.297 4.647 4.340 0.016 0.000 0.194 228 L C -0.203 176.673 176.870 0.010 0.000 1.072 228 L CA 0.780 55.651 54.840 0.051 0.000 0.845 228 L CB 0.490 42.612 42.059 0.104 0.000 1.138 228 L HN 0.022 nan 8.230 nan 0.000 0.487 229 Q N 0.146 119.941 119.800 -0.009 0.000 2.268 229 Q HA 0.369 4.719 4.340 0.016 0.000 0.266 229 Q C -1.656 174.321 176.000 -0.038 0.000 1.006 229 Q CA -0.277 55.516 55.803 -0.017 0.000 0.824 229 Q CB 1.199 29.939 28.738 0.004 0.000 1.306 229 Q HN 0.161 nan 8.270 nan 0.000 0.424 230 N N 2.879 121.550 118.700 -0.048 0.000 2.626 230 N HA 0.480 5.230 4.740 0.016 0.000 0.249 230 N C 0.382 175.871 175.510 -0.035 0.000 1.021 230 N CA 1.089 54.105 53.050 -0.056 0.000 0.886 230 N CB 0.946 39.382 38.487 -0.085 0.000 1.149 230 N HN 0.882 nan 8.380 nan 0.000 0.517 231 G N 2.906 111.691 108.800 -0.026 0.000 2.665 231 G HA2 -0.390 3.579 3.960 0.016 0.000 0.326 231 G HA3 -0.390 3.579 3.960 0.016 0.000 0.326 231 G C 0.844 175.737 174.900 -0.012 0.000 1.231 231 G CA 1.044 46.134 45.100 -0.017 0.000 0.992 231 G HN 0.930 nan 8.290 nan 0.000 0.549 232 S N -0.671 115.023 115.700 -0.009 0.000 2.593 232 S HA 0.379 4.859 4.470 0.016 0.000 0.217 232 S C 0.832 175.428 174.600 -0.006 0.000 0.966 232 S CA 1.323 59.521 58.200 -0.004 0.000 0.914 232 S CB 0.264 63.462 63.200 -0.002 0.000 0.776 232 S HN 0.848 nan 8.310 nan 0.000 0.523 233 T N 3.313 117.859 114.554 -0.013 0.000 2.728 233 T HA 0.316 4.676 4.350 0.016 0.000 0.296 233 T C -0.162 174.527 174.700 -0.018 0.000 0.940 233 T CA -0.507 61.584 62.100 -0.015 0.000 1.013 233 T CB 0.884 69.739 68.868 -0.021 0.000 0.912 233 T HN 0.327 nan 8.240 nan 0.000 0.484 234 R N 3.268 123.762 120.500 -0.011 0.000 2.347 234 R HA 0.303 4.653 4.340 0.016 0.000 0.304 234 R C 0.381 176.668 176.300 -0.021 0.000 1.072 234 R CA -0.142 55.953 56.100 -0.008 0.000 0.980 234 R CB 0.309 30.609 30.300 0.001 0.000 0.986 234 R HN 0.481 nan 8.270 nan 0.000 0.448 235 V N 3.325 123.223 119.914 -0.027 0.000 2.922 235 V HA 0.308 4.438 4.120 0.016 0.000 0.242 235 V C 0.401 176.486 176.094 -0.016 0.000 1.094 235 V CA 1.130 63.401 62.300 -0.049 0.000 1.106 235 V CB 0.463 32.221 31.823 -0.107 0.000 0.799 235 V HN 0.870 nan 8.190 nan 0.000 0.474 236 A N -0.820 122.011 122.820 0.018 0.000 2.594 236 A HA 0.520 4.850 4.320 0.016 0.000 0.291 236 A C -0.140 177.469 177.584 0.042 0.000 1.105 236 A CA -0.267 51.807 52.037 0.062 0.000 0.694 236 A CB 1.048 20.138 19.000 0.150 0.000 1.291 236 A HN 0.095 nan 8.150 nan 0.000 0.410 237 D N 0.253 120.633 120.400 -0.034 0.000 2.289 237 D HA 0.083 4.733 4.640 0.016 0.000 0.207 237 D C 0.642 176.977 176.300 0.058 0.000 0.966 237 D CA 1.900 55.819 54.000 -0.136 0.000 0.868 237 D CB 0.298 40.719 40.800 -0.631 0.000 0.943 237 D HN 0.704 nan 8.370 nan 0.000 0.514 238 S N -0.884 114.937 115.700 0.200 0.000 2.587 238 S HA 0.534 5.014 4.470 0.016 0.000 0.269 238 S C -1.003 173.855 174.600 0.430 0.000 1.154 238 S CA -1.032 57.423 58.200 0.426 0.000 0.824 238 S CB 2.589 66.210 63.200 0.701 0.000 1.118 238 S HN 0.012 nan 8.310 nan 0.000 0.462 239 M N 2.082 121.945 119.600 0.438 0.000 2.326 239 M HA 0.611 5.101 4.480 0.016 0.000 0.306 239 M C -2.079 174.443 176.300 0.370 0.000 1.054 239 M CA -0.812 54.728 55.300 0.400 0.000 0.922 239 M CB 1.580 34.377 32.600 0.328 0.000 1.632 239 M HN 0.817 nan 8.290 nan 0.000 0.436 240 F N 6.050 126.081 119.950 0.134 0.000 2.404 240 F HA 0.471 5.007 4.527 0.016 0.000 0.358 240 F C -1.132 174.492 175.800 -0.293 0.000 1.120 240 F CA -0.535 57.469 58.000 0.006 0.000 1.144 240 F CB 0.575 39.609 39.000 0.057 0.000 1.133 240 F HN 0.447 nan 8.300 nan 0.000 0.495 241 L N 6.267 127.212 121.223 -0.464 0.000 2.349 241 L HA 0.186 4.536 4.340 0.016 0.000 0.275 241 L C 0.799 177.379 176.870 -0.484 0.000 1.115 241 L CA -0.401 54.205 54.840 -0.390 0.000 0.820 241 L CB 0.451 42.283 42.059 -0.378 0.000 1.135 241 L HN 0.673 nan 8.230 nan 0.000 0.445 242 N N 1.152 119.676 118.700 -0.293 0.000 2.297 242 N HA -0.008 4.742 4.740 0.016 0.000 0.232 242 N C 0.448 175.831 175.510 -0.211 0.000 1.311 242 N CA -0.168 52.691 53.050 -0.319 0.000 0.897 242 N CB 0.633 39.174 38.487 0.090 0.000 1.137 242 N HN 0.377 nan 8.380 nan 0.000 0.449 243 F N -0.192 119.802 119.950 0.073 0.000 2.661 243 F HA 0.113 4.650 4.527 0.016 0.000 0.298 243 F C 0.510 175.959 175.800 -0.585 0.000 1.137 243 F CA -0.042 57.785 58.000 -0.289 0.000 1.454 243 F CB -0.183 38.441 39.000 -0.626 0.000 1.103 243 F HN 0.395 nan 8.300 nan 0.000 0.577 244 W N 2.582 123.914 121.300 0.052 0.000 1.611 244 W HA 0.220 4.890 4.660 0.017 0.000 0.395 244 W C 0.001 176.525 176.519 0.009 0.000 0.698 244 W CA -1.094 56.230 57.345 -0.034 0.000 1.845 244 W CB -0.535 28.940 29.460 0.025 0.000 1.818 244 W HN 0.007 nan 8.180 nan 0.000 0.270 245 W N -0.777 120.509 121.300 -0.023 0.000 2.962 245 W HA 0.616 5.285 4.660 0.016 0.000 0.341 245 W C -0.020 176.478 176.519 -0.035 0.000 1.155 245 W CA -1.274 56.032 57.345 -0.065 0.000 1.165 245 W CB 0.710 29.995 29.460 -0.291 0.000 1.435 245 W HN -0.308 nan 8.180 nan 0.000 0.546 246 R N -0.382 120.342 120.500 0.372 0.000 2.453 246 R HA 0.147 4.497 4.340 0.016 0.000 0.233 246 R C -0.834 175.715 176.300 0.415 0.000 0.895 246 R CA 0.289 56.533 56.100 0.239 0.000 1.028 246 R CB 0.203 30.569 30.300 0.110 0.000 1.255 246 R HN 0.625 nan 8.270 nan 0.000 0.571 247 D N -0.798 119.877 120.400 0.458 0.000 2.947 247 D HA 0.220 4.870 4.640 0.016 0.000 0.224 247 D C -0.620 175.761 176.300 0.135 0.000 1.230 247 D CA -0.298 53.859 54.000 0.261 0.000 0.871 247 D CB 2.203 43.087 40.800 0.140 0.000 1.671 247 D HN -0.122 nan 8.370 nan 0.000 0.507 248 Q N 1.776 121.519 119.800 -0.095 0.000 2.179 248 Q HA 0.103 4.453 4.340 0.016 0.000 0.213 248 Q C 1.443 177.173 176.000 -0.449 0.000 0.833 248 Q CA -0.125 55.530 55.803 -0.247 0.000 0.990 248 Q CB 0.695 29.166 28.738 -0.444 0.000 1.132 248 Q HN 0.508 nan 8.270 nan 0.000 0.493 249 R N 1.485 121.558 120.500 -0.713 0.000 2.105 249 R HA -0.211 4.139 4.340 0.016 0.000 0.239 249 R C 2.097 178.154 176.300 -0.404 0.000 1.135 249 R CA 2.089 57.650 56.100 -0.897 0.000 0.967 249 R CB 0.223 30.156 30.300 -0.612 0.000 0.861 249 R HN 0.360 nan 8.270 nan 0.000 0.442 250 Q N -0.838 118.795 119.800 -0.279 0.000 2.167 250 Q HA -0.068 4.282 4.340 0.016 0.000 0.202 250 Q C 1.779 177.686 176.000 -0.156 0.000 0.970 250 Q CA 1.807 57.488 55.803 -0.202 0.000 0.855 250 Q CB -0.072 28.525 28.738 -0.234 0.000 0.911 250 Q HN 0.131 nan 8.270 nan 0.000 0.438 251 S N 1.568 117.184 115.700 -0.140 0.000 2.368 251 S HA -0.168 4.312 4.470 0.016 0.000 0.224 251 S C 1.739 176.250 174.600 -0.147 0.000 1.029 251 S CA 1.117 59.252 58.200 -0.110 0.000 0.988 251 S CB -0.525 62.609 63.200 -0.110 0.000 0.838 251 S HN 0.514 nan 8.310 nan 0.000 0.462 252 N N 1.420 120.002 118.700 -0.197 0.000 2.061 252 N HA -0.200 4.549 4.740 0.016 0.000 0.193 252 N C 1.534 176.961 175.510 -0.139 0.000 1.030 252 N CA 1.632 54.570 53.050 -0.187 0.000 0.856 252 N CB -0.169 38.225 38.487 -0.154 0.000 1.023 252 N HN 0.532 nan 8.380 nan 0.000 0.424 253 E N 0.641 120.764 120.200 -0.128 0.000 2.077 253 E HA -0.123 4.237 4.350 0.016 0.000 0.193 253 E C 2.147 178.704 176.600 -0.072 0.000 0.989 253 E CA 0.567 56.913 56.400 -0.090 0.000 0.800 253 E CB -0.077 29.571 29.700 -0.087 0.000 0.746 253 E HN 0.348 nan 8.360 nan 0.000 0.452 254 L N 0.540 121.719 121.223 -0.072 0.000 2.056 254 L HA -0.155 4.195 4.340 0.016 0.000 0.207 254 L C 2.461 179.306 176.870 -0.043 0.000 1.078 254 L CA 1.060 55.871 54.840 -0.048 0.000 0.749 254 L CB -0.378 41.659 42.059 -0.036 0.000 0.901 254 L HN 0.147 nan 8.230 nan 0.000 0.433 255 A N -0.378 122.406 122.820 -0.060 0.000 1.873 255 A HA -0.318 4.012 4.320 0.016 0.000 0.218 255 A C 2.062 179.616 177.584 -0.050 0.000 1.193 255 A CA 2.050 54.052 52.037 -0.058 0.000 0.629 255 A CB -0.684 18.255 19.000 -0.102 0.000 0.826 255 A HN 0.594 nan 8.150 nan 0.000 0.447 256 Q N -0.938 118.825 119.800 -0.062 0.000 2.096 256 Q HA -0.158 4.192 4.340 0.016 0.000 0.204 256 Q C 2.426 178.411 176.000 -0.025 0.000 0.982 256 Q CA 1.405 57.183 55.803 -0.042 0.000 0.850 256 Q CB -0.427 28.285 28.738 -0.043 0.000 0.901 256 Q HN 0.710 nan 8.270 nan 0.000 0.422 257 A N 0.852 123.656 122.820 -0.027 0.000 1.972 257 A HA -0.131 4.199 4.320 0.016 0.000 0.219 257 A C 1.934 179.510 177.584 -0.013 0.000 1.169 257 A CA 1.071 53.097 52.037 -0.019 0.000 0.635 257 A CB -0.439 18.549 19.000 -0.021 0.000 0.810 257 A HN 0.292 nan 8.150 nan 0.000 0.446 258 L N -1.401 119.815 121.223 -0.013 0.000 2.591 258 L HA 0.202 4.552 4.340 0.016 0.000 0.228 258 L C 1.593 178.462 176.870 -0.001 0.000 1.133 258 L CA 0.498 55.334 54.840 -0.006 0.000 0.880 258 L CB -0.112 41.945 42.059 -0.003 0.000 1.033 258 L HN 0.565 nan 8.230 nan 0.000 0.450 259 G N 0.424 109.223 108.800 -0.001 0.000 2.147 259 G HA2 -0.226 3.744 3.960 0.016 0.000 0.244 259 G HA3 -0.226 3.744 3.960 0.016 0.000 0.244 259 G C 0.117 175.026 174.900 0.014 0.000 1.005 259 G CA -0.216 44.888 45.100 0.007 0.000 0.713 259 G HN 0.167 nan 8.290 nan 0.000 0.515 260 R N 0.107 120.612 120.500 0.008 0.000 2.664 260 R HA 0.635 4.985 4.340 0.016 0.000 0.286 260 R C 0.353 176.655 176.300 0.003 0.000 0.967 260 R CA -0.391 55.721 56.100 0.020 0.000 0.933 260 R CB 1.409 31.725 30.300 0.026 0.000 1.146 260 R HN 0.294 nan 8.270 nan 0.000 0.468 261 S N 2.196 117.915 115.700 0.031 0.000 2.537 261 S HA 0.097 4.577 4.470 0.016 0.000 0.286 261 S C -1.464 173.064 174.600 -0.121 0.000 1.299 261 S CA -1.074 57.128 58.200 0.004 0.000 1.067 261 S CB 0.513 63.793 63.200 0.133 0.000 0.864 261 S HN 0.266 nan 8.310 nan 0.000 0.494 262 P HA -0.049 nan 4.420 nan 0.000 0.225 262 P C 0.041 176.992 177.300 -0.583 0.000 1.148 262 P CA 1.060 63.853 63.100 -0.511 0.000 0.779 262 P CB -0.059 31.199 31.700 -0.737 0.000 0.780 263 Y N -0.917 119.329 120.300 -0.092 0.000 2.490 263 Y HA 0.035 4.595 4.550 0.017 0.000 0.281 263 Y C 1.473 177.309 175.900 -0.107 0.000 1.174 263 Y CA 0.171 58.155 58.100 -0.194 0.000 1.295 263 Y CB -0.939 37.336 38.460 -0.308 0.000 1.062 263 Y HN -0.038 nan 8.280 nan 0.000 0.522 264 D N -0.028 120.429 120.400 0.096 0.000 2.349 264 D HA 0.091 4.741 4.640 0.016 0.000 0.224 264 D C 0.016 176.449 176.300 0.223 0.000 1.029 264 D CA 0.532 54.688 54.000 0.262 0.000 0.879 264 D CB 0.190 41.142 40.800 0.253 0.000 0.906 264 D HN 0.236 nan 8.370 nan 0.000 0.528 265 L N 0.602 121.804 121.223 -0.035 0.000 2.282 265 L HA 0.333 4.683 4.340 0.016 0.000 0.288 265 L C -0.765 175.985 176.870 -0.201 0.000 1.033 265 L CA -0.806 54.025 54.840 -0.016 0.000 0.807 265 L CB 1.010 43.003 42.059 -0.110 0.000 1.209 265 L HN -0.135 nan 8.230 nan 0.000 0.423 266 Y N 1.953 122.221 120.300 -0.053 0.000 2.478 266 Y HA 0.471 5.030 4.550 0.016 0.000 0.329 266 Y C 0.572 176.209 175.900 -0.439 0.000 0.967 266 Y CA -0.768 57.257 58.100 -0.126 0.000 1.255 266 Y CB 1.578 40.062 38.460 0.041 0.000 1.103 266 Y HN 0.649 nan 8.280 nan 0.000 0.497 267 A N 2.868 125.475 122.820 -0.354 0.000 2.451 267 A HA 0.478 4.808 4.320 0.016 0.000 0.266 267 A C 0.836 178.248 177.584 -0.287 0.000 1.119 267 A CA 0.093 51.808 52.037 -0.538 0.000 0.786 267 A CB -0.258 18.181 19.000 -0.935 0.000 1.061 267 A HN 0.868 nan 8.150 nan 0.000 0.503 268 G N 1.075 109.674 108.800 -0.335 0.000 2.403 268 G HA2 0.486 4.456 3.960 0.016 0.000 0.259 268 G HA3 0.486 4.456 3.960 0.016 0.000 0.259 268 G C -0.542 174.672 174.900 0.524 0.000 1.244 268 G CA -0.164 44.842 45.100 -0.158 0.000 0.849 268 G HN 0.818 nan 8.290 nan 0.000 0.532 269 V N 2.834 123.071 119.914 0.537 0.000 2.531 269 V HA 0.226 4.356 4.120 0.016 0.000 0.301 269 V C -0.851 175.323 176.094 0.132 0.000 1.034 269 V CA -0.901 61.560 62.300 0.268 0.000 0.865 269 V CB 1.908 33.806 31.823 0.125 0.000 0.995 269 V HN 0.790 nan 8.190 nan 0.000 0.424 270 D N 3.901 124.049 120.400 -0.419 0.000 2.411 270 D HA 0.248 4.898 4.640 0.016 0.000 0.225 270 D C 0.634 176.739 176.300 -0.325 0.000 1.156 270 D CA -0.156 53.478 54.000 -0.611 0.000 0.874 270 D CB 1.712 41.739 40.800 -1.288 0.000 1.034 270 D HN 0.426 nan 8.370 nan 0.000 0.502 271 V N 1.210 121.007 119.914 -0.194 0.000 3.483 271 V HA 0.206 4.336 4.120 0.016 0.000 0.301 271 V C 1.642 177.540 176.094 -0.327 0.000 1.389 271 V CA -0.029 62.126 62.300 -0.241 0.000 1.101 271 V CB -0.017 31.785 31.823 -0.036 0.000 0.971 271 V HN 0.468 nan 8.190 nan 0.000 0.434 272 E N 1.861 121.896 120.200 -0.274 0.000 2.049 272 E HA -0.247 4.113 4.350 0.016 0.000 0.198 272 E C 2.094 178.647 176.600 -0.078 0.000 1.007 272 E CA 2.278 58.550 56.400 -0.213 0.000 0.809 272 E CB -0.141 29.413 29.700 -0.243 0.000 0.749 272 E HN 0.721 nan 8.360 nan 0.000 0.450 273 A N 1.051 123.793 122.820 -0.130 0.000 1.903 273 A HA -0.081 4.249 4.320 0.016 0.000 0.213 273 A C 2.029 179.565 177.584 -0.081 0.000 1.185 273 A CA 1.381 53.388 52.037 -0.049 0.000 0.628 273 A CB -0.112 18.846 19.000 -0.070 0.000 0.830 273 A HN 0.355 nan 8.150 nan 0.000 0.446 274 R N -1.681 118.603 120.500 -0.359 0.000 2.549 274 R HA 0.364 4.713 4.340 0.016 0.000 0.344 274 R C 1.107 176.787 176.300 -1.034 0.000 0.979 274 R CA 0.621 56.454 56.100 -0.446 0.000 1.140 274 R CB -0.638 29.506 30.300 -0.261 0.000 1.377 274 R HN 0.593 nan 8.270 nan 0.000 0.541 275 G N 2.203 110.023 108.800 -1.633 0.000 2.660 275 G HA2 -0.533 3.437 3.960 0.016 0.000 0.321 275 G HA3 -0.533 3.437 3.960 0.016 0.000 0.321 275 G C 1.025 175.028 174.900 -1.495 0.000 1.246 275 G CA 1.953 45.725 45.100 -2.213 0.000 1.000 275 G HN 0.421 nan 8.290 nan 0.000 0.550 276 T N -2.221 111.408 114.554 -1.543 0.000 3.051 276 T HA 0.226 4.586 4.350 0.016 0.000 0.269 276 T C 2.019 176.259 174.700 -0.767 0.000 