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 3oh0_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPSNSNLQAL REELCTPGLD QGHLFEGWPE TVDECNERQI ALLTDLYMFS DATA SEQUENCE NMYPGGVAQY IRNGHELLAR ESEEVDFAAL EMPPLIFEAP SLHRRTAERT DATA SEQUENCE ALENAGTAML CKTVFVLVAG GLGERLGYSS IKVSLPVETA TNTTYLAYYL DATA SEQUENCE RWAQRVGGKE VPFVIMTSDD THDRTLQLLR ELQLEVPNLH VLKQGQVFCF DATA SEQUENCE ADSAAHLALD ETGKLLRKPH GHGDVHSLIY NATVXXXXXX XXXXXXXXAQ DATA SEQUENCE PLVNDWLAAG YESIVFIQDT NAGATITIPI SLALSAEHSL DMNFTCIPRV DATA SEQUENCE PKEPIGLLCR TKKNSGDPWL VANVEYNVFA EVSRALNKDX XXXXXXXXGF DATA SEQUENCE SPFPGSVNTL VFKLSSYVDR LRESHGIVPE FINPKYSDET RRSFKKPARI DATA SEQUENCE ESLMQDIALL FSEDDYRVGG TVFERFSYQP VKNSLEEAAG LVAQGNGAYC DATA SEQUENCE AATGEAAFYE LQRRRLKAIG LPLFYSSQPE VTVAKDAFGV RLFPIIVLDT DATA SEQUENCE VCASSGSLDD LARVFPTPEK VHIDQHSTLI VEGRVIIESL ELYGALTIRG DATA SEQUENCE PTDSMALPHV VRNAVVRNAG WSVHAILSLC AGRDSRLSEV DRIRGFVLKK DATA SEQUENCE TAMAVMDC 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.497 175.510 -0.022 0.000 1.280 3 N CA 0.000 53.056 53.050 0.010 0.000 0.885 3 N CB 0.000 38.514 38.487 0.045 0.000 1.341 4 P HA 0.265 nan 4.420 nan 0.000 0.274 4 P C -0.200 176.963 177.300 -0.228 0.000 1.231 4 P CA 0.015 62.973 63.100 -0.238 0.000 0.790 4 P CB 0.968 32.307 31.700 -0.602 0.000 0.951 5 S N 0.758 116.318 115.700 -0.233 0.000 2.603 5 S HA 0.046 4.547 4.470 0.051 0.000 0.268 5 S C 1.289 175.799 174.600 -0.149 0.000 1.317 5 S CA -0.358 57.757 58.200 -0.143 0.000 1.012 5 S CB 0.284 63.430 63.200 -0.090 0.000 0.926 5 S HN 0.378 nan 8.310 nan 0.000 0.539 6 N N 1.407 120.053 118.700 -0.089 0.000 2.223 6 N HA -0.099 4.671 4.740 0.051 0.000 0.185 6 N C 1.950 177.423 175.510 -0.061 0.000 1.016 6 N CA 1.750 54.758 53.050 -0.069 0.000 0.863 6 N CB -0.372 38.088 38.487 -0.045 0.000 0.983 6 N HN 0.709 nan 8.380 nan 0.000 0.429 7 S N -0.432 115.236 115.700 -0.054 0.000 2.395 7 S HA 0.060 4.561 4.470 0.051 0.000 0.225 7 S C 1.636 176.218 174.600 -0.030 0.000 1.027 7 S CA 0.456 58.636 58.200 -0.033 0.000 0.965 7 S CB -0.222 62.967 63.200 -0.019 0.000 0.812 7 S HN 0.174 nan 8.310 nan 0.000 0.482 8 N N 2.245 120.910 118.700 -0.059 0.000 2.166 8 N HA 0.080 4.851 4.740 0.051 0.000 0.186 8 N C 1.730 177.222 175.510 -0.029 0.000 1.019 8 N CA 1.187 54.219 53.050 -0.030 0.000 0.856 8 N CB -0.632 37.782 38.487 -0.123 0.000 0.993 8 N HN 0.431 nan 8.380 nan 0.000 0.426 9 L N 0.547 121.689 121.223 -0.136 0.000 2.093 9 L HA -0.153 4.218 4.340 0.051 0.000 0.208 9 L C 2.503 179.369 176.870 -0.006 0.000 1.085 9 L CA 0.942 55.752 54.840 -0.050 0.000 0.755 9 L CB -0.311 41.707 42.059 -0.069 0.000 0.904 9 L HN 0.119 nan 8.230 nan 0.000 0.435 10 Q N 0.430 120.214 119.800 -0.027 0.000 2.046 10 Q HA -0.129 4.242 4.340 0.051 0.000 0.200 10 Q C 2.254 178.232 176.000 -0.037 0.000 0.975 10 Q CA 2.032 57.809 55.803 -0.043 0.000 0.836 10 Q CB -0.285 28.433 28.738 -0.033 0.000 0.896 10 Q HN 0.397 nan 8.270 nan 0.000 0.428 11 A N 0.238 123.060 122.820 0.004 0.000 1.908 11 A HA -0.171 4.180 4.320 0.051 0.000 0.218 11 A C 2.023 179.631 177.584 0.040 0.000 1.181 11 A CA 1.644 53.696 52.037 0.025 0.000 0.627 11 A CB -0.904 18.128 19.000 0.054 0.000 0.818 11 A HN 0.478 nan 8.150 nan 0.000 0.445 12 L N -0.096 121.178 121.223 0.086 0.000 2.027 12 L HA -0.093 4.278 4.340 0.051 0.000 0.206 12 L C 2.457 179.345 176.870 0.030 0.000 1.074 12 L CA 2.439 57.347 54.840 0.114 0.000 0.745 12 L CB -0.684 41.521 42.059 0.244 0.000 0.898 12 L HN 0.496 nan 8.230 nan 0.000 0.433 13 R N -0.218 120.232 120.500 -0.083 0.000 2.094 13 R HA -0.229 4.142 4.340 0.051 0.000 0.239 13 R C 2.124 178.257 176.300 -0.279 0.000 1.137 13 R CA 2.247 58.120 56.100 -0.378 0.000 0.943 13 R CB -0.412 29.496 30.300 -0.654 0.000 0.850 13 R HN 0.555 nan 8.270 nan 0.000 0.433 14 E N 0.090 120.188 120.200 -0.170 0.000 2.085 14 E HA -0.257 4.124 4.350 0.051 0.000 0.194 14 E C 2.013 178.597 176.600 -0.028 0.000 0.994 14 E CA 1.559 57.902 56.400 -0.095 0.000 0.801 14 E CB -0.151 29.514 29.700 -0.058 0.000 0.743 14 E HN 0.526 nan 8.360 nan 0.000 0.453 15 E N 1.073 121.274 120.200 0.002 0.000 2.077 15 E HA -0.200 4.181 4.350 0.051 0.000 0.193 15 E C 2.054 178.690 176.600 0.060 0.000 0.989 15 E CA 0.804 57.226 56.400 0.037 0.000 0.800 15 E CB -0.045 29.688 29.700 0.055 0.000 0.746 15 E HN 0.243 nan 8.360 nan 0.000 0.452 16 L N 0.275 121.545 121.223 0.079 0.000 2.456 16 L HA -0.121 4.250 4.340 0.051 0.000 0.224 16 L C 1.964 178.910 176.870 0.127 0.000 1.148 16 L CA 0.202 55.115 54.840 0.122 0.000 0.825 16 L CB -0.044 42.125 42.059 0.184 0.000 0.937 16 L HN 0.341 nan 8.230 nan 0.000 0.450 17 C N -0.439 118.919 119.300 0.097 0.000 2.673 17 C HA 0.087 4.578 4.460 0.051 0.000 0.274 17 C C 1.636 176.663 174.990 0.062 0.000 1.276 17 C CA -0.250 58.819 59.018 0.086 0.000 1.701 17 C CB -1.198 26.574 27.740 0.054 0.000 1.836 17 C HN 0.488 nan 8.230 nan 0.000 0.596 18 T N -0.921 113.668 114.554 0.060 0.000 2.922 18 T HA 0.369 4.750 4.350 0.051 0.000 0.285 18 T C -2.923 171.808 174.700 0.053 0.000 1.005 18 T CA -1.768 60.360 62.100 0.047 0.000 1.061 18 T CB 0.836 69.728 68.868 0.040 0.000 1.007 18 T HN -0.104 nan 8.240 nan 0.000 0.502 19 P HA 0.225 nan 4.420 nan 0.000 0.261 19 P C 1.179 178.492 177.300 0.022 0.000 1.173 19 P CA 1.394 64.510 63.100 0.026 0.000 0.760 19 P CB 0.097 31.803 31.700 0.009 0.000 0.783 20 G N 1.896 110.701 108.800 0.009 0.000 2.258 20 G HA2 -0.265 3.726 3.960 0.051 0.000 0.233 20 G HA3 -0.265 3.726 3.960 0.051 0.000 0.233 20 G C 0.616 175.602 174.900 0.144 0.000 1.006 20 G CA 0.249 45.345 45.100 -0.006 0.000 0.620 20 G HN 0.476 nan 8.290 nan 0.000 0.511 21 L N -0.771 120.532 121.223 0.133 0.000 2.519 21 L HA 0.305 4.676 4.340 0.051 0.000 0.194 21 L C 0.772 177.738 176.870 0.160 0.000 1.072 21 L CA 0.520 55.456 54.840 0.159 0.000 0.845 21 L CB -0.107 42.026 42.059 0.124 0.000 1.138 21 L HN 0.117 nan 8.230 nan 0.000 0.487 22 D N 1.547 122.035 120.400 0.147 0.000 2.697 22 D HA -0.166 4.505 4.640 0.051 0.000 0.238 22 D C 0.211 176.669 176.300 0.264 0.000 1.152 22 D CA 0.507 54.623 54.000 0.195 0.000 0.666 22 D CB -0.530 40.413 40.800 0.238 0.000 1.037 22 D HN 0.382 nan 8.370 nan 0.000 0.423 23 Q N -0.906 118.971 119.800 0.127 0.000 2.237 23 Q HA 0.232 4.603 4.340 0.051 0.000 0.252 23 Q C 1.884 177.699 176.000 -0.307 0.000 0.877 23 Q CA 0.310 56.061 55.803 -0.087 0.000 1.011 23 Q CB 0.638 29.280 28.738 -0.159 0.000 1.118 23 Q HN 0.468 nan 8.270 nan 0.000 0.458 24 G N 1.276 110.035 108.800 -0.068 0.000 2.462 24 G HA2 -0.277 3.714 3.960 0.051 0.000 0.220 24 G HA3 -0.277 3.714 3.960 0.051 0.000 0.220 24 G C 1.256 176.014 174.900 -0.237 0.000 1.121 24 G CA 0.922 45.990 45.100 -0.053 0.000 0.758 24 G HN 0.596 nan 8.290 nan 0.000 0.559 25 H N 0.199 119.121 119.070 -0.245 0.000 2.518 25 H HA 0.100 4.687 4.556 0.051 0.000 0.289 25 H C 2.068 177.161 175.328 -0.392 0.000 1.051 25 H CA 0.642 56.526 56.048 -0.274 0.000 1.280 25 H CB -0.400 29.198 29.762 -0.273 0.000 1.380 25 H HN 0.356 nan 8.280 nan 0.000 0.566 26 L N -0.263 120.279 121.223 -1.136 0.000 2.313 26 L HA 0.030 4.401 4.340 0.051 0.000 0.214 26 L C 0.882 176.919 176.870 -1.389 0.000 1.119 26 L CA 0.632 54.724 54.840 -1.247 0.000 0.809 26 L CB -0.129 40.941 42.059 -1.650 0.000 0.933 26 L HN 0.129 nan 8.230 nan 0.000 0.449 27 F N -0.850 118.584 119.950 -0.860 0.000 2.791 27 F HA 0.211 4.769 4.527 0.052 0.000 0.308 27 F C 0.870 176.224 175.800 -0.743 0.000 1.138 27 F CA -0.686 56.405 58.000 -1.516 0.000 1.294 27 F CB 0.019 38.298 39.000 -1.200 0.000 0.975 27 F HN -0.064 nan 8.300 nan 0.000 0.512 28 E N 1.634 121.680 120.200 -0.257 0.000 2.491 28 E HA 0.243 4.624 4.350 0.051 0.000 0.250 28 E C 1.240 177.946 176.600 0.177 0.000 1.061 28 E CA 0.807 57.200 56.400 -0.012 0.000 0.942 28 E CB 0.020 29.718 29.700 -0.003 0.000 0.957 28 E HN 0.650 nan 8.360 nan 0.000 0.480 29 G N 3.919 112.831 108.800 0.186 0.000 2.137 29 G HA2 -0.241 3.750 3.960 0.051 0.000 0.237 29 G HA3 -0.241 3.750 3.960 0.051 0.000 0.237 29 G C -0.476 174.642 174.900 0.364 0.000 1.002 29 G CA -0.038 45.198 45.100 0.227 0.000 0.702 29 G HN 0.443 nan 8.290 nan 0.000 0.515 30 W N 1.140 122.476 121.300 0.059 0.000 2.215 30 W HA 0.583 5.273 4.660 0.051 0.000 0.342 30 W C -0.792 175.741 176.519 0.022 0.000 1.237 30 W CA -2.044 55.331 57.345 0.050 0.000 1.283 30 W CB -0.307 29.204 29.460 0.085 0.000 1.131 30 W HN 0.082 nan 8.180 nan 0.000 0.606 31 P HA -0.004 nan 4.420 nan 0.000 0.275 31 P C 0.497 177.863 177.300 0.109 0.000 1.270 31 P CA -0.036 63.127 63.100 0.106 0.000 0.791 31 P CB 0.890 32.613 31.700 0.040 0.000 1.089 32 E N -0.976 119.259 120.200 0.059 0.000 2.047 32 E HA -0.083 4.298 4.350 0.051 0.000 0.191 32 E C 0.437 177.053 176.600 0.025 0.000 0.987 32 E CA 0.978 57.401 56.400 0.037 0.000 0.799 32 E CB 0.122 29.834 29.700 0.020 0.000 0.752 32 E HN 0.452 nan 8.360 nan 0.000 0.449 33 T N -1.416 113.150 114.554 0.021 0.000 2.940 33 T HA 0.260 4.641 4.350 0.051 0.000 0.288 33 T C 1.101 175.809 174.700 0.013 0.000 1.045 33 T CA -0.551 61.554 62.100 0.009 0.000 1.018 33 T CB 1.753 70.620 68.868 -0.003 0.000 1.151 33 T HN -0.098 nan 8.240 nan 0.000 0.529 34 V N 2.060 121.976 119.914 0.003 0.000 2.343 34 V HA -0.119 4.032 4.120 0.051 0.000 0.247 34 V C 2.196 178.277 176.094 -0.021 0.000 1.051 34 V CA 2.147 64.446 62.300 -0.001 0.000 1.036 34 V CB -0.692 31.124 31.823 -0.011 0.000 0.654 34 V HN 0.806 nan 8.190 nan 0.000 0.451 35 D N 0.427 120.814 120.400 -0.021 0.000 2.133 35 D HA -0.209 4.462 4.640 0.051 0.000 0.195 35 D C 2.094 178.374 176.300 -0.033 0.000 0.997 35 D CA 1.608 55.592 54.000 -0.027 0.000 0.840 35 D CB -0.326 40.461 40.800 -0.021 0.000 0.947 35 D HN 0.613 nan 8.370 nan 0.000 0.452 36 E N -0.473 119.711 120.200 -0.027 0.000 2.347 36 E HA -0.000 4.381 4.350 0.051 0.000 0.196 36 E C 0.346 176.909 176.600 -0.062 0.000 1.008 36 E CA 0.035 56.415 56.400 -0.032 0.000 0.852 36 E CB 0.078 29.770 29.700 -0.013 0.000 0.783 36 E HN 0.187 nan 8.360 nan 0.000 0.505 37 C N 3.139 122.391 119.300 -0.080 0.000 2.644 37 C HA 0.095 4.586 4.460 0.051 0.000 0.417 37 C C 0.800 175.686 174.990 -0.174 0.000 1.304 37 C CA -1.314 57.603 59.018 -0.168 0.000 2.035 37 C CB -0.658 26.970 27.740 -0.188 0.000 2.673 37 C HN 0.455 nan 8.230 nan 0.000 0.602 38 N N 1.651 120.213 118.700 -0.231 0.000 2.347 38 N HA 0.078 4.849 4.740 0.051 0.000 0.253 38 N C 0.570 175.977 175.510 -0.171 0.000 1.274 38 N CA -0.327 52.618 53.050 -0.176 0.000 0.941 38 N CB 0.237 38.621 38.487 -0.172 0.000 1.200 38 N HN 0.689 nan 8.380 nan 0.000 0.514 39 E N -0.639 119.492 120.200 -0.116 0.000 2.160 39 E HA -0.255 4.126 4.350 0.051 0.000 0.195 39 E C 1.682 178.226 176.600 -0.094 0.000 0.991 39 E CA 1.010 57.358 56.400 -0.087 0.000 0.810 39 E CB -0.066 29.600 29.700 -0.057 0.000 0.742 39 E HN 0.592 nan 8.360 nan 0.000 0.466 40 R N 1.017 121.445 120.500 -0.119 0.000 2.066 40 R HA -0.158 4.212 4.340 0.051 0.000 0.232 40 R C 2.305 178.519 176.300 -0.144 0.000 1.131 40 R CA 1.563 57.601 56.100 -0.104 0.000 0.955 40 R CB 0.069 30.309 30.300 -0.100 0.000 0.851 40 R HN 0.151 nan 8.270 nan 0.000 0.432 41 Q N 0.152 119.746 119.800 -0.344 0.000 2.050 41 Q HA -0.156 4.215 4.340 0.051 0.000 0.202 41 Q C 2.194 178.049 176.000 -0.242 0.000 0.980 41 Q CA 1.880 57.284 55.803 -0.665 0.000 0.840 41 Q CB -0.172 27.667 28.738 -1.499 0.000 0.898 41 Q HN 0.406 nan 8.270 nan 0.000 0.424 42 I N 0.824 121.287 120.570 -0.179 0.000 2.315 42 I HA -0.331 3.870 4.170 0.051 0.000 0.251 42 I C 2.349 178.484 176.117 0.031 0.000 1.125 42 I CA 1.025 62.303 61.300 -0.037 0.000 1.392 42 I CB -0.425 37.541 38.000 -0.056 0.000 1.065 42 I HN 0.210 nan 8.210 nan 0.000 0.424 43 A N 0.598 123.428 122.820 0.016 0.000 1.897 43 A HA -0.155 4.196 4.320 0.051 0.000 0.215 43 A C 2.336 179.985 177.584 0.108 0.000 1.181 43 A CA 1.171 53.239 52.037 0.052 0.000 0.620 43 A CB -0.673 18.343 19.000 0.027 0.000 0.821 43 A HN 0.437 nan 8.150 nan 0.000 0.443 44 L N -0.655 120.659 121.223 0.151 0.000 2.056 44 L HA -0.080 4.291 4.340 0.051 0.000 0.207 44 L C 2.354 179.367 176.870 0.238 0.000 1.078 44 L CA 1.203 56.163 54.840 0.200 0.000 0.749 44 L CB -0.174 42.061 42.059 0.293 0.000 0.901 44 L HN 0.397 nan 8.230 nan 0.000 0.433 45 L N -0.908 120.513 121.223 0.329 0.000 2.083 45 L HA -0.207 4.164 4.340 0.051 0.000 0.209 45 L C 2.429 179.440 176.870 0.236 0.000 1.083 45 L CA 1.664 56.688 54.840 0.306 0.000 0.752 45 L CB -0.575 41.670 42.059 0.310 0.000 0.899 45 L HN 0.305 nan 8.230 nan 0.000 0.433 46 T N -1.320 113.344 114.554 0.183 0.000 2.746 46 T HA -0.218 4.163 4.350 0.051 0.000 0.267 46 T C 1.482 176.323 174.700 0.234 0.000 1.039 46 T CA 1.599 63.804 62.100 0.175 0.000 1.142 46 T CB -0.219 68.713 68.868 0.107 0.000 0.866 46 T HN 0.324 nan 8.240 nan 0.000 0.444 47 D N 0.935 121.457 120.400 0.204 0.000 2.117 47 D HA -0.044 4.627 4.640 0.051 0.000 0.197 47 D C 2.018 178.515 176.300 0.328 0.000 0.987 47 D CA 0.898 55.038 54.000 0.234 0.000 0.829 47 D CB -0.345 40.565 40.800 0.183 0.000 0.961 47 D HN 0.307 nan 8.370 nan 0.000 0.460 48 L N -0.777 120.587 121.223 0.235 0.000 2.056 48 L HA -0.154 4.217 4.340 0.051 0.000 0.207 48 L C 2.339 179.405 176.870 0.327 0.000 1.078 48 L CA 1.063 56.028 54.840 0.208 0.000 0.749 48 L CB -0.550 41.559 42.059 0.083 0.000 0.901 48 L HN 0.129 nan 8.230 nan 0.000 0.433 49 Y N -0.172 120.244 120.300 0.194 0.000 2.200 49 Y HA -0.228 4.353 4.550 0.051 0.000 0.290 49 Y C 2.548 178.558 175.900 0.183 0.000 1.137 49 Y CA 1.399 59.601 58.100 0.170 0.000 1.163 49 Y CB 0.103 38.636 38.460 0.121 0.000 0.988 49 Y HN 0.052 nan 8.280 nan 0.000 0.518 50 M N -0.974 118.831 119.600 0.342 0.000 2.557 50 M HA -0.152 4.359 4.480 0.051 0.000 0.259 50 M C 1.899 178.296 176.300 0.163 0.000 1.086 50 M CA 0.949 56.388 55.300 0.231 0.000 1.096 50 M CB -1.501 31.229 32.600 0.216 0.000 1.424 50 M HN 0.412 nan 8.290 nan 0.000 0.488 51 F N 1.066 121.041 119.950 0.042 0.000 2.307 51 F HA -0.209 4.349 4.527 0.051 0.000 0.301 51 F C 2.205 177.987 175.800 -0.029 0.000 1.076 51 F CA 0.912 58.889 58.000 -0.039 0.000 1.383 51 F CB 0.166 39.173 39.000 0.012 0.000 1.055 51 F HN 0.109 nan 8.300 nan 0.000 0.526 52 S N 0.549 116.240 115.700 -0.015 0.000 2.383 52 S HA -0.253 4.248 4.470 0.051 0.000 0.229 52 S C 1.254 175.775 174.600 -0.132 0.000 1.030 52 S CA 1.550 59.693 58.200 -0.095 0.000 1.002 52 S CB -0.679 62.431 63.200 -0.149 0.000 0.829 52 S HN 0.641 nan 8.310 nan 0.000 0.467 53 N N 0.286 118.923 118.700 -0.106 0.000 2.413 53 N HA 0.162 4.933 4.740 0.051 0.000 0.207 53 N C 0.673 176.101 175.510 -0.137 0.000 1.206 53 N CA 0.157 53.153 53.050 -0.090 0.000 0.832 53 N CB 0.049 38.515 38.487 -0.036 0.000 1.037 53 N HN 0.366 nan 8.380 nan 0.000 0.467 54 M N -1.754 117.696 119.600 -0.250 0.000 2.086 54 M HA 0.263 4.774 4.480 0.051 0.000 0.301 54 M C -1.176 174.876 176.300 -0.413 0.000 1.034 54 M CA -0.107 54.999 55.300 -0.325 0.000 1.122 54 M CB 0.843 33.202 32.600 -0.401 0.000 1.969 54 M HN 0.099 nan 8.290 nan 0.000 0.670 55 Y N 1.781 121.677 120.300 -0.673 0.000 2.421 55 Y HA 0.503 5.084 4.550 0.051 0.000 0.339 55 Y C -2.635 173.088 175.900 -0.296 0.000 0.996 55 Y CA -2.092 55.655 58.100 -0.588 0.000 1.046 55 Y CB 1.670 39.530 38.460 -0.999 0.000 1.226 55 Y HN -0.047 nan 8.280 nan 0.000 0.445 56 P HA 0.203 nan 4.420 nan 0.000 0.265 56 P C 0.429 177.653 177.300 -0.127 0.000 1.222 56 P CA 1.831 64.725 63.100 -0.344 0.000 0.767 56 P CB 0.513 31.966 31.700 -0.412 0.000 0.801 57 G N 2.736 111.524 108.800 -0.019 0.000 2.175 57 G HA2 -0.023 3.968 3.960 0.051 0.000 0.244 57 G HA3 -0.023 3.968 3.960 0.051 0.000 0.244 57 G C 0.642 175.639 174.900 0.163 0.000 0.982 57 G CA 0.207 45.352 45.100 0.075 0.000 0.641 57 G HN 0.947 nan 8.290 nan 0.000 0.527 58 G N -1.528 107.390 108.800 0.197 0.000 2.601 58 G HA2 -0.025 3.966 3.960 0.051 0.000 0.261 58 G HA3 -0.025 3.966 3.960 0.051 0.000 0.261 58 G C 1.216 176.417 174.900 0.502 0.000 1.289 58 G CA 1.641 46.901 45.100 0.268 0.000 0.920 58 G HN 1.657 nan 8.290 nan 0.000 0.571 59 V N 0.742 120.970 119.914 0.524 0.000 2.515 59 V HA 0.140 4.291 4.120 0.051 0.000 0.250 59 V C 3.176 179.473 176.094 0.338 0.000 1.058 59 V CA 3.203 65.782 62.300 0.465 0.000 1.064 59 V CB -0.997 31.002 31.823 0.293 0.000 0.675 59 V HN 1.911 nan 8.190 nan 0.000 0.461 60 A N -0.647 122.326 122.820 0.255 0.000 1.877 60 A HA -0.278 4.073 4.320 0.051 0.000 0.216 60 A C 2.123 179.841 177.584 0.222 0.000 1.186 60 A CA 2.136 54.293 52.037 0.199 0.000 0.620 60 A CB -0.649 18.438 19.000 0.145 0.000 0.822 60 A HN 0.604 nan 8.150 nan 0.000 0.443 61 Q N -1.794 118.164 119.800 0.263 0.000 2.172 61 Q HA -0.142 4.229 4.340 0.051 0.000 0.200 61 Q C 1.736 177.947 176.000 0.352 0.000 0.964 61 Q CA 1.762 57.728 55.803 0.272 0.000 0.855 61 Q CB -0.590 28.306 28.738 0.263 0.000 0.918 61 Q HN 0.723 nan 8.270 nan 0.000 0.444 62 Y N 0.026 120.497 120.300 0.286 0.000 2.128 62 Y HA -0.206 4.375 4.550 0.051 0.000 0.284 62 Y C 1.689 177.710 175.900 0.203 0.000 1.154 62 Y CA 1.912 60.100 58.100 0.146 0.000 1.149 62 Y CB -0.132 38.308 38.460 -0.033 0.000 0.976 62 Y HN 0.147 nan 8.280 nan 0.000 0.505 63 I N -0.131 120.601 120.570 0.270 0.000 2.179 63 I HA -0.337 3.864 4.170 0.051 0.000 0.242 63 I C 2.448 178.450 176.117 -0.190 0.000 1.088 63 I CA 1.546 62.877 61.300 0.051 0.000 1.357 63 I CB -0.404 37.646 38.000 0.083 0.000 1.051 63 I HN 0.161 nan 8.210 nan 0.000 0.409 64 R N 0.682 121.198 120.500 0.027 0.000 2.096 64 R HA -0.138 4.232 4.340 0.051 0.000 0.235 64 R C 1.987 178.306 176.300 0.033 0.000 1.127 64 R CA 1.724 57.880 56.100 0.093 0.000 0.968 64 R CB -0.646 29.730 30.300 0.127 0.000 0.861 64 R HN 0.539 nan 8.270 nan 0.000 0.440 65 N N -0.108 118.605 118.700 0.022 0.000 2.120 65 N HA -0.121 4.650 4.740 0.051 0.000 0.188 65 N C 1.983 177.439 175.510 -0.089 0.000 1.024 65 N CA 0.822 53.877 53.050 0.008 0.000 0.852 65 N CB -0.229 38.305 38.487 0.078 0.000 1.003 65 N HN 0.277 nan 8.380 nan 0.000 0.424 66 G N 0.680 109.340 108.800 -0.233 0.000 2.446 66 G HA2 -0.285 3.706 3.960 0.051 0.000 0.217 66 G HA3 -0.285 3.706 3.960 0.051 0.000 0.217 66 G C 1.012 175.681 174.900 -0.385 0.000 1.168 66 G CA 1.073 45.911 45.100 -0.437 0.000 0.771 66 G HN 0.440 nan 8.290 nan 0.000 0.551 67 H N -0.201 118.708 119.070 -0.269 0.000 2.319 67 H HA -0.058 4.529 4.556 0.052 0.000 0.299 67 H C 2.477 177.737 175.328 -0.113 0.000 1.092 67 H CA 1.506 57.438 56.048 -0.192 0.000 1.302 67 H CB 0.055 29.733 29.762 -0.141 0.000 1.373 67 H HN 0.514 nan 8.280 nan 0.000 0.497 68 E N 0.943 121.175 120.200 0.052 0.000 2.051 68 E HA -0.177 4.204 4.350 0.051 0.000 0.192 68 E C 2.025 178.634 176.600 0.015 0.000 0.991 68 E CA 1.099 57.516 56.400 0.029 0.000 0.799 68 E CB -0.046 29.671 29.700 0.028 0.000 0.748 68 E HN 0.434 nan 8.360 nan 0.000 0.449 69 L N 0.460 121.685 121.223 0.003 0.000 2.056 69 L HA -0.152 4.219 4.340 0.051 0.000 0.207 69 L C 2.645 179.532 176.870 0.028 0.000 1.078 69 L CA 0.669 55.521 54.840 0.021 0.000 0.749 69 L CB -0.342 41.730 42.059 0.021 0.000 0.901 69 L HN 0.249 nan 8.230 nan 0.000 0.433 70 L N -0.291 120.932 121.223 0.000 0.000 2.083 70 L HA -0.198 4.173 4.340 0.051 0.000 0.209 70 L C 2.875 179.777 176.870 0.054 0.000 1.083 70 L CA 1.173 56.035 54.840 0.037 0.000 0.752 70 L CB -0.666 41.394 42.059 0.002 0.000 0.899 70 L HN 0.243 nan 8.230 nan 0.000 0.433 71 A N 0.054 122.892 122.820 0.029 0.000 1.873 71 A HA -0.240 4.111 4.320 0.051 0.000 0.215 71 A C 2.423 180.019 177.584 0.019 0.000 1.186 71 A CA 1.716 53.765 52.037 0.020 0.000 0.616 71 A CB -0.573 18.430 19.000 0.004 0.000 0.823 71 A HN 0.355 nan 8.150 nan 0.000 0.442 72 R N 0.388 120.900 120.500 0.019 0.000 2.083 72 R HA -0.235 4.136 4.340 0.051 0.000 0.237 72 R C 2.052 178.364 176.300 0.020 0.000 1.137 72 R CA 2.188 58.295 56.100 0.012 0.000 0.951 72 R CB -0.300 30.010 30.300 0.016 0.000 0.851 72 R HN 0.673 nan 8.270 nan 0.000 0.434 73 E N 0.157 120.386 120.200 0.049 0.000 2.358 73 E HA -0.101 4.280 4.350 0.051 0.000 0.195 73 E C 1.585 178.226 176.600 0.069 0.000 1.010 73 E CA 1.319 57.758 56.400 0.065 0.000 0.856 73 E CB -0.058 29.704 29.700 0.104 0.000 0.795 73 E HN 0.370 nan 8.360 nan 0.000 0.504 74 S N -0.392 115.347 115.700 0.064 0.000 2.481 74 S HA -0.075 4.426 4.470 0.051 0.000 0.231 74 S C 0.837 175.444 