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 3oh2_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 EVSRALNXXX 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 WSVHAILSLX XXXDSRLSEV 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 0.000 175.512 175.510 0.003 0.000 1.280 3 N CA 0.000 53.062 53.050 0.019 0.000 0.885 3 N CB 0.000 38.515 38.487 0.047 0.000 1.341 4 P HA 0.503 nan 4.420 nan 0.000 0.303 4 P C -0.261 176.903 177.300 -0.227 0.000 1.350 4 P CA -0.119 62.835 63.100 -0.244 0.000 0.880 4 P CB 1.340 32.676 31.700 -0.607 0.000 1.018 5 S N 1.952 117.544 115.700 -0.180 0.000 2.599 5 S HA -0.095 4.406 4.470 0.051 0.000 0.303 5 S C 1.540 176.051 174.600 -0.148 0.000 1.267 5 S CA -0.117 58.010 58.200 -0.121 0.000 1.055 5 S CB -0.118 63.036 63.200 -0.076 0.000 0.790 5 S HN 0.483 nan 8.310 nan 0.000 0.500 6 N N 1.872 120.516 118.700 -0.095 0.000 2.272 6 N HA -0.141 4.629 4.740 0.051 0.000 0.185 6 N C 1.842 177.308 175.510 -0.073 0.000 1.014 6 N CA 1.485 54.486 53.050 -0.081 0.000 0.870 6 N CB -0.027 38.428 38.487 -0.053 0.000 0.975 6 N HN 0.730 nan 8.380 nan 0.000 0.433 7 S N -0.536 115.125 115.700 -0.064 0.000 2.458 7 S HA 0.082 4.583 4.470 0.051 0.000 0.223 7 S C 1.551 176.122 174.600 -0.050 0.000 1.019 7 S CA 0.219 58.392 58.200 -0.046 0.000 0.937 7 S CB -0.047 63.135 63.200 -0.029 0.000 0.788 7 S HN 0.141 nan 8.310 nan 0.000 0.511 8 N N 1.932 120.583 118.700 -0.083 0.000 2.309 8 N HA 0.155 4.926 4.740 0.051 0.000 0.182 8 N C 1.543 176.995 175.510 -0.096 0.000 1.018 8 N CA 0.942 53.947 53.050 -0.075 0.000 0.876 8 N CB -0.528 37.874 38.487 -0.142 0.000 0.972 8 N HN 0.442 nan 8.380 nan 0.000 0.434 9 L N -0.089 121.034 121.223 -0.167 0.000 2.109 9 L HA -0.120 4.250 4.340 0.051 0.000 0.207 9 L C 2.333 179.186 176.870 -0.029 0.000 1.086 9 L CA 0.889 55.675 54.840 -0.090 0.000 0.760 9 L CB -0.395 41.610 42.059 -0.089 0.000 0.910 9 L HN 0.159 nan 8.230 nan 0.000 0.437 10 Q N 0.761 120.533 119.800 -0.045 0.000 2.084 10 Q HA -0.171 4.200 4.340 0.051 0.000 0.202 10 Q C 2.202 178.172 176.000 -0.049 0.000 0.978 10 Q CA 2.162 57.931 55.803 -0.057 0.000 0.844 10 Q CB -0.267 28.444 28.738 -0.044 0.000 0.898 10 Q HN 0.402 nan 8.270 nan 0.000 0.426 11 A N 0.080 122.894 122.820 -0.010 0.000 1.940 11 A HA -0.143 4.207 4.320 0.051 0.000 0.219 11 A C 1.994 179.602 177.584 0.039 0.000 1.176 11 A CA 1.542 53.589 52.037 0.018 0.000 0.631 11 A CB -0.789 18.239 19.000 0.046 0.000 0.814 11 A HN 0.483 nan 8.150 nan 0.000 0.446 12 L N -0.214 121.056 121.223 0.077 0.000 2.072 12 L HA -0.030 4.340 4.340 0.051 0.000 0.205 12 L C 2.400 179.294 176.870 0.040 0.000 1.079 12 L CA 2.250 57.158 54.840 0.113 0.000 0.752 12 L CB -0.669 41.529 42.059 0.231 0.000 0.906 12 L HN 0.474 nan 8.230 nan 0.000 0.436 13 R N -0.302 120.153 120.500 -0.075 0.000 2.091 13 R HA -0.200 4.170 4.340 0.051 0.000 0.238 13 R C 2.103 178.253 176.300 -0.250 0.000 1.136 13 R CA 2.018 57.909 56.100 -0.347 0.000 0.959 13 R CB -0.242 29.651 30.300 -0.677 0.000 0.856 13 R HN 0.534 nan 8.270 nan 0.000 0.437 14 E N 0.116 120.228 120.200 -0.148 0.000 2.051 14 E HA -0.244 4.137 4.350 0.051 0.000 0.192 14 E C 1.949 178.539 176.600 -0.017 0.000 0.991 14 E CA 1.476 57.828 56.400 -0.080 0.000 0.799 14 E CB -0.102 29.568 29.700 -0.051 0.000 0.748 14 E HN 0.480 nan 8.360 nan 0.000 0.449 15 E N 1.031 121.238 120.200 0.011 0.000 2.070 15 E HA -0.216 4.165 4.350 0.051 0.000 0.197 15 E C 1.998 178.636 176.600 0.064 0.000 1.004 15 E CA 0.970 57.396 56.400 0.043 0.000 0.805 15 E CB -0.066 29.670 29.700 0.061 0.000 0.744 15 E HN 0.221 nan 8.360 nan 0.000 0.451 16 L N 0.151 121.426 121.223 0.087 0.000 2.456 16 L HA -0.122 4.249 4.340 0.051 0.000 0.224 16 L C 2.003 178.948 176.870 0.126 0.000 1.148 16 L CA 0.179 55.093 54.840 0.123 0.000 0.825 16 L CB -0.009 42.163 42.059 0.188 0.000 0.937 16 L HN 0.362 nan 8.230 nan 0.000 0.450 17 C N -0.714 118.647 119.300 0.102 0.000 2.697 17 C HA 0.073 4.563 4.460 0.051 0.000 0.267 17 C C 1.711 176.737 174.990 0.060 0.000 1.278 17 C CA -0.173 58.896 59.018 0.084 0.000 1.708 17 C CB -1.147 26.626 27.740 0.055 0.000 1.860 17 C HN 0.508 nan 8.230 nan 0.000 0.589 18 T N -0.543 114.045 114.554 0.056 0.000 2.849 18 T HA 0.327 4.707 4.350 0.051 0.000 0.284 18 T C -2.915 171.815 174.700 0.050 0.000 1.004 18 T CA -1.503 60.623 62.100 0.044 0.000 1.021 18 T CB 0.495 69.386 68.868 0.038 0.000 1.013 18 T HN -0.073 nan 8.240 nan 0.000 0.527 19 P HA 0.285 nan 4.420 nan 0.000 0.264 19 P C 1.130 178.442 177.300 0.021 0.000 1.193 19 P CA 1.125 64.239 63.100 0.025 0.000 0.763 19 P CB 0.270 31.976 31.700 0.009 0.000 0.810 20 G N 2.043 110.850 108.800 0.011 0.000 2.258 20 G HA2 -0.264 3.727 3.960 0.051 0.000 0.233 20 G HA3 -0.264 3.727 3.960 0.051 0.000 0.233 20 G C 0.618 175.600 174.900 0.138 0.000 1.006 20 G CA 0.213 45.311 45.100 -0.003 0.000 0.620 20 G HN 0.474 nan 8.290 nan 0.000 0.511 21 L N -0.611 120.688 121.223 0.125 0.000 2.435 21 L HA 0.299 4.670 4.340 0.051 0.000 0.195 21 L C 0.872 177.829 176.870 0.145 0.000 1.072 21 L CA 0.545 55.473 54.840 0.146 0.000 0.833 21 L CB -0.107 42.019 42.059 0.111 0.000 1.081 21 L HN 0.123 nan 8.230 nan 0.000 0.485 22 D N 1.351 121.832 120.400 0.135 0.000 2.686 22 D HA -0.175 4.495 4.640 0.051 0.000 0.235 22 D C 0.212 176.653 176.300 0.235 0.000 1.160 22 D CA 0.516 54.623 54.000 0.179 0.000 0.645 22 D CB -0.544 40.396 40.800 0.232 0.000 1.039 22 D HN 0.393 nan 8.370 nan 0.000 0.423 23 Q N -0.826 119.033 119.800 0.099 0.000 2.242 23 Q HA 0.228 4.599 4.340 0.051 0.000 0.246 23 Q C 1.877 177.653 176.000 -0.374 0.000 0.883 23 Q CA 0.333 56.068 