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 3kdn_1_D DATA FIRST_RESID 8 DATA SEQUENCE IYDYYVDKGY EPSKKRDIIA VFRVTPAEGY TIEQAAGAVA AESSTGTWTT DATA SEQUENCE LYPWYEQERW ADLSAKAYDF HDMGDGSWIV RIAYPFHAFE EANLPGLLAS DATA SEQUENCE IAGNIFGMKR VKGLRLEDLY FPEKLIREFD GPAFGIEGVR KMLEIKDRPI DATA SEQUENCE YGVVPKPKVG YSPEEFEKLA YDLLSNGADY MXDDENLTSP WYNRFEERAE DATA SEQUENCE IMAKIIDKVE NETGEKKTWF ANITADLLEM EQRLEVLADL GLKHAMVDVV DATA SEQUENCE ITGWGALRYI RDLAADYGLA IHGHRAMHAA FTRNPYHGIS MFVLAKLYRL DATA SEQUENCE IGIDQLHVGT AGAGKLEGER DITIQNARIL RESHYKPDEN DVFHLEQKFY DATA SEQUENCE SIKAAFPTSS GGLHPGNIQP VIEALGTDIV LQLGGGTLGH PDGPAAGARA DATA SEQUENCE VRQAIDAIMQ GIPLDEYAKT HKELARALEK WGHVTPV 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.129 176.117 0.020 0.000 1.063 8 I CA 0.000 61.251 61.300 -0.081 0.000 1.566 8 I CB 0.000 37.927 38.000 -0.122 0.000 1.214 9 Y N 1.872 122.302 120.300 0.216 0.000 2.444 9 Y HA 0.404 4.954 4.550 0.001 0.000 0.249 9 Y C 2.482 178.581 175.900 0.330 0.000 1.134 9 Y CA 0.583 58.852 58.100 0.282 0.000 1.261 9 Y CB -0.601 37.947 38.460 0.147 0.000 1.143 9 Y HN 0.715 nan 8.280 nan 0.000 0.523 10 D N -0.675 119.939 120.400 0.358 0.000 2.309 10 D HA -0.259 4.382 4.640 0.001 0.000 0.212 10 D C 1.720 178.156 176.300 0.226 0.000 0.968 10 D CA 1.025 55.172 54.000 0.245 0.000 0.882 10 D CB -0.910 39.980 40.800 0.151 0.000 0.918 10 D HN 0.539 nan 8.370 nan 0.000 0.503 11 Y N -0.626 119.760 120.300 0.142 0.000 2.403 11 Y HA -0.086 4.464 4.550 0.001 0.000 0.291 11 Y C 1.276 177.075 175.900 -0.169 0.000 1.143 11 Y CA 1.331 59.407 58.100 -0.040 0.000 1.257 11 Y CB -0.079 38.318 38.460 -0.105 0.000 0.984 11 Y HN 0.353 nan 8.280 nan 0.000 0.550 12 Y N -0.903 119.486 120.300 0.149 0.000 2.466 12 Y HA 0.234 4.784 4.550 0.001 0.000 0.272 12 Y C 0.082 175.968 175.900 -0.023 0.000 1.169 12 Y CA -0.325 57.792 58.100 0.029 0.000 1.285 12 Y CB 0.259 38.773 38.460 0.089 0.000 1.078 12 Y HN -0.234 nan 8.280 nan 0.000 0.523 13 V N 1.068 121.047 119.914 0.108 0.000 2.398 13 V HA 0.264 4.385 4.120 0.001 0.000 0.286 13 V C -0.770 175.342 176.094 0.029 0.000 1.026 13 V CA -0.598 61.772 62.300 0.117 0.000 0.868 13 V CB 1.601 33.501 31.823 0.128 0.000 0.982 13 V HN 0.041 nan 8.190 nan 0.000 0.443 14 D N 3.478 123.928 120.400 0.084 0.000 2.381 14 D HA 0.263 4.903 4.640 0.001 0.000 0.245 14 D C 0.744 177.156 176.300 0.187 0.000 1.297 14 D CA -0.463 53.578 54.000 0.068 0.000 0.931 14 D CB 1.159 41.956 40.800 -0.005 0.000 1.334 14 D HN 0.425 nan 8.370 nan 0.000 0.535 15 K N 0.653 121.139 120.400 0.143 0.000 2.442 15 K HA 0.031 4.351 4.320 0.001 0.000 0.198 15 K C 1.651 178.358 176.600 0.178 0.000 1.042 15 K CA 0.821 57.217 56.287 0.182 0.000 0.958 15 K CB 0.394 32.927 32.500 0.055 0.000 0.766 15 K HN 0.343 nan 8.250 nan 0.000 0.474 16 G N 0.078 108.959 108.800 0.136 0.000 2.777 16 G HA2 -0.145 3.815 3.960 0.001 0.000 0.211 16 G HA3 -0.145 3.815 3.960 0.001 0.000 0.211 16 G C 0.041 175.008 174.900 0.112 0.000 1.149 16 G CA -0.262 44.899 45.100 0.101 0.000 0.785 16 G HN 0.199 nan 8.290 nan 0.000 0.536 17 Y N 1.848 122.172 120.300 0.040 0.000 2.425 17 Y HA 0.409 4.959 4.550 0.001 0.000 0.331 17 Y C 0.240 176.091 175.900 -0.082 0.000 1.157 17 Y CA -0.054 58.028 58.100 -0.029 0.000 1.372 17 Y CB 0.467 38.897 38.460 -0.051 0.000 1.253 17 Y HN 0.118 nan 8.280 nan 0.000 0.536 18 E N 7.144 126.848 120.200 -0.827 0.000 2.145 18 E HA 0.458 4.808 4.350 0.001 0.000 0.270 18 E C -2.999 173.015 176.600 -0.976 0.000 0.906 18 E CA -2.477 53.523 56.400 -0.667 0.000 0.761 18 E CB 0.516 30.000 29.700 -0.361 0.000 1.116 18 E HN 0.534 nan 8.360 nan 0.000 0.408 19 P HA 0.204 nan 4.420 nan 0.000 0.271 19 P C -0.163 176.998 177.300 -0.232 0.000 1.216 19 P CA -0.273 62.576 63.100 -0.419 0.000 0.776 19 P CB 1.363 32.847 31.700 -0.361 0.000 0.881 20 S N 1.548 117.205 115.700 -0.072 0.000 2.474 20 S HA 0.358 4.828 4.470 0.001 0.000 0.276 20 S C 1.525 176.175 174.600 0.082 0.000 1.227 20 S CA -0.172 58.030 58.200 0.003 0.000 1.050 20 S CB -0.094 63.142 63.200 0.059 0.000 0.939 20 S HN 0.440 nan 8.310 nan 0.000 0.490 21 K N 4.541 124.977 120.400 0.062 0.000 2.209 21 K HA -0.024 4.296 4.320 0.001 0.000 0.204 21 K C 1.553 178.317 176.600 0.274 0.000 1.048 21 K CA 1.341 57.707 56.287 0.131 0.000 0.940 21 K CB -0.463 32.088 32.500 0.085 0.000 0.729 21 K HN 0.660 nan 8.250 nan 0.000 0.451 22 K N -0.648 119.874 120.400 0.204 0.000 2.334 22 K HA 0.160 4.481 4.320 0.001 0.000 0.195 22 K C 1.819 178.584 176.600 0.275 0.000 1.045 22 K CA 0.597 57.004 56.287 0.201 0.000 1.004 22 K CB 0.703 33.285 32.500 0.136 0.000 0.837 22 K HN 0.474 nan 8.250 nan 0.000 0.510 23 R N 0.092 120.775 120.500 0.306 0.000 2.369 23 R HA 0.150 4.491 4.340 0.001 0.000 0.210 23 R C -0.344 176.202 176.300 0.409 0.000 0.881 23 R CA -0.076 56.268 56.100 0.406 0.000 1.031 23 R CB 0.719 31.128 30.300 0.183 0.000 1.184 23 R HN -0.028 nan 8.270 nan 0.000 0.581 24 D N 1.038 121.654 120.400 0.360 0.000 2.193 24 D HA 0.296 4.937 4.640 0.001 0.000 0.244 24 D C -0.329 176.252 176.300 0.468 0.000 1.064 24 D CA -0.339 53.882 54.000 0.368 0.000 0.845 24 D CB 1.768 42.741 40.800 0.289 0.000 1.148 24 D HN -0.066 nan 8.370 nan 0.000 0.464 25 I N 2.389 123.236 120.570 0.462 0.000 2.474 25 I HA 0.255 4.426 4.170 0.001 0.000 0.287 25 I C 0.222 176.678 176.117 0.564 0.000 1.048 25 I CA -0.272 61.306 61.300 0.463 0.000 1.383 25 I CB 0.822 39.002 38.000 0.300 0.000 1.412 25 I HN 0.113 nan 8.210 nan 0.000 0.531 26 I N 5.657 126.566 120.570 0.566 0.000 2.447 26 I HA 0.504 4.675 4.170 0.001 0.000 0.287 26 I C -0.172 176.163 176.117 0.364 0.000 1.023 26 I CA -0.515 61.081 61.300 0.494 0.000 1.083 26 I CB 1.819 40.069 38.000 0.417 0.000 1.245 26 I HN 0.570 nan 8.210 nan 0.000 0.434 27 A N 6.442 129.476 122.820 0.357 0.000 2.292 27 A HA 0.753 5.074 4.320 0.001 0.000 0.319 27 A C -0.565 176.981 177.584 -0.063 0.000 1.206 27 A CA -0.492 51.583 52.037 0.063 0.000 0.835 27 A CB 1.007 20.052 19.000 0.076 0.000 1.164 27 A HN 0.457 nan 8.150 nan 0.000 0.505 28 V N 3.236 123.017 119.914 -0.222 0.000 2.350 28 V HA 0.445 4.565 4.120 0.001 0.000 0.276 28 V C -0.927 174.987 176.094 -0.300 0.000 1.028 28 V CA -0.059 62.145 62.300 -0.159 0.000 0.860 28 V CB 0.315 32.099 31.823 -0.065 0.000 0.990 28 V HN 0.696 nan 8.190 nan 0.000 0.453 29 F N 3.351 123.320 119.950 0.031 0.000 2.495 29 F HA 0.593 5.120 4.527 0.001 0.000 0.327 29 F C 0.435 176.285 175.800 0.082 0.000 1.103 29 F CA -0.780 57.253 58.000 0.054 0.000 0.949 29 F CB 1.777 40.785 39.000 0.013 0.000 1.142 29 F HN 0.316 nan 8.300 nan 0.000 0.457 30 R N 2.743 123.441 120.500 0.331 0.000 2.196 30 R HA 0.615 4.956 4.340 0.001 0.000 0.340 30 R C -1.743 174.752 176.300 0.324 0.000 1.043 30 R CA -0.244 56.039 56.100 0.305 0.000 0.883 30 R CB 0.493 30.963 30.300 0.283 0.000 1.078 30 R HN 0.546 nan 8.270 nan 0.000 0.462 31 V N 4.175 124.268 119.914 0.298 0.000 2.417 31 V HA 0.316 4.437 4.120 0.001 0.000 0.291 31 V C -0.221 176.046 176.094 0.289 0.000 1.024 31 V CA -0.636 61.808 62.300 0.241 0.000 0.861 31 V CB 1.941 33.843 31.823 0.132 0.000 0.985 31 V HN 0.768 nan 8.190 nan 0.000 0.436 32 T N 7.318 122.023 114.554 0.253 0.000 2.874 32 T HA 0.378 4.728 4.350 0.001 0.000 0.321 32 T C -2.666 172.131 174.700 0.162 0.000 1.075 32 T CA -1.296 60.943 62.100 0.232 0.000 0.966 32 T CB 1.369 70.357 68.868 0.200 0.000 1.001 32 T HN 0.394 nan 8.240 nan 0.000 0.476 33 P HA 0.285 nan 4.420 nan 0.000 0.268 33 P C -0.261 177.122 177.300 0.138 0.000 1.205 33 P CA -0.361 62.815 63.100 0.127 0.000 0.771 33 P CB 0.414 32.204 31.700 0.150 0.000 0.858 34 A N 2.472 125.367 122.820 0.125 0.000 2.406 34 A HA 0.048 4.369 4.320 0.001 0.000 0.243 34 A C 0.434 178.176 177.584 0.263 0.000 1.082 34 A CA -0.276 51.861 52.037 0.166 0.000 0.786 34 A CB -0.421 18.658 19.000 0.133 0.000 1.029 34 A HN 0.595 nan 8.150 nan 0.000 0.495 35 E N -0.230 120.080 120.200 0.182 0.000 2.558 35 E HA 0.285 4.635 4.350 0.001 0.000 0.255 35 E C 1.167 177.826 176.600 0.098 0.000 0.968 35 E CA 1.277 57.752 56.400 0.124 0.000 0.939 35 E CB -0.079 29.666 29.700 0.075 0.000 0.921 35 E HN 1.421 nan 8.360 nan 0.000 0.477 36 G N 3.436 112.242 108.800 0.009 0.000 2.141 36 G HA2 -0.275 3.686 3.960 0.001 0.000 0.231 36 G HA3 -0.275 3.686 3.960 0.001 0.000 0.231 36 G C -0.792 173.878 174.900 -0.384 0.000 0.984 36 G CA 0.042 45.036 45.100 -0.178 0.000 0.660 36 G HN 0.491 nan 8.290 nan 0.000 0.525 37 Y N 0.897 121.218 120.300 0.035 0.000 2.425 37 Y HA 0.599 5.150 4.550 0.001 0.000 0.344 37 Y C 1.006 176.916 175.900 0.017 0.000 0.969 37 Y CA -0.200 57.919 58.100 0.031 0.000 1.052 37 Y CB 1.798 40.280 38.460 0.038 0.000 1.215 37 Y HN 0.305 nan 8.280 nan 0.000 0.451 38 T N -0.695 113.942 114.554 0.138 0.000 2.868 38 T HA 0.132 4.482 4.350 0.001 0.000 0.292 38 T C 1.094 175.784 174.700 -0.018 0.000 1.028 38 T CA -0.525 61.593 62.100 0.029 0.000 1.059 38 T CB 0.925 69.780 68.868 -0.022 0.000 0.991 38 T HN 0.623 nan 8.240 nan 0.000 0.531 39 I N 0.991 121.441 120.570 -0.200 0.000 2.264 39 I HA -0.089 4.081 4.170 0.001 0.000 0.248 39 I C 2.136 178.202 176.117 -0.086 0.000 1.111 39 I CA 1.569 62.686 61.300 -0.305 0.000 1.382 39 I CB -0.838 36.553 38.000 -1.016 0.000 1.060 39 I HN 0.803 nan 8.210 nan 0.000 0.418 40 E N 0.131 120.248 120.200 -0.139 0.000 2.110 40 E HA -0.241 4.109 4.350 0.001 0.000 0.193 40 E C 2.227 178.863 176.600 0.061 0.000 0.988 40 E CA 1.438 57.809 56.400 -0.049 0.000 0.804 40 E CB -0.300 29.288 29.700 -0.188 0.000 0.745 40 E HN 0.620 nan 8.360 nan 0.000 0.458 41 Q N -0.333 119.509 119.800 0.069 0.000 2.119 41 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 41 Q C 2.128 178.178 176.000 0.084 0.000 0.972 41 Q CA 1.293 57.184 55.803 0.146 0.000 0.847 41 Q CB -0.093 28.794 28.738 0.248 0.000 0.903 41 Q HN 0.308 nan 8.270 nan 0.000 0.433 42 A N 0.846 123.682 122.820 0.026 0.000 1.898 42 A HA 0.036 4.356 4.320 0.001 0.000 0.214 42 A C 2.269 179.791 177.584 -0.103 0.000 1.183 42 A CA 1.203 53.200 52.037 -0.066 0.000 0.622 42 A CB -0.650 18.325 19.000 -0.042 0.000 0.824 42 A HN 0.358 nan 8.150 nan 0.000 0.444 43 A N -0.216 122.587 122.820 -0.028 0.000 1.902 43 A HA 0.110 4.431 4.320 0.001 0.000 0.217 43 A C 2.402 179.951 177.584 -0.058 0.000 1.181 43 A CA 1.959 53.964 52.037 -0.053 0.000 0.623 43 A CB -1.434 17.600 19.000 0.056 0.000 0.818 43 A HN 0.719 nan 8.150 nan 0.000 0.443 44 G N -0.401 108.418 108.800 0.033 0.000 2.446 44 G HA2 -0.056 3.904 3.960 0.001 0.000 0.217 44 G HA3 -0.056 3.904 3.960 0.001 0.000 0.217 44 G C 1.766 176.548 174.900 -0.196 0.000 1.168 44 G CA 1.640 46.780 45.100 0.067 0.000 0.771 44 G HN 0.832 nan 8.290 nan 0.000 0.551 45 A N 0.001 122.576 122.820 -0.409 0.000 1.902 45 A HA 0.069 4.389 4.320 0.001 0.000 0.217 45 A C 2.627 179.825 177.584 -0.644 0.000 1.181 45 A CA 1.902 53.357 52.037 -0.969 0.000 0.623 45 A CB -0.662 17.882 19.000 -0.760 0.000 0.818 45 A HN 0.276 nan 8.150 nan 0.000 0.443 46 V N -0.142 119.509 119.914 -0.440 0.000 2.295 46 V HA -0.257 3.864 4.120 0.001 0.000 0.246 46 V C 3.068 178.953 176.094 -0.349 0.000 1.049 46 V CA 1.998 64.039 62.300 -0.432 0.000 1.024 46 V CB -1.260 30.249 31.823 -0.523 0.000 0.648 46 V HN 0.622 nan 8.190 nan 0.000 0.447 47 A N -0.108 122.544 122.820 -0.281 0.000 1.902 47 A HA -0.123 4.198 4.320 0.001 0.000 0.217 47 A C 2.417 179.781 177.584 -0.368 0.000 1.181 47 A CA 2.195 54.113 52.037 -0.199 0.000 0.623 47 A CB -0.789 18.162 19.000 -0.081 0.000 0.818 47 A HN 0.570 nan 8.150 nan 0.000 0.443 48 A N -0.454 121.943 122.820 -0.705 0.000 1.858 48 A HA -0.131 4.189 4.320 0.001 0.000 0.216 48 A C 1.900 179.209 177.584 -0.458 0.000 1.190 48 A CA 1.595 52.984 52.037 -1.081 0.000 0.617 48 A CB -0.444 18.016 19.000 -0.900 0.000 0.827 48 A HN 0.438 nan 8.150 nan 0.000 0.443 49 E N 0.443 120.434 120.200 -0.348 0.000 2.347 49 E HA -0.077 4.274 4.350 0.001 0.000 0.196 49 E C 1.814 178.352 176.600 -0.103 0.000 1.008 49 E CA 1.137 57.431 56.400 -0.176 0.000 0.852 49 E CB -0.218 29.370 29.700 -0.187 0.000 0.783 49 E HN 0.721 nan 8.360 nan 0.000 0.505 50 S N -1.343 114.305 115.700 -0.087 0.000 2.577 50 S HA 0.231 4.701 4.470 0.001 0.000 0.219 50 S C 1.201 175.889 174.600 0.146 0.000 0.962 50 S CA -0.064 58.159 58.200 0.038 0.000 0.921 50 S CB 0.627 63.886 63.200 0.098 0.000 0.789 50 S HN 0.006 nan 8.310 nan 0.000 0.497 51 S N 1.368 117.102 115.700 0.057 0.000 3.881 51 S HA 0.361 4.831 4.470 0.001 0.000 0.189 51 S C 0.889 175.504 174.600 0.025 0.000 1.135 51 S CA 0.518 58.764 58.200 0.078 0.000 1.435 51 S CB 0.342 63.594 63.200 0.086 0.000 1.506 51 S HN 0.571 nan 8.310 nan 0.000 0.814 52 T N -0.142 114.456 114.554 0.074 0.000 3.132 52 T HA 0.512 4.862 4.350 0.001 0.000 0.274 52 T C 0.584 175.472 174.700 0.314 0.000 1.011 52 T CA 0.269 62.461 62.100 0.154 0.000 0.899 52 T CB 0.226 69.125 68.868 0.052 0.000 1.089 52 T HN 0.536 nan 8.240 nan 0.000 0.543 53 G N 0.216 109.107 108.800 0.152 0.000 2.531 53 G HA2 0.590 4.550 3.960 0.001 0.000 0.313 53 G HA3 0.590 4.550 3.960 0.001 0.000 0.313 53 G C -1.000 174.006 174.900 0.177 0.000 1.238 53 G CA -0.483 44.735 45.100 0.197 0.000 0.994 53 G HN 0.378 nan 8.290 nan 0.000 0.493 54 T N -1.444 113.252 114.554 0.237 0.000 2.821 54 T HA 0.375 4.725 4.350 0.001 0.000 0.306 54 T C 0.227 175.050 174.700 0.205 0.000 1.313 54 T CA -0.508 61.698 62.100 0.177 0.000 1.012 54 T CB 1.026 69.898 68.868 0.007 0.000 1.298 54 T HN 0.731 nan 8.240 nan 0.000 0.502 55 W N 2.084 123.468 121.300 0.139 0.000 2.905 55 W HA 0.281 4.942 4.660 0.001 0.000 0.251 55 W C 0.327 176.797 176.519 -0.083 0.000 1.305 55 W CA 0.469 57.849 57.345 0.059 0.000 1.465 55 W CB -0.862 28.666 29.460 0.113 0.000 1.122 55 W HN 0.631 nan 8.180 nan 0.000 0.659 56 T N 1.429 115.501 114.554 -0.802 0.000 2.858 56 T HA 0.382 4.733 4.350 0.001 0.000 0.285 56 T C 0.042 174.496 174.700 -0.409 0.000 1.052 56 T CA 0.044 61.691 62.100 -0.756 0.000 1.009 56 T CB 1.433 69.509 68.868 -1.320 0.000 1.241 56 T HN -0.026 nan 8.240 nan 0.000 0.542 57 T N 1.982 116.361 114.554 -0.291 0.000 2.907 57 T HA 0.548 4.898 4.350 0.001 0.000 0.298 57 T C -0.101 174.516 174.700 -0.138 0.000 1.017 57 T CA -0.701 61.294 62.100 -0.175 0.000 1.118 57 T CB 0.073 68.867 68.868 -0.122 0.000 0.948 57 T HN 0.305 nan 8.240 nan 0.000 0.531 58 L N 1.988 123.147 121.223 -0.107 0.000 2.418 58 L HA 0.395 4.736 4.340 0.001 0.000 0.265 58 L C -0.121 176.783 176.870 0.056 0.000 1.143 58 L CA -0.789 54.034 54.840 -0.028 0.000 0.809 58 L CB -0.029 41.969 42.059 -0.102 0.000 1.124 58 L HN 0.722 nan 8.230 nan 0.000 0.456 59 Y N 2.808 123.161 120.300 0.089 0.000 2.331 59 Y HA 0.456 5.007 4.550 0.001 0.000 0.338 59 Y C -2.092 173.924 175.900 0.194 0.000 0.976 59 Y CA -2.593 55.575 58.100 0.115 0.000 1.137 59 Y CB 1.402 39.942 38.460 0.133 0.000 1.172 59 Y HN 0.464 nan 8.280 nan 0.000 0.478 60 P HA -0.018 nan 4.420 nan 0.000 0.259 60 P C -0.276 176.731 177.300 -0.488 0.000 1.635 60 P CA 0.440 63.114 63.100 -0.710 0.000 1.199 60 P CB -0.519 30.790 31.700 -0.651 0.000 1.850 61 W N 2.816 123.956 121.300 -0.268 0.000 2.846 61 W HA 0.257 4.918 4.660 0.001 0.000 0.391 61 W C -0.993 175.563 176.519 0.061 0.000 1.011 61 W CA -0.641 56.713 57.345 0.015 0.000 1.832 61 W CB -0.912 28.712 29.460 0.274 0.000 1.151 61 W HN 0.147 nan 8.180 nan 0.000 0.582 62 Y N -0.972 119.028 120.300 -0.500 0.000 2.609 62 Y HA 0.588 5.139 4.550 0.001 0.000 0.342 62 Y C -0.110 175.613 175.900 -0.295 0.000 1.058 62 Y CA -2.106 55.688 58.100 -0.511 0.000 1.055 62 Y CB 0.443 38.379 38.460 -0.874 0.000 1.292 62 Y HN -0.076 nan 8.280 nan 0.000 0.476 63 E N 1.580 121.732 120.200 -0.079 0.000 2.292 63 E HA -0.038 4.312 4.350 0.001 0.000 0.265 63 E C 0.400 177.003 176.600 0.005 0.000 1.093 63 E CA -0.021 56.336 56.400 -0.071 0.000 0.922 63 E CB 1.105 30.800 29.700 -0.009 0.000 1.001 63 E HN 0.825 nan 8.360 nan 0.000 0.444 64 Q N 3.659 123.393 119.800 -0.109 0.000 2.124 64 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 64 Q C 2.108 178.218 176.000 0.184 0.000 0.977 64 Q CA 2.520 58.325 55.803 0.003 0.000 0.850 64 Q CB -0.041 28.625 28.738 -0.120 0.000 0.901 64 Q HN 0.765 nan 8.270 nan 0.000 0.429 65 E N 0.593 120.846 120.200 0.089 0.000 2.077 65 E HA -0.213 4.138 4.350 0.001 0.000 0.193 65 E C 1.863 178.516 176.600 0.088 0.000 0.989 65 E CA 1.379 57.828 56.400 0.083 0.000 0.800 65 E CB -0.644 29.077 29.700 0.036 0.000 0.746 65 E HN 0.447 nan 8.360 nan 0.000 0.452 66 R N -1.457 119.098 120.500 0.091 0.000 2.073 66 R HA -0.134 4.207 4.340 0.001 0.000 0.234 66 R C 2.339 178.680 176.300 0.069 0.000 1.134 66 R CA 1.900 58.038 56.100 0.063 0.000 0.952 66 R CB -0.553 29.779 30.300 0.054 0.000 0.850 66 R HN 0.668 nan 8.270 nan 0.000 0.433 67 W N 1.007 122.289 121.300 -0.031 0.000 2.335 67 W HA -0.232 4.428 4.660 0.001 0.000 0.311 67 W C 2.005 178.491 176.519 -0.055 0.000 1.213 67 W CA 2.359 59.665 57.345 -0.065 0.000 1.274 67 W CB -0.477 28.982 29.460 -0.003 0.000 1.148 67 W HN 0.208 nan 8.180 nan 0.000 0.498 68 A N -0.153 122.633 122.820 -0.057 0.000 1.933 68 A HA -0.238 4.082 4.320 0.001 0.000 0.218 68 A C 1.678 179.102 177.584 -0.267 0.000 1.175 68 A CA 2.168 54.018 52.037 -0.311 0.000 0.628 68 A CB -1.268 17.780 19.000 0.081 0.000 0.814 68 A HN 0.450 nan 8.150 nan 0.000 0.444 69 D N -0.459 119.855 120.400 -0.143 0.000 2.218 69 D HA -0.067 4.573 4.640 0.001 0.000 0.204 69 D C 1.468 177.641 176.300 -0.212 0.000 0.976 69 D CA 0.925 54.857 54.000 -0.113 0.000 0.853 69 D CB -0.127 40.662 40.800 -0.017 0.000 0.939 69 D HN 0.440 nan 8.370 nan 0.000 0.481 70 L N -0.313 120.722 121.223 -0.312 0.000 2.640 70 L HA 0.237 4.577 4.340 0.001 0.000 0.230 70 L C 0.535 177.191 176.870 -0.357 0.000 1.123 70 L CA -0.220 54.387 54.840 -0.389 0.000 0.900 70 L CB 0.280 42.113 42.059 -0.377 0.000 1.146 70 L HN -0.151 nan 8.230 nan 0.000 0.484 71 S N 0.907 116.364 115.700 -0.405 0.000 2.565 71 S HA 0.510 4.981 4.470 0.001 0.000 0.276 71 S C 0.474 174.941 174.600 -0.222 0.000 1.326 71 S CA -0.633 57.373 58.200 -0.324 0.000 1.045 71 S CB 1.472 64.355 63.200 -0.528 0.000 0.918 71 S HN 0.262 nan 8.310 nan 0.000 0.505 72 A N 3.218 125.982 122.820 -0.093 0.000 2.332 72 A HA 0.600 4.921 4.320 0.001 0.000 0.258 72 A C -0.165 177.295 177.584 -0.207 0.000 1.087 72 A CA -0.418 51.448 52.037 -0.285 0.000 0.802 72 A CB 0.328 18.989 19.000 -0.565 0.000 1.042 72 A HN 0.589 nan 8.150 nan 0.000 0.489 73 K N 0.623 120.839 120.400 -0.308 0.000 2.507 73 K HA 0.533 4.854 4.320 0.001 0.000 0.252 73 K C -0.814 175.780 176.600 -0.009 0.000 0.943 73 K CA -0.292 55.880 56.287 -0.191 0.000 0.808 73 K CB 1.743 34.002 32.500 -0.400 0.000 1.142 73 K HN 0.779 nan 8.250 nan 0.000 0.426 74 A N 3.284 126.138 122.820 0.057 0.000 2.396 74 A HA 0.335 4.655 4.320 0.001 0.000 0.279 74 A C 0.195 177.927 177.584 0.246 0.000 1.165 74 A CA -0.056 52.023 52.037 0.070 0.000 0.824 74 A CB -0.403 18.617 19.000 0.033 0.000 1.100 74 A HN 0.825 nan 8.150 nan 0.000 0.516 75 Y N -0.014 120.359 120.300 0.122 0.000 2.423 75 Y HA 0.416 4.967 4.550 0.001 0.000 0.257 75 Y C -0.004 176.054 175.900 0.264 0.000 1.087 75 Y CA -0.378 57.859 58.100 0.228 0.000 1.258 75 Y CB 0.620 39.227 38.460 0.246 0.000 1.237 75 Y HN 0.460 nan 8.280 nan 0.000 0.517 76 D N 0.803 120.940 120.400 -0.438 0.000 2.757 76 D HA 0.316 4.957 4.640 0.001 0.000 0.249 76 D C -1.878 174.325 176.300 -0.163 0.000 1.168 76 D CA -0.415 53.465 54.000 -0.200 0.000 0.870 76 D CB 1.656 42.194 40.800 -0.437 0.000 1.411 76 D HN 0.098 nan 8.370 nan 0.000 0.525 77 F N 2.142 122.118 119.950 0.044 0.000 2.518 77 F HA 0.257 4.785 4.527 0.001 0.000 0.323 77 F C -0.128 175.888 175.800 0.360 0.000 1.129 77 F CA -0.969 57.147 58.000 0.194 0.000 0.920 77 F CB 1.819 40.889 39.000 0.117 0.000 1.160 77 F HN 0.361 nan 8.300 nan 0.000 0.440 78 H N 2.102 121.420 119.070 0.413 0.000 2.727 78 H HA 0.241 4.798 4.556 0.001 0.000 0.330 78 H C -1.182 174.153 175.328 0.011 0.000 0.986 78 H CA -0.815 55.346 56.048 0.189 0.000 1.251 78 H CB 1.037 30.798 29.762 -0.001 0.000 1.493 78 H HN 0.483 nan 8.280 nan 0.000 0.515 79 D N 5.191 125.049 120.400 -0.904 0.000 2.358 79 D HA -0.022 4.619 4.640 0.001 0.000 0.258 79 D C 0.827 176.480 176.300 -1.077 0.000 1.223 79 D CA -0.144 52.876 54.000 -1.634 0.000 0.886 79 D CB 0.817 40.548 40.800 -1.783 0.000 1.120 79 D HN 0.595 nan 8.370 nan 0.000 0.482 80 M N 2.496 121.672 119.600 -0.707 0.000 2.492 80 M HA 0.116 4.597 4.480 0.001 0.000 0.262 80 M C 1.610 177.754 176.300 -0.260 0.000 1.090 80 M CA 0.811 55.911 55.300 -0.333 0.000 1.110 80 M CB -0.749 31.802 32.600 -0.082 0.000 1.407 80 M HN 0.735 nan 8.290 nan 0.000 0.470 81 G N 1.560 110.151 108.800 -0.349 0.000 2.176 81 G HA2 -0.238 3.722 3.960 0.001 0.000 0.253 81 G HA3 -0.238 3.722 3.960 0.001 0.000 0.253 81 G C 0.155 174.997 174.900 -0.098 0.000 0.979 81 G CA 0.642 45.612 45.100 -0.215 0.000 0.641 81 G HN 0.570 nan 8.290 nan 0.000 0.530 82 D N -0.975 119.393 120.400 -0.053 0.000 2.469 82 D HA 0.444 5.085 4.640 0.001 0.000 0.215 82 D C 1.669 177.985 176.300 0.027 0.000 1.154 82 D CA 0.578 54.591 54.000 0.022 0.000 0.832 82 D CB -0.228 40.641 40.800 0.114 0.000 1.008 82 D HN 1.509 nan 8.370 nan 0.000 0.506 83 G N 0.150 108.964 108.800 0.024 0.000 2.213 83 G HA2 -0.220 3.740 3.960 0.001 0.000 0.226 83 G HA3 -0.220 3.740 3.960 0.001 0.000 0.226 83 G C 0.321 175.346 174.900 0.207 0.000 0.992 83 G CA 0.201 45.363 45.100 0.105 0.000 0.632 83 G HN 0.880 nan 8.290 nan 0.000 0.511 84 S N -0.893 114.915 115.700 0.181 0.000 2.621 84 S HA 0.845 5.316 4.470 0.001 0.000 0.302 84 S C -0.797 173.926 174.600 0.205 0.000 1.093 84 S CA -0.650 57.738 58.200 0.313 0.000 1.017 84 S CB 2.050 65.493 63.200 0.405 0.000 1.077 84 S HN 0.609 nan 8.310 nan 0.000 0.517 85 W N 0.330 121.711 121.300 0.135 0.000 2.950 85 W HA 0.577 5.237 4.660 0.001 0.000 0.340 85 W C -0.838 175.736 176.519 0.092 0.000 1.139 85 W CA -1.075 56.329 57.345 0.097 0.000 1.188 85 W CB 1.171 30.700 29.460 0.114 0.000 1.426 85 W HN 0.464 nan 8.180 nan 0.000 0.531 86 I N 3.570 124.315 120.570 0.292 0.000 2.325 86 I HA 0.287 4.457 4.170 0.001 0.000 0.291 86 I C -0.260 175.903 176.117 0.077 0.000 1.019 86 I CA -0.897 60.498 61.300 0.157 0.000 1.302 86 I CB 0.114 38.131 38.000 0.029 0.000 1.401 86 I HN 0.047 nan 8.210 nan 0.000 0.485 87 V N 7.715 127.619 119.914 -0.016 0.000 2.487 87 V HA 0.466 4.587 4.120 0.001 0.000 0.298 87 V C 0.253 176.232 176.094 -0.191 0.000 1.028 87 V CA -0.903 61.226 62.300 -0.285 0.000 0.860 87 V CB 2.106 33.679 31.823 -0.415 0.000 0.991 87 V HN 0.627 nan 8.190 nan 0.000 0.427 88 R N 4.875 125.147 120.500 -0.380 0.000 2.346 88 R HA 0.727 5.068 4.340 0.001 0.000 0.311 88 R C -1.089 175.058 176.300 -0.255 0.000 0.983 88 R CA -0.480 55.429 56.100 -0.319 0.000 0.880 88 R CB 1.677 31.638 30.300 -0.564 0.000 1.100 88 R HN 0.600 nan 8.270 nan 0.000 0.453 89 I N 1.834 122.473 120.570 0.115 0.000 2.466 89 I HA 0.406 4.577 4.170 0.001 0.000 0.289 89 I C -0.240 176.016 176.117 0.232 0.000 1.026 89 I CA -0.937 60.453 61.300 0.150 0.000 1.078 89 I CB 2.099 40.164 38.000 0.109 0.000 1.249 89 I HN 0.607 nan 8.210 nan 0.000 0.429 90 A N 6.488 129.395 122.820 0.145 0.000 2.305 90 A HA 0.783 5.104 4.320 0.001 0.000 0.322 90 A C -1.427 176.055 177.584 -0.170 0.000 1.187 90 A CA -0.240 51.874 52.037 0.129 0.000 0.825 90 A CB 0.452 19.518 19.000 0.111 0.000 1.164 90 A HN 0.643 nan 8.150 nan 0.000 0.498 91 Y N 2.485 122.905 120.300 0.201 0.000 2.391 91 Y HA 0.466 5.017 4.550 0.001 0.000 0.341 91 Y C -2.226 173.785 175.900 0.185 0.000 0.965 91 Y CA -2.527 55.677 58.100 0.173 0.000 1.067 91 Y CB 2.190 40.865 38.460 0.358 0.000 1.199 91 Y HN 0.512 nan 8.280 nan 0.000 0.450 92 P HA -0.018 nan 4.420 nan 0.000 0.271 92 P C 0.496 177.917 177.300 0.201 0.000 1.216 92 P CA -0.229 62.946 63.100 0.125 0.000 0.776 92 P CB 0.667 32.361 31.700 -0.010 0.000 0.881 93 F N 2.931 123.068 119.950 0.312 0.000 2.269 93 F HA -0.184 4.344 4.527 0.001 0.000 0.301 93 F C 1.818 177.788 175.800 0.282 0.000 1.082 93 F CA 1.342 59.520 58.000 0.298 0.000 1.360 93 F CB -1.899 37.190 39.000 0.148 0.000 1.041 93 F HN 0.420 nan 8.300 nan 0.000 0.512 94 H N -0.190 118.746 119.070 -0.224 0.000 2.543 94 H HA 0.483 5.040 4.556 0.001 0.000 0.269 94 H C 1.585 176.847 175.328 -0.111 0.000 1.005 94 H CA 0.436 56.429 56.048 -0.092 0.000 1.146 94 H CB -0.837 28.753 29.762 -0.288 0.000 1.353 94 H HN 0.413 nan 8.280 nan 0.000 0.595 95 A N 0.454 123.000 122.820 -0.458 0.000 2.123 95 A HA 0.186 4.506 4.320 0.001 0.000 0.214 95 A C 0.072 177.298 177.584 -0.598 0.000 1.152 95 A CA -0.047 51.609 52.037 -0.635 0.000 0.728 95 A CB -0.264 18.247 19.000 -0.816 0.000 0.814 95 A HN 0.192 nan 8.150 nan 0.000 0.464 96 F N -0.262 119.673 119.950 -0.026 0.000 2.492 96 F HA 0.416 4.944 4.527 0.001 0.000 0.327 96 F C 0.456 176.255 175.800 -0.002 0.000 1.079 96 F CA -1.282 56.704 58.000 -0.023 0.000 0.967 96 F CB 0.958 39.930 39.000 -0.046 0.000 1.169 96 F HN 0.128 nan 8.300 nan 0.000 0.472 97 E N 1.939 122.239 120.200 0.167 0.000 2.414 97 E HA 0.005 4.356 4.350 0.001 0.000 0.263 97 E C -0.568 176.068 176.600 0.059 0.000 1.000 97 E CA -0.301 56.152 56.400 0.087 0.000 0.914 97 E CB 0.491 30.222 29.700 0.050 0.000 0.948 97 E HN 0.600 nan 8.360 nan 0.000 0.444 98 E N 2.593 122.810 120.200 0.028 0.000 2.414 98 E HA 0.115 4.465 4.350 0.001 0.000 0.263 98 E C 0.191 176.732 176.600 -0.100 0.000 1.000 98 E CA 0.575 56.950 56.400 -0.041 0.000 0.914 98 E CB 0.527 30.201 29.700 -0.042 0.000 0.948 98 E HN 0.713 nan 8.360 nan 0.000 0.444 99 A N 3.793 126.498 122.820 -0.191 0.000 2.745 99 A HA -0.221 4.099 4.320 0.001 0.000 0.296 99 A C -0.006 177.471 177.584 -0.178 0.000 1.500 99 A CA 0.891 52.770 52.037 -0.262 0.000 0.766 99 A CB -1.667 17.192 19.000 -0.236 0.000 1.030 99 A HN 0.522 nan 8.150 nan 0.000 0.489 100 N N -0.349 118.269 118.700 -0.135 0.000 2.716 100 N HA 0.391 5.132 4.740 0.001 0.000 0.253 100 N C 0.377 175.846 175.510 -0.069 0.000 1.170 100 N CA -0.244 52.765 53.050 -0.069 0.000 0.807 100 N CB 0.682 39.154 38.487 -0.024 0.000 1.183 100 N HN 0.406 nan 8.380 nan 0.000 0.524 101 L N 4.906 126.105 121.223 -0.041 0.000 2.056 101 L HA 0.269 4.609 4.340 0.001 0.000 0.207 101 L C -1.018 175.790 176.870 -0.103 0.000 1.078 101 L CA 1.877 56.697 54.840 -0.034 0.000 0.749 101 L CB -0.941 41.184 42.059 0.111 0.000 0.901 101 L HN 0.330 nan 8.230 nan 0.000 0.433 102 P HA -0.114 nan 4.420 nan 0.000 0.216 102 P C 1.635 178.911 177.300 -0.039 0.000 1.150 102 P CA 1.825 64.911 63.100 -0.023 0.000 0.843 102 P CB -0.393 31.353 31.700 0.076 0.000 0.787 103 G N -0.157 108.633 108.800 -0.018 0.000 2.402 103 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 103 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 103 G C 1.434 176.337 174.900 0.006 0.000 1.162 103 G CA 0.428 45.535 45.100 0.013 0.000 0.777 103 G HN 0.208 nan 8.290 nan 0.000 0.539 104 L N 0.649 121.816 121.223 -0.095 0.000 2.046 104 L HA 0.103 4.443 4.340 0.001 0.000 0.208 104 L C 2.682 179.427 176.870 -0.208 0.000 1.077 104 L CA 1.357 56.036 54.840 -0.267 0.000 0.747 104 L CB -0.649 41.107 42.059 -0.505 0.000 0.896 104 L HN 0.210 nan 8.230 nan 0.000 0.432 105 L N -0.612 120.484 121.223 -0.211 0.000 2.131 105 L HA -0.173 4.168 4.340 0.001 0.000 0.210 105 L C 2.614 179.429 176.870 -0.091 0.000 1.092 105 L CA 1.067 55.779 54.840 -0.213 0.000 0.759 105 L CB -0.882 40.945 42.059 -0.387 0.000 0.903 105 L HN 0.377 nan 8.230 nan 0.000 0.435 106 A N -1.200 121.592 122.820 -0.046 0.000 2.019 106 A HA -0.191 4.130 4.320 0.001 0.000 0.219 106 A C 2.519 180.115 177.584 0.021 0.000 1.164 106 A CA 2.098 54.140 52.037 0.008 0.000 0.644 106 A CB -0.388 18.628 19.000 0.027 0.000 0.805 106 A HN 0.349 nan 8.150 nan 0.000 0.449 107 S N -0.598 115.120 115.700 0.029 0.000 2.341 107 S HA -0.013 4.458 4.470 0.001 0.000 0.216 107 S C 1.530 176.133 174.600 0.005 0.000 1.034 107 S CA 1.264 59.497 58.200 0.055 0.000 0.964 107 S CB -0.244 63.074 63.200 0.196 0.000 0.882 107 S HN 0.737 nan 8.310 nan 0.000 0.469 108 I N -0.894 119.648 120.570 -0.046 0.000 3.883 108 I HA 0.545 4.715 4.170 0.001 0.000 0.326 108 I C 0.614 176.767 176.117 0.061 0.000 1.283 108 I CA -0.374 60.921 61.300 -0.008 0.000 1.161 108 I CB 0.055 37.962 38.000 -0.156 0.000 1.012 108 I HN 0.121 nan 8.210 nan 0.000 0.421 109 A N -0.002 122.830 122.820 0.020 0.000 2.676 109 A HA 0.823 5.144 4.320 0.001 0.000 0.258 109 A C 0.802 178.504 177.584 0.196 0.000 0.898 109 A CA 0.033 52.158 52.037 0.147 0.000 1.087 109 A CB -0.742 18.380 19.000 0.203 0.000 1.214 109 A HN 0.392 nan 8.150 nan 0.000 0.474 110 G N 0.126 108.949 108.800 0.037 0.000 3.441 110 G HA2 0.242 4.203 3.960 0.001 0.000 0.195 110 G HA3 0.242 4.203 3.960 0.001 0.000 0.195 110 G C 0.723 175.669 174.900 0.076 0.000 1.633 110 G CA 0.229 45.376 45.100 0.078 0.000 0.895 110 G HN 0.194 nan 8.290 nan 0.000 0.654 111 N N 1.224 119.941 118.700 0.028 0.000 2.258 111 N HA -0.141 4.599 4.740 0.001 0.000 0.187 111 N C 2.358 177.853 175.510 -0.025 0.000 1.012 111 N CA 1.353 54.418 53.050 0.026 0.000 0.870 111 N CB -0.480 38.013 38.487 0.011 0.000 0.977 111 N HN 0.612 nan 8.380 nan 0.000 0.434 112 I N -2.535 117.941 120.570 -0.156 0.000 2.399 112 I HA -0.219 3.951 4.170 0.001 0.000 0.254 112 I C 1.344 177.328 176.117 -0.222 0.000 1.146 112 I CA 1.334 62.467 61.300 -0.278 0.000 1.412 112 I CB -0.738 36.981 38.000 -0.468 0.000 1.076 112 I HN -0.195 nan 8.210 nan 0.000 0.432 113 F N 2.396 122.353 119.950 0.011 0.000 2.365 113 F HA 0.071 4.599 4.527 0.001 0.000 0.300 113 F C 2.469 178.363 175.800 0.156 0.000 1.090 113 F CA 1.224 59.278 58.000 0.090 0.000 1.408 113 F CB -0.678 38.355 39.000 0.055 0.000 1.060 113 F HN 0.159 nan 8.300 nan 0.000 0.534 114 G N -0.943 107.988 108.800 0.219 0.000 3.233 114 G HA2 0.161 4.122 3.960 0.001 0.000 0.234 114 G HA3 0.161 4.122 3.960 0.001 0.000 0.234 114 G C 0.604 175.537 174.900 0.055 0.000 1.137 114 G CA -0.339 44.844 45.100 0.138 0.000 0.763 114 G HN 0.063 nan 8.290 nan 0.000 0.549 115 M N 0.841 120.453 119.600 0.019 0.000 2.246 115 M HA 0.140 4.621 4.480 0.001 0.000 0.350 115 M C 1.227 177.502 176.300 -0.042 0.000 1.406 115 M CA 0.213 55.488 55.300 -0.042 0.000 1.089 115 M CB 1.194 33.729 32.600 -0.107 0.000 1.782 115 M HN 0.001 nan 8.290 nan 0.000 0.457 116 K N 1.642 122.009 120.400 -0.055 0.000 2.280 116 K HA -0.172 4.148 4.320 0.001 