174.600 0.012 0.000 0.996 74 S CA 0.045 58.273 58.200 0.047 0.000 0.942 74 S CB -0.290 62.934 63.200 0.041 0.000 0.768 74 S HN 0.196 nan 8.310 nan 0.000 0.520 75 E N 1.671 121.873 120.200 0.003 0.000 2.602 75 E HA 0.328 4.709 4.350 0.051 0.000 0.255 75 E C -0.456 176.130 176.600 -0.023 0.000 1.268 75 E CA -0.315 56.076 56.400 -0.016 0.000 1.007 75 E CB 0.259 29.944 29.700 -0.026 0.000 1.208 75 E HN 0.543 nan 8.360 nan 0.000 0.584 76 E N 0.524 120.701 120.200 -0.038 0.000 2.146 76 E HA 0.267 4.648 4.350 0.051 0.000 0.282 76 E C -0.643 175.911 176.600 -0.077 0.000 0.989 76 E CA -0.446 55.926 56.400 -0.046 0.000 0.799 76 E CB 1.467 31.142 29.700 -0.041 0.000 1.088 76 E HN 0.072 nan 8.360 nan 0.000 0.397 77 V N 3.104 122.966 119.914 -0.086 0.000 2.655 77 V HA 0.130 4.280 4.120 0.051 0.000 0.300 77 V C 0.003 175.993 176.094 -0.174 0.000 1.044 77 V CA 0.364 62.571 62.300 -0.155 0.000 1.095 77 V CB 0.678 32.422 31.823 -0.131 0.000 0.952 77 V HN 0.765 nan 8.190 nan 0.000 0.485 78 D N 2.503 122.716 120.400 -0.311 0.000 2.745 78 D HA 0.448 5.119 4.640 0.051 0.000 0.221 78 D C -1.377 174.690 176.300 -0.387 0.000 1.237 78 D CA -0.437 53.428 54.000 -0.225 0.000 0.781 78 D CB 1.222 41.963 40.800 -0.098 0.000 1.575 78 D HN 0.210 nan 8.370 nan 0.000 0.482 79 F N 1.153 121.090 119.950 -0.023 0.000 2.458 79 F HA 0.614 5.172 4.527 0.051 0.000 0.330 79 F C 1.528 177.301 175.800 -0.045 0.000 1.082 79 F CA -0.768 57.212 58.000 -0.033 0.000 0.995 79 F CB 1.923 40.913 39.000 -0.015 0.000 1.170 79 F HN 0.478 nan 8.300 nan 0.000 0.478 80 A N 1.869 124.744 122.820 0.092 0.000 2.119 80 A HA 0.519 4.870 4.320 0.051 0.000 0.217 80 A C 0.708 178.291 177.584 -0.001 0.000 1.153 80 A CA 1.105 53.149 52.037 0.011 0.000 0.692 80 A CB -0.411 18.559 19.000 -0.050 0.000 0.799 80 A HN 0.783 nan 8.150 nan 0.000 0.458 81 A N -1.294 121.531 122.820 0.008 0.000 2.547 81 A HA 0.656 5.007 4.320 0.051 0.000 0.297 81 A C -1.582 176.067 177.584 0.108 0.000 1.056 81 A CA -0.371 51.655 52.037 -0.017 0.000 0.688 81 A CB 1.189 19.944 19.000 -0.409 0.000 1.282 81 A HN 0.911 nan 8.150 nan 0.000 0.400 82 L N 1.637 123.007 121.223 0.245 0.000 2.614 82 L HA 0.727 5.098 4.340 0.051 0.000 0.264 82 L C -0.569 176.393 176.870 0.154 0.000 0.940 82 L CA 0.167 55.089 54.840 0.137 0.000 0.903 82 L CB 1.677 43.747 42.059 0.018 0.000 1.306 82 L HN 1.081 nan 8.230 nan 0.000 0.410 83 E N 3.611 123.774 120.200 -0.061 0.000 2.415 83 E HA 0.409 4.790 4.350 0.051 0.000 0.271 83 E C -1.277 175.103 176.600 -0.368 0.000 1.094 83 E CA -1.143 55.207 56.400 -0.084 0.000 0.881 83 E CB 1.185 30.849 29.700 -0.061 0.000 1.581 83 E HN 0.469 nan 8.360 nan 0.000 0.460 84 M N 1.629 121.203 119.600 -0.043 0.000 2.252 84 M HA 0.246 4.757 4.480 0.051 0.000 0.348 84 M C -2.369 173.767 176.300 -0.273 0.000 1.334 84 M CA -1.381 53.877 55.300 -0.069 0.000 1.071 84 M CB 0.427 33.067 32.600 0.067 0.000 1.763 84 M HN 0.277 nan 8.290 nan 0.000 0.452 85 P HA 0.097 nan 4.420 nan 0.000 0.265 85 P C -2.300 174.839 177.300 -0.269 0.000 1.193 85 P CA -0.803 62.122 63.100 -0.291 0.000 0.765 85 P CB 0.080 31.622 31.700 -0.264 0.000 0.823 86 P HA -0.049 nan 4.420 nan 0.000 0.216 86 P C 0.129 177.259 177.300 -0.283 0.000 1.153 86 P CA 1.338 64.288 63.100 -0.249 0.000 0.848 86 P CB 0.083 31.660 31.700 -0.206 0.000 0.787 87 L N 0.273 121.350 121.223 -0.243 0.000 2.449 87 L HA 0.243 4.614 4.340 0.051 0.000 0.255 87 L C -0.197 176.390 176.870 -0.471 0.000 1.167 87 L CA -0.425 54.220 54.840 -0.324 0.000 1.090 87 L CB -0.223 41.881 42.059 0.075 0.000 1.385 87 L HN -0.079 nan 8.230 nan 0.000 0.411 88 I N 1.691 121.816 120.570 -0.740 0.000 2.404 88 I HA 0.453 4.654 4.170 0.051 0.000 0.293 88 I C -0.326 175.264 176.117 -0.877 0.000 0.992 88 I CA -0.410 60.556 61.300 -0.557 0.000 1.149 88 I CB 1.584 39.390 38.000 -0.323 0.000 1.315 88 I HN 0.149 nan 8.210 nan 0.000 0.446 89 F N 3.456 123.298 119.950 -0.181 0.000 2.547 89 F HA 0.389 4.947 4.527 0.051 0.000 0.316 89 F C 0.535 176.219 175.800 -0.194 0.000 1.121 89 F CA -0.781 57.099 58.000 -0.200 0.000 0.911 89 F CB 1.627 40.489 39.000 -0.230 0.000 1.179 89 F HN 0.327 nan 8.300 nan 0.000 0.443 90 E N 2.122 122.307 120.200 -0.026 0.000 2.200 90 E HA 0.554 4.935 4.350 0.051 0.000 0.283 90 E C -0.502 176.014 176.600 -0.140 0.000 1.015 90 E CA -0.634 55.700 56.400 -0.110 0.000 0.819 90 E CB 1.768 31.414 29.700 -0.089 0.000 1.081 90 E HN 0.659 nan 8.360 nan 0.000 0.397 91 A N 5.335 127.969 122.820 -0.310 0.000 2.354 91 A HA 0.396 4.747 4.320 0.051 0.000 0.269 91 A C -1.964 175.528 177.584 -0.153 0.000 1.109 91 A CA -1.250 50.591 52.037 -0.326 0.000 0.800 91 A CB 0.002 18.515 19.000 -0.812 0.000 1.045 91 A HN 0.391 nan 8.150 nan 0.000 0.489 92 P HA 0.105 nan 4.420 nan 0.000 0.272 92 P C 0.239 177.528 177.300 -0.020 0.000 1.230 92 P CA -0.184 62.892 63.100 -0.041 0.000 0.788 92 P CB 0.621 32.306 31.700 -0.024 0.000 0.949 93 S N 0.326 115.990 115.700 -0.061 0.000 2.563 93 S HA -0.000 4.501 4.470 0.051 0.000 0.284 93 S C 1.425 175.994 174.600 -0.051 0.000 1.331 93 S CA -0.505 57.638 58.200 -0.094 0.000 1.047 93 S CB -0.348 62.654 63.200 -0.330 0.000 0.859 93 S HN 0.398 nan 8.310 nan 0.000 0.514 94 L N 2.954 124.204 121.223 0.044 0.000 2.492 94 L HA 0.294 4.665 4.340 0.051 0.000 0.223 94 L C 1.281 178.205 176.870 0.090 0.000 1.132 94 L CA 1.399 56.302 54.840 0.105 0.000 0.850 94 L CB -1.095 41.077 42.059 0.187 0.000 0.966 94 L HN 0.890 nan 8.230 nan 0.000 0.454 95 H N -1.818 117.283 119.070 0.052 0.000 2.505 95 H HA 0.532 5.120 4.556 0.053 0.000 0.286 95 H C -0.143 175.187 175.328 0.004 0.000 1.072 95 H CA -0.680 55.377 56.048 0.016 0.000 1.141 95 H CB 0.067 29.819 29.762 -0.017 0.000 1.550 95 H HN 0.235 nan 8.280 nan 0.000 0.547 96 R N 1.146 121.528 120.500 -0.198 0.000 2.435 96 R HA 0.290 4.661 4.340 0.051 0.000 0.308 96 R C -0.582 175.687 176.300 -0.051 0.000 0.975 96 R CA -0.706 55.318 56.100 -0.127 0.000 0.867 96 R CB 1.653 31.828 30.300 -0.208 0.000 1.171 96 R HN 0.196 nan 8.270 nan 0.000 0.470 97 R N 2.661 123.153 120.500 -0.014 0.000 4.556 97 R HA 0.038 4.408 4.340 0.051 0.000 0.197 97 R C -0.043 176.255 176.300 -0.003 0.000 1.791 97 R CA 0.046 56.146 56.100 0.000 0.000 1.526 97 R CB -0.250 30.056 30.300 0.011 0.000 1.410 97 R HN 0.618 nan 8.270 nan 0.000 0.826 98 T N -2.452 112.095 114.554 -0.011 0.000 2.816 98 T HA 0.265 4.646 4.350 0.051 0.000 0.282 98 T C 1.575 176.274 174.700 -0.001 0.000 0.993 98 T CA -0.282 61.813 62.100 -0.009 0.000 0.994 98 T CB 1.643 70.501 68.868 -0.017 0.000 1.025 98 T HN 0.289 nan 8.240 nan 0.000 0.529 99 A N 0.001 122.820 122.820 -0.001 0.000 1.908 99 A HA -0.126 4.225 4.320 0.051 0.000 0.218 99 A C 2.311 179.896 177.584 0.002 0.000 1.181 99 A CA 1.985 54.023 52.037 0.001 0.000 0.627 99 A CB -1.141 17.859 19.000 0.000 0.000 0.818 99 A HN 1.035 nan 8.150 nan 0.000 0.445 100 E N -0.671 119.528 120.200 -0.000 0.000 2.047 100 E HA -0.259 4.121 4.350 0.051 0.000 0.191 100 E C 2.284 178.888 176.600 0.006 0.000 0.987 100 E CA 1.348 57.748 56.400 0.001 0.000 0.799 100 E CB -0.109 29.591 29.700 -0.001 0.000 0.752 100 E HN 0.435 nan 8.360 nan 0.000 0.449 101 R N 0.368 120.872 120.500 0.007 0.000 2.083 101 R HA -0.108 4.263 4.340 0.051 0.000 0.237 101 R C 2.243 178.560 176.300 0.028 0.000 1.137 101 R CA 2.391 58.503 56.100 0.020 0.000 0.951 101 R CB -1.001 29.307 30.300 0.012 0.000 0.851 101 R HN 0.144 nan 8.270 nan 0.000 0.434 102 T N 0.351 114.918 114.554 0.021 0.000 2.652 102 T HA -0.181 4.200 4.350 0.051 0.000 0.267 102 T C 1.771 176.484 174.700 0.022 0.000 1.039 102 T CA 1.785 63.899 62.100 0.023 0.000 1.153 102 T CB -0.642 68.236 68.868 0.017 0.000 0.863 102 T HN 0.468 nan 8.240 nan 0.000 0.428 103 A N 1.114 123.942 122.820 0.013 0.000 1.883 103 A HA -0.031 4.320 4.320 0.051 0.000 0.217 103 A C 2.350 179.940 177.584 0.010 0.000 1.186 103 A CA 1.370 53.411 52.037 0.006 0.000 0.624 103 A CB -0.904 18.094 19.000 -0.003 0.000 0.822 103 A HN 0.484 nan 8.150 nan 0.000 0.444 104 L N -0.877 120.356 121.223 0.016 0.000 2.017 104 L HA -0.204 4.167 4.340 0.051 0.000 0.208 104 L C 2.674 179.574 176.870 0.049 0.000 1.073 104 L CA 1.670 56.526 54.840 0.026 0.000 0.745 104 L CB -0.714 41.365 42.059 0.034 0.000 0.894 104 L HN 0.481 nan 8.230 nan 0.000 0.432 105 E N 0.562 120.798 120.200 0.060 0.000 2.058 105 E HA -0.257 4.124 4.350 0.051 0.000 0.194 105 E C 1.808 178.447 176.600 0.065 0.000 0.997 105 E CA 1.860 58.306 56.400 0.077 0.000 0.801 105 E CB -0.311 29.436 29.700 0.078 0.000 0.746 105 E HN 0.724 nan 8.360 nan 0.000 0.450 106 N N 0.247 118.973 118.700 0.044 0.000 2.354 106 N HA -0.026 4.745 4.740 0.051 0.000 0.179 106 N C 1.963 177.487 175.510 0.022 0.000 1.021 106 N CA 0.703 53.773 53.050 0.033 0.000 0.887 106 N CB -0.027 38.474 38.487 0.023 0.000 0.974 106 N HN 0.013 nan 8.380 nan 0.000 0.437 107 A N 1.247 124.077 122.820 0.017 0.000 1.873 107 A HA 0.089 4.440 4.320 0.051 0.000 0.215 107 A C 2.418 180.010 177.584 0.015 0.000 1.186 107 A CA 1.479 53.520 52.037 0.005 0.000 0.616 107 A CB -1.363 17.632 19.000 -0.008 0.000 0.823 107 A HN 0.452 nan 8.150 nan 0.000 0.442 108 G N -1.123 107.698 108.800 0.036 0.000 2.422 108 G HA2 -0.124 3.867 3.960 0.051 0.000 0.218 108 G HA3 -0.124 3.867 3.960 0.051 0.000 0.218 108 G C 1.541 176.480 174.900 0.064 0.000 1.146 108 G CA 1.634 46.769 45.100 0.058 0.000 0.769 108 G HN 0.427 nan 8.290 nan 0.000 0.547 109 T N 1.644 116.237 114.554 0.065 0.000 2.746 109 T HA 0.025 4.406 4.350 0.051 0.000 0.267 109 T C 2.826 177.535 174.700 0.016 0.000 1.039 109 T CA 1.425 63.558 62.100 0.055 0.000 1.142 109 T CB -0.344 68.558 68.868 0.056 0.000 0.866 109 T HN 0.367 nan 8.240 nan 0.000 0.444 110 A N 1.657 124.481 122.820 0.007 0.000 1.908 110 A HA -0.083 4.268 4.320 0.051 0.000 0.218 110 A C 2.313 179.884 177.584 -0.022 0.000 1.181 110 A CA 1.621 53.651 52.037 -0.012 0.000 0.627 110 A CB -0.722 18.269 19.000 -0.014 0.000 0.818 110 A HN 0.486 nan 8.150 nan 0.000 0.445 111 M N -0.609 118.983 119.600 -0.013 0.000 2.279 111 M HA -0.053 4.458 4.480 0.051 0.000 0.264 111 M C 1.841 178.123 176.300 -0.030 0.000 1.062 111 M CA 0.948 56.233 55.300 -0.025 0.000 1.099 111 M CB -0.490 32.100 32.600 -0.016 0.000 1.394 111 M HN 0.340 nan 8.290 nan 0.000 0.426 112 L N -0.713 120.508 121.223 -0.004 0.000 2.261 112 L HA -0.232 4.139 4.340 0.051 0.000 0.216 112 L C 2.338 179.208 176.870 -0.000 0.000 1.114 112 L CA 0.668 55.513 54.840 0.008 0.000 0.777 112 L CB -0.662 41.403 42.059 0.010 0.000 0.910 112 L HN 0.445 nan 8.230 nan 0.000 0.440 113 C N -0.284 119.000 119.300 -0.027 0.000 2.432 113 C HA -0.105 4.385 4.460 0.051 0.000 0.282 113 C C 1.869 176.815 174.990 -0.075 0.000 1.388 113 C CA 0.659 59.655 59.018 -0.037 0.000 1.777 113 C CB -0.853 26.850 27.740 -0.063 0.000 1.882 113 C HN 0.372 nan 8.230 nan 0.000 0.520 114 K N -0.036 120.309 120.400 -0.092 0.000 2.758 114 K HA 0.140 4.491 4.320 0.051 0.000 0.208 114 K C -0.377 176.257 176.600 0.057 0.000 1.091 114 K CA 0.087 56.273 56.287 -0.167 0.000 1.059 114 K CB 0.735 33.112 32.500 -0.205 0.000 0.801 114 K HN 0.240 nan 8.250 nan 0.000 0.470 115 T N 1.017 115.575 114.554 0.008 0.000 2.797 115 T HA 0.285 4.666 4.350 0.051 0.000 0.279 115 T C -0.160 174.168 174.700 -0.620 0.000 0.991 115 T CA -0.495 61.398 62.100 -0.344 0.000 0.979 115 T CB 2.079 70.574 68.868 -0.620 0.000 0.943 115 T HN -0.168 nan 8.240 nan 0.000 0.444 116 V N 4.394 123.831 119.914 -0.794 0.000 2.465 116 V HA 0.456 4.607 4.120 0.051 0.000 0.279 116 V C -0.579 174.855 176.094 -1.100 0.000 1.045 116 V CA -0.567 61.105 62.300 -1.047 0.000 0.938 116 V CB 0.326 31.316 31.823 -1.388 0.000 0.986 116 V HN 0.733 nan 8.190 nan 0.000 0.467 117 F N 3.357 122.868 119.950 -0.732 0.000 2.443 117 F HA 0.666 5.224 4.527 0.052 0.000 0.335 117 F C 0.033 175.188 175.800 -1.074 0.000 1.104 117 F CA -0.791 56.701 58.000 -0.846 0.000 1.013 117 F CB 1.886 40.356 39.000 -0.883 0.000 1.136 117 F HN 0.145 nan 8.300 nan 0.000 0.470 118 V N 4.653 124.107 119.914 -0.767 0.000 2.483 118 V HA 0.373 4.524 4.120 0.051 0.000 0.297 118 V C -0.994 174.869 176.094 -0.386 0.000 1.027 118 V CA -0.706 61.207 62.300 -0.645 0.000 0.855 118 V CB 1.769 33.063 31.823 -0.882 0.000 0.995 118 V HN 0.528 nan 8.190 nan 0.000 0.424 119 L N 6.530 127.636 121.223 -0.196 0.000 2.287 119 L HA 0.630 5.000 4.340 0.051 0.000 0.287 119 L C -0.337 176.575 176.870 0.069 0.000 1.022 119 L CA 0.013 54.846 54.840 -0.012 0.000 0.814 119 L CB 1.663 43.858 42.059 0.226 0.000 1.217 119 L HN 0.435 nan 8.230 nan 0.000 0.420 120 V N 5.999 125.949 119.914 0.059 0.000 2.353 120 V HA 0.628 4.778 4.120 0.051 0.000 0.264 120 V C 0.572 176.729 176.094 0.105 0.000 1.049 120 V CA 0.227 62.585 62.300 0.096 0.000 0.896 120 V CB 0.739 32.612 31.823 0.084 0.000 1.025 120 V HN 0.941 nan 8.190 nan 0.000 0.475 121 A N 4.023 126.920 122.820 0.127 0.000 3.355 121 A HA 0.609 4.960 4.320 0.051 0.000 0.290 121 A C 0.857 178.516 177.584 0.124 0.000 0.973 121 A CA 0.152 52.266 52.037 0.127 0.000 0.933 121 A CB 0.417 19.506 19.000 0.147 0.000 1.138 121 A HN 0.838 nan 8.150 nan 0.000 0.490 122 G N -0.022 108.850 108.800 0.119 0.000 3.820 122 G HA2 0.478 4.469 3.960 0.051 0.000 0.293 122 G HA3 0.478 4.469 3.960 0.051 0.000 0.293 122 G C 0.383 175.340 174.900 0.094 0.000 1.152 122 G CA 0.384 45.550 45.100 0.110 0.000 0.921 122 G HN 0.971 nan 8.290 nan 0.000 0.544 123 G N -0.093 108.761 108.800 0.091 0.000 2.571 123 G HA2 0.575 4.566 3.960 0.051 0.000 0.304 123 G HA3 0.575 4.566 3.960 0.051 0.000 0.304 123 G C -0.513 174.435 174.900 0.080 0.000 1.314 123 G CA -0.756 44.391 45.100 0.080 0.000 0.975 123 G HN 0.183 nan 8.290 nan 0.000 0.485 124 L N 0.678 121.942 121.223 0.069 0.000 2.439 124 L HA 0.532 4.903 4.340 0.051 0.000 0.259 124 L C 1.460 178.390 176.870 0.100 0.000 1.129 124 L CA -0.737 54.146 54.840 0.072 0.000 0.803 124 L CB 1.460 43.537 42.059 0.030 0.000 1.161 124 L HN 0.663 nan 8.230 nan 0.000 0.462 125 G N -0.366 108.534 108.800 0.166 0.000 3.591 125 G HA2 0.088 4.079 3.960 0.051 0.000 0.282 125 G HA3 0.088 4.079 3.960 0.051 0.000 0.282 125 G C 0.845 175.837 174.900 0.153 0.000 1.238 125 G CA -0.285 44.934 45.100 0.199 0.000 0.993 125 G HN 0.778 nan 8.290 nan 0.000 0.542 126 E N 0.546 120.796 120.200 0.083 0.000 2.058 126 E HA -0.178 4.203 4.350 0.051 0.000 0.194 126 E C 2.310 178.946 176.600 0.060 0.000 0.997 126 E CA 0.453 56.885 56.400 0.054 0.000 0.801 126 E CB -0.074 29.643 29.700 0.028 0.000 0.746 126 E HN 0.273 nan 8.360 nan 0.000 0.450 127 R N 1.322 121.857 120.500 0.058 0.000 2.200 127 R HA -0.136 4.235 4.340 0.051 0.000 0.234 127 R C 2.108 178.442 176.300 0.056 0.000 1.127 127 R CA 0.889 57.021 56.100 0.053 0.000 0.989 127 R CB -0.264 30.067 30.300 0.052 0.000 0.869 127 R HN 0.246 nan 8.270 nan 0.000 0.459 128 L N -1.398 119.865 121.223 0.068 0.000 2.341 128 L HA 0.115 4.486 4.340 0.051 0.000 0.214 128 L C 1.369 178.280 176.870 0.069 0.000 1.115 128 L CA 0.853 55.730 54.840 0.062 0.000 0.820 128 L CB 0.058 42.151 42.059 0.057 0.000 0.944 128 L HN 0.473 nan 8.230 nan 0.000 0.452 129 G N -1.064 107.788 108.800 0.087 0.000 2.143 129 G HA2 -0.303 3.688 3.960 0.051 0.000 0.175 129 G HA3 -0.303 3.688 3.960 0.051 0.000 0.175 129 G C -0.252 174.731 174.900 0.138 0.000 1.004 129 G CA -0.553 44.596 45.100 0.081 0.000 0.671 129 G HN 0.252 nan 8.290 nan 0.000 0.512 130 Y N 1.287 121.582 120.300 -0.008 0.000 2.328 130 Y HA 0.548 5.129 4.550 0.052 0.000 0.333 130 Y C 1.264 177.162 175.900 -0.003 0.000 0.958 130 Y CA -0.151 57.943 58.100 -0.010 0.000 1.167 130 Y CB 1.807 40.260 38.460 -0.013 0.000 1.151 130 Y HN 0.023 nan 8.280 nan 0.000 0.470 131 S N 2.030 117.492 115.700 -0.397 0.000 2.522 131 S HA -0.010 4.491 4.470 0.051 0.000 0.227 131 S C 0.491 174.854 174.600 -0.396 0.000 0.986 131 S CA 0.503 58.519 58.200 -0.307 0.000 0.929 131 S CB 0.003 63.069 63.200 -0.223 0.000 0.769 131 S HN 0.570 nan 8.310 nan 0.000 0.529 132 S N 0.963 116.177 115.700 -0.810 0.000 2.748 132 S HA 0.564 5.065 4.470 0.051 0.000 0.299 132 S C 0.223 174.742 174.600 -0.136 0.000 1.119 132 S CA -0.942 56.967 58.200 -0.486 0.000 0.997 132 S CB 0.586 63.471 63.200 -0.525 0.000 1.223 132 S HN 0.465 nan 8.310 nan 0.000 0.541 133 I N -0.196 120.398 120.570 0.040 0.000 2.634 133 I HA 0.270 4.471 4.170 0.051 0.000 0.284 133 I C 0.837 177.110 176.117 0.261 0.000 1.124 133 I CA -0.397 60.984 61.300 0.134 0.000 1.417 133 I CB 0.496 38.555 38.000 0.098 0.000 1.396 133 I HN 0.532 nan 8.210 nan 0.000 0.571 134 K N 3.611 124.124 120.400 0.189 0.000 2.147 134 K HA -0.090 4.261 4.320 0.051 0.000 0.205 134 K C 1.809 178.467 176.600 0.097 0.000 1.049 134 K CA 1.643 58.009 56.287 0.132 0.000 0.936 134 K CB -0.256 32.270 32.500 0.044 0.000 0.722 134 K HN 0.844 nan 8.250 nan 0.000 0.446 135 V N -0.570 119.423 119.914 0.131 0.000 3.305 135 V HA -0.098 4.053 4.120 0.051 0.000 0.269 135 V C 1.840 178.028 176.094 0.156 0.000 1.157 135 V CA 1.698 64.100 62.300 0.169 0.000 1.157 135 V CB -0.474 31.464 31.823 0.191 0.000 0.772 135 V HN 0.226 nan 8.190 nan 0.000 0.498 136 S N -0.422 115.375 115.700 0.161 0.000 2.558 136 S HA 0.294 4.795 4.470 0.051 0.000 0.217 136 S C 0.664 175.318 174.600 0.091 0.000 0.975 136 S CA -0.265 58.020 58.200 0.142 0.000 0.912 136 S CB -0.661 62.654 63.200 0.192 0.000 0.776 136 S HN 0.568 nan 8.310 nan 0.000 0.526 137 L N 3.261 124.503 121.223 0.032 0.000 2.456 137 L HA 0.299 4.670 4.340 0.051 0.000 0.272 137 L C -2.136 174.674 176.870 -0.100 0.000 1.189 137 L CA -1.882 52.867 54.840 -0.152 0.000 0.846 137 L CB 0.318 42.291 42.059 -0.145 0.000 1.111 137 L HN 0.119 nan 8.230 nan 0.000 0.475 138 P HA 0.048 nan 4.420 nan 0.000 0.279 138 P C 0.693 177.650 177.300 -0.571 0.000 1.239 138 P CA -0.355 62.541 63.100 -0.340 0.000 0.789 138 P CB 1.412 32.962 31.700 -0.251 0.000 0.933 139 V N 1.435 120.775 119.914 -0.957 0.000 2.515 139 V HA -0.162 3.989 4.120 0.051 0.000 0.250 139 V C 0.899 176.462 176.094 -0.885 0.000 1.058 139 V CA 2.004 63.517 62.300 -1.312 0.000 1.064 139 V CB -1.240 29.541 31.823 -1.736 0.000 0.675 139 V HN 0.732 nan 8.190 nan 0.000 0.461 140 E N -2.235 117.572 120.200 -0.655 0.000 2.390 140 E HA 0.327 4.708 4.350 0.051 0.000 0.280 140 E C -0.008 176.501 176.600 -0.152 0.000 0.992 140 E CA 0.015 56.176 56.400 -0.400 0.000 0.790 140 E CB 0.856 30.280 29.700 -0.460 0.000 1.248 140 E HN 0.037 nan 8.360 nan 0.000 0.447 141 T N -2.072 112.492 114.554 0.017 0.000 3.107 141 T HA 0.343 4.724 4.350 0.051 0.000 0.249 141 T C 1.413 176.178 174.700 0.107 0.000 1.096 141 T CA 0.369 62.487 62.100 0.031 0.000 1.012 141 T CB 0.007 68.891 68.868 0.027 0.000 0.977 141 T HN 0.540 nan 8.240 nan 0.000 0.527 142 A N 2.569 125.548 122.820 0.266 0.000 1.877 142 A HA -0.024 4.327 4.320 0.051 0.000 0.216 142 A C 2.615 180.374 177.584 0.291 0.000 1.186 142 A CA 2.110 54.388 52.037 0.403 0.000 0.620 142 A CB -1.135 18.133 19.000 0.445 0.000 0.822 142 A HN 0.684 nan 8.150 nan 0.000 0.443 143 T N -5.813 108.840 114.554 0.167 0.000 2.990 143 T HA 0.127 4.507 4.350 0.051 0.000 0.250 143 T C 0.682 175.390 174.700 0.014 0.000 1.041 143 T CA 0.682 62.840 62.100 0.097 0.000 1.010 143 T CB -0.070 68.844 68.868 0.077 0.000 1.003 143 T HN 0.412 nan 8.240 nan 0.000 0.499 144 N N 0.942 119.621 118.700 -0.035 0.000 2.828 144 N HA -0.123 4.647 4.740 0.051 0.000 0.248 144 N C -0.578 174.857 175.510 -0.125 0.000 1.044 144 N CA 1.270 54.268 53.050 -0.087 0.000 0.851 144 N CB -2.188 36.268 38.487 -0.052 0.000 1.136 144 N HN 0.545 nan 8.380 nan 0.000 0.572 145 T N 1.774 116.242 114.554 -0.145 0.000 2.822 145 T HA 0.129 4.510 4.350 0.051 0.000 0.288 145 T C 1.208 175.749 174.700 -0.265 0.000 0.991 145 T CA 0.725 62.728 62.100 -0.162 0.000 1.176 145 T CB 0.434 69.218 68.868 -0.140 0.000 0.951 145 T HN 0.343 nan 8.240 nan 0.000 0.526 146 T N 1.902 116.345 114.554 -0.185 0.000 2.860 146 T HA 0.172 4.552 4.350 0.051 0.000 0.299 146 T C 1.036 175.577 174.700 -0.265 0.000 1.045 146 T CA -0.621 61.365 62.100 -0.190 0.000 1.071 146 T CB 0.395 69.226 68.868 -0.061 0.000 0.985 146 T HN 0.486 nan 8.240 nan 0.000 0.537 147 Y N 0.605 120.754 120.300 -0.253 0.000 2.151 147 Y HA -0.081 4.499 4.550 0.050 0.000 0.284 147 Y C 2.318 178.036 175.900 -0.302 0.000 1.166 147 Y CA 1.514 59.380 58.100 -0.391 0.000 1.163 147 Y CB -0.587 37.694 38.460 -0.299 0.000 0.974 147 Y HN 0.559 nan 8.280 nan 0.000 0.511 148 L N 0.033 121.297 121.223 0.068 0.000 1.989 148 L HA -0.210 4.161 4.340 0.051 0.000 0.211 148 L C 2.396 179.282 176.870 0.025 0.000 1.071 148 L CA 2.189 57.094 54.840 0.107 0.000 0.749 148 L CB -1.182 40.925 42.059 0.080 0.000 0.890 148 L HN 0.148 nan 8.230 nan 0.000 0.431 149 A N -1.759 121.047 122.820 -0.023 0.000 1.930 149 A HA -0.271 4.080 4.320 0.051 0.000 0.217 149 A C 2.289 179.857 177.584 -0.027 0.000 1.175 149 A CA 1.666 53.680 52.037 -0.039 0.000 0.627 149 A CB -1.181 17.793 19.000 -0.042 0.000 0.815 149 A HN 0.641 nan 8.150 nan 0.000 0.443 150 Y N -0.450 119.726 120.300 -0.206 0.000 2.097 150 Y HA -0.313 4.270 4.550 0.054 0.000 0.282 150 Y C 2.208 178.072 175.900 -0.060 0.000 1.152 150 Y CA 2.215 60.178 58.100 -0.228 0.000 1.136 150 Y CB -0.575 37.593 38.460 -0.486 0.000 0.975 150 Y HN 0.389 nan 8.280 nan 0.000 0.498 151 Y N -0.267 120.094 120.300 0.102 0.000 2.145 151 Y HA -0.215 4.366 4.550 0.052 0.000 0.286 151 Y C 2.512 178.416 175.900 0.006 0.000 1.145 151 Y CA 1.392 59.549 58.100 0.095 0.000 1.148 151 Y CB -1.082 37.535 38.460 0.260 0.000 0.981 151 Y HN 0.147 nan 8.280 nan 0.000 0.507 152 L N -0.641 120.578 121.223 -0.007 0.000 2.056 152 L HA -0.185 4.185 4.340 0.051 0.000 0.207 152 L C 2.549 179.321 176.870 -0.164 0.000 1.078 152 L CA 1.257 55.925 54.840 -0.287 0.000 0.749 152 L CB -0.392 41.455 42.059 -0.355 0.000 0.901 152 L HN 0.132 nan 8.230 nan 0.000 0.433 153 R N -1.200 119.246 120.500 -0.090 0.000 2.090 153 R HA -0.199 4.171 4.340 0.051 0.000 0.228 153 R C 2.065 178.334 176.300 -0.050 0.000 1.110 153 R CA 1.610 57.667 56.100 -0.071 0.000 0.973 153 R CB -0.469 29.803 30.300 -0.047 0.000 0.869 153 R HN 0.401 nan 8.270 nan 0.000 0.440 154 W N 1.723 122.884 121.300 -0.231 0.000 2.355 154 W HA -0.180 4.512 4.660 0.054 0.000 0.309 154 W C 2.234 178.618 176.519 -0.224 0.000 1.206 154 W CA 1.862 59.066 57.345 -0.236 0.000 1.284 154 W CB -0.389 28.877 29.460 -0.323 0.000 1.145 154 W HN 0.078 nan 8.180 nan 0.000 0.502 155 A N 0.106 122.740 122.820 -0.311 0.000 1.908 155 A HA -0.287 4.064 4.320 0.051 0.000 0.218 155 A C 1.923 179.289 177.584 -0.364 0.000 1.181 155 A CA 2.062 53.720 52.037 -0.632 0.000 0.627 155 A CB -0.964 17.820 19.000 -0.360 0.000 0.818 155 A HN 0.557 nan 8.150 nan 0.000 0.445 156 Q N -1.555 118.116 119.800 -0.216 0.000 2.224 156 Q HA -0.144 4.227 4.340 0.051 0.000 0.203 156 Q C 2.320 178.231 176.000 -0.148 0.000 0.970 156 Q CA 1.206 56.928 55.803 -0.136 0.000 0.865 156 Q CB -0.072 28.604 28.738 -0.103 0.000 0.922 156 Q HN 0.508 nan 8.270 nan 0.000 0.445 157 R N 0.567 120.946 120.500 -0.202 0.000 2.062 157 R HA -0.114 4.257 4.340 0.051 0.000 0.231 157 R C 2.096 178.261 176.300 -0.225 0.000 1.136 157 R CA 1.678 57.669 56.100 -0.181 0.000 0.948 157 R CB -0.606 29.601 30.300 -0.156 0.000 0.845 157 R HN 0.277 nan 8.270 nan 0.000 0.430 158 V N -2.909 116.765 119.914 -0.401 0.000 2.951 158 V HA 0.290 4.441 4.120 0.051 0.000 0.255 158 V C 1.484 177.470 176.094 -0.180 0.000 1.088 158 V CA 1.623 63.714 62.300 -0.348 0.000 1.109 158 V CB 0.077 31.536 31.823 -0.606 0.000 0.724 158 V HN 0.294 nan 8.190 nan 0.000 0.471 159 G N -0.894 107.824 108.800 -0.136 0.000 3.377 159 G HA2 0.534 4.525 3.960 0.051 0.000 0.257 159 G HA3 0.534 4.525 3.960 0.051 0.000 0.257 159 G C 0.795 175.708 174.900 0.022 0.000 1.038 159 G CA 0.400 45.508 45.100 0.013 0.000 0.809 159 G HN 1.444 nan 8.290 nan 0.000 0.526 160 G N 0.371 109.153 108.800 -0.030 0.000 2.814 160 G HA2 -0.246 3.745 3.960 0.051 0.000 0.677 160 G HA3 -0.246 3.745 3.960 0.051 0.000 0.677 160 G C 0.626 175.523 174.900 -0.006 0.000 1.429 160 G CA 0.185 45.277 45.100 -0.013 0.000 0.868 160 G HN 0.373 nan 8.290 nan 0.000 0.553 161 K N -0.012 120.384 120.400 -0.007 0.000 2.103 161 K HA -0.123 4.228 4.320 0.051 0.000 0.207 161 K C 1.755 178.362 176.600 0.012 0.000 1.048 161 K CA 2.128 58.409 56.287 -0.009 0.000 0.930 161 K CB -0.081 32.414 32.500 -0.009 0.000 0.716 161 K HN 0.462 nan 8.250 nan 0.000 0.444 162 E N 0.698 120.922 120.200 0.040 0.000 2.403 162 E HA 0.019 4.400 4.350 0.051 0.000 0.187 162 E C -0.538 176.119 176.600 0.094 0.000 1.073 162 E CA -0.157 56.282 56.400 0.065 0.000 0.888 162 E CB 0.651 30.399 29.700 0.081 0.000 1.035 162 E HN 0.064 nan 8.360 nan 0.000 0.471 163 V N 2.240 122.209 119.914 0.090 0.000 2.720 163 V HA 0.026 4.177 4.120 0.051 0.000 0.307 163 V C -2.316 173.830 176.094 0.086 0.000 1.071 163 V CA -1.532 60.839 62.300 0.118 0.000 1.199 163 V CB 0.751 32.663 31.823 0.147 0.000 0.900 163 V HN 0.102 nan 8.190 nan 0.000 0.494 164 P HA 0.297 nan 4.420 nan 0.000 0.276 164 P C -1.242 176.045 177.300 -0.021 0.000 1.253 164 P CA 0.247 63.264 63.100 -0.139 0.000 0.766 164 P CB 0.203 31.440 31.700 -0.772 0.000 0.845 165 F N 3.764 123.727 119.950 0.023 0.000 2.574 165 F HA 0.438 4.995 4.527 0.051 0.000 0.313 165 F C -1.199 174.675 175.800 0.122 0.000 1.130 165 F CA -0.828 57.199 58.000 0.045 0.000 0.936 165 F CB 1.663 40.687 39.000 0.040 0.000 1.219 165 F HN -0.032 nan 8.300 nan 0.000 0.445 166 V N 6.690 126.667 119.914 0.106 0.000 2.495 166 V HA 0.508 4.659 4.120 0.051 0.000 0.298 166 V C -0.270 175.973 176.094 0.248 0.000 1.031 166 V CA -0.697 61.738 62.300 0.226 0.000 0.871 166 V CB 1.870 33.769 31.823 0.127 0.000 0.988 166 V HN 0.538 nan 8.190 nan 0.000 0.432 167 I N 4.971 125.724 120.570 0.305 0.000 2.389 167 I HA 0.454 4.655 4.170 0.051 0.000 0.288 167 I C -0.121 176.115 176.117 0.200 0.000 0.999 167 I CA -0.310 61.146 61.300 0.260 0.000 1.129 167 I CB 1.679 39.837 38.000 0.263 0.000 1.288 167 I HN 0.562 nan 8.210 nan 0.000 0.444 168 M N 7.267 126.967 119.600 0.166 0.000 2.120 168 M HA 0.342 4.853 4.480 0.051 0.000 0.354 168 M C -0.018 176.378 176.300 0.159 0.000 1.287 168 M CA 0.025 55.418 55.300 0.155 0.000 1.103 168 M CB 0.765 33.447 32.600 0.137 0.000 1.623 168 M HN 0.797 nan 8.290 nan 0.000 0.471 169 T N 1.381 116.040 114.554 0.174 0.000 2.841 169 T HA 0.874 5.255 4.350 0.051 0.000 0.276 169 T C -0.172 174.612 174.700 0.141 0.000 1.003 169 T CA -0.512 61.697 62.100 0.182 0.000 0.995 169 T CB 1.553 70.588 68.868 0.280 0.000 1.260 169 T HN 0.747 nan 8.240 nan 0.000 0.581 170 S N -1.235 114.546 115.700 0.135 0.000 2.720 170 S HA 0.433 4.934 4.470 0.051 0.000 0.287 170 S C 0.116 174.771 174.600 0.092 0.000 1.168 170 S CA -0.775 57.478 58.200 0.088 0.000 0.832 170 S CB 1.155 64.401 63.200 0.077 0.000 1.166 170 S HN 0.598 nan 8.310 nan 0.000 0.493 171 D N 0.905 121.335 120.400 0.051 0.000 2.158 171 D HA -0.118 4.553 4.640 0.051 0.000 0.197 171 D C 0.938 177.279 176.300 0.069 0.000 0.995 171 D CA 1.628 55.658 54.000 0.049 0.000 0.846 171 D CB -0.366 40.448 40.800 0.025 0.000 0.941 171 D HN 0.566 nan 8.370 nan 0.000 0.456 172 D N -0.833 119.605 120.400 0.063 0.000 2.149 172 D HA -0.078 4.593 4.640 0.051 0.000 0.201 172 D C 2.107 178.446 176.300 0.066 0.000 0.972 172 D CA 1.620 55.653 54.000 0.055 0.000 0.835 172 D CB -0.011 40.817 40.800 0.047 0.000 0.966 172 D HN 0.342 nan 8.370 nan 0.000 0.476 173 T N -3.524 111.086 114.554 0.094 0.000 2.985 173 T HA 0.010 4.391 4.350 0.051 0.000 0.254 173 T C 1.688 176.452 174.700 0.107 0.000 1.021 173 T CA -0.099 62.056 62.100 0.092 0.000 0.957 173 T CB -0.025 68.902 68.868 0.099 0.000 1.047 173 T HN 0.172 nan 8.240 nan 0.000 0.511 174 H N 2.022 121.118 119.070 0.043 0.000 2.253 174 H HA -0.114 4.473 4.556 0.052 0.000 0.296 174 H C 1.425 176.775 175.328 0.037 0.000 1.074 174 H CA 2.243 58.318 56.048 0.044 0.000 1.263 174 H CB -0.203 29.584 29.762 0.041 0.000 1.363 174 H HN 0.263 nan 8.280 nan 0.000 0.489 175 D N 0.275 120.687 120.400 0.019 0.000 2.104 175 D HA -0.136 4.535 4.640 0.051 0.000 0.194 175 D C 2.557 178.819 176.300 -0.064 0.000 0.994 175 D CA 0.987 54.961 54.000 -0.043 0.000 0.830 175 D CB -0.288 40.535 40.800 0.038 0.000 0.959 175 D HN 0.275 nan 8.370 nan 0.000 0.452 176 R N -0.071 120.415 120.500 -0.023 0.000 2.120 176 R HA -0.030 4.341 4.340 0.051 0.000 0.234 176 R C 2.359 178.644 176.300 -0.025 0.000 1.123 176 R CA 1.236 57.325 56.100 -0.017 0.000 0.975 176 R CB -0.381 29.920 30.300 0.001 0.000 0.866 176 R HN 0.111 nan 8.270 nan 0.000 0.446 177 T N 0.950 115.481 114.554 -0.039 0.000 2.708 177 T HA -0.079 4.302 4.350 0.051 0.000 0.266 177 T C 1.701 176.359 174.700 -0.071 0.000 1.037 177 T CA 1.104 63.183 62.100 -0.034 0.000 1.146 177 T CB -0.137 68.721 68.868 -0.016 0.000 0.865 177 T HN 0.124 nan 8.240 nan 0.000 0.435 178 L N 0.928 122.064 121.223 -0.145 0.000 2.046 178 L HA -0.164 4.207 4.340 0.051 0.000 0.208 178 L C 2.924 179.751 176.870 -0.072 0.000 1.077 178 L CA 1.477 56.240 54.840 -0.129 0.000 0.747 178 L CB -0.685 41.260 42.059 -0.189 0.000 0.896 178 L HN 0.352 nan 8.230 nan 0.000 0.432 179 Q N 0.381 120.145 119.800 -0.059 0.000 2.061 179 Q HA -0.268 4.103 4.340 0.051 0.000 0.204 179 Q C 2.324 178.309 176.000 -0.025 0.000 0.984 179 Q CA 1.777 57.559 55.803 -0.034 0.000 0.846 179 Q CB -0.117 28.605 28.738 -0.025 0.000 0.902 179 Q HN 0.367 nan 8.270 nan 0.000 0.421 180 L N 0.634 121.845 121.223 -0.020 0.000 2.046 180 L HA -0.145 4.226 4.340 0.051 0.000 0.208 180 L C 2.123 178.982 176.870 -0.019 0.000 1.077 180 L CA 1.490 56.325 54.840 -0.010 0.000 0.747 180 L CB -0.514 41.550 42.059 0.007 0.000 0.896 180 L HN 0.324 nan 8.230 nan 0.000 0.432 181 L N -0.720 120.486 121.223 -0.029 0.000 2.013 181 L HA -0.264 4.107 4.340 0.051 0.000 0.212 181 L C 2.842 179.690 176.870 -0.036 0.000 1.073 181 L CA 1.756 56.572 54.840 -0.039 0.000 0.753 181 L CB -0.750 41.281 42.059 -0.047 0.000 0.890 181 L HN 0.317 nan 8.230 nan 0.000 0.432 182 R N 0.644 121.125 120.500 -0.032 0.000 2.070 182 R HA -0.193 4.178 4.340 0.051 0.000 0.233 182 R C 2.111 178.398 176.300 -0.022 0.000 1.137 182 R CA 1.982 58.066 56.100 -0.027 0.000 0.945 182 R CB -0.237 30.049 30.300 -0.025 0.000 0.845 182 R HN 0.453 nan 8.270 nan 0.000 0.430 183 E N 0.305 120.494 120.200 -0.019 0.000 2.153 183 E HA -0.153 4.227 4.350 0.051 0.000 0.194 183 E C 1.876 178.466 176.600 -0.015 0.000 0.988 183 E CA 1.092 57.484 56.400 -0.014 0.000 0.811 183 E CB -0.030 29.664 29.700 -0.011 0.000 0.746 183 E HN 0.372 nan 8.360 nan 0.000 0.466 184 L N 0.307 121.519 121.223 -0.019 0.000 2.591 184 L HA 0.018 4.389 4.340 0.051 0.000 0.228 184 L C 0.343 177.198 176.870 -0.024 0.000 1.133 184 L CA 0.132 54.959 54.840 -0.022 0.000 0.880 184 L CB -0.109 41.934 42.059 -0.026 0.000 1.033 184 L HN 0.109 nan 8.230 nan 0.000 0.450 185 Q N 0.451 120.236 119.800 -0.025 0.000 2.475 185 Q HA -0.196 4.175 4.340 0.051 0.000 0.280 185 Q C -0.333 175.647 176.000 -0.033 0.000 1.234 185 Q CA 0.374 56.162 55.803 -0.025 0.000 0.873 185 Q CB -1.757 26.970 28.738 -0.019 0.000 1.256 185 Q HN 0.478 nan 8.270 nan 0.000 0.475 186 L N 1.186 122.384 121.223 -0.042 0.000 2.361 186 L HA 0.125 4.496 4.340 0.051 0.000 0.278 186 L C 0.735 177.571 176.870 -0.056 0.000 1.113 186 L CA 0.552 55.358 54.840 -0.057 0.000 0.849 186 L CB 0.511 42.525 42.059 -0.075 0.000 1.155 186 L HN 0.095 nan 8.230 nan 0.000 0.452 187 E N 3.865 124.033 120.200 -0.054 0.000 2.063 187 E HA 0.300 4.681 4.350 0.051 0.000 0.265 187 E C -1.102 175.464 176.600 -0.056 0.000 0.919 187 E CA -0.345 56.026 56.400 -0.047 0.000 0.756 187 E CB 1.597 31.277 29.700 -0.034 0.000 1.120 187 E HN 0.277 nan 8.360 nan 0.000 0.414 188 V N 5.140 125.015 119.914 -0.065 0.000 2.320 188 V HA 0.142 4.293 4.120 0.051 0.000 0.268 188 V C -1.831 174.230 176.094 -0.054 0.000 1.021 188 V CA -1.352 60.907 62.300 -0.069 0.000 0.813 188 V CB 1.032 32.787 31.823 -0.114 0.000 1.054 188 V HN 0.488 nan 8.190 nan 0.000 0.444 189 P HA -0.070 nan 4.420 nan 0.000 0.216 189 P C 0.817 178.090 177.300 -0.045 0.000 1.150 189 P CA 1.189 64.272 63.100 -0.029 0.000 0.837 189 P CB 0.204 31.903 31.700 -0.003 0.000 0.786 190 N N -0.438 118.252 118.700 -0.017 0.000 2.376 190 N HA 0.118 4.889 4.740 0.051 0.000 0.249 190 N C -0.204 175.281 175.510 -0.041 0.000 1.140 190 N CA -0.252 52.795 53.050 -0.006 0.000 0.870 190 N CB -0.071 38.486 38.487 0.115 0.000 1.124 190 N HN 0.124 nan 8.380 nan 0.000 0.505 191 L N 1.160 122.307 121.223 -0.125 0.000 2.305 191 L HA 0.260 4.631 4.340 0.051 0.000 0.281 191 L C -0.700 176.010 176.870 -0.268 0.000 1.085 191 L CA -0.258 54.553 54.840 -0.049 0.000 0.813 191 L CB 0.352 42.393 42.059 -0.031 0.000 1.157 191 L HN 0.150 nan 8.230 nan 0.000 0.436 192 H N 3.420 122.603 119.070 0.188 0.000 2.589 192 H HA 0.529 5.116 4.556 0.051 0.000 0.335 192 H C -0.891 174.535 175.328 0.164 0.000 1.019 192 H CA -0.692 55.449 56.048 0.154 0.000 1.213 192 H CB 1.639 31.491 29.762 0.150 0.000 1.472 192 H HN 0.387 nan 8.280 nan 0.000 0.508 193 V N 5.736 125.785 119.914 0.226 0.000 2.333 193 V HA 0.222 4.373 4.120 0.051 0.000 0.274 193 V C -0.237 175.993 176.094 0.226 0.000 1.028 193 V CA -0.507 61.923 62.300 0.217 0.000 0.851 193 V CB 0.484 32.412 31.823 0.176 0.000 1.000 193 V HN 0.581 nan 8.190 nan 0.000 0.456 194 L N 5.269 126.611 121.223 0.199 0.000 2.325 194 L HA 0.573 4.944 4.340 0.051 0.000 0.281 194 L C 0.000 176.938 176.870 0.114 0.000 1.004 194 L CA -0.510 54.413 54.840 0.139 0.000 0.823 194 L CB 1.629 43.761 42.059 0.121 0.000 1.236 194 L HN 0.510 nan 8.230 nan 0.000 0.415 195 K N 4.439 124.860 120.400 0.034 0.000 2.234 195 K HA 0.262 4.613 4.320 0.051 0.000 0.277 195 K C -0.226 176.366 176.600 -0.013 0.000 1.038 195 K CA -0.571 55.702 56.287 -0.024 0.000 0.888 195 K CB 1.023 33.355 32.500 -0.280 0.000 1.091 195 K HN 0.634 nan 8.250 nan 0.000 0.467 196 Q N 2.347 122.164 119.800 0.027 0.000 2.340 196 Q HA 0.300 4.671 4.340 0.051 0.000 0.249 196 Q C -0.057 175.943 176.000 0.001 0.000 0.957 196 Q CA -0.793 55.027 55.803 0.029 0.000 0.882 196 Q CB 1.108 29.888 28.738 0.070 0.000 1.235 196 Q HN 0.615 nan 8.270 nan 0.000 0.439 197 G N 1.924 110.714 108.800 -0.017 0.000 2.367 197 G HA2 0.278 4.269 3.960 0.051 0.000 0.314 197 G HA3 0.278 4.269 3.960 0.051 0.000 0.314 197 G C -0.673 174.211 174.900 -0.027 0.000 1.130 197 G CA -0.662 44.414 45.100 -0.040 0.000 0.864 197 G HN 0.664 nan 8.290 nan 0.000 0.486 198 Q N -0.703 119.077 119.800 -0.033 0.000 2.312 198 Q HA 0.442 4.813 4.340 0.051 0.000 0.236 198 Q C 0.287 176.226 176.000 -0.101 0.000 0.965 198 Q CA -0.559 55.221 55.803 -0.038 0.000 0.894 198 Q CB 2.014 30.729 28.738 -0.039 0.000 1.225 198 Q HN 0.524 nan 8.270 nan 0.000 0.478 199 V N -1.801 118.035 119.914 -0.131 0.000 2.881 199 V HA 0.522 4.673 4.120 0.051 0.000 0.316 199 V C -0.329 175.467 176.094 -0.496 0.000 1.070 199 V CA -1.070 61.028 62.300 -0.336 0.000 0.976 199 V CB 0.726 32.433 31.823 -0.193 0.000 1.038 199 V HN 0.516 nan 8.190 nan 0.000 0.446 200 F N 0.612 120.068 119.950 -0.823 0.000 2.532 200 F HA 0.495 5.053 4.527 0.051 0.000 0.323 200 F C 0.872 176.363 175.800 -0.514 0.000 1.234 200 F CA -0.440 57.134 58.000 -0.709 0.000 1.323 200 F CB -0.020 38.423 39.000 -0.930 0.000 1.183 200 F HN 0.653 nan 8.300 nan 0.000 0.589 201 C N 1.101 120.284 119.300 -0.196 0.000 2.614 201 C HA 0.636 5.126 4.460 0.051 0.000 0.320 201 C C -0.777 174.043 174.990 -0.282 0.000 1.200 201 C CA -1.018 57.835 59.018 -0.275 0.000 1.700 201 C CB 1.185 28.869 27.740 -0.093 0.000 2.275 201 C HN 0.416 nan 8.230 nan 0.000 0.492 202 F N 0.893 120.933 119.950 0.150 0.000 2.404 202 F HA 0.500 5.058 4.527 0.051 0.000 0.354 202 F C 1.063 177.013 175.800 0.249 0.000 1.122 202 F CA -0.785 57.320 58.000 0.174 0.000 1.080 202 F CB 0.891 40.005 39.000 0.190 0.000 1.131 202 F HN 0.776 nan 8.300 nan 0.000 0.471 203 A N 1.598 124.606 122.820 0.313 0.000 2.015 203 A HA 0.015 4.366 4.320 0.051 0.000 0.219 203 A C 0.452 178.087 177.584 0.084 0.000 1.163 203 A CA 1.602 53.760 52.037 0.201 0.000 0.646 203 A CB -0.686 18.349 19.000 0.058 0.000 0.806 203 A HN 0.771 nan 8.150 nan 0.000 0.448 204 D N -3.759 116.611 120.400 -0.049 0.000 2.752 204 D HA 0.294 4.965 4.640 0.051 0.000 0.313 204 D C 0.497 176.468 176.300 -0.549 0.000 1.225 204 D CA 0.216 53.855 54.000 -0.601 0.000 0.976 204 D CB 0.138 40.766 40.800 -0.286 0.000 1.443 204 D HN -0.039 nan 8.370 nan 0.000 0.515 205 S N -1.539 113.809 115.700 -0.587 0.000 2.561 205 S HA 0.183 4.684 4.470 0.051 0.000 0.225 205 S C 1.529 176.047 174.600 -0.137 0.000 0.977 205 S CA 0.362 58.444 58.200 -0.196 0.000 0.926 205 S CB -0.402 62.743 63.200 -0.091 0.000 0.769 205 S HN 0.690 nan 8.310 nan 0.000 0.533 206 A N 0.648 123.346 122.820 -0.203 0.000 2.307 206 A HA 0.757 5.108 4.320 0.051 0.000 0.218 206 A C 1.355 178.713 177.584 -0.376 0.000 1.228 206 A CA 0.293 52.185 52.037 -0.241 0.000 0.857 206 A CB -0.835 17.971 19.000 -0.322 0.000 0.897 206 A HN 1.488 nan 8.150 nan 0.000 0.495 207 A N -0.121 122.451 122.820 -0.414 0.000 2.930 207 A HA -0.166 4.185 4.320 0.051 0.000 0.273 207 A C 0.027 177.533 177.584 -0.129 0.000 1.435 207 A CA 0.667 52.340 52.037 -0.606 0.000 0.780 207 A CB -2.853 15.428 19.000 -1.197 0.000 1.034 207 A HN 0.641 nan 8.150 nan 0.000 0.562 208 H N -0.504 118.617 119.070 0.084 0.000 2.899 208 H HA 0.315 4.902 4.556 0.051 0.000 0.303 208 H C 0.606 176.077 175.328 0.239 0.000 1.042 208 H CA -0.237 55.897 56.048 0.142 0.000 1.479 208 H CB 0.477 30.141 29.762 -0.163 0.000 1.493 208 H HN 0.359 nan 8.280 nan 0.000 0.534 209 L N 2.512 123.977 121.223 0.403 0.000 2.490 209 L HA 0.051 4.422 4.340 0.051 0.000 0.274 209 L C 0.877 177.845 176.870 0.162 0.000 1.201 209 L CA 0.055 55.009 54.840 0.190 0.000 0.869 209 L CB -0.184 41.835 42.059 -0.067 0.000 1.123 209 L HN 0.692 nan 8.230 nan 0.000 0.484 210 A N 5.783 128.641 122.820 0.063 0.000 2.327 210 A HA 0.650 5.001 4.320 0.051 0.000 0.283 210 A C -0.304 177.278 177.584 -0.003 0.000 1.127 210 A CA -0.496 51.568 52.037 0.044 0.000 0.810 210 A CB 0.337 19.368 19.000 0.052 0.000 1.066 210 A HN 0.660 nan 8.150 nan 0.000 0.492 211 L N 1.572 122.799 121.223 0.006 0.000 2.334 211 L HA 0.390 4.761 4.340 0.051 0.000 0.272 211 L C 0.112 176.984 176.870 0.005 0.000 1.020 211 L CA -1.053 53.782 54.840 -0.007 0.000 0.812 211 L CB 1.700 43.757 42.059 -0.002 0.000 1.264 211 L HN 0.956 nan 8.230 nan 0.000 0.439 212 D N 0.034 120.437 120.400 0.005 0.000 2.469 212 D HA 0.044 4.715 4.640 0.051 0.000 0.278 212 D C 0.668 176.975 176.300 0.013 0.000 1.231 212 D CA -0.313 53.693 54.000 0.011 0.000 1.075 212 D CB 0.482 41.289 40.800 0.012 0.000 1.121 212 D HN 0.327 nan 8.370 nan 0.000 0.571 213 E N -0.934 119.274 120.200 0.013 0.000 2.150 213 E HA -0.104 4.276 4.350 0.051 0.000 0.193 213 E C 2.001 178.610 176.600 0.014 0.000 0.985 213 E CA 1.846 58.254 56.400 0.013 0.000 0.814 213 E CB -0.927 28.781 29.700 0.012 0.000 0.752 213 E HN 0.758 nan 8.360 nan 0.000 0.466 214 T N -2.904 111.659 114.554 0.015 0.000 3.088 214 T HA 0.221 4.602 4.350 0.051 0.000 0.259 214 T C 1.489 176.201 174.700 0.020 0.000 1.122 214 T CA 0.837 62.947 62.100 0.016 0.000 1.095 214 T CB 0.187 69.064 68.868 0.015 0.000 0.930 214 T HN 0.258 nan 8.240 nan 0.000 0.508 215 G N 0.412 109.225 108.800 0.021 0.000 2.144 215 G HA2 -0.178 3.813 3.960 0.051 0.000 0.218 215 G HA3 -0.178 3.813 3.960 0.051 0.000 0.218 215 G C -0.101 174.816 174.900 0.027 0.000 0.988 215 G CA -0.053 45.063 45.100 0.028 0.000 0.659 215 G HN 0.696 nan 8.290 nan 0.000 0.522 216 K N 0.119 120.530 120.400 0.019 0.000 2.095 216 K HA 0.753 5.104 4.320 0.051 0.000 0.252 216 K C 0.918 177.513 176.600 -0.007 0.000 0.977 216 K CA -0.952 55.344 56.287 0.016 0.000 0.900 216 K CB 0.529 33.045 32.500 0.027 0.000 1.060 216 K HN 0.156 nan 8.250 nan 0.000 0.449 217 L N 3.579 124.783 121.223 -0.031 0.000 2.534 217 L HA 0.049 4.420 4.340 0.051 0.000 0.271 217 L C 0.248 177.125 176.870 0.012 0.000 1.178 217 L CA -0.310 54.482 54.840 -0.080 0.000 0.907 217 L CB -0.049 41.874 42.059 -0.227 0.000 1.164 217 L HN 0.452 nan 8.230 nan 0.000 0.482 218 L N 5.620 126.841 121.223 -0.003 0.000 2.426 218 L HA 0.261 4.632 4.340 0.051 0.000 0.271 218 L C -0.020 176.869 176.870 0.031 0.000 1.169 218 L CA 0.509 55.358 54.840 0.014 0.000 0.836 218 L CB 0.207 42.266 42.059 0.001 0.000 1.112 218 L HN 0.488 nan 8.230 nan 0.000 0.465 219 R N 4.606 125.112 120.500 0.009 0.000 2.686 219 R HA 0.589 4.960 4.340 0.051 0.000 0.286 219 R C -1.038 175.243 176.300 -0.030 0.000 0.969 219 R CA -0.888 55.197 56.100 -0.026 0.000 0.898 219 R CB 2.034 32.317 30.300 -0.028 0.000 1.183 219 R HN 0.653 nan 8.270 nan 0.000 0.456 220 K N 1.646 122.019 120.400 -0.046 0.000 2.509 220 K HA 0.483 4.834 4.320 0.051 0.000 0.266 220 K C -2.721 173.872 176.600 -0.011 0.000 0.987 220 K CA -2.067 54.204 56.287 -0.026 0.000 0.868 220 K CB 2.449 34.930 32.500 -0.032 0.000 1.421 220 K HN 0.200 nan 8.250 nan 0.000 0.444 221 P HA -0.016 nan 4.420 nan 0.000 0.269 221 P C -0.386 176.942 177.300 0.047 0.000 1.209 221 P CA 0.133 63.251 63.100 0.029 0.000 0.776 221 P CB 0.369 32.081 31.700 0.020 0.000 0.876 222 H N 2.171 121.228 119.070 -0.022 0.000 2.539 222 H HA 0.164 4.751 4.556 0.052 0.000 0.269 222 H C 0.701 175.999 175.328 -0.051 0.000 0.980 222 H CA 0.694 56.731 56.048 -0.018 0.000 1.152 222 H CB -0.065 29.724 29.762 0.044 0.000 1.407 222 H HN 0.662 nan 8.280 nan 0.000 0.564 223 G N 0.939 109.686 108.800 -0.089 0.000 2.707 223 G HA2 -0.280 3.711 3.960 0.051 0.000 0.686 223 G HA3 -0.280 3.711 3.960 0.051 0.000 0.686 223 G C 0.250 175.103 174.900 -0.077 0.000 1.315 223 G CA -0.056 44.934 45.100 -0.183 0.000 0.832 223 G HN 0.636 nan 8.290 nan 0.000 0.573 224 H N -0.616 118.489 119.070 0.058 0.000 2.559 224 H HA 0.220 4.807 4.556 0.051 0.000 0.273 224 H C 2.443 177.796 175.328 0.042 0.000 1.000 224 H CA 1.708 57.791 56.048 0.058 0.000 1.195 224 H CB -0.613 29.186 29.762 0.061 0.000 1.368 224 H HN 1.034 nan 8.280 nan 0.000 0.592 225 G N 0.983 109.904 108.800 0.202 0.000 2.485 225 G HA2 -0.307 3.684 3.960 0.051 0.000 0.221 225 G HA3 -0.307 3.684 3.960 0.051 0.000 0.221 225 G C 1.148 176.167 174.900 0.198 0.000 1.115 225 G CA 0.966 46.206 45.100 0.233 0.000 0.751 225 G HN 0.394 nan 8.290 nan 0.000 0.567 226 D N -0.056 120.455 120.400 0.186 0.000 2.271 226 D HA -0.123 4.548 4.640 0.051 0.000 0.207 226 D C 2.463 178.825 176.300 0.105 0.000 0.983 226 D CA 0.669 54.772 54.000 0.173 0.000 0.878 226 D CB -0.345 40.556 40.800 0.168 0.000 0.920 226 D HN 0.206 nan 8.370 nan 0.000 0.479 227 V N 1.060 120.992 119.914 0.030 0.000 2.469 227 V HA -0.253 3.898 4.120 0.051 0.000 0.251 227 V C 2.009 178.112 176.094 0.015 0.000 1.064 227 V CA 1.781 64.079 62.300 -0.004 0.000 1.066 227 V CB -0.290 31.510 31.823 -0.039 0.000 0.667 227 V HN 0.326 nan 8.190 nan 0.000 0.461 228 H N -0.259 118.932 119.070 0.202 0.000 2.395 228 H HA -0.005 4.582 4.556 0.052 0.000 0.299 228 H C 2.560 177.980 175.328 0.154 0.000 1.070 228 H CA 1.552 57.717 56.048 0.195 0.000 1.356 228 H CB -0.476 29.336 29.762 0.084 0.000 1.401 228 H HN 0.525 nan 8.280 nan 0.000 0.524 229 S N 1.293 117.122 115.700 0.215 0.000 2.356 229 S HA -0.084 4.416 4.470 0.051 0.000 0.223 229 S C 2.502 177.196 174.600 0.157 0.000 1.032 229 S CA 0.704 59.000 58.200 0.160 0.000 1.005 229 S CB -0.494 62.762 63.200 0.093 0.000 0.867 229 S HN 0.216 nan 8.310 nan 0.000 0.449 230 L N 1.045 122.341 121.223 0.121 0.000 2.012 230 L HA -0.142 4.229 4.340 0.051 0.000 0.210 230 L C 2.380 179.299 176.870 0.082 0.000 1.073 230 L CA 1.343 56.235 54.840 0.086 0.000 0.748 230 L CB -0.669 41.442 42.059 0.086 0.000 0.891 230 L HN 0.291 nan 8.230 nan 0.000 0.431 231 I N -1.401 119.254 120.570 0.141 0.000 2.202 231 I HA -0.341 3.860 4.170 0.051 0.000 0.242 231 I C 2.579 178.727 176.117 0.053 0.000 1.091 231 I CA 1.372 62.746 61.300 0.123 0.000 1.368 231 I CB -0.374 37.803 38.000 0.296 0.000 1.058 231 I HN 0.206 nan 8.210 nan 0.000 0.410 232 Y N 2.067 122.368 120.300 0.002 0.000 2.256 232 Y HA -0.269 4.312 4.550 0.051 0.000 0.288 232 Y C 1.792 177.622 175.900 -0.117 0.000 1.155 232 Y CA 1.974 60.030 58.100 -0.074 0.000 1.203 232 Y CB -0.455 37.957 38.460 -0.080 0.000 0.980 232 Y HN 0.220 nan 8.280 nan 0.000 0.530 233 N N -0.028 118.585 118.700 -0.144 0.000 2.280 233 N HA 0.243 5.014 4.740 0.051 0.000 0.192 233 N C -0.153 175.237 175.510 -0.201 0.000 1.109 233 N CA 0.313 53.233 53.050 -0.218 0.000 0.855 233 N CB 0.214 38.668 38.487 -0.056 0.000 0.974 233 N HN 0.264 nan 8.380 nan 0.000 0.482 234 A N 0.840 123.542 122.820 -0.197 0.000 2.388 234 A HA 0.453 4.804 4.320 0.051 0.000 0.257 234 A C 0.600 178.015 177.584 -0.282 0.000 1.095 234 A CA -0.155 51.757 52.037 -0.208 0.000 0.791 234 A CB 0.108 18.978 19.000 -0.217 0.000 1.029 234 A HN 0.228 nan 8.150 nan 0.000 0.489 235 T N -0.849 113.570 114.554 -0.226 0.000 2.930 235 T HA 0.658 5.039 4.350 0.051 0.000 0.290 235 T C -0.101 174.489 174.700 -0.185 0.000 1.052 235 T CA -0.448 61.521 62.100 -0.218 0.000 1.017 235 T CB 1.160 69.937 68.868 -0.152 0.000 1.137 235 T HN 1.212 nan 8.240 nan 0.000 0.511 252 Q N 1.333 121.074 119.800 -0.099 0.000 2.243 252 Q HA 0.465 4.836 4.340 0.051 0.000 0.252 252 Q C -2.689 173.201 176.000 -0.183 0.000 0.909 252 Q CA -2.176 53.554 55.803 -0.122 0.000 0.922 252 Q CB 1.398 30.077 28.738 -0.098 0.000 1.215 252 Q HN 0.154 nan 8.270 nan 0.000 0.427 253 P HA -0.113 nan 4.420 nan 0.000 0.265 253 P C 0.356 177.431 177.300 -0.375 0.000 1.193 253 P CA -0.087 62.834 63.100 -0.297 0.000 0.765 253 P CB 0.549 32.077 31.700 -0.287 0.000 0.823 254 L N 6.069 126.986 121.223 -0.510 0.000 2.013 254 L HA -0.192 4.179 4.340 0.051 0.000 0.212 254 L C 2.050 178.273 176.870 -1.079 0.000 1.073 254 L CA 2.111 56.451 54.840 -0.833 0.000 0.753 254 L CB -1.386 40.086 42.059 -0.978 0.000 0.890 254 L HN 0.310 nan 8.230 nan 0.000 0.432 255 V N -2.786 116.663 119.914 -0.774 0.000 2.594 255 V HA -0.234 3.916 4.120 0.051 0.000 0.253 255 V C 2.043 178.043 176.094 -0.157 0.000 1.069 255 V CA 2.114 64.165 62.300 -0.414 0.000 1.082 255 V CB -1.315 30.470 31.823 -0.062 0.000 0.680 255 V HN 0.602 nan 8.190 nan 0.000 0.469 256 N N 0.838 119.421 118.700 -0.196 0.000 2.188 256 N HA -0.182 4.589 4.740 0.051 0.000 0.184 256 N C 1.656 177.135 175.510 -0.053 0.000 1.018 256 N CA 1.501 54.499 53.050 -0.086 0.000 0.858 256 N CB -0.244 38.182 38.487 -0.101 0.000 0.989 256 N HN 0.667 nan 8.380 nan 0.000 0.426 257 D N 0.435 120.746 120.400 -0.149 0.000 2.097 257 D HA -0.166 4.505 4.640 0.051 0.000 0.195 257 D C 1.582 177.958 176.300 0.128 0.000 0.989 257 D CA 1.083 55.048 54.000 -0.059 0.000 0.827 257 D CB 0.080 40.792 40.800 -0.148 0.000 0.966 257 D HN 0.227 nan 8.370 nan 0.000 0.456 258 W N 0.215 121.525 121.300 0.016 0.000 2.333 258 W HA -0.107 4.584 4.660 0.052 0.000 0.316 258 W C 2.197 178.813 176.519 0.162 0.000 1.215 258 W CA 0.145 57.520 57.345 0.051 0.000 1.278 258 W CB -1.441 27.991 29.460 -0.046 0.000 1.154 258 W HN 0.149 nan 8.180 nan 0.000 0.486 259 L N 0.632 122.054 121.223 0.332 0.000 2.012 259 L HA -0.153 4.218 4.340 0.051 0.000 0.210 259 L C 2.552 179.524 176.870 0.170 0.000 1.073 259 L CA 2.456 57.431 54.840 0.225 0.000 0.748 259 L CB -1.671 40.482 42.059 0.156 0.000 0.891 259 L HN -0.030 nan 8.230 nan 0.000 0.431 260 A N -1.270 121.634 122.820 0.141 0.000 2.015 260 A HA -0.007 4.344 4.320 0.051 0.000 0.219 260 A C 2.229 179.881 177.584 0.113 0.000 1.163 260 A CA 1.342 53.439 52.037 0.100 0.000 0.646 260 A CB -0.695 18.346 19.000 0.069 0.000 0.806 260 A HN 0.395 nan 8.150 nan 0.000 0.448 261 A N -1.890 121.044 122.820 0.188 0.000 2.238 261 A HA 0.420 4.771 4.320 0.051 0.000 0.208 261 A C 1.689 179.314 177.584 0.069 0.000 1.177 261 A CA 1.169 53.319 52.037 0.189 0.000 0.804 261 A CB -0.772 18.445 19.000 0.361 0.000 0.823 261 A HN 1.801 nan 8.150 nan 0.000 0.482 262 G N -2.421 106.417 108.800 0.062 0.000 2.159 262 G HA2 -0.259 3.732 3.960 0.051 0.000 0.227 262 G HA3 -0.259 3.732 3.960 0.051 0.000 0.227 262 G C -0.033 174.779 174.900 -0.147 0.000 0.986 262 G CA 0.031 45.093 45.100 -0.062 0.000 0.651 262 G HN 0.389 nan 8.290 nan 0.000 0.523 263 Y N 0.733 121.051 120.300 0.030 0.000 2.411 263 Y HA 0.442 5.023 4.550 0.051 0.000 0.333 263 Y C 1.619 177.513 175.900 -0.009 0.000 1.186 263 Y CA 0.931 59.018 58.100 -0.022 0.000 1.381 263 Y CB 0.691 39.109 38.460 -0.069 0.000 1.273 263 Y HN 0.261 nan 8.280 nan 0.000 0.546 264 E N 0.140 120.385 120.200 0.075 0.000 2.571 264 E HA 0.189 4.570 4.350 0.051 0.000 0.222 264 E C -0.516 176.107 176.600 0.038 0.000 0.904 264 E CA 0.090 56.519 56.400 0.049 0.000 1.157 264 E CB 0.820 30.523 29.700 0.007 0.000 1.158 264 E HN 0.430 nan 8.360 nan 0.000 0.540 265 S N 0.560 116.251 115.700 -0.014 0.000 2.588 265 S HA 0.587 5.087 4.470 0.051 0.000 0.275 265 S C -1.129 173.355 174.600 -0.193 0.000 1.130 265 S CA -0.660 57.505 58.200 -0.059 0.000 0.855 265 S CB 2.454 65.604 63.200 -0.084 0.000 1.116 265 S HN 0.188 nan 8.310 nan 0.000 0.472 266 I N 2.222 122.682 120.570 -0.184 0.000 2.569 266 I HA 0.703 4.904 4.170 0.051 0.000 0.290 266 I C -1.447 174.515 176.117 -0.257 0.000 1.088 266 I CA -0.871 60.191 61.300 -0.397 0.000 1.047 266 I CB 1.403 39.092 38.000 -0.519 0.000 1.237 266 I HN 0.576 nan 8.210 nan 0.000 0.421 267 V N 3.520 123.163 119.914 -0.451 0.000 2.680 267 V HA 0.646 4.797 4.120 0.051 0.000 0.309 267 V C -1.352 174.529 176.094 -0.356 0.000 1.052 267 V CA -0.508 61.666 62.300 -0.209 0.000 0.908 267 V CB 1.694 33.431 31.823 -0.143 0.000 1.001 267 V HN 0.579 nan 8.190 nan 0.000 0.431 268 F N 4.916 124.819 119.950 -0.078 0.000 2.467 268 F HA 0.814 5.372 4.527 0.051 0.000 0.336 268 F C 0.182 175.923 175.800 -0.100 0.000 1.123 268 F CA -0.743 57.201 58.000 -0.093 0.000 0.964 268 F CB 1.866 40.846 39.000 -0.034 0.000 1.136 268 F HN 0.735 nan 8.300 nan 0.000 0.447 269 I N -0.248 120.322 120.570 0.000 0.000 2.892 269 I HA 0.592 4.793 4.170 0.051 0.000 0.306 269 I C -0.750 175.314 176.117 -0.088 0.000 1.078 269 I CA -1.149 60.103 61.300 -0.080 0.000 1.032 269 I CB 1.778 39.646 38.000 -0.221 0.000 1.229 269 I HN 0.321 nan 8.210 nan 0.000 0.435 270 Q N 2.097 121.850 119.800 -0.077 0.000 2.237 270 Q HA 0.161 4.532 4.340 0.051 0.000 0.219 270 Q C 0.045 176.020 176.000 -0.042 0.000 0.999 270 Q CA -0.284 55.493 55.803 -0.043 0.000 0.959 270 Q CB 1.298 30.027 28.738 -0.015 0.000 1.173 270 Q HN 0.867 nan 8.270 nan 0.000 0.527 271 D N -1.349 119.050 120.400 -0.002 0.000 2.289 271 D HA -0.091 4.580 4.640 0.051 0.000 0.207 271 D C 0.826 177.067 176.300 -0.098 0.000 0.966 271 D CA 0.879 54.911 54.000 0.054 0.000 0.868 271 D CB -0.026 40.802 40.800 0.047 0.000 0.943 271 D HN 0.520 nan 8.370 nan 0.000 0.514 272 T N -2.943 111.431 114.554 -0.300 0.000 3.633 272 T HA 0.237 4.618 4.350 0.051 0.000 0.278 272 T C -0.435 173.992 174.700 -0.456 0.000 0.991 272 T CA -0.936 60.626 62.100 -0.897 0.000 1.036 272 T CB -0.833 67.522 68.868 -0.855 0.000 1.148 272 T HN -0.023 nan 8.240 nan 0.000 0.501 273 N N 0.980 119.643 118.700 -0.061 0.000 2.626 273 N HA 0.606 5.377 4.740 0.051 0.000 0.249 273 N C 0.996 176.641 175.510 0.225 0.000 1.021 273 N CA -0.324 52.743 53.050 0.029 0.000 0.886 273 N CB 1.308 39.793 38.487 -0.004 0.000 1.149 273 N HN 0.319 nan 8.380 nan 0.000 0.517 274 A N 2.220 125.171 122.820 0.217 0.000 2.121 274 A HA 0.055 4.406 4.320 0.051 0.000 0.218 274 A C 1.855 179.547 177.584 0.181 0.000 1.154 274 A CA 1.392 53.544 52.037 0.191 0.000 0.679 274 A CB -0.641 18.269 19.000 -0.150 0.000 0.795 274 A HN 0.635 nan 8.150 nan 0.000 0.458 275 G N -0.540 108.295 108.800 0.057 0.000 2.498 275 G HA2 0.043 4.034 3.960 0.051 0.000 0.219 275 G HA3 0.043 4.034 3.960 0.051 0.000 0.219 275 G C 1.543 176.398 174.900 -0.075 0.000 1.119 275 G CA 1.059 46.142 45.100 -0.028 0.000 0.766 275 G HN 0.727 nan 8.290 nan 0.000 0.552 276 A N 1.026 123.826 122.820 -0.033 0.000 1.978 276 A HA -0.069 4.282 4.320 0.051 0.000 0.220 276 A C 2.615 180.043 177.584 -0.259 0.000 1.170 276 A CA 2.465 54.435 52.037 -0.111 0.000 0.636 276 A CB -0.928 18.043 19.000 -0.049 0.000 0.810 276 A HN 0.531 nan 8.150 nan 0.000 0.448 277 T N -2.505 111.806 114.554 -0.404 0.000 3.035 277 T HA 0.026 4.407 4.350 0.051 0.000 0.268 277 T C 1.591 176.042 174.700 -0.415 0.000 1.109 277 T CA 1.105 62.630 62.100 -0.958 0.000 1.119 277 T CB -0.239 67.857 68.868 -1.287 0.000 0.900 277 T HN 0.269 nan 8.240 nan 0.000 0.503 278 I N 2.531 122.978 120.570 -0.205 0.000 2.628 278 I HA 0.003 4.204 4.170 0.051 0.000 0.255 278 I C 2.966 179.031 176.117 -0.087 0.000 1.119 278 I CA 1.653 62.905 61.300 -0.080 0.000 1.448 278 I CB -1.524 36.449 38.000 -0.045 0.000 1.133 278 I HN 0.485 nan 8.210 nan 0.000 0.438 279 T N -0.392 114.009 114.554 -0.255 0.000 2.857 279 T HA -0.020 4.361 4.350 0.051 0.000 0.266 279 T C 2.040 176.657 174.700 -0.138 0.000 1.048 279 T CA 0.782 62.571 62.100 -0.519 0.000 1.139 279 T CB -0.642 67.590 68.868 -1.060 0.000 0.874 279 T HN 0.160 nan 8.240 nan 0.000 0.455 280 I N 2.337 122.887 120.570 -0.032 0.000 2.118 280 I HA -0.109 4.092 4.170 0.051 0.000 0.241 280 I C -0.486 175.743 176.117 0.187 0.000 1.070 280 I CA 1.499 62.871 61.300 0.120 0.000 1.327 280 I CB -1.157 36.996 38.000 0.256 0.000 1.034 280 I HN 0.243 nan 8.210 nan 0.000 0.405 281 P HA -0.180 nan 4.420 nan 0.000 0.215 281 P C 1.800 179.198 177.300 0.164 0.000 1.153 281 P CA 1.487 64.708 63.100 0.201 0.000 0.853 281 P CB -0.090 31.738 31.700 0.214 0.000 0.788 282 I N -0.696 119.997 120.570 0.206 0.000 2.179 282 I HA -0.171 4.030 4.170 0.051 0.000 0.242 282 I C 2.130 178.375 176.117 0.214 0.000 1.088 282 I CA 1.759 63.199 61.300 0.233 0.000 1.357 282 I CB -1.810 36.430 38.000 0.400 0.000 1.051 282 I HN -0.036 nan 8.210 nan 0.000 0.409 283 S N 1.091 116.961 115.700 0.284 0.000 2.368 283 S HA -0.088 4.413 4.470 0.051 0.000 0.225 283 S C 2.152 176.802 174.600 0.083 0.000 1.030 283 S CA 1.024 59.347 58.200 0.205 0.000 0.999 283 S CB -0.378 62.947 63.200 0.208 0.000 0.844 283 S HN 0.351 nan 8.310 nan 0.000 0.459 284 L N 1.128 122.397 121.223 0.075 0.000 2.012 284 L HA -0.173 4.198 4.340 0.051 0.000 0.210 284 L C 2.820 179.694 176.870 0.006 0.000 1.073 284 L CA 1.313 56.170 54.840 0.029 0.000 0.748 284 L CB -0.705 41.375 42.059 0.036 0.000 0.891 284 L HN 0.338 nan 8.230 nan 0.000 0.431 285 A N -0.085 122.746 122.820 0.019 0.000 1.902 285 A HA -0.172 4.179 4.320 0.051 0.000 0.217 285 A C 2.227 179.772 177.584 -0.066 0.000 1.181 285 A CA 1.486 53.514 52.037 -0.016 0.000 0.623 285 A CB -0.693 18.310 19.000 0.005 0.000 0.818 285 A HN 0.372 nan 8.150 nan 0.000 0.443 286 L N -0.738 120.456 121.223 -0.049 0.000 2.156 286 L HA -0.111 4.260 4.340 0.051 0.000 0.208 286 L C 2.805 179.596 176.870 -0.131 0.000 1.095 286 L CA 1.152 55.934 54.840 -0.096 0.000 0.770 286 L CB -0.327 41.706 42.059 -0.044 0.000 0.914 286 L HN 0.314 nan 8.230 nan 0.000 0.439 287 S N -0.126 115.527 115.700 -0.079 0.000 2.368 287 S HA -0.172 4.329 4.470 0.051 0.000 0.225 287 S C 2.164 176.720 174.600 -0.073 0.000 1.030 287 S CA 1.297 59.456 58.200 -0.068 0.000 0.999 287 S CB -0.174 63.002 63.200 -0.039 0.000 0.844 287 S HN 0.509 nan 8.310 nan 0.000 0.459 288 A N 1.197 123.969 122.820 -0.080 0.000 1.898 288 A HA -0.098 4.253 4.320 0.051 0.000 0.216 288 A C 2.000 179.498 177.584 -0.143 0.000 1.181 288 A CA 1.581 53.569 52.037 -0.081 0.000 0.620 288 A CB -0.602 18.358 19.000 -0.065 0.000 0.819 288 A HN 0.596 nan 8.150 nan 0.000 0.442 289 E N -1.027 119.027 120.200 -0.242 0.000 2.153 289 E HA -0.208 4.173 4.350 0.051 0.000 0.194 289 E C 0.684 176.955 176.600 -0.548 0.000 0.988 289 E CA 1.094 57.245 56.400 -0.416 0.000 0.811 289 E CB -0.086 29.272 29.700 -0.569 0.000 0.746 289 E HN 0.747 nan 8.360 nan 0.000 0.466 290 H N -0.562 118.367 119.070 -0.235 0.000 2.512 290 H HA 0.229 4.815 4.556 0.051 0.000 0.276 290 H C -0.185 175.070 175.328 -0.122 0.000 1.126 290 H CA 0.301 56.198 56.048 -0.251 0.000 1.060 290 H CB 0.778 30.140 29.762 -0.667 0.000 1.646 290 H HN -0.018 nan 8.280 nan 0.000 0.571 291 S N 1.230 116.922 115.700 -0.014 0.000 3.477 291 S HA -0.183 4.318 4.470 0.051 0.000 0.371 291 S C 0.438 175.073 174.600 0.059 0.000 0.965 291 S CA 0.138 58.353 58.200 0.025 0.000 1.239 291 S CB -1.738 61.486 63.200 0.041 0.000 0.918 291 S HN 0.378 nan 8.310 nan 0.000 0.498 292 L N 1.425 122.669 121.223 0.034 0.000 2.265 292 L HA 0.273 4.644 4.340 0.051 0.000 0.288 292 L C 1.402 178.305 176.870 0.055 0.000 1.058 292 L CA -0.569 54.299 54.840 0.047 0.000 0.809 292 L CB 0.657 42.718 42.059 0.004 0.000 1.179 292 L HN 0.217 nan 8.230 nan 0.000 0.429 293 D N 2.763 123.227 120.400 0.106 0.000 2.137 293 D HA -0.028 4.643 4.640 0.051 0.000 0.202 293 D C 0.502 176.773 176.300 -0.048 0.000 0.970 293 D CA 1.419 55.510 54.000 0.152 0.000 0.837 293 D CB 0.542 41.567 40.800 0.376 0.000 0.981 293 D HN 0.396 nan 8.370 nan 0.000 0.475 294 M N 0.802 120.262 119.600 -0.234 0.000 2.326 294 M HA 0.258 4.769 4.480 0.051 0.000 0.306 294 M C -1.672 174.418 176.300 -0.349 0.000 1.054 294 M CA -0.607 54.354 55.300 -0.564 0.000 0.922 294 M CB 2.270 34.376 32.600 -0.823 0.000 1.632 294 M HN -0.327 nan 8.290 nan 0.000 0.436 295 N N 4.587 123.021 118.700 -0.443 0.000 2.540 295 N HA 0.340 5.111 4.740 0.051 0.000 0.275 295 N C -2.071 173.319 175.510 -0.200 0.000 1.053 295 N CA -0.288 52.658 53.050 -0.174 0.000 0.876 295 N CB 0.673 39.099 38.487 -0.102 0.000 1.284 295 N HN 0.497 nan 8.380 nan 0.000 0.518 296 F N 1.315 121.174 119.950 -0.151 0.000 2.472 296 F HA 0.187 4.744 4.527 0.051 0.000 0.364 296 F C 1.331 177.119 175.800 -0.020 0.000 1.090 296 F CA -0.006 57.929 58.000 -0.109 0.000 1.188 296 F CB 0.700 39.639 39.000 -0.102 0.000 1.105 296 F HN 0.177 nan 8.300 nan 0.000 0.536 297 T N 3.963 118.602 114.554 0.142 0.000 2.779 297 T HA 0.306 4.687 4.350 0.051 0.000 0.296 297 T C -0.131 174.663 174.700 0.155 0.000 0.938 297 T CA -0.242 61.973 62.100 0.191 0.000 1.119 297 T CB -0.150 68.761 68.868 0.071 0.000 0.891 297 T HN 0.576 nan 8.240 nan 0.000 0.526 298 C N 3.856 123.275 119.300 0.199 0.000 2.913 298 C HA 0.876 5.367 4.460 0.051 0.000 0.322 298 C C 0.060 175.086 174.990 0.060 0.000 1.292 298 C CA -1.089 57.966 59.018 0.062 0.000 1.649 298 C CB 0.932 28.677 27.740 0.008 0.000 2.139 298 C HN 0.970 nan 8.230 nan 0.000 0.475 299 I N -1.443 119.084 120.570 -0.072 0.000 2.994 299 I HA 0.596 4.797 4.170 0.051 0.000 0.306 299 I C -3.155 172.839 176.117 -0.206 0.000 1.195 299 I CA -2.501 58.738 61.300 -0.102 0.000 1.001 299 I CB 1.858 39.788 38.000 -0.116 0.000 1.244 299 I HN 0.289 nan 8.210 nan 0.000 0.437 300 P HA 0.219 nan 4.420 nan 0.000 0.271 300 P C -1.433 175.557 177.300 -0.517 0.000 1.220 300 P CA -0.049 62.701 63.100 -0.584 0.000 0.768 300 P CB 0.411 31.397 31.700 -1.189 0.000 0.848 301 R N 1.811 122.212 120.500 -0.166 0.000 2.589 301 R HA 0.698 5.069 4.340 0.051 0.000 0.293 301 R C -0.961 175.554 176.300 0.358 0.000 0.963 301 R CA -1.184 54.957 56.100 0.068 0.000 0.905 301 R CB 1.083 31.381 30.300 -0.002 0.000 1.144 301 R HN 0.221 nan 8.270 nan 0.000 0.459 302 V N 4.240 124.365 119.914 0.353 0.000 2.498 302 V HA 0.262 4.413 4.120 0.051 0.000 0.279 302 V C -1.826 174.343 176.094 0.124 0.000 1.048 302 V CA -2.323 60.117 62.300 0.232 0.000 0.967 302 V CB 1.415 33.337 31.823 0.165 0.000 0.988 302 V HN 0.790 nan 8.190 nan 0.000 0.473 303 P HA -0.146 nan 4.420 nan 0.000 0.219 303 P C 0.124 177.477 177.300 0.089 0.000 1.145 303 P CA 1.447 64.601 63.100 0.091 0.000 0.813 303 P CB 0.019 31.763 31.700 0.074 0.000 0.771 304 K N 0.437 120.878 120.400 0.069 0.000 2.765 304 K HA 0.214 4.564 4.320 0.051 0.000 0.246 304 K C -0.039 176.588 176.600 0.044 0.000 1.254 304 K CA 0.050 56.370 56.287 0.055 0.000 1.219 304 K CB 0.096 32.621 32.500 0.043 0.000 1.747 304 K HN 0.202 nan 8.250 nan 0.000 0.372 305 E N 1.545 121.759 120.200 0.023 0.000 2.290 305 E HA 0.149 4.530 4.350 0.051 0.000 0.274 305 E C -2.417 174.061 176.600 -0.203 0.000 0.889 305 E CA -2.099 54.284 56.400 -0.028 0.000 0.760 305 E CB 2.103 31.821 29.700 0.029 0.000 1.206 305 E HN 0.031 nan 8.360 nan 0.000 0.419 306 P HA 0.108 nan 4.420 nan 0.000 0.261 306 P C -0.361 176.532 177.300 -0.678 0.000 1.650 306 P CA 0.470 62.938 63.100 -1.053 0.000 0.846 306 P CB -0.227 31.093 31.700 -0.632 0.000 1.758 307 I N -0.730 119.697 120.570 -0.238 0.000 2.569 307 I HA 0.592 4.793 4.170 0.051 0.000 0.296 307 I C 0.268 176.497 176.117 0.187 0.000 1.028 307 I CA -1.057 60.256 61.300 0.021 0.000 1.082 307 I CB 2.415 40.361 38.000 -0.090 0.000 1.264 307 I HN -0.019 nan 8.210 nan 0.000 0.429 308 G N 6.223 115.144 108.800 0.201 0.000 2.606 308 G HA2 0.463 4.454 3.960 0.051 0.000 0.252 308 G HA3 0.463 4.454 3.960 0.051 0.000 0.252 308 G C -1.010 173.879 174.900 -0.018 0.000 1.206 308 G CA -0.470 44.701 45.100 0.117 0.000 0.861 308 G HN 0.431 nan 8.290 nan 0.000 0.561 309 L N -0.004 121.162 121.223 -0.096 