1.127 276 T CA 1.973 63.125 62.100 -1.580 0.000 1.107 276 T CB -0.023 68.220 68.868 -1.041 0.000 0.898 276 T HN 0.581 nan 8.240 nan 0.000 0.517 277 S N 1.191 116.559 115.700 -0.553 0.000 2.634 277 S HA 0.146 4.626 4.470 0.016 0.000 0.221 277 S C 0.488 174.952 174.600 -0.227 0.000 0.952 277 S CA -0.302 57.739 58.200 -0.264 0.000 0.930 277 S CB -0.117 62.974 63.200 -0.181 0.000 0.780 277 S HN 0.564 nan 8.310 nan 0.000 0.498 278 T N 5.640 120.013 114.554 -0.303 0.000 2.769 278 T HA 0.192 4.552 4.350 0.016 0.000 0.293 278 T C -2.427 172.226 174.700 -0.079 0.000 0.931 278 T CA -1.000 60.976 62.100 -0.208 0.000 1.139 278 T CB 0.584 69.317 68.868 -0.224 0.000 0.881 278 T HN 0.137 nan 8.240 nan 0.000 0.532 279 P HA 0.355 nan 4.420 nan 0.000 0.276 279 P C -1.020 176.081 177.300 -0.331 0.000 1.235 279 P CA -0.303 62.700 63.100 -0.161 0.000 0.772 279 P CB 0.721 32.328 31.700 -0.156 0.000 0.871 280 V N 3.552 123.195 119.914 -0.453 0.000 2.808 280 V HA 0.207 4.337 4.120 0.016 0.000 0.308 280 V C 0.164 175.792 176.094 -0.777 0.000 1.099 280 V CA -0.636 61.139 62.300 -0.876 0.000 0.920 280 V CB 2.078 32.900 31.823 -1.668 0.000 1.014 280 V HN 0.345 nan 8.190 nan 0.000 0.425 281 Q N 2.219 121.637 119.800 -0.638 0.000 3.026 281 Q HA 0.199 4.549 4.340 0.016 0.000 0.258 281 Q C 0.433 176.357 176.000 -0.126 0.000 1.388 281 Q CA 0.342 55.972 55.803 -0.288 0.000 1.000 281 Q CB -0.058 28.563 28.738 -0.194 0.000 1.634 281 Q HN 0.738 nan 8.270 nan 0.000 0.571 282 W N 0.759 122.091 121.300 0.052 0.000 2.342 282 W HA -0.185 4.485 4.660 0.016 0.000 0.297 282 W C 1.626 178.221 176.519 0.127 0.000 1.213 282 W CA 0.543 57.936 57.345 0.079 0.000 1.251 282 W CB 0.240 29.785 29.460 0.142 0.000 1.136 282 W HN 0.500 nan 8.180 nan 0.000 0.526 283 E N -0.296 120.111 120.200 0.346 0.000 2.265 283 E HA -0.124 4.236 4.350 0.016 0.000 0.196 283 E C 2.346 179.060 176.600 0.190 0.000 0.996 283 E CA 1.317 57.868 56.400 0.252 0.000 0.832 283 E CB -0.691 29.128 29.700 0.198 0.000 0.756 283 E HN 0.428 nan 8.360 nan 0.000 0.491 284 G N 0.586 109.518 108.800 0.219 0.000 2.598 284 G HA2 -0.116 3.853 3.960 0.016 0.000 0.215 284 G HA3 -0.116 3.853 3.960 0.016 0.000 0.215 284 G C 1.459 176.465 174.900 0.177 0.000 1.131 284 G CA 0.247 45.502 45.100 0.257 0.000 0.785 284 G HN 0.183 nan 8.290 nan 0.000 0.539 285 L N -1.667 119.559 121.223 0.005 0.000 2.526 285 L HA 0.557 4.907 4.340 0.016 0.000 0.210 285 L C -0.156 176.322 176.870 -0.655 0.000 1.048 285 L CA 0.296 54.883 54.840 -0.421 0.000 0.852 285 L CB 0.334 42.012 42.059 -0.634 0.000 1.128 285 L HN 0.002 nan 8.230 nan 0.000 0.482 286 F N 3.158 123.017 119.950 -0.151 0.000 2.371 286 F HA 0.473 5.009 4.527 0.016 0.000 0.343 286 F C -2.136 173.607 175.800 -0.095 0.000 1.150 286 F CA -2.909 54.971 58.000 -0.199 0.000 1.220 286 F CB -0.121 38.704 39.000 -0.292 0.000 1.475 286 F HN -0.025 nan 8.300 nan 0.000 0.521 287 P HA -0.016 nan 4.420 nan 0.000 0.269 287 P C -0.160 177.162 177.300 0.037 0.000 1.209 287 P CA -0.040 63.039 63.100 -0.036 0.000 0.776 287 P CB 0.891 32.484 31.700 -0.178 0.000 0.876 288 E N 1.159 121.400 120.200 0.069 0.000 2.415 288 E HA 0.153 4.513 4.350 0.016 0.000 0.260 288 E C 1.221 177.842 176.600 0.035 0.000 1.016 288 E CA 0.699 57.137 56.400 0.063 0.000 0.924 288 E CB -0.354 29.385 29.700 0.065 0.000 0.961 288 E HN 0.818 nan 8.360 nan 0.000 0.459 289 G N 3.543 112.358 108.800 0.025 0.000 2.155 289 G HA2 -0.309 3.661 3.960 0.016 0.000 0.257 289 G HA3 -0.309 3.661 3.960 0.016 0.000 0.257 289 G C 0.056 174.962 174.900 0.009 0.000 0.983 289 G CA 0.543 45.651 45.100 0.013 0.000 0.676 289 G HN 0.560 nan 8.290 nan 0.000 0.528 290 E N -0.681 119.520 120.200 0.001 0.000 2.410 290 E HA 0.500 4.860 4.350 0.016 0.000 0.269 290 E C -0.037 176.553 176.600 -0.016 0.000 0.937 290 E CA -1.157 55.239 56.400 -0.007 0.000 0.793 290 E CB 1.452 31.140 29.700 -0.020 0.000 1.314 290 E HN 0.208 nan 8.360 nan 0.000 0.447 291 K N 0.657 121.059 120.400 0.004 0.000 2.380 291 K HA 0.224 4.554 4.320 0.016 0.000 0.267 291 K C -0.094 176.500 176.600 -0.010 0.000 0.990 291 K CA -0.205 56.101 56.287 0.032 0.000 0.946 291 K CB 0.403 32.968 32.500 0.107 0.000 0.937 291 K HN 0.519 nan 8.250 nan 0.000 0.491 292 A N 2.396 125.245 122.820 0.048 0.000 2.561 292 A HA -0.086 4.243 4.320 0.016 0.000 0.234 292 A C 0.691 178.271 177.584 -0.006 0.000 1.055 292 A CA 0.013 52.044 52.037 -0.011 0.000 0.756 292 A CB 0.062 19.111 19.000 0.082 0.000 0.986 292 A HN 0.778 nan 8.150 nan 0.000 0.505 293 H N 0.824 119.815 119.070 -0.131 0.000 2.363 293 H HA 0.014 4.580 4.556 0.016 0.000 0.301 293 H C 1.333 176.486 175.328 -0.292 0.000 1.074 293 H CA 1.946 57.879 56.048 -0.192 0.000 1.354 293 H CB -0.011 29.607 29.762 -0.239 0.000 1.397 293 H HN 0.910 nan 8.280 nan 0.000 0.516 294 T N -3.481 110.974 114.554 -0.164 0.000 2.681 294 T HA 0.483 4.843 4.350 0.016 0.000 0.296 294 T C 0.203 174.852 174.700 -0.085 0.000 1.157 294 T CA -0.904 61.050 62.100 -0.244 0.000 1.025 294 T CB 2.136 70.804 68.868 -0.333 0.000 1.441 294 T HN -0.010 nan 8.240 nan 0.000 0.504 295 S N -0.244 115.361 115.700 -0.158 0.000 2.661 295 S HA 0.662 5.142 4.470 0.016 0.000 0.265 295 S C -0.622 173.915 174.600 -0.105 0.000 1.225 295 S CA -0.657 57.450 58.200 -0.157 0.000 0.986 295 S CB 0.444 63.250 63.200 -0.656 0.000 1.008 295 S HN 0.753 nan 8.310 nan 0.000 0.565 296 L N 0.885 122.217 121.223 0.181 0.000 2.346 296 L HA 0.763 5.113 4.340 0.016 0.000 0.276 296 L C -0.092 176.994 176.870 0.361 0.000 1.006 296 L CA -0.044 54.945 54.840 0.247 0.000 0.817 296 L CB 1.070 43.405 42.059 0.460 0.000 1.272 296 L HN 0.615 nan 8.230 nan 0.000 0.421 297 G N 5.782 114.723 108.800 0.235 0.000 2.487 297 G HA2 0.563 4.532 3.960 0.016 0.000 0.314 297 G HA3 0.563 4.532 3.960 0.016 0.000 0.314 297 G C -1.310 173.867 174.900 0.461 0.000 1.267 297 G CA -0.536 44.770 45.100 0.342 0.000 0.937 297 G HN 0.588 nan 8.290 nan 0.000 0.481 298 L N 2.654 124.162 121.223 0.474 0.000 2.265 298 L HA 0.292 4.642 4.340 0.016 0.000 0.289 298 L C -0.721 176.359 176.870 0.350 0.000 1.033 298 L CA -1.083 53.995 54.840 0.397 0.000 0.814 298 L CB 1.326 43.565 42.059 0.300 0.000 1.203 298 L HN 0.591 nan 8.230 nan 0.000 0.423 299 Y N 5.644 126.085 120.300 0.234 0.000 2.454 299 Y HA 0.310 4.869 4.550 0.016 0.000 0.345 299 Y C 0.201 175.965 175.900 -0.227 0.000 0.970 299 Y CA -0.819 57.265 58.100 -0.026 0.000 1.204 299 Y CB 0.139 38.699 38.460 0.166 0.000 1.122 299 Y HN 0.541 nan 8.280 nan 0.000 0.514 300 R N 4.415 124.431 120.500 -0.806 0.000 3.305 300 R HA -0.122 4.228 4.340 0.016 0.000 0.268 300 R C -2.491 173.568 176.300 -0.401 0.000 1.087 300 R CA 0.662 56.313 56.100 -0.748 0.000 0.725 300 R CB -2.089 27.595 30.300 -1.027 0.000 1.233 300 R HN 0.583 nan 8.270 nan 0.000 0.416 301 P HA -0.135 nan 4.420 nan 0.000 0.230 301 P C 0.928 178.089 177.300 -0.231 0.000 1.158 301 P CA 1.159 63.985 63.100 -0.456 0.000 0.769 301 P CB -0.087 31.303 31.700 -0.517 0.000 0.807 302 D N -1.214 119.054 120.400 -0.219 0.000 2.389 302 D HA -0.214 4.436 4.640 0.016 0.000 0.221 302 D C 1.689 177.956 176.300 -0.055 0.000 0.974 302 D CA 0.144 54.062 54.000 -0.136 0.000 0.923 302 D CB -0.993 39.666 40.800 -0.236 0.000 0.892 302 D HN 0.208 nan 8.370 nan 0.000 0.518 303 W N 2.522 123.672 121.300 -0.249 0.000 2.274 303 W HA -0.368 4.301 4.660 0.016 0.000 0.314 303 W C 2.388 178.856 176.519 -0.086 0.000 1.254 303 W CA 2.842 60.074 57.345 -0.189 0.000 1.265 303 W CB -0.380 28.946 29.460 -0.224 0.000 1.141 303 W HN 0.103 nan 8.180 nan 0.000 0.505 304 A N -0.587 122.115 122.820 -0.195 0.000 1.940 304 A HA -0.179 4.151 4.320 0.016 0.000 0.219 304 A C 1.922 179.456 177.584 -0.085 0.000 1.176 304 A CA 1.651 53.495 52.037 -0.321 0.000 0.631 304 A CB -1.268 17.856 19.000 0.206 0.000 0.814 304 A HN 0.572 nan 8.150 nan 0.000 0.446 305 F N 0.203 119.960 119.950 -0.322 0.000 2.179 305 F HA -0.044 4.494 4.527 0.017 0.000 0.292 305 F C 2.398 177.957 175.800 -0.402 0.000 1.089 305 F CA 1.568 59.145 58.000 -0.705 0.000 1.295 305 F CB -0.143 38.224 39.000 -1.055 0.000 1.041 305 F HN 0.176 nan 8.300 nan 0.000 0.487 306 Q N 0.048 119.658 119.800 -0.317 0.000 2.224 306 Q HA -0.102 4.248 4.340 0.016 0.000 0.203 306 Q C 2.169 177.960 176.000 -0.350 0.000 0.970 306 Q CA 1.453 57.058 55.803 -0.330 0.000 0.865 306 Q CB -1.035 27.596 28.738 -0.178 0.000 0.922 306 Q HN 0.543 nan 8.270 nan 0.000 0.445 307 S N -1.150 114.291 115.700 -0.432 0.000 2.575 307 S HA 0.215 4.695 4.470 0.016 0.000 0.215 307 S C 0.669 175.052 174.600 -0.363 0.000 0.966 307 S CA -0.508 57.449 58.200 -0.406 0.000 0.911 307 S CB 0.373 63.206 63.200 -0.611 0.000 0.780 307 S HN -0.006 nan 8.310 nan 0.000 0.514 308 S N 0.770 116.254 115.700 -0.360 0.000 2.638 308 S HA 0.505 4.985 4.470 0.016 0.000 0.302 308 S C 0.062 174.416 174.600 -0.410 0.000 1.096 308 S CA -0.847 57.182 58.200 -0.285 0.000 0.953 308 S CB 1.922 65.044 63.200 -0.131 0.000 1.107 308 S HN 0.390 nan 8.310 nan 0.000 0.503 309 E N 0.215 120.122 120.200 -0.489 0.000 2.541 309 E HA 0.122 4.482 4.350 0.016 0.000 0.219 309 E C -0.138 175.842 176.600 -1.034 0.000 0.922 309 E CA 0.106 56.052 56.400 -0.756 0.000 1.095 309 E CB 0.995 30.437 29.700 -0.430 0.000 1.112 309 E HN 0.710 nan 8.360 nan 0.000 0.516 310 T N -2.145 111.995 114.554 -0.691 0.000 2.907 310 T HA 0.309 4.669 4.350 0.016 0.000 0.292 310 T C 0.711 175.322 174.700 -0.150 0.000 1.043 310 T CA -0.740 61.074 62.100 -0.476 0.000 1.003 310 T CB 2.034 70.787 68.868 -0.191 0.000 1.084 310 T HN -0.166 nan 8.240 nan 0.000 0.483 311 M N 1.310 120.818 119.600 -0.152 0.000 2.106 311 M HA -0.044 4.446 4.480 0.016 0.000 0.259 311 M C 1.780 178.042 176.300 -0.062 0.000 1.068 311 M CA 1.955 57.132 55.300 -0.205 0.000 1.100 311 M CB -1.085 30.836 32.600 -1.132 0.000 1.351 311 M HN 0.844 nan 8.290 nan 0.000 0.404 312 E N 0.035 120.248 120.200 0.021 0.000 2.058 312 E HA -0.137 4.223 4.350 0.016 0.000 0.194 312 E C 2.040 178.798 176.600 0.265 0.000 0.997 312 E CA 1.912 58.467 56.400 0.258 0.000 0.801 312 E CB -0.641 29.215 29.700 0.260 0.000 0.746 312 E HN 0.652 nan 8.360 nan 0.000 0.450 313 A N 0.289 123.214 122.820 0.174 0.000 1.929 313 A HA -0.125 4.205 4.320 0.016 0.000 0.216 313 A C 2.038 179.755 177.584 0.222 0.000 1.176 313 A CA 1.103 53.229 52.037 0.148 0.000 0.628 313 A CB -0.679 18.343 19.000 0.037 0.000 0.816 313 A HN 0.343 nan 8.150 nan 0.000 0.444 314 F N -0.314 119.716 119.950 0.134 0.000 2.075 314 F HA -0.175 4.362 4.527 0.016 0.000 0.297 314 F C 2.017 178.004 175.800 0.312 0.000 1.113 314 F CA 1.435 59.548 58.000 0.187 0.000 1.218 314 F CB -0.925 38.259 39.000 0.306 0.000 0.984 314 F HN 0.281 nan 8.300 nan 0.000 0.472 315 Y N 0.907 121.140 120.300 -0.113 0.000 2.224 315 Y HA -0.150 4.410 4.550 0.016 0.000 0.289 315 Y C 2.590 178.592 175.900 0.170 0.000 1.146 315 Y CA 1.793 59.855 58.100 -0.065 0.000 1.182 315 Y CB -0.995 37.609 38.460 0.240 0.000 0.983 315 Y HN 0.293 nan 8.280 nan 0.000 0.524 316 E N 0.557 120.962 120.200 0.342 0.000 2.077 316 E HA -0.181 4.179 4.350 0.016 0.000 0.193 316 E C 1.942 178.678 176.600 0.227 0.000 0.989 316 E CA 1.712 58.287 56.400 0.291 0.000 0.800 316 E CB -0.151 29.699 29.700 0.250 0.000 0.746 316 E HN 0.297 nan 8.360 nan 0.000 0.452 317 K N 0.109 120.615 120.400 0.176 0.000 2.097 317 K HA -0.115 4.215 4.320 0.016 0.000 0.205 317 K C 2.224 178.977 176.600 0.256 0.000 1.050 317 K CA 1.428 57.814 56.287 0.166 0.000 0.938 317 K CB -0.076 32.386 32.500 -0.063 0.000 0.718 317 K HN 0.246 nan 8.250 nan 0.000 0.442 318 E N 0.909 121.216 120.200 0.178 0.000 2.077 318 E HA -0.201 4.158 4.350 0.016 0.000 0.193 318 E C 2.119 178.785 176.600 0.109 0.000 0.989 318 E CA 0.791 57.317 56.400 0.209 0.000 0.800 318 E CB -0.093 29.619 29.700 0.020 0.000 0.746 318 E HN 0.245 nan 8.360 nan 0.000 0.452 319 L N 1.196 122.512 121.223 0.154 0.000 2.017 319 L HA -0.245 4.105 4.340 0.016 0.000 0.208 319 L C 2.469 179.451 176.870 0.187 0.000 1.073 319 L CA 1.303 56.253 54.840 0.183 0.000 0.745 319 L CB -0.072 42.186 42.059 0.333 0.000 0.894 319 L HN 0.075 nan 8.230 nan 0.000 0.432 320 Q N -0.917 119.017 119.800 0.223 0.000 2.181 320 Q HA -0.251 4.099 4.340 0.016 0.000 0.205 320 Q C 2.034 178.155 176.000 0.201 0.000 0.980 320 Q CA 1.962 57.885 55.803 0.200 0.000 0.862 320 Q CB -0.463 28.393 28.738 0.197 0.000 0.905 320 Q HN 0.572 nan 8.270 nan 0.000 0.429 321 F N -1.206 118.795 119.950 0.085 0.000 2.149 321 F HA -0.148 4.389 4.527 0.016 0.000 0.294 321 F C 1.522 177.349 175.800 0.046 0.000 1.095 321 F CA 1.055 59.062 58.000 0.011 0.000 1.276 321 F CB -0.028 38.943 39.000 -0.049 0.000 1.023 321 F HN 0.001 nan 8.300 nan 0.000 0.480 322 W N -0.975 120.424 121.300 0.164 0.000 2.539 322 W HA 0.090 4.761 4.660 0.019 0.000 0.281 322 W C 2.076 178.506 176.519 -0.148 0.000 1.220 322 W CA 0.929 58.255 57.345 -0.031 0.000 1.332 322 W CB -0.452 28.750 29.460 -0.431 0.000 1.095 322 W HN -0.266 nan 8.180 nan 0.000 0.571 323 V N -0.580 119.414 119.914 0.133 0.000 2.795 323 V HA 0.429 4.558 4.120 0.016 0.000 0.243 323 V C 1.082 177.195 176.094 0.032 0.000 1.069 323 V CA 1.290 63.654 62.300 0.106 0.000 1.089 323 V CB -0.567 31.387 31.823 0.217 0.000 0.756 323 V HN 0.214 nan 8.190 nan 0.000 0.471 324 G N 0.434 109.285 108.800 0.085 0.000 2.541 324 G HA2 -0.146 3.824 3.960 0.016 0.000 0.686 324 G HA3 -0.146 3.824 3.960 0.016 0.000 0.686 324 G C 0.543 175.494 174.900 0.084 0.000 1.286 324 G CA 0.196 45.343 45.100 0.078 0.000 0.894 324 G HN 0.686 nan 8.290 nan 0.000 0.575 325 S N -1.633 114.108 115.700 0.067 0.000 2.515 325 S HA -0.035 4.445 4.470 0.016 0.000 0.231 325 S C 2.360 176.993 174.600 0.054 0.000 0.987 