0.000 0.202 116 K C 1.821 178.354 176.600 -0.112 0.000 1.047 116 K CA 1.194 57.449 56.287 -0.054 0.000 0.942 116 K CB -0.040 32.437 32.500 -0.039 0.000 0.739 116 K HN 0.451 nan 8.250 nan 0.000 0.457 117 R N 1.056 121.434 120.500 -0.203 0.000 2.152 117 R HA -0.083 4.257 4.340 0.001 0.000 0.232 117 R C 0.357 176.512 176.300 -0.242 0.000 1.117 117 R CA 0.824 56.682 56.100 -0.403 0.000 0.981 117 R CB 0.064 30.130 30.300 -0.391 0.000 0.870 117 R HN 0.083 nan 8.270 nan 0.000 0.451 118 V N -2.117 117.730 119.914 -0.111 0.000 2.581 118 V HA 0.372 4.492 4.120 0.001 0.000 0.303 118 V C 0.688 176.798 176.094 0.028 0.000 1.041 118 V CA -0.953 61.335 62.300 -0.019 0.000 0.907 118 V CB 2.048 33.876 31.823 0.007 0.000 0.994 118 V HN 0.048 nan 8.190 nan 0.000 0.442 119 K N 2.765 123.201 120.400 0.061 0.000 2.137 119 K HA 0.371 4.692 4.320 0.001 0.000 0.202 119 K C 0.727 177.368 176.600 0.068 0.000 1.052 119 K CA 1.128 57.445 56.287 0.050 0.000 0.961 119 K CB 0.157 32.690 32.500 0.054 0.000 0.741 119 K HN 1.097 nan 8.250 nan 0.000 0.452 120 G N 0.536 109.438 108.800 0.170 0.000 2.742 120 G HA2 0.505 4.465 3.960 0.001 0.000 0.296 120 G HA3 0.505 4.465 3.960 0.001 0.000 0.296 120 G C -2.357 172.795 174.900 0.421 0.000 1.436 120 G CA -0.656 44.650 45.100 0.343 0.000 0.928 120 G HN 0.063 nan 8.290 nan 0.000 0.520 121 L N 1.131 122.721 121.223 0.612 0.000 2.482 121 L HA 0.776 5.116 4.340 0.001 0.000 0.269 121 L C -0.889 176.246 176.870 0.442 0.000 0.967 121 L CA -0.779 54.301 54.840 0.401 0.000 0.851 121 L CB 1.905 44.102 42.059 0.229 0.000 1.242 121 L HN 0.489 nan 8.230 nan 0.000 0.404 122 R N 4.534 125.294 120.500 0.433 0.000 2.409 122 R HA 0.445 4.785 4.340 0.001 0.000 0.313 122 R C -1.516 175.010 176.300 0.377 0.000 0.953 122 R CA -0.911 55.407 56.100 0.365 0.000 0.849 122 R CB 1.570 32.010 30.300 0.234 0.000 1.171 122 R HN 0.701 nan 8.270 nan 0.000 0.458 123 L N 5.229 126.670 121.223 0.363 0.000 2.407 123 L HA 0.170 4.510 4.340 0.001 0.000 0.282 123 L C 1.034 177.917 176.870 0.021 0.000 1.110 123 L CA 0.693 55.557 54.840 0.040 0.000 0.863 123 L CB 0.624 42.737 42.059 0.089 0.000 1.207 123 L HN 0.565 nan 8.230 nan 0.000 0.454 124 E N 2.247 122.425 120.200 -0.036 0.000 2.190 124 E HA 0.080 4.431 4.350 0.001 0.000 0.191 124 E C -0.164 176.481 176.600 0.074 0.000 0.978 124 E CA 0.452 56.866 56.400 0.022 0.000 0.839 124 E CB 0.415 30.137 29.700 0.037 0.000 0.787 124 E HN 0.686 nan 8.360 nan 0.000 0.473 125 D N -0.955 119.452 120.400 0.011 0.000 2.623 125 D HA 0.340 4.981 4.640 0.001 0.000 0.241 125 D C -1.948 174.348 176.300 -0.006 0.000 1.241 125 D CA -0.657 53.410 54.000 0.112 0.000 0.788 125 D CB 1.584 42.479 40.800 0.159 0.000 1.413 125 D HN -0.153 nan 8.370 nan 0.000 0.429 126 L N 3.296 124.513 121.223 -0.010 0.000 2.457 126 L HA 0.404 4.745 4.340 0.001 0.000 0.266 126 L C -1.637 175.176 176.870 -0.094 0.000 0.979 126 L CA -0.692 54.093 54.840 -0.092 0.000 0.857 126 L CB 1.126 43.018 42.059 -0.278 0.000 1.213 126 L HN 0.433 nan 8.230 nan 0.000 0.418 127 Y N 5.111 125.423 120.300 0.020 0.000 2.336 127 Y HA 0.591 5.142 4.550 0.001 0.000 0.335 127 Y C -1.231 174.844 175.900 0.292 0.000 1.046 127 Y CA -0.267 57.877 58.100 0.073 0.000 1.198 127 Y CB 0.596 39.137 38.460 0.136 0.000 1.182 127 Y HN 0.392 nan 8.280 nan 0.000 0.502 128 F N 8.206 127.643 119.950 -0.855 0.000 2.427 128 F HA 0.430 4.957 4.527 0.001 0.000 0.346 128 F C -2.117 173.091 175.800 -0.988 0.000 1.120 128 F CA -3.528 54.055 58.000 -0.695 0.000 1.033 128 F CB 1.162 39.919 39.000 -0.405 0.000 1.126 128 F HN 0.458 nan 8.300 nan 0.000 0.462 129 P HA 0.019 nan 4.420 nan 0.000 0.272 129 P C 0.785 178.011 177.300 -0.122 0.000 1.230 129 P CA -0.031 62.991 63.100 -0.130 0.000 0.788 129 P CB 1.047 32.804 31.700 0.096 0.000 0.949 130 E N 1.499 121.667 120.200 -0.052 0.000 2.147 130 E HA -0.281 4.070 4.350 0.001 0.000 0.199 130 E C 1.819 178.244 176.600 -0.292 0.000 1.005 130 E CA 1.627 57.885 56.400 -0.236 0.000 0.810 130 E CB -0.099 29.318 29.700 -0.472 0.000 0.736 130 E HN 0.361 nan 8.360 nan 0.000 0.460 131 K N -0.120 120.104 120.400 -0.295 0.000 2.032 131 K HA -0.196 4.125 4.320 0.001 0.000 0.209 131 K C 2.129 178.526 176.600 -0.338 0.000 1.048 131 K CA 1.397 57.453 56.287 -0.384 0.000 0.927 131 K CB -0.067 32.040 32.500 -0.656 0.000 0.712 131 K HN 0.097 nan 8.250 nan 0.000 0.441 132 L N 1.013 122.044 121.223 -0.320 0.000 2.093 132 L HA -0.141 4.199 4.340 0.001 0.000 0.208 132 L C 2.116 178.987 176.870 0.002 0.000 1.085 132 L CA 1.017 55.688 54.840 -0.281 0.000 0.755 132 L CB -0.355 41.370 42.059 -0.557 0.000 0.904 132 L HN 0.253 nan 8.230 nan 0.000 0.435 133 I N -0.253 120.337 120.570 0.034 0.000 2.208 133 I HA -0.287 3.884 4.170 0.001 0.000 0.245 133 I C 2.217 178.431 176.117 0.161 0.000 1.097 133 I CA 1.451 62.849 61.300 0.163 0.000 1.363 133 I CB -0.929 37.122 38.000 0.086 0.000 1.051 133 I HN 0.334 nan 8.210 nan 0.000 0.413 134 R N 0.518 121.004 120.500 -0.023 0.000 2.323 134 R HA -0.040 4.301 4.340 0.001 0.000 0.198 134 R C 1.382 177.635 176.300 -0.079 0.000 0.988 134 R CA 0.168 56.234 56.100 -0.056 0.000 1.041 134 R CB -0.073 30.138 30.300 -0.149 0.000 0.926 134 R HN 0.478 nan 8.270 nan 0.000 0.476 135 E N -0.341 119.787 120.200 -0.120 0.000 2.489 135 E HA 0.034 4.384 4.350 0.001 0.000 0.193 135 E C -0.485 175.857 176.600 -0.430 0.000 1.057 135 E CA 0.326 56.539 56.400 -0.311 0.000 0.866 135 E CB 0.303 29.725 29.700 -0.463 0.000 0.916 135 E HN 0.079 nan 8.360 nan 0.000 0.500 136 F N -0.471 119.467 119.950 -0.020 0.000 2.575 136 F HA 0.246 4.773 4.527 0.001 0.000 0.330 136 F C 1.214 177.025 175.800 0.018 0.000 1.056 136 F CA -0.891 57.120 58.000 0.017 0.000 0.964 136 F CB 1.290 40.323 39.000 0.056 0.000 1.258 136 F HN -0.230 nan 8.300 nan 0.000 0.484 137 D N 0.333 120.871 120.400 0.231 0.000 2.338 137 D HA 0.220 4.861 4.640 0.001 0.000 0.208 137 D C 1.126 177.501 176.300 0.125 0.000 0.997 137 D CA 1.194 55.270 54.000 0.128 0.000 0.880 137 D CB 0.453 41.300 40.800 0.079 0.000 0.980 137 D HN 0.732 nan 8.370 nan 0.000 0.509 138 G N 1.675 110.568 108.800 0.156 0.000 2.750 138 G HA2 -0.219 3.741 3.960 0.001 0.000 0.228 138 G HA3 -0.219 3.741 3.960 0.001 0.000 0.228 138 G C -2.689 172.252 174.900 0.068 0.000 1.367 138 G CA -0.983 44.175 45.100 0.098 0.000 0.871 138 G HN -0.019 nan 8.290 nan 0.000 0.560 139 P HA 0.408 nan 4.420 nan 0.000 0.268 139 P C 0.770 178.097 177.300 0.044 0.000 1.204 139 P CA 0.903 64.034 63.100 0.051 0.000 0.768 139 P CB 0.943 32.663 31.700 0.034 0.000 0.842 140 A N 2.155 125.017 122.820 0.070 0.000 1.970 140 A HA -0.030 4.291 4.320 0.001 0.000 0.216 140 A C 1.361 178.847 177.584 -0.162 0.000 1.170 140 A CA 1.318 53.332 52.037 -0.038 0.000 0.645 140 A CB -1.021 17.964 19.000 -0.025 0.000 0.816 140 A HN 0.504 nan 8.150 nan 0.000 0.447 141 F N -1.071 118.863 119.950 -0.026 0.000 2.480 141 F HA 0.415 4.943 4.527 0.001 0.000 0.280 141 F C 1.760 177.550 175.800 -0.018 0.000 1.002 141 F CA 0.748 58.735 58.000 -0.021 0.000 1.325 141 F CB -0.454 38.527 39.000 -0.031 0.000 1.134 141 F HN 0.441 nan 8.300 nan 0.000 0.646 142 G N 1.177 110.086 108.800 0.182 0.000 2.752 142 G HA2 -0.283 3.677 3.960 0.001 0.000 0.234 142 G HA3 -0.283 3.677 3.960 0.001 0.000 0.234 142 G C 0.694 175.615 174.900 0.035 0.000 1.367 142 G CA -0.082 45.050 45.100 0.054 0.000 0.879 142 G HN 0.254 nan 8.290 nan 0.000 0.563 143 I N 0.251 120.714 120.570 -0.177 0.000 2.163 143 I HA -0.174 3.997 4.170 0.001 0.000 0.243 143 I C 2.673 178.703 176.117 -0.145 0.000 1.085 143 I CA 2.307 63.328 61.300 -0.466 0.000 1.347 143 I CB -0.310 37.224 38.000 -0.777 0.000 1.044 143 I HN 0.835 nan 8.210 nan 0.000 0.408 144 E N 1.240 121.389 120.200 -0.086 0.000 2.058 144 E HA -0.214 4.137 4.350 0.001 0.000 0.194 144 E C 2.267 178.911 176.600 0.072 0.000 0.997 144 E CA 1.571 57.965 56.400 -0.011 0.000 0.801 144 E CB -0.278 29.407 29.700 -0.024 0.000 0.746 144 E HN 0.497 nan 8.360 nan 0.000 0.450 145 G N 0.436 109.304 108.800 0.114 0.000 2.422 145 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 145 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 145 G C 1.640 176.726 174.900 0.310 0.000 1.146 145 G CA 0.949 46.184 45.100 0.225 0.000 0.769 145 G HN 0.249 nan 8.290 nan 0.000 0.547 146 V N 0.456 120.547 119.914 0.295 0.000 2.379 146 V HA -0.076 4.045 4.120 0.001 0.000 0.245 146 V C 2.864 179.129 176.094 0.285 0.000 1.044 146 V CA 1.513 63.990 62.300 0.295 0.000 1.036 146 V CB -0.425 31.633 31.823 0.391 0.000 0.664 146 V HN 0.276 nan 8.190 nan 0.000 0.453 147 R N 0.229 120.906 120.500 0.294 0.000 2.091 147 R HA -0.205 4.136 4.340 0.001 0.000 0.238 147 R C 2.424 178.820 176.300 0.160 0.000 1.136 147 R CA 1.744 57.983 56.100 0.231 0.000 0.959 147 R CB -0.338 30.072 30.300 0.183 0.000 0.856 147 R HN 0.478 nan 8.270 nan 0.000 0.437 148 K N 1.030 121.517 120.400 0.145 0.000 2.002 148 K HA -0.156 4.165 4.320 0.001 0.000 0.209 148 K C 2.204 178.882 176.600 0.130 0.000 1.048 148 K CA 1.484 57.842 56.287 0.120 0.000 0.930 148 K CB -0.126 32.439 32.500 0.108 0.000 0.714 148 K HN 0.070 nan 8.250 nan 0.000 0.438 149 M N 0.694 120.393 119.600 0.165 0.000 2.106 149 M HA -0.202 4.279 4.480 0.001 0.000 0.259 149 M C 1.389 177.767 176.300 0.131 0.000 1.068 149 M CA 1.736 57.128 55.300 0.154 0.000 1.100 149 M CB -0.003 32.690 32.600 0.155 0.000 1.351 149 M HN 0.236 nan 8.290 nan 0.000 0.404 150 L N -0.424 120.882 121.223 0.139 0.000 2.585 150 L HA 0.147 4.487 4.340 0.001 0.000 0.226 150 L C 0.068 176.996 176.870 0.095 0.000 1.113 150 L CA -0.009 54.901 54.840 0.117 0.000 0.876 150 L CB -0.108 42.028 42.059 0.128 0.000 1.072 150 L HN 0.336 nan 8.230 nan 0.000 0.468 151 E N 1.151 121.410 120.200 0.098 0.000 2.252 151 E HA -0.209 4.142 4.350 0.001 0.000 0.218 151 E C -0.421 176.225 176.600 0.076 0.000 1.253 151 E CA 0.288 56.735 56.400 0.079 0.000 0.705 151 E CB -1.295 28.442 29.700 0.063 0.000 1.172 151 E HN 0.441 nan 8.360 nan 0.000 0.369 152 I N -0.454 120.173 120.570 0.095 0.000 2.420 152 I HA 0.207 4.378 4.170 0.001 0.000 0.282 152 I C 1.227 177.405 176.117 0.102 0.000 1.019 152 I CA -0.132 61.224 61.300 0.093 0.000 1.130 152 I CB 1.212 39.273 38.000 0.103 0.000 1.262 152 I HN 0.184 nan 8.210 nan 0.000 0.454 153 K N 3.686 124.132 120.400 0.076 0.000 2.044 153 K HA -0.028 4.293 4.320 0.001 0.000 0.204 153 K C 1.063 177.704 176.600 0.067 0.000 1.049 153 K CA 1.535 57.861 56.287 0.066 0.000 0.945 153 K CB -0.122 32.406 32.500 0.046 0.000 0.724 153 K HN 0.650 nan 8.250 nan 0.000 0.440 154 D N -1.198 119.240 120.400 0.062 0.000 2.753 154 D HA 0.066 4.707 4.640 0.001 0.000 0.291 154 D C 0.692 177.031 176.300 0.065 0.000 1.075 154 D CA 0.020 54.052 54.000 0.053 0.000 0.946 154 D CB 0.084 40.904 40.800 0.032 0.000 1.376 154 D HN 0.528 nan 8.370 nan 0.000 0.482 155 R N 1.996 122.530 120.500 0.058 0.000 2.774 155 R HA 0.361 4.702 4.340 0.001 0.000 0.269 155 R C -2.620 173.730 176.300 0.084 0.000 1.068 155 R CA -1.082 55.048 56.100 0.049 0.000 1.180 155 R CB -0.862 29.453 30.300 0.026 0.000 1.077 155 R HN -0.193 nan 8.270 nan 0.000 0.513 156 P HA 0.010 nan 4.420 nan 0.000 0.269 156 P C -0.366 176.974 177.300 0.066 0.000 1.209 156 P CA -0.145 63.003 63.100 0.080 0.000 0.776 156 P CB 0.351 32.078 31.700 0.046 0.000 0.876 157 I N 2.701 123.278 120.570 0.012 0.000 2.634 157 I HA 0.089 4.260 4.170 0.001 0.000 0.284 157 I C 0.158 176.359 176.117 0.140 0.000 1.124 157 I CA -0.263 61.055 61.300 0.030 0.000 1.417 157 I CB -0.804 37.124 38.000 -0.121 0.000 1.396 157 I HN 0.424 nan 8.210 nan 0.000 0.571 158 Y N 4.572 124.871 120.300 -0.001 0.000 2.391 158 Y HA 0.763 5.314 4.550 0.001 0.000 0.341 158 Y C -0.264 175.359 175.900 -0.462 0.000 0.965 158 Y CA -0.872 57.158 58.100 -0.118 0.000 1.067 158 Y CB 1.788 40.165 38.460 -0.138 0.000 1.199 158 Y HN 0.687 nan 8.280 nan 0.000 0.450 159 G N 2.907 110.885 108.800 -1.370 0.000 2.708 159 G HA2 0.620 4.581 3.960 0.001 0.000 0.289 159 G HA3 0.620 4.581 3.960 0.001 0.000 0.289 159 G C -2.374 171.735 174.900 -1.319 0.000 1.416 159 G CA -0.958 42.590 45.100 -2.587 0.000 0.829 159 G HN 0.653 nan 8.290 nan 0.000 0.480 160 V N 0.014 119.337 119.914 -0.984 0.000 2.638 160 V HA 0.498 4.618 4.120 0.001 0.000 0.306 160 V C -0.389 175.602 176.094 -0.173 0.000 1.052 160 V CA -0.743 61.312 62.300 -0.410 0.000 0.885 160 V CB 1.811 33.428 31.823 -0.342 0.000 0.999 160 V HN 0.598 nan 8.190 nan 0.000 0.424 161 V N 6.763 126.658 119.914 -0.031 0.000 2.364 161 V HA 0.325 4.446 4.120 0.001 0.000 0.272 161 V C -2.219 173.905 176.094 0.048 0.000 1.036 161 V CA -1.936 60.403 62.300 0.064 0.000 0.880 161 V CB 1.547 33.439 31.823 0.115 0.000 0.991 161 V HN 0.742 nan 8.190 nan 0.000 0.460 162 P HA 0.110 nan 4.420 nan 0.000 0.264 162 P C -0.627 176.681 177.300 0.013 0.000 1.183 162 P CA 0.190 63.262 63.100 -0.046 0.000 0.763 162 P CB 0.378 31.956 31.700 -0.203 0.000 0.807 163 K N 3.630 124.021 120.400 -0.015 0.000 2.378 163 K HA 0.448 4.769 4.320 0.001 0.000 0.252 163 K C -2.393 174.222 176.600 0.025 0.000 0.931 163 K CA -2.049 54.266 56.287 0.047 0.000 0.794 163 K CB 1.146 33.676 32.500 0.050 0.000 1.181 163 K HN 0.310 nan 8.250 nan 0.000 0.425 164 P HA 0.128 nan 4.420 nan 0.000 0.269 164 P C 0.280 177.709 177.300 0.214 0.000 1.215 164 P CA -0.174 63.001 63.100 0.126 0.000 0.780 164 P CB 0.916 32.681 31.700 0.109 0.000 0.898 165 K N 0.257 120.746 120.400 0.148 0.000 2.044 165 K HA -0.073 4.248 4.320 0.001 0.000 0.210 165 K C 1.105 177.805 176.600 0.167 0.000 1.049 165 K CA 1.619 57.997 56.287 0.151 0.000 0.927 165 K CB -0.441 32.106 32.500 0.078 0.000 0.713 165 K HN 0.529 nan 8.250 nan 0.000 0.443 166 V N -5.997 113.961 119.914 0.074 0.000 3.181 166 V HA 0.777 4.898 4.120 0.001 0.000 0.308 166 V C 0.289 176.280 176.094 -0.171 0.000 1.214 166 V CA -0.345 61.909 62.300 -0.077 0.000 1.053 166 V CB 1.628 33.443 31.823 -0.014 0.000 1.069 166 V HN 0.370 nan 8.190 nan 0.000 0.441 167 G N 0.403 108.935 108.800 -0.446 0.000 2.192 167 G HA2 -0.117 3.843 3.960 0.001 0.000 0.193 167 G HA3 -0.117 3.843 3.960 0.001 0.000 0.193 167 G C -0.405 174.367 174.900 -0.214 0.000 0.999 167 G CA 0.227 45.034 45.100 -0.488 0.000 0.659 167 G HN 2.260 nan 8.290 nan 0.000 0.503 168 Y N 1.285 121.529 120.300 -0.093 0.000 2.487 168 Y HA 0.836 5.386 4.550 0.001 0.000 0.337 168 Y C 0.446 176.358 175.900 0.020 0.000 1.076 168 Y CA -1.085 57.004 58.100 -0.019 0.000 1.115 168 Y CB 1.159 39.637 38.460 0.031 0.000 1.235 168 Y HN 0.471 nan 8.280 nan 0.000 0.468 169 S N 0.645 116.453 115.700 0.181 0.000 2.693 169 S HA 0.438 4.909 4.470 0.001 0.000 0.276 169 S C -2.209 172.506 174.600 0.192 0.000 1.192 169 S CA -1.369 56.892 58.200 0.102 0.000 0.994 169 S CB 1.608 64.861 63.200 0.089 0.000 1.012 169 S HN 0.573 nan 8.310 nan 0.000 0.550 170 P HA -0.045 nan 4.420 nan 0.000 0.217 170 P C 0.925 178.329 177.300 0.174 0.000 1.150 170 P CA 1.182 64.359 63.100 0.128 0.000 0.832 170 P CB -0.013 31.699 31.700 0.021 0.000 0.787 171 E N -0.098 120.166 120.200 0.108 0.000 2.077 171 E HA -0.182 4.168 4.350 0.001 0.000 0.193 171 E C 1.953 178.598 176.600 0.075 0.000 0.989 171 E CA 1.190 57.632 56.400 0.069 0.000 0.800 171 E CB -0.677 29.050 