0.000 2.329 309 L HA 0.380 4.751 4.340 0.051 0.000 0.279 309 L C -0.070 176.644 176.870 -0.261 0.000 1.014 309 L CA -0.798 53.929 54.840 -0.188 0.000 0.814 309 L CB 1.751 43.622 42.059 -0.313 0.000 1.257 309 L HN 0.357 nan 8.230 nan 0.000 0.424 310 L N 3.276 124.324 121.223 -0.292 0.000 2.325 310 L HA 0.432 4.803 4.340 0.051 0.000 0.284 310 L C -0.745 175.847 176.870 -0.464 0.000 1.089 310 L CA 0.543 55.116 54.840 -0.446 0.000 0.836 310 L CB 0.055 41.826 42.059 -0.481 0.000 1.184 310 L HN 0.712 nan 8.230 nan 0.000 0.444 311 C N 4.423 123.409 119.300 -0.523 0.000 2.634 311 C HA 0.506 4.997 4.460 0.051 0.000 0.313 311 C C 0.152 174.868 174.990 -0.456 0.000 1.198 311 C CA -1.132 57.498 59.018 -0.647 0.000 1.605 311 C CB 1.919 29.230 27.740 -0.716 0.000 2.196 311 C HN 0.770 nan 8.230 nan 0.000 0.486 312 R N 1.829 122.074 120.500 -0.425 0.000 2.242 312 R HA 0.442 4.813 4.340 0.051 0.000 0.334 312 R C 0.072 176.399 176.300 0.044 0.000 1.071 312 R CA 0.369 56.343 56.100 -0.211 0.000 0.922 312 R CB 0.462 30.517 30.300 -0.409 0.000 1.023 312 R HN 0.987 nan 8.270 nan 0.000 0.458 313 T N 1.004 115.617 114.554 0.099 0.000 2.940 313 T HA 0.434 4.815 4.350 0.051 0.000 0.288 313 T C -0.526 174.238 174.700 0.108 0.000 1.033 313 T CA -0.973 61.111 62.100 -0.026 0.000 1.033 313 T CB 2.016 70.662 68.868 -0.371 0.000 1.079 313 T HN 0.502 nan 8.240 nan 0.000 0.496 314 K N 1.025 121.406 120.400 -0.032 0.000 2.668 314 K HA 0.366 4.717 4.320 0.051 0.000 0.246 314 K C 0.590 177.248 176.600 0.097 0.000 0.976 314 K CA -0.767 55.430 56.287 -0.150 0.000 0.902 314 K CB 1.491 33.587 32.500 -0.673 0.000 1.172 314 K HN 0.522 nan 8.250 nan 0.000 0.452 315 K N 2.423 122.917 120.400 0.157 0.000 2.026 315 K HA 0.039 4.390 4.320 0.051 0.000 0.208 315 K C -0.128 176.462 176.600 -0.017 0.000 1.048 315 K CA 1.691 58.041 56.287 0.104 0.000 0.929 315 K CB 0.136 32.655 32.500 0.031 0.000 0.713 315 K HN 0.604 nan 8.250 nan 0.000 0.439 316 N N -0.899 117.774 118.700 -0.044 0.000 2.272 316 N HA 0.087 4.858 4.740 0.051 0.000 0.305 316 N C 0.016 175.470 175.510 -0.093 0.000 1.103 316 N CA 0.132 53.144 53.050 -0.064 0.000 0.791 316 N CB 1.883 40.336 38.487 -0.056 0.000 1.356 316 N HN 0.078 nan 8.380 nan 0.000 0.486 317 S N -0.656 114.994 115.700 -0.085 0.000 2.462 317 S HA -0.111 4.390 4.470 0.051 0.000 0.243 317 S C 1.525 176.061 174.600 -0.108 0.000 1.003 317 S CA 1.074 59.213 58.200 -0.102 0.000 0.970 317 S CB -0.289 62.871 63.200 -0.067 0.000 0.762 317 S HN 0.763 nan 8.310 nan 0.000 0.510 318 G N 0.773 109.520 108.800 -0.088 0.000 2.887 318 G HA2 0.141 4.132 3.960 0.051 0.000 0.211 318 G HA3 0.141 4.132 3.960 0.051 0.000 0.211 318 G C 0.028 174.878 174.900 -0.083 0.000 1.152 318 G CA -0.300 44.756 45.100 -0.074 0.000 0.769 318 G HN 0.337 nan 8.290 nan 0.000 0.541 319 D N 1.123 121.460 120.400 -0.104 0.000 2.377 319 D HA 0.327 4.998 4.640 0.051 0.000 0.245 319 D C -2.215 174.004 176.300 -0.134 0.000 1.196 319 D CA -1.023 52.921 54.000 -0.093 0.000 0.962 319 D CB 0.947 41.702 40.800 -0.074 0.000 1.127 319 D HN 0.016 nan 8.370 nan 0.000 0.471 320 P HA 0.164 nan 4.420 nan 0.000 0.279 320 P C -0.534 176.746 177.300 -0.033 0.000 1.252 320 P CA -0.546 62.533 63.100 -0.035 0.000 0.811 320 P CB 0.408 32.140 31.700 0.052 0.000 1.035 321 W N 1.364 122.678 121.300 0.023 0.000 2.223 321 W HA 0.238 4.929 4.660 0.051 0.000 0.334 321 W C 0.088 176.619 176.519 0.019 0.000 1.334 321 W CA 0.221 57.570 57.345 0.007 0.000 1.246 321 W CB 0.026 29.479 29.460 -0.013 0.000 1.184 321 W HN 0.108 nan 8.180 nan 0.000 0.563 322 L N 3.430 124.812 121.223 0.264 0.000 2.362 322 L HA 0.452 4.823 4.340 0.051 0.000 0.275 322 L C -0.588 176.348 176.870 0.110 0.000 0.998 322 L CA -1.228 53.718 54.840 0.176 0.000 0.820 322 L CB 1.642 43.786 42.059 0.142 0.000 1.270 322 L HN 0.009 nan 8.230 nan 0.000 0.415 323 V N 3.275 123.235 119.914 0.075 0.000 2.385 323 V HA 0.758 4.908 4.120 0.051 0.000 0.269 323 V C 0.205 176.268 176.094 -0.052 0.000 1.043 323 V CA -0.131 62.146 62.300 -0.039 0.000 0.906 323 V CB 0.912 32.712 31.823 -0.039 0.000 0.995 323 V HN 0.868 nan 8.190 nan 0.000 0.467 324 A N 4.549 127.255 122.820 -0.189 0.000 2.610 324 A HA 0.521 4.872 4.320 0.051 0.000 0.291 324 A C -0.594 176.802 177.584 -0.312 0.000 1.086 324 A CA -0.789 51.158 52.037 -0.149 0.000 0.677 324 A CB 1.270 20.287 19.000 0.028 0.000 1.278 324 A HN 0.656 nan 8.150 nan 0.000 0.414 325 N N 0.709 119.286 118.700 -0.205 0.000 2.497 325 N HA 0.320 5.091 4.740 0.051 0.000 0.268 325 N C -1.089 174.370 175.510 -0.085 0.000 1.171 325 N CA 0.287 53.240 53.050 -0.162 0.000 0.948 325 N CB 0.806 39.320 38.487 0.044 0.000 1.069 325 N HN 0.356 nan 8.380 nan 0.000 0.460 326 V N 3.784 123.632 119.914 -0.110 0.000 2.350 326 V HA 0.157 4.308 4.120 0.051 0.000 0.285 326 V C 0.077 176.167 176.094 -0.007 0.000 1.014 326 V CA -0.934 61.346 62.300 -0.033 0.000 0.831 326 V CB 1.163 32.966 31.823 -0.034 0.000 1.000 326 V HN 0.653 nan 8.190 nan 0.000 0.433 327 E N 2.965 123.136 120.200 -0.048 0.000 2.467 327 E HA -0.047 4.334 4.350 0.051 0.000 0.264 327 E C 0.870 177.407 176.600 -0.104 0.000 1.020 327 E CA 0.331 56.636 56.400 -0.158 0.000 0.945 327 E CB 0.517 30.000 29.700 -0.360 0.000 0.942 327 E HN 0.752 nan 8.360 nan 0.000 0.449 328 Y N 2.319 122.661 120.300 0.070 0.000 2.097 328 Y HA -0.311 4.271 4.550 0.053 0.000 0.282 328 Y C 1.793 177.780 175.900 0.145 0.000 1.152 328 Y CA 1.734 59.902 58.100 0.112 0.000 1.136 328 Y CB -0.854 37.655 38.460 0.081 0.000 0.975 328 Y HN 0.536 nan 8.280 nan 0.000 0.498 329 N N 1.552 120.205 118.700 -0.078 0.000 2.094 329 N HA -0.184 4.587 4.740 0.051 0.000 0.191 329 N C 1.680 177.211 175.510 0.035 0.000 1.023 329 N CA 2.153 55.221 53.050 0.031 0.000 0.857 329 N CB -1.029 37.414 38.487 -0.074 0.000 1.013 329 N HN 0.433 nan 8.380 nan 0.000 0.426 330 V N 0.705 120.612 119.914 -0.011 0.000 2.307 330 V HA -0.177 3.974 4.120 0.051 0.000 0.245 330 V C 2.250 178.433 176.094 0.148 0.000 1.045 330 V CA 1.609 63.940 62.300 0.052 0.000 1.024 330 V CB -1.033 30.818 31.823 0.045 0.000 0.651 330 V HN 0.165 nan 8.190 nan 0.000 0.449 331 F N 1.368 121.359 119.950 0.068 0.000 2.171 331 F HA -0.126 4.432 4.527 0.051 0.000 0.300 331 F C 2.245 178.108 175.800 0.105 0.000 1.090 331 F CA 1.142 59.206 58.000 0.106 0.000 1.293 331 F CB -0.503 38.566 39.000 0.116 0.000 1.013 331 F HN 0.069 nan 8.300 nan 0.000 0.486 332 A N 0.347 123.257 122.820 0.150 0.000 1.851 332 A HA -0.237 4.114 4.320 0.051 0.000 0.216 332 A C 2.131 179.695 177.584 -0.033 0.000 1.195 332 A CA 2.016 54.085 52.037 0.054 0.000 0.622 332 A CB -1.060 18.016 19.000 0.127 0.000 0.831 332 A HN 0.527 nan 8.150 nan 0.000 0.444 333 E N -0.425 119.777 120.200 0.003 0.000 2.058 333 E HA -0.153 4.228 4.350 0.051 0.000 0.194 333 E C 1.993 178.567 176.600 -0.042 0.000 0.997 333 E CA 1.402 57.795 56.400 -0.012 0.000 0.801 333 E CB -0.421 29.282 29.700 0.005 0.000 0.746 333 E HN 0.360 nan 8.360 nan 0.000 0.450 334 V N 1.286 121.173 119.914 -0.046 0.000 2.324 334 V HA -0.302 3.849 4.120 0.051 0.000 0.250 334 V C 2.314 178.341 176.094 -0.112 0.000 1.060 334 V CA 2.047 64.324 62.300 -0.038 0.000 1.042 334 V CB -0.528 31.332 31.823 0.062 0.000 0.650 334 V HN 0.222 nan 8.190 nan 0.000 0.450 335 S N -0.407 115.138 115.700 -0.259 0.000 2.353 335 S HA -0.216 4.285 4.470 0.051 0.000 0.222 335 S C 2.048 176.576 174.600 -0.120 0.000 1.035 335 S CA 1.514 59.554 58.200 -0.267 0.000 1.025 335 S CB -0.397 62.562 63.200 -0.403 0.000 0.902 335 S HN 0.520 nan 8.310 nan 0.000 0.440 336 R N 1.112 121.558 120.500 -0.090 0.000 2.139 336 R HA -0.089 4.282 4.340 0.051 0.000 0.243 336 R C 2.387 178.667 176.300 -0.033 0.000 1.145 336 R CA 1.349 57.420 56.100 -0.048 0.000 0.976 336 R CB -0.490 29.791 30.300 -0.032 0.000 0.866 336 R HN 0.449 nan 8.270 nan 0.000 0.449 337 A N 0.293 123.093 122.820 -0.033 0.000 1.975 337 A HA 0.009 4.360 4.320 0.051 0.000 0.215 337 A C 1.568 179.144 177.584 -0.013 0.000 1.170 337 A CA 0.556 52.580 52.037 -0.021 0.000 0.656 337 A CB 0.247 19.234 19.000 -0.021 0.000 0.821 337 A HN 0.245 nan 8.150 nan 0.000 0.449 338 L N 0.282 121.498 121.223 -0.012 0.000 3.193 338 L HA 0.255 4.626 4.340 0.051 0.000 0.305 338 L C 0.064 176.941 176.870 0.011 0.000 1.299 338 L CA -0.305 54.537 54.840 0.005 0.000 0.904 338 L CB 0.018 42.089 42.059 0.020 0.000 1.331 338 L HN 0.423 nan 8.230 nan 0.000 0.588 339 N N 1.817 120.517 118.700 0.001 0.000 2.429 339 N HA -0.043 4.728 4.740 0.051 0.000 0.271 339 N C -0.495 175.027 175.510 0.021 0.000 1.272 339 N CA 0.134 53.190 53.050 0.009 0.000 0.921 339 N CB 0.457 38.944 38.487 -0.000 0.000 1.128 339 N HN 0.070 nan 8.380 nan 0.000 0.481 340 K N 3.463 123.885 120.400 0.037 0.000 2.426 340 K HA 0.170 4.521 4.320 0.051 0.000 0.254 340 K C -0.436 176.192 176.600 0.047 0.000 0.936 340 K CA -0.913 55.398 56.287 0.040 0.000 0.801 340 K CB 1.053 33.582 32.500 0.048 0.000 1.139 340 K HN 0.614 nan 8.250 nan 0.000 0.424 352 F N 0.904 120.836 119.950 -0.031 0.000 2.457 352 F HA 0.671 5.228 4.527 0.050 0.000 0.330 352 F C 1.213 176.969 175.800 -0.072 0.000 1.069 352 F CA -0.878 57.099 58.000 -0.038 0.000 1.009 352 F CB 1.277 40.257 39.000 -0.034 0.000 1.276 352 F HN 0.023 nan 8.300 nan 0.000 0.492 353 S N 1.768 117.544 115.700 0.127 0.000 2.566 353 S HA 0.013 4.513 4.470 0.051 0.000 0.280 353 S C -1.633 172.891 174.600 -0.128 0.000 1.343 353 S CA -0.728 57.444 58.200 -0.048 0.000 1.036 353 S CB 0.500 63.645 63.200 -0.091 0.000 0.866 353 S HN 0.397 nan 8.310 nan 0.000 0.526 354 P HA -0.016 nan 4.420 nan 0.000 0.214 354 P C -0.015 177.130 177.300 -0.259 0.000 1.162 354 P CA 0.943 63.822 63.100 -0.368 0.000 0.879 354 P CB 0.007 31.296 31.700 -0.686 0.000 0.786 355 F N -0.188 119.678 119.950 -0.140 0.000 2.459 355 F HA 0.271 4.829 4.527 0.051 0.000 0.346 355 F C -1.816 173.865 175.800 -0.198 0.000 1.128 355 F CA -3.411 54.466 58.000 -0.205 0.000 1.268 355 F CB -1.448 37.367 39.000 -0.307 0.000 1.161 355 F HN -0.136 nan 8.300 nan 0.000 0.583 356 P HA 0.246 nan 4.420 nan 0.000 0.274 356 P C -0.180 177.057 177.300 -0.105 0.000 1.231 356 P CA -0.412 62.638 63.100 -0.083 0.000 0.790 356 P CB 0.723 32.364 31.700 -0.099 0.000 0.951 357 G N 0.521 109.249 108.800 -0.119 0.000 2.322 357 G HA2 0.380 4.371 3.960 0.051 0.000 0.309 357 G HA3 0.380 4.371 3.960 0.051 0.000 0.309 357 G C -0.385 174.434 174.900 -0.136 0.000 1.121 357 G CA -0.227 44.796 45.100 -0.128 0.000 0.886 357 G HN 0.440 nan 8.290 nan 0.000 0.447 358 S N 1.023 116.663 115.700 -0.100 0.000 2.489 358 S HA 0.195 4.696 4.470 0.051 0.000 0.277 358 S C 1.272 175.815 174.600 -0.095 0.000 1.230 358 S CA -0.360 57.822 58.200 -0.031 0.000 1.053 358 S CB 1.157 64.406 63.200 0.082 0.000 0.955 358 S HN 1.132 nan 8.310 nan 0.000 0.488 359 V N 2.231 122.068 119.914 -0.128 0.000 3.649 359 V HA 0.381 4.531 4.120 0.051 0.000 0.275 359 V C 0.650 176.735 176.094 -0.015 0.000 1.281 359 V CA 0.403 62.581 62.300 -0.202 0.000 1.143 359 V CB -1.467 30.172 31.823 -0.306 0.000 0.892 359 V HN 0.965 nan 8.190 nan 0.000 0.441 360 N N 0.443 119.151 118.700 0.013 0.000 2.776 360 N HA -0.154 4.617 4.740 0.051 0.000 0.249 360 N C -0.054 175.448 175.510 -0.014 0.000 1.111 360 N CA 1.346 54.396 53.050 0.001 0.000 0.711 360 N CB -1.760 36.718 38.487 -0.016 0.000 1.065 360 N HN 0.736 nan 8.380 nan 0.000 0.556 361 T N 1.219 115.766 114.554 -0.012 0.000 2.738 361 T HA 0.480 4.861 4.350 0.051 0.000 0.298 361 T C 0.531 175.200 174.700 -0.052 0.000 0.962 361 T CA -0.379 61.712 62.100 -0.015 0.000 0.972 361 T CB 0.691 69.541 68.868 -0.029 0.000 0.928 361 T HN 0.099 nan 8.240 nan 0.000 0.474 362 L N 3.873 125.079 121.223 -0.029 0.000 2.296 362 L HA 0.643 5.014 4.340 0.051 0.000 0.286 362 L C -0.428 176.386 176.870 -0.093 0.000 1.023 362 L CA -1.085 53.650 54.840 -0.174 0.000 0.812 362 L CB 1.565 43.550 42.059 -0.123 0.000 1.223 362 L HN 0.288 nan 8.230 nan 0.000 0.421 363 V N 3.848 123.551 119.914 -0.352 0.000 2.409 363 V HA 0.486 4.637 4.120 0.051 0.000 0.291 363 V C -0.520 175.321 176.094 -0.422 0.000 1.020 363 V CA -0.362 61.807 62.300 -0.218 0.000 0.848 363 V CB 1.507 33.258 31.823 -0.121 0.000 0.990 363 V HN 0.406 nan 8.190 nan 0.000 0.430 364 F N 2.430 122.342 119.950 -0.063 0.000 2.546 364 F HA 0.521 5.079 4.527 0.051 0.000 0.320 364 F C 0.315 176.114 175.800 -0.002 0.000 1.076 364 F CA -0.946 57.036 58.000 -0.030 0.000 0.928 364 F CB 1.918 40.943 39.000 0.041 0.000 1.189 364 F HN 0.269 nan 8.300 nan 0.000 0.465 365 K N 2.245 122.791 120.400 0.244 0.000 2.349 365 K HA 0.144 4.495 4.320 0.051 0.000 0.288 365 K C 0.893 177.659 176.600 0.276 0.000 1.058 365 K CA -0.290 56.120 56.287 0.205 0.000 0.953 365 K CB 0.705 33.326 32.500 0.201 0.000 0.997 365 K HN 0.691 nan 8.250 nan 0.000 0.477 366 L N 4.565 125.908 121.223 0.199 0.000 2.012 366 L HA -0.225 4.146 4.340 0.051 0.000 0.210 366 L C 2.136 179.177 176.870 0.283 0.000 1.073 366 L CA 2.419 57.395 54.840 0.226 0.000 0.748 366 L CB -0.839 41.314 42.059 0.157 0.000 0.891 366 L HN 0.889 nan 8.230 nan 0.000 0.431 367 S N -1.959 113.879 115.700 0.230 0.000 2.370 367 S HA -0.197 4.304 4.470 0.051 0.000 0.226 367 S C 2.008 176.759 174.600 0.251 0.000 1.033 367 S CA 1.491 59.819 58.200 0.213 0.000 1.011 367 S CB -0.959 62.343 63.200 0.170 0.000 0.852 367 S HN 0.518 nan 8.310 nan 0.000 0.457 368 S N 0.724 116.619 115.700 0.326 0.000 2.368 368 S HA -0.017 4.484 4.470 0.051 0.000 0.224 368 S C 1.534 176.319 174.600 0.307 0.000 1.029 368 S CA 1.109 59.553 58.200 0.406 0.000 0.988 368 S CB -0.708 62.827 63.200 0.559 0.000 0.838 368 S HN 0.670 nan 8.310 nan 0.000 0.462 369 Y N 2.742 123.194 120.300 0.254 0.000 2.128 369 Y HA -0.215 4.366 4.550 0.052 0.000 0.284 369 Y C 2.206 178.136 175.900 0.050 0.000 1.154 369 Y CA 1.391 59.574 58.100 0.138 0.000 1.149 369 Y CB -0.642 37.829 38.460 0.018 0.000 0.976 369 Y HN 0.025 nan 8.280 nan 0.000 0.505 370 V N 0.616 120.625 119.914 0.160 0.000 2.343 370 V HA -0.311 3.840 4.120 0.051 0.000 0.247 370 V C 2.082 178.150 176.094 -0.043 0.000 1.051 370 V CA 2.138 64.474 62.300 0.061 0.000 1.036 370 V CB -0.753 31.167 31.823 0.162 0.000 0.654 370 V HN 0.402 nan 8.190 nan 0.000 0.451 371 D N -0.064 120.334 120.400 -0.003 0.000 2.104 371 D HA -0.180 4.491 4.640 0.051 0.000 0.194 371 D C 2.426 178.633 176.300 -0.155 0.000 0.994 371 D CA 1.314 55.300 54.000 -0.024 0.000 0.830 371 D CB -0.281 40.565 40.800 0.077 0.000 0.959 371 D HN 0.197 nan 8.370 nan 0.000 0.452 372 R N 0.156 120.459 120.500 -0.328 0.000 2.096 372 R HA -0.034 4.337 4.340 0.051 0.000 0.235 372 R C 2.171 178.218 176.300 -0.421 0.000 1.127 372 R CA 0.274 56.067 56.100 -0.512 0.000 0.968 372 R CB -0.965 28.752 30.300 -0.971 0.000 0.861 372 R HN 0.166 nan 8.270 nan 0.000 0.440 373 L N 0.683 121.640 121.223 -0.444 0.000 1.994 373 L HA -0.160 4.211 4.340 0.051 0.000 0.208 373 L C 1.985 178.695 176.870 -0.267 0.000 1.071 373 L CA 1.855 56.466 54.840 -0.382 0.000 0.745 373 L CB -0.290 41.555 42.059 -0.357 0.000 0.892 373 L HN 0.044 nan 8.230 nan 0.000 0.431 374 R N -0.729 119.699 120.500 -0.119 0.000 2.096 374 R HA -0.214 4.157 4.340 0.051 0.000 0.235 374 R C 2.168 178.410 176.300 -0.098 0.000 1.127 374 R CA 1.412 57.494 56.100 -0.030 0.000 0.968 374 R CB -0.382 29.939 30.300 0.035 0.000 0.861 374 R HN 0.449 nan 8.270 nan 0.000 0.440 375 E N 0.761 120.895 120.200 -0.110 0.000 2.110 375 E HA -0.142 4.239 4.350 0.051 0.000 0.193 375 E C 1.496 178.043 176.600 -0.088 0.000 0.988 375 E CA 1.944 58.296 56.400 -0.081 0.000 0.804 375 E CB 0.046 29.678 29.700 -0.114 0.000 0.745 375 E HN 0.288 nan 8.360 nan 0.000 0.458 376 S N -1.921 113.675 115.700 -0.173 0.000 2.524 376 S HA 0.110 4.611 4.470 0.051 0.000 0.215 376 S C -0.091 174.385 174.600 -0.207 0.000 0.986 376 S CA 0.211 58.299 58.200 -0.186 0.000 0.911 376 S CB -0.237 62.835 63.200 -0.212 0.000 0.805 376 S HN 0.391 nan 8.310 nan 0.000 0.501 377 H N 1.074 119.715 119.070 -0.715 0.000 2.861 377 H HA -0.115 4.472 4.556 0.051 0.000 0.289 377 H C 1.328 176.190 175.328 -0.777 0.000 1.176 377 H CA 0.602 55.877 56.048 -1.287 0.000 1.146 377 H CB -1.870 27.468 29.762 -0.706 0.000 1.330 377 H HN 0.948 nan 8.280 nan 0.000 0.379 378 G N -1.153 107.410 108.800 -0.395 0.000 2.168 378 G HA2 -0.318 3.673 3.960 0.051 0.000 0.263 378 G HA3 -0.318 3.673 3.960 0.051 0.000 0.263 378 G C 0.245 175.121 174.900 -0.041 0.000 0.977 378 G CA 0.202 45.225 45.100 -0.128 0.000 0.659 378 G HN 0.447 nan 8.290 nan 0.000 0.533 379 I N 1.451 121.962 120.570 -0.099 0.000 2.416 379 I HA 0.443 4.644 4.170 0.051 0.000 0.288 379 I C 1.085 177.182 176.117 -0.034 0.000 1.051 379 I CA -0.871 60.397 61.300 -0.054 0.000 1.375 379 I CB 0.703 38.639 38.000 -0.107 0.000 1.407 379 I HN 0.310 nan 8.210 nan 0.000 0.516 380 V N 5.570 125.506 119.914 0.037 0.000 2.919 380 V HA 0.693 4.844 4.120 0.051 0.000 0.316 380 V C -2.551 173.591 176.094 0.080 0.000 1.077 380 V CA -2.428 59.902 62.300 0.050 0.000 0.977 380 V CB 1.275 33.154 31.823 0.093 0.000 1.039 380 V HN 0.513 nan 8.190 nan 0.000 0.441 381 P HA 0.206 nan 4.420 nan 0.000 0.265 381 P C -0.480 176.908 177.300 0.146 0.000 1.187 381 P CA 0.390 63.550 63.100 0.101 0.000 0.766 381 P CB 0.276 32.038 31.700 0.104 0.000 0.820 382 E N 1.149 121.435 120.200 0.142 0.000 2.264 382 E HA 0.691 5.072 4.350 0.051 0.000 0.260 382 E C -0.566 176.159 176.600 0.208 0.000 0.961 382 E CA -0.619 55.858 56.400 0.129 0.000 0.834 382 E CB 1.117 30.882 29.700 0.109 0.000 1.230 382 E HN 0.443 nan 8.360 nan 0.000 0.412 383 F N -0.942 119.013 119.950 0.007 0.000 2.745 383 F HA 0.713 5.271 4.527 0.051 0.000 0.316 383 F C -1.640 174.159 175.800 -0.002 0.000 1.155 383 F CA -1.166 56.834 58.000 0.000 0.000 0.937 383 F CB 1.143 40.136 39.000 -0.011 0.000 1.361 383 F HN 0.384 nan 8.300 nan 0.000 0.472 384 I N 1.572 122.231 120.570 0.148 0.000 2.656 384 I HA 0.484 4.685 4.170 0.051 0.000 0.292 384 I C -1.772 174.451 176.117 0.176 0.000 1.144 384 I CA -0.541 60.777 61.300 0.030 0.000 1.038 384 I CB 2.070 40.083 38.000 0.021 0.000 1.244 384 I HN 0.834 nan 8.210 nan 0.000 0.420 385 N N 7.366 126.127 118.700 0.101 0.000 2.733 385 N HA 0.486 5.257 4.740 0.051 0.000 0.271 385 N C -2.777 172.678 175.510 -0.092 0.000 1.720 385 N CA -1.366 51.738 53.050 0.090 0.000 0.803 385 N CB 0.759 39.372 38.487 0.211 0.000 1.208 385 N HN 0.214 nan 8.380 nan 0.000 0.498 386 P HA 0.140 nan 4.420 nan 0.000 0.269 386 P C -0.680 176.260 177.300 -0.600 0.000 1.209 386 P CA -0.091 62.612 63.100 -0.662 0.000 0.776 386 P CB 0.620 31.613 31.700 -1.178 0.000 0.876 387 K N 2.613 122.697 120.400 -0.526 0.000 2.253 387 K HA 0.292 4.642 4.320 0.051 0.000 0.277 387 K C -1.218 175.214 176.600 -0.280 0.000 1.053 387 K CA -0.365 55.757 56.287 -0.275 0.000 0.892 387 K CB -0.309 32.119 32.500 -0.121 0.000 1.102 387 K HN 0.267 nan 8.250 nan 0.000 0.469 388 Y N 1.393 121.728 120.300 0.058 0.000 2.335 388 Y HA 0.088 4.668 4.550 0.051 0.000 0.323 388 Y C 1.821 177.782 175.900 0.103 0.000 1.224 388 Y CA 0.149 58.329 58.100 0.134 0.000 1.241 388 Y CB 1.587 40.128 38.460 0.134 0.000 1.235 388 Y HN 0.789 nan 8.280 nan 0.000 0.492 389 S N -0.716 115.151 115.700 0.280 0.000 2.371 389 S HA -0.010 4.491 4.470 0.051 0.000 0.224 389 S C -0.061 174.628 174.600 0.147 0.000 1.029 389 S CA 0.970 59.273 58.200 0.172 0.000 0.978 389 S CB 0.034 63.318 63.200 0.141 0.000 0.833 389 S HN 0.645 nan 8.310 nan 0.000 0.466 390 D N -0.408 120.089 120.400 0.160 0.000 2.559 390 D HA 0.347 5.018 4.640 0.051 0.000 0.250 390 D C 0.431 176.767 176.300 0.061 0.000 1.135 390 D CA -0.628 53.428 54.000 0.094 0.000 0.955 390 D CB 1.343 42.178 40.800 0.059 0.000 1.442 390 D HN 0.101 nan 8.370 nan 0.000 0.471 391 E N -0.604 119.603 120.200 0.011 0.000 2.158 391 E HA -0.093 4.288 4.350 0.051 0.000 0.191 391 E C 1.209 177.752 176.600 -0.094 0.000 0.982 391 E CA 1.228 57.596 56.400 -0.053 0.000 0.823 391 E CB 0.389 30.073 29.700 -0.028 0.000 0.766 391 E HN 0.549 nan 8.360 nan 0.000 0.468 392 T N -2.141 112.386 114.554 -0.046 0.000 3.046 392 T HA 0.141 4.522 4.350 0.051 0.000 0.242 392 T C 1.864 176.544 174.700 -0.033 0.000 1.018 392 T CA -0.282 61.791 62.100 -0.046 0.000 1.131 392 T CB -0.130 68.723 68.868 -0.024 0.000 0.904 392 T HN -0.059 nan 8.240 nan 0.000 0.459 393 R N 0.840 121.338 120.500 -0.003 0.000 2.241 393 