325 S CA 2.335 60.577 58.200 0.069 0.000 0.936 325 S CB -0.443 62.791 63.200 0.056 0.000 0.766 325 S HN 2.233 nan 8.310 nan 0.000 0.528 326 T N -2.110 112.462 114.554 0.029 0.000 2.995 326 T HA 0.293 4.653 4.350 0.016 0.000 0.269 326 T C 1.807 176.549 174.700 0.069 0.000 1.091 326 T CA 1.005 63.123 62.100 0.029 0.000 1.128 326 T CB -1.043 67.823 68.868 -0.004 0.000 0.891 326 T HN 1.273 nan 8.240 nan 0.000 0.492 327 G N 1.484 110.344 108.800 0.102 0.000 2.153 327 G HA2 -0.261 3.709 3.960 0.016 0.000 0.252 327 G HA3 -0.261 3.709 3.960 0.016 0.000 0.252 327 G C -0.076 174.924 174.900 0.166 0.000 0.994 327 G CA 0.204 45.404 45.100 0.165 0.000 0.698 327 G HN 0.883 nan 8.290 nan 0.000 0.521 328 N N -0.269 118.494 118.700 0.106 0.000 2.519 328 N HA 0.438 5.187 4.740 0.016 0.000 0.286 328 N C -1.464 174.088 175.510 0.070 0.000 1.079 328 N CA -1.871 51.230 53.050 0.085 0.000 0.878 328 N CB 2.225 40.734 38.487 0.036 0.000 1.375 328 N HN -0.027 nan 8.380 nan 0.000 0.514 329 P HA 0.047 nan 4.420 nan 0.000 0.237 329 P C 0.626 177.969 177.300 0.072 0.000 1.178 329 P CA 0.416 63.603 63.100 0.146 0.000 0.766 329 P CB 0.383 32.295 31.700 0.354 0.000 0.876 330 A N -0.011 122.813 122.820 0.007 0.000 2.123 330 A HA 0.024 4.353 4.320 0.016 0.000 0.214 330 A C 0.913 178.473 177.584 -0.040 0.000 1.152 330 A CA 0.568 52.581 52.037 -0.041 0.000 0.728 330 A CB -0.322 18.618 19.000 -0.100 0.000 0.814 330 A HN 0.168 nan 8.150 nan 0.000 0.464 331 E N 0.902 121.084 120.200 -0.031 0.000 2.731 331 E HA 0.267 4.626 4.350 0.016 0.000 0.248 331 E C -0.956 175.614 176.600 -0.050 0.000 1.084 331 E CA -0.298 56.080 56.400 -0.037 0.000 0.776 331 E CB 1.134 30.817 29.700 -0.028 0.000 1.404 331 E HN 0.426 nan 8.360 nan 0.000 0.395 332 T N -1.410 113.104 114.554 -0.067 0.000 2.945 332 T HA 0.382 4.742 4.350 0.016 0.000 0.286 332 T C -0.235 174.349 174.700 -0.194 0.000 1.025 332 T CA -0.976 61.044 62.100 -0.134 0.000 1.039 332 T CB 2.021 70.806 68.868 -0.138 0.000 1.068 332 T HN 0.054 nan 8.240 nan 0.000 0.497 333 D N 0.219 120.432 120.400 -0.312 0.000 2.454 333 D HA 0.376 5.026 4.640 0.016 0.000 0.225 333 D C 1.364 177.375 176.300 -0.481 0.000 1.081 333 D CA -0.591 53.239 54.000 -0.285 0.000 0.864 333 D CB 0.619 41.310 40.800 -0.182 0.000 1.040 333 D HN 0.753 nan 8.370 nan 0.000 0.517 334 G N 2.617 111.148 108.800 -0.448 0.000 2.559 334 G HA2 -0.213 3.757 3.960 0.016 0.000 0.216 334 G HA3 -0.213 3.757 3.960 0.016 0.000 0.216 334 G C 1.018 175.781 174.900 -0.228 0.000 1.126 334 G CA 0.444 45.258 45.100 -0.477 0.000 0.778 334 G HN 0.529 nan 8.290 nan 0.000 0.543 335 Q N -0.059 119.647 119.800 -0.156 0.000 2.408 335 Q HA 0.159 4.508 4.340 0.016 0.000 0.205 335 Q C 1.263 177.233 176.000 -0.050 0.000 0.919 335 Q CA -0.245 55.519 55.803 -0.065 0.000 0.932 335 Q CB 0.410 29.125 28.738 -0.038 0.000 1.058 335 Q HN 0.347 nan 8.270 nan 0.000 0.517 336 S N 0.865 116.500 115.700 -0.107 0.000 2.572 336 S HA 0.020 4.500 4.470 0.016 0.000 0.279 336 S C 0.982 175.601 174.600 0.032 0.000 1.341 336 S CA -0.499 57.672 58.200 -0.049 0.000 1.043 336 S CB 0.553 63.696 63.200 -0.096 0.000 0.887 336 S HN 0.218 nan 8.310 nan 0.000 0.516 337 N N 2.292 121.060 118.700 0.113 0.000 2.289 337 N HA -0.057 4.693 4.740 0.016 0.000 0.184 337 N C -0.118 175.630 175.510 0.396 0.000 1.016 337 N CA 0.870 54.058 53.050 0.230 0.000 0.872 337 N CB -0.017 38.580 38.487 0.183 0.000 0.973 337 N HN 0.740 nan 8.380 nan 0.000 0.433 338 W N 1.173 122.496 121.300 0.039 0.000 2.423 338 W HA 0.292 4.961 4.660 0.016 0.000 0.286 338 W C -2.364 174.005 176.519 -0.250 0.000 1.001 338 W CA -1.737 55.587 57.345 -0.036 0.000 1.643 338 W CB 1.321 30.730 29.460 -0.085 0.000 1.593 338 W HN -0.002 nan 8.180 nan 0.000 0.403 339 P HA -0.015 nan 4.420 nan 0.000 0.222 339 P C 0.542 177.413 177.300 -0.715 0.000 1.147 339 P CA 1.738 64.350 63.100 -0.815 0.000 0.790 339 P CB 0.341 31.177 31.700 -1.440 0.000 0.780 340 G N -1.594 106.709 108.800 -0.828 0.000 2.650 340 G HA2 -0.162 3.807 3.960 0.016 0.000 0.686 340 G HA3 -0.162 3.807 3.960 0.016 0.000 0.686 340 G C 0.385 174.964 174.900 -0.534 0.000 1.205 340 G CA -0.500 44.289 45.100 -0.519 0.000 0.781 340 G HN -0.192 nan 8.290 nan 0.000 0.648 341 M N 1.126 120.518 119.600 -0.346 0.000 2.279 341 M HA -0.050 4.440 4.480 0.016 0.000 0.264 341 M C 2.839 179.009 176.300 -0.217 0.000 1.062 341 M CA 2.236 57.456 55.300 -0.133 0.000 1.099 341 M CB -1.551 31.027 32.600 -0.036 0.000 1.394 341 M HN 1.297 nan 8.290 nan 0.000 0.426 342 A N -1.207 121.329 122.820 -0.474 0.000 2.125 342 A HA -0.201 4.129 4.320 0.016 0.000 0.219 342 A C 1.924 179.352 177.584 -0.261 0.000 1.156 342 A CA 1.687 53.495 52.037 -0.382 0.000 0.671 342 A CB -1.085 17.811 19.000 -0.173 0.000 0.794 342 A HN 0.552 nan 8.150 nan 0.000 0.459 343 H N -2.129 116.584 119.070 -0.595 0.000 2.457 343 H HA -0.112 4.453 4.556 0.016 0.000 0.294 343 H C 1.419 176.131 175.328 -1.027 0.000 1.064 343 H CA 1.965 57.461 56.048 -0.920 0.000 1.330 343 H CB -0.011 28.854 29.762 -1.495 0.000 1.395 343 H HN 0.683 nan 8.280 nan 0.000 0.541 344 W N -1.479 119.473 121.300 -0.581 0.000 2.904 344 W HA 0.229 4.899 4.660 0.016 0.000 0.265 344 W C -0.550 175.468 176.519 -0.836 0.000 1.138 344 W CA -0.170 56.605 57.345 -0.950 0.000 1.455 344 W CB 0.182 28.676 29.460 -1.610 0.000 0.924 344 W HN -0.052 nan 8.180 nan 0.000 0.619 345 F N 1.455 121.429 119.950 0.040 0.000 2.467 345 F HA 0.429 4.966 4.527 0.016 0.000 0.336 345 F C -2.141 173.819 175.800 0.267 0.000 1.123 345 F CA -2.689 55.420 58.000 0.181 0.000 0.964 345 F CB 0.781 39.958 39.000 0.295 0.000 1.136 345 F HN -0.464 nan 8.300 nan 0.000 0.447 346 P HA 0.151 nan 4.420 nan 0.000 0.269 346 P C -0.769 176.827 177.300 0.494 0.000 1.209 346 P CA -0.233 63.096 63.100 0.381 0.000 0.776 346 P CB 0.649 32.499 31.700 0.251 0.000 0.876 347 A N 3.333 126.414 122.820 0.436 0.000 2.401 347 A HA 0.331 4.661 4.320 0.016 0.000 0.259 347 A C 0.129 177.754 177.584 0.067 0.000 1.103 347 A CA 0.025 52.126 52.037 0.106 0.000 0.789 347 A CB -0.119 18.861 19.000 -0.034 0.000 1.035 347 A HN 0.448 nan 8.150 nan 0.000 0.491 348 K N 0.642 121.060 120.400 0.030 0.000 2.221 348 K HA 0.664 4.994 4.320 0.016 0.000 0.243 348 K C -0.439 176.134 176.600 -0.045 0.000 0.968 348 K CA -0.395 55.908 56.287 0.027 0.000 0.846 348 K CB 1.914 34.465 32.500 0.085 0.000 1.141 348 K HN 0.619 nan 8.250 nan 0.000 0.434 349 S N -0.248 115.415 115.700 -0.062 0.000 2.540 349 S HA 0.264 4.744 4.470 0.016 0.000 0.275 349 S C -0.176 174.376 174.600 -0.079 0.000 1.123 349 S CA -0.724 57.414 58.200 -0.104 0.000 0.907 349 S CB 1.193 64.282 63.200 -0.184 0.000 1.081 349 S HN 0.670 nan 8.310 nan 0.000 0.476 350 T N 1.101 115.615 114.554 -0.067 0.000 3.186 350 T HA 0.391 4.751 4.350 0.016 0.000 0.257 350 T C 0.656 175.299 174.700 -0.096 0.000 1.029 350 T CA 0.156 62.225 62.100 -0.051 0.000 0.916 350 T CB 0.054 68.919 68.868 -0.005 0.000 1.041 350 T HN 0.750 nan 8.240 nan 0.000 0.562 351 A N 2.172 124.831 122.820 -0.269 0.000 3.048 351 A HA 0.459 4.788 4.320 0.016 0.000 0.264 351 A C 1.447 178.816 177.584 -0.358 0.000 1.796 351 A CA -0.157 51.519 52.037 -0.601 0.000 1.445 351 A CB -1.043 17.141 19.000 -1.360 0.000 1.074 351 A HN 0.576 nan 8.150 nan 0.000 0.621 352 T N -2.854 111.605 114.554 -0.159 0.000 3.111 352 T HA 0.351 4.711 4.350 0.016 0.000 0.284 352 T C 0.290 174.963 174.700 -0.046 0.000 0.983 352 T CA 0.403 62.443 62.100 -0.100 0.000 0.900 352 T CB -0.437 68.392 68.868 -0.066 0.000 1.132 352 T HN 0.830 nan 8.240 nan 0.000 0.531 353 S N 0.282 115.974 115.700 -0.013 0.000 2.541 353 S HA 0.749 5.228 4.470 0.016 0.000 0.280 353 S C -0.880 173.749 174.600 0.049 0.000 1.112 353 S CA -0.747 57.464 58.200 0.019 0.000 0.925 353 S CB 1.985 65.204 63.200 0.032 0.000 1.067 353 S HN 0.112 nan 8.310 nan 0.000 0.479 354 V N 3.822 123.757 119.914 0.035 0.000 2.439 354 V HA 0.540 4.669 4.120 0.016 0.000 0.282 354 V C -1.805 174.313 176.094 0.040 0.000 1.039 354 V CA -1.401 60.925 62.300 0.043 0.000 0.913 354 V CB 0.990 32.825 31.823 0.020 0.000 0.983 354 V HN 0.923 nan 8.190 nan 0.000 0.460 355 P HA 0.316 nan 4.420 nan 0.000 0.285 355 P C -1.134 176.207 177.300 0.068 0.000 1.259 355 P CA -0.338 62.786 63.100 0.040 0.000 0.794 355 P CB 0.829 32.541 31.700 0.018 0.000 0.940 356 F N 4.052 123.953 119.950 -0.082 0.000 2.404 356 F HA 0.468 5.002 4.527 0.010 0.000 0.354 356 F C -1.136 174.568 175.800 -0.161 0.000 1.122 356 F CA -0.770 57.152 58.000 -0.130 0.000 1.080 356 F CB 1.058 39.948 39.000 -0.184 0.000 1.131 356 F HN 0.064 nan 8.300 nan 0.000 0.471 357 V N 5.264 124.589 119.914 -0.981 0.000 2.638 357 V HA 0.574 4.704 4.120 0.016 0.000 0.306 357 V C -0.487 174.998 176.094 -1.016 0.000 1.052 357 V CA -0.579 61.224 62.300 -0.827 0.000 0.885 357 V CB 1.912 33.506 31.823 -0.381 0.000 0.999 357 V HN 0.867 nan 8.190 nan 0.000 0.424 358 T N 2.184 116.138 114.554 -1.000 0.000 2.933 358 T HA 0.497 4.857 4.350 0.016 0.000 0.305 358 T C -0.271 173.904 174.700 -0.875 0.000 1.092 358 T CA -0.408 61.195 62.100 -0.828 0.000 1.008 358 T CB 1.177 69.537 68.868 -0.846 0.000 1.102 358 T HN 0.795 nan 8.240 nan 0.000 0.469 359 H N 3.599 122.389 119.070 -0.467 0.000 2.662 359 H HA 0.201 4.766 4.556 0.014 0.000 0.268 359 H C -0.121 175.275 175.328 0.113 0.000 1.152 359 H CA -0.240 55.696 56.048 -0.187 0.000 1.072 359 H CB 0.132 29.743 29.762 -0.252 0.000 1.660 359 H HN 0.753 nan 8.280 nan 0.000 0.584 360 F N 0.675 120.752 119.950 0.212 0.000 3.093 360 F HA -0.266 4.273 4.527 0.020 0.000 0.287 360 F C 0.711 176.684 175.800 0.288 0.000 0.882 360 F CA 0.159 58.362 58.000 0.339 0.000 1.063 360 F CB -1.982 37.246 39.000 0.381 0.000 1.097 360 F HN 0.283 nan 8.300 nan 0.000 0.604 361 N N 1.349 120.231 118.700 0.305 0.000 2.420 361 N HA 0.094 4.844 4.740 0.016 0.000 0.262 361 N C 1.203 176.866 175.510 0.255 0.000 1.144 361 N CA 0.974 54.196 53.050 0.287 0.000 0.952 361 N CB 1.098 39.745 38.487 0.267 0.000 1.081 361 N HN 0.332 nan 8.380 nan 0.000 0.480 362 T N 0.456 115.153 114.554 0.238 0.000 3.129 362 T HA 0.226 4.586 4.350 0.016 0.000 0.251 362 T C 1.183 176.017 174.700 0.223 0.000 1.117 362 T CA 0.414 62.617 62.100 0.173 0.000 1.034 362 T CB -0.009 68.943 68.868 0.139 0.000 0.968 362 T HN 0.627 nan 8.240 nan 0.000 0.526 363 G N 0.815 109.769 108.800 0.257 0.000 2.179 363 G HA2 -0.116 3.853 3.960 0.016 0.000 0.220 363 G HA3 -0.116 3.853 3.960 0.016 0.000 0.220 363 G C 0.165 175.028 174.900 -0.061 0.000 0.990 363 G CA 0.207 45.447 45.100 0.233 0.000 0.646 363 G HN 1.562 nan 8.290 nan 0.000 0.517 364 S N -1.563 113.929 115.700 -0.346 0.000 2.615 364 S HA 0.961 5.440 4.470 0.016 0.000 0.269 364 S C -0.289 173.811 174.600 -0.833 0.000 1.161 364 S CA 0.305 57.918 58.200 -0.979 0.000 0.817 364 S CB 2.062 65.033 63.200 -0.383 0.000 1.131 364 S HN 2.049 nan 8.310 nan 0.000 0.467 365 G N -0.862 107.245 108.800 -1.155 0.000 2.623 365 G HA2 0.708 4.678 3.960 0.016 0.000 0.290 365 G HA3 0.708 4.678 3.960 0.016 0.000 0.290 365 G C 0.265 174.701 174.900 -0.774 0.000 1.437 365 G CA -0.166 44.591 45.100 -0.572 0.000 0.798 365 G HN 1.367 nan 8.290 nan 0.000 0.488 366 A N -0.794 121.495 122.820 -0.884 0.000 2.072 366 A HA 0.417 4.747 4.320 0.016 0.000 0.216 366 A C 1.161 178.714 177.584 -0.051 0.000 1.156 366 A CA 2.148 53.856 52.037 -0.549 0.000 0.701 366 A CB -0.225 18.446 19.000 -0.548 0.000 0.816 366 A HN 1.041 nan 8.150 nan 0.000 0.458 367 Q N -2.558 117.323 119.800 0.134 0.000 2.893 367 Q HA 0.566 4.916 4.340 0.016 0.000 0.331 367 Q C -1.761 174.539 176.000 0.500 0.000 0.893 367 Q CA -0.854 55.136 55.803 0.310 0.000 0.783 367 Q CB 0.732 29.576 28.738 0.175 0.000 1.440 367 Q HN 0.228 nan 8.270 nan 0.000 0.508 368 F N 0.452 120.502 119.950 0.167 0.000 2.539 368 F HA 0.634 5.170 4.527 0.014 0.000 0.318 368 F C -0.956 174.839 175.800 -0.008 0.000 1.135 368 F CA -0.295 57.702 58.000 -0.005 0.000 0.915 368 F CB 2.338 41.121 39.000 -0.361 0.000 1.176 368 F HN 0.540 nan 8.300 nan 0.000 0.440 369 S N 3.340 119.043 115.700 0.005 0.000 2.532 369 S HA 0.894 5.374 4.470 0.016 0.000 0.301 369 S C -0.990 173.615 174.600 0.008 0.000 1.083 369 S CA -0.702 57.520 58.200 0.037 0.000 1.025 369 S CB 1.793 64.978 63.200 -0.024 0.000 1.056 369 S HN 0.775 nan 8.310 nan 0.000 0.494 370 A N 1.539 124.349 122.820 -0.017 0.000 2.343 370 A HA 0.695 5.025 4.320 0.016 0.000 0.308 370 A C 0.074 177.464 177.584 -0.324 0.000 1.092 370 A CA -0.627 51.341 52.037 -0.115 0.000 0.751 370 A CB 0.154 19.176 19.000 0.036 0.000 1.203 370 A HN 0.925 nan 8.150 nan 0.000 0.452 371 E N 1.256 121.029 120.200 -0.712 0.000 2.440 371 E HA -0.295 4.065 4.350 0.016 0.000 0.246 371 E C 1.035 177.253 176.600 -0.636 0.000 1.165 371 E CA 1.205 57.010 56.400 -0.992 0.000 0.726 371 E CB -1.543 27.930 29.700 -0.377 0.000 1.271 371 E HN 2.251 nan 8.360 nan 0.000 0.397 372 G N 0.350 108.783 108.800 -0.613 0.000 2.179 372 G HA2 -0.368 3.602 3.960 0.016 0.000 0.260 372 G HA3 -0.368 3.602 3.960 0.016 0.000 0.260 372 G C 0.088 175.067 174.900 0.132 0.000 0.977 372 G CA 0.809 45.889 45.100 -0.035 0.000 0.641 372 G HN 0.408 nan 8.290 nan 0.000 0.533 373 K N 0.402 120.806 120.400 0.008 0.000 2.270 373 K HA 0.645 4.974 4.320 0.016 0.000 0.255 373 K C -0.400 176.234 176.600 0.057 0.000 0.936 373 K CA -0.705 55.612 56.287 0.050 0.000 0.809 373 K CB 1.628 34.142 32.500 0.024 0.000 1.131 373 K HN -0.014 nan 8.250 nan 0.000 0.427 374 T N 1.935 116.539 114.554 0.083 0.000 2.867 374 T HA 0.039 4.399 4.350 0.016 0.000 0.297 374 T C 1.180 175.949 174.700 0.115 0.000 0.989 374 T CA -0.349 61.816 62.100 0.108 0.000 1.159 374 T CB 0.473 69.406 68.868 0.108 0.000 0.928 