29.700 0.046 0.000 0.746 171 E HN 0.390 nan 8.360 nan 0.000 0.452 172 E N -0.252 120.018 120.200 0.118 0.000 2.110 172 E HA -0.171 4.180 4.350 0.001 0.000 0.193 172 E C 1.721 178.375 176.600 0.090 0.000 0.988 172 E CA 0.807 57.266 56.400 0.098 0.000 0.804 172 E CB -0.181 29.600 29.700 0.136 0.000 0.745 172 E HN 0.210 nan 8.360 nan 0.000 0.458 173 F N 2.083 122.048 119.950 0.025 0.000 2.171 173 F HA -0.181 4.346 4.527 0.001 0.000 0.300 173 F C 2.227 177.974 175.800 -0.087 0.000 1.090 173 F CA 1.775 59.748 58.000 -0.044 0.000 1.293 173 F CB -0.078 38.970 39.000 0.081 0.000 1.013 173 F HN -0.056 nan 8.300 nan 0.000 0.486 174 E N 0.427 120.562 120.200 -0.110 0.000 2.070 174 E HA -0.318 4.032 4.350 0.001 0.000 0.197 174 E C 2.356 178.815 176.600 -0.234 0.000 1.004 174 E CA 1.793 58.061 56.400 -0.220 0.000 0.805 174 E CB -0.318 29.327 29.700 -0.092 0.000 0.744 174 E HN 0.484 nan 8.360 nan 0.000 0.451 175 K N 0.030 120.338 120.400 -0.153 0.000 2.025 175 K HA -0.163 4.158 4.320 0.001 0.000 0.207 175 K C 2.348 178.876 176.600 -0.121 0.000 1.049 175 K CA 1.104 57.332 56.287 -0.099 0.000 0.933 175 K CB -0.204 32.256 32.500 -0.067 0.000 0.714 175 K HN 0.167 nan 8.250 nan 0.000 0.438 176 L N 1.165 122.264 121.223 -0.206 0.000 1.989 176 L HA -0.177 4.164 4.340 0.001 0.000 0.211 176 L C 2.240 178.920 176.870 -0.317 0.000 1.071 176 L CA 2.272 56.968 54.840 -0.240 0.000 0.749 176 L CB -0.762 41.136 42.059 -0.269 0.000 0.890 176 L HN 0.243 nan 8.230 nan 0.000 0.431 177 A N -1.508 120.992 122.820 -0.533 0.000 1.908 177 A HA -0.309 4.011 4.320 0.001 0.000 0.218 177 A C 2.311 179.711 177.584 -0.306 0.000 1.181 177 A CA 1.974 53.683 52.037 -0.547 0.000 0.627 177 A CB -1.297 17.157 19.000 -0.909 0.000 0.818 177 A HN 0.674 nan 8.150 nan 0.000 0.445 178 Y N 1.152 121.257 120.300 -0.325 0.000 2.145 178 Y HA -0.235 4.316 4.550 0.001 0.000 0.286 178 Y C 1.918 177.712 175.900 -0.178 0.000 1.145 178 Y CA 2.146 60.115 58.100 -0.218 0.000 1.148 178 Y CB -0.248 38.104 38.460 -0.180 0.000 0.981 178 Y HN 0.356 nan 8.280 nan 0.000 0.507 179 D N 0.113 120.413 120.400 -0.166 0.000 2.117 179 D HA -0.179 4.462 4.640 0.001 0.000 0.197 179 D C 2.354 178.510 176.300 -0.239 0.000 0.987 179 D CA 1.567 55.444 54.000 -0.204 0.000 0.829 179 D CB -0.426 40.319 40.800 -0.092 0.000 0.961 179 D HN 0.401 nan 8.370 nan 0.000 0.460 180 L N 0.185 121.269 121.223 -0.231 0.000 2.005 180 L HA -0.118 4.223 4.340 0.001 0.000 0.207 180 L C 2.598 179.320 176.870 -0.246 0.000 1.072 180 L CA 0.741 55.449 54.840 -0.221 0.000 0.744 180 L CB -0.427 41.486 42.059 -0.243 0.000 0.895 180 L HN 0.031 nan 8.230 nan 0.000 0.433 181 L N -0.993 120.059 121.223 -0.285 0.000 2.083 181 L HA -0.194 4.147 4.340 0.001 0.000 0.209 181 L C 2.637 179.352 176.870 -0.258 0.000 1.083 181 L CA 0.944 55.626 54.840 -0.264 0.000 0.752 181 L CB -0.508 41.406 42.059 -0.240 0.000 0.899 181 L HN 0.195 nan 8.230 nan 0.000 0.433 182 S N -0.402 115.082 115.700 -0.361 0.000 2.447 182 S HA -0.070 4.401 4.470 0.001 0.000 0.233 182 S C 1.287 175.755 174.600 -0.221 0.000 1.006 182 S CA 0.852 58.833 58.200 -0.365 0.000 0.957 182 S CB -0.165 62.674 63.200 -0.602 0.000 0.773 182 S HN 0.445 nan 8.310 nan 0.000 0.507 183 N N -0.250 118.340 118.700 -0.183 0.000 2.338 183 N HA 0.255 4.996 4.740 0.001 0.000 0.251 183 N C 0.842 176.317 175.510 -0.059 0.000 1.199 183 N CA 0.609 53.591 53.050 -0.114 0.000 0.879 183 N CB 1.386 39.806 38.487 -0.112 0.000 1.159 183 N HN 0.468 nan 8.380 nan 0.000 0.514 184 G N 0.435 109.203 108.800 -0.053 0.000 2.617 184 G HA2 -0.195 3.766 3.960 0.001 0.000 0.197 184 G HA3 -0.195 3.766 3.960 0.001 0.000 0.197 184 G C 0.240 175.169 174.900 0.048 0.000 1.017 184 G CA -0.099 45.014 45.100 0.021 0.000 0.713 184 G HN 0.462 nan 8.290 nan 0.000 0.481 185 A N 0.969 123.748 122.820 -0.068 0.000 2.520 185 A HA 0.480 4.801 4.320 0.001 0.000 0.245 185 A C 1.114 178.490 177.584 -0.348 0.000 1.072 185 A CA 1.108 52.886 52.037 -0.431 0.000 0.761 185 A CB 0.196 18.834 19.000 -0.603 0.000 1.004 185 A HN 0.269 nan 8.150 nan 0.000 0.499 186 D N -0.064 120.100 120.400 -0.393 0.000 2.249 186 D HA 0.111 4.751 4.640 0.001 0.000 0.205 186 D C -0.002 176.195 176.300 -0.170 0.000 0.962 186 D CA 1.711 55.603 54.000 -0.180 0.000 0.860 186 D CB 0.050 40.833 40.800 -0.028 0.000 0.955 186 D HN 0.735 nan 8.370 nan 0.000 0.505 187 Y N -1.896 118.139 120.300 -0.441 0.000 2.609 187 Y HA 0.530 5.081 4.550 0.001 0.000 0.336 187 Y C -0.780 174.827 175.900 -0.488 0.000 1.129 187 Y CA -1.444 56.350 58.100 -0.511 0.000 1.040 187 Y CB 0.725 38.646 38.460 -0.899 0.000 1.310 187 Y HN -0.400 nan 8.280 nan 0.000 0.460 191 D N 1.101 121.559 120.400 0.097 0.000 2.400 191 D HA -0.016 4.625 4.640 0.001 0.000 0.238 191 D C 1.498 177.752 176.300 -0.078 0.000 1.157 191 D CA 0.057 54.078 54.000 0.034 0.000 0.889 191 D CB 1.015 41.854 40.800 0.065 0.000 1.199 191 D HN 0.391 nan 8.370 nan 0.000 0.436 192 E N 2.141 122.194 120.200 -0.245 0.000 2.333 192 E HA -0.224 4.127 4.350 0.001 0.000 0.198 192 E C 0.605 177.084 176.600 -0.201 0.000 1.007 192 E CA 0.976 57.129 56.400 -0.412 0.000 0.845 192 E CB -0.267 28.859 29.700 -0.958 0.000 0.766 192 E HN 0.488 nan 8.360 nan 0.000 0.507 193 N N 0.815 119.447 118.700 -0.114 0.000 2.236 193 N HA 0.015 4.755 4.740 0.001 0.000 0.196 193 N C 0.182 175.667 175.510 -0.040 0.000 1.114 193 N CA -0.346 52.667 53.050 -0.062 0.000 0.859 193 N CB -0.162 38.306 38.487 -0.032 0.000 0.982 193 N HN 0.080 nan 8.380 nan 0.000 0.493 194 L N 2.409 123.608 121.223 -0.040 0.000 2.283 194 L HA 0.348 4.689 4.340 0.001 0.000 0.287 194 L C 0.798 177.644 176.870 -0.039 0.000 1.073 194 L CA 0.123 54.934 54.840 -0.049 0.000 0.822 194 L CB 0.419 42.456 42.059 -0.037 0.000 1.186 194 L HN 0.304 nan 8.230 nan 0.000 0.436 195 T N -0.035 114.480 114.554 -0.066 0.000 2.090 195 T HA 0.275 4.625 4.350 0.001 0.000 0.179 195 T C 0.462 175.151 174.700 -0.020 0.000 0.687 195 T CA 0.227 62.309 62.100 -0.029 0.000 1.523 195 T CB 0.150 68.985 68.868 -0.055 0.000 3.135 195 T HN 0.328 nan 8.240 nan 0.000 0.403 196 S N 3.007 118.665 115.700 -0.070 0.000 2.327 196 S HA 0.447 4.917 4.470 0.001 0.000 0.203 196 S C -2.629 171.867 174.600 -0.174 0.000 1.326 196 S CA -1.287 56.868 58.200 -0.075 0.000 1.248 196 S CB -0.153 63.054 63.200 0.013 0.000 1.199 196 S HN 0.524 nan 8.310 nan 0.000 0.422 197 P HA 0.193 nan 4.420 nan 0.000 0.277 197 P C 1.528 178.519 177.300 -0.515 0.000 1.271 197 P CA -0.709 62.098 63.100 -0.488 0.000 0.795 197 P CB 0.290 31.410 31.700 -0.966 0.000 1.101 198 W N 1.452 122.571 121.300 -0.301 0.000 2.342 198 W HA -0.227 4.434 4.660 0.001 0.000 0.297 198 W C 1.461 177.904 176.519 -0.126 0.000 1.213 198 W CA 1.207 58.469 57.345 -0.138 0.000 1.251 198 W CB -1.974 27.479 29.460 -0.012 0.000 1.136 198 W HN 0.382 nan 8.180 nan 0.000 0.526 199 Y N 0.177 119.871 120.300 -1.009 0.000 2.546 199 Y HA 0.328 4.878 4.550 0.001 0.000 0.287 199 Y C 0.610 176.220 175.900 -0.482 0.000 1.158 199 Y CA 0.543 58.047 58.100 -0.993 0.000 1.307 199 Y CB -0.924 36.599 38.460 -1.562 0.000 1.036 199 Y HN -0.117 nan 8.280 nan 0.000 0.532 200 N N 1.260 119.577 118.700 -0.638 0.000 2.839 200 N HA 0.096 4.836 4.740 0.001 0.000 0.230 200 N C -1.511 173.812 175.510 -0.312 0.000 1.388 200 N CA -0.266 52.547 53.050 -0.395 0.000 0.747 200 N CB 0.699 38.929 38.487 -0.429 0.000 1.411 200 N HN 0.068 nan 8.380 nan 0.000 0.556 201 R N 1.720 122.118 120.500 -0.171 0.000 2.491 201 R HA 0.107 4.448 4.340 0.001 0.000 0.283 201 R C 1.333 177.635 176.300 0.004 0.000 1.072 201 R CA -0.350 55.712 56.100 -0.063 0.000 1.048 201 R CB 0.179 30.474 30.300 -0.009 0.000 0.983 201 R HN 0.480 nan 8.270 nan 0.000 0.450 202 F N 3.356 123.272 119.950 -0.057 0.000 2.065 202 F HA -0.338 4.190 4.527 0.001 0.000 0.298 202 F C 2.468 178.310 175.800 0.071 0.000 1.112 202 F CA 2.845 60.861 58.000 0.026 0.000 1.212 202 F CB -0.034 38.978 39.000 0.020 0.000 0.975 202 F HN 0.738 nan 8.300 nan 0.000 0.476 203 E N 0.182 120.551 120.200 0.283 0.000 2.153 203 E HA -0.221 4.129 4.350 0.001 0.000 0.194 203 E C 1.884 178.494 176.600 0.017 0.000 0.988 203 E CA 1.548 58.051 56.400 0.171 0.000 0.811 203 E CB -0.972 28.828 29.700 0.166 0.000 0.746 203 E HN 0.741 nan 8.360 nan 0.000 0.466 204 E N -0.282 119.912 120.200 -0.009 0.000 2.051 204 E HA -0.193 4.157 4.350 0.001 0.000 0.192 204 E C 2.456 178.986 176.600 -0.117 0.000 0.991 204 E CA 1.433 57.805 56.400 -0.047 0.000 0.799 204 E CB -0.159 29.521 29.700 -0.033 0.000 0.748 204 E HN 0.657 nan 8.360 nan 0.000 0.449 205 R N 0.592 120.971 120.500 -0.201 0.000 2.193 205 R HA 0.115 4.456 4.340 0.001 0.000 0.213 205 R C 2.118 178.072 176.300 -0.578 0.000 1.055 205 R CA 0.948 56.839 56.100 -0.349 0.000 0.995 205 R CB -0.139 29.856 30.300 -0.507 0.000 0.893 205 R HN 0.042 nan 8.270 nan 0.000 0.459 206 A N 2.123 124.691 122.820 -0.421 0.000 1.858 206 A HA -0.138 4.183 4.320 0.001 0.000 0.216 206 A C 1.974 179.457 177.584 -0.169 0.000 1.190 206 A CA 1.343 53.217 52.037 -0.272 0.000 0.617 206 A CB -0.335 18.652 19.000 -0.021 0.000 0.827 206 A HN 0.360 nan 8.150 nan 0.000 0.443 207 E N -0.172 119.966 120.200 -0.103 0.000 2.118 207 E HA -0.178 4.172 4.350 0.001 0.000 0.195 207 E C 1.999 178.543 176.600 -0.094 0.000 0.992 207 E CA 1.231 57.593 56.400 -0.063 0.000 0.804 207 E CB -0.362 29.317 29.700 -0.035 0.000 0.741 207 E HN 0.726 nan 8.360 nan 0.000 0.458 208 I N 0.570 121.061 120.570 -0.133 0.000 2.252 208 I HA -0.259 3.911 4.170 0.001 0.000 0.245 208 I C 2.439 178.455 176.117 -0.168 0.000 1.102 208 I CA 0.821 62.048 61.300 -0.122 0.000 1.385 208 I CB -0.138 37.818 38.000 -0.074 0.000 1.064 208 I HN 0.102 nan 8.210 nan 0.000 0.414 209 M N 0.122 119.545 119.600 -0.294 0.000 2.254 209 M HA -0.074 4.407 4.480 0.001 0.000 0.265 209 M C 2.562 178.789 176.300 -0.122 0.000 1.066 209 M CA 1.542 56.654 55.300 -0.312 0.000 1.123 209 M CB -1.322 30.850 32.600 -0.715 0.000 1.388 209 M HN 0.257 nan 8.290 nan 0.000 0.425 210 A N 1.223 123.999 122.820 -0.073 0.000 1.908 210 A HA -0.230 4.091 4.320 0.001 0.000 0.218 210 A C 2.204 179.781 177.584 -0.011 0.000 1.181 210 A CA 2.289 54.326 52.037 0.000 0.000 0.627 210 A CB -0.606 18.404 19.000 0.017 0.000 0.818 210 A HN 0.632 nan 8.150 nan 0.000 0.445 211 K N -1.110 119.268 120.400 -0.037 0.000 2.186 211 K HA 0.041 4.361 4.320 0.001 0.000 0.202 211 K C 1.531 178.115 176.600 -0.028 0.000 1.052 211 K CA 1.150 57.418 56.287 -0.031 0.000 0.965 211 K CB -0.230 32.244 32.500 -0.043 0.000 0.746 211 K HN 0.245 nan 8.250 nan 0.000 0.457 212 I N 2.084 122.627 120.570 -0.046 0.000 2.252 212 I HA -0.164 4.007 4.170 0.001 0.000 0.245 212 I C 2.382 178.501 176.117 0.005 0.000 1.102 212 I CA 1.029 62.320 61.300 -0.016 0.000 1.385 212 I CB -0.831 37.126 38.000 -0.070 0.000 1.064 212 I HN 0.211 nan 8.210 nan 0.000 0.414 213 I N 0.792 121.354 120.570 -0.014 0.000 2.163 213 I HA -0.322 3.849 4.170 0.001 0.000 0.243 213 I C 2.171 178.300 176.117 0.020 0.000 1.085 213 I CA 1.486 62.791 61.300 0.007 0.000 1.347 213 I CB -0.420 37.602 38.000 0.037 0.000 1.044 213 I HN 0.187 nan 8.210 nan 0.000 0.408 214 D N 0.747 121.160 120.400 0.021 0.000 2.123 214 D HA -0.213 4.427 4.640 0.001 0.000 0.196 214 D C 2.076 178.392 176.300 0.027 0.000 0.992 214 D CA 1.223 55.237 54.000 0.023 0.000 0.833 214 D CB -0.215 40.596 40.800 0.018 0.000 0.954 214 D HN 0.269 nan 8.370 nan 0.000 0.455 215 K N 0.634 121.055 120.400 0.035 0.000 2.002 215 K HA -0.104 4.216 4.320 0.001 0.000 0.209 215 K C 2.021 178.670 176.600 0.082 0.000 1.048 215 K CA 0.933 57.257 56.287 0.062 0.000 0.930 215 K CB -0.043 32.504 32.500 0.079 0.000 0.714 215 K HN -0.066 nan 8.250 nan 0.000 0.438 216 V N 1.885 121.841 119.914 0.070 0.000 2.343 216 V HA -0.209 3.911 4.120 0.001 0.000 0.247 216 V C 2.038 178.125 176.094 -0.012 0.000 1.051 216 V CA 1.898 64.197 62.300 -0.002 0.000 1.036 216 V CB -0.459 31.314 31.823 -0.082 0.000 0.654 216 V HN 0.391 nan 8.190 nan 0.000 0.451 217 E N 0.146 120.347 120.200 0.002 0.000 2.153 217 E HA -0.248 4.103 4.350 0.001 0.000 0.194 217 E C 2.053 178.660 176.600 0.012 0.000 0.988 217 E CA 1.397 57.801 56.400 0.007 0.000 0.811 217 E CB -0.219 29.493 29.700 0.019 0.000 0.746 217 E HN 0.596 nan 8.360 nan 0.000 0.466 218 N N 1.084 119.795 118.700 0.019 0.000 2.080 218 N HA -0.150 4.591 4.740 0.001 0.000 0.189 218 N C 1.445 176.966 175.510 0.017 0.000 1.036 218 N CA 1.219 54.281 53.050 0.020 0.000 0.846 218 N CB 0.135 38.636 38.487 0.024 0.000 1.015 218 N HN 0.132 nan 8.380 nan 0.000 0.423 219 E N -1.529 118.684 120.200 0.022 0.000 2.274 219 E HA -0.068 4.283 4.350 0.001 0.000 0.194 219 E C 1.172 177.771 176.600 -0.002 0.000 0.996 219 E CA 1.405 57.816 56.400 0.018 0.000 0.840 219 E CB 0.084 29.808 29.700 0.041 0.000 0.772 219 E HN 0.591 nan 8.360 nan 0.000 0.491 220 T N -4.464 110.084 114.554 -0.012 0.000 2.959 220 T HA 0.271 4.622 4.350 0.001 0.000 0.254 220 T C 1.593 176.288 174.700 -0.008 0.000 1.003 220 T CA 0.401 62.489 62.100 -0.020 0.000 0.950 220 T CB 0.807 69.649 68.868 -0.043 0.000 1.090 220 T HN 0.186 nan 8.240 nan 0.000 0.503 221 G N 1.472 110.272 108.800 -0.000 0.000 2.166 221 G HA2 -0.238 3.722 3.960 0.001 0.000 0.260 221 G HA3 -0.238 3.722 3.960 0.001 0.000 0.260 221 G C -0.245 174.661 174.900 0.009 0.000 0.986 221 G CA 0.448 45.552 45.100 0.007 0.000 0.683 221 G HN 0.692 nan 8.290 nan 0.000 0.527 222 E N 0.161 120.362 120.200 0.002 0.000 2.202 222 E HA 0.476 4.827 4.350 0.001 0.000 0.272 222 E C -0.077 176.529 176.600 0.010 0.000 0.951 222 E CA -1.009 55.394 56.400 0.005 0.000 0.813 222 E CB 1.015 30.710 29.700 -0.007 0.000 1.151 222 E HN -0.022 nan 8.360 nan 0.000 0.398 223 K N 2.563 122.978 120.400 0.025 0.000 2.249 223 K HA 0.327 4.647 4.320 0.001 0.000 0.280 223 K C -0.175 176.443 176.600 0.031 0.000 1.033 223 K CA -0.295 56.015 56.287 0.038 0.000 0.946 223 K CB 0.711 33.247 32.500 0.060 0.000 1.005 223 K HN 0.304 nan 8.250 nan 0.000 0.469 224 K N 0.730 121.151 120.400 0.035 0.000 2.444 224 K HA 0.553 4.874 4.320 0.001 0.000 0.252 224 K C -0.087 176.556 176.600 0.072 0.000 0.993 224 K CA -0.705 55.596 56.287 0.023 0.000 0.847 224 K CB 2.252 34.741 32.500 -0.018 0.000 1.340 224 K HN 0.641 nan 8.250 nan 0.000 0.446 225 T N -0.739 113.858 114.554 0.071 0.000 2.731 225 T HA 0.617 4.968 4.350 0.001 0.000 0.300 225 T C -2.115 172.674 174.700 0.149 0.000 1.283 225 T CA -0.577 61.610 62.100 0.146 0.000 1.005 225 T CB 0.910 69.906 68.868 0.212 0.000 1.420 225 T HN 0.547 nan 8.240 nan 0.000 0.503 226 W N 2.817 124.112 121.300 -0.009 0.000 2.968 226 W HA 0.633 5.293 4.660 0.001 0.000 0.337 226 W C -2.250 174.343 176.519 0.123 0.000 1.060 226 W CA -1.855 55.470 57.345 -0.032 0.000 1.240 226 W CB 0.779 30.254 29.460 0.026 0.000 1.370 226 W HN 0.409 nan 8.180 nan 0.000 0.459 227 F N 5.874 125.589 119.950 -0.391 0.000 2.464 227 F HA 0.511 5.038 4.527 0.001 0.000 0.353 227 F C 0.889 176.191 175.800 -0.829 0.000 1.191 227 F CA -1.339 56.330 58.000 -0.552 0.000 1.147 227 F CB -0.485 38.191 39.000 -0.540 0.000 1.294 227 F HN 0.452 nan 8.300 nan 0.000 0.583 228 A N 3.208 125.471 122.820 -0.927 0.000 2.276 228 A HA 0.329 4.649 4.320 0.001 0.000 0.300 228 A C 0.343 