R HA 0.080 4.450 4.340 0.051 0.000 0.224 393 R C 1.474 177.790 176.300 0.026 0.000 1.101 393 R CA 0.788 56.897 56.100 0.015 0.000 0.995 393 R CB -0.286 30.035 30.300 0.034 0.000 0.870 393 R HN 0.312 nan 8.270 nan 0.000 0.463 394 R N -0.373 120.144 120.500 0.029 0.000 3.977 394 R HA -0.156 4.215 4.340 0.051 0.000 0.428 394 R C -0.305 176.136 176.300 0.234 0.000 1.079 394 R CA 1.194 57.335 56.100 0.068 0.000 1.269 394 R CB -2.231 28.072 30.300 0.004 0.000 1.856 394 R HN 0.135 nan 8.270 nan 0.000 0.551 395 S N 0.480 116.290 115.700 0.184 0.000 2.548 395 S HA 0.465 4.966 4.470 0.051 0.000 0.277 395 S C -0.067 174.737 174.600 0.339 0.000 1.315 395 S CA -0.638 57.643 58.200 0.134 0.000 1.050 395 S CB 0.100 63.347 63.200 0.077 0.000 0.918 395 S HN 0.195 nan 8.310 nan 0.000 0.497 396 F N 3.489 123.492 119.950 0.088 0.000 2.459 396 F HA 0.309 4.868 4.527 0.052 0.000 0.346 396 F C 1.515 177.323 175.800 0.013 0.000 1.128 396 F CA -0.724 57.269 58.000 -0.012 0.000 1.268 396 F CB 0.571 39.544 39.000 -0.046 0.000 1.161 396 F HN 0.708 nan 8.300 nan 0.000 0.583 397 K N 0.809 121.314 120.400 0.175 0.000 2.211 397 K HA 0.002 4.353 4.320 0.051 0.000 0.201 397 K C -0.050 176.599 176.600 0.080 0.000 1.052 397 K CA 0.763 57.114 56.287 0.107 0.000 0.973 397 K CB 0.361 32.904 32.500 0.071 0.000 0.766 397 K HN 0.717 nan 8.250 nan 0.000 0.466 398 K N 0.192 120.624 120.400 0.054 0.000 2.546 398 K HA 0.367 4.718 4.320 0.051 0.000 0.264 398 K C -3.106 173.508 176.600 0.024 0.000 0.937 398 K CA -2.026 54.284 56.287 0.039 0.000 0.833 398 K CB 1.738 34.240 32.500 0.004 0.000 1.378 398 K HN -0.308 nan 8.250 nan 0.000 0.432 399 P HA -0.032 nan 4.420 nan 0.000 0.264 399 P C -0.930 176.345 177.300 -0.042 0.000 1.183 399 P CA 0.164 63.323 63.100 0.098 0.000 0.763 399 P CB 0.677 32.420 31.700 0.072 0.000 0.807 400 A N 3.615 126.379 122.820 -0.094 0.000 2.264 400 A HA 0.800 5.151 4.320 0.051 0.000 0.304 400 A C 0.137 177.683 177.584 -0.064 0.000 1.100 400 A CA -0.243 51.681 52.037 -0.187 0.000 0.839 400 A CB 0.770 19.513 19.000 -0.429 0.000 1.121 400 A HN 0.623 nan 8.150 nan 0.000 0.496 401 R N 0.668 121.121 120.500 -0.079 0.000 2.799 401 R HA 0.535 4.906 4.340 0.051 0.000 0.270 401 R C -1.665 174.610 176.300 -0.042 0.000 1.010 401 R CA -0.733 55.325 56.100 -0.070 0.000 0.916 401 R CB 0.027 30.295 30.300 -0.053 0.000 1.228 401 R HN 0.544 nan 8.270 nan 0.000 0.469 402 I N 1.619 122.205 120.570 0.026 0.000 2.529 402 I HA 0.172 4.372 4.170 0.051 0.000 0.284 402 I C 0.622 176.616 176.117 -0.206 0.000 1.082 402 I CA 0.245 61.510 61.300 -0.059 0.000 1.406 402 I CB 0.684 38.700 38.000 0.026 0.000 1.405 402 I HN 0.475 nan 8.210 nan 0.000 0.548 403 E N 3.649 123.453 120.200 -0.660 0.000 2.393 403 E HA 0.677 5.058 4.350 0.051 0.000 0.265 403 E C -1.167 174.875 176.600 -0.931 0.000 0.941 403 E CA -0.846 55.000 56.400 -0.923 0.000 0.801 403 E CB 2.296 31.411 29.700 -0.975 0.000 1.313 403 E HN 0.665 nan 8.360 nan 0.000 0.435 404 S N 0.100 115.424 115.700 -0.626 0.000 2.550 404 S HA 0.600 5.100 4.470 0.051 0.000 0.270 404 S C -1.274 173.320 174.600 -0.011 0.000 1.145 404 S CA -0.938 57.163 58.200 -0.165 0.000 0.852 404 S CB 0.717 63.847 63.200 -0.117 0.000 1.119 404 S HN 0.361 nan 8.310 nan 0.000 0.465 405 L N 2.698 124.037 121.223 0.193 0.000 2.329 405 L HA 0.481 4.852 4.340 0.051 0.000 0.279 405 L C 1.661 178.793 176.870 0.437 0.000 1.014 405 L CA -1.045 53.971 54.840 0.294 0.000 0.814 405 L CB 1.769 44.043 42.059 0.359 0.000 1.257 405 L HN 1.029 nan 8.230 nan 0.000 0.424 406 M N 1.124 121.117 119.600 0.655 0.000 2.213 406 M HA -0.159 4.352 4.480 0.051 0.000 0.263 406 M C 1.718 178.210 176.300 0.320 0.000 1.062 406 M CA 1.499 57.026 55.300 0.379 0.000 1.105 406 M CB -0.382 32.219 32.600 0.003 0.000 1.385 406 M HN 0.737 nan 8.290 nan 0.000 0.417 407 Q N 0.254 120.178 119.800 0.207 0.000 2.369 407 Q HA -0.128 4.243 4.340 0.051 0.000 0.206 407 Q C 0.425 176.551 176.000 0.210 0.000 0.963 407 Q CA 1.374 57.270 55.803 0.155 0.000 0.894 407 Q CB -0.798 28.056 28.738 0.195 0.000 0.965 407 Q HN 0.537 nan 8.270 nan 0.000 0.475 408 D N 1.287 121.818 120.400 0.218 0.000 2.378 408 D HA 0.019 4.690 4.640 0.051 0.000 0.227 408 D C 1.566 177.953 176.300 0.145 0.000 1.012 408 D CA 0.106 54.219 54.000 0.188 0.000 0.905 408 D CB -0.140 40.770 40.800 0.183 0.000 0.895 408 D HN 0.350 nan 8.370 nan 0.000 0.532 409 I N 0.265 120.889 120.570 0.090 0.000 2.756 409 I HA -0.202 3.999 4.170 0.051 0.000 0.262 409 I C 1.861 178.134 176.117 0.259 0.000 1.225 409 I CA 0.349 61.658 61.300 0.015 0.000 1.472 409 I CB 0.211 38.013 38.000 -0.332 0.000 1.094 409 I HN -0.099 nan 8.210 nan 0.000 0.454 410 A N 0.645 123.620 122.820 0.259 0.000 2.070 410 A HA -0.120 4.231 4.320 0.051 0.000 0.220 410 A C 2.086 179.873 177.584 0.338 0.000 1.159 410 A CA 1.022 53.243 52.037 0.306 0.000 0.656 410 A CB -0.627 18.589 19.000 0.360 0.000 0.800 410 A HN 0.535 nan 8.150 nan 0.000 0.453 411 L N -0.827 120.540 121.223 0.240 0.000 2.376 411 L HA -0.041 4.330 4.340 0.051 0.000 0.219 411 L C 1.713 178.668 176.870 0.141 0.000 1.133 411 L CA 0.474 55.419 54.840 0.175 0.000 0.816 411 L CB -0.329 41.809 42.059 0.130 0.000 0.933 411 L HN 0.360 nan 8.230 nan 0.000 0.449 412 L N -1.429 119.869 121.223 0.124 0.000 2.591 412 L HA 0.062 4.433 4.340 0.051 0.000 0.228 412 L C -0.014 176.748 176.870 -0.180 0.000 1.133 412 L CA 0.027 54.827 54.840 -0.067 0.000 0.880 412 L CB -0.065 41.862 42.059 -0.220 0.000 1.033 412 L HN 0.075 nan 8.230 nan 0.000 0.450 413 F N 0.895 120.833 119.950 -0.021 0.000 2.309 413 F HA 0.173 4.731 4.527 0.052 0.000 0.366 413 F C 1.163 177.058 175.800 0.157 0.000 1.104 413 F CA -0.895 57.097 58.000 -0.013 0.000 1.179 413 F CB 0.681 39.642 39.000 -0.065 0.000 1.437 413 F HN -0.073 nan 8.300 nan 0.000 0.528 414 S N 0.702 116.594 115.700 0.320 0.000 2.568 414 S HA -0.037 4.464 4.470 0.051 0.000 0.282 414 S C 1.170 175.946 174.600 0.294 0.000 1.338 414 S CA -0.546 57.809 58.200 0.258 0.000 1.045 414 S CB 1.061 64.370 63.200 0.182 0.000 0.873 414 S HN 0.802 nan 8.310 nan 0.000 0.516 415 E N 0.788 121.121 120.200 0.222 0.000 2.409 415 E HA -0.158 4.223 4.350 0.051 0.000 0.198 415 E C 0.505 177.195 176.600 0.149 0.000 1.024 415 E CA 0.820 57.336 56.400 0.194 0.000 0.861 415 E CB -0.022 29.788 29.700 0.182 0.000 0.788 415 E HN 0.733 nan 8.360 nan 0.000 0.521 416 D N 0.451 120.928 120.400 0.129 0.000 2.213 416 D HA -0.075 4.596 4.640 0.051 0.000 0.205 416 D C 0.690 177.004 176.300 0.024 0.000 0.961 416 D CA 0.927 54.971 54.000 0.074 0.000 0.853 416 D CB 0.168 41.004 40.800 0.060 0.000 0.967 416 D HN 0.242 nan 8.370 nan 0.000 0.496 417 D N -1.767 118.641 120.400 0.014 0.000 2.423 417 D HA 0.076 4.747 4.640 0.051 0.000 0.208 417 D C -0.277 175.755 176.300 -0.446 0.000 1.068 417 D CA 0.267 54.126 54.000 -0.236 0.000 0.860 417 D CB 0.541 41.151 40.800 -0.317 0.000 0.992 417 D HN 0.165 nan 8.370 nan 0.000 0.504 418 Y N -0.279 120.113 120.300 0.154 0.000 2.581 418 Y HA 0.506 5.087 4.550 0.052 0.000 0.345 418 Y C -0.149 175.848 175.900 0.161 0.000 1.036 418 Y CA -1.198 57.025 58.100 0.205 0.000 1.042 418 Y CB 1.604 40.292 38.460 0.380 0.000 1.289 418 Y HN -0.497 nan 8.280 nan 0.000 0.471 419 R N 1.582 122.272 120.500 0.316 0.000 2.247 419 R HA 0.592 4.963 4.340 0.051 0.000 0.329 419 R C -1.603 174.791 176.300 0.157 0.000 1.014 419 R CA -0.553 55.665 56.100 0.198 0.000 0.907 419 R CB 1.026 31.420 30.300 0.155 0.000 1.146 419 R HN 0.336 nan 8.270 nan 0.000 0.499 420 V N 2.637 122.630 119.914 0.132 0.000 2.370 420 V HA 0.705 4.855 4.120 0.051 0.000 0.283 420 V C 0.589 176.741 176.094 0.097 0.000 1.023 420 V CA -0.520 61.828 62.300 0.080 0.000 0.857 420 V CB 1.524 33.403 31.823 0.093 0.000 0.985 420 V HN 0.944 nan 8.190 nan 0.000 0.443 421 G N 2.650 111.525 108.800 0.126 0.000 2.921 421 G HA2 0.819 4.809 3.960 0.051 0.000 0.291 421 G HA3 0.819 4.809 3.960 0.051 0.000 0.291 421 G C -0.660 174.345 174.900 0.175 0.000 1.370 421 G CA -0.317 44.865 45.100 0.137 0.000 0.847 421 G HN 1.012 nan 8.290 nan 0.000 0.532 422 G N -1.213 107.667 108.800 0.135 0.000 2.620 422 G HA2 0.574 4.565 3.960 0.051 0.000 0.301 422 G HA3 0.574 4.565 3.960 0.051 0.000 0.301 422 G C -1.091 173.890 174.900 0.135 0.000 1.347 422 G CA -0.322 44.855 45.100 0.128 0.000 0.971 422 G HN 0.583 nan 8.290 nan 0.000 0.488 423 T N 0.731 115.354 114.554 0.115 0.000 2.797 423 T HA 0.497 4.878 4.350 0.051 0.000 0.279 423 T C -0.159 174.485 174.700 -0.093 0.000 0.991 423 T CA -0.336 61.764 62.100 0.000 0.000 0.979 423 T CB 1.727 70.578 68.868 -0.028 0.000 0.943 423 T HN 0.358 nan 8.240 nan 0.000 0.444 424 V N 4.632 124.414 119.914 -0.220 0.000 2.350 424 V HA 0.498 4.649 4.120 0.051 0.000 0.276 424 V C -0.580 175.328 176.094 -0.310 0.000 1.028 424 V CA -0.657 61.539 62.300 -0.172 0.000 0.860 424 V CB 0.017 31.758 31.823 -0.137 0.000 0.990 424 V HN 0.737 nan 8.190 nan 0.000 0.453 425 F N 1.403 121.340 119.950 -0.022 0.000 2.509 425 F HA 0.482 5.040 4.527 0.052 0.000 0.334 425 F C 0.939 176.736 175.800 -0.005 0.000 1.060 425 F CA -0.997 57.006 58.000 0.004 0.000 0.997 425 F CB 0.930 39.946 39.000 0.027 0.000 1.271 425 F HN 0.415 nan 8.300 nan 0.000 0.488 426 E N 0.527 120.879 120.200 0.253 0.000 2.442 426 E HA 0.030 4.411 4.350 0.051 0.000 0.262 426 E C 0.801 177.523 176.600 0.204 0.000 1.004 426 E CA 0.078 56.593 56.400 0.191 0.000 0.928 426 E CB 0.576 30.422 29.700 0.244 0.000 0.937 426 E HN 0.489 nan 8.360 nan 0.000 0.446 427 R N 1.699 122.294 120.500 0.159 0.000 2.120 427 R HA -0.166 4.205 4.340 0.051 0.000 0.234 427 R C 1.974 178.444 176.300 0.284 0.000 1.123 427 R CA 0.981 57.195 56.100 0.190 0.000 0.975 427 R CB -0.262 30.140 30.300 0.169 0.000 0.866 427 R HN 0.577 nan 8.270 nan 0.000 0.446 428 F N 1.885 121.924 119.950 0.148 0.000 2.250 428 F HA -0.194 4.361 4.527 0.048 0.000 0.301 428 F C 2.151 178.029 175.800 0.130 0.000 1.077 428 F CA 1.560 59.639 58.000 0.131 0.000 1.348 428 F CB -0.137 38.924 39.000 0.102 0.000 1.040 428 F HN -0.045 nan 8.300 nan 0.000 0.509 429 S N -1.431 114.328 115.700 0.097 0.000 2.607 429 S HA -0.123 4.378 4.470 0.051 0.000 0.224 429 S C 0.369 174.964 174.600 -0.008 0.000 0.969 429 S CA -0.144 58.043 58.200 -0.021 0.000 0.927 429 S CB -1.042 62.185 63.200 0.045 0.000 0.772 429 S HN 0.389 nan 8.310 nan 0.000 0.533 430 Y N 2.918 123.168 120.300 -0.084 0.000 2.434 430 Y HA 0.477 5.059 4.550 0.054 0.000 0.341 430 Y C -0.018 175.870 175.900 -0.021 0.000 0.965 430 Y CA -1.175 56.890 58.100 -0.059 0.000 1.205 430 Y CB 0.524 38.968 38.460 -0.026 0.000 1.121 430 Y HN 0.220 nan 8.280 nan 0.000 0.507 431 Q N 8.021 127.635 119.800 -0.311 0.000 2.506 431 Q HA 0.263 4.634 4.340 0.051 0.000 0.380 431 Q C -2.652 173.189 176.000 -0.265 0.000 0.867 431 Q CA -1.942 53.712 55.803 -0.248 0.000 1.093 431 Q CB 0.939 29.561 28.738 -0.193 0.000 1.388 431 Q HN 0.495 nan 8.270 nan 0.000 0.400 432 P HA 0.044 nan 4.420 nan 0.000 0.271 432 P C -0.191 177.005 177.300 -0.173 0.000 1.218 432 P CA -0.114 62.764 63.100 -0.369 0.000 0.780 432 P CB 1.525 32.890 31.700 -0.557 0.000 0.901 433 V N 4.412 124.228 119.914 -0.164 0.000 2.277 433 V HA 0.165 4.316 4.120 0.051 0.000 0.269 433 V C 1.339 177.380 176.094 -0.087 0.000 1.036 433 V CA 0.129 62.372 62.300 -0.096 0.000 0.821 433 V CB 0.188 31.948 31.823 -0.105 0.000 1.052 433 V HN 0.712 nan 8.190 nan 0.000 0.462 434 K N 1.891 122.271 120.400 -0.033 0.000 2.538 434 K HA 0.324 4.674 4.320 0.051 0.000 0.215 434 K C 0.179 176.793 176.600 0.022 0.000 1.345 434 K CA -0.405 55.871 56.287 -0.018 0.000 0.985 434 K CB 0.748 33.225 32.500 -0.037 0.000 1.116 434 K HN 0.462 nan 8.250 nan 0.000 0.582 435 N N 2.174 120.901 118.700 0.044 0.000 2.417 435 N HA 0.143 4.914 4.740 0.051 0.000 0.300 435 N C -0.602 174.939 175.510 0.051 0.000 1.102 435 N CA -0.282 52.801 53.050 0.055 0.000 0.886 435 N CB 2.001 40.532 38.487 0.073 0.000 1.203 435 N HN 0.285 nan 8.380 nan 0.000 0.496 436 S N 0.429 116.161 115.700 0.053 0.000 2.608 436 S HA 0.130 4.631 4.470 0.051 0.000 0.261 436 S C 1.454 176.096 174.600 0.072 0.000 1.314 436 S CA -0.503 57.728 58.200 0.052 0.000 0.992 436 S CB 0.600 63.830 63.200 0.049 0.000 0.935 436 S HN 0.390 nan 8.310 nan 0.000 0.564 437 L N 1.093 122.355 121.223 0.066 0.000 2.042 437 L HA -0.059 4.312 4.340 0.051 0.000 0.210 437 L C 2.786 179.726 176.870 0.116 0.000 1.076 437 L CA 2.249 57.146 54.840 0.096 0.000 0.749 437 L CB -1.270 40.812 42.059 0.038 0.000 0.893 437 L HN 1.024 nan 8.230 nan 0.000 0.432 438 E N -0.645 119.602 120.200 0.078 0.000 2.051 438 E HA -0.243 4.138 4.350 0.051 0.000 0.192 438 E C 1.974 178.624 176.600 0.084 0.000 0.991 438 E CA 1.398 57.844 56.400 0.076 0.000 0.799 438 E CB -0.025 29.707 29.700 0.054 0.000 0.748 438 E HN 0.570 nan 8.360 nan 0.000 0.449 439 E N 0.213 120.458 120.200 0.075 0.000 2.058 439 E HA -0.225 4.156 4.350 0.051 0.000 0.194 439 E C 2.075 178.719 176.600 0.073 0.000 0.997 439 E CA 1.030 57.471 56.400 0.068 0.000 0.801 439 E CB -0.194 29.542 29.700 0.061 0.000 0.746 439 E HN 0.380 nan 8.360 nan 0.000 0.450 440 A N 1.563 124.440 122.820 0.095 0.000 1.908 440 A HA -0.171 4.180 4.320 0.051 0.000 0.218 440 A C 2.410 180.049 177.584 0.091 0.000 1.181 440 A CA 1.797 53.876 52.037 0.069 0.000 0.627 440 A CB -0.785 18.296 19.000 0.135 0.000 0.818 440 A HN 0.306 nan 8.150 nan 0.000 0.445 441 A N -0.384 122.577 122.820 0.236 0.000 1.859 441 A HA 0.024 4.375 4.320 0.051 0.000 0.217 441 A C 2.519 180.171 177.584 0.114 0.000 1.198 441 A CA 2.293 54.474 52.037 0.241 0.000 0.629 441 A CB -1.639 17.477 19.000 0.193 0.000 0.830 441 A HN 0.865 nan 8.150 nan 0.000 0.446 442 G N -0.390 108.460 108.800 0.083 0.000 2.476 442 G HA2 -0.228 3.763 3.960 0.051 0.000 0.218 442 G HA3 -0.228 3.763 3.960 0.051 0.000 0.218 442 G C 1.595 176.514 174.900 0.033 0.000 1.164 442 G CA 1.202 46.335 45.100 0.055 0.000 0.768 442 G HN 0.441 nan 8.290 nan 0.000 0.560 443 L N -0.010 121.224 121.223 0.018 0.000 1.994 443 L HA -0.098 4.273 4.340 0.051 0.000 0.208 443 L C 3.043 179.889 176.870 -0.040 0.000 1.071 443 L CA 0.634 55.470 54.840 -0.008 0.000 0.745 443 L CB -0.617 41.433 42.059 -0.015 0.000 0.892 443 L HN 0.096 nan 8.230 nan 0.000 0.431 444 V N 0.207 120.067 119.914 -0.089 0.000 2.380 444 V HA -0.354 3.797 4.120 0.051 0.000 0.251 444 V C 2.744 178.818 176.094 -0.034 0.000 1.063 444 V CA 1.868 64.096 62.300 -0.121 0.000 1.055 444 V CB -0.950 30.740 31.823 -0.222 0.000 0.657 444 V HN 0.519 nan 8.190 nan 0.000 0.455 445 A N -0.720 122.105 122.820 0.008 0.000 1.933 445 A HA -0.278 4.073 4.320 0.051 0.000 0.218 445 A C 2.071 179.662 177.584 0.013 0.000 1.175 445 A CA 1.770 53.821 52.037 0.023 0.000 0.628 445 A CB -0.446 18.577 19.000 0.038 0.000 0.814 445 A HN 0.657 nan 8.150 nan 0.000 0.444 446 Q N -1.414 118.391 119.800 0.008 0.000 2.482 446 Q HA 0.248 4.619 4.340 0.051 0.000 0.209 446 Q C 1.079 177.079 176.000 0.001 0.000 0.961 446 Q CA 0.367 56.175 55.803 0.009 0.000 0.945 446 Q CB -0.062 28.684 28.738 0.014 0.000 1.012 446 Q HN 0.896 nan 8.270 nan 0.000 0.515 447 G N 0.912 109.705 108.800 -0.010 0.000 2.143 447 G HA2 -0.274 3.717 3.960 0.051 0.000 0.249 447 G HA3 -0.274 3.717 3.960 0.051 0.000 0.249 447 G C -0.225 174.663 174.900 -0.021 0.000 0.981 447 G CA 0.204 45.294 45.100 -0.017 0.000 0.665 447 G HN 0.400 nan 8.290 nan 0.000 0.528 448 N N -0.361 118.323 118.700 -0.026 0.000 2.478 448 N HA 0.588 5.359 4.740 0.051 0.000 0.275 448 N C 0.749 176.209 175.510 -0.083 0.000 1.221 448 N CA 0.074 53.116 53.050 -0.014 0.000 0.979 448 N CB 0.703 39.202 38.487 0.020 0.000 1.202 448 N HN 0.370 nan 8.380 nan 0.000 0.564 449 G N -1.036 107.719 108.800 -0.075 0.000 2.406 449 G HA2 0.358 4.349 3.960 0.051 0.000 0.251 449 G HA3 0.358 4.349 3.960 0.051 0.000 0.251 449 G C 0.645 175.318 174.900 -0.378 0.000 1.271 449 G CA -0.276 44.608 45.100 -0.360 0.000 0.859 449 G HN 0.633 nan 8.290 nan 0.000 0.540 450 A N 2.554 125.059 122.820 -0.525 0.000 1.872 450 A HA 0.151 4.502 4.320 0.051 0.000 0.214 450 A C 1.056 178.547 177.584 -0.156 0.000 1.187 450 A CA 1.009 52.831 52.037 -0.358 0.000 0.614 450 A CB -0.677 18.001 19.000 -0.536 0.000 0.826 450 A HN 1.114 nan 8.150 nan 0.000 0.442 451 Y N -1.567 118.672 120.300 -0.102 0.000 3.108 451 Y HA -0.261 4.323 4.550 0.056 0.000 0.208 451 Y C 0.976 176.831 175.900 -0.075 0.000 1.245 451 Y CA -0.282 57.753 58.100 -0.108 0.000 1.171 451 Y CB -2.882 35.504 38.460 -0.124 0.000 1.331 451 Y HN 0.711 nan 8.280 nan 0.000 0.534 452 C N -3.762 115.567 119.300 0.048 0.000 2.656 452 C HA 0.918 5.409 4.460 0.051 0.000 0.404 452 C C 1.986 176.992 174.990 0.026 0.000 1.423 452 C CA -0.386 58.664 59.018 0.053 0.000 1.784 452 C CB 1.205 29.007 27.740 0.104 0.000 2.093 452 C HN 0.605 nan 8.230 nan 0.000 0.492 453 A N 0.252 123.068 122.820 -0.006 0.000 1.933 453 A HA 0.195 4.545 4.320 0.051 0.000 0.218 453 A C 2.288 179.857 177.584 -0.025 0.000 1.175 453 A CA 2.400 54.403 52.037 -0.057 0.000 0.628 453 A CB -1.350 17.572 19.000 -0.131 0.000 0.814 453 A HN 1.577 nan 8.150 nan 0.000 0.444 454 A N -0.145 122.700 122.820 0.042 0.000 1.877 454 A HA -0.123 4.228 4.320 0.051 0.000 0.216 454 A C 2.456 180.177 177.584 0.228 0.000 1.186 454 A CA 2.610 54.775 52.037 0.213 0.000 0.620 454 A CB -1.365 17.812 19.000 0.296 0.000 0.822 454 A HN 0.753 nan 8.150 nan 0.000 0.443 455 T N -2.992 111.658 114.554 0.160 0.000 2.942 455 T HA 0.119 4.500 4.350 0.051 0.000 0.265 455 T C 1.889 176.598 174.700 0.016 0.000 1.062 455 T CA 1.339 63.489 62.100 0.083 0.000 1.139 455 T CB -0.704 68.154 68.868 -0.017 0.000 0.883 455 T HN 0.401 nan 8.240 nan 0.000 0.468 456 G N 1.406 110.205 108.800 -0.002 0.000 2.421 456 G HA2 -0.229 3.762 3.960 0.051 0.000 0.216 456 G HA3 -0.229 3.762 3.960 0.051 0.000 0.216 456 G C 1.438 176.285 174.900 -0.088 0.000 1.171 456 G CA 0.960 46.036 45.100 -0.041 0.000 0.775 456 G HN 0.658 nan 8.290 nan 0.000 0.543 457 E N 0.453 120.595 120.200 -0.097 0.000 2.051 457 E HA -0.007 4.374 4.350 0.051 0.000 0.192 457 E C 2.764 179.188 176.600 -0.294 0.000 0.991 457 E CA 1.093 57.350 56.400 -0.238 0.000 0.799 457 E CB -0.303 29.345 29.700 -0.088 0.000 0.748 457 E HN 0.314 nan 8.360 nan 0.000 0.449 458 A N 1.223 124.016 122.820 -0.045 0.000 1.908 458 A HA -0.145 4.206 4.320 0.051 0.000 0.218 458 A C 2.433 180.049 177.584 0.054 0.000 1.181 458 A CA 1.987 54.047 52.037 0.038 0.000 0.627 458 A CB -0.938 18.125 19.000 0.104 0.000 0.818 458 A HN 0.441 nan 8.150 nan 0.000 0.445 459 A N -1.428 121.410 122.820 0.029 0.000 1.933 459 A HA -0.040 4.311 4.320 0.051 0.000 0.218 459 A C 2.047 179.628 177.584 -0.005 0.000 1.175 459 A CA 1.570 53.624 52.037 0.028 0.000 0.628 459 A CB -0.687 18.216 19.000 -0.162 0.000 0.814 459 A HN 0.660 nan 8.150 nan 0.000 0.444 460 F N -0.465 119.350 119.950 -0.225 0.000 2.102 460 F HA -0.184 4.371 4.527 0.048 0.000 0.298 460 F C 2.140 177.889 175.800 -0.086 0.000 1.105 460 F CA 1.743 59.600 58.000 -0.238 0.000 1.239 460 F CB -0.353 38.402 39.000 -0.408 0.000 0.991 460 F HN 0.307 nan 8.300 nan 0.000 0.474 461 Y N 0.533 120.873 120.300 0.067 0.000 2.128 461 Y HA -0.204 4.373 4.550 0.044 0.000 0.284 461 Y C 2.537 178.367 175.900 -0.117 0.000 1.154 461 Y CA 1.521 59.583 58.100 -0.063 0.000 1.149 461 Y CB -1.439 36.978 38.460 -0.072 0.000 0.976 461 Y HN 0.180 nan 8.280 nan 0.000 0.505 462 E N 0.543 120.830 120.200 0.145 0.000 2.077 462 E HA -0.188 4.193 4.350 0.051 0.000 0.193 462 E C 2.111 178.808 176.600 0.162 0.000 0.989 462 E CA 0.981 57.463 56.400 0.136 0.000 0.800 462 E CB -0.642 29.210 29.700 0.252 0.000 0.746 462 E HN 0.329 nan 8.360 nan 0.000 0.452 463 L N 0.584 121.957 121.223 0.250 0.000 2.012 463 L HA -0.223 4.148 4.340 0.051 0.000 0.210 463 L C 2.035 178.893 176.870 -0.022 0.000 1.073 463 L CA 1.932 56.895 54.840 0.204 0.000 0.748 463 L CB -0.752 41.296 42.059 -0.019 0.000 0.891 463 L HN 0.142 nan 8.230 nan 0.000 0.431 464 Q N 0.020 119.711 119.800 -0.183 0.000 2.096 464 Q HA -0.203 4.167 4.340 0.051 0.000 0.204 464 Q C 2.366 178.312 176.000 -0.090 0.000 0.982 464 Q CA 1.878 57.581 55.803 -0.167 0.000 0.850 464 Q CB -0.545 28.075 28.738 -0.198 0.000 0.901 464 Q HN 0.594 nan 8.270 nan 0.000 0.422 465 R N 0.358 120.805 120.500 -0.087 0.000 2.075 465 R HA -0.014 4.357 4.340 0.051 0.000 0.232 465 R C 2.439 178.719 