374 T HN 0.580 nan 8.240 nan 0.000 0.538 375 V N 0.296 120.302 119.914 0.153 0.000 3.645 375 V HA 0.479 4.609 4.120 0.016 0.000 0.275 375 V C 0.614 176.776 176.094 0.113 0.000 1.356 375 V CA -0.165 62.231 62.300 0.161 0.000 1.051 375 V CB 0.508 32.485 31.823 0.257 0.000 0.828 375 V HN 0.689 nan 8.190 nan 0.000 0.441 376 S N 0.200 115.974 115.700 0.123 0.000 2.572 376 S HA 0.449 4.929 4.470 0.016 0.000 0.274 376 S C 0.141 174.828 174.600 0.145 0.000 1.150 376 S CA -0.428 57.832 58.200 0.100 0.000 0.944 376 S CB 1.952 65.171 63.200 0.032 0.000 1.071 376 S HN 0.308 nan 8.310 nan 0.000 0.479 377 E N 2.042 122.314 120.200 0.120 0.000 2.489 377 E HA 0.100 4.460 4.350 0.016 0.000 0.193 377 E C -0.060 176.612 176.600 0.119 0.000 1.057 377 E CA 0.287 56.754 56.400 0.112 0.000 0.866 377 E CB 0.217 29.966 29.700 0.081 0.000 0.916 377 E HN 0.570 nan 8.360 nan 0.000 0.500 378 Q N 0.845 120.733 119.800 0.146 0.000 2.235 378 Q HA 0.200 4.550 4.340 0.016 0.000 0.250 378 Q C 0.121 176.263 176.000 0.238 0.000 0.909 378 Q CA -0.169 55.727 55.803 0.155 0.000 0.910 378 Q CB 1.164 29.983 28.738 0.136 0.000 1.223 378 Q HN 0.138 nan 8.270 nan 0.000 0.432 379 E N 2.639 122.944 120.200 0.175 0.000 2.467 379 E HA 0.029 4.388 4.350 0.016 0.000 0.264 379 E C -0.379 176.398 176.600 0.295 0.000 1.020 379 E CA 0.429 56.930 56.400 0.168 0.000 0.945 379 E CB 0.503 30.282 29.700 0.132 0.000 0.942 379 E HN 0.486 nan 8.360 nan 0.000 0.449 380 W N 1.606 123.001 121.300 0.159 0.000 3.296 380 W HA 0.405 5.075 4.660 0.016 0.000 0.314 380 W C -1.613 175.021 176.519 0.193 0.000 1.238 380 W CA -1.088 56.354 57.345 0.161 0.000 1.193 380 W CB 0.366 29.944 29.460 0.197 0.000 1.383 380 W HN 0.558 nan 8.180 nan 0.000 0.545 381 N N 1.550 120.383 118.700 0.221 0.000 2.225 381 N HA 0.498 5.248 4.740 0.016 0.000 0.298 381 N C -1.760 173.990 175.510 0.400 0.000 1.076 381 N CA -0.645 52.452 53.050 0.078 0.000 0.792 381 N CB 2.057 40.510 38.487 -0.056 0.000 1.498 381 N HN 0.409 nan 8.380 nan 0.000 0.474 382 N N 1.085 120.081 118.700 0.493 0.000 2.793 382 N HA 0.214 4.964 4.740 0.016 0.000 0.251 382 N C -0.678 175.035 175.510 0.338 0.000 1.308 382 N CA -0.317 52.974 53.050 0.402 0.000 0.781 382 N CB 0.950 39.685 38.487 0.413 0.000 1.439 382 N HN 0.712 nan 8.380 nan 0.000 0.562 383 R N 0.289 120.914 120.500 0.207 0.000 2.316 383 R HA 0.103 4.453 4.340 0.016 0.000 0.202 383 R C 1.126 177.518 176.300 0.154 0.000 1.029 383 R CA 0.647 56.860 56.100 0.189 0.000 1.018 383 R CB 0.195 30.592 30.300 0.161 0.000 0.888 383 R HN 0.321 nan 8.270 nan 0.000 0.471 384 S N 0.744 116.520 115.700 0.128 0.000 2.474 384 S HA 0.000 4.480 4.470 0.016 0.000 0.235 384 S C 1.452 176.101 174.600 0.081 0.000 0.997 384 S CA 0.759 59.005 58.200 0.076 0.000 0.949 384 S CB 0.063 63.300 63.200 0.062 0.000 0.766 384 S HN 0.304 nan 8.310 nan 0.000 0.517 385 L N 0.689 122.011 121.223 0.166 0.000 2.607 385 L HA 0.213 4.563 4.340 0.016 0.000 0.228 385 L C 1.064 178.102 176.870 0.280 0.000 1.123 385 L CA -0.036 54.930 54.840 0.210 0.000 0.890 385 L CB -0.206 41.973 42.059 0.200 0.000 1.103 385 L HN 0.273 nan 8.230 nan 0.000 0.468 386 Q N 1.524 121.473 119.800 0.249 0.000 2.300 386 Q HA -0.004 4.346 4.340 0.016 0.000 0.280 386 Q C -0.605 175.515 176.000 0.200 0.000 1.033 386 Q CA 0.056 56.001 55.803 0.236 0.000 0.903 386 Q CB 0.832 29.708 28.738 0.230 0.000 1.195 386 Q HN 0.161 nan 8.270 nan 0.000 0.386 387 D N 1.904 122.415 120.400 0.186 0.000 2.423 387 D HA 0.160 4.809 4.640 0.016 0.000 0.255 387 D C -0.531 175.843 176.300 0.124 0.000 1.174 387 D CA -0.401 53.677 54.000 0.130 0.000 1.008 387 D CB 0.957 41.786 40.800 0.048 0.000 1.101 387 D HN 0.313 nan 8.370 nan 0.000 0.516 388 V N 1.843 121.826 119.914 0.115 0.000 2.446 388 V HA 0.057 4.187 4.120 0.016 0.000 0.276 388 V C 0.594 176.866 176.094 0.296 0.000 1.030 388 V CA 0.084 62.499 62.300 0.192 0.000 1.033 388 V CB -0.346 31.644 31.823 0.278 0.000 0.993 388 V HN 0.203 nan 8.190 nan 0.000 0.477 389 L N 6.978 128.336 121.223 0.225 0.000 2.387 389 L HA 0.499 4.849 4.340 0.016 0.000 0.266 389 L C -2.183 174.622 176.870 -0.109 0.000 1.059 389 L CA -2.143 52.832 54.840 0.226 0.000 0.801 389 L CB 0.985 43.160 42.059 0.194 0.000 1.223 389 L HN 0.359 nan 8.230 nan 0.000 0.456 390 P HA -0.008 nan 4.420 nan 0.000 0.265 390 P C 0.359 177.036 177.300 -1.038 0.000 1.187 390 P CA 0.221 62.701 63.100 -1.032 0.000 0.766 390 P CB 0.494 31.857 31.700 -0.562 0.000 0.820 391 T N 0.822 114.658 114.554 -1.197 0.000 2.833 391 T HA -0.087 4.273 4.350 0.016 0.000 0.269 391 T C 0.166 174.185 174.700 -1.136 0.000 1.054 391 T CA 1.207 62.514 62.100 -1.321 0.000 1.135 391 T CB -0.162 67.741 68.868 -1.608 0.000 0.869 391 T HN 0.422 nan 8.240 nan 0.000 0.466 392 W N 2.202 123.227 121.300 -0.458 0.000 2.411 392 W HA 0.489 5.160 4.660 0.019 0.000 0.317 392 W C -0.444 175.794 176.519 -0.468 0.000 1.030 392 W CA -1.087 56.092 57.345 -0.277 0.000 1.239 392 W CB 0.557 29.936 29.460 -0.135 0.000 1.304 392 W HN -0.180 nan 8.180 nan 0.000 0.437 393 R N 3.053 123.385 120.500 -0.280 0.000 2.402 393 R HA 0.330 4.680 4.340 0.016 0.000 0.290 393 R C -1.174 174.942 176.300 -0.307 0.000 1.321 393 R CA -0.323 55.177 56.100 -1.000 0.000 1.283 393 R CB 0.644 30.408 30.300 -0.893 0.000 1.111 393 R HN 0.403 nan 8.270 nan 0.000 0.578 394 W N 1.933 123.325 121.300 0.154 0.000 3.031 394 W HA 0.572 5.241 4.660 0.016 0.000 0.337 394 W C -0.152 176.375 176.519 0.013 0.000 1.187 394 W CA -0.669 56.722 57.345 0.077 0.000 1.166 394 W CB 1.566 31.037 29.460 0.019 0.000 1.437 394 W HN 0.125 nan 8.180 nan 0.000 0.551 395 I N 2.547 123.228 120.570 0.186 0.000 2.439 395 I HA 0.302 4.482 4.170 0.016 0.000 0.285 395 I C -0.451 175.566 176.117 -0.167 0.000 1.021 395 I CA -0.716 60.540 61.300 -0.073 0.000 1.091 395 I CB 1.287 39.148 38.000 -0.232 0.000 1.242 395 I HN 0.377 nan 8.210 nan 0.000 0.439 396 Q N 4.987 124.636 119.800 -0.251 0.000 2.458 396 Q HA 0.594 4.944 4.340 0.016 0.000 0.282 396 Q C -1.290 174.424 176.000 -0.476 0.000 1.106 396 Q CA -1.052 54.614 55.803 -0.227 0.000 0.814 396 Q CB 3.145 31.890 28.738 0.012 0.000 1.425 396 Q HN 0.487 nan 8.270 nan 0.000 0.437 397 H N -0.249 118.828 119.070 0.011 0.000 2.782 397 H HA 0.514 5.080 4.556 0.016 0.000 0.347 397 H C -0.072 175.262 175.328 0.009 0.000 1.038 397 H CA 0.124 56.166 56.048 -0.009 0.000 1.255 397 H CB 1.828 31.564 29.762 -0.044 0.000 1.623 397 H HN 0.916 nan 8.280 nan 0.000 0.525 398 G N 1.181 110.045 108.800 0.108 0.000 2.712 398 G HA2 0.325 4.294 3.960 0.016 0.000 0.686 398 G HA3 0.325 4.294 3.960 0.016 0.000 0.686 398 G C 0.194 175.103 174.900 0.015 0.000 1.321 398 G CA -0.178 44.954 45.100 0.053 0.000 0.813 398 G HN 1.335 nan 8.290 nan 0.000 0.599 399 G N 0.064 108.845 108.800 -0.030 0.000 2.796 399 G HA2 0.324 4.293 3.960 0.016 0.000 0.226 399 G HA3 0.324 4.293 3.960 0.016 0.000 0.226 399 G C -0.170 174.678 174.900 -0.087 0.000 1.381 399 G CA 0.927 45.974 45.100 -0.088 0.000 0.867 399 G HN 2.237 nan 8.290 nan 0.000 0.552 400 D N -0.431 119.890 120.400 -0.133 0.000 2.749 400 D HA 0.538 5.188 4.640 0.016 0.000 0.338 400 D C 0.029 176.216 176.300 -0.188 0.000 1.236 400 D CA -0.333 53.591 54.000 -0.127 0.000 0.845 400 D CB -0.159 40.573 40.800 -0.114 0.000 1.080 400 D HN 0.483 nan 8.370 nan 0.000 0.497 401 L N 0.541 121.643 121.223 -0.201 0.000 2.313 401 L HA 0.603 4.953 4.340 0.016 0.000 0.268 401 L C 0.492 177.245 176.870 -0.194 0.000 1.010 401 L CA -0.761 53.900 54.840 -0.299 0.000 0.814 401 L CB 1.662 43.409 42.059 -0.519 0.000 1.304 401 L HN 0.027 nan 8.230 nan 0.000 0.441 402 E N 0.227 120.248 120.200 -0.298 0.000 2.227 402 E HA 0.765 5.125 4.350 0.016 0.000 0.268 402 E C -1.191 175.306 176.600 -0.171 0.000 0.907 402 E CA -1.049 55.215 56.400 -0.227 0.000 0.786 402 E CB 2.166 31.691 29.700 -0.291 0.000 1.191 402 E HN 0.606 nan 8.360 nan 0.000 0.411 403 A N 1.811 124.402 122.820 -0.382 0.000 2.303 403 A HA 0.703 5.033 4.320 0.016 0.000 0.320 403 A C -0.377 176.609 177.584 -0.996 0.000 1.192 403 A CA -0.444 51.097 52.037 -0.826 0.000 0.821 403 A CB 0.811 18.918 19.000 -1.489 0.000 1.188 403 A HN 0.603 nan 8.150 nan 0.000 0.492 404 T N -1.003 113.185 114.554 -0.610 0.000 2.843 404 T HA 0.685 5.045 4.350 0.016 0.000 0.302 404 T C -0.565 173.959 174.700 -0.292 0.000 1.232 404 T CA -0.631 61.329 62.100 -0.233 0.000 1.009 404 T CB 0.534 69.449 68.868 0.078 0.000 1.254 404 T HN 0.248 nan 8.240 nan 0.000 0.504 405 F N 1.504 121.450 119.950 -0.006 0.000 2.418 405 F HA 0.564 5.100 4.527 0.015 0.000 0.341 405 F C 1.331 176.797 175.800 -0.557 0.000 1.120 405 F CA -0.005 57.792 58.000 -0.338 0.000 1.232 405 F CB 1.200 39.864 39.000 -0.559 0.000 1.175 405 F HN 0.690 nan 8.300 nan 0.000 0.569 406 S N 2.572 118.066 115.700 -0.344 0.000 2.482 406 S HA 0.364 4.844 4.470 0.016 0.000 0.303 406 S C -0.310 174.051 174.600 -0.398 0.000 1.091 406 S CA -0.677 57.395 58.200 -0.214 0.000 1.057 406 S CB 0.652 63.932 63.200 0.134 0.000 1.031 406 S HN 0.678 nan 8.310 nan 0.000 0.485 407 W N 2.571 123.979 121.300 0.181 0.000 3.102 407 W HA 0.306 4.976 4.660 0.016 0.000 0.401 407 W C 0.809 177.337 176.519 0.014 0.000 1.070 407 W CA -0.208 57.192 57.345 0.093 0.000 1.921 407 W CB 0.118 29.634 29.460 0.092 0.000 1.118 407 W HN 0.773 nan 8.180 nan 0.000 0.647 408 E N 0.240 120.527 120.200 0.145 0.000 2.473 408 E HA 0.021 4.380 4.350 0.016 0.000 0.204 408 E C 0.273 176.848 176.600 -0.041 0.000 0.994 408 E CA 0.581 57.008 56.400 0.044 0.000 0.945 408 E CB 0.748 30.458 29.700 0.017 0.000 0.990 408 E HN 0.031 nan 8.360 nan 0.000 0.493 409 E N 0.311 120.487 120.200 -0.041 0.000 2.292 409 E HA 0.624 4.983 4.350 0.016 0.000 0.272 409 E C -1.190 175.555 176.600 0.242 0.000 0.881 409 E CA -0.580 55.814 56.400 -0.011 0.000 0.754 409 E CB 2.338 31.782 29.700 -0.427 0.000 1.201 409 E HN 0.042 nan 8.360 nan 0.000 0.425 410 A N 2.131 125.184 122.820 0.388 0.000 2.547 410 A HA 0.522 4.852 4.320 0.016 0.000 0.297 410 A C -1.000 176.660 177.584 0.128 0.000 1.056 410 A CA -0.591 51.607 52.037 0.268 0.000 0.688 410 A CB 0.789 19.862 19.000 0.122 0.000 1.282 410 A HN 0.527 nan 8.150 nan 0.000 0.400 411 F N 0.767 120.460 119.950 -0.429 0.000 2.315 411 F HA 0.365 4.901 4.527 0.014 0.000 0.284 411 F C 0.309 175.900 175.800 -0.348 0.000 1.049 411 F CA 1.095 58.614 58.000 -0.801 0.000 1.323 411 F CB 0.546 38.855 39.000 -1.152 0.000 1.113 411 F HN 0.481 nan 8.300 nan 0.000 0.544 412 E N 0.559 120.629 120.200 -0.217 0.000 2.255 412 E HA 0.493 4.853 4.350 0.016 0.000 0.256 412 E C 0.264 176.699 176.600 -0.276 0.000 0.887 412 E CA 0.294 56.529 56.400 -0.276 0.000 0.782 412 E CB 0.964 30.451 29.700 -0.355 0.000 1.214 412 E HN 0.463 nan 8.360 nan 0.000 0.417 413 G N 2.372 110.785 108.800 -0.647 0.000 2.501 413 G HA2 -0.184 3.786 3.960 0.016 0.000 0.213 413 G HA3 -0.184 3.786 3.960 0.016 0.000 0.213 413 G C 0.444 175.021 174.900 -0.539 0.000 1.158 413 G CA -0.162 44.279 45.100 -1.098 0.000 1.079 413 G HN 0.589 nan 8.290 nan 0.000 0.586 414 G N -0.191 108.681 108.800 0.120 0.000 3.441 414 G HA2 0.673 4.642 3.960 0.016 0.000 0.263 414 G HA3 0.673 4.642 3.960 0.016 0.000 0.263 414 G C 0.327 175.397 174.900 0.284 0.000 1.014 414 G CA 1.643 46.951 45.100 0.347 0.000 0.833 414 G HN 1.998 nan 8.290 nan 0.000 0.514 415 S N -0.533 115.287 115.700 0.199 0.000 2.596 415 S HA 0.817 5.296 4.470 0.016 0.000 0.270 415 S C -0.700 174.013 174.600 0.188 0.000 1.155 415 S CA -0.166 58.081 58.200 0.078 0.000 0.827 415 S CB 2.006 65.164 63.200 -0.070 0.000 1.130 415 S HN 0.770 nan 8.310 nan 0.000 0.467 416 S N 0.320 116.118 115.700 0.164 0.000 2.685 416 S HA 0.760 5.240 4.470 0.016 0.000 0.282 416 S C -1.350 173.305 174.600 0.091 0.000 1.159 416 S CA -0.956 57.399 58.200 0.258 0.000 0.833 416 S CB 1.087 64.525 63.200 0.396 0.000 1.151 416 S HN 1.175 nan 8.310 nan 0.000 0.485 417 L N 1.821 122.925 121.223 -0.199 0.000 2.281 417 L HA 0.488 4.838 4.340 0.016 0.000 0.285 417 L C 0.013 176.717 176.870 -0.276 0.000 1.074 417 L CA 0.095 54.651 54.840 -0.472 0.000 0.817 417 L CB 0.826 42.321 42.059 -0.940 0.000 1.168 417 L HN 0.874 nan 8.230 nan 0.000 0.434 418 Q N 4.276 123.920 119.800 -0.260 0.000 2.257 418 Q HA 0.275 4.625 4.340 0.016 0.000 0.255 418 Q C -1.937 173.995 176.000 -0.112 0.000 0.920 418 Q CA -0.635 55.024 55.803 -0.241 0.000 0.927 418 Q CB 1.048 29.654 28.738 -0.221 0.000 1.229 418 Q HN 0.744 nan 8.270 nan 0.000 0.433 419 W N 6.840 127.989 121.300 -0.251 0.000 2.587 419 W HA 0.337 5.008 4.660 0.018 0.000 0.324 419 W C -1.645 174.862 176.519 -0.019 0.000 1.008 419 W CA -0.310 56.943 57.345 -0.153 0.000 1.265 419 W CB 0.719 30.097 29.460 -0.136 0.000 1.328 419 W HN 0.727 nan 8.180 nan 0.000 0.432 420 H N 3.574 122.509 119.070 -0.224 0.000 3.064 420 H HA 0.779 5.345 4.556 0.016 0.000 0.352 420 H C -0.258 174.916 175.328 -0.257 0.000 1.260 420 H CA -0.268 55.605 56.048 -0.292 0.000 1.160 420 H CB 1.545 31.157 29.762 -0.250 0.000 1.879 420 H HN 0.789 nan 8.280 nan 0.000 0.544 421 G N 0.769 109.378 108.800 -0.318 0.000 2.470 421 G HA2 0.150 4.120 3.960 0.016 0.000 0.145 421 G HA3 0.150 4.120 3.960 0.016 0.000 0.145 421 G C -1.579 173.167 174.900 -0.257 0.000 1.223 421 G CA -0.165 44.751 45.100 -0.308 0.000 1.058 421 G HN 0.682 nan 8.290 nan 0.000 0.469 422 S N -0.280 115.276 115.700 -0.240 0.000 2.509 422 S HA 0.761 5.241 4.470 0.016 0.000 0.297 422 S C -1.137 173.325 174.600 -0.230 0.000 1.118 422 S CA -0.315 57.753 58.200 -0.219 0.000 1.074 422 S CB 1.614 64.714 63.200 -0.166 0.000 1.038 422 S HN 1.173 nan 8.310 nan 0.000 0.498 423 L N 3.024 124.111 121.223 -0.227 0.000 2.541 423 L HA 0.660 5.010 4.340 0.016 0.000 