177.764 177.584 -0.272 0.000 1.235 228 A CA -0.639 50.679 52.037 -1.198 0.000 0.867 228 A CB 0.007 17.902 19.000 -1.842 0.000 1.137 228 A HN 0.548 nan 8.150 nan 0.000 0.527 229 N N 2.686 121.352 118.700 -0.056 0.000 2.402 229 N HA 0.132 4.873 4.740 0.001 0.000 0.259 229 N C 0.766 176.347 175.510 0.118 0.000 1.167 229 N CA -0.337 52.738 53.050 0.042 0.000 0.949 229 N CB 0.185 38.683 38.487 0.018 0.000 1.212 229 N HN 0.629 nan 8.380 nan 0.000 0.493 230 I N -0.324 120.230 120.570 -0.026 0.000 3.793 230 I HA 0.193 4.364 4.170 0.001 0.000 0.315 230 I C 0.005 176.019 176.117 -0.171 0.000 1.275 230 I CA -0.221 60.946 61.300 -0.222 0.000 1.214 230 I CB -0.383 37.478 38.000 -0.232 0.000 1.018 230 I HN 0.099 nan 8.210 nan 0.000 0.439 231 T N 3.561 118.055 114.554 -0.101 0.000 2.750 231 T HA 0.386 4.737 4.350 0.001 0.000 0.277 231 T C 0.191 174.839 174.700 -0.087 0.000 0.996 231 T CA 0.778 62.826 62.100 -0.087 0.000 1.195 231 T CB 0.108 68.929 68.868 -0.077 0.000 0.963 231 T HN 0.697 nan 8.240 nan 0.000 0.516 232 A N 3.723 126.497 122.820 -0.077 0.000 2.457 232 A HA 0.534 4.855 4.320 0.001 0.000 0.305 232 A C -1.174 176.383 177.584 -0.045 0.000 1.110 232 A CA -1.000 50.997 52.037 -0.067 0.000 0.616 232 A CB 0.609 19.552 19.000 -0.093 0.000 1.371 232 A HN 0.603 nan 8.150 nan 0.000 0.525 233 D N 0.068 120.447 120.400 -0.035 0.000 2.368 233 D HA 0.211 4.852 4.640 0.001 0.000 0.240 233 D C 1.471 177.762 176.300 -0.014 0.000 1.169 233 D CA -0.127 53.862 54.000 -0.019 0.000 0.906 233 D CB 0.978 41.769 40.800 -0.014 0.000 1.187 233 D HN 0.512 nan 8.370 nan 0.000 0.435 234 L N 2.215 123.440 121.223 0.004 0.000 2.010 234 L HA -0.257 4.083 4.340 0.001 0.000 0.219 234 L C 2.172 179.063 176.870 0.034 0.000 1.077 234 L CA 1.812 56.670 54.840 0.030 0.000 0.773 234 L CB -0.577 41.500 42.059 0.030 0.000 0.892 234 L HN 0.480 nan 8.230 nan 0.000 0.436 235 L N -1.208 120.025 121.223 0.017 0.000 2.093 235 L HA -0.188 4.152 4.340 0.001 0.000 0.208 235 L C 2.483 179.351 176.870 -0.005 0.000 1.085 235 L CA 1.171 56.022 54.840 0.018 0.000 0.755 235 L CB -0.629 41.436 42.059 0.009 0.000 0.904 235 L HN 0.275 nan 8.230 nan 0.000 0.435 236 E N -0.083 120.099 120.200 -0.030 0.000 2.106 236 E HA -0.178 4.172 4.350 0.001 0.000 0.192 236 E C 2.274 178.804 176.600 -0.116 0.000 0.984 236 E CA 1.231 57.587 56.400 -0.072 0.000 0.806 236 E CB -0.156 29.497 29.700 -0.080 0.000 0.750 236 E HN 0.369 nan 8.360 nan 0.000 0.458 237 M N 0.040 119.587 119.600 -0.087 0.000 2.117 237 M HA -0.169 4.311 4.480 0.001 0.000 0.262 237 M C 2.001 178.257 176.300 -0.073 0.000 1.065 237 M CA 1.390 56.626 55.300 -0.107 0.000 1.114 237 M CB -0.263 32.304 32.600 -0.055 0.000 1.361 237 M HN 0.118 nan 8.290 nan 0.000 0.408 238 E N 0.216 120.417 120.200 0.001 0.000 2.058 238 E HA -0.248 4.103 4.350 0.001 0.000 0.194 238 E C 2.044 178.655 176.600 0.018 0.000 0.997 238 E CA 1.359 57.791 56.400 0.052 0.000 0.801 238 E CB -0.154 29.611 29.700 0.109 0.000 0.746 238 E HN 0.593 nan 8.360 nan 0.000 0.450 239 Q N 0.164 119.948 119.800 -0.027 0.000 2.124 239 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 239 Q C 2.204 178.140 176.000 -0.108 0.000 0.977 239 Q CA 1.129 56.904 55.803 -0.046 0.000 0.850 239 Q CB -0.098 28.610 28.738 -0.051 0.000 0.901 239 Q HN 0.151 nan 8.270 nan 0.000 0.429 240 R N 0.269 120.629 120.500 -0.233 0.000 2.090 240 R HA -0.039 4.301 4.340 0.001 0.000 0.228 240 R C 2.275 178.452 176.300 -0.206 0.000 1.110 240 R CA 0.815 56.639 56.100 -0.461 0.000 0.973 240 R CB -0.188 29.500 30.300 -1.020 0.000 0.869 240 R HN 0.196 nan 8.270 nan 0.000 0.440 241 L N 0.526 121.669 121.223 -0.134 0.000 2.079 241 L HA -0.210 4.130 4.340 0.001 0.000 0.210 241 L C 2.541 179.248 176.870 -0.270 0.000 1.081 241 L CA 1.452 56.247 54.840 -0.074 0.000 0.752 241 L CB -0.376 41.735 42.059 0.088 0.000 0.896 241 L HN 0.301 nan 8.230 nan 0.000 0.433 242 E N -0.064 120.001 120.200 -0.225 0.000 2.106 242 E HA -0.181 4.170 4.350 0.001 0.000 0.192 242 E C 2.236 178.719 176.600 -0.195 0.000 0.984 242 E CA 1.138 57.340 56.400 -0.330 0.000 0.806 242 E CB 0.173 29.818 29.700 -0.091 0.000 0.750 242 E HN 0.254 nan 8.360 nan 0.000 0.458 243 V N 1.415 121.304 119.914 -0.042 0.000 2.287 243 V HA -0.295 3.825 4.120 0.001 0.000 0.248 243 V C 2.446 178.587 176.094 0.079 0.000 1.053 243 V CA 1.643 63.990 62.300 0.077 0.000 1.027 243 V CB -0.480 31.497 31.823 0.258 0.000 0.646 243 V HN 0.349 nan 8.190 nan 0.000 0.447 244 L N 0.044 121.324 121.223 0.095 0.000 2.017 244 L HA -0.180 4.161 4.340 0.001 0.000 0.208 244 L C 2.750 179.601 176.870 -0.031 0.000 1.073 244 L CA 1.712 56.599 54.840 0.079 0.000 0.745 244 L CB -0.902 41.202 42.059 0.076 0.000 0.894 244 L HN 0.367 nan 8.230 nan 0.000 0.432 245 A N -0.217 122.479 122.820 -0.207 0.000 1.902 245 A HA -0.224 4.097 4.320 0.001 0.000 0.217 245 A C 1.912 179.430 177.584 -0.110 0.000 1.181 245 A CA 1.955 53.844 52.037 -0.246 0.000 0.623 245 A CB -0.512 18.058 19.000 -0.717 0.000 0.818 245 A HN 0.352 nan 8.150 nan 0.000 0.443 246 D N -0.304 120.036 120.400 -0.101 0.000 2.219 246 D HA -0.044 4.596 4.640 0.001 0.000 0.205 246 D C 1.550 177.854 176.300 0.007 0.000 0.970 246 D CA 0.812 54.794 54.000 -0.030 0.000 0.851 246 D CB -0.120 40.668 40.800 -0.019 0.000 0.943 246 D HN 0.454 nan 8.370 nan 0.000 0.488 247 L N -0.908 120.329 121.223 0.022 0.000 2.592 247 L HA 0.206 4.547 4.340 0.001 0.000 0.227 247 L C 1.381 178.281 176.870 0.050 0.000 1.127 247 L CA 0.248 55.114 54.840 0.043 0.000 0.884 247 L CB 0.211 42.311 42.059 0.067 0.000 1.065 247 L HN 0.076 nan 8.230 nan 0.000 0.457 248 G N 0.610 109.436 108.800 0.043 0.000 2.143 248 G HA2 -0.277 3.684 3.960 0.001 0.000 0.248 248 G HA3 -0.277 3.684 3.960 0.001 0.000 0.248 248 G C 0.308 175.251 174.900 0.072 0.000 0.991 248 G CA 0.002 45.134 45.100 0.053 0.000 0.689 248 G HN 0.219 nan 8.290 nan 0.000 0.522 249 L N -1.234 120.041 121.223 0.087 0.000 2.468 249 L HA 0.423 4.763 4.340 0.001 0.000 0.253 249 L C 1.758 178.676 176.870 0.080 0.000 1.237 249 L CA 0.308 55.222 54.840 0.124 0.000 0.823 249 L CB 0.481 42.657 42.059 0.194 0.000 1.124 249 L HN 0.138 nan 8.230 nan 0.000 0.504 250 K N -1.330 119.122 120.400 0.087 0.000 2.464 250 K HA 0.210 4.530 4.320 0.001 0.000 0.206 250 K C -0.499 175.964 176.600 -0.228 0.000 1.186 250 K CA -0.106 56.160 56.287 -0.034 0.000 0.990 250 K CB 0.699 33.209 32.500 0.016 0.000 1.003 250 K HN 0.440 nan 8.250 nan 0.000 0.562 251 H N -0.396 118.628 119.070 -0.077 0.000 2.637 251 H HA 0.569 5.125 4.556 0.001 0.000 0.363 251 H C -1.345 173.888 175.328 -0.158 0.000 1.131 251 H CA -0.670 55.291 56.048 -0.145 0.000 1.183 251 H CB 2.088 31.816 29.762 -0.057 0.000 1.637 251 H HN 0.118 nan 8.280 nan 0.000 0.531 252 A N 3.252 126.036 122.820 -0.061 0.000 2.343 252 A HA 0.518 4.838 4.320 0.001 0.000 0.316 252 A C -0.745 176.788 177.584 -0.084 0.000 1.104 252 A CA -0.792 51.199 52.037 -0.077 0.000 0.768 252 A CB 0.950 19.920 19.000 -0.050 0.000 1.213 252 A HN 0.725 nan 8.150 nan 0.000 0.456 253 M N 3.484 123.032 119.600 -0.087 0.000 2.300 253 M HA 0.673 5.154 4.480 0.001 0.000 0.348 253 M C -1.807 174.459 176.300 -0.057 0.000 1.151 253 M CA -0.398 54.876 55.300 -0.043 0.000 1.046 253 M CB 1.178 33.780 32.600 0.003 0.000 1.647 253 M HN 0.394 nan 8.290 nan 0.000 0.451 254 V N 3.668 123.536 119.914 -0.077 0.000 2.638 254 V HA 0.301 4.422 4.120 0.001 0.000 0.306 254 V C -1.032 174.991 176.094 -0.118 0.000 1.052 254 V CA -0.909 61.330 62.300 -0.101 0.000 0.885 254 V CB 2.013 33.764 31.823 -0.119 0.000 0.999 254 V HN 0.755 nan 8.190 nan 0.000 0.424 255 D N 3.229 123.567 120.400 -0.103 0.000 2.455 255 D HA 0.113 4.753 4.640 0.001 0.000 0.234 255 D C 1.270 177.480 176.300 -0.149 0.000 1.224 255 D CA 0.101 54.043 54.000 -0.096 0.000 0.999 255 D CB 1.395 42.147 40.800 -0.080 0.000 1.072 255 D HN 0.493 nan 8.370 nan 0.000 0.514 256 V N 0.651 120.410 119.914 -0.259 0.000 2.427 256 V HA -0.203 3.918 4.120 0.001 0.000 0.248 256 V C 1.946 177.856 176.094 -0.306 0.000 1.051 256 V CA 0.876 62.954 62.300 -0.370 0.000 1.048 256 V CB -0.690 30.678 31.823 -0.758 0.000 0.666 256 V HN 0.278 nan 8.190 nan 0.000 0.456 257 V N 0.533 120.317 119.914 -0.217 0.000 2.343 257 V HA -0.194 3.926 4.120 0.001 0.000 0.247 257 V C 2.563 178.623 176.094 -0.057 0.000 1.051 257 V CA 2.539 64.802 62.300 -0.062 0.000 1.036 257 V CB -0.556 31.324 31.823 0.095 0.000 0.654 257 V HN 0.466 nan 8.190 nan 0.000 0.451 258 I N -0.182 120.361 120.570 -0.045 0.000 2.252 258 I HA -0.210 3.960 4.170 0.001 0.000 0.245 258 I C 2.551 178.636 176.117 -0.053 0.000 1.102 258 I CA 1.683 62.966 61.300 -0.028 0.000 1.385 258 I CB -0.605 37.382 38.000 -0.021 0.000 1.064 258 I HN 0.318 nan 8.210 nan 0.000 0.414 259 T N 0.302 114.805 114.554 -0.084 0.000 2.684 259 T HA 0.025 4.375 4.350 0.001 0.000 0.267 259 T C 0.916 175.572 174.700 -0.073 0.000 1.036 259 T CA 1.310 63.367 62.100 -0.072 0.000 1.148 259 T CB -0.472 68.347 68.868 -0.081 0.000 0.863 259 T HN 0.674 nan 8.240 nan 0.000 0.436 260 G N -0.826 107.881 108.800 -0.155 0.000 2.663 260 G HA2 -0.129 3.831 3.960 0.001 0.000 0.686 260 G HA3 -0.129 3.831 3.960 0.001 0.000 0.686 260 G C 0.066 174.875 174.900 -0.151 0.000 1.288 260 G CA -0.309 44.673 45.100 -0.196 0.000 0.836 260 G HN 0.368 nan 8.290 nan 0.000 0.584 261 W N 0.517 121.877 121.300 0.101 0.000 2.519 261 W HA 0.207 4.868 4.660 0.001 0.000 0.266 261 W C 2.464 179.034 176.519 0.085 0.000 1.253 261 W CA 0.971 58.374 57.345 0.098 0.000 1.274 261 W CB 0.013 29.512 29.460 0.064 0.000 1.114 261 W HN 0.904 nan 8.180 nan 0.000 0.596 262 G N 0.184 109.132 108.800 0.248 0.000 2.422 262 G HA2 -0.050 3.911 3.960 0.001 0.000 0.218 262 G HA3 -0.050 3.911 3.960 0.001 0.000 0.218 262 G C 1.499 176.479 174.900 0.133 0.000 1.140 262 G CA 1.110 46.309 45.100 0.165 0.000 0.775 262 G HN 0.279 nan 8.290 nan 0.000 0.545 263 A N -0.764 122.131 122.820 0.126 0.000 2.382 263 A HA 0.505 4.825 4.320 0.001 0.000 0.228 263 A C 1.899 179.588 177.584 0.176 0.000 1.217 263 A CA 0.045 52.166 52.037 0.140 0.000 0.923 263 A CB 0.047 19.113 19.000 0.109 0.000 0.979 263 A HN 0.237 nan 8.150 nan 0.000 0.515 264 L N 0.412 121.727 121.223 0.153 0.000 2.046 264 L HA -0.047 4.293 4.340 0.001 0.000 0.208 264 L C 2.331 179.294 176.870 0.156 0.000 1.077 264 L CA 2.096 57.015 54.840 0.132 0.000 0.747 264 L CB -0.581 41.560 42.059 0.138 0.000 0.896 264 L HN 0.488 nan 8.230 nan 0.000 0.432 265 R N -2.028 118.592 120.500 0.200 0.000 2.096 265 R HA -0.251 4.089 4.340 0.001 0.000 0.235 265 R C 2.393 178.781 176.300 0.147 0.000 1.127 265 R CA 1.821 58.028 56.100 0.178 0.000 0.968 265 R CB -0.496 29.912 30.300 0.179 0.000 0.861 265 R HN 0.484 nan 8.270 nan 0.000 0.440 266 Y N 0.929 121.259 120.300 0.050 0.000 2.200 266 Y HA -0.179 4.372 4.550 0.001 0.000 0.290 266 Y C 1.932 177.841 175.900 0.015 0.000 1.137 266 Y CA 1.309 59.423 58.100 0.023 0.000 1.163 266 Y CB -0.128 38.343 38.460 0.018 0.000 0.988 266 Y HN -0.018 nan 8.280 nan 0.000 0.518 267 I N 0.946 121.483 120.570 -0.054 0.000 2.208 267 I HA -0.292 3.879 4.170 0.001 0.000 0.245 267 I C 2.638 178.674 176.117 -0.134 0.000 1.097 267 I CA 1.597 62.812 61.300 -0.142 0.000 1.363 267 I CB -1.226 36.764 38.000 -0.017 0.000 1.051 267 I HN 0.320 nan 8.210 nan 0.000 0.413 268 R N 1.247 121.716 120.500 -0.052 0.000 2.075 268 R HA -0.181 4.159 4.340 0.001 0.000 0.232 268 R C 1.610 177.878 176.300 -0.053 0.000 1.126 268 R CA 1.730 57.816 56.100 -0.024 0.000 0.963 268 R CB -0.309 30.015 30.300 0.039 0.000 0.858 268 R HN 0.310 nan 8.270 nan 0.000 0.435 269 D N 0.873 121.221 120.400 -0.088 0.000 2.144 269 D HA -0.146 4.494 4.640 0.001 0.000 0.200 269 D C 1.901 178.078 176.300 -0.206 0.000 0.978 269 D CA 0.647 54.581 54.000 -0.110 0.000 0.833 269 D CB -0.199 40.554 40.800 -0.078 0.000 0.961 269 D HN 0.134 nan 8.370 nan 0.000 0.470 270 L N 1.181 122.199 121.223 -0.342 0.000 1.994 270 L HA -0.089 4.252 4.340 0.001 0.000 0.208 270 L C 2.241 178.960 176.870 -0.252 0.000 1.071 270 L CA 1.769 56.361 54.840 -0.414 0.000 0.745 270 L CB -1.028 40.726 42.059 -0.508 0.000 0.892 270 L HN -0.021 nan 8.230 nan 0.000 0.431 271 A N -0.632 122.138 122.820 -0.083 0.000 1.892 271 A HA -0.238 4.083 4.320 0.001 0.000 0.218 271 A C 2.445 180.069 177.584 0.067 0.000 1.188 271 A CA 2.368 54.438 52.037 0.055 0.000 0.631 271 A CB -1.292 17.719 19.000 0.018 0.000 0.822 271 A HN 0.574 nan 8.150 nan 0.000 0.447 272 A N -0.231 122.598 122.820 0.016 0.000 1.883 272 A HA -0.206 4.115 4.320 0.001 0.000 0.217 272 A C 1.771 179.359 177.584 0.007 0.000 1.186 272 A CA 1.993 54.059 52.037 0.048 0.000 0.624 272 A CB -0.689 18.317 19.000 0.010 0.000 0.822 272 A HN 0.461 nan 8.150 nan 0.000 0.444 273 D N -1.518 118.822 120.400 -0.099 0.000 2.218 273 D HA -0.120 4.521 4.640 0.001 0.000 0.204 273 D C 1.132 177.381 176.300 -0.084 0.000 0.976 273 D CA 1.097 55.009 54.000 -0.146 0.000 0.853 273 D CB -0.292 40.343 40.800 -0.275 0.000 0.939 273 D HN 0.579 nan 8.370 nan 0.000 0.481 274 Y N -0.068 120.239 120.300 0.012 0.000 2.490 274 Y HA 0.259 4.810 4.550 0.001 0.000 0.281 274 Y C 1.742 177.678 175.900 0.060 0.000 1.174 274 Y CA 0.134 58.249 58.100 0.025 0.000 1.295 274 Y CB -0.109 38.357 38.460 0.010 0.000 1.062 274 Y HN -0.029 nan 8.280 nan 0.000 0.522 275 G N 0.999 109.934 108.800 0.226 0.000 2.246 275 G HA2 -0.283 3.678 3.960 0.001 0.000 0.273 275 G HA3 -0.283 3.678 3.960 0.001 0.000 0.273 275 G C -0.293 174.790 174.900 0.306 0.000 1.055 275 G CA 0.042 45.316 45.100 0.291 0.000 0.851 275 G HN 0.286 nan 8.290 nan 0.000 0.500 276 L N 0.160 121.500 121.223 0.196 0.000 2.295 276 L HA 0.727 5.067 4.340 0.001 0.000 0.285 276 L C 0.948 177.667 176.870 -0.252 0.000 1.035 276 L CA -0.628 54.177 54.840 -0.059 0.000 0.806 276 L CB 1.759 43.815 42.059 -0.005 0.000 1.214 276 L HN 0.338 nan 8.230 nan 0.000 0.426 277 A N 4.820 127.134 122.820 -0.844 0.000 2.425 277 A HA 0.575 4.895 4.320 0.001 0.000 0.249 277 A C -0.288 177.043 177.584 -0.422 0.000 1.084 277 A CA -0.157 51.350 52.037 -0.885 0.000 0.781 277 A CB 0.051 18.185 19.000 -1.443 0.000 1.019 277 A HN 0.658 nan 8.150 nan 0.000 0.490 278 I N 1.820 122.265 120.570 -0.208 0.000 2.339 278 I HA 0.199 4.370 4.170 0.001 0.000 0.290 278 I C -0.190 175.841 176.117 -0.144 0.000 0.994 278 I CA -0.332 60.888 61.300 -0.133 0.000 1.191 278 I CB 1.341 39.288 38.000 -0.087 0.000 1.343 278 I HN 0.802 nan 8.210 nan 0.000 0.458 279 H N 4.928 123.823 119.070 -0.292 0.000 2.552 279 H HA 0.536 5.092 4.556 0.001 0.000 0.311 279 H C 0.073 175.260 175.328 -0.235 0.000 1.071 279 H CA -0.362 55.454 56.048 -0.387 0.000 1.307 279 H CB 1.264 30.584 29.762 -0.736 0.000 1.416 279 H HN 0.679 nan 8.280 nan 0.000 0.464 280 G N 4.703 113.143 108.800 -0.600 0.000 2.347 280 G HA2 0.134 4.095 3.960 0.001 0.000 0.314 280 G HA3 0.134 4.095 3.960 0.001 0.000 0.314 280 G C -1.025 173.577 174.900 -0.496 0.000 1.126 280 G CA -0.440 44.377 45.100 -0.472 0.000 0.929 280 G HN 0.739 nan 8.290 nan 0.000 0.441 281 H N 2.544 121.351 119.070 -0.438 0.000 2.473 281 H HA 0.248 4.805 4.556 0.001 0.000 0.327 281 H C 0.843 175.935 175.328 -0.393 0.000 1.105 281 H CA -0.512 55.244 56.048 -0.486 0.000 