176.300 -0.033 0.000 1.126 465 R CA 0.951 56.998 56.100 -0.088 0.000 0.963 465 R CB -0.183 30.022 30.300 -0.159 0.000 0.858 465 R HN 0.229 nan 8.270 nan 0.000 0.435 466 R N 0.170 120.662 120.500 -0.014 0.000 2.092 466 R HA -0.022 4.349 4.340 0.051 0.000 0.231 466 R C 2.321 178.635 176.300 0.024 0.000 1.119 466 R CA 0.913 57.001 56.100 -0.020 0.000 0.970 466 R CB -0.117 30.152 30.300 -0.052 0.000 0.864 466 R HN 0.126 nan 8.270 nan 0.000 0.440 467 R N 0.420 120.936 120.500 0.027 0.000 2.075 467 R HA -0.052 4.319 4.340 0.051 0.000 0.232 467 R C 2.176 178.476 176.300 -0.000 0.000 1.126 467 R CA 0.870 56.990 56.100 0.034 0.000 0.963 467 R CB -0.572 29.746 30.300 0.030 0.000 0.858 467 R HN 0.141 nan 8.270 nan 0.000 0.435 468 L N 1.524 122.719 121.223 -0.046 0.000 2.056 468 L HA -0.090 4.281 4.340 0.051 0.000 0.207 468 L C 2.139 178.930 176.870 -0.132 0.000 1.078 468 L CA 1.678 56.450 54.840 -0.114 0.000 0.749 468 L CB -0.744 41.193 42.059 -0.203 0.000 0.901 468 L HN 0.090 nan 8.230 nan 0.000 0.433 469 K N -0.754 119.582 120.400 -0.107 0.000 2.147 469 K HA -0.110 4.241 4.320 0.051 0.000 0.205 469 K C 2.002 178.563 176.600 -0.065 0.000 1.049 469 K CA 1.213 57.433 56.287 -0.112 0.000 0.936 469 K CB -0.223 32.212 32.500 -0.109 0.000 0.722 469 K HN 0.295 nan 8.250 nan 0.000 0.446 470 A N 1.754 124.563 122.820 -0.017 0.000 2.070 470 A HA -0.118 4.233 4.320 0.051 0.000 0.220 470 A C 1.965 179.548 177.584 -0.001 0.000 1.159 470 A CA 1.211 53.257 52.037 0.016 0.000 0.656 470 A CB -0.681 18.348 19.000 0.049 0.000 0.800 470 A HN 0.503 nan 8.150 nan 0.000 0.453 471 I N -5.813 114.747 120.570 -0.016 0.000 3.956 471 I HA 0.536 4.737 4.170 0.051 0.000 0.333 471 I C 1.060 177.159 176.117 -0.029 0.000 1.302 471 I CA 0.626 61.922 61.300 -0.007 0.000 1.122 471 I CB 0.279 38.290 38.000 0.018 0.000 1.013 471 I HN 0.273 nan 8.210 nan 0.000 0.405 472 G N 1.633 110.397 108.800 -0.061 0.000 2.192 472 G HA2 -0.203 3.788 3.960 0.051 0.000 0.193 472 G HA3 -0.203 3.788 3.960 0.051 0.000 0.193 472 G C -0.180 174.645 174.900 -0.126 0.000 0.999 472 G CA -0.133 44.923 45.100 -0.073 0.000 0.659 472 G HN 0.277 nan 8.290 nan 0.000 0.503 473 L N 3.018 124.128 121.223 -0.188 0.000 2.534 473 L HA 0.470 4.841 4.340 0.051 0.000 0.271 473 L C -1.689 175.030 176.870 -0.253 0.000 1.178 473 L CA -1.644 53.030 54.840 -0.276 0.000 0.907 473 L CB 0.314 42.118 42.059 -0.425 0.000 1.164 473 L HN -0.025 nan 8.230 nan 0.000 0.482 474 P HA 0.152 nan 4.420 nan 0.000 0.252 474 P C -0.938 176.154 177.300 -0.347 0.000 1.727 474 P CA 0.095 63.021 63.100 -0.289 0.000 1.134 474 P CB -0.155 31.534 31.700 -0.019 0.000 1.876 475 L N 3.798 124.778 121.223 -0.405 0.000 2.259 475 L HA 0.398 4.769 4.340 0.051 0.000 0.288 475 L C -0.082 176.599 176.870 -0.314 0.000 1.051 475 L CA -0.597 54.126 54.840 -0.195 0.000 0.824 475 L CB 0.095 42.152 42.059 -0.004 0.000 1.206 475 L HN 0.143 nan 8.230 nan 0.000 0.429 476 F N 4.252 124.242 119.950 0.066 0.000 2.388 476 F HA 0.488 5.045 4.527 0.049 0.000 0.358 476 F C -0.051 175.792 175.800 0.071 0.000 1.122 476 F CA -0.704 57.286 58.000 -0.017 0.000 1.056 476 F CB 0.847 39.835 39.000 -0.019 0.000 1.155 476 F HN 0.280 nan 8.300 nan 0.000 0.461 477 Y N -0.236 120.107 120.300 0.071 0.000 2.552 477 Y HA 0.582 5.161 4.550 0.048 0.000 0.337 477 Y C -0.492 175.408 175.900 -0.001 0.000 1.094 477 Y CA -1.648 56.454 58.100 0.003 0.000 1.028 477 Y CB 0.774 39.206 38.460 -0.046 0.000 1.321 477 Y HN 0.369 nan 8.280 nan 0.000 0.456 478 S N 0.746 116.520 115.700 0.124 0.000 2.572 478 S HA 0.173 4.674 4.470 0.051 0.000 0.279 478 S C 1.050 175.715 174.600 0.108 0.000 1.341 478 S CA 0.202 58.440 58.200 0.063 0.000 1.043 478 S CB 0.351 63.586 63.200 0.059 0.000 0.887 478 S HN 1.037 nan 8.310 nan 0.000 0.516 479 S N 3.024 118.749 115.700 0.040 0.000 2.548 479 S HA 0.151 4.652 4.470 0.051 0.000 0.215 479 S C 0.444 175.085 174.600 0.069 0.000 0.976 479 S CA -0.315 57.921 58.200 0.060 0.000 0.908 479 S CB -0.063 63.138 63.200 0.003 0.000 0.781 479 S HN 0.737 nan 8.310 nan 0.000 0.519 480 Q N 3.185 123.022 119.800 0.063 0.000 2.361 480 Q HA 0.281 4.652 4.340 0.051 0.000 0.276 480 Q C -2.365 173.680 176.000 0.074 0.000 1.022 480 Q CA -1.473 54.367 55.803 0.062 0.000 0.898 480 Q CB -0.025 28.746 28.738 0.055 0.000 1.246 480 Q HN 0.316 nan 8.270 nan 0.000 0.410 481 P HA 0.062 nan 4.420 nan 0.000 0.272 481 P C -0.490 176.850 177.300 0.067 0.000 1.223 481 P CA 0.080 63.224 63.100 0.073 0.000 0.784 481 P CB 0.746 32.493 31.700 0.078 0.000 0.923 482 E N -0.321 119.914 120.200 0.058 0.000 2.511 482 E HA 0.244 4.625 4.350 0.051 0.000 0.209 482 E C -0.002 176.628 176.600 0.049 0.000 0.986 482 E CA -0.127 56.316 56.400 0.072 0.000 0.974 482 E CB 1.051 30.822 29.700 0.118 0.000 1.030 482 E HN 0.140 nan 8.360 nan 0.000 0.490 483 V N 0.950 120.873 119.914 0.015 0.000 3.048 483 V HA 0.344 4.495 4.120 0.051 0.000 0.303 483 V C -1.504 174.594 176.094 0.006 0.000 1.214 483 V CA -0.587 61.719 62.300 0.011 0.000 0.984 483 V CB 2.305 34.101 31.823 -0.045 0.000 1.054 483 V HN 0.188 nan 8.190 nan 0.000 0.430 484 T N 2.903 117.459 114.554 0.003 0.000 2.807 484 T HA 0.812 5.193 4.350 0.051 0.000 0.279 484 T C -0.361 174.282 174.700 -0.096 0.000 0.993 484 T CA -0.138 61.929 62.100 -0.054 0.000 0.970 484 T CB 1.347 70.196 68.868 -0.031 0.000 0.950 484 T HN 1.565 nan 8.240 nan 0.000 0.441 485 V N -0.311 119.443 119.914 -0.266 0.000 3.166 485 V HA 0.923 5.074 4.120 0.051 0.000 0.317 485 V C 0.682 176.567 176.094 -0.347 0.000 1.136 485 V CA -0.886 61.248 62.300 -0.275 0.000 1.035 485 V CB 0.541 32.193 31.823 -0.286 0.000 1.110 485 V HN 2.222 nan 8.190 nan 0.000 0.450 486 A N 1.192 123.885 122.820 -0.210 0.000 2.519 486 A HA -0.137 4.214 4.320 0.051 0.000 0.297 486 A C 0.756 178.298 177.584 -0.070 0.000 1.472 486 A CA 1.059 53.026 52.037 -0.118 0.000 0.739 486 A CB -2.104 16.838 19.000 -0.096 0.000 1.096 486 A HN 1.538 nan 8.150 nan 0.000 0.414 487 K N -0.510 119.862 120.400 -0.047 0.000 3.096 487 K HA -0.233 4.118 4.320 0.051 0.000 0.266 487 K C 0.059 176.648 176.600 -0.019 0.000 1.043 487 K CA 1.296 57.572 56.287 -0.018 0.000 0.758 487 K CB -1.646 30.856 32.500 0.003 0.000 1.260 487 K HN 1.301 nan 8.250 nan 0.000 0.481 488 D N -3.119 117.254 120.400 -0.046 0.000 2.981 488 D HA -0.227 4.444 4.640 0.051 0.000 0.223 488 D C 0.983 177.278 176.300 -0.009 0.000 1.151 488 D CA 1.267 55.249 54.000 -0.030 0.000 0.827 488 D CB -1.142 39.658 40.800 0.001 0.000 1.101 488 D HN 0.579 nan 8.370 nan 0.000 0.426 489 A N -0.658 122.144 122.820 -0.029 0.000 1.898 489 A HA 0.338 4.689 4.320 0.051 0.000 0.214 489 A C 0.797 178.517 177.584 0.226 0.000 1.183 489 A CA 1.516 53.612 52.037 0.099 0.000 0.622 489 A CB -0.001 19.104 19.000 0.175 0.000 0.824 489 A HN 0.485 nan 8.150 nan 0.000 0.444 490 F N -4.532 115.439 119.950 0.035 0.000 2.741 490 F HA 0.698 5.277 4.527 0.087 0.000 0.313 490 F C -0.199 175.629 175.800 0.046 0.000 1.153 490 F CA -0.894 57.127 58.000 0.034 0.000 0.931 490 F CB 0.637 39.651 39.000 0.025 0.000 1.335 490 F HN 0.156 nan 8.300 nan 0.000 0.460 491 G N 0.108 109.038 108.800 0.215 0.000 2.511 491 G HA2 0.755 4.746 3.960 0.051 0.000 0.318 491 G HA3 0.755 4.746 3.960 0.051 0.000 0.318 491 G C -1.496 173.527 174.900 0.205 0.000 1.210 491 G CA -0.643 44.525 45.100 0.113 0.000 0.969 491 G HN 1.544 nan 8.290 nan 0.000 0.484 492 V N -1.686 118.302 119.914 0.123 0.000 3.130 492 V HA 0.942 5.093 4.120 0.051 0.000 0.310 492 V C -0.527 175.590 176.094 0.040 0.000 1.158 492 V CA -1.366 61.004 62.300 0.116 0.000 1.029 492 V CB 1.835 33.747 31.823 0.149 0.000 1.057 492 V HN 1.209 nan 8.190 nan 0.000 0.436 493 R N 1.447 121.975 120.500 0.047 0.000 2.854 493 R HA 0.813 5.183 4.340 0.051 0.000 0.271 493 R C -0.856 175.443 176.300 -0.001 0.000 0.996 493 R CA -0.879 55.238 56.100 0.028 0.000 0.961 493 R CB 2.096 32.439 30.300 0.072 0.000 1.182 493 R HN 0.690 nan 8.270 nan 0.000 0.479 494 L N -0.151 121.031 121.223 -0.068 0.000 2.694 494 L HA 0.388 4.759 4.340 0.051 0.000 0.228 494 L C -0.140 176.487 176.870 -0.406 0.000 1.048 494 L CA -0.245 54.488 54.840 -0.178 0.000 0.887 494 L CB 0.264 42.057 42.059 -0.443 0.000 1.265 494 L HN 0.440 nan 8.230 nan 0.000 0.492 495 F N 1.865 121.715 119.950 -0.167 0.000 2.370 495 F HA 0.366 4.913 4.527 0.033 0.000 0.324 495 F C -1.918 173.680 175.800 -0.336 0.000 1.116 495 F CA -2.501 55.352 58.000 -0.245 0.000 1.123 495 F CB 0.019 38.919 39.000 -0.167 0.000 1.238 495 F HN -0.249 nan 8.300 nan 0.000 0.536 496 P HA 0.181 nan 4.420 nan 0.000 0.275 496 P C -0.576 176.559 177.300 -0.275 0.000 1.227 496 P CA 0.094 63.130 63.100 -0.107 0.000 0.781 496 P CB 0.954 32.552 31.700 -0.171 0.000 0.906 497 I N 4.075 124.465 120.570 -0.299 0.000 2.304 497 I HA 0.327 4.528 4.170 0.051 0.000 0.291 497 I C 0.390 176.326 176.117 -0.301 0.000 1.018 497 I CA -0.377 60.594 61.300 -0.547 0.000 1.260 497 I CB 0.363 37.890 38.000 -0.788 0.000 1.390 497 I HN 0.123 nan 8.210 nan 0.000 0.475 498 I N 7.456 127.911 120.570 -0.192 0.000 2.468 498 I HA 0.356 4.557 4.170 0.051 0.000 0.284 498 I C -0.891 175.243 176.117 0.028 0.000 1.038 498 I CA -0.624 60.629 61.300 -0.079 0.000 1.083 498 I CB 1.894 39.846 38.000 -0.079 0.000 1.223 498 I HN 0.153 nan 8.210 nan 0.000 0.443 499 V N 7.277 127.232 119.914 0.068 0.000 2.443 499 V HA 0.480 4.631 4.120 0.051 0.000 0.293 499 V C -0.226 175.944 176.094 0.127 0.000 1.021 499 V CA -0.470 61.930 62.300 0.166 0.000 0.848 499 V CB 2.003 33.968 31.823 0.236 0.000 0.998 499 V HN 0.473 nan 8.190 nan 0.000 0.424 500 L N 4.586 125.892 121.223 0.138 0.000 2.322 500 L HA 0.622 4.993 4.340 0.051 0.000 0.281 500 L C 0.047 176.987 176.870 0.116 0.000 1.014 500 L CA -0.779 54.123 54.840 0.103 0.000 0.815 500 L CB 1.720 43.836 42.059 0.095 0.000 1.247 500 L HN 0.709 nan 8.230 nan 0.000 0.421 501 D N -0.006 120.444 120.400 0.084 0.000 2.414 501 D HA 0.034 4.705 4.640 0.051 0.000 0.251 501 D C 1.151 177.492 176.300 0.068 0.000 1.252 501 D CA -0.082 53.967 54.000 0.081 0.000 0.999 501 D CB 0.673 41.507 40.800 0.056 0.000 1.093 501 D HN 0.663 nan 8.370 nan 0.000 0.515 502 T N -2.571 112.017 114.554 0.057 0.000 2.995 502 T HA -0.075 4.306 4.350 0.051 0.000 0.269 502 T C 1.845 176.560 174.700 0.026 0.000 1.091 502 T CA 0.951 63.082 62.100 0.052 0.000 1.128 502 T CB -0.621 68.269 68.868 0.036 0.000 0.891 502 T HN 0.236 nan 8.240 nan 0.000 0.492 503 V N 0.711 120.634 119.914 0.015 0.000 2.453 503 V HA -0.100 4.051 4.120 0.051 0.000 0.247 503 V C 3.034 179.129 176.094 0.001 0.000 1.048 503 V CA 1.239 63.541 62.300 0.003 0.000 1.049 503 V CB -0.898 30.926 31.823 0.001 0.000 0.672 503 V HN 0.779 nan 8.190 nan 0.000 0.457 504 C N 0.673 119.975 119.300 0.004 0.000 2.489 504 C HA 0.095 4.586 4.460 0.051 0.000 0.279 504 C C 2.723 177.708 174.990 -0.009 0.000 1.266 504 C CA 1.003 60.012 59.018 -0.015 0.000 1.707 504 C CB -0.883 26.845 27.740 -0.019 0.000 2.059 504 C HN 0.523 nan 8.230 nan 0.000 0.481 505 A N -0.931 121.905 122.820 0.027 0.000 2.308 505 A HA 0.407 4.758 4.320 0.051 0.000 0.217 505 A C 1.253 178.874 177.584 0.062 0.000 1.216 505 A CA 1.485 53.552 52.037 0.050 0.000 0.864 505 A CB -0.438 18.612 19.000 0.084 0.000 0.902 505 A HN 1.005 nan 8.150 nan 0.000 0.499 506 S N -0.493 115.235 115.700 0.046 0.000 4.054 506 S HA -0.343 4.158 4.470 0.051 0.000 0.618 506 S C 1.801 176.451 174.600 0.082 0.000 2.026 506 S CA 3.098 61.321 58.200 0.038 0.000 4.205 506 S CB -1.662 61.552 63.200 0.023 0.000 0.233 506 S HN 1.853 nan 8.310 nan 0.000 0.612 507 S N 1.235 116.988 115.700 0.087 0.000 2.522 507 S HA 0.351 4.852 4.470 0.051 0.000 0.227 507 S C 1.939 176.729 174.600 0.317 0.000 0.986 507 S CA 1.296 59.603 58.200 0.179 0.000 0.929 507 S CB -0.215 63.056 63.200 0.118 0.000 0.769 507 S HN 2.497 nan 8.310 nan 0.000 0.529 508 G N 1.226 110.143 108.800 0.195 0.000 2.176 508 G HA2 -0.297 3.694 3.960 0.051 0.000 0.253 508 G HA3 -0.297 3.694 3.960 0.051 0.000 0.253 508 G C 0.256 175.236 174.900 0.133 0.000 0.979 508 G CA 0.373 45.569 45.100 0.160 0.000 0.641 508 G HN 1.486 nan 8.290 nan 0.000 0.530 509 S N -0.263 115.518 115.700 0.134 0.000 2.576 509 S HA 0.520 5.021 4.470 0.051 0.000 0.272 509 S C 1.800 176.452 174.600 0.086 0.000 1.352 509 S CA 0.060 58.325 58.200 0.108 0.000 1.021 509 S CB 0.980 64.239 63.200 0.097 0.000 0.887 509 S HN 0.531 nan 8.310 nan 0.000 0.542 510 L N 0.503 121.771 121.223 0.075 0.000 2.042 510 L HA -0.145 4.226 4.340 0.051 0.000 0.210 510 L C 2.248 179.154 176.870 0.061 0.000 1.076 510 L CA 1.659 56.538 54.840 0.064 0.000 0.749 510 L CB -0.821 41.270 42.059 0.053 0.000 0.893 510 L HN 0.657 nan 8.230 nan 0.000 0.432 511 D N -0.023 120.410 120.400 0.054 0.000 2.117 511 D HA -0.177 4.494 4.640 0.051 0.000 0.197 511 D C 1.853 178.181 176.300 0.048 0.000 0.987 511 D CA 1.164 55.192 54.000 0.046 0.000 0.829 511 D CB -0.199 40.623 40.800 0.037 0.000 0.961 511 D HN 0.257 nan 8.370 nan 0.000 0.460 512 D N -0.103 120.330 120.400 0.055 0.000 2.144 512 D HA -0.071 4.600 4.640 0.051 0.000 0.199 512 D C 2.301 178.635 176.300 0.058 0.000 0.984 512 D CA 0.349 54.379 54.000 0.051 0.000 0.834 512 D CB -0.187 40.650 40.800 0.061 0.000 0.955 512 D HN 0.238 nan 8.370 nan 0.000 0.465 513 L N 0.500 121.774 121.223 0.085 0.000 2.056 513 L HA -0.101 4.270 4.340 0.051 0.000 0.207 513 L C 2.467 179.432 176.870 0.158 0.000 1.078 513 L CA 1.004 55.924 54.840 0.132 0.000 0.749 513 L CB -0.460 41.684 42.059 0.141 0.000 0.901 513 L HN -0.028 nan 8.230 nan 0.000 0.433 514 A N 0.098 122.984 122.820 0.111 0.000 2.070 514 A HA -0.204 4.147 4.320 0.051 0.000 0.220 514 A C 2.331 179.953 177.584 0.064 0.000 1.159 514 A CA 1.380 53.479 52.037 0.102 0.000 0.656 514 A CB -0.433 18.606 19.000 0.065 0.000 0.800 514 A HN 0.299 nan 8.150 nan 0.000 0.453 515 R N -0.882 119.635 120.500 0.029 0.000 2.115 515 R HA -0.033 4.338 4.340 0.051 0.000 0.230 515 R C 1.871 178.127 176.300 -0.075 0.000 1.111 515 R CA 1.343 57.435 56.100 -0.013 0.000 0.976 515 R CB -0.303 29.989 30.300 -0.013 0.000 0.870 515 R HN 0.398 nan 8.270 nan 0.000 0.445 516 V N -0.438 119.402 119.914 -0.124 0.000 2.453 516 V HA -0.078 4.072 4.120 0.051 0.000 0.247 516 V C 0.440 176.171 176.094 -0.605 0.000 1.048 516 V CA 1.241 63.310 62.300 -0.383 0.000 1.049 516 V CB -0.199 31.328 31.823 -0.494 0.000 0.672 516 V HN 0.107 nan 8.190 nan 0.000 0.457 517 F N 0.276 120.208 119.950 -0.030 0.000 2.371 517 F HA 0.403 4.961 4.527 0.052 0.000 0.343 517 F C -1.780 174.001 175.800 -0.032 0.000 1.150 517 F CA -1.995 55.981 58.000 -0.040 0.000 1.220 517 F CB 0.851 39.821 39.000 -0.049 0.000 1.475 517 F HN 0.061 nan 8.300 nan 0.000 0.521 518 P HA -0.065 nan 4.420 nan 0.000 0.219 518 P C 0.538 177.867 177.300 0.049 0.000 1.150 518 P CA 1.240 64.366 63.100 0.044 0.000 0.814 518 P CB 0.170 31.876 31.700 0.010 0.000 0.787 519 T N -5.380 109.208 114.554 0.057 0.000 3.410 519 T HA 0.375 4.756 4.350 0.051 0.000 0.328 519 T C -2.464 172.256 174.700 0.034 0.000 1.567 519 T CA -2.147 59.976 62.100 0.039 0.000 1.626 519 T CB 1.021 69.905 68.868 0.027 0.000 0.939 519 T HN -0.122 nan 8.240 nan 0.000 0.656 520 P HA -0.167 nan 4.420 nan 0.000 0.218 520 P C 1.713 178.950 177.300 -0.104 0.000 1.148 520 P CA 1.042 64.126 63.100 -0.027 0.000 0.822 520 P CB 0.178 31.847 31.700 -0.052 0.000 0.784 521 E N 0.925 121.087 120.200 -0.063 0.000 2.472 521 E HA -0.158 4.223 4.350 0.051 0.000 0.200 521 E C 0.849 177.376 176.600 -0.122 0.000 1.046 521 E CA 1.027 57.392 56.400 -0.059 0.000 0.871 521 E CB -0.559 29.152 29.700 0.019 0.000 0.806 521 E HN 0.312 nan 8.360 nan 0.000 0.533 522 K N 0.714 121.028 120.400 -0.143 0.000 2.372 522 K HA 0.230 4.581 4.320 0.051 0.000 0.200 522 K C -0.271 176.135 176.600 -0.322 0.000 1.022 522 K CA -0.080 56.131 56.287 -0.126 0.000 1.125 522 K CB 1.411 33.915 32.500 0.007 0.000 0.855 522 K HN -0.086 nan 8.250 nan 0.000 0.524 523 V N 2.840 122.462 119.914 -0.486 0.000 2.357 523 V HA 0.173 4.323 4.120 0.051 0.000 0.284 523 V C -0.572 175.198 176.094 -0.539 0.000 1.018 523 V CA -0.812 61.277 62.300 -0.352 0.000 0.841 523 V CB 1.002 32.759 31.823 -0.111 0.000 0.991 523 V HN 0.259 nan 8.190 nan 0.000 0.437 524 H N 5.768 124.828 119.070 -0.016 0.000 2.786 524 H HA 0.469 5.056 4.556 0.051 0.000 0.284 524 H C -0.576 174.684 175.328 -0.112 0.000 1.104 524 H CA -0.364 55.663 56.048 -0.035 0.000 1.339 524 H CB 1.504 31.267 29.762 0.003 0.000 1.427 524 H HN 0.488 nan 8.280 nan 0.000 0.497 525 I N 2.714 123.253 120.570 -0.052 0.000 2.306 525 I HA 0.005 4.206 4.170 0.051 0.000 0.288 525 I C 0.598 176.627 176.117 -0.147 0.000 1.036 525 I CA -0.551 60.675 61.300 -0.124 0.000 1.221 525 I CB 0.834 38.761 38.000 -0.122 0.000 1.385 525 I HN 0.437 nan 8.210 nan 0.000 0.472 526 D N 4.761 124.975 120.400 -0.310 0.000 2.449 526 D HA -0.077 4.594 4.640 0.051 0.000 0.236 526 D C 1.478 177.714 176.300 -0.106 0.000 1.149 526 D CA 0.062 53.895 54.000 -0.279 0.000 0.878 526 D CB 0.980 41.442 40.800 -0.563 0.000 1.198 526 D HN 0.623 nan 8.370 nan 0.000 0.446 527 Q N 1.679 121.455 119.800 -0.040 0.000 2.297 527 Q HA -0.247 4.123 4.340 0.051 0.000 0.208 527 Q C 0.583 176.455 176.000 -0.214 0.000 0.981 527 Q CA 1.559 57.307 55.803 -0.092 0.000 0.876 527 Q CB -0.291 28.397 28.738 -0.083 0.000 0.921 527 Q HN 0.663 nan 8.270 nan 0.000 0.446 528 H N -0.191 118.843 119.070 -0.060 0.000 2.551 528 H HA 0.313 4.895 4.556 0.043 0.000 0.271 528 H C 0.036 175.218 175.328 -0.244 0.000 0.984 528 H CA -0.022 55.903 56.048 -0.206 0.000 1.164 528 H CB 0.771 30.415 29.762 -0.197 0.000 1.437 528 H HN 0.113 nan 8.280 nan 0.000 0.550 529 S N 0.106 115.783 115.700 -0.038 0.000 2.645 529 S HA 0.325 4.825 4.470 0.051 0.000 0.266 529 S C 0.317 174.882 174.600 -0.057 0.000 1.258 529 S CA -0.449 57.705 58.200 -0.077 0.000 0.990 529 S CB 1.296 64.426 63.200 -0.117 0.000 0.967 529 S HN 0.182 nan 8.310 nan 0.000 0.556 530 T N 2.162 116.591 114.554 -0.208 0.000 2.840 530 T HA 0.487 4.868 4.350 0.051 0.000 0.287 530 T C -1.317 173.184 174.700 -0.332 0.000 0.991 530 T CA -0.395 61.479 62.100 -0.378 0.000 0.964 530 T CB 0.893 69.199 68.868 -0.936 0.000 0.954 530 T HN 0.332 nan 8.240 nan 0.000 0.438 531 L N 5.692 126.772 121.223 -0.239 0.000 2.342 531 L HA 0.611 4.981 4.340 0.051 0.000 0.276 531 L C -1.385 175.423 176.870 -0.103 0.000 0.997 531 L CA -0.658 54.096 54.840 -0.142 0.000 0.838 531 L CB 0.666 42.687 42.059 -0.065 0.000 1.224 531 L HN 0.497 nan 8.230 nan 0.000 0.416 532 I N 6.356 126.873 120.570 -0.089 0.000 2.339 532 I HA 0.450 4.651 4.170 0.051 0.000 0.290 532 I C -0.426 175.692 176.117 0.001 0.000 0.994 532 I CA -0.594 60.692 61.300 -0.023 0.000 1.191 532 I CB 1.651 39.651 38.000 0.000 0.000 1.343 532 I HN 0.245 nan 8.210 nan 0.000 0.458 533 V N 6.577 126.503 119.914 0.019 0.000 2.444 533 V HA 0.454 4.605 4.120 0.051 0.000 0.294 533 V C -0.219 175.887 176.094 0.019 0.000 1.022 533 V CA -0.707 61.595 62.300 0.004 0.000 0.850 533 V CB 2.015 33.825 31.823 -0.022 0.000 0.992 533 V HN 0.680 nan 8.190 nan 0.000 0.426 534 E N 2.778 122.989 120.200 0.018 0.000 2.234 534 E HA 0.715 5.096 4.350 0.051 0.000 0.266 534 E C 0.321 176.933 176.600 0.020 0.000 0.877 534 E CA -0.127 56.288 56.400 0.026 0.000 0.758 534 E CB 2.315 32.036 29.700 0.034 0.000 1.170 534 E HN 1.123 nan 8.360 nan 0.000 0.415 535 G N 1.896 110.705 108.800 0.015 0.000 2.681 535 G HA2 -0.257 3.734 3.960 0.051 0.000 0.220 535 G HA3 -0.257 3.734 3.960 0.051 0.000 0.220 535 G C -0.594 174.307 174.900 0.001 0.000 1.353 535 G CA -0.783 44.324 45.100 0.012 0.000 0.872 535 G HN 0.442 nan 8.290 nan 0.000 0.557 536 R N -0.185 120.319 120.500 0.006 0.000 2.441 536 R HA 0.531 4.902 4.340 0.051 0.000 0.300 536 R C -0.096 176.201 176.300 -0.005 0.000 1.284 536 R CA 0.182 56.280 56.100 -0.004 0.000 1.069 536 R CB -0.309 29.993 30.300 0.004 0.000 1.087 536 R HN 0.731 nan 8.270 nan 0.000 0.519 537 V N 5.836 125.718 119.914 -0.053 0.000 2.735 537 V HA 0.506 4.657 4.120 0.051 0.000 0.310 537 V C -0.082 175.909 176.094 -0.171 0.000 1.061 537 V CA -0.835 61.400 62.300 -0.109 0.000 0.913 537 V CB 2.291 34.027 31.823 -0.145 0.000 1.005 537 V HN 0.501 nan 8.190 nan 0.000 0.428 538 I N 5.006 125.464 120.570 -0.187 0.000 2.418 538 I HA 0.495 4.696 4.170 0.051 0.000 0.287 538 I C -0.813 175.156 176.117 -0.247 0.000 