55.803 -0.113 0.000 0.984 23 Q CB 0.564 29.189 28.738 -0.187 0.000 1.096 23 Q HN 0.471 nan 8.270 nan 0.000 0.452 24 G N 1.441 110.166 108.800 -0.124 0.000 2.442 24 G HA2 -0.287 3.704 3.960 0.051 0.000 0.219 24 G HA3 -0.287 3.704 3.960 0.051 0.000 0.219 24 G C 1.254 175.966 174.900 -0.312 0.000 1.141 24 G CA 0.964 45.999 45.100 -0.109 0.000 0.763 24 G HN 0.624 nan 8.290 nan 0.000 0.554 25 H N 0.438 119.359 119.070 -0.249 0.000 2.541 25 H HA 0.047 4.634 4.556 0.051 0.000 0.289 25 H C 2.125 177.232 175.328 -0.369 0.000 1.054 25 H CA 0.798 56.687 56.048 -0.265 0.000 1.250 25 H CB -0.460 29.146 29.762 -0.260 0.000 1.369 25 H HN 0.348 nan 8.280 nan 0.000 0.578 26 L N -0.262 120.276 121.223 -1.141 0.000 2.156 26 L HA -0.034 4.336 4.340 0.051 0.000 0.208 26 L C 1.169 177.273 176.870 -1.277 0.000 1.095 26 L CA 0.965 55.083 54.840 -1.204 0.000 0.770 26 L CB -0.247 40.820 42.059 -1.654 0.000 0.914 26 L HN 0.155 nan 8.230 nan 0.000 0.439 27 F N -0.551 118.884 119.950 -0.860 0.000 2.708 27 F HA 0.201 4.759 4.527 0.051 0.000 0.300 27 F C 0.966 176.274 175.800 -0.820 0.000 1.118 27 F CA -0.671 56.416 58.000 -1.521 0.000 1.307 27 F CB -0.039 38.252 39.000 -1.182 0.000 0.986 27 F HN -0.021 nan 8.300 nan 0.000 0.522 28 E N 1.425 121.454 120.200 -0.285 0.000 2.417 28 E HA 0.274 4.654 4.350 0.051 0.000 0.261 28 E C 1.132 177.853 176.600 0.201 0.000 1.000 28 E CA 0.638 57.029 56.400 -0.015 0.000 0.919 28 E CB 0.365 30.064 29.700 -0.001 0.000 0.955 28 E HN 0.552 nan 8.360 nan 0.000 0.455 29 G N 3.974 112.900 108.800 0.210 0.000 2.256 29 G HA2 -0.236 3.755 3.960 0.051 0.000 0.272 29 G HA3 -0.236 3.755 3.960 0.051 0.000 0.272 29 G C -0.847 174.307 174.900 0.423 0.000 1.076 29 G CA 0.098 45.352 45.100 0.257 0.000 0.882 29 G HN 0.402 nan 8.290 nan 0.000 0.497 30 W N -0.620 120.711 121.300 0.051 0.000 2.578 30 W HA 0.665 5.356 4.660 0.051 0.000 0.353 30 W C -1.364 175.166 176.519 0.018 0.000 1.088 30 W CA -2.457 54.916 57.345 0.046 0.000 1.235 30 W CB -0.073 29.435 29.460 0.080 0.000 1.362 30 W HN 0.090 nan 8.180 nan 0.000 0.592 31 P HA 0.060 nan 4.420 nan 0.000 0.274 31 P C 0.395 177.761 177.300 0.110 0.000 1.264 31 P CA -0.009 63.146 63.100 0.092 0.000 0.795 31 P CB 0.906 32.617 31.700 0.018 0.000 1.064 32 E N -1.030 119.203 120.200 0.056 0.000 2.051 32 E HA -0.029 4.352 4.350 0.051 0.000 0.189 32 E C 0.589 177.202 176.600 0.022 0.000 0.979 32 E CA 1.097 57.519 56.400 0.036 0.000 0.803 32 E CB -0.165 29.545 29.700 0.017 0.000 0.761 32 E HN 0.617 nan 8.360 nan 0.000 0.451 33 T N -2.105 112.458 114.554 0.015 0.000 2.844 33 T HA 0.299 4.680 4.350 0.051 0.000 0.274 33 T C 1.264 175.966 174.700 0.003 0.000 0.991 33 T CA -0.762 61.339 62.100 0.001 0.000 0.983 33 T CB 1.175 70.037 68.868 -0.009 0.000 1.310 33 T HN -0.188 nan 8.240 nan 0.000 0.596 34 V N 