1.280 281 H CB 1.432 30.998 29.762 -0.327 0.000 1.450 281 H HN 0.649 nan 8.280 nan 0.000 0.492 282 R N 3.065 123.223 120.500 -0.570 0.000 2.515 282 R HA 0.393 4.734 4.340 0.001 0.000 0.294 282 R C 0.103 176.401 176.300 -0.003 0.000 1.021 282 R CA -0.425 55.508 56.100 -0.279 0.000 1.081 282 R CB 0.103 30.172 30.300 -0.386 0.000 1.263 282 R HN 0.364 nan 8.270 nan 0.000 0.557 283 A N 1.749 124.673 122.820 0.174 0.000 2.598 283 A HA 0.059 4.380 4.320 0.001 0.000 0.239 283 A C 0.951 178.588 177.584 0.088 0.000 1.032 283 A CA 1.095 53.253 52.037 0.202 0.000 0.760 283 A CB -0.162 18.961 19.000 0.206 0.000 0.946 283 A HN 0.858 nan 8.150 nan 0.000 0.512 284 M N 0.490 120.101 119.600 0.019 0.000 3.038 284 M HA -0.298 4.182 4.480 0.001 0.000 0.218 284 M C 1.060 177.253 176.300 -0.178 0.000 0.566 284 M CA 1.983 57.263 55.300 -0.034 0.000 0.836 284 M CB -2.052 30.579 32.600 0.052 0.000 2.977 284 M HN 1.292 nan 8.290 nan 0.000 0.299 285 H N -0.047 118.874 119.070 -0.248 0.000 2.390 285 H HA 0.168 4.724 4.556 0.001 0.000 0.298 285 H C 1.687 176.556 175.328 -0.764 0.000 1.106 285 H CA 2.289 57.963 56.048 -0.623 0.000 1.297 285 H CB -0.710 28.833 29.762 -0.365 0.000 1.375 285 H HN 0.531 nan 8.280 nan 0.000 0.509 286 A N 1.127 123.156 122.820 -1.318 0.000 2.172 286 A HA 0.124 4.445 4.320 0.001 0.000 0.216 286 A C 2.590 179.921 177.584 -0.422 0.000 1.154 286 A CA 1.020 52.545 52.037 -0.853 0.000 0.701 286 A CB -1.101 17.480 19.000 -0.697 0.000 0.789 286 A HN 0.738 nan 8.150 nan 0.000 0.465 287 A N -0.432 122.178 122.820 -0.350 0.000 2.019 287 A HA 0.061 4.381 4.320 0.001 0.000 0.219 287 A C 1.619 179.216 177.584 0.023 0.000 1.164 287 A CA 1.625 53.606 52.037 -0.093 0.000 0.644 287 A CB -0.611 18.415 19.000 0.043 0.000 0.805 287 A HN 1.153 nan 8.150 nan 0.000 0.449 288 F N -3.176 116.748 119.950 -0.044 0.000 2.831 288 F HA 0.213 4.740 4.527 0.001 0.000 0.334 288 F C 1.585 177.371 175.800 -0.025 0.000 1.071 288 F CA 0.605 58.575 58.000 -0.049 0.000 1.172 288 F CB -0.431 38.514 39.000 -0.092 0.000 1.054 288 F HN 0.030 nan 8.300 nan 0.000 0.572 289 T N -2.331 112.074 114.554 -0.248 0.000 3.065 289 T HA 0.141 4.492 4.350 0.001 0.000 0.252 289 T C 1.787 176.481 174.700 -0.010 0.000 1.099 289 T CA 0.566 62.638 62.100 -0.046 0.000 1.063 289 T CB -0.133 68.743 68.868 0.013 0.000 0.948 289 T HN 0.400 nan 8.240 nan 0.000 0.506 290 R N 1.392 121.864 120.500 -0.046 0.000 2.100 290 R HA 0.136 4.476 4.340 0.001 0.000 0.220 290 R C 0.679 176.987 176.300 0.014 0.000 1.091 290 R CA 0.267 56.354 56.100 -0.023 0.000 0.986 290 R CB -0.110 30.157 30.300 -0.055 0.000 0.888 290 R HN 0.250 nan 8.270 nan 0.000 0.444 291 N N 1.729 120.459 118.700 0.050 0.000 2.431 291 N HA 0.022 4.763 4.740 0.001 0.000 0.265 291 N C -1.919 173.636 175.510 0.075 0.000 1.184 291 N CA -1.836 51.275 53.050 0.100 0.000 0.943 291 N CB 1.613 40.203 38.487 0.171 0.000 1.080 291 N HN 0.092 nan 8.380 nan 0.000 0.477 292 P HA -0.047 nan 4.420 nan 0.000 0.237 292 P C 0.047 177.208 177.300 -0.232 0.000 1.178 292 P CA 1.030 64.026 63.100 -0.173 0.000 0.766 292 P CB 0.061 31.573 31.700 -0.312 0.000 0.876 293 Y N -1.982 118.402 120.300 0.141 0.000 2.445 293 Y HA 0.291 4.841 4.550 0.001 0.000 0.247 293 Y C 0.632 176.700 175.900 0.280 0.000 1.129 293 Y CA -0.135 58.079 58.100 0.190 0.000 1.251 293 Y CB 0.236 38.793 38.460 0.162 0.000 1.176 293 Y HN 0.016 nan 8.280 nan 0.000 0.522 294 H N -0.716 118.501 119.070 0.244 0.000 3.099 294 H HA 0.567 5.124 4.556 0.001 0.000 0.342 294 H C 0.006 175.419 175.328 0.142 0.000 1.054 294 H CA -0.163 56.019 56.048 0.222 0.000 1.328 294 H CB 1.114 30.992 29.762 0.193 0.000 1.876 294 H HN 0.258 nan 8.280 nan 0.000 0.495 295 G N 2.660 111.250 108.800 -0.349 0.000 2.265 295 G HA2 -0.005 3.955 3.960 0.001 0.000 0.246 295 G HA3 -0.005 3.955 3.960 0.001 0.000 0.246 295 G C -1.525 173.310 174.900 -0.109 0.000 1.299 295 G CA -0.375 44.511 45.100 -0.357 0.000 1.117 295 G HN 0.621 nan 8.290 nan 0.000 0.485 296 I N 1.211 121.831 120.570 0.084 0.000 2.436 296 I HA 0.499 4.670 4.170 0.001 0.000 0.289 296 I C 0.710 176.965 176.117 0.230 0.000 1.010 296 I CA -0.663 60.762 61.300 0.209 0.000 1.098 296 I CB 1.941 40.084 38.000 0.238 0.000 1.266 296 I HN 0.579 nan 8.210 nan 0.000 0.434 297 S N 4.497 120.296 115.700 0.165 0.000 2.562 297 S HA 0.051 4.522 4.470 0.001 0.000 0.281 297 S C 1.062 175.756 174.600 0.157 0.000 1.333 297 S CA -0.411 57.872 58.200 0.139 0.000 1.052 297 S CB 0.646 63.928 63.200 0.137 0.000 0.884 297 S HN 0.635 nan 8.310 nan 0.000 0.506 298 M N 5.195 124.865 119.600 0.116 0.000 2.346 298 M HA 0.007 4.487 4.480 0.001 0.000 0.263 298 M C 1.211 177.547 176.300 0.060 0.000 1.064 298 M CA 1.544 56.885 55.300 0.068 0.000 1.083 298 M CB -0.833 31.765 32.600 -0.003 0.000 1.399 298 M HN 0.845 nan 8.290 nan 0.000 0.435 299 F N -0.765 119.155 119.950 -0.050 0.000 2.171 299 F HA -0.192 4.336 4.527 0.001 0.000 0.300 299 F C 1.786 177.516 175.800 -0.115 0.000 1.090 299 F CA 1.653 59.584 58.000 -0.115 0.000 1.293 299 F CB -0.282 38.643 39.000 -0.124 0.000 1.013 299 F HN -0.026 nan 8.300 nan 0.000 0.486 300 V N 0.615 120.588 119.914 0.098 0.000 2.307 300 V HA -0.295 3.825 4.120 0.001 0.000 0.245 300 V C 2.446 178.455 176.094 -0.142 0.000 1.045 300 V CA 1.842 64.115 62.300 -0.044 0.000 1.024 300 V CB -0.710 31.116 31.823 0.004 0.000 0.651 300 V HN 0.339 nan 8.190 nan 0.000 0.449 301 L N 0.228 121.429 121.223 -0.036 0.000 2.013 301 L HA -0.230 4.111 4.340 0.001 0.000 0.212 301 L C 2.799 179.586 176.870 -0.139 0.000 1.073 301 L CA 1.834 56.624 54.840 -0.082 0.000 0.753 301 L CB -1.022 41.129 42.059 0.154 0.000 0.890 301 L HN 0.393 nan 8.230 nan 0.000 0.432 302 A N 0.263 123.025 122.820 -0.097 0.000 1.883 302 A HA -0.285 4.036 4.320 0.001 0.000 0.217 302 A C 2.434 179.887 177.584 -0.219 0.000 1.186 302 A CA 2.233 54.193 52.037 -0.130 0.000 0.624 302 A CB -0.550 18.301 19.000 -0.248 0.000 0.822 302 A HN 0.367 nan 8.150 nan 0.000 0.444 303 K N -0.354 119.833 120.400 -0.356 0.000 2.032 303 K HA -0.104 4.216 4.320 0.001 0.000 0.209 303 K C 1.951 178.380 176.600 -0.284 0.000 1.048 303 K CA 1.603 57.699 56.287 -0.318 0.000 0.927 303 K CB -0.340 31.916 32.500 -0.406 0.000 0.712 303 K HN 0.486 nan 8.250 nan 0.000 0.441 304 L N -0.033 120.986 121.223 -0.340 0.000 2.046 304 L HA -0.187 4.153 4.340 0.001 0.000 0.208 304 L C 2.408 179.184 176.870 -0.157 0.000 1.077 304 L CA 1.107 55.743 54.840 -0.341 0.000 0.747 304 L CB -0.557 41.285 42.059 -0.360 0.000 0.896 304 L HN 0.216 nan 8.230 nan 0.000 0.432 305 Y N -0.126 120.187 120.300 0.021 0.000 2.242 305 Y HA -0.196 4.355 4.550 0.001 0.000 0.291 305 Y C 2.793 178.657 175.900 -0.061 0.000 1.137 305 Y CA 1.010 59.111 58.100 0.001 0.000 1.181 305 Y CB -0.620 37.810 38.460 -0.049 0.000 0.989 305 Y HN 0.106 nan 8.280 nan 0.000 0.527 306 R N 0.462 120.975 120.500 0.022 0.000 2.070 306 R HA -0.152 4.189 4.340 0.001 0.000 0.233 306 R C 2.082 178.356 176.300 -0.043 0.000 1.137 306 R CA 1.521 57.592 56.100 -0.047 0.000 0.945 306 R CB -0.585 29.627 30.300 -0.147 0.000 0.845 306 R HN 0.329 nan 8.270 nan 0.000 0.430 307 L N 0.599 121.740 121.223 -0.137 0.000 2.013 307 L HA -0.239 4.102 4.340 0.001 0.000 0.212 307 L C 2.565 179.386 176.870 -0.082 0.000 1.073 307 L CA 1.476 56.147 54.840 -0.282 0.000 0.753 307 L CB -0.445 41.061 42.059 -0.921 0.000 0.890 307 L HN 0.295 nan 8.230 nan 0.000 0.432 308 I N -0.625 119.954 120.570 0.015 0.000 2.226 308 I HA -0.206 3.965 4.170 0.001 0.000 0.245 308 I C 1.484 177.710 176.117 0.182 0.000 1.100 308 I CA 1.497 62.946 61.300 0.248 0.000 1.374 308 I CB -0.317 37.861 38.000 0.297 0.000 1.057 308 I HN 0.520 nan 8.210 nan 0.000 0.413 309 G N 0.314 109.182 108.800 0.115 0.000 2.161 309 G HA2 -0.098 3.863 3.960 0.001 0.000 0.140 309 G HA3 -0.098 3.863 3.960 0.001 0.000 0.140 309 G C 0.055 174.986 174.900 0.052 0.000 1.040 309 G CA -0.767 44.382 45.100 0.081 0.000 0.735 309 G HN 0.047 nan 8.290 nan 0.000 0.496 310 I N 1.902 122.493 120.570 0.036 0.000 2.587 310 I HA 0.140 4.310 4.170 0.001 0.000 0.284 310 I C 0.949 177.048 176.117 -0.030 0.000 1.134 310 I CA -0.006 61.277 61.300 -0.029 0.000 1.410 310 I CB 0.524 38.474 38.000 -0.085 0.000 1.392 310 I HN 0.122 nan 8.210 nan 0.000 0.545 311 D N 4.934 125.317 120.400 -0.028 0.000 2.194 311 D HA -0.050 4.591 4.640 0.001 0.000 0.204 311 D C 0.321 176.636 176.300 0.025 0.000 0.964 311 D CA 1.118 55.128 54.000 0.018 0.000 0.846 311 D CB 0.574 41.398 40.800 0.040 0.000 0.962 311 D HN 0.621 nan 8.370 nan 0.000 0.490 312 Q N 0.130 119.893 119.800 -0.063 0.000 2.331 312 Q HA 0.606 4.947 4.340 0.001 0.000 0.272 312 Q C -1.415 174.430 176.000 -0.259 0.000 1.062 312 Q CA -0.628 55.126 55.803 -0.082 0.000 0.806 312 Q CB 3.158 31.850 28.738 -0.077 0.000 1.312 312 Q HN -0.063 nan 8.270 nan 0.000 0.431 313 L N 0.935 122.041 121.223 -0.195 0.000 2.455 313 L HA 0.402 4.742 4.340 0.001 0.000 0.264 313 L C -1.271 175.519 176.870 -0.134 0.000 0.968 313 L CA -0.263 54.449 54.840 -0.214 0.000 0.827 313 L CB 1.944 43.908 42.059 -0.159 0.000 1.317 313 L HN 0.689 nan 8.230 nan 0.000 0.407 314 H N 3.608 122.486 119.070 -0.319 0.000 2.764 314 H HA 0.311 4.867 4.556 0.001 0.000 0.341 314 H C 0.456 175.646 175.328 -0.230 0.000 1.072 314 H CA 0.528 56.427 56.048 -0.248 0.000 1.444 314 H CB 1.690 31.259 29.762 -0.322 0.000 1.458 314 H HN 0.613 nan 8.280 nan 0.000 0.572 315 V N -0.101 119.761 119.914 -0.086 0.000 3.451 315 V HA 0.464 4.585 4.120 0.001 0.000 0.288 315 V C 0.771 176.820 176.094 -0.075 0.000 1.502 315 V CA 0.432 62.674 62.300 -0.097 0.000 1.026 315 V CB 0.483 32.259 31.823 -0.079 0.000 0.840 315 V HN 1.067 nan 8.190 nan 0.000 0.437 316 G N 1.264 110.031 108.800 -0.055 0.000 2.462 316 G HA2 0.106 4.066 3.960 0.001 0.000 0.685 316 G HA3 0.106 4.066 3.960 0.001 0.000 0.685 316 G C 0.093 174.979 174.900 -0.024 0.000 1.295 316 G CA 0.301 45.386 45.100 -0.026 0.000 0.941 316 G HN 1.284 nan 8.290 nan 0.000 0.554 317 T N -2.583 111.962 114.554 -0.014 0.000 3.228 317 T HA 0.650 5.000 4.350 0.001 0.000 0.278 317 T C 1.420 176.108 174.700 -0.020 0.000 1.014 317 T CA 1.517 63.604 62.100 -0.023 0.000 0.904 317 T CB 0.388 69.241 68.868 -0.026 0.000 1.110 317 T HN 2.654 nan 8.240 nan 0.000 0.541 318 A N 0.316 123.129 122.820 -0.012 0.000 2.783 318 A HA 0.123 4.443 4.320 0.001 0.000 0.292 318 A C 1.845 179.425 177.584 -0.007 0.000 1.495 318 A CA 1.152 53.184 52.037 -0.007 0.000 0.787 318 A CB -2.128 16.866 19.000 -0.009 0.000 1.017 318 A HN 2.205 nan 8.150 nan 0.000 0.516 319 G N -3.334 105.463 108.800 -0.004 0.000 2.213 319 G HA2 0.110 4.071 3.960 0.001 0.000 0.236 319 G HA3 0.110 4.071 3.960 0.001 0.000 0.236 319 G C 1.302 176.199 174.900 -0.004 0.000 0.991 319 G CA 1.187 46.286 45.100 -0.001 0.000 0.629 319 G HN 2.239 nan 8.290 nan 0.000 0.517 320 A N 0.262 123.071 122.820 -0.017 0.000 2.030 320 A HA 0.658 4.979 4.320 0.001 0.000 0.215 320 A C 1.791 179.354 177.584 -0.034 0.000 1.164 320 A CA 1.989 54.008 52.037 -0.031 0.000 0.697 320 A CB -0.276 18.689 19.000 -0.058 0.000 0.827 320 A HN 1.707 nan 8.150 nan 0.000 0.457 321 G N -0.537 108.246 108.800 -0.027 0.000 2.583 321 G HA2 0.391 4.352 3.960 0.001 0.000 0.280 321 G HA3 0.391 4.352 3.960 0.001 0.000 0.280 321 G C 0.636 175.538 174.900 0.003 0.000 1.376 321 G CA 0.126 45.213 45.100 -0.022 0.000 1.043 321 G HN 0.363 nan 8.290 nan 0.000 0.538 322 K N -1.345 119.061 120.400 0.010 0.000 2.459 322 K HA 0.207 4.527 4.320 0.001 0.000 0.193 322 K C 0.178 176.792 176.600 0.024 0.000 1.030 322 K CA 0.285 56.584 56.287 0.021 0.000 1.026 322 K CB -0.172 32.342 32.500 0.023 0.000 0.809 322 K HN 0.218 nan 8.250 nan 0.000 0.504 323 L N 1.848 123.087 121.223 0.026 0.000 2.334 323 L HA 0.299 4.640 4.340 0.001 0.000 0.276 323 L C 0.156 177.043 176.870 0.028 0.000 1.014 323 L CA -1.180 53.678 54.840 0.031 0.000 0.815 323 L CB 1.657 43.745 42.059 0.049 0.000 1.268 323 L HN 0.080 nan 8.230 nan 0.000 0.428 324 E N 1.911 122.125 120.200 0.023 0.000 2.442 324 E HA 0.275 4.626 4.350 0.001 0.000 0.262 324 E C -0.141 176.476 176.600 0.028 0.000 1.004 324 E CA 0.526 56.938 56.400 0.021 0.000 0.928 324 E CB 1.044 30.751 29.700 0.012 0.000 0.937 324 E HN 0.782 nan 8.360 nan 0.000 0.446 325 G N 4.338 113.149 108.800 0.018 0.000 2.046 325 G HA2 -0.001 3.960 3.960 0.001 0.000 0.180 325 G HA3 -0.001 3.960 3.960 0.001 0.000 0.180 325 G C -0.783 174.121 174.900 0.006 0.000 1.990 325 G CA -0.730 44.379 45.100 0.014 0.000 0.997 325 G HN 0.462 nan 8.290 nan 0.000 0.592 326 E N 1.166 121.368 120.200 0.003 0.000 2.392 326 E HA 0.260 4.610 4.350 0.001 0.000 0.259 326 E C 1.513 178.115 176.600 0.004 0.000 1.108 326 E CA -0.620 55.782 56.400 0.003 0.000 0.916 326 E CB 1.591 31.291 29.700 0.001 0.000 0.989 326 E HN 0.509 nan 8.360 nan 0.000 0.432 327 R N 1.962 122.465 120.500 0.006 0.000 2.115 327 R HA -0.246 4.095 4.340 0.001 0.000 0.239 327 R C 1.532 177.841 176.300 0.016 0.000 1.133 327 R CA 2.590 58.695 56.100 0.008 0.000 0.935 327 R CB -0.277 30.028 30.300 0.008 0.000 0.853 327 R HN 0.714 nan 8.270 nan 0.000 0.433 328 D N 0.394 120.806 120.400 0.020 0.000 2.117 328 D HA -0.197 4.444 4.640 0.001 0.000 0.197 328 D C 1.982 178.305 176.300 0.039 0.000 0.987 328 D CA 1.158 55.179 54.000 0.034 0.000 0.829 328 D CB -0.307 40.516 40.800 0.038 0.000 0.961 328 D HN 0.292 nan 8.370 nan 0.000 0.460 329 I N 1.674 122.255 120.570 0.018 0.000 2.202 329 I HA -0.167 4.004 4.170 0.001 0.000 0.242 329 I C 2.457 178.591 176.117 0.029 0.000 1.091 329 I CA 1.056 62.365 61.300 0.016 0.000 1.368 329 I CB -1.682 36.310 38.000 -0.012 0.000 1.058 329 I HN 0.034 nan 8.210 nan 0.000 0.410 330 T N 1.747 116.310 114.554 0.016 0.000 2.788 330 T HA -0.092 4.259 4.350 0.001 0.000 0.268 330 T C 2.124 176.834 174.700 0.016 0.000 1.044 330 T CA 1.217 63.321 62.100 0.006 0.000 1.139 330 T CB -0.284 68.582 68.868 -0.003 0.000 0.867 330 T HN 0.221 nan 8.240 nan 0.000 0.454 331 I N 0.948 121.536 120.570 0.030 0.000 2.179 331 I HA -0.212 3.959 4.170 0.001 0.000 0.242 331 I C 2.872 179.033 176.117 0.073 0.000 1.088 331 I CA 1.097 62.423 61.300 0.043 0.000 1.357 331 I CB -0.340 37.688 38.000 0.048 0.000 1.051 331 I HN 0.156 nan 8.210 nan 0.000 0.409 332 Q N 0.611 120.471 119.800 0.100 0.000 2.061 332 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 332 Q C 1.982 178.063 176.000 0.134 0.000 0.984 332 Q CA 1.443 57.345 55.803 0.164 0.000 0.846 332 Q CB -0.821 27.972 28.738 0.091 0.000 0.902 332 Q HN 0.524 nan 8.270 nan 0.000 0.421 333 N N 0.920 119.660 118.700 0.066 0.000 2.036 333 N HA -0.176 4.565 4.740 0.001 0.000 0.195 333 N C 1.670 177.115 175.510 -0.109 0.000 1.037 333 N CA 1.810 54.827 53.050 -0.055 0.000 0.855 333 N CB -0.484 37.975 38.487 -0.046 0.000 1.033 333 N HN 0.315 nan 8.380 nan 0.000 0.423 334 A N 1.364 124.155 122.820 -0.049 0.000 1.902 334 A HA -0.095 4.226 4.320 0.001 0.000 0.217 334 A C 2.274 179.822 177.584 -0.060 0.000 1.181 334 A CA 1.142 53.147 52.037 -0.052 0.000 0.623 334 A CB -0.388 18.602 19.000 -0.016 0.000 0.818 334 A HN 0.242 nan 8.150 nan 0.000 0.443 335 R N -1.204 119.299 120.500 0.005 0.000 2.083 335 R HA -0.119 4.222 4.340 0.001 0.000 0.237 335 R C 1.930 178.214 