0.266 423 L C -0.208 176.556 176.870 -0.177 0.000 0.966 423 L CA -0.285 54.429 54.840 -0.209 0.000 0.871 423 L CB 0.844 42.753 42.059 -0.251 0.000 1.232 423 L HN 0.745 nan 8.230 nan 0.000 0.408 424 A N 3.387 126.121 122.820 -0.143 0.000 2.425 424 A HA 0.335 4.665 4.320 0.016 0.000 0.242 424 A C 0.232 177.741 177.584 -0.124 0.000 1.077 424 A CA -0.213 51.751 52.037 -0.121 0.000 0.781 424 A CB 0.091 19.036 19.000 -0.093 0.000 1.020 424 A HN 0.780 nan 8.150 nan 0.000 0.494 425 E N 0.233 120.370 120.200 -0.106 0.000 2.558 425 E HA 0.274 4.634 4.350 0.016 0.000 0.255 425 E C 1.315 177.854 176.600 -0.103 0.000 0.968 425 E CA 1.176 57.516 56.400 -0.099 0.000 0.939 425 E CB -0.133 29.523 29.700 -0.073 0.000 0.921 425 E HN 1.436 nan 8.360 nan 0.000 0.477 426 G N 3.719 112.437 108.800 -0.138 0.000 2.234 426 G HA2 -0.304 3.665 3.960 0.016 0.000 0.260 426 G HA3 -0.304 3.665 3.960 0.016 0.000 0.260 426 G C 0.015 174.788 174.900 -0.213 0.000 0.987 426 G CA 0.382 45.394 45.100 -0.147 0.000 0.625 426 G HN 0.608 nan 8.290 nan 0.000 0.532 427 E N 0.939 121.021 120.200 -0.196 0.000 2.313 427 E HA 0.468 4.828 4.350 0.016 0.000 0.272 427 E C -0.255 176.181 176.600 -0.273 0.000 1.038 427 E CA -0.505 55.810 56.400 -0.142 0.000 0.863 427 E CB 0.667 30.316 29.700 -0.084 0.000 1.060 427 E HN 0.547 nan 8.360 nan 0.000 0.402 428 H N -0.183 118.851 119.070 -0.060 0.000 2.529 428 H HA 0.619 5.185 4.556 0.016 0.000 0.348 428 H C -0.724 174.563 175.328 -0.069 0.000 1.152 428 H CA -0.789 55.216 56.048 -0.071 0.000 1.202 428 H CB 1.987 31.698 29.762 -0.084 0.000 1.562 428 H HN 0.554 nan 8.280 nan 0.000 0.515 429 A N 2.122 124.972 122.820 0.050 0.000 2.498 429 A HA 0.562 4.892 4.320 0.016 0.000 0.298 429 A C -1.126 176.562 177.584 0.173 0.000 1.075 429 A CA -0.754 51.333 52.037 0.084 0.000 0.714 429 A CB 2.179 21.183 19.000 0.007 0.000 1.299 429 A HN 0.651 nan 8.150 nan 0.000 0.407 430 Q N -0.160 119.742 119.800 0.169 0.000 2.389 430 Q HA 0.719 5.069 4.340 0.016 0.000 0.277 430 Q C -1.235 174.759 176.000 -0.009 0.000 1.082 430 Q CA -0.203 55.593 55.803 -0.012 0.000 0.810 430 Q CB 2.954 31.528 28.738 -0.273 0.000 1.374 430 Q HN 0.755 nan 8.270 nan 0.000 0.422 431 I N 0.442 120.833 120.570 -0.298 0.000 2.478 431 I HA 0.386 4.566 4.170 0.016 0.000 0.287 431 I C -1.188 174.748 176.117 -0.302 0.000 1.042 431 I CA -0.464 60.591 61.300 -0.408 0.000 1.067 431 I CB 1.348 38.770 38.000 -0.963 0.000 1.233 431 I HN 0.592 nan 8.210 nan 0.000 0.431 432 E N 7.149 127.218 120.200 -0.219 0.000 2.146 432 E HA 0.315 4.675 4.350 0.016 0.000 0.282 432 E C -0.022 176.706 176.600 0.213 0.000 0.989 432 E CA -0.306 55.981 56.400 -0.187 0.000 0.799 432 E CB 2.111 31.586 29.700 -0.376 0.000 1.088 432 E HN 0.677 nan 8.360 nan 0.000 0.397 433 L N 2.221 123.589 121.223 0.242 0.000 2.515 433 L HA 0.224 4.574 4.340 0.016 0.000 0.202 433 L C -0.153 176.516 176.870 -0.335 0.000 1.056 433 L CA 0.263 55.141 54.840 0.063 0.000 0.847 433 L CB 0.440 42.519 42.059 0.033 0.000 1.131 433 L HN 0.495 nan 8.230 nan 0.000 0.484 434 Y N -0.174 120.068 120.300 -0.096 0.000 2.425 434 Y HA 0.464 5.026 4.550 0.021 0.000 0.344 434 Y C -0.117 175.492 175.900 -0.485 0.000 0.969 434 Y CA -0.956 56.860 58.100 -0.473 0.000 1.052 434 Y CB 1.718 39.998 38.460 -0.299 0.000 1.215 434 Y HN -0.086 nan 8.280 nan 0.000 0.451 435 Q N 2.123 121.541 119.800 -0.637 0.000 2.261 435 Q HA 0.593 4.943 4.340 0.016 0.000 0.252 435 Q C -0.485 175.403 176.000 -0.186 0.000 0.915 435 Q CA -0.190 55.488 55.803 -0.208 0.000 0.915 435 Q CB 1.035 29.659 28.738 -0.190 0.000 1.204 435 Q HN 0.796 nan 8.270 nan 0.000 0.421 436 T N -0.003 114.473 114.554 -0.131 0.000 2.787 436 T HA 0.594 4.953 4.350 0.016 0.000 0.297 436 T C -1.058 173.556 174.700 -0.143 0.000 1.221 436 T CA -0.995 60.974 62.100 -0.218 0.000 1.006 436 T CB 1.470 70.165 68.868 -0.288 0.000 1.328 436 T HN 0.590 nan 8.240 nan 0.000 0.509 437 E N 0.822 120.929 120.200 -0.154 0.000 2.759 437 E HA 0.438 4.798 4.350 0.016 0.000 0.318 437 E C -1.700 174.843 176.600 -0.094 0.000 1.093 437 E CA -0.437 55.904 56.400 -0.099 0.000 0.762 437 E CB 0.486 30.144 29.700 -0.070 0.000 1.543 437 E HN 0.611 nan 8.360 nan 0.000 0.381 438 L N 4.974 126.141 121.223 -0.093 0.000 2.377 438 L HA 0.500 4.850 4.340 0.016 0.000 0.270 438 L C -2.337 174.501 176.870 -0.054 0.000 0.991 438 L CA -2.113 52.682 54.840 -0.074 0.000 0.851 438 L CB 1.536 43.540 42.059 -0.092 0.000 1.218 438 L HN 0.279 nan 8.230 nan 0.000 0.420 439 P HA 0.194 nan 4.420 nan 0.000 0.271 439 P C -0.485 176.804 177.300 -0.019 0.000 1.220 439 P CA 0.112 63.200 63.100 -0.021 0.000 0.768 439 P CB 0.944 32.637 31.700 -0.010 0.000 0.848 440 I N 2.090 122.653 120.570 -0.012 0.000 2.353 440 I HA 0.246 4.426 4.170 0.016 0.000 0.293 440 I C 0.656 176.782 176.117 0.014 0.000 0.992 440 I CA -0.009 61.288 61.300 -0.006 0.000 1.268 440 I CB 1.057 39.061 38.000 0.006 0.000 1.387 440 I HN 0.282 nan 8.210 nan 0.000 0.478 441 S N 3.934 119.641 115.700 0.012 0.000 2.709 441 S HA 0.348 4.828 4.470 0.016 0.000 0.302 441 S C -0.707 173.903 174.600 0.016 0.000 1.127 441 S CA -0.992 57.217 58.200 0.014 0.000 0.905 441 S CB 1.484 64.690 63.200 0.010 0.000 1.151 441 S HN 0.499 nan 8.310 nan 0.000 0.510 442 E N 0.443 120.651 120.200 0.013 0.000 2.529 442 E HA 0.297 4.657 4.350 0.016 0.000 0.259 442 E C 0.997 177.606 176.600 0.014 0.000 0.966 442 E CA 0.912 57.319 56.400 0.012 0.000 0.937 442 E CB 0.064 29.769 29.700 0.008 0.000 0.923 442 E HN 0.987 nan 8.360 nan 0.000 0.468 443 G N 3.089 111.899 108.800 0.017 0.000 2.213 443 G HA2 -0.258 3.712 3.960 0.016 0.000 0.236 443 G HA3 -0.258 3.712 3.960 0.016 0.000 0.236 443 G C 0.430 175.342 174.900 0.020 0.000 0.991 443 G CA 0.121 45.231 45.100 0.018 0.000 0.629 443 G HN 0.524 nan 8.290 nan 0.000 0.517 444 T N 1.787 116.351 114.554 0.016 0.000 2.884 444 T HA 0.589 4.949 4.350 0.016 0.000 0.298 444 T C 0.187 174.895 174.700 0.013 0.000 0.998 444 T CA 0.800 62.906 62.100 0.010 0.000 1.124 444 T CB 1.599 70.464 68.868 -0.004 0.000 0.931 444 T HN 0.363 nan 8.240 nan 0.000 0.531 445 S N 1.787 117.499 115.700 0.020 0.000 2.595 445 S HA 0.570 5.049 4.470 0.016 0.000 0.281 445 S C -0.751 173.877 174.600 0.047 0.000 1.117 445 S CA -0.795 57.429 58.200 0.039 0.000 0.873 445 S CB 1.340 64.580 63.200 0.066 0.000 1.108 445 S HN 0.524 nan 8.310 nan 0.000 0.477 446 L N 2.572 123.848 121.223 0.089 0.000 2.292 446 L HA 0.559 4.909 4.340 0.016 0.000 0.284 446 L C 0.063 177.145 176.870 0.355 0.000 1.065 446 L CA -0.112 54.838 54.840 0.183 0.000 0.806 446 L CB 1.336 43.495 42.059 0.167 0.000 1.175 446 L HN 0.823 nan 8.230 nan 0.000 0.431 447 T N -0.402 114.362 114.554 0.349 0.000 2.876 447 T HA 0.704 5.064 4.350 0.016 0.000 0.289 447 T C -1.114 173.911 174.700 0.541 0.000 1.014 447 T CA -0.724 61.578 62.100 0.338 0.000 0.986 447 T CB 1.429 70.376 68.868 0.131 0.000 1.021 447 T HN 0.630 nan 8.240 nan 0.000 0.458 448 W N 0.163 121.610 121.300 0.245 0.000 3.217 448 W HA 0.714 5.382 4.660 0.013 0.000 0.323 448 W C -1.764 174.924 176.519 0.282 0.000 1.216 448 W CA -1.107 56.417 57.345 0.298 0.000 1.194 448 W CB 0.967 30.732 29.460 0.508 0.000 1.397 448 W HN 0.691 nan 8.180 nan 0.000 0.537 449 T N 3.624 118.367 114.554 0.314 0.000 2.881 449 T HA 0.711 5.070 4.350 0.016 0.000 0.290 449 T C -1.219 173.721 174.700 0.401 0.000 1.000 449 T CA -0.515 61.622 62.100 0.062 0.000 0.978 449 T CB 0.961 69.510 68.868 -0.531 0.000 0.997 449 T HN 0.661 nan 8.240 nan 0.000 0.443 450 F N -0.248 119.862 119.950 0.267 0.000 2.713 450 F HA 0.805 5.341 4.527 0.015 0.000 0.311 450 F C -1.527 174.359 175.800 0.144 0.000 1.141 450 F CA -1.415 56.798 58.000 0.356 0.000 0.939 450 F CB 1.486 40.624 39.000 0.231 0.000 1.325 450 F HN 0.224 nan 8.300 nan 0.000 0.453 451 K N 0.903 121.247 120.400 -0.093 0.000 2.259 451 K HA 0.651 4.981 4.320 0.016 0.000 0.249 451 K C -1.361 175.351 176.600 0.186 0.000 0.942 451 K CA -1.181 54.925 56.287 -0.301 0.000 0.816 451 K CB 2.068 34.202 32.500 -0.611 0.000 1.155 451 K HN 0.701 nan 8.250 nan 0.000 0.428 452 S N 1.585 117.339 115.700 0.091 0.000 2.779 452 S HA 0.100 4.579 4.470 0.016 0.000 0.293 452 S C 0.294 174.806 174.600 -0.146 0.000 1.150 452 S CA -0.571 57.658 58.200 0.050 0.000 1.057 452 S CB 1.099 64.509 63.200 0.350 0.000 1.021 452 S HN 0.685 nan 8.310 nan 0.000 0.485 453 E N 2.567 122.602 120.200 -0.276 0.000 2.150 453 E HA -0.093 4.267 4.350 0.016 0.000 0.193 453 E C 0.419 176.736 176.600 -0.472 0.000 0.985 453 E CA 1.076 57.245 56.400 -0.384 0.000 0.814 453 E CB 0.014 29.416 29.700 -0.498 0.000 0.752 453 E HN 0.778 nan 8.360 nan 0.000 0.466 454 H N -1.595 117.364 119.070 -0.185 0.000 2.549 454 H HA 0.203 4.769 4.556 0.016 0.000 0.279 454 H C 1.223 176.489 175.328 -0.104 0.000 1.018 454 H CA 0.729 56.688 56.048 -0.148 0.000 1.175 454 H CB 1.164 30.816 29.762 -0.184 0.000 1.485 454 H HN 0.325 nan 8.280 nan 0.000 0.543 455 G N 1.300 110.093 108.800 -0.013 0.000 2.195 455 G HA2 -0.262 3.708 3.960 0.016 0.000 0.246 455 G HA3 -0.262 3.708 3.960 0.016 0.000 0.246 455 G C 0.218 175.188 174.900 0.117 0.000 0.984 455 G CA -0.209 44.919 45.100 0.047 0.000 0.633 455 G HN 0.410 nan 8.290 nan 0.000 0.525 456 N N 1.565 120.321 118.700 0.094 0.000 2.458 456 N HA 0.245 4.995 4.740 0.016 0.000 0.258 456 N C -0.314 175.444 175.510 0.413 0.000 1.219 456 N CA 0.159 53.323 53.050 0.189 0.000 0.902 456 N CB 0.811 39.392 38.487 0.156 0.000 1.076 456 N HN 0.314 nan 8.380 nan 0.000 0.455 457 D N 0.945 121.573 120.400 0.380 0.000 2.360 457 D HA 0.195 4.845 4.640 0.016 0.000 0.242 457 D C -0.793 175.687 176.300 0.300 0.000 1.184 457 D CA -0.173 54.108 54.000 0.468 0.000 0.930 457 D CB 0.750 41.782 40.800 0.388 0.000 1.161 457 D HN 0.197 nan 8.370 nan 0.000 0.447 458 L N 3.080 124.300 121.223 -0.005 0.000 2.319 458 L HA 0.402 4.752 4.340 0.016 0.000 0.281 458 L C -0.974 175.927 176.870 0.052 0.000 1.005 458 L CA -0.603 53.998 54.840 -0.398 0.000 0.828 458 L CB 1.037 42.325 42.059 -1.284 0.000 1.227 458 L HN 0.234 nan 8.230 nan 0.000 0.415 459 N N 3.121 121.844 118.700 0.038 0.000 2.492 459 N HA 0.420 5.169 4.740 0.016 0.000 0.289 459 N C -0.825 174.609 175.510 -0.127 0.000 1.133 459 N CA -0.431 52.661 53.050 0.070 0.000 0.961 459 N CB 2.356 40.894 38.487 0.085 0.000 1.186 459 N HN 0.419 nan 8.380 nan 0.000 0.493 460 V N -0.279 119.342 119.914 -0.489 0.000 2.716 460 V HA 0.803 4.932 4.120 0.016 0.000 0.304 460 V C 0.272 176.197 176.094 -0.281 0.000 1.053 460 V CA -0.339 61.520 62.300 -0.735 0.000 0.984 460 V CB 1.422 32.383 31.823 -1.438 0.000 1.021 460 V HN 0.722 nan 8.190 nan 0.000 0.467 461 G N 4.428 113.014 108.800 -0.356 0.000 2.542 461 G HA2 0.746 4.716 3.960 0.016 0.000 0.311 461 G HA3 0.746 4.716 3.960 0.016 0.000 0.311 461 G C -1.390 173.394 174.900 -0.193 0.000 1.298 461 G CA -0.565 44.216 45.100 -0.532 0.000 0.973 461 G HN 0.936 nan 8.290 nan 0.000 0.487 462 F N -0.096 119.665 119.950 -0.315 0.000 2.601 462 F HA 0.799 5.338 4.527 0.020 0.000 0.309 462 F C -0.534 175.020 175.800 -0.409 0.000 1.089 462 F CA -1.583 56.267 58.000 -0.250 0.000 0.940 462 F CB 1.985 40.803 39.000 -0.304 0.000 1.273 462 F HN 0.548 nan 8.300 nan 0.000 0.450 463 R N 3.532 123.740 120.500 -0.487 0.000 2.460 463 R HA 0.733 5.082 4.340 0.016 0.000 0.303 463 R C -1.675 174.418 176.300 -0.344 0.000 0.968 463 R CA -0.675 54.980 56.100 -0.743 0.000 0.889 463 R CB 1.401 30.904 30.300 -1.328 0.000 1.123 463 R HN 0.955 nan 8.270 nan 0.000 0.455 464 L N 2.579 123.637 121.223 -0.275 0.000 2.322 464 L HA 0.288 4.638 4.340 0.016 0.000 0.279 464 L C -0.083 176.708 176.870 -0.131 0.000 1.036 464 L CA -1.002 53.752 54.840 -0.143 0.000 0.807 464 L CB 1.541 43.549 42.059 -0.085 0.000 1.226 464 L HN 0.683 nan 8.230 nan 0.000 0.433 465 D N 1.519 121.867 120.400 -0.087 0.000 2.533 465 D HA 0.259 4.908 4.640 0.016 0.000 0.236 465 D C 1.052 177.320 176.300 -0.053 0.000 1.137 465 D CA 1.757 55.718 54.000 -0.066 0.000 0.867 465 D CB 0.767 41.542 40.800 -0.042 0.000 1.170 465 D HN 0.741 nan 8.370 nan 0.000 0.474 466 G N 2.908 111.675 108.800 -0.055 0.000 2.175 466 G HA2 -0.232 3.738 3.960 0.016 0.000 0.244 466 G HA3 -0.232 3.738 3.960 0.016 0.000 0.244 466 G C 0.082 174.948 174.900 -0.057 0.000 0.982 466 G CA 0.231 45.305 45.100 -0.044 0.000 0.641 466 G HN 0.577 nan 8.290 nan 0.000 0.527 467 E N -0.734 119.413 120.200 -0.089 0.000 2.288 467 E HA 0.633 4.993 4.350 0.016 0.000 0.268 467 E C 0.818 177.334 176.600 -0.139 0.000 0.885 467 E CA -0.022 56.313 56.400 -0.107 0.000 0.767 467 E CB 1.451 31.074 29.700 -0.128 0.000 1.220 467 E HN 0.285 nan 8.360 nan 0.000 0.427 468 E N 2.062 122.192 120.200 -0.116 0.000 2.276 468 E HA -0.014 4.346 4.350 0.016 0.000 0.193 468 E C 0.116 176.641 176.600 -0.125 0.000 0.983 468 E CA 0.724 57.058 56.400 -0.111 0.000 0.861 468 E CB 0.018 29.676 29.700 -0.069 0.000 0.817 468 E HN 0.376 nan 8.360 nan 0.000 0.485 469 D N -0.950 119.376 120.400 -0.124 0.000 2.225 469 D HA 0.443 5.093 4.640 0.016 0.000 0.249 469 D C -0.613 175.582 176.300 -0.176 0.000 1.052 469 D CA -0.556 53.401 54.000 -0.071 0.000 0.909 469 D CB 0.986 41.757 40.800 -0.049 0.000 1.186 469 D HN 0.169 nan 8.370 nan 0.000 0.431 470 F N 0.683 120.491 119.950 -0.236 0.000 2.418 470 F HA 0.227 4.764 4.527 0.016 0.000 0.341 470 F C 1.455 176.880 175.800 -0.625 0.000 1.120 470 F CA -0.146 57.562 58.000 -0.486 0.000 1.232 470 F CB 0.686 39.300 39.000 -0.643 0.000 1.175 470 F HN -0.123 nan 8.300 nan 0.000 0.569 471 R N 2.479 122.537 120.500 -0.738 0.000 2.207 471 R HA 0.310 4.660 4.340 0.016 0.000 0.334 471 R C -1.630 174.138 176.300 -0.887 0.000 1.013 471 R CA -0.597 55.039 56.100 -0.772 0.000 