0.625 120.533 119.914 -0.010 0.000 2.535 34 V HA -0.027 4.124 4.120 0.051 0.000 0.246 34 V C 2.092 178.165 176.094 -0.036 0.000 1.045 34 V CA 1.578 63.868 62.300 -0.016 0.000 1.058 34 V CB -1.107 30.703 31.823 -0.022 0.000 0.689 34 V HN 0.824 nan 8.190 nan 0.000 0.461 35 D N 0.937 121.317 120.400 -0.033 0.000 2.149 35 D HA -0.201 4.469 4.640 0.051 0.000 0.198 35 D C 1.850 178.120 176.300 -0.049 0.000 0.990 35 D CA 1.412 55.389 54.000 -0.038 0.000 0.839 35 D CB -0.216 40.566 40.800 -0.029 0.000 0.948 35 D HN 0.564 nan 8.370 nan 0.000 0.460 36 E N -0.469 119.701 120.200 -0.049 0.000 2.511 36 E HA 0.061 4.442 4.350 0.051 0.000 0.196 36 E C -0.273 176.265 176.600 -0.104 0.000 1.066 36 E CA -0.010 56.354 56.400 -0.060 0.000 0.871 36 E CB 0.124 29.800 29.700 -0.041 0.000 0.863 36 E HN 0.238 nan 8.360 nan 0.000 0.520 37 C N 2.834 122.055 119.300 -0.132 0.000 2.350 37 C HA 0.231 4.722 4.460 0.051 0.000 0.348 37 C C 0.580 175.450 174.990 -0.200 0.000 1.260 37 C CA -1.634 57.243 59.018 -0.235 0.000 1.966 37 C CB -0.443 27.118 27.740 -0.298 0.000 2.380 37 C HN 0.485 nan 8.230 nan 0.000 0.535 38 N N 1.585 120.146 118.700 -0.232 0.000 2.297 38 N HA 0.017 4.788 4.740 0.051 0.000 0.232 38 N C 0.578 176.001 175.510 -0.144 0.000 1.311 38 N CA -0.061 52.892 53.050 -0.163 0.000 0.897 38 N CB 0.416 38.811 38.487 -0.153 0.000 1.137 38 N HN 0.692 nan 8.380 nan 0.000 0.449 39 E N -0.849 119.296 120.200 -0.091 0.000 2.160 39 E HA -0.236 4.145 4.350 0.051 0.000 0.195 39 E C 1.526 178.094 176.600 -0.054 0.000 0.991 39 E CA 0.879 57.242 56.400 -0.061 0.000 0.810 39 E CB -0.070 29.607 29.700 -0.038 0.000 0.742 39 E HN 0.488 nan 8.360 nan 0.000 0.466 40 R N 1.038 121.498 120.500 -0.067 0.000 2.193 40 R HA -0.121 4.250 4.340 0.051 0.000 0.229 40 R C 1.803 178.076 176.300 -0.045 0.000 1.110 40 R CA 1.367 57.442 56.100 -0.042 0.000 0.988 40 R CB 0.083 30.358 30.300 -0.042 0.000 0.871 40 R HN 0.220 nan 8.270 nan 0.000 0.458 41 Q N -1.081 118.625 119.800 -0.157 0.000 2.259 41 Q HA 0.093 4.464 4.340 0.051 0.000 0.201 41 Q C 1.511 177.483 176.000 -0.047 0.000 0.938 41 Q CA 0.461 56.101 55.803 -0.272 0.000 0.872 41 Q CB 0.292 28.466 28.738 -0.941 0.000 0.971 41 Q HN 0.255 nan 8.270 nan 0.000 0.494 42 I N 0.976 121.508 120.570 -0.064 0.000 2.546 42 I HA -0.136 4.065 4.170 0.051 0.000 0.255 42 I C 2.242 178.398 176.117 0.065 0.000 1.163 42 I CA 0.896 62.206 61.300 0.017 0.000 1.457 42 I CB -1.327 36.659 38.000 -0.022 0.000 1.092 42 I HN 0.087 nan 8.210 nan 0.000 0.434 43 A N 1.194 124.047 122.820 0.053 0.000 1.877 43 A HA -0.195 4.156 4.320 0.051 0.000 0.216 43 A C 2.437 180.092 177.584 0.117 0.000 1.186 43 A CA 1.454 53.535 52.037 0.072 0.000 0.620 43 A CB -0.884 18.147 19.000 0.052 0.000 0.822 43 A HN 0.409 nan 8.150 nan 0.000 0.443 44 L N -0.840 120.474 