176.300 -0.026 0.000 1.137 335 R CA 1.558 57.701 56.100 0.073 0.000 0.951 335 R CB -0.521 29.947 30.300 0.279 0.000 0.851 335 R HN 0.492 nan 8.270 nan 0.000 0.434 336 I N 1.022 121.466 120.570 -0.210 0.000 2.614 336 I HA -0.159 4.011 4.170 0.001 0.000 0.258 336 I C 1.769 177.588 176.117 -0.496 0.000 1.189 336 I CA 1.124 62.137 61.300 -0.479 0.000 1.462 336 I CB -0.020 37.325 38.000 -1.092 0.000 1.092 336 I HN 0.137 nan 8.210 nan 0.000 0.442 337 L N -0.713 120.291 121.223 -0.366 0.000 2.179 337 L HA -0.081 4.259 4.340 0.001 0.000 0.208 337 L C 2.399 179.056 176.870 -0.355 0.000 1.096 337 L CA 0.994 55.633 54.840 -0.335 0.000 0.779 337 L CB -0.334 41.600 42.059 -0.208 0.000 0.922 337 L HN 0.142 nan 8.230 nan 0.000 0.443 338 R N -0.825 119.502 120.500 -0.287 0.000 2.221 338 R HA 0.128 4.469 4.340 0.001 0.000 0.195 338 R C 0.239 176.401 176.300 -0.230 0.000 0.956 338 R CA -0.057 55.899 56.100 -0.239 0.000 1.064 338 R CB 0.377 30.581 30.300 -0.160 0.000 1.049 338 R HN 0.297 nan 8.270 nan 0.000 0.534 339 E N 0.607 120.687 120.200 -0.200 0.000 2.331 339 E HA 0.102 4.453 4.350 0.001 0.000 0.272 339 E C 0.188 176.737 176.600 -0.085 0.000 1.036 339 E CA -0.235 56.120 56.400 -0.075 0.000 0.864 339 E CB 1.572 31.321 29.700 0.082 0.000 1.035 339 E HN -0.030 nan 8.360 nan 0.000 0.408 340 S N 0.935 116.650 115.700 0.025 0.000 2.414 340 S HA -0.100 4.371 4.470 0.001 0.000 0.227 340 S C 0.251 174.995 174.600 0.239 0.000 1.022 340 S CA 0.715 58.974 58.200 0.100 0.000 0.958 340 S CB -0.026 63.209 63.200 0.059 0.000 0.797 340 S HN 0.493 nan 8.310 nan 0.000 0.493 341 H N -0.277 118.870 119.070 0.128 0.000 2.917 341 H HA 0.291 4.847 4.556 0.001 0.000 0.279 341 H C -1.427 174.007 175.328 0.177 0.000 1.211 341 H CA -0.883 55.244 56.048 0.131 0.000 1.534 341 H CB 0.307 30.084 29.762 0.025 0.000 1.581 341 H HN 0.248 nan 8.280 nan 0.000 0.510 342 Y N 4.928 125.479 120.300 0.418 0.000 2.436 342 Y HA 0.217 4.768 4.550 0.001 0.000 0.336 342 Y C -0.800 175.274 175.900 0.290 0.000 1.049 342 Y CA -0.035 58.250 58.100 0.308 0.000 1.294 342 Y CB 0.369 39.039 38.460 0.351 0.000 1.179 342 Y HN 0.457 nan 8.280 nan 0.000 0.520 343 K N 9.009 129.153 120.400 -0.426 0.000 2.413 343 K HA 0.357 4.678 4.320 0.001 0.000 0.257 343 K C -2.682 173.559 176.600 -0.599 0.000 0.946 343 K CA -2.036 54.041 56.287 -0.350 0.000 0.823 343 K CB 1.495 33.851 32.500 -0.240 0.000 1.109 343 K HN 0.470 nan 8.250 nan 0.000 0.427 344 P HA 0.036 nan 4.420 nan 0.000 0.272 344 P C -0.718 176.511 177.300 -0.119 0.000 1.223 344 P CA -0.257 62.731 63.100 -0.187 0.000 0.784 344 P CB 0.624 32.373 31.700 0.082 0.000 0.923 345 D N 0.702 121.065 120.400 -0.062 0.000 2.361 345 D HA 0.095 4.736 4.640 0.001 0.000 0.239 345 D C 1.787 178.065 176.300 -0.037 0.000 1.200 345 D CA 0.136 54.109 54.000 -0.044 0.000 0.915 345 D CB 0.176 40.969 40.800 -0.012 0.000 1.170 345 D HN 0.516 nan 8.370 nan 0.000 0.444 346 E N 1.269 121.445 120.200 -0.040 0.000 2.153 346 E HA -0.224 4.127 4.350 0.001 0.000 0.194 346 E C 1.171 177.740 176.600 -0.053 0.000 0.988 346 E CA 1.506 57.880 56.400 -0.044 0.000 0.811 346 E CB -0.865 28.814 29.700 -0.036 0.000 0.746 346 E HN 0.579 nan 8.360 nan 0.000 0.466 347 N N 0.407 119.082 118.700 -0.042 0.000 2.398 347 N HA -0.010 4.731 4.740 0.001 0.000 0.188 347 N C -0.233 175.233 175.510 -0.073 0.000 1.122 347 N CA 0.572 53.591 53.050 -0.052 0.000 0.866 347 N CB 0.167 38.640 38.487 -0.022 0.000 0.970 347 N HN 0.299 nan 8.380 nan 0.000 0.462 348 D N 1.101 121.466 120.400 -0.058 0.000 2.339 348 D HA 0.058 4.699 4.640 0.001 0.000 0.241 348 D C 1.085 177.268 176.300 -0.195 0.000 1.183 348 D CA -0.476 53.496 54.000 -0.047 0.000 0.859 348 D CB 1.489 42.336 40.800 0.078 0.000 1.067 348 D HN 0.020 nan 8.370 nan 0.000 0.484 349 V N 1.851 121.506 119.914 -0.431 0.000 3.647 349 V HA 0.216 4.337 4.120 0.001 0.000 0.279 349 V C 0.993 176.689 176.094 -0.664 0.000 1.314 349 V CA 0.234 62.160 62.300 -0.623 0.000 1.125 349 V CB -0.923 30.374 31.823 -0.877 0.000 0.907 349 V HN 0.281 nan 8.190 nan 0.000 0.434 350 F N 0.596 120.305 119.950 -0.402 0.000 2.559 350 F HA 0.423 4.950 4.527 0.001 0.000 0.286 350 F C 1.282 176.670 175.800 -0.687 0.000 1.108 350 F CA -0.028 57.593 58.000 -0.632 0.000 1.436 350 F CB -0.122 38.282 39.000 -0.993 0.000 1.130 350 F HN 0.309 nan 8.300 nan 0.000 0.584 351 H N -0.700 118.353 119.070 -0.029 0.000 2.670 351 H HA 0.677 5.233 4.556 0.001 0.000 0.361 351 H C -0.694 174.692 175.328 0.096 0.000 1.169 351 H CA -0.901 55.092 56.048 -0.091 0.000 1.198 351 H CB 1.870 31.430 29.762 -0.336 0.000 1.700 351 H HN -0.191 nan 8.280 nan 0.000 0.542 352 L N 0.481 121.899 121.223 0.324 0.000 2.319 352 L HA 0.319 4.660 4.340 0.001 0.000 0.267 352 L C 0.228 177.352 176.870 0.423 0.000 1.011 352 L CA -0.951 54.054 54.840 0.276 0.000 0.818 352 L CB 1.929 44.103 42.059 0.192 0.000 1.316 352 L HN 0.633 nan 8.230 nan 0.000 0.432 353 E N 1.603 121.977 120.200 0.290 0.000 2.414 353 E HA 0.039 4.390 4.350 0.001 0.000 0.263 353 E C -0.970 175.872 176.600 0.403 0.000 1.000 353 E CA -0.021 56.584 56.400 0.342 0.000 0.914 353 E CB 0.772 30.604 29.700 0.219 0.000 0.948 353 E HN 0.393 nan 8.360 nan 0.000 0.444 354 Q N 3.440 123.490 119.800 0.416 0.000 2.275 354 Q HA 0.242 4.583 4.340 0.001 0.000 0.258 354 Q C -1.800 174.176 176.000 -0.040 0.000 0.960 354 Q CA -0.563 55.349 55.803 0.182 0.000 0.801 354 Q CB 1.190 29.946 28.738 0.030 0.000 1.302 354 Q HN 0.361 nan 8.270 nan 0.000 0.433 355 K N 3.354 123.578 120.400 -0.292 0.000 2.205 355 K HA 0.310 4.630 4.320 0.001 0.000 0.279 355 K C -0.313 175.999 176.600 -0.481 0.000 1.027 355 K CA -0.158 55.808 56.287 -0.536 0.000 0.932 355 K CB 0.707 32.627 32.500 -0.966 0.000 1.032 355 K HN 0.605 nan 8.250 nan 0.000 0.466 356 F N 1.365 121.175 119.950 -0.233 0.000 2.678 356 F HA 0.084 4.611 4.527 0.001 0.000 0.305 356 F C 0.204 176.050 175.800 0.077 0.000 1.090 356 F CA -0.202 57.776 58.000 -0.036 0.000 1.272 356 F CB -0.093 38.882 39.000 -0.042 0.000 1.060 356 F HN 0.651 nan 8.300 nan 0.000 0.576 357 Y N -1.260 119.099 120.300 0.098 0.000 2.817 357 Y HA -0.515 4.035 4.550 0.001 0.000 0.471 357 Y C 2.145 178.088 175.900 0.072 0.000 1.142 357 Y CA 1.271 59.405 58.100 0.056 0.000 2.725 357 Y CB -2.037 36.434 38.460 0.018 0.000 1.169 357 Y HN -0.044 nan 8.280 nan 0.000 0.619 358 S N 0.186 116.041 115.700 0.258 0.000 2.575 358 S HA 0.215 4.686 4.470 0.001 0.000 0.215 358 S C 0.189 174.859 174.600 0.118 0.000 0.966 358 S CA -0.139 58.146 58.200 0.143 0.000 0.911 358 S CB -0.402 62.859 63.200 0.102 0.000 0.780 358 S HN 0.249 nan 8.310 nan 0.000 0.514 359 I N 3.765 124.435 120.570 0.167 0.000 2.664 359 I HA 0.074 4.244 4.170 0.001 0.000 0.284 359 I C 0.727 176.872 176.117 0.047 0.000 1.154 359 I CA 0.327 61.708 61.300 0.135 0.000 1.402 359 I CB -0.143 38.000 38.000 0.239 0.000 1.395 359 I HN 0.178 nan 8.210 nan 0.000 0.545 360 K N 4.256 124.660 120.400 0.006 0.000 2.336 360 K HA 0.313 4.634 4.320 0.001 0.000 0.262 360 K C 0.335 176.869 176.600 -0.109 0.000 0.992 360 K CA -0.415 55.847 56.287 -0.043 0.000 0.927 360 K CB 0.552 33.034 32.500 -0.031 0.000 0.956 360 K HN 0.744 nan 8.250 nan 0.000 0.495 361 A N 1.222 123.955 122.820 -0.144 0.000 2.425 361 A HA 0.421 4.742 4.320 0.001 0.000 0.249 361 A C -0.166 177.312 177.584 -0.176 0.000 1.084 361 A CA -0.221 51.692 52.037 -0.207 0.000 0.781 361 A CB 0.331 19.200 19.000 -0.219 0.000 1.019 361 A HN 0.713 nan 8.150 nan 0.000 0.490 362 A N 1.515 124.228 122.820 -0.179 0.000 2.295 362 A HA 0.660 4.981 4.320 0.001 0.000 0.318 362 A C -0.611 176.924 177.584 -0.083 0.000 1.134 362 A CA -0.436 51.540 52.037 -0.102 0.000 0.827 362 A CB 0.244 19.189 19.000 -0.092 0.000 1.136 362 A HN 0.731 nan 8.150 nan 0.000 0.493 363 F N 2.357 122.258 119.950 -0.082 0.000 2.438 363 F HA 0.378 4.905 4.527 0.001 0.000 0.360 363 F C -2.005 173.739 175.800 -0.094 0.000 1.118 363 F CA -2.273 55.685 58.000 -0.068 0.000 1.164 363 F CB 0.986 39.962 39.000 -0.040 0.000 1.131 363 F HN 0.252 nan 8.300 nan 0.000 0.527 364 P HA 0.109 nan 4.420 nan 0.000 0.268 364 P C -0.787 176.531 177.300 0.029 0.000 1.204 364 P CA 0.040 63.172 63.100 0.054 0.000 0.768 364 P CB 0.607 32.324 31.700 0.028 0.000 0.842 365 T N 1.831 116.325 114.554 -0.100 0.000 2.792 365 T HA 0.383 4.734 4.350 0.001 0.000 0.280 365 T C -0.287 174.264 174.700 -0.248 0.000 0.990 365 T CA -0.364 61.608 62.100 -0.213 0.000 0.960 365 T CB 0.719 69.344 68.868 -0.405 0.000 0.939 365 T HN 0.133 nan 8.240 nan 0.000 0.439 366 S N 2.409 118.014 115.700 -0.159 0.000 2.437 366 S HA 0.748 5.219 4.470 0.001 0.000 0.305 366 S C -0.638 173.910 174.600 -0.087 0.000 1.109 366 S CA -0.478 57.659 58.200 -0.106 0.000 1.099 366 S CB 0.679 63.845 63.200 -0.055 0.000 1.004 366 S HN 0.743 nan 8.310 nan 0.000 0.475 367 S N 3.063 118.734 115.700 -0.047 0.000 2.547 367 S HA 0.751 5.222 4.470 0.001 0.000 0.270 367 S C -0.655 173.979 174.600 0.057 0.000 1.150 367 S CA 0.298 58.512 58.200 0.023 0.000 0.850 367 S CB 1.124 64.375 63.200 0.084 0.000 1.118 367 S HN 1.938 nan 8.310 nan 0.000 0.461 368 G N 1.283 110.113 108.800 0.051 0.000 2.949 368 G HA2 0.451 4.412 3.960 0.001 0.000 0.658 368 G HA3 0.451 4.412 3.960 0.001 0.000 0.658 368 G C 0.938 175.841 174.900 0.004 0.000 1.194 368 G CA 0.439 45.567 45.100 0.046 0.000 1.204 368 G HN 2.237 nan 8.290 nan 0.000 0.524 369 G N -0.187 108.605 108.800 -0.012 0.000 2.176 369 G HA2 -0.141 3.820 3.960 0.001 0.000 0.252 369 G HA3 -0.141 3.820 3.960 0.001 0.000 0.252 369 G C 0.516 175.365 174.900 -0.085 0.000 1.024 369 G CA 0.662 45.739 45.100 -0.037 0.000 0.755 369 G HN 1.459 nan 8.290 nan 0.000 0.507 370 L N 0.388 121.541 121.223 -0.118 0.000 2.334 370 L HA 0.752 5.093 4.340 0.001 0.000 0.277 370 L C 0.757 177.474 176.870 -0.256 0.000 1.075 370 L CA -0.955 53.759 54.840 -0.209 0.000 0.804 370 L CB 1.086 43.059 42.059 -0.143 0.000 1.174 370 L HN 0.582 nan 8.230 nan 0.000 0.438 371 H N 0.135 119.039 119.070 -0.277 0.000 2.977 371 H HA 0.408 4.964 4.556 0.001 0.000 0.350 371 H C -2.603 172.631 175.328 -0.156 0.000 1.238 371 H CA -2.132 53.689 56.048 -0.379 0.000 1.124 371 H CB 0.594 29.884 29.762 -0.786 0.000 1.866 371 H HN 0.115 nan 8.280 nan 0.000 0.550 372 P HA -0.130 nan 4.420 nan 0.000 0.217 372 P C 1.331 178.678 177.300 0.077 0.000 1.148 372 P CA 2.559 65.698 63.100 0.064 0.000 0.834 372 P CB -0.123 31.674 31.700 0.163 0.000 0.783 373 G N -0.960 107.986 108.800 0.244 0.000 3.088 373 G HA2 -0.090 3.870 3.960 0.001 0.000 0.212 373 G HA3 -0.090 3.870 3.960 0.001 0.000 0.212 373 G C 0.700 175.655 174.900 0.092 0.000 1.173 373 G CA 0.120 45.334 45.100 0.190 0.000 0.779 373 G HN 0.358 nan 8.290 nan 0.000 0.540 374 N N -0.049 118.484 118.700 -0.278 0.000 2.232 374 N HA 0.029 4.770 4.740 0.001 0.000 0.240 374 N C 1.308 176.706 175.510 -0.188 0.000 1.307 374 N CA -0.190 52.713 53.050 -0.244 0.000 0.859 374 N CB -0.607 37.634 38.487 -0.410 0.000 1.260 374 N HN 0.405 nan 8.380 nan 0.000 0.501 375 I N -3.661 116.819 120.570 -0.150 0.000 3.226 375 I HA 0.136 4.307 4.170 0.001 0.000 0.277 375 I C 2.049 178.122 176.117 -0.074 0.000 1.243 375 I CA 0.200 61.432 61.300 -0.113 0.000 1.459 375 I CB 0.103 38.032 38.000 -0.117 0.000 1.093 375 I HN -0.039 nan 8.210 nan 0.000 0.453 376 Q N 2.443 122.210 119.800 -0.056 0.000 2.050 376 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 376 Q C -0.391 175.584 176.000 -0.042 0.000 0.980 376 Q CA 2.235 58.010 55.803 -0.046 0.000 0.840 376 Q CB -1.220 27.496 28.738 -0.035 0.000 0.898 376 Q HN 0.377 nan 8.270 nan 0.000 0.424 377 P HA -0.092 nan 4.420 nan 0.000 0.218 377 P C 1.633 178.914 177.300 -0.033 0.000 1.149 377 P CA 0.987 64.066 63.100 -0.035 0.000 0.817 377 P CB -0.062 31.617 31.700 -0.034 0.000 0.785 378 V N -0.296 119.593 119.914 -0.041 0.000 2.307 378 V HA -0.208 3.913 4.120 0.001 0.000 0.245 378 V C 2.328 178.407 176.094 -0.025 0.000 1.045 378 V CA 1.635 63.914 62.300 -0.035 0.000 1.024 378 V CB -1.026 30.769 31.823 -0.047 0.000 0.651 378 V HN 0.043 nan 8.190 nan 0.000 0.449 379 I N -0.027 120.526 120.570 -0.029 0.000 2.394 379 I HA -0.213 3.958 4.170 0.001 0.000 0.251 379 I C 2.532 178.639 176.117 -0.017 0.000 1.136 379 I CA 1.558 62.845 61.300 -0.020 0.000 1.425 379 I CB -0.312 37.670 38.000 -0.029 0.000 1.079 379 I HN 0.416 nan 8.210 nan 0.000 0.425 380 E N 1.364 121.551 120.200 -0.021 0.000 2.150 380 E HA -0.193 4.157 4.350 0.001 0.000 0.193 380 E C 2.207 178.801 176.600 -0.011 0.000 0.985 380 E CA 1.146 57.535 56.400 -0.018 0.000 0.814 380 E CB 0.105 29.792 29.700 -0.022 0.000 0.752 380 E HN 0.501 nan 8.360 nan 0.000 0.466 381 A N 0.402 123.216 122.820 -0.009 0.000 1.911 381 A HA 0.057 4.378 4.320 0.001 0.000 0.212 381 A C 1.950 179.535 177.584 0.003 0.000 1.189 381 A CA 0.500 52.535 52.037 -0.002 0.000 0.639 381 A CB -0.058 18.940 19.000 -0.003 0.000 0.839 381 A HN 0.267 nan 8.150 nan 0.000 0.449 382 L N -1.494 119.730 121.223 0.001 0.000 2.590 382 L HA 0.350 4.690 4.340 0.001 0.000 0.227 382 L C 1.268 178.144 176.870 0.011 0.000 1.099 382 L CA 0.352 55.196 54.840 0.007 0.000 0.872 382 L CB -0.510 41.553 42.059 0.006 0.000 1.088 382 L HN 0.605 nan 8.230 nan 0.000 0.479 383 G N 0.976 109.780 108.800 0.007 0.000 2.698 383 G HA2 -0.293 3.667 3.960 0.001 0.000 0.225 383 G HA3 -0.293 3.667 3.960 0.001 0.000 0.225 383 G C 0.502 175.416 174.900 0.023 0.000 1.345 383 G CA -0.009 45.097 45.100 0.009 0.000 0.871 383 G HN 0.192 nan 8.290 nan 0.000 0.540 384 T N -3.164 111.408 114.554 0.029 0.000 3.065 384 T HA 0.251 4.601 4.350 0.001 0.000 0.252 384 T C 0.740 175.504 174.700 0.107 0.000 1.099 384 T CA 1.254 63.384 62.100 0.050 0.000 1.063 384 T CB 0.301 69.190 68.868 0.035 0.000 0.948 384 T HN 0.401 nan 8.240 nan 0.000 0.506 385 D N 2.725 123.183 120.400 0.097 0.000 2.688 385 D HA 0.358 4.999 4.640 0.001 0.000 0.228 385 D C 0.098 176.579 176.300 0.302 0.000 1.116 385 D CA -0.130 53.961 54.000 0.153 0.000 1.023 385 D CB -0.414 40.366 40.800 -0.033 0.000 1.100 385 D HN 0.733 nan 8.370 nan 0.000 0.487 386 I N -3.181 117.625 120.570 0.394 0.000 3.102 386 I HA 0.547 4.718 4.170 0.001 0.000 0.310 386 I C -0.956 175.187 176.117 0.045 0.000 1.246 386 I CA -1.224 60.248 61.300 0.287 0.000 0.979 386 I CB 2.049 40.114 38.000 0.108 0.000 1.267 386 I HN -0.369 nan 8.210 nan 0.000 0.451 387 V N 3.973 123.816 119.914 -0.119 0.000 2.398 387 V HA 0.461 4.581 4.120 0.001 0.000 0.286 387 V C -0.017 176.057 176.094 -0.034 0.000 1.026 387 V CA -0.433 61.752 62.300 -0.193 0.000 0.868 387 V CB 1.390 33.034 31.823 -0.299 0.000 0.982 387 V HN 0.468 nan 8.190 nan 0.000 0.443 388 L N 4.635 125.889 121.223 0.052 0.000 2.309 388 L HA 0.580 4.920 4.340 0.001 0.000 0.282 388 L C -0.065 176.896 176.870 0.153 0.000 1.036 388 L CA -0.228 54.657 54.840 0.076 0.000 0.806 388 L CB 1.506 43.611 42.059 0.075 0.000 1.220 388 L HN 0.531 nan 8.230 nan 0.000 0.429 389 Q N 3.947 123.810 119.800 0.105 0.000 2.330 389 Q HA 0.488 4.829 4.340 0.001 0.000 0.269 389 Q C -1.806 174.240 176.000 0.077 0.000 1.022 389 Q CA -0.761 55.112 55.803 0.116 0.000 0.796 389 Q CB 2.033 30.873 28.738 0.170 0.000 1.271 389 Q HN 0.438 nan 8.270 nan 0.000 0.450 390 L N 3.610 124.881 