0.858 471 R CB 0.637 30.279 30.300 -1.096 0.000 1.094 471 R HN 0.500 nan 8.270 nan 0.000 0.457 472 Y N 1.776 121.921 120.300 -0.258 0.000 2.328 472 Y HA 0.415 4.975 4.550 0.018 0.000 0.337 472 Y C 0.082 175.916 175.900 -0.110 0.000 1.008 472 Y CA -0.653 57.341 58.100 -0.177 0.000 1.129 472 Y CB 1.681 40.073 38.460 -0.115 0.000 1.185 472 Y HN 0.175 nan 8.280 nan 0.000 0.476 473 V N 2.981 122.933 119.914 0.063 0.000 2.808 473 V HA 0.247 4.377 4.120 0.016 0.000 0.308 473 V C -0.429 175.729 176.094 0.107 0.000 1.099 473 V CA -1.516 60.844 62.300 0.099 0.000 0.920 473 V CB 2.018 33.957 31.823 0.193 0.000 1.014 473 V HN 0.686 nan 8.190 nan 0.000 0.425 474 E N 1.917 122.159 120.200 0.070 0.000 2.392 474 E HA 0.332 4.692 4.350 0.016 0.000 0.264 474 E C 0.606 177.171 176.600 -0.059 0.000 1.024 474 E CA 0.105 56.486 56.400 -0.032 0.000 0.903 474 E CB 1.064 30.705 29.700 -0.100 0.000 0.963 474 E HN 0.904 nan 8.360 nan 0.000 0.432 475 G N 1.862 110.413 108.800 -0.416 0.000 2.491 475 G HA2 -0.078 3.892 3.960 0.016 0.000 0.238 475 G HA3 -0.078 3.892 3.960 0.016 0.000 0.238 475 G C 0.251 174.806 174.900 -0.575 0.000 1.277 475 G CA -0.156 44.558 45.100 -0.642 0.000 0.851 475 G HN 0.612 nan 8.290 nan 0.000 0.573 476 E N -0.154 120.031 120.200 -0.025 0.000 2.228 476 E HA 0.009 4.369 4.350 0.016 0.000 0.197 476 E C 0.369 177.158 176.600 0.316 0.000 0.909 476 E CA 0.384 56.851 56.400 0.110 0.000 0.911 476 E CB 0.284 30.052 29.700 0.112 0.000 0.887 476 E HN 0.615 nan 8.360 nan 0.000 0.481 477 Q N 1.416 121.434 119.800 0.362 0.000 2.322 477 Q HA 0.440 4.790 4.340 0.016 0.000 0.265 477 Q C -0.688 175.453 176.000 0.235 0.000 0.985 477 Q CA -0.374 55.590 55.803 0.269 0.000 0.849 477 Q CB 2.719 31.540 28.738 0.138 0.000 1.274 477 Q HN -0.030 nan 8.270 nan 0.000 0.449 478 R N 1.643 122.155 120.500 0.019 0.000 2.589 478 R HA 0.401 4.750 4.340 0.016 0.000 0.293 478 R C -1.122 175.017 176.300 -0.268 0.000 0.963 478 R CA -0.246 55.604 56.100 -0.417 0.000 0.905 478 R CB 1.576 31.406 30.300 -0.785 0.000 1.144 478 R HN 0.789 nan 8.270 nan 0.000 0.459 479 E N 2.158 122.172 120.200 -0.309 0.000 2.275 479 E HA 0.257 4.617 4.350 0.016 0.000 0.270 479 E C -1.467 174.999 176.600 -0.224 0.000 0.882 479 E CA -0.626 55.655 56.400 -0.198 0.000 0.758 479 E CB 2.094 31.726 29.700 -0.114 0.000 1.195 479 E HN 0.551 nan 8.360 nan 0.000 0.419 480 S N 3.974 119.577 115.700 -0.162 0.000 2.475 480 S HA 0.467 4.946 4.470 0.016 0.000 0.281 480 S C -0.237 174.341 174.600 -0.036 0.000 1.198 480 S CA -0.412 57.710 58.200 -0.129 0.000 1.063 480 S CB 0.294 63.424 63.200 -0.117 0.000 0.972 480 S HN 0.375 nan 8.310 nan 0.000 0.486 481 I N 3.183 123.776 120.570 0.038 0.000 2.448 481 I HA 0.296 4.476 4.170 0.016 0.000 0.281 481 I C -0.161 176.110 176.117 0.255 0.000 1.027 481 I CA -0.612 60.775 61.300 0.145 0.000 1.111 481 I CB 1.027 39.171 38.000 0.239 0.000 1.236 481 I HN 0.699 nan 8.210 nan 0.000 0.452 482 N N 4.694 123.494 118.700 0.166 0.000 2.714 482 N HA -0.235 4.514 4.740 0.016 0.000 0.252 482 N C 0.985 176.644 175.510 0.248 0.000 1.014 482 N CA 0.773 53.936 53.050 0.187 0.000 0.735 482 N CB -0.562 38.047 38.487 0.203 0.000 0.924 482 N HN 1.165 nan 8.380 nan 0.000 0.540 483 G N -2.733 106.133 108.800 0.111 0.000 2.195 483 G HA2 -0.308 3.662 3.960 0.016 0.000 0.246 483 G HA3 -0.308 3.662 3.960 0.016 0.000 0.246 483 G C -0.148 174.664 174.900 -0.146 0.000 0.984 483 G CA 0.139 45.218 45.100 -0.036 0.000 0.633 483 G HN 0.380 nan 8.290 nan 0.000 0.525 484 W N 0.844 122.071 121.300 -0.123 0.000 2.512 484 W HA 0.682 5.354 4.660 0.019 0.000 0.335 484 W C 0.321 176.593 176.519 -0.412 0.000 1.088 484 W CA -0.310 56.878 57.345 -0.262 0.000 1.236 484 W CB 1.401 30.718 29.460 -0.237 0.000 1.307 484 W HN 0.015 nan 8.180 nan 0.000 0.567 485 T N 2.701 116.981 114.554 -0.457 0.000 2.758 485 T HA 0.259 4.618 4.350 0.016 0.000 0.285 485 T C -0.783 173.574 174.700 -0.573 0.000 0.981 485 T CA -0.618 61.092 62.100 -0.651 0.000 0.965 485 T CB 0.991 69.255 68.868 -1.007 0.000 0.927 485 T HN 0.327 nan 8.240 nan 0.000 0.448 486 Q N 2.911 122.419 119.800 -0.486 0.000 2.348 486 Q HA 0.362 4.712 4.340 0.016 0.000 0.265 486 Q C -1.413 174.291 176.000 -0.492 0.000 0.998 486 Q CA -0.724 54.847 55.803 -0.387 0.000 0.831 486 Q CB 1.038 29.624 28.738 -0.254 0.000 1.251 486 Q HN 0.669 nan 8.270 nan 0.000 0.456 487 W N 2.087 123.069 121.300 -0.530 0.000 2.449 487 W HA 0.437 5.106 4.660 0.014 0.000 0.331 487 W C -0.184 175.985 176.519 -0.583 0.000 1.119 487 W CA -0.571 56.361 57.345 -0.688 0.000 1.240 487 W CB 2.055 30.687 29.460 -1.381 0.000 1.251 487 W HN 0.391 nan 8.180 nan 0.000 0.576 488 T N 3.617 118.194 114.554 0.038 0.000 2.841 488 T HA 0.485 4.845 4.350 0.016 0.000 0.283 488 T C -1.593 173.201 174.700 0.156 0.000 1.000 488 T CA -0.645 61.502 62.100 0.078 0.000 0.977 488 T CB 1.272 70.188 68.868 0.081 0.000 0.979 488 T HN 0.210 nan 8.240 nan 0.000 0.446 489 L N 5.485 126.849 121.223 0.235 0.000 2.388 489 L HA 0.526 4.876 4.340 0.016 0.000 0.267 489 L C -2.833 174.131 176.870 0.158 0.000 0.995 489 L CA -2.098 52.887 54.840 0.242 0.000 0.864 489 L CB 1.235 43.526 42.059 0.387 0.000 1.216 489 L HN 0.293 nan 8.230 nan 0.000 0.430 490 P HA 0.162 nan 4.420 nan 0.000 0.268 490 P C 0.044 177.399 177.300 0.092 0.000 1.205 490 P CA 0.200 63.352 63.100 0.087 0.000 0.771 490 P CB 0.631 32.375 31.700 0.074 0.000 0.858 491 L N 1.837 123.100 121.223 0.067 0.000 2.910 491 L HA 0.143 4.493 4.340 0.016 0.000 0.252 491 L C 0.685 177.634 176.870 0.132 0.000 1.195 491 L CA 0.201 55.108 54.840 0.112 0.000 1.003 491 L CB -0.183 41.858 42.059 -0.030 0.000 1.328 491 L HN 0.250 nan 8.230 nan 0.000 0.540 492 D N 1.402 121.839 120.400 0.061 0.000 2.221 492 D HA -0.195 4.454 4.640 0.016 0.000 0.204 492 D C 2.237 178.520 176.300 -0.029 0.000 0.982 492 D CA 1.264 55.277 54.000 0.021 0.000 0.857 492 D CB 0.158 40.963 40.800 0.008 0.000 0.934 492 D HN 0.356 nan 8.370 nan 0.000 0.475 493 A N -0.332 122.422 122.820 -0.110 0.000 2.121 493 A HA -0.063 4.267 4.320 0.016 0.000 0.218 493 A C 1.085 178.399 177.584 -0.450 0.000 1.154 493 A CA 0.720 52.565 52.037 -0.319 0.000 0.679 493 A CB -0.483 18.225 19.000 -0.486 0.000 0.795 493 A HN 0.220 nan 8.150 nan 0.000 0.458 494 F N -0.314 119.633 119.950 -0.004 0.000 2.639 494 F HA 0.472 5.007 4.527 0.014 0.000 0.302 494 F C 1.315 177.104 175.800 -0.018 0.000 1.097 494 F CA -0.478 57.520 58.000 -0.004 0.000 1.294 494 F CB -0.212 38.783 39.000 -0.009 0.000 1.027 494 F HN 0.159 nan 8.300 nan 0.000 0.550 495 A N 0.342 123.213 122.820 0.085 0.000 2.565 495 A HA 0.377 4.706 4.320 0.016 0.000 0.237 495 A C 1.617 179.229 177.584 0.047 0.000 1.053 495 A CA 1.053 53.121 52.037 0.052 0.000 0.755 495 A CB -0.635 18.377 19.000 0.020 0.000 0.980 495 A HN 1.028 nan 8.150 nan 0.000 0.506 496 G N 0.686 109.509 108.800 0.039 0.000 2.241 496 G HA2 -0.194 3.776 3.960 0.016 0.000 0.244 496 G HA3 -0.194 3.776 3.960 0.016 0.000 0.244 496 G C 0.301 175.225 174.900 0.039 0.000 0.998 496 G CA 0.449 45.567 45.100 0.031 0.000 0.621 496 G HN 0.884 nan 8.290 nan 0.000 0.519 497 Q N 0.351 120.189 119.800 0.064 0.000 2.199 497 Q HA 0.660 5.010 4.340 0.016 0.000 0.232 497 Q C -0.446 175.566 176.000 0.020 0.000 0.969 497 Q CA 0.148 55.988 55.803 0.061 0.000 0.925 497 Q CB 1.273 30.087 28.738 0.127 0.000 1.198 497 Q HN 0.223 nan 8.270 nan 0.000 0.494 498 T N 0.936 115.488 114.554 -0.004 0.000 2.841 498 T HA 0.512 4.872 4.350 0.016 0.000 0.285 498 T C 0.120 174.785 174.700 -0.057 0.000 0.991 498 T CA -0.495 61.586 62.100 -0.032 0.000 0.966 498 T CB 0.689 69.538 68.868 -0.031 0.000 0.962 498 T HN 0.306 nan 8.240 nan 0.000 0.438 499 I N 3.260 123.782 120.570 -0.079 0.000 2.416 499 I HA 0.182 4.361 4.170 0.016 0.000 0.288 499 I C 1.656 177.712 176.117 -0.101 0.000 1.051 499 I CA -0.071 61.174 61.300 -0.093 0.000 1.375 499 I CB 1.316 39.249 38.000 -0.111 0.000 1.407 499 I HN 0.814 nan 8.210 nan 0.000 0.516 500 T N 0.883 115.366 114.554 -0.119 0.000 3.010 500 T HA 0.354 4.714 4.350 0.016 0.000 0.257 500 T C 0.472 175.129 174.700 -0.071 0.000 1.020 500 T CA -0.182 61.857 62.100 -0.103 0.000 0.938 500 T CB 0.399 69.206 68.868 -0.101 0.000 1.049 500 T HN 0.692 nan 8.240 nan 0.000 0.522 501 G N 0.700 109.441 108.800 -0.098 0.000 2.733 501 G HA2 0.634 4.604 3.960 0.016 0.000 0.297 501 G HA3 0.634 4.604 3.960 0.016 0.000 0.297 501 G C -1.881 173.175 174.900 0.260 0.000 1.422 501 G CA -0.879 44.295 45.100 0.124 0.000 0.942 501 G HN 0.326 nan 8.290 nan 0.000 0.510 502 L N 0.580 122.033 121.223 0.383 0.000 2.370 502 L HA 0.914 5.264 4.340 0.016 0.000 0.266 502 L C 0.269 177.210 176.870 0.118 0.000 1.002 502 L CA -0.857 54.110 54.840 0.212 0.000 0.818 502 L CB 2.188 44.288 42.059 0.069 0.000 1.325 502 L HN 0.868 nan 8.230 nan 0.000 0.418 503 A N 1.586 124.274 122.820 -0.219 0.000 2.581 503 A HA 0.895 5.224 4.320 0.016 0.000 0.290 503 A C -1.937 175.249 177.584 -0.665 0.000 1.119 503 A CA -0.399 51.409 52.037 -0.382 0.000 0.670 503 A CB 1.496 20.197 19.000 -0.499 0.000 1.280 503 A HN 0.421 nan 8.150 nan 0.000 0.425 504 F N -1.044 118.792 119.950 -0.190 0.000 2.620 504 F HA 0.848 5.385 4.527 0.016 0.000 0.320 504 F C 0.494 176.187 175.800 -0.179 0.000 1.069 504 F CA 0.085 57.934 58.000 -0.252 0.000 0.953 504 F CB 2.523 41.243 39.000 -0.466 0.000 1.322 504 F HN 0.992 nan 8.300 nan 0.000 0.479 505 A N 0.702 123.587 122.820 0.108 0.000 2.587 505 A HA 0.992 5.321 4.320 0.016 0.000 0.293 505 A C -1.749 175.897 177.584 0.103 0.000 1.087 505 A CA -0.375 51.673 52.037 0.018 0.000 0.692 505 A CB 1.615 20.338 19.000 -0.461 0.000 1.291 505 A HN 1.345 nan 8.150 nan 0.000 0.407 506 A N 0.269 123.157 122.820 0.114 0.000 2.587 506 A HA 0.802 5.132 4.320 0.016 0.000 0.293 506 A C -0.930 176.659 177.584 0.008 0.000 1.087 506 A CA -0.327 51.750 52.037 0.066 0.000 0.692 506 A CB 1.378 20.437 19.000 0.098 0.000 1.291 506 A HN 0.938 nan 8.150 nan 0.000 0.407 507 E N 0.588 120.764 120.200 -0.039 0.000 2.212 507 E HA 0.550 4.910 4.350 0.016 0.000 0.268 507 E C 0.265 176.756 176.600 -0.181 0.000 0.902 507 E CA -0.645 55.593 56.400 -0.270 0.000 0.779 507 E CB 1.680 31.174 29.700 -0.343 0.000 1.172 507 E HN 0.974 nan 8.360 nan 0.000 0.409 508 G N 2.670 111.329 108.800 -0.236 0.000 2.483 508 G HA2 0.165 4.135 3.960 0.016 0.000 0.248 508 G HA3 0.165 4.135 3.960 0.016 0.000 0.248 508 G C -0.202 174.619 174.900 -0.131 0.000 1.248 508 G CA -0.357 44.640 45.100 -0.172 0.000 0.838 508 G HN 0.678 nan 8.290 nan 0.000 0.566 509 N N -1.200 117.438 118.700 -0.104 0.000 2.906 509 N HA 0.172 4.922 4.740 0.016 0.000 0.327 509 N C 1.191 176.654 175.510 -0.078 0.000 1.344 509 N CA -0.369 52.638 53.050 -0.071 0.000 0.823 509 N CB 0.600 39.065 38.487 -0.036 0.000 1.351 509 N HN 0.573 nan 8.380 nan 0.000 0.604 510 E N -1.444 118.723 120.200 -0.055 0.000 2.333 510 E HA -0.218 4.142 4.350 0.016 0.000 0.198 510 E C 0.805 177.362 176.600 -0.072 0.000 1.007 510 E CA 1.686 58.053 56.400 -0.056 0.000 0.845 510 E CB -0.627 29.052 29.700 -0.036 0.000 0.766 510 E HN 0.762 nan 8.360 nan 0.000 0.507 511 T N -2.521 111.981 114.554 -0.088 0.000 2.995 511 T HA 0.112 4.472 4.350 0.016 0.000 0.269 511 T C 1.748 176.339 174.700 -0.182 0.000 1.091 511 T CA 0.899 62.923 62.100 -0.126 0.000 1.128 511 T CB -0.353 68.427 68.868 -0.147 0.000 0.891 511 T HN 0.460 nan 8.240 nan 0.000 0.492 512 G N 1.036 109.731 108.800 -0.175 0.000 2.166 512 G HA2 -0.213 3.757 3.960 0.016 0.000 0.260 512 G HA3 -0.213 3.757 3.960 0.016 0.000 0.260 512 G C -0.093 174.653 174.900 -0.256 0.000 0.986 512 G CA 0.662 45.650 45.100 -0.185 0.000 0.683 512 G HN 0.688 nan 8.290 nan 0.000 0.527 513 L N -0.747 120.253 121.223 -0.371 0.000 2.333 513 L HA 0.905 5.255 4.340 0.016 0.000 0.263 513 L C 0.177 176.772 176.870 -0.459 0.000 1.014 513 L CA -0.696 53.839 54.840 -0.509 0.000 0.820 513 L CB 2.351 43.868 42.059 -0.903 0.000 1.352 513 L HN 0.406 nan 8.230 nan 0.000 0.421 514 A N 1.378 123.983 122.820 -0.358 0.000 2.486 514 A HA 0.714 5.044 4.320 0.016 0.000 0.300 514 A C -1.225 176.167 177.584 -0.319 0.000 1.048 514 A CA -0.394 51.419 52.037 -0.373 0.000 0.696 514 A CB 1.948 20.666 19.000 -0.471 0.000 1.278 514 A HN 0.737 nan 8.150 nan 0.000 0.405 515 E N 2.123 122.047 120.200 -0.460 0.000 2.448 515 E HA 0.501 4.861 4.350 0.016 0.000 0.288 515 E C -1.989 174.253 176.600 -0.597 0.000 0.936 515 E CA -0.217 55.951 56.400 -0.388 0.000 0.809 515 E CB 0.703 30.290 29.700 -0.189 0.000 1.408 515 E HN 0.465 nan 8.360 nan 0.000 0.393 516 F N 2.662 122.453 119.950 -0.265 0.000 2.450 516 F HA 0.461 4.998 4.527 0.017 0.000 0.332 516 F C -0.547 174.968 175.800 -0.474 0.000 1.093 516 F CA -0.478 57.414 58.000 -0.181 0.000 1.003 516 F CB 1.030 40.023 39.000 -0.011 0.000 1.151 516 F HN 0.326 nan 8.300 nan 0.000 0.474 517 Y N 3.291 123.701 120.300 0.184 0.000 2.328 517 Y HA 0.578 5.138 4.550 0.016 0.000 0.336 517 Y C -0.328 175.729 175.900 0.262 0.000 0.960 517 Y CA -0.816 57.353 58.100 0.115 0.000 1.134 517 Y CB 1.226 39.683 38.460 -0.004 0.000 1.166 517 Y HN 0.323 nan 8.280 nan 0.000 0.464 518 I N 2.532 123.242 120.570 0.233 0.000 2.330 518 I HA 0.381 4.561 4.170 0.016 0.000 0.289 518 I C 0.852 177.116 176.117 0.245 0.000 1.001 518 I CA -0.104 61.285 61.300 0.148 0.000 1.193 518 I CB 1.665 39.455 38.000 -0.349 0.000 1.345 518 I HN 0.959 nan 8.210 nan 0.000 0.461 519 G N 5.032 114.090 108.800 0.430 0.000 3.062 519 G HA2 0.124 4.093 3.960 0.016 0.000 0.228 519 G HA3 0.124 4.093 3.960 0.016 0.000 0.228 519 G C 0.171 175.246 174.900 0.292 0.000 1.094 519 G CA 0.207 45.489 45.100 0.304 0.000 0.782 519 G HN 0.498 nan 8.290 nan 0.000 0.541 520 Q N -0.276 119.687 119.800 0.271 0.000 2.545 520 Q HA 0.506 4.856 4.340 0.016 0.000 0.273 520 Q C -2.588 173.519 176.000 0.179 0.000 0.975 520 Q CA -0.653 55.124 55.803 -0.044 0.000 0.876 520 Q CB 2.260 30.886 28.738 -0.187 0.000 1.472 520 Q HN 0.219 nan 8.270 nan 0.000 0.389 521 L N 1.908 123.105 121.223 -0.044 0.000 2.565 521 L HA 0.940 5.290 4.340 0.016 0.000 0.261 521 L C -2.219 174.557 176.870 -0.156 0.000 0.932 521 L CA 0.191 55.111 54.840 0.134 0.000 0.878 521 L CB 1.988 44.246 42.059 0.331 0.000 1.333 521 L HN 0.759 nan 8.230 nan 0.000 0.409 522 A N 3.718 126.519 122.820 -0.031 0.000 2.594 522 A HA 0.856 5.186 4.320 0.016 0.000 0.295 522 A C -1.913 175.679 177.584 0.012 0.000 1.071 522 A CA -0.552 51.416 52.037 -0.115 0.000 0.685 522 A CB 2.085 20.996 19.000 -0.148 0.000 1.285 522 A HN 0.655 nan 8.150 nan 0.000 0.405 523 V N 1.331 121.256 119.914 0.019 0.000 2.407 523 V HA 0.853 4.983 4.120 0.016 0.000 0.291 523 V C 0.551 176.657 176.094 0.020 0.000 1.018 523 V CA 0.641 62.956 62.300 0.026 0.000 0.842 523 V CB 0.937 32.778 31.823 0.029 0.000 0.996 523 V HN 1.939 nan 8.190 nan 0.000 0.426 524 G N 3.264 112.072 108.800 0.014 0.000 2.315 524 G HA2 0.730 4.699 3.960 0.016 0.000 0.294 524 G HA3 0.730 4.699 3.960 0.016 0.000 0.294 524 G C -1.209 173.703 174.900 0.019 0.000 1.300 524 G CA 0.139 45.248 45.100 0.016 0.000 0.843 524 G HN 1.030 nan 8.290 nan 0.000 0.527 525 A N -0.821 122.011 122.820 0.020 0.000 2.347 525 A HA 0.804 5.133 4.320 0.016 0.000 0.301 525 A C -0.760 176.838 177.584 0.022 0.000 1.163 525 A CA -0.536 51.513 52.037 0.021 0.000 0.860 525 A CB 0.906 19.917 19.000 0.018 0.000 1.367 525 A HN 0.535 nan 8.150 nan 0.000 0.461 526 D N 1.577 121.990 120.400 0.021 0.000 2.424 526 D HA 0.416 5.066 4.640 0.016 0.000 0.244 526 D C 0.009 176.318 176.300 0.016 0.000 1.134 526 D CA 1.039 55.050 54.000 0.019 0.000 0.881 526 D CB 0.670 41.480 40.800 0.017 0.000 1.191 526 D HN 0.611 nan 8.370 nan 0.000 0.445 527 S N -0.817 114.892 115.700 0.014 0.000 2.546 527 S HA 0.626 5.105 4.470 0.016 0.000 0.272 527 S C -0.158 174.444 174.600 0.003 0.000 1.140 527 S CA -1.084 57.122 58.200 0.010 0.000 0.920 527 S CB 1.334 64.542 63.200 0.013 0.000 1.083 527 S HN 0.478 nan 8.310 nan 0.000 0.476 528 E N 2.112 122.311 120.200 -0.002 0.000 2.404 528 E HA 0.330 4.690 4.350 0.016 0.000 0.261 528 E C 0.346 176.934 176.600 -0.021 0.000 1.074 528 E CA -0.516 55.878 56.400 -0.010 0.000 0.917 528 E CB -0.032 nan 29.700 nan 0.000 0.965 528 E HN 0.903 nan 8.360 nan 0.000 0.433 529 K N 1.486 121.869 120.400 -0.029 0.000 2.414 529 K HA 0.344 4.674 4.320 0.016 0.000 0.272 529 K C -2.231 174.337 176.600 -0.054 0.000 0.993 529 K CA -1.040 55.218 56.287 -0.048 0.000 0.964 529 K CB 0.221 32.689 32.500 -0.053 0.000 0.925 529 K HN 0.275 nan 8.250 nan 0.000 0.487 530 P HA 0.048 nan 4.420 nan 0.000 0.272 530 P C -0.838 176.424 177.300 -0.064 0.000 1.230 530 P CA -0.482 62.573 63.100 -0.076 0.000 0.788 530 P CB 0.662 32.286 31.700 -0.127 0.000 0.949 531 A N 1.480 124.276 122.820 -0.041 0.000 2.425 531 A HA 0.472 4.802 4.320 0.016 0.000 0.242 531 A C 0.490 178.051 177.584 -0.039 0.000 1.077 531 A CA -0.040 51.979 52.037 -0.030 0.000 0.781 531 A CB -0.591 18.403 19.000 -0.010 0.000 1.020 531 A HN 0.636 nan 8.150 nan 0.000 0.494 532 A N 3.127 125.926 122.820 -0.035 0.000 2.546 532 A HA 0.479 4.809 4.320 0.016 0.000 0.243 532 A C -2.052 175.520 177.584 -0.020 0.000 1.063 532 A CA -0.809 51.205 52.037 -0.038 0.000 0.757 532 A CB -0.736 18.246 19.000 -0.030 0.000 0.991 532 A HN 0.641 nan 8.150 nan 0.000 0.503 533 P HA 0.005 nan 4.420 nan 0.000 0.269 533 P C -0.410 176.900 177.300 0.016 0.000 1.209 533 P CA -0.124 62.971 63.100 -0.008 0.000 0.776 533 P CB 0.262 31.880 31.700 -0.137 0.000 0.876 534 N N 1.695 120.432 118.700 0.061 0.000 2.482 534 N HA 0.230 4.980 4.740 0.016 0.000 0.242 534 N C -0.996 174.578 175.510 0.106 0.000 1.100 534 N CA -0.444 52.645 53.050 0.065 0.000 0.946 534 N CB 0.155 38.678 38.487 0.061 0.000 1.227 534 N HN 0.051 nan 8.380 nan 0.000 0.508 535 V N 3.177 123.144 119.914 0.087 0.000 2.435 535 V HA 0.355 4.485 4.120 0.016 0.000 0.290 535 V C -0.242 175.897 176.094 0.075 0.000 1.030 535 V CA -0.823 61.554 62.300 0.129 0.000 0.881 535 V CB 1.581 33.475 31.823 0.119 0.000 0.983 535 V HN 0.660 nan 8.190 nan 0.000 0.445 536 N N 1.823 120.563 118.700 0.067 0.000 2.319 536 N HA 0.642 5.391 4.740 0.016 0.000 0.305 536 N C -1.047 174.483 175.510 0.033 0.000 1.103 536 N CA -0.614 52.456 53.050 0.034 0.000 0.815 536 N CB 2.396 40.892 38.487 0.015 0.000 1.288 536 N HN 0.458 nan 8.380 nan 0.000 0.493 537 V N 2.107 122.038 119.914 0.028 0.000 2.465 537 V HA 0.462 4.592 4.120 0.016 0.000 0.279 537 V C 0.288 176.401 176.094 0.031 0.000 1.045 537 V CA -0.145 62.173 62.300 0.030 0.000 0.938 537 V CB 0.566 32.401 31.823 0.021 0.000 0.986 537 V HN 0.616 nan 8.190 nan 0.000 0.467 538 R N 2.746 123.274 120.500 0.047 0.000 2.836 538 R HA 0.530 4.880 4.340 0.016 0.000 0.269 538 R C -1.055 175.304 176.300 0.099 0.000 1.010 538 R CA -1.041 55.094 56.100 0.059 0.000 0.930 538 R CB 2.206 32.537 30.300 0.052 0.000 1.218 538 R HN 0.637 nan 8.270 nan 0.000 0.473 539 Q N 0.803 120.662 119.800 0.098 0.000 2.340 539 Q HA 0.121 4.471 4.340 0.016 0.000 0.249 539 Q C -1.317 174.814 176.000 0.219 0.000 0.957 539 Q CA 0.092 55.971 55.803 0.126 0.000 0.882 539 Q CB 0.738 29.520 28.738 0.073 0.000 1.235 539 Q HN 0.415 nan 8.270 nan 0.000 0.439 540 Y N 2.791 123.162 120.300 0.119 0.000 2.478 540 Y HA 0.178 4.738 4.550 0.017 0.000 0.329 540 Y C -0.028 175.927 175.900 0.091 0.000 0.967 540 Y CA -0.725 57.467 58.100 0.153 0.000 1.255 540 Y CB 0.525 39.125 38.460 0.233 0.000 1.103 540 Y HN 0.721 nan 8.280 nan 0.000 0.497 541 D N 5.906 126.139 120.400 -0.279 0.000 2.126 541 D HA -0.180 4.469 4.640 0.016 0.000 0.190 541 D C -0.617 175.471 176.300 -0.353 0.000 1.001 541 D CA 1.972 55.823 54.000 -0.248 0.000 0.841 541 D CB -1.227 39.471 40.800 -0.170 0.000 0.949 541 D HN 0.517 nan 8.370 nan 0.000 0.446 542 P HA -0.040 nan 4.420 nan 0.000 0.226 542 P C -0.235 176.927 177.300 -0.230 0.000 1.146 542 P CA 1.124 63.958 63.100 -0.443 0.000 0.773 542 P CB 0.166 31.535 31.700 -0.552 0.000 0.772 543 D N -2.068 118.245 120.400 -0.146 0.000 2.346 543 D HA 0.169 4.819 4.640 0.016 0.000 0.255 543 D C -2.031 174.346 176.300 0.129 0.000 1.276 543 D CA -2.270 51.794 54.000 0.107 0.000 0.941 543 D CB 0.735 41.730 40.800 0.325 0.000 1.199 543 D HN -0.197 nan 8.370 nan 0.000 0.537 544 P HA -0.107 nan 4.420 nan 0.000 0.217 544 P C 1.123 178.458 177.300 0.060 0.000 1.148 544 P CA 0.867 63.995 63.100 0.047 0.000 0.828 544 P CB 0.391 32.104 31.700 0.022 0.000 0.783 545 S N -1.478 114.261 115.700 0.066 0.000 2.561 545 S HA 0.127 4.607 4.470 0.016 0.000 0.225 545 S C 1.186 175.813 174.600 0.045 0.000 0.977 545 S CA 0.638 58.868 58.200 0.050 0.000 0.926 545 S CB -0.510 62.718 63.200 0.046 0.000 0.769 545 S HN 0.232 nan 8.310 nan 0.000 0.533 546 G N 0.821 109.677 108.800 0.093 0.000 2.597 546 G HA2 0.740 4.710 3.960 0.016 0.000 0.317 546 G HA3 0.740 4.710 3.960 0.016 0.000 0.317 546 G C -0.681 174.237 174.900 0.029 0.000 1.230 546 G CA -0.913 44.194 45.100 0.012 0.000 0.996 546 G HN 0.351 nan 8.290 nan 0.000 0.490 547 I N -2.884 117.629 120.570 -0.095 0.000 3.174 547 I HA 0.746 4.926 4.170 0.016 0.000 0.313 547 I C -0.860 175.268 176.117 0.018 0.000 1.155 547 I CA -1.323 59.983 61.300 0.011 0.000 0.977 547 I CB 2.494 40.485 38.000 -0.015 0.000 1.248 547 I HN 0.631 nan 8.210 nan 0.000 0.453 548 Q N 2.661 122.540 119.800 0.131 0.000 2.377 548 Q HA 0.657 5.007 4.340 0.016 0.000 0.271 548 Q C -1.898 174.149 176.000 0.079 0.000 1.077 548 Q CA -0.999 54.898 55.803 0.158 0.000 0.820 548 Q CB 2.667 31.614 28.738 0.348 0.000 1.347 548 Q HN 0.544 nan 8.270 nan 0.000 0.444 549 L N 2.251 123.512 121.223 0.063 0.000 2.295 549 L HA 0.527 4.877 4.340 0.016 0.000 0.285 549 L C -0.823 175.962 176.870 -0.142 0.000 1.035 549 L CA -0.682 54.199 54.840 0.067 0.000 0.806 549 L CB 1.875 44.077 42.059 0.239 0.000 1.214 549 L HN 0.619 nan 8.230 nan 0.000 0.426 550 V N 3.296 123.118 119.914 -0.155 0.000 2.531 550 V HA 0.521 4.651 4.120 0.016 0.000 0.301 550 V C -0.789 175.179 176.094 -0.211 0.000 1.034 550 V CA -0.699 61.351 62.300 -0.416 0.000 0.865 550 V CB 1.418 33.071 31.823 -0.283 0.000 0.995 550 V HN 0.839 nan 8.190 nan 0.000 0.424 551 W N 1.718 122.891 121.300 -0.212 0.000 2.736 551 W HA 0.797 5.464 4.660 0.013 0.000 0.355 551 W C -0.162 176.258 176.519 -0.166 0.000 1.102 551 W CA -1.028 56.197 57.345 -0.201 0.000 1.164 551 W CB 0.364 29.644 29.460 -0.300 0.000 1.422 551 W HN 0.333 nan 8.180 nan 0.000 0.572 552 E N 0.349 120.645 120.200 0.160 0.000 2.360 552 E HA 0.377 4.736 4.350 0.016 0.000 0.269 552 E C 0.506 177.211 176.600 0.174 0.000 1.022 552 E CA -0.148 56.311 56.400 0.098 0.000 0.887 552 E CB 0.031 29.780 29.700 0.082 0.000 0.990 552 E HN 0.639 nan 8.360 nan 0.000 0.426 553 K N 1.959 122.425 120.400 0.111 0.000 2.436 553 K HA 0.109 4.439 4.320 0.016 0.000 0.275 553 K C 0.244 176.936 176.600 0.154 0.000 0.999 553 K CA 0.256 56.632 56.287 0.148 0.000 0.980 553 K CB -0.017 32.541 32.500 0.098 0.000 0.919 553 K HN 0.577 nan 8.250 nan 0.000 0.484 554 Q N 0.556 120.469 119.800 0.187 0.000 2.394 554 Q HA 0.426 4.776 4.340 0.016 0.000 0.273 554 Q C -0.698 175.356 176.000 0.090 0.000 1.089 554 Q CA -0.943 54.935 55.803 0.125 0.000 0.812 554 Q CB 2.377 31.189 28.738 0.123 0.000 1.353 554 Q HN 0.688 nan 8.270 nan 0.000 0.438 555 S N 2.247 117.982 115.700 0.057 0.000 2.580 555 S HA 0.104 4.584 4.470 0.016 0.000 0.274 555 S C 0.056 174.670 174.600 0.024 0.000 1.329 555 S CA -0.363 57.863 58.200 0.044 0.000 1.036 555 S CB 0.193 63.415 63.200 0.036 0.000 0.919 555 S HN 0.712 nan 8.310 nan 0.000 0.515 556 N N 0.139 118.856 118.700 0.029 0.000 2.727 556 N HA -0.142 4.608 4.740 0.016 0.000 0.249 556 N C -1.139 174.359 175.510 -0.019 0.000 1.048 556 N CA 0.404 53.465 53.050 0.019 0.000 0.714 556 N CB -1.380 37.117 38.487 0.017 0.000 0.959 556 N HN 0.290 nan 8.380 nan 0.000 0.544 557 V N 0.382 120.273 119.914 -0.039 0.000 2.384 557 V HA 0.148 4.278 4.120 0.016 0.000 0.287 557 V C 1.416 177.451 176.094 -0.100 0.000 1.020 557 V CA -0.572 61.632 62.300 -0.159 0.000 0.850 557 V CB 1.809 33.451 31.823 -0.301 0.000 0.987 557 V HN 0.450 nan 8.190 nan 0.000 0.436 558 H N 4.868 123.815 119.070 -0.206 0.000 2.355 558 H HA 0.123 4.687 4.556 0.012 0.000 0.303 558 H C 0.729 176.049 175.328 -0.013 0.000 1.061 558 H CA 1.692 57.705 56.048 -0.059 0.000 1.368 558 H CB 0.331 30.089 29.762 -0.006 0.000 1.412 558 H HN 0.804 nan 8.280 nan 0.000 0.523 559 H N -3.427 115.461 119.070 -0.302 0.000 2.932 559 H HA 0.159 4.724 4.556 0.016 0.000 0.307 559 H C -1.831 173.174 175.328 -0.537 0.000 1.391 559 H CA -1.034 54.839 56.048 -0.291 0.000 1.130 559 H CB 0.229 29.906 29.762 -0.143 0.000 1.836 559 H HN 0.150 nan 8.280 nan 0.000 0.522 560 Y N 0.205 120.386 120.300 -0.198 0.000 2.429 560 Y HA 0.583 5.143 4.550 0.016 0.000 0.342 560 Y C 0.343 176.094 175.900 -0.249 0.000 1.004 560 Y CA -0.802 57.066 58.100 -0.388 0.000 1.075 560 Y CB 2.106 40.199 38.460 -0.613 0.000 1.214 560 Y HN 0.319 nan 8.280 nan 0.000 0.455 561 R N 1.676 122.068 120.500 -0.180 0.000 2.494 561 R HA 0.711 5.060 4.340 0.016 0.000 0.305 561 R C -1.635 174.553 176.300 -0.186 0.000 0.959 561 R CA -1.003 54.969 56.100 -0.214 0.000 0.864 561 R CB 2.107 32.274 30.300 -0.222 0.000 1.159 561 R HN 0.386 nan 8.270 nan 0.000 0.446 562 V N 4.226 123.980 119.914 -0.267 0.000 2.384 562 V HA 0.353 4.482 4.120 0.016 0.000 0.287 562 V C -0.959 174.976 176.094 -0.264 0.000 1.020 562 V CA -0.742 61.466 62.300 -0.153 0.000 0.850 562 V CB 0.878 32.657 31.823 -0.074 0.000 0.987 562 V HN 0.611 nan 8.190 nan 0.000 0.436 563 Y N 3.146 123.425 120.300 -0.034 0.000 2.420 563 Y HA 0.586 5.145 4.550 0.015 0.000 0.334 563 Y C 0.271 176.198 175.900 0.044 0.000 1.094 563 Y CA -0.574 57.517 58.100 -0.015 0.000 1.126 563 Y CB 1.907 40.352 38.460 -0.025 0.000 1.217 563 Y HN 0.472 nan 8.280 nan 0.000 0.462 564 K N 2.216 122.724 120.400 0.179 0.000 2.270 564 K HA 0.328 4.658 4.320 0.016 0.000 0.255 564 K C -1.023 175.664 176.600 0.144 0.000 0.936 564 K CA -0.628 55.741 56.287 0.137 0.000 0.809 564 K CB 1.035 33.573 32.500 0.064 0.000 1.131 564 K HN 0.685 nan 8.250 nan 0.000 0.427 565 E N 2.037 122.323 120.200 0.144 0.000 2.344 565 E HA 0.040 4.399 4.350 0.016 0.000 0.270 565 E C -0.177 176.467 176.600 0.073 0.000 1.021 565 E CA 0.069 56.530 56.400 0.103 0.000 0.887 565 E CB 1.128 30.897 29.700 0.115 0.000 0.997 565 E HN 0.666 nan 8.360 nan 0.000 0.429 566 T N -1.049 113.544 114.554 0.065 0.000 2.888 566 T HA 0.481 4.841 4.350 0.016 0.000 0.288 566 T C 1.065 175.803 174.700 0.064 0.000 1.063 566 T CA -0.272 61.870 62.100 0.069 0.000 1.010 566 T CB 1.431 70.357 68.868 0.097 0.000 1.214 566 T HN 0.344 nan 8.240 nan 0.000 0.533 567 K N -0.509 119.933 120.400 0.071 0.000 2.152 567 K HA -0.155 4.175 4.320 0.016 0.000 0.206 567 K C 1.982 178.640 176.600 0.096 0.000 1.048 567 K CA 2.158 58.485 56.287 0.066 0.000 0.933 567 K CB -1.791 30.744 32.500 0.060 0.000 0.721 567 K HN 0.933 nan 8.250 nan 0.000 0.447 568 H N -0.385 118.691 119.070 0.010 0.000 2.559 568 H HA 0.199 4.765 4.556 0.017 0.000 0.273 568 H C 0.877 176.207 175.328 0.004 0.000 1.000 568 H CA 0.641 56.695 56.048 0.009 0.000 1.195 568 H CB -0.138 29.633 29.762 0.015 0.000 1.368 568 H HN 0.656 nan 8.280 nan 0.000 0.592 569 G N 0.921 109.689 108.800 -0.053 0.000 2.498 569 G HA2 -0.202 3.767 3.960 0.016 0.000 0.651 569 G HA3 -0.202 3.767 3.960 0.016 0.000 0.651 569 G C -0.887 