121.223 0.152 0.000 2.017 44 L HA -0.102 4.268 4.340 0.051 0.000 0.208 44 L C 2.443 179.437 176.870 0.207 0.000 1.073 44 L CA 1.499 56.446 54.840 0.178 0.000 0.745 44 L CB -0.204 41.996 42.059 0.235 0.000 0.894 44 L HN 0.424 nan 8.230 nan 0.000 0.432 45 L N -0.911 120.487 121.223 0.292 0.000 2.191 45 L HA -0.203 4.168 4.340 0.051 0.000 0.212 45 L C 2.307 179.307 176.870 0.217 0.000 1.103 45 L CA 1.573 56.585 54.840 0.288 0.000 0.769 45 L CB -0.290 41.962 42.059 0.321 0.000 0.908 45 L HN 0.349 nan 8.230 nan 0.000 0.438 46 T N -1.624 113.036 114.554 0.177 0.000 2.809 46 T HA -0.177 4.204 4.350 0.051 0.000 0.260 46 T C 1.451 176.288 174.700 0.228 0.000 1.039 46 T CA 1.239 63.443 62.100 0.173 0.000 1.141 46 T CB -0.160 68.773 68.868 0.108 0.000 0.869 46 T HN 0.327 nan 8.240 nan 0.000 0.437 47 D N 1.261 121.778 120.400 0.194 0.000 2.133 47 D HA -0.094 4.577 4.640 0.051 0.000 0.195 47 D C 1.984 178.456 176.300 0.288 0.000 0.997 47 D CA 1.085 55.217 54.000 0.219 0.000 0.840 47 D CB -0.380 40.533 40.800 0.189 0.000 0.947 47 D HN 0.310 nan 8.370 nan 0.000 0.452 48 L N -0.899 120.450 121.223 0.211 0.000 2.093 48 L HA -0.155 4.216 4.340 0.051 0.000 0.208 48 L C 2.353 179.381 176.870 0.263 0.000 1.085 48 L CA 0.944 55.873 54.840 0.150 0.000 0.755 48 L CB -0.493 41.590 42.059 0.041 0.000 0.904 48 L HN 0.131 nan 8.230 nan 0.000 0.435 49 Y N -0.142 120.251 120.300 0.156 0.000 2.200 49 Y HA -0.229 4.352 4.550 0.051 0.000 0.290 49 Y C 2.592 178.588 175.900 0.161 0.000 1.137 49 Y CA 1.404 59.590 58.100 0.143 0.000 1.163 49 Y CB 0.108 38.631 38.460 0.105 0.000 0.988 49 Y HN 0.050 nan 8.280 nan 0.000 0.518 50 M N -1.171 118.595 119.600 0.276 0.000 2.254 50 M HA -0.169 4.341 4.480 0.051 0.000 0.265 50 M C 2.113 178.497 176.300 0.140 0.000 1.066 50 M CA 1.115 56.525 55.300 0.182 0.000 1.123 50 M CB -1.605 31.112 32.600 0.195 0.000 1.388 50 M HN 0.426 nan 8.290 nan 0.000 0.425 51 F N 1.471 121.459 119.950 0.063 0.000 2.225 51 F HA -0.296 4.262 4.527 0.051 0.000 0.302 51 F C 2.249 178.069 175.800 0.032 0.000 1.068 51 F CA 1.270 59.295 58.000 0.042 0.000 1.327 51 F CB 0.012 39.106 39.000 0.157 0.000 1.043 51 F HN 0.122 nan 8.300 nan 0.000 0.506 52 S N 0.540 116.236 115.700 -0.006 0.000 2.392 52 S HA -0.301 4.199 4.470 0.051 0.000 0.232 52 S C 1.258 175.773 174.600 -0.142 0.000 1.041 52 S CA 1.906 60.046 58.200 -0.100 0.000 1.026 52 S CB -0.742 62.358 63.200 -0.167 0.000 0.845 52 S HN 0.705 nan 8.310 nan 0.000 0.465 53 N N 0.272 118.899 118.700 -0.122 0.000 2.398 53 N HA 0.175 4.946 4.740 0.051 0.000 0.188 53 N C 1.233 176.660 175.510 -0.139 0.000 1.122 53 N CA 0.362 53.350 53.050 -0.103 0.000 0.866 53 N CB -0.125 38.329 38.487 -0.056 0.000 0.970 53 N HN 0.361 nan 8.380 nan 0.000 0.462 54 M N -1.349 118.110 119.600 -0.235 0.000 2.514 54 M HA 0.186 