1.008 538 I CA -0.347 60.823 61.300 -0.216 0.000 1.104 538 I CB 1.929 39.852 38.000 -0.127 0.000 1.264 538 I HN 0.432 nan 8.210 nan 0.000 0.438 539 I N 6.345 126.709 120.570 -0.342 0.000 2.330 539 I HA 0.236 4.436 4.170 0.051 0.000 0.286 539 I C 0.947 177.004 176.117 -0.099 0.000 1.025 539 I CA -0.085 61.074 61.300 -0.235 0.000 1.197 539 I CB 1.066 38.914 38.000 -0.254 0.000 1.358 539 I HN 0.673 nan 8.210 nan 0.000 0.467 540 E N 3.319 123.489 120.200 -0.050 0.000 2.102 540 E HA 0.017 4.398 4.350 0.051 0.000 0.190 540 E C 0.086 176.700 176.600 0.023 0.000 0.971 540 E CA 0.567 56.964 56.400 -0.004 0.000 0.821 540 E CB 0.380 30.075 29.700 -0.008 0.000 0.777 540 E HN 0.689 nan 8.360 nan 0.000 0.460 541 S N 0.254 115.965 115.700 0.019 0.000 2.562 541 S HA 0.589 5.090 4.470 0.051 0.000 0.274 541 S C -1.172 173.450 174.600 0.035 0.000 1.160 541 S CA -1.054 57.163 58.200 0.027 0.000 0.933 541 S CB 1.933 65.156 63.200 0.039 0.000 1.100 541 S HN 0.097 nan 8.310 nan 0.000 0.468 542 L N 0.802 122.051 121.223 0.043 0.000 2.545 542 L HA 0.716 5.087 4.340 0.051 0.000 0.258 542 L C -1.478 175.447 176.870 0.092 0.000 0.942 542 L CA -0.224 54.648 54.840 0.055 0.000 0.855 542 L CB 2.106 44.188 42.059 0.040 0.000 1.374 542 L HN 0.980 nan 8.230 nan 0.000 0.411 543 E N 3.883 124.148 120.200 0.108 0.000 2.182 543 E HA 0.526 4.907 4.350 0.051 0.000 0.258 543 E C -1.984 174.667 176.600 0.085 0.000 0.879 543 E CA -0.740 55.741 56.400 0.135 0.000 0.754 543 E CB 1.580 31.390 29.700 0.184 0.000 1.162 543 E HN 0.623 nan 8.360 nan 0.000 0.419 544 L N 5.699 126.911 121.223 -0.018 0.000 2.343 544 L HA 0.406 4.777 4.340 0.051 0.000 0.278 544 L C -1.993 174.770 176.870 -0.178 0.000 0.996 544 L CA -0.490 54.324 54.840 -0.045 0.000 0.831 544 L CB 0.884 42.905 42.059 -0.062 0.000 1.232 544 L HN 0.533 nan 8.230 nan 0.000 0.413 545 Y N 5.381 125.687 120.300 0.010 0.000 2.837 545 Y HA 0.735 5.315 4.550 0.049 0.000 0.356 545 Y C 0.738 176.627 175.900 -0.018 0.000 1.035 545 Y CA 0.238 58.340 58.100 0.004 0.000 1.165 545 Y CB 1.133 39.596 38.460 0.006 0.000 1.147 545 Y HN 0.838 nan 8.280 nan 0.000 0.628 546 G N 0.523 109.350 108.800 0.045 0.000 2.332 546 G HA2 0.415 4.406 3.960 0.051 0.000 0.265 546 G HA3 0.415 4.406 3.960 0.051 0.000 0.265 546 G C -1.723 173.119 174.900 -0.096 0.000 1.329 546 G CA -0.389 44.709 45.100 -0.003 0.000 0.949 546 G HN 0.530 nan 8.290 nan 0.000 0.476 547 A N -0.692 122.054 122.820 -0.125 0.000 2.317 547 A HA 0.884 5.234 4.320 0.051 0.000 0.327 547 A C -0.886 176.610 177.584 -0.146 0.000 1.178 547 A CA -0.381 51.490 52.037 -0.277 0.000 0.817 547 A CB 1.538 20.246 19.000 -0.487 0.000 1.189 547 A HN 2.095 nan 8.150 nan 0.000 0.489 548 L N 1.622 122.746 121.223 -0.165 0.000 2.455 548 L HA 0.728 5.099 4.340 0.051 0.000 0.264 548 L C -0.660 176.168 176.870 -0.070 0.000 0.968 548 L CA 0.240 55.035 54.840 -0.075 0.000 0.827 548 L CB 2.470 44.498 42.059 -0.051 0.000 1.317 548 L HN 0.581 nan 8.230 nan 0.000 0.407 549 T N 6.074 120.619 114.554 -0.015 0.000 2.792 549 T HA 0.657 5.038 4.350 0.051 0.000 0.280 549 T C -0.355 174.355 174.700 0.017 0.000 0.990 549 T CA -0.090 62.013 62.100 0.005 0.000 0.960 549 T CB 0.784 69.677 68.868 0.042 0.000 0.939 549 T HN 0.440 nan 8.240 nan 0.000 0.439 550 I N 3.720 124.293 120.570 0.005 0.000 2.362 550 I HA 0.459 4.660 4.170 0.051 0.000 0.289 550 I C 0.259 176.398 176.117 0.036 0.000 0.994 550 I CA -0.834 60.471 61.300 0.008 0.000 1.158 550 I CB 1.360 39.315 38.000 -0.076 0.000 1.315 550 I HN 0.311 nan 8.210 nan 0.000 0.451 551 R N 4.394 124.954 120.500 0.099 0.000 2.445 551 R HA 0.721 5.092 4.340 0.051 0.000 0.308 551 R C -0.036 176.365 176.300 0.168 0.000 0.961 551 R CA -0.649 55.509 56.100 0.097 0.000 0.862 551 R CB 2.279 32.622 30.300 0.071 0.000 1.144 551 R HN 0.796 nan 8.270 nan 0.000 0.447 552 G N 2.370 111.235 108.800 0.108 0.000 3.013 552 G HA2 0.534 4.525 3.960 0.051 0.000 0.278 552 G HA3 0.534 4.525 3.960 0.051 0.000 0.278 552 G C -2.712 172.217 174.900 0.048 0.000 1.353 552 G CA -1.648 43.519 45.100 0.111 0.000 1.043 552 G HN 0.236 nan 8.290 nan 0.000 0.523 553 P HA 0.075 nan 4.420 nan 0.000 0.264 553 P C 1.136 178.442 177.300 0.010 0.000 1.183 553 P CA 0.293 63.401 63.100 0.013 0.000 0.763 553 P CB 0.716 32.420 31.700 0.008 0.000 0.807 554 T N -1.798 112.759 114.554 0.005 0.000 3.055 554 T HA -0.059 4.322 4.350 0.051 0.000 0.265 554 T C 0.539 175.238 174.700 -0.002 0.000 1.111 554 T CA 0.348 62.450 62.100 0.003 0.000 1.118 554 T CB -0.482 68.387 68.868 0.001 0.000 0.909 554 T HN 0.308 nan 8.240 nan 0.000 0.501 555 D N 2.105 122.504 120.400 -0.003 0.000 2.317 555 D HA 0.239 4.910 4.640 0.051 0.000 0.252 555 D C 1.391 177.687 176.300 -0.006 0.000 1.174 555 D CA 0.002 53.999 54.000 -0.006 0.000 0.866 555 D CB 1.402 42.199 40.800 -0.006 0.000 1.127 555 D HN 0.219 nan 8.370 nan 0.000 0.467 556 S N 3.178 118.873 115.700 -0.009 0.000 2.500 556 S HA -0.158 4.343 4.470 0.051 0.000 0.239 556 S C 1.475 176.069 174.600 -0.010 0.000 0.989 556 S CA 0.679 58.873 58.200 -0.010 0.000 0.951 556 S CB -0.284 62.907 63.200 -0.015 0.000 0.759 556 S HN 0.653 nan 8.310 nan 0.000 0.523 557 M N 0.830 120.425 119.600 -0.008 0.000 2.333 557 M HA 0.417 4.928 4.480 0.051 0.000 0.257 557 M C 0.874 177.170 176.300 -0.006 0.000 1.078 557 M CA -0.069 55.227 55.300 -0.008 0.000 1.005 557 M CB 0.312 32.907 32.600 -0.008 0.000 1.444 557 M HN 0.374 nan 8.290 nan 0.000 0.496 558 A N 1.246 124.064 122.820 -0.004 0.000 2.272 558 A HA 0.576 4.927 4.320 0.051 0.000 0.275 558 A C 0.008 177.592 177.584 -0.001 0.000 1.096 558 A CA -0.545 51.490 52.037 -0.003 0.000 0.822 558 A CB 0.330 19.328 19.000 -0.002 0.000 1.088 558 A HN 0.345 nan 8.150 nan 0.000 0.495 559 L N 1.434 122.657 121.223 0.000 0.000 2.455 559 L HA 0.198 4.569 4.340 0.051 0.000 0.272 559 L C -1.926 174.952 176.870 0.014 0.000 1.174 559 L CA -1.335 53.508 54.840 0.004 0.000 0.869 559 L CB 0.315 42.376 42.059 0.003 0.000 1.130 559 L HN 0.469 nan 8.230 nan 0.000 0.474 560 P HA 0.036 nan 4.420 nan 0.000 0.275 560 P C -0.771 176.578 177.300 0.083 0.000 1.228 560 P CA -0.204 62.914 63.100 0.031 0.000 0.786 560 P CB 0.350 32.050 31.700 0.002 0.000 0.927 561 H N 1.942 120.993 119.070 -0.031 0.000 2.864 561 H HA 0.277 4.864 4.556 0.052 0.000 0.281 561 H C -0.815 174.490 175.328 -0.038 0.000 1.093 561 H CA -0.693 55.338 56.048 -0.029 0.000 1.453 561 H CB 0.337 30.084 29.762 -0.026 0.000 1.462 561 H HN 0.054 nan 8.280 nan 0.000 0.480 562 V N 6.893 126.900 119.914 0.154 0.000 2.407 562 V HA 0.100 4.251 4.120 0.051 0.000 0.278 562 V C -0.033 176.026 176.094 -0.058 0.000 1.037 562 V CA -0.703 61.590 62.300 -0.012 0.000 0.900 562 V CB 1.379 33.213 31.823 0.018 0.000 0.983 562 V HN 0.513 nan 8.190 nan 0.000 0.459 563 V N 6.983 126.800 119.914 -0.162 0.000 2.370 563 V HA 0.561 4.712 4.120 0.051 0.000 0.283 563 V C 0.097 176.162 176.094 -0.048 0.000 1.023 563 V CA -0.578 61.647 62.300 -0.125 0.000 0.857 563 V CB 1.191 32.901 31.823 -0.188 0.000 0.985 563 V HN 0.900 nan 8.190 nan 0.000 0.443 564 R N 3.247 123.744 120.500 -0.006 0.000 2.686 564 R HA 0.497 4.868 4.340 0.051 0.000 0.283 564 R C 0.086 176.400 176.300 0.024 0.000 0.978 564 R CA -1.005 55.102 56.100 0.011 0.000 0.897 564 R CB 1.264 31.574 30.300 0.016 0.000 1.192 564 R HN 0.778 nan 8.270 nan 0.000 0.457 565 N N -0.294 118.425 118.700 0.033 0.000 2.721 565 N HA -0.248 4.523 4.740 0.051 0.000 0.249 565 N C -0.766 174.770 175.510 0.044 0.000 1.072 565 N CA 0.580 53.655 53.050 0.042 0.000 0.710 565 N CB -0.671 37.838 38.487 0.037 0.000 0.993 565 N HN 0.717 nan 8.380 nan 0.000 0.547 566 A N 0.203 123.048 122.820 0.041 0.000 2.363 566 A HA 0.614 4.965 4.320 0.051 0.000 0.270 566 A C 0.291 177.910 177.584 0.057 0.000 1.121 566 A CA -0.170 51.892 52.037 0.042 0.000 0.800 566 A CB 0.930 19.946 19.000 0.026 0.000 1.052 566 A HN 0.108 nan 8.150 nan 0.000 0.493 567 V N 3.334 123.283 119.914 0.058 0.000 2.525 567 V HA 0.456 4.607 4.120 0.051 0.000 0.299 567 V C -0.714 175.421 176.094 0.068 0.000 1.034 567 V CA -0.435 61.910 62.300 0.074 0.000 0.863 567 V CB 1.583 33.449 31.823 0.072 0.000 0.999 567 V HN 0.659 nan 8.190 nan 0.000 0.423 568 V N 5.898 125.860 119.914 0.080 0.000 2.525 568 V HA 0.607 4.758 4.120 0.051 0.000 0.299 568 V C -0.302 175.851 176.094 0.099 0.000 1.034 568 V CA -0.719 61.622 62.300 0.069 0.000 0.863 568 V CB 2.044 33.894 31.823 0.044 0.000 0.999 568 V HN 0.872 nan 8.190 nan 0.000 0.423 569 R N 4.171 124.720 120.500 0.081 0.000 2.513 569 R HA 0.746 5.117 4.340 0.051 0.000 0.301 569 R C -0.854 175.479 176.300 0.055 0.000 0.968 569 R CA -0.678 55.475 56.100 0.089 0.000 0.872 569 R CB 2.163 32.494 30.300 0.052 0.000 1.177 569 R HN 0.968 nan 8.270 nan 0.000 0.444 570 N N 0.202 118.936 118.700 0.057 0.000 3.179 570 N HA 0.215 4.986 4.740 0.051 0.000 0.250 570 N C -0.191 175.343 175.510 0.041 0.000 1.507 570 N CA -0.628 52.448 53.050 0.043 0.000 0.883 570 N CB 0.448 38.964 38.487 0.048 0.000 1.435 570 N HN 0.307 nan 8.380 nan 0.000 0.532 571 A N -0.516 122.330 122.820 0.044 0.000 2.070 571 A HA 0.391 4.742 4.320 0.051 0.000 0.220 571 A C 1.473 179.092 177.584 0.059 0.000 1.159 571 A CA 1.711 53.771 52.037 0.039 0.000 0.656 571 A CB -1.806 17.222 19.000 0.046 0.000 0.800 571 A HN 1.653 nan 8.150 nan 0.000 0.453 572 G N -1.981 106.874 108.800 0.092 0.000 2.578 572 G HA2 -0.241 3.750 3.960 0.051 0.000 0.275 572 G HA3 -0.241 3.750 3.960 0.051 0.000 0.275 572 G C -0.216 174.896 174.900 0.354 0.000 1.271 572 G CA 0.337 45.504 45.100 0.112 0.000 0.941 572 G HN 0.634 nan 8.290 nan 0.000 0.564 573 W N 0.488 121.789 121.300 0.001 0.000 2.578 573 W HA 0.793 5.480 4.660 0.045 0.000 0.364 573 W C 0.767 177.255 176.519 -0.052 0.000 1.144 573 W CA -0.274 57.112 57.345 0.069 0.000 1.242 573 W CB 1.244 30.866 29.460 0.270 0.000 1.382 573 W HN 1.301 nan 8.180 nan 0.000 0.625 574 S N -0.414 115.477 115.700 0.318 0.000 2.720 574 S HA 0.828 5.329 4.470 0.051 0.000 0.287 574 S C -1.572 173.240 174.600 0.354 0.000 1.168 574 S CA -0.897 57.424 58.200 0.201 0.000 0.832 574 S CB 1.915 65.183 63.200 0.114 0.000 1.166 574 S HN 0.549 nan 8.310 nan 0.000 0.493 575 V N 2.162 122.264 119.914 0.313 0.000 2.925 575 V HA 0.789 4.940 4.120 0.051 0.000 0.311 575 V C -1.693 174.519 176.094 0.196 0.000 1.104 575 V CA -0.348 62.077 62.300 0.207 0.000 0.954 575 V CB 1.801 33.692 31.823 0.113 0.000 1.022 575 V HN 1.324 nan 8.190 nan 0.000 0.427 576 H N 3.916 123.051 119.070 0.108 0.000 3.016 576 H HA 0.799 5.367 4.556 0.019 0.000 0.362 576 H C -0.517 174.886 175.328 0.126 0.000 1.233 576 H CA -0.392 55.709 56.048 0.090 0.000 1.124 576 H CB 1.805 31.606 29.762 0.065 0.000 1.850 576 H HN 0.922 nan 8.280 nan 0.000 0.549 577 A N 2.078 125.012 122.820 0.189 0.000 2.407 577 A HA 0.368 4.719 4.320 0.051 0.000 0.248 577 A C 0.432 178.095 177.584 0.131 0.000 1.082 577 A CA -0.611 51.505 52.037 0.133 0.000 0.785 577 A CB -0.201 18.860 19.000 0.101 0.000 1.020 577 A HN 0.582 nan 8.150 nan 0.000 0.489 578 I N 2.284 122.889 120.570 0.059 0.000 2.517 578 I HA 0.031 4.231 4.170 0.051 0.000 0.285 578 I C 0.129 176.281 176.117 0.058 0.000 1.106 578 I CA 0.223 61.552 61.300 0.049 0.000 1.402 578 I CB 0.303 38.300 38.000 -0.005 0.000 1.399 578 I HN 0.486 nan 8.210 nan 0.000 0.535 579 L N 5.779 127.047 121.223 0.076 0.000 2.439 579 L HA 0.087 4.458 4.340 0.051 0.000 0.269 579 L C 1.614 178.503 176.870 0.031 0.000 1.179 579 L CA 0.032 54.904 54.840 0.054 0.000 0.828 579 L CB 0.911 43.002 42.059 0.054 0.000 1.106 579 L HN 0.687 nan 8.230 nan 0.000 0.467 580 S N 1.986 117.700 115.700 0.023 0.000 2.400 580 S HA -0.180 4.321 4.470 0.051 0.000 0.232 580 S C 1.678 176.287 174.600 0.016 0.000 1.025 580 S CA 1.506 59.716 58.200 0.016 0.000 0.993 580 S CB -0.389 62.819 63.200 0.014 0.000 0.808 580 S HN 0.652 nan 8.310 nan 0.000 0.478 581 L N 0.609 121.843 121.223 0.018 0.000 2.351 581 L HA 0.010 4.380 4.340 0.051 0.000 0.220 581 L C 0.802 177.681 176.870 0.015 0.000 1.127 581 L CA -0.021 54.828 54.840 0.015 0.000 0.786 581 L CB -1.903 40.165 42.059 0.016 0.000 0.914 581 L HN 0.106 nan 8.230 nan 0.000 0.443 582 C N 2.296 121.605 119.300 0.016 0.000 2.409 582 C HA 0.456 4.947 4.460 0.051 0.000 0.398 582 C C 1.012 176.009 174.990 0.011 0.000 1.507 582 C CA 0.371 59.398 59.018 0.015 0.000 1.460 582 C CB -2.437 25.311 27.740 0.014 0.000 2.472 582 C HN 0.824 nan 8.230 nan 0.000 0.614 583 A N 3.177 126.003 122.820 0.010 0.000 2.522 583 A HA 0.801 5.152 4.320 0.051 0.000 0.294 583 A C -0.440 177.149 177.584 0.008 0.000 1.001 583 A CA 0.189 52.231 52.037 0.008 0.000 0.642 583 A CB 0.234 19.239 19.000 0.007 0.000 1.326 583 A HN 2.445 nan 8.150 nan 0.000 0.435 584 G N 0.414 109.218 108.800 0.006 0.000 2.627 584 G HA2 0.431 4.422 3.960 0.051 0.000 0.680 584 G HA3 0.431 4.422 3.960 0.051 0.000 0.680 584 G C -0.712 174.191 174.900 0.005 0.000 1.341 584 G CA -0.416 44.687 45.100 0.006 0.000 0.835 584 G HN 1.040 nan 8.290 nan 0.000 0.643 585 R N 0.975 121.477 120.500 0.004 0.000 2.738 585 R HA 0.514 4.885 4.340 0.051 0.000 0.275 585 R C 0.695 176.997 176.300 0.004 0.000 1.121 585 R CA 0.140 56.242 56.100 0.003 0.000 1.207 585 R CB 0.225 30.526 30.300 0.002 0.000 1.141 585 R HN 0.802 nan 8.270 nan 0.000 0.571 586 D N -0.142 120.260 120.400 0.003 0.000 2.837 586 D HA -0.165 4.506 4.640 0.051 0.000 0.230 586 D C -0.982 175.320 176.300 0.004 0.000 1.152 586 D CA 1.067 55.069 54.000 0.003 0.000 0.736 586 D CB -0.790 40.012 40.800 0.003 0.000 1.084 586 D HN 0.455 nan 8.370 nan 0.000 0.429 587 S N -0.694 115.008 115.700 0.004 0.000 2.525 587 S HA 0.660 5.161 4.470 0.051 0.000 0.290 587 S C 0.598 175.199 174.600 0.002 0.000 1.152 587 S CA -0.555 57.648 58.200 0.005 0.000 1.072 587 S CB 1.799 65.002 63.200 0.006 0.000 1.027 587 S HN 0.251 nan 8.310 nan 0.000 0.500 588 R N 3.070 123.571 120.500 0.002 0.000 2.508 588 R HA 0.438 4.809 4.340 0.051 0.000 0.300 588 R C -0.517 175.778 176.300 -0.008 0.000 0.970 588 R CA -0.055 56.043 56.100 -0.003 0.000 1.102 588 R CB -0.205 30.093 30.300 -0.005 0.000 1.246 588 R HN 0.660 nan 8.270 nan 0.000 0.539 589 L N 1.893 123.113 121.223 -0.006 0.000 2.410 589 L HA 0.220 4.591 4.340 0.051 0.000 0.273 589 L C 0.371 177.234 176.870 -0.011 0.000 1.144 589 L CA -0.134 54.698 54.840 -0.014 0.000 0.863 589 L CB 0.991 43.044 42.059 -0.011 0.000 1.140 589 L HN 0.249 nan 8.230 nan 0.000 0.463 590 S N 1.157 116.849 115.700 -0.014 0.000 2.747 590 S HA 0.319 4.820 4.470 0.051 0.000 0.300 590 S C 0.711 175.317 174.600 0.011 0.000 1.121 590 S CA -0.937 57.265 58.200 0.003 0.000 0.995 590 S CB 1.606 64.813 63.200 0.012 0.000 1.113 590 S HN 0.636 nan 8.310 nan 0.000 0.547 591 E N 0.021 120.250 120.200 0.049 0.000 2.118 591 E HA -0.127 4.254 4.350 0.051 0.000 0.195 591 E C 1.900 178.545 176.600 0.076 0.000 0.992 591 E CA 1.233 57.687 56.400 0.089 0.000 0.804 591 E CB -0.461 29.338 29.700 0.165 0.000 0.741 591 E HN 0.440 nan 8.360 nan 0.000 0.458 592 V N 2.138 122.095 119.914 0.071 0.000 2.324 592 V HA -0.288 3.863 4.120 0.051 0.000 0.250 592 V C 1.756 177.766 176.094 -0.139 0.000 1.060 592 V CA 2.057 64.318 62.300 -0.065 0.000 1.042 592 V CB -0.401 31.384 31.823 -0.062 0.000 0.650 592 V HN 0.260 nan 8.190 nan 0.000 0.450 593 D N -0.407 119.925 120.400 -0.113 0.000 2.084 593 D HA -0.123 4.548 4.640 0.051 0.000 0.196 593 D C 2.380 178.571 176.300 -0.183 0.000 0.985 593 D CA 1.151 55.050 54.000 -0.169 0.000 0.826 593 D CB -0.298 40.435 40.800 -0.111 0.000 0.978 593 D HN 0.384 nan 8.370 nan 0.000 0.456 594 R N 0.740 121.179 120.500 -0.102 0.000 2.105 594 R HA -0.078 4.293 4.340 0.051 0.000 0.239 594 R C 2.586 178.829 176.300 -0.095 0.000 1.135 594 R CA 0.872 56.924 56.100 -0.081 0.000 0.967 594 R CB -0.490 29.791 30.300 -0.032 0.000 0.861 594 R HN 0.378 nan 8.270 nan 0.000 0.442 595 I N -0.333 120.180 120.570 -0.096 0.000 3.001 595 I HA -0.135 4.066 4.170 0.051 0.000 0.268 595 I C 2.065 178.095 176.117 -0.146 0.000 1.267 595 I CA 1.179 62.427 61.300 -0.087 0.000 1.472 595 I CB -0.195 37.765 38.000 -0.067 0.000 1.089 595 I HN 0.064 nan 8.210 nan 0.000 0.468 596 R N 1.419 121.757 120.500 -0.271 0.000 2.344 596 R HA 0.349 4.720 4.340 0.051 0.000 0.209 596 R C 1.543 177.587 176.300 -0.426 0.000 0.886 596 R CA 0.728 56.580 56.100 -0.414 0.000 1.040 596 R CB 0.088 29.939 30.300 -0.749 0.000 1.114 596 R HN 0.329 nan 8.270 nan 0.000 0.547 597 G N 1.271 109.879 108.800 -0.320 0.000 2.159 597 G HA2 -0.298 3.693 3.960 0.051 0.000 0.256 597 G HA3 -0.298 3.693 3.960 0.051 0.000 0.256 597 G C -0.062 174.798 174.900 -0.066 0.000 0.977 597 G CA 0.742 45.749 45.100 -0.156 0.000 0.652 597 G HN 0.547 nan 8.290 nan 0.000 0.531 598 F N -2.441 117.459 119.950 -0.083 0.000 2.715 598 F HA 0.861 5.413 4.527 0.042 0.000 0.318 598 F C -0.728 174.980 175.800 -0.153 0.000 1.141 598 F CA -1.803 56.127 58.000 -0.117 0.000 0.950 598 F CB 1.621 40.573 39.000 -0.080 0.000 1.374 598 F HN 0.209 nan 8.300 nan 0.000 0.477 599 V N 2.354 122.355 119.914 0.144 0.000 2.733 599 V HA 0.339 4.490 4.120 0.051 0.000 0.306 599 V C -0.576 175.524 176.094 0.010 0.000 1.084 599 V CA -0.769 61.527 62.300 -0.008 0.000 0.905 599 V CB 2.032 33.732 31.823 -0.205 0.000 1.010 599 V HN 0.740 nan 8.190 nan 0.000 0.424 600 L N 4.099 125.361 121.223 0.064 0.000 2.367 600 L HA 0.403 4.774 4.340 0.051 0.000 0.275 600 L C 0.097 176.912 176.870 -0.091 0.000 1.129 600 L CA -0.327 54.518 54.840 0.009 0.000 0.839 600 L CB 0.704 42.733 42.059 -0.050 0.000 1.133 600 L HN 0.473 nan 8.230 nan 0.000 0.453 601 K N 3.621 124.010 120.400 -0.019 0.000 2.268 601 K HA 0.184 4.535 4.320 0.051 0.000 0.276 601 K C -0.376 176.090 176.600 -0.222 0.000 1.080 601 K CA -0.096 56.160 56.287 -0.051 0.000 0.910 601 K CB 0.539 33.098 32.500 0.098 0.000 1.163 601 K HN 0.234 nan 8.250 nan 0.000 0.465 602 K N 2.763 122.875 120.400 -0.480 0.000 2.502 602 K HA 0.057 4.408 4.320 0.051 0.000 0.244 602 K C 0.424 176.902 176.600 -0.204 0.000 1.249 602 K CA -0.050 55.707 56.287 -0.884 0.000 1.193 602 K CB 0.193 32.081 32.500 -1.020 0.000 1.674 602 K HN 0.541 nan 8.250 nan 0.000 0.302 603 T N 0.519 115.083 114.554 0.016 0.000 2.674 603 T HA -0.143 4.238 4.350 0.051 0.000 0.265 603 T C 0.898 175.683 174.700 0.142 0.000 1.039 603 T CA 1.242 63.395 62.100 0.088 0.000 1.150 603 T CB 0.116 69.046 68.868 0.103 0.000 0.864 603 T HN 0.540 nan 8.240 nan 0.000 0.427 604 A N 0.082 123.053 122.820 0.252 0.000 2.469 604 A HA 0.845 5.196 4.320 0.051 0.000 0.299 604 A C -1.200 176.551 177.584 0.279 0.000 1.098 604 A CA -0.817 51.344 52.037 0.207 0.000 0.737 604 A CB 1.784 20.864 19.000 0.133 0.000 1.312 604 A HN 0.253 nan 8.150 nan 0.000 0.414 605 M N 1.110 120.822 119.600 0.187 0.000 2.298 605 M HA 0.613 5.124 4.480 0.051 0.000 0.255 605 M C -0.779 175.578 176.300 0.095 0.000 1.021 605 M CA -0.211 55.187 55.300 0.163 0.000 0.968 605 M CB 1.319 34.068 32.600 0.249 0.000 2.037 605 M HN 1.477 nan 8.290 nan 0.000 0.478 606 A N 3.782 126.637 122.820 0.057 0.000 2.354 606 A HA 0.784 5.135 4.320 0.051 0.000 0.269 606 A C -0.937 176.674 177.584 0.046 0.000 1.109 606 A CA -0.495 51.570 52.037 0.047 0.000 0.800 606 A CB 0.612 19.633 19.000 0.034 0.000 1.045 606 A HN 0.796 nan 8.150 nan 0.000 0.489 607 V N 3.507 123.451 119.914 0.050 0.000 2.487 607 V HA 0.417 4.568 4.120 0.051 0.000 0.298 607 V C -0.206 175.923 176.094 0.059 0.000 1.028 607 V CA -0.149 62.183 62.300 0.053 0.000 0.860 607 V CB 1.523 33.379 31.823 0.056 0.000 0.991 607 V HN 0.931 nan 8.190 nan 0.000 0.427 608 M N 4.539 124.184 119.600 0.075 0.000 2.043 608 M HA 0.473 4.984 4.480 0.051 0.000 0.322 608 M C -0.928 175.475 176.300 0.172 0.000 0.962 608 M CA -0.372 55.002 55.300 0.123 0.000 0.927 608 M CB 1.283 33.965 32.600 0.136 0.000 1.466 608 M HN 0.589 nan 8.290 nan 0.000 0.412 609 D N 1.007 121.465 120.400 0.098 0.000 2.567 609 D HA 0.699 5.370 4.640 0.051 0.000 0.275 609 D C 0.751 176.963 176.300 -0.146 0.000 1.195 609 D CA 0.193 54.213 54.000 0.034 0.000 1.087 609 D CB 1.034 41.837 40.800 0.006 0.000 1.165 609 D HN 1.010 nan 8.370 nan 0.000 0.609 610 C N 0.000 119.192 119.300 -0.180 0.000 2.653 610 C HA 0.000 4.491 4.460 0.051 0.000 0.325 610 C CA 0.000 58.847 59.018 -0.285 0.000 1.963 610 C CB 0.000 27.622 27.740 -0.196 0.000 2.134 610 C HN 0.000 nan 8.230 nan 0.000 0.568