173.989 174.900 -0.040 0.000 1.284 569 G CA -0.335 44.699 45.100 -0.110 0.000 0.950 569 G HN 0.398 nan 8.290 nan 0.000 0.511 570 K N -0.110 120.259 120.400 -0.051 0.000 2.149 570 K HA 0.612 4.942 4.320 0.016 0.000 0.245 570 K C -0.161 176.510 176.600 0.120 0.000 1.024 570 K CA -0.042 56.266 56.287 0.035 0.000 0.899 570 K CB 1.424 33.911 32.500 -0.021 0.000 1.038 570 K HN 0.705 nan 8.250 nan 0.000 0.496 571 E N 0.847 121.156 120.200 0.182 0.000 2.275 571 E HA 0.192 4.552 4.350 0.016 0.000 0.270 571 E C -1.676 174.953 176.600 0.048 0.000 0.882 571 E CA -0.971 55.509 56.400 0.132 0.000 0.758 571 E CB 1.509 31.260 29.700 0.084 0.000 1.195 571 E HN 0.477 nan 8.360 nan 0.000 0.419 572 L N 6.477 127.615 121.223 -0.142 0.000 2.433 572 L HA 0.248 4.597 4.340 0.016 0.000 0.275 572 L C 0.305 176.973 176.870 -0.338 0.000 1.128 572 L CA 0.664 55.160 54.840 -0.574 0.000 0.875 572 L CB 0.462 42.072 42.059 -0.749 0.000 1.171 572 L HN 0.726 nan 8.230 nan 0.000 0.463 573 I N 1.768 122.159 120.570 -0.299 0.000 4.082 573 I HA 0.665 4.845 4.170 0.016 0.000 0.337 573 I C 0.576 176.599 176.117 -0.157 0.000 1.352 573 I CA 0.106 61.308 61.300 -0.162 0.000 1.097 573 I CB 0.205 38.156 38.000 -0.081 0.000 1.048 573 I HN 0.617 nan 8.210 nan 0.000 0.393 574 G N 0.850 109.504 108.800 -0.243 0.000 2.579 574 G HA2 0.516 4.485 3.960 0.016 0.000 0.292 574 G HA3 0.516 4.485 3.960 0.016 0.000 0.292 574 G C -1.128 173.633 174.900 -0.232 0.000 1.484 574 G CA -0.026 44.970 45.100 -0.173 0.000 0.813 574 G HN 0.183 nan 8.290 nan 0.000 0.515 575 T N -2.153 112.313 114.554 -0.147 0.000 2.906 575 T HA 0.831 5.191 4.350 0.016 0.000 0.295 575 T C -0.528 174.228 174.700 0.094 0.000 1.061 575 T CA -0.735 61.321 62.100 -0.074 0.000 1.000 575 T CB 2.025 70.783 68.868 -0.184 0.000 1.103 575 T HN 1.550 nan 8.240 nan 0.000 0.486 576 S N -0.130 115.694 115.700 0.207 0.000 2.546 576 S HA 0.645 5.124 4.470 0.016 0.000 0.272 576 S C -0.140 174.664 174.600 0.341 0.000 1.140 576 S CA -0.275 58.100 58.200 0.291 0.000 0.920 576 S CB 1.241 64.707 63.200 0.444 0.000 1.083 576 S HN 1.347 nan 8.310 nan 0.000 0.476 577 A N 3.252 126.212 122.820 0.233 0.000 2.574 577 A HA 0.689 5.019 4.320 0.016 0.000 0.283 577 A C 0.817 178.500 177.584 0.165 0.000 1.270 577 A CA 0.280 52.430 52.037 0.189 0.000 0.945 577 A CB -0.561 18.471 19.000 0.053 0.000 1.127 577 A HN 1.000 nan 8.150 nan 0.000 0.522 578 G N -0.314 108.566 108.800 0.134 0.000 3.135 578 G HA2 0.435 4.405 3.960 0.016 0.000 0.159 578 G HA3 0.435 4.405 3.960 0.016 0.000 0.159 578 G C 0.070 174.732 174.900 -0.396 0.000 1.244 578 G CA 0.513 45.459 45.100 -0.258 0.000 0.965 578 G HN 0.194 nan 8.290 nan 0.000 0.599 579 D N -1.345 118.596 120.400 -0.766 0.000 2.431 579 D HA 0.140 4.789 4.640 0.016 0.000 0.213 579 D C 0.735 175.940 176.300 -1.825 0.000 1.130 579 D CA -0.230 53.119 54.000 -1.086 0.000 0.834 579 D CB 0.365 40.753 40.800 -0.687 0.000 0.985 579 D HN 0.639 nan 8.370 nan 0.000 0.504 580 R N -1.164 118.472 120.500 -1.441 0.000 2.741 580 R HA 0.681 5.031 4.340 0.016 0.000 0.274 580 R C -1.869 174.140 176.300 -0.484 0.000 1.029 580 R CA -1.047 54.281 56.100 -1.287 0.000 0.880 580 R CB 0.912 30.718 30.300 -0.823 0.000 1.264 580 R HN 0.025 nan 8.270 nan 0.000 0.465 581 I N 0.967 121.476 120.570 -0.101 0.000 2.722 581 I HA 0.345 4.525 4.170 0.016 0.000 0.292 581 I C -1.677 174.620 176.117 0.301 0.000 1.267 581 I CA -1.050 60.393 61.300 0.237 0.000 1.036 581 I CB 2.384 40.548 38.000 0.274 0.000 1.281 581 I HN 0.776 nan 8.210 nan 0.000 0.423 582 Y N 7.668 128.058 120.300 0.150 0.000 2.319 582 Y HA 0.670 5.230 4.550 0.016 0.000 0.328 582 Y C -1.512 174.365 175.900 -0.038 0.000 1.133 582 Y CA -0.125 57.923 58.100 -0.087 0.000 1.265 582 Y CB 0.940 39.059 38.460 -0.570 0.000 1.218 582 Y HN 0.440 nan 8.280 nan 0.000 0.508 583 L N 6.828 127.580 121.223 -0.784 0.000 2.409 583 L HA 0.359 4.709 4.340 0.016 0.000 0.272 583 L C -0.708 175.661 176.870 -0.836 0.000 0.980 583 L CA -0.954 53.529 54.840 -0.594 0.000 0.826 583 L CB 1.993 43.908 42.059 -0.239 0.000 1.268 583 L HN 0.707 nan 8.230 nan 0.000 0.407 584 E N 1.576 121.443 120.200 -0.555 0.000 2.319 584 E HA 0.545 4.904 4.350 0.016 0.000 0.268 584 E C 0.843 177.368 176.600 -0.125 0.000 1.050 584 E CA -0.068 56.156 56.400 -0.294 0.000 0.878 584 E CB 1.459 31.176 29.700 0.028 0.000 1.066 584 E HN 0.730 nan 8.360 nan 0.000 0.406 585 G N 1.646 110.410 108.800 -0.060 0.000 2.234 585 G HA2 -0.336 3.634 3.960 0.016 0.000 0.260 585 G HA3 -0.336 3.634 3.960 0.016 0.000 0.260 585 G C 0.786 175.672 174.900 -0.024 0.000 0.987 585 G CA 0.489 45.578 45.100 -0.019 0.000 0.625 585 G HN 0.496 nan 8.290 nan 0.000 0.532 586 L N 0.319 121.512 121.223 -0.049 0.000 2.141 586 L HA -0.024 4.325 4.340 0.016 0.000 0.209 586 L C 2.929 179.788 176.870 -0.018 0.000 1.094 586 L CA 1.213 56.033 54.840 -0.034 0.000 0.763 586 L CB -0.696 41.334 42.059 -0.049 0.000 0.908 586 L HN 0.254 nan 8.230 nan 0.000 0.437 587 V N -0.064 119.840 119.914 -0.015 0.000 2.255 587 V HA -0.333 3.797 4.120 0.016 0.000 0.247 587 V C 2.702 178.798 176.094 0.003 0.000 1.051 587 V CA 2.219 64.519 62.300 -0.001 0.000 1.018 587 V CB -0.593 31.236 31.823 0.010 0.000 0.641 587 V HN 0.473 nan 8.190 nan 0.000 0.445 588 E N -0.360 119.844 120.200 0.005 0.000 2.049 588 E HA -0.325 4.034 4.350 0.016 0.000 0.198 588 E C 2.312 178.916 176.600 0.007 0.000 1.007 588 E CA 1.927 58.332 56.400 0.008 0.000 0.809 588 E CB -0.487 29.220 29.700 0.012 0.000 0.749 588 E HN 0.798 nan 8.360 nan 0.000 0.450 589 E N -0.114 120.089 120.200 0.005 0.000 2.160 589 E HA -0.206 4.153 4.350 0.016 0.000 0.195 589 E C 2.131 178.734 176.600 0.006 0.000 0.991 589 E CA 1.528 57.932 56.400 0.006 0.000 0.810 589 E CB -0.305 29.398 29.700 0.005 0.000 0.742 589 E HN 0.537 nan 8.360 nan 0.000 0.466 590 S N -0.231 115.471 115.700 0.003 0.000 2.481 590 S HA -0.082 4.398 4.470 0.016 0.000 0.231 590 S C 1.593 176.196 174.600 0.005 0.000 0.996 590 S CA 0.698 58.900 58.200 0.003 0.000 0.942 590 S CB -0.021 63.180 63.200 0.001 0.000 0.768 590 S HN 0.186 nan 8.310 nan 0.000 0.520 591 K N 0.578 120.982 120.400 0.006 0.000 2.076 591 K HA 0.022 4.352 4.320 0.016 0.000 0.204 591 K C 3.019 179.623 176.600 0.007 0.000 1.051 591 K CA 1.294 57.585 56.287 0.007 0.000 0.949 591 K CB -0.526 31.979 32.500 0.007 0.000 0.726 591 K HN 0.603 nan 8.250 nan 0.000 0.443 592 Q N 1.818 121.623 119.800 0.008 0.000 2.062 592 Q HA -0.036 4.314 4.340 0.016 0.000 0.196 592 Q C 0.818 176.824 176.000 0.009 0.000 0.967 592 Q CA 1.425 57.234 55.803 0.009 0.000 0.832 592 Q CB -0.619 28.125 28.738 0.010 0.000 0.899 592 Q HN 0.529 nan 8.270 nan 0.000 0.442 593 N N -0.792 117.914 118.700 0.009 0.000 2.853 593 N HA 0.249 4.999 4.740 0.016 0.000 0.258 593 N C -1.942 173.574 175.510 0.009 0.000 1.444 593 N CA -0.685 52.370 53.050 0.010 0.000 0.837 593 N CB 0.759 39.254 38.487 0.013 0.000 1.489 593 N HN 0.149 nan 8.380 nan 0.000 0.529 594 D N 0.377 120.783 120.400 0.009 0.000 2.304 594 D HA 0.307 4.956 4.640 0.016 0.000 0.250 594 D C -0.351 175.954 176.300 0.009 0.000 1.107 594 D CA -0.042 53.962 54.000 0.007 0.000 0.885 594 D CB 2.049 42.853 40.800 0.006 0.000 1.192 594 D HN 0.173 nan 8.370 nan 0.000 0.436 595 V N 2.966 122.882 119.914 0.003 0.000 2.384 595 V HA 0.313 4.443 4.120 0.016 0.000 0.287 595 V C 0.414 176.504 176.094 -0.007 0.000 1.020 595 V CA -0.620 61.683 62.300 0.004 0.000 0.850 595 V CB 1.546 33.368 31.823 -0.001 0.000 0.987 595 V HN 0.262 nan 8.190 nan 0.000 0.436 596 R N 5.044 125.544 120.500 0.001 0.000 2.437 596 R HA 0.742 5.092 4.340 0.016 0.000 0.310 596 R C -0.734 175.544 176.300 -0.038 0.000 0.955 596 R CA -0.496 55.580 56.100 -0.040 0.000 0.851 596 R CB 1.562 31.853 30.300 -0.015 0.000 1.161 596 R HN 0.709 nan 8.270 nan 0.000 0.446 597 L N 2.203 123.350 121.223 -0.127 0.000 2.330 597 L HA 0.670 5.020 4.340 0.016 0.000 0.271 597 L C -0.463 176.236 176.870 -0.286 0.000 1.013 597 L CA -1.071 53.726 54.840 -0.071 0.000 0.816 597 L CB 1.897 43.936 42.059 -0.033 0.000 1.287 597 L HN 0.699 nan 8.230 nan 0.000 0.435 598 H N 1.589 120.683 119.070 0.039 0.000 2.744 598 H HA 0.528 5.093 4.556 0.016 0.000 0.339 598 H C -1.173 174.180 175.328 0.042 0.000 1.004 598 H CA -0.342 55.720 56.048 0.023 0.000 1.257 598 H CB 1.649 31.411 29.762 0.001 0.000 1.552 598 H HN 0.278 nan 8.280 nan 0.000 0.522 599 I N 2.416 123.022 120.570 0.060 0.000 2.362 599 I HA 0.226 4.406 4.170 0.016 0.000 0.289 599 I C 0.089 176.177 176.117 -0.048 0.000 0.994 599 I CA -0.238 61.049 61.300 -0.021 0.000 1.158 599 I CB 1.428 39.355 38.000 -0.121 0.000 1.315 599 I HN 0.519 nan 8.210 nan 0.000 0.451 600 E N 3.945 124.107 120.200 -0.063 0.000 2.191 600 E HA 0.774 5.133 4.350 0.016 0.000 0.274 600 E C -0.815 175.623 176.600 -0.270 0.000 0.948 600 E CA -1.056 55.265 56.400 -0.132 0.000 0.802 600 E CB 2.051 31.685 29.700 -0.110 0.000 1.137 600 E HN 0.680 nan 8.360 nan 0.000 0.397 601 A N 3.172 125.783 122.820 -0.350 0.000 2.292 601 A HA 0.491 4.821 4.320 0.016 0.000 0.319 601 A C -1.012 176.224 177.584 -0.579 0.000 1.206 601 A CA -0.518 51.114 52.037 -0.676 0.000 0.835 601 A CB 0.295 18.957 19.000 -0.563 0.000 1.164 601 A HN 0.424 nan 8.150 nan 0.000 0.505 602 L N 2.530 123.300 121.223 -0.755 0.000 2.296 602 L HA 0.404 4.754 4.340 0.016 0.000 0.286 602 L C 1.064 177.632 176.870 -0.503 0.000 1.023 602 L CA 0.272 54.716 54.840 -0.660 0.000 0.812 602 L CB 1.716 43.163 42.059 -1.019 0.000 1.223 602 L HN 0.876 nan 8.230 nan 0.000 0.421 603 S N 1.845 117.365 115.700 -0.300 0.000 2.626 603 S HA 0.153 4.633 4.470 0.016 0.000 0.257 603 S C 0.957 175.524 174.600 -0.054 0.000 1.288 603 S CA -0.423 57.687 58.200 -0.151 0.000 0.980 603 S CB 0.547 63.702 63.200 -0.074 0.000 0.975 603 S HN 0.613 nan 8.310 nan 0.000 0.577 604 E N 0.676 120.900 120.200 0.040 0.000 2.265 604 E HA -0.078 4.282 4.350 0.016 0.000 0.196 604 E C 1.690 178.392 176.600 0.171 0.000 0.996 604 E CA 1.615 58.092 56.400 0.128 0.000 0.832 604 E CB -0.746 29.017 29.700 0.104 0.000 0.756 604 E HN 0.913 nan 8.360 nan 0.000 0.491 605 T N -2.709 111.929 114.554 0.140 0.000 3.206 605 T HA 0.118 4.478 4.350 0.016 0.000 0.253 605 T C 0.382 175.260 174.700 0.296 0.000 1.042 605 T CA -0.528 61.671 62.100 0.165 0.000 0.931 605 T CB -0.468 68.448 68.868 0.080 0.000 1.029 605 T HN -0.041 nan 8.240 nan 0.000 0.564 606 F N 0.265 120.189 119.950 -0.043 0.000 3.074 606 F HA -0.180 4.354 4.527 0.012 0.000 0.289 606 F C 0.126 175.886 175.800 -0.066 0.000 0.863 606 F CA -0.374 57.586 58.000 -0.067 0.000 1.121 606 F CB -2.351 36.626 39.000 -0.037 0.000 1.169 606 F HN 0.171 nan 8.300 nan 0.000 0.570 607 V N 2.662 122.592 119.914 0.028 0.000 2.408 607 V HA 0.283 4.413 4.120 0.016 0.000 0.267 607 V C -1.452 174.575 176.094 -0.112 0.000 1.047 607 V CA -1.345 60.940 62.300 -0.025 0.000 0.937 607 V CB 0.923 32.736 31.823 -0.016 0.000 0.999 607 V HN -0.062 nan 8.190 nan 0.000 0.472 608 P HA 0.217 nan 4.420 nan 0.000 0.278 608 P C -0.096 177.119 177.300 -0.142 0.000 1.238 608 P CA -0.203 62.793 63.100 -0.173 0.000 0.794 608 P CB 1.198 32.805 31.700 -0.155 0.000 0.955 609 S N 1.656 117.257 115.700 -0.165 0.000 2.600 609 S HA 0.128 4.608 4.470 0.016 0.000 0.265 609 S C 0.132 174.671 174.600 -0.102 0.000 1.325 609 S CA -0.555 57.571 58.200 -0.123 0.000 1.002 609 S CB -0.142 62.980 63.200 -0.131 0.000 0.921 609 S HN 0.357 nan 8.310 nan 0.000 0.554 610 D N 1.325 121.680 120.400 -0.075 0.000 2.478 610 D HA 0.316 4.966 4.640 0.016 0.000 0.234 610 D C 0.452 176.719 176.300 -0.056 0.000 1.154 610 D CA 0.646 54.609 54.000 -0.061 0.000 0.874 610 D CB 0.333 41.108 40.800 -0.042 0.000 1.198 610 D HN 0.843 nan 8.370 nan 0.000 0.455 611 A N 2.205 125.002 122.820 -0.038 0.000 2.388 611 A HA 0.263 4.593 4.320 0.016 0.000 0.257 611 A C 0.525 178.116 177.584 0.012 0.000 1.095 611 A CA -0.350 51.686 52.037 -0.002 0.000 0.791 611 A CB 0.419 19.452 19.000 0.055 0.000 1.029 611 A HN 0.407 nan 8.150 nan 0.000 0.489 612 R N 2.488 122.981 120.500 -0.011 0.000 2.267 612 R HA 0.297 4.647 4.340 0.016 0.000 0.319 612 R C -0.147 176.117 176.300 -0.059 0.000 1.067 612 R CA -0.141 55.943 56.100 -0.027 0.000 0.936 612 R CB 0.323 30.602 30.300 -0.035 0.000 1.006 612 R HN 0.742 nan 8.270 nan 0.000 0.452 613 M N 6.614 126.158 119.600 -0.094 0.000 2.188 613 M HA 0.350 4.839 4.480 0.016 0.000 0.357 613 M C -1.205 174.984 176.300 -0.186 0.000 1.204 613 M CA -0.327 54.819 55.300 -0.257 0.000 1.095 613 M CB 0.687 33.155 32.600 -0.220 0.000 1.604 613 M HN 0.631 nan 8.290 nan 0.000 0.464 614 I N 3.779 124.218 120.570 -0.218 0.000 2.498 614 I HA 0.264 4.444 4.170 0.016 0.000 0.290 614 I C -1.030 175.021 176.117 -0.109 0.000 1.032 614 I CA -0.675 60.556 61.300 -0.116 0.000 1.073 614 I CB 2.353 40.311 38.000 -0.069 0.000 1.251 614 I HN 0.612 nan 8.210 nan 0.000 0.426 615 D N 6.273 126.633 120.400 -0.068 0.000 2.168 615 D HA 0.561 5.211 4.640 0.016 0.000 0.246 615 D C -0.657 175.626 176.300 -0.029 0.000 1.050 615 D CA -0.060 53.911 54.000 -0.048 0.000 0.857 615 D CB 1.956 42.734 40.800 -0.036 0.000 1.169 615 D HN 0.258 nan 8.370 nan 0.000 0.453 616 I N 3.158 123.715 120.570 -0.022 0.000 2.411 616 I HA 0.271 4.451 4.170 0.016 0.000 0.284 616 I C 0.137 176.250 176.117 -0.008 0.000 1.012 616 I CA -0.743 60.550 61.300 -0.012 0.000 1.119 616 I CB 0.833 38.826 38.000 -0.012 0.000 1.261 616 I HN 0.049 nan 8.210 nan 0.000 0.448 617 K N 0.000 120.397 120.400 -0.005 0.000 2.780 617 K HA 0.000 4.330 4.320 0.016 0.000 0.191 617 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 617 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 617 K HN 0.000 nan 8.250 nan 0.000 0.543