4.697 4.480 0.051 0.000 0.258 54 M C -0.617 175.473 176.300 -0.351 0.000 1.159 54 M CA 0.227 55.357 55.300 -0.283 0.000 1.116 54 M CB 0.591 32.995 32.600 -0.327 0.000 1.333 54 M HN 0.160 nan 8.290 nan 0.000 0.487 55 Y N 0.673 120.595 120.300 -0.629 0.000 2.441 55 Y HA 0.375 4.956 4.550 0.051 0.000 0.334 55 Y C -2.737 172.989 175.900 -0.290 0.000 1.061 55 Y CA -2.443 55.318 58.100 -0.565 0.000 1.032 55 Y CB 1.753 39.570 38.460 -1.071 0.000 1.266 55 Y HN -0.166 nan 8.280 nan 0.000 0.441 56 P HA 0.216 nan 4.420 nan 0.000 0.265 56 P C 0.406 177.660 177.300 -0.076 0.000 1.222 56 P CA 1.860 64.796 63.100 -0.273 0.000 0.767 56 P CB 0.511 32.017 31.700 -0.324 0.000 0.801 57 G N 2.734 111.542 108.800 0.014 0.000 2.157 57 G HA2 -0.007 3.983 3.960 0.051 0.000 0.248 57 G HA3 -0.007 3.983 3.960 0.051 0.000 0.248 57 G C 0.652 175.663 174.900 0.185 0.000 0.979 57 G CA 0.240 45.398 45.100 0.095 0.000 0.650 57 G HN 0.933 nan 8.290 nan 0.000 0.529 58 G N -1.494 107.423 108.800 0.196 0.000 2.598 58 G HA2 -0.068 3.923 3.960 0.051 0.000 0.269 58 G HA3 -0.068 3.923 3.960 0.051 0.000 0.269 58 G C 1.255 176.476 174.900 0.535 0.000 1.289 58 G CA 1.632 46.900 45.100 0.280 0.000 0.926 58 G HN 1.626 nan 8.290 nan 0.000 0.567 59 V N 0.729 120.947 119.914 0.506 0.000 2.667 59 V HA 0.185 4.336 4.120 0.051 0.000 0.252 59 V C 3.132 179.402 176.094 0.293 0.000 1.065 59 V CA 2.908 65.444 62.300 0.394 0.000 1.083 59 V CB -0.917 30.973 31.823 0.113 0.000 0.692 59 V HN 1.758 nan 8.190 nan 0.000 0.468 60 A N -0.602 122.358 122.820 0.233 0.000 1.877 60 A HA -0.269 4.081 4.320 0.051 0.000 0.216 60 A C 2.115 179.830 177.584 0.218 0.000 1.186 60 A CA 2.116 54.264 52.037 0.185 0.000 0.620 60 A CB -0.597 18.487 19.000 0.140 0.000 0.822 60 A HN 0.591 nan 8.150 nan 0.000 0.443 61 Q N -1.774 118.188 119.800 0.271 0.000 2.172 61 Q HA -0.132 4.238 4.340 0.051 0.000 0.200 61 Q C 1.752 177.976 176.000 0.374 0.000 0.964 61 Q CA 1.731 57.705 55.803 0.284 0.000 0.855 61 Q CB -0.609 28.294 28.738 0.275 0.000 0.918 61 Q HN 0.704 nan 8.270 nan 0.000 0.444 62 Y N 0.235 120.741 120.300 0.343 0.000 2.114 62 Y HA -0.245 4.336 4.550 0.051 0.000 0.282 62 Y C 1.711 177.747 175.900 0.228 0.000 1.165 62 Y CA 2.053 60.283 58.100 0.216 0.000 1.148 62 Y CB -0.182 38.306 38.460 0.047 0.000 0.972 62 Y HN 0.159 nan 8.280 nan 0.000 0.504 63 I N -0.272 120.461 120.570 0.271 0.000 2.226 63 I HA -0.323 3.878 4.170 0.051 0.000 0.245 63 I C 2.423 178.449 176.117 -0.153 0.000 1.100 63 I CA 1.532 62.873 61.300 0.070 0.000 1.374 63 I CB -0.425 37.619 38.000 0.073 0.000 1.057 63 I HN 0.161 nan 8.210 nan 0.000 0.413 64 R N 0.692 121.216 120.500 0.040 0.000 2.115 64 R HA -0.092 4.279 4.340 0.051 0.000 0.230 64 R C 1.955 178.284 176.300 0.049 0.000 1.111 64 R CA 1.394 57.555 56.100 0.102 0.000 0.976 64 R CB -0.491 29.890 30.300 0.136 0.000 0.870 64 R HN 0.544 nan 8.270 nan 0.000 0.445 65 N N -0.076 118.645 118.700 0.035 0.000 2.142 65 N HA -0.118 4.653 4.740 0.051 0.000 0.186 65 N C 1.971 177.446 175.510 -0.059 0.000 1.023 65 N CA 0.846 53.909 53.050 0.022 0.000 0.852 65 N CB -0.209 38.329 38.487 0.084 0.000 0.998 65 N HN 0.253 nan 8.380 nan 0.000 0.424 66 G N 0.674 109.369 108.800 -0.175 0.000 2.440 66 G HA2 -0.276 3.714 3.960 0.051 0.000 0.218 66 G HA3 -0.276 3.714 3.960 0.051 0.000 0.218 66 G C 1.028 175.729 174.900 -0.331 0.000 1.154 66 G CA 1.030 45.931 45.100 -0.332 0.000 0.767 66 G HN 0.441 nan 8.290 nan 0.000 0.552 67 H N -0.332 118.596 119.070 -0.236 0.000 2.321 67 H HA -0.032 4.555 4.556 0.051 0.000 0.300 67 H C 2.472 177.739 175.328 -0.101 0.000 1.087 67 H CA 1.419 57.360 56.048 -0.178 0.000 1.319 67 H CB 0.082 29.765 29.762 -0.133 0.000 1.379 67 H HN 0.476 nan 8.280 nan 0.000 0.501 68 E N 0.764 121.002 120.200 0.063 0.000 2.110 68 E HA -0.164 4.216 4.350 0.051 0.000 0.193 68 E C 1.905 178.520 176.600 0.025 0.000 0.988 68 E CA 0.835 57.258 56.400 0.038 0.000 0.804 68 E CB 0.045 29.767 29.700 0.037 0.000 0.745 68 E HN 0.446 nan 8.360 nan 0.000 0.458 69 L N 0.230 121.462 121.223 0.015 0.000 2.095 69 L HA -0.105 4.266 4.340 0.051 0.000 0.204 69 L C 2.537 179.429 176.870 0.037 0.000 1.080 69 L CA 0.523 55.382 54.840 0.032 0.000 0.759 69 L CB -0.263 41.818 42.059 0.036 0.000 0.914 69 L HN 0.214 nan 8.230 nan 0.000 0.439 70 L N -0.190 121.042 121.223 0.015 0.000 2.083 70 L HA -0.199 4.172 4.340 0.051 0.000 0.209 70 L C 2.891 179.797 176.870 0.059 0.000 1.083 70 L CA 1.059 55.928 54.840 0.048 0.000 0.752 70 L CB -0.731 41.334 42.059 0.010 0.000 0.899 70 L HN 0.246 nan 8.230 nan 0.000 0.433 71 A N 0.103 122.944 122.820 0.035 0.000 1.917 71 A HA -0.275 4.076 4.320 0.051 0.000 0.219 71 A C 2.427 180.025 177.584 0.023 0.000 1.182 71 A CA 1.973 54.024 52.037 0.023 0.000 0.633 71 A CB -0.588 18.417 19.000 0.009 0.000 0.819 71 A HN 0.385 nan 8.150 nan 0.000 0.448 72 R N -0.643 119.873 120.500 0.027 0.000 2.299 72 R HA 0.022 4.393 4.340 0.051 0.000 0.197 72 R C 0.863 177.180 176.300 0.029 0.000 0.971 72 R CA 0.560 56.670 56.100 0.017 0.000 1.030 72 R CB 0.058 30.368 30.300 0.017 0.000 0.932 72 R HN 0.412 nan 8.270 nan 0.000 0.477 73 E N 0.441 120.675 120.200 0.057 0.000 2.411 73 E HA 0.028 4.408 4.350 0.051 0.000 0.204 73 E C -0.126 176.526 176.600 0.088 0.000 1.059 73 E CA 0.071 56.524 56.400 0.089 0.000 1.112 73 E CB 0.676 30.456 29.700 0.134 0.000 1.168 73 E HN 0.387 nan 8.360 nan 0.000 0.445 74 S N -1.341 114.384 115.700 0.042 0.000 2.649 74 S HA 0.169 4.670 4.470 0.051 0.000 0.246 74 S C 0.488 175.083 174.600 -0.007 0.000 1.057 74 S CA -0.540 57.668 58.200 0.013 0.000 1.051 74 S CB 0.485 63.691 63.200 0.009 0.000 1.018 74 