121.223 0.081 0.000 2.377 390 L HA 0.505 4.846 4.340 0.001 0.000 0.270 390 L C 0.796 177.684 176.870 0.030 0.000 0.991 390 L CA -0.105 54.766 54.840 0.051 0.000 0.851 390 L CB 1.932 44.032 42.059 0.068 0.000 1.218 390 L HN 0.808 nan 8.230 nan 0.000 0.420 391 G N 1.616 110.423 108.800 0.012 0.000 2.682 391 G HA2 0.109 4.069 3.960 0.001 0.000 0.221 391 G HA3 0.109 4.069 3.960 0.001 0.000 0.221 391 G C 1.252 176.158 174.900 0.009 0.000 1.386 391 G CA 0.603 45.712 45.100 0.015 0.000 0.909 391 G HN 0.702 nan 8.290 nan 0.000 0.558 392 G N 0.609 109.408 108.800 -0.001 0.000 2.450 392 G HA2 0.086 4.047 3.960 0.001 0.000 0.220 392 G HA3 0.086 4.047 3.960 0.001 0.000 0.220 392 G C 1.635 176.501 174.900 -0.056 0.000 1.130 392 G CA 1.367 46.472 45.100 0.008 0.000 0.760 392 G HN 0.695 nan 8.290 nan 0.000 0.557 393 G N -0.753 107.923 108.800 -0.206 0.000 2.679 393 G HA2 0.138 4.098 3.960 0.001 0.000 0.212 393 G HA3 0.138 4.098 3.960 0.001 0.000 0.212 393 G C 1.462 176.283 174.900 -0.131 0.000 1.137 393 G CA 1.478 46.294 45.100 -0.474 0.000 0.787 393 G HN 0.398 nan 8.290 nan 0.000 0.534 394 T N 0.256 114.840 114.554 0.050 0.000 3.111 394 T HA 0.099 4.450 4.350 0.001 0.000 0.236 394 T C 2.110 176.929 174.700 0.198 0.000 0.984 394 T CA -0.043 62.147 62.100 0.150 0.000 1.195 394 T CB -0.056 68.885 68.868 0.122 0.000 0.929 394 T HN 0.047 nan 8.240 nan 0.000 0.431 395 L N 1.479 122.781 121.223 0.132 0.000 2.275 395 L HA 0.187 4.528 4.340 0.001 0.000 0.215 395 L C 2.348 179.330 176.870 0.186 0.000 1.119 395 L CA 1.116 56.024 54.840 0.115 0.000 0.790 395 L CB -0.441 41.647 42.059 0.049 0.000 0.919 395 L HN 0.375 nan 8.230 nan 0.000 0.443 396 G N -2.854 106.134 108.800 0.313 0.000 3.088 396 G HA2 -0.105 3.855 3.960 0.001 0.000 0.212 396 G HA3 -0.105 3.855 3.960 0.001 0.000 0.212 396 G C 0.605 175.698 174.900 0.321 0.000 1.173 396 G CA -0.305 45.022 45.100 0.378 0.000 0.779 396 G HN 0.297 nan 8.290 nan 0.000 0.540 397 H N 1.413 120.641 119.070 0.263 0.000 2.972 397 H HA 0.028 4.585 4.556 0.001 0.000 0.343 397 H C -1.364 173.896 175.328 -0.113 0.000 1.054 397 H CA -0.824 55.239 56.048 0.025 0.000 1.412 397 H CB 1.725 31.548 29.762 0.103 0.000 1.385 397 H HN -0.032 nan 8.280 nan 0.000 0.600 398 P HA -0.090 nan 4.420 nan 0.000 0.221 398 P C 0.229 177.519 177.300 -0.018 0.000 1.145 398 P CA 1.245 64.168 63.100 -0.296 0.000 0.795 398 P CB 0.372 31.810 31.700 -0.437 0.000 0.775 399 D N -1.320 119.255 120.400 0.293 0.000 2.402 399 D HA 0.319 4.960 4.640 0.001 0.000 0.216 399 D C 1.025 177.397 176.300 0.120 0.000 1.128 399 D CA 0.416 54.532 54.000 0.192 0.000 0.833 399 D CB 0.501 41.413 40.800 0.187 0.000 0.971 399 D HN 0.081 nan 8.370 nan 0.000 0.503 400 G N 1.532 110.416 108.800 0.141 0.000 2.612 400 G HA2 -0.175 3.786 3.960 0.001 0.000 0.686 400 G HA3 -0.175 3.786 3.960 0.001 0.000 0.686 400 G C -2.317 172.603 174.900 0.033 0.000 1.274 400 G CA -0.942 44.194 45.100 0.060 0.000 0.849 400 G HN -0.171 nan 8.290 nan 0.000 0.595 401 P HA -0.040 nan 4.420 nan 0.000 0.215 401 P C 2.318 179.586 177.300 -0.053 0.000 1.153 401 P CA 2.995 66.091 63.100 -0.006 0.000 0.853 401 P CB -0.010 31.668 31.700 -0.036 0.000 0.788 402 A N 0.168 122.943 122.820 -0.075 0.000 1.883 402 A HA -0.171 4.149 4.320 0.001 0.000 0.217 402 A C 2.364 179.866 177.584 -0.137 0.000 1.186 402 A CA 2.416 54.394 52.037 -0.098 0.000 0.624 402 A CB -1.693 17.255 19.000 -0.087 0.000 0.822 402 A HN 0.202 nan 8.150 nan 0.000 0.444 403 A N -0.688 122.015 122.820 -0.196 0.000 1.972 403 A HA 0.140 4.461 4.320 0.001 0.000 0.219 403 A C 2.362 179.594 177.584 -0.586 0.000 1.169 403 A CA 1.872 53.688 52.037 -0.368 0.000 0.635 403 A CB -1.272 17.477 19.000 -0.419 0.000 0.810 403 A HN 0.744 nan 8.150 nan 0.000 0.446 404 G N -0.502 108.033 108.800 -0.441 0.000 2.402 404 G HA2 0.034 3.994 3.960 0.001 0.000 0.216 404 G HA3 0.034 3.994 3.960 0.001 0.000 0.216 404 G C 1.730 176.602 174.900 -0.047 0.000 1.162 404 G CA 1.306 46.310 45.100 -0.160 0.000 0.777 404 G HN 0.750 nan 8.290 nan 0.000 0.539 405 A N 0.987 123.788 122.820 -0.031 0.000 1.877 405 A HA -0.029 4.292 4.320 0.001 0.000 0.216 405 A C 2.448 180.012 177.584 -0.033 0.000 1.186 405 A CA 1.619 53.688 52.037 0.053 0.000 0.620 405 A CB -0.392 18.636 19.000 0.045 0.000 0.822 405 A HN 0.353 nan 8.150 nan 0.000 0.443 406 R N -0.555 119.901 120.500 -0.074 0.000 2.096 406 R HA -0.073 4.267 4.340 0.001 0.000 0.235 406 R C 2.479 178.742 176.300 -0.063 0.000 1.127 406 R CA 1.145 57.206 56.100 -0.064 0.000 0.968 406 R CB -0.513 29.750 30.300 -0.062 0.000 0.861 406 R HN 0.516 nan 8.270 nan 0.000 0.440 407 A N 0.869 123.646 122.820 -0.071 0.000 1.908 407 A HA -0.129 4.192 4.320 0.001 0.000 0.218 407 A C 2.383 179.936 177.584 -0.050 0.000 1.181 407 A CA 1.489 53.531 52.037 0.009 0.000 0.627 407 A CB -0.533 18.552 19.000 0.141 0.000 0.818 407 A HN 0.115 nan 8.150 nan 0.000 0.445 408 V N 0.089 119.906 119.914 -0.162 0.000 2.307 408 V HA -0.207 3.914 4.120 0.001 0.000 0.245 408 V C 2.677 178.542 176.094 -0.381 0.000 1.045 408 V CA 1.934 64.017 62.300 -0.362 0.000 1.024 408 V CB -0.772 30.563 31.823 -0.814 0.000 0.651 408 V HN 0.446 nan 8.190 nan 0.000 0.449 409 R N -0.043 120.262 120.500 -0.325 0.000 2.148 409 R HA -0.118 4.222 4.340 0.001 0.000 0.227 409 R C 2.228 178.439 176.300 -0.149 0.000 1.103 409 R CA 1.173 57.151 56.100 -0.204 0.000 0.983 409 R CB -0.526 29.718 30.300 -0.093 0.000 0.874 409 R HN 0.637 nan 8.270 nan 0.000 0.451 410 Q N -0.172 119.558 119.800 -0.117 0.000 2.079 410 Q HA -0.013 4.328 4.340 0.001 0.000 0.200 410 Q C 2.153 178.013 176.000 -0.232 0.000 0.974 410 Q CA 1.508 57.247 55.803 -0.107 0.000 0.840 410 Q CB -0.151 28.585 28.738 -0.004 0.000 0.898 410 Q HN 0.321 nan 8.270 nan 0.000 0.430 411 A N 0.927 123.644 122.820 -0.173 0.000 1.908 411 A HA -0.197 4.123 4.320 0.001 0.000 0.218 411 A C 2.020 179.462 177.584 -0.238 0.000 1.181 411 A CA 1.272 53.200 52.037 -0.181 0.000 0.627 411 A CB -0.657 18.276 19.000 -0.112 0.000 0.818 411 A HN 0.317 nan 8.150 nan 0.000 0.445 412 I N -0.396 120.042 120.570 -0.220 0.000 2.252 412 I HA -0.212 3.958 4.170 0.001 0.000 0.245 412 I C 1.976 177.969 176.117 -0.207 0.000 1.102 412 I CA 1.335 62.524 61.300 -0.185 0.000 1.385 412 I CB -0.517 37.393 38.000 -0.151 0.000 1.064 412 I HN 0.235 nan 8.210 nan 0.000 0.414 413 D N 1.344 121.597 120.400 -0.244 0.000 2.103 413 D HA -0.211 4.429 4.640 0.001 0.000 0.190 413 D C 2.273 178.310 176.300 -0.439 0.000 0.997 413 D CA 1.834 55.675 54.000 -0.264 0.000 0.833 413 D CB -0.366 40.308 40.800 -0.210 0.000 0.961 413 D HN 0.337 nan 8.370 nan 0.000 0.447 414 A N 0.773 123.090 122.820 -0.838 0.000 1.903 414 A HA -0.221 4.100 4.320 0.001 0.000 0.219 414 A C 2.461 179.814 177.584 -0.386 0.000 1.191 414 A CA 1.537 53.005 52.037 -0.948 0.000 0.638 414 A CB -0.934 17.445 19.000 -1.036 0.000 0.823 414 A HN 0.270 nan 8.150 nan 0.000 0.451 415 I N -0.738 119.667 120.570 -0.276 0.000 2.226 415 I HA -0.261 3.909 4.170 0.001 0.000 0.245 415 I C 2.460 178.507 176.117 -0.116 0.000 1.100 415 I CA 1.112 62.320 61.300 -0.154 0.000 1.374 415 I CB -0.308 37.619 38.000 -0.120 0.000 1.057 415 I HN 0.279 nan 8.210 nan 0.000 0.413 416 M N -0.227 119.300 119.600 -0.122 0.000 2.279 416 M HA -0.188 4.292 4.480 0.001 0.000 0.264 416 M C 2.018 178.281 176.300 -0.060 0.000 1.062 416 M CA 1.681 56.936 55.300 -0.075 0.000 1.099 416 M CB -0.976 31.585 32.600 -0.065 0.000 1.394 416 M HN 0.354 nan 8.290 nan 0.000 0.426 417 Q N -0.845 118.906 119.800 -0.082 0.000 2.402 417 Q HA 0.194 4.534 4.340 0.001 0.000 0.206 417 Q C 1.110 177.095 176.000 -0.025 0.000 0.919 417 Q CA 0.616 56.396 55.803 -0.039 0.000 0.923 417 Q CB 0.450 29.175 28.738 -0.021 0.000 1.048 417 Q HN 0.698 nan 8.270 nan 0.000 0.515 418 G N 1.164 109.937 108.800 -0.045 0.000 2.131 418 G HA2 -0.225 3.736 3.960 0.001 0.000 0.223 418 G HA3 -0.225 3.736 3.960 0.001 0.000 0.223 418 G C -0.050 174.843 174.900 -0.012 0.000 0.990 418 G CA -0.332 44.752 45.100 -0.026 0.000 0.671 418 G HN 0.251 nan 8.290 nan 0.000 0.521 419 I N 1.598 122.155 120.570 -0.021 0.000 2.315 419 I HA 0.294 4.464 4.170 0.001 0.000 0.291 419 I C -1.846 174.280 176.117 0.015 0.000 1.006 419 I CA -2.340 58.980 61.300 0.033 0.000 1.265 419 I CB 1.307 39.386 38.000 0.131 0.000 1.387 419 I HN -0.155 nan 8.210 nan 0.000 0.475 420 P HA 0.031 nan 4.420 nan 0.000 0.265 420 P C 0.865 178.219 177.300 0.091 0.000 1.187 420 P CA 0.028 63.152 63.100 0.041 0.000 0.766 420 P CB 0.656 32.380 31.700 0.040 0.000 0.820 421 L N 1.633 122.914 121.223 0.096 0.000 2.046 421 L HA -0.188 4.153 4.340 0.001 0.000 0.208 421 L C 1.559 178.549 176.870 0.200 0.000 1.077 421 L CA 1.605 56.537 54.840 0.155 0.000 0.747 421 L CB -0.646 41.530 42.059 0.196 0.000 0.896 421 L HN 0.383 nan 8.230 nan 0.000 0.432 422 D N 0.276 120.796 120.400 0.200 0.000 2.182 422 D HA -0.179 4.462 4.640 0.001 0.000 0.201 422 D C 2.274 178.656 176.300 0.136 0.000 0.986 422 D CA 1.612 55.718 54.000 0.176 0.000 0.847 422 D CB 0.066 40.967 40.800 0.168 0.000 0.942 422 D HN 0.523 nan 8.370 nan 0.000 0.467 423 E N 0.259 120.540 120.200 0.136 0.000 2.014 423 E HA -0.138 4.212 4.350 0.001 0.000 0.190 423 E C 1.969 178.667 176.600 0.163 0.000 0.980 423 E CA 0.627 57.101 56.400 0.123 0.000 0.807 423 E CB -1.437 28.329 29.700 0.109 0.000 0.770 423 E HN 0.419 nan 8.360 nan 0.000 0.451 424 Y N 1.077 121.424 120.300 0.078 0.000 2.228 424 Y HA -0.168 4.383 4.550 0.001 0.000 0.285 424 Y C 2.638 178.663 175.900 0.209 0.000 1.178 424 Y CA 1.869 60.037 58.100 0.114 0.000 1.202 424 Y CB -0.308 38.157 38.460 0.008 0.000 0.974 424 Y HN 0.324 nan 8.280 nan 0.000 0.527 425 A N -0.295 122.679 122.820 0.257 0.000 2.015 425 A HA -0.160 4.161 4.320 0.001 0.000 0.219 425 A C 2.102 179.752 177.584 0.110 0.000 1.163 425 A CA 1.457 53.611 52.037 0.196 0.000 0.646 425 A CB -0.448 18.643 19.000 0.150 0.000 0.806 425 A HN 0.493 nan 8.150 nan 0.000 0.448 426 K N -0.327 120.115 120.400 0.070 0.000 2.281 426 K HA -0.097 4.224 4.320 0.001 0.000 0.203 426 K C 1.148 177.721 176.600 -0.044 0.000 1.046 426 K CA 1.595 57.890 56.287 0.014 0.000 0.938 426 K CB -0.145 32.362 32.500 0.011 0.000 0.737 426 K HN 0.683 nan 8.250 nan 0.000 0.458 427 T N -2.830 111.667 114.554 -0.096 0.000 3.228 427 T HA 0.169 4.520 4.350 0.001 0.000 0.278 427 T C -0.472 173.897 174.700 -0.553 0.000 1.014 427 T CA -0.638 61.289 62.100 -0.287 0.000 0.904 427 T CB -0.069 68.578 68.868 -0.369 0.000 1.110 427 T HN 0.031 nan 8.240 nan 0.000 0.541 428 H N 0.004 119.009 119.070 -0.109 0.000 3.177 428 H HA 0.576 5.133 4.556 0.001 0.000 0.314 428 H C 1.137 176.465 175.328 0.001 0.000 1.059 428 H CA -0.342 55.671 56.048 -0.057 0.000 1.515 428 H CB 1.467 31.211 29.762 -0.031 0.000 1.672 428 H HN 0.113 nan 8.280 nan 0.000 0.514 429 K N 2.205 122.644 120.400 0.065 0.000 2.009 429 K HA -0.184 4.137 4.320 0.001 0.000 0.210 429 K C 1.710 178.375 176.600 0.108 0.000 1.049 429 K CA 2.118 58.439 56.287 0.056 0.000 0.929 429 K CB -0.424 32.089 32.500 0.022 0.000 0.714 429 K HN 0.613 nan 8.250 nan 0.000 0.440 430 E N 0.264 120.536 120.200 0.119 0.000 2.049 430 E HA -0.160 4.191 4.350 0.001 0.000 0.198 430 E C 2.020 178.774 176.600 0.258 0.000 1.007 430 E CA 1.375 57.874 56.400 0.164 0.000 0.809 430 E CB -0.375 29.337 29.700 0.019 0.000 0.749 430 E HN 0.389 nan 8.360 nan 0.000 0.450 431 L N 0.530 121.865 121.223 0.188 0.000 2.012 431 L HA -0.131 4.209 4.340 0.001 0.000 0.210 431 L C 2.093 179.045 176.870 0.136 0.000 1.073 431 L CA 2.196 57.139 54.840 0.173 0.000 0.748 431 L CB -0.972 41.192 42.059 0.176 0.000 0.891 431 L HN 0.139 nan 8.230 nan 0.000 0.431 432 A N -0.606 122.284 122.820 0.117 0.000 1.883 432 A HA -0.212 4.109 4.320 0.001 0.000 0.217 432 A C 2.350 179.932 177.584 -0.003 0.000 1.186 432 A CA 1.636 53.707 52.037 0.056 0.000 0.624 432 A CB -0.552 18.475 19.000 0.046 0.000 0.822 432 A HN 0.438 nan 8.150 nan 0.000 0.444 433 R N -0.452 120.049 120.500 0.001 0.000 2.120 433 R HA -0.070 4.270 4.340 0.001 0.000 0.234 433 R C 2.408 178.521 176.300 -0.312 0.000 1.123 433 R CA 1.310 57.331 56.100 -0.133 0.000 0.975 433 R CB -1.007 29.245 30.300 -0.080 0.000 0.866 433 R HN 0.557 nan 8.270 nan 0.000 0.446 434 A N 1.344 124.068 122.820 -0.159 0.000 1.858 434 A HA -0.103 4.218 4.320 0.001 0.000 0.216 434 A C 2.337 179.859 177.584 -0.104 0.000 1.190 434 A CA 1.058 53.014 52.037 -0.134 0.000 0.617 434 A CB -0.628 18.533 19.000 0.269 0.000 0.827 434 A HN 0.196 nan 8.150 nan 0.000 0.443 435 L N -0.670 120.529 121.223 -0.039 0.000 2.191 435 L HA -0.202 4.139 4.340 0.001 0.000 0.212 435 L C 2.577 179.361 176.870 -0.142 0.000 1.103 435 L CA 1.706 56.493 54.840 -0.087 0.000 0.769 435 L CB -0.526 41.486 42.059 -0.079 0.000 0.908 435 L HN 0.627 nan 8.230 nan 0.000 0.438 436 E N 0.725 120.819 120.200 -0.177 0.000 2.150 436 E HA -0.251 4.099 4.350 0.001 0.000 0.193 436 E C 2.219 178.656 176.600 -0.273 0.000 0.985 436 E CA 1.096 57.381 56.400 -0.191 0.000 0.814 436 E CB 0.208 29.798 29.700 -0.183 0.000 0.752 436 E HN 0.358 nan 8.360 nan 0.000 0.466 437 K N -0.749 119.379 120.400 -0.454 0.000 2.128 437 K HA -0.055 4.266 4.320 0.001 0.000 0.202 437 K C 1.421 177.697 176.600 -0.539 0.000 1.050 437 K CA 0.951 56.851 56.287 -0.645 0.000 0.966 437 K CB 0.128 31.930 32.500 -1.162 0.000 0.759 437 K HN 0.205 nan 8.250 nan 0.000 0.454 438 W N 0.667 121.799 121.300 -0.280 0.000 2.993 438 W HA 0.289 4.949 4.660 0.001 0.000 0.290 438 W C 1.137 177.474 176.519 -0.303 0.000 1.203 438 W CA 0.538 57.629 57.345 -0.423 0.000 1.582 438 W CB -0.389 28.514 29.460 -0.929 0.000 1.033 438 W HN 0.426 nan 8.180 nan 0.000 0.594 439 G N 1.743 110.513 108.800 -0.050 0.000 2.611 439 G HA2 -0.361 3.600 3.960 0.001 0.000 0.301 439 G HA3 -0.361 3.600 3.960 0.001 0.000 0.301 439 G C 0.021 174.836 174.900 -0.142 0.000 1.233 439 G CA 1.236 46.268 45.100 -0.113 0.000 0.993 439 G HN 0.486 nan 8.290 nan 0.000 0.553 440 H N -1.065 118.129 119.070 0.207 0.000 2.512 440 H HA 0.552 5.109 4.556 0.001 0.000 0.276 440 H C 0.795 176.255 175.328 0.221 0.000 1.126 440 H CA 0.036 56.221 56.048 0.227 0.000 1.060 440 H CB 0.719 30.549 29.762 0.113 0.000 1.646 440 H HN 0.408 nan 8.280 nan 0.000 0.571 441 V N 1.510 121.621 119.914 0.330 0.000 2.843 441 V HA 0.018 4.139 4.120 0.001 0.000 0.305 441 V C 0.348 176.605 176.094 0.270 0.000 1.065 441 V CA 0.405 62.851 62.300 0.245 0.000 1.116 441 V CB 1.119 33.046 31.823 0.173 0.000 0.968 441 V HN 0.349 nan 8.190 nan 0.000 0.487 442 T N 8.816 123.459 114.554 0.149 0.000 2.811 442 T HA 0.355 4.706 4.350 0.001 0.000 0.309 442 T C -2.447 172.307 174.700 0.089 0.000 1.005 442 T CA -0.669 61.489 62.100 0.096 0.000 0.955 442 T CB 0.764 69.664 68.868 0.053 0.000 0.970 442 T HN 0.709 nan 8.240 nan 0.000 0.496 443 P HA 0.320 nan 4.420 nan 0.000 0.271 443 P C -0.638 176.690 177.300 0.047 0.000 1.216 443 P CA -0.167 62.975 63.100 0.069 0.000 0.771 443 P CB 0.911 32.645 31.700 0.056 0.000 0.864 444 V N 0.000 119.941 119.914 0.044 0.000 2.409 444 V HA 0.000 4.121 4.120 0.001 0.000 0.244 444 V CA 0.000 62.321 62.300 0.036 0.000 1.235 444 V CB 0.000 31.843 31.823 0.034 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556