S HN 0.058 nan 8.310 nan 0.000 0.569 75 E N 1.861 122.057 120.200 -0.006 0.000 2.239 75 E HA 0.420 4.800 4.350 0.051 0.000 0.261 75 E C -1.018 175.567 176.600 -0.025 0.000 1.016 75 E CA -0.716 55.671 56.400 -0.021 0.000 0.882 75 E CB 0.857 30.540 29.700 -0.028 0.000 1.190 75 E HN 0.405 nan 8.360 nan 0.000 0.415 76 E N 0.761 120.940 120.200 -0.034 0.000 2.229 76 E HA 0.244 4.625 4.350 0.051 0.000 0.283 76 E C -0.323 176.239 176.600 -0.063 0.000 1.030 76 E CA -0.520 55.857 56.400 -0.038 0.000 0.836 76 E CB 1.240 30.919 29.700 -0.034 0.000 1.068 76 E HN 0.138 nan 8.360 nan 0.000 0.401 77 V N 3.552 123.424 119.914 -0.069 0.000 2.788 77 V HA -0.030 4.120 4.120 0.051 0.000 0.307 77 V C 0.038 176.044 176.094 -0.148 0.000 1.069 77 V CA 0.651 62.871 62.300 -0.133 0.000 1.173 77 V CB 0.284 32.044 31.823 -0.104 0.000 0.925 77 V HN 0.744 nan 8.190 nan 0.000 0.492 78 D N 2.051 122.283 120.400 -0.279 0.000 2.837 78 D HA 0.527 5.197 4.640 0.051 0.000 0.220 78 D C -1.166 174.907 176.300 -0.379 0.000 1.236 78 D CA -0.233 53.648 54.000 -0.198 0.000 0.838 78 D CB 1.815 42.556 40.800 -0.098 0.000 1.647 78 D HN 0.273 nan 8.370 nan 0.000 0.486 79 F N 0.651 120.591 119.950 -0.015 0.000 2.495 79 F HA 0.517 5.075 4.527 0.051 0.000 0.327 79 F C 1.370 177.153 175.800 -0.028 0.000 1.103 79 F CA -0.819 57.169 58.000 -0.020 0.000 0.949 79 F CB 1.968 40.967 39.000 -0.003 0.000 1.142 79 F HN 0.471 nan 8.300 nan 0.000 0.457 80 A N 2.474 125.357 122.820 0.104 0.000 1.972 80 A HA 0.403 4.754 4.320 0.051 0.000 0.219 80 A C 0.862 178.466 177.584 0.033 0.000 1.169 80 A CA 1.481 53.533 52.037 0.026 0.000 0.635 80 A CB -0.357 18.615 19.000 -0.047 0.000 0.810 80 A HN 0.791 nan 8.150 nan 0.000 0.446 81 A N -1.720 121.128 122.820 0.048 0.000 2.520 81 A HA 0.692 5.042 4.320 0.051 0.000 0.298 81 A C -1.498 176.177 177.584 0.152 0.000 1.051 81 A CA -0.366 51.707 52.037 0.061 0.000 0.690 81 A CB 1.295 20.174 19.000 -0.202 0.000 1.281 81 A HN 0.663 nan 8.150 nan 0.000 0.402 82 L N 1.619 122.969 121.223 0.212 0.000 2.562 82 L HA 0.615 4.986 4.340 0.051 0.000 0.266 82 L C -0.405 176.547 176.870 0.135 0.000 0.949 82 L CA 0.170 55.047 54.840 0.061 0.000 0.879 82 L CB 1.725 43.770 42.059 -0.023 0.000 1.278 82 L HN 1.042 nan 8.230 nan 0.000 0.404 83 E N 3.260 123.440 120.200 -0.033 0.000 2.394 83 E HA 0.435 4.816 4.350 0.051 0.000 0.266 83 E C -1.212 175.329 176.600 -0.098 0.000 1.065 83 E CA -1.137 55.314 56.400 0.085 0.000 0.885 83 E CB 1.392 31.098 29.700 0.009 0.000 1.659 83 E HN 0.367 nan 8.360 nan 0.000 0.462 84 M N 1.684 121.332 119.600 0.081 0.000 2.238 84 M HA 0.258 4.769 4.480 0.051 0.000 0.350 84 M C -2.373 173.807 176.300 -0.199 0.000 1.321 84 M CA -1.598 53.714 55.300 0.019 0.000 1.097 84 M CB 0.605 33.222 32.600 0.028 0.000 1.713 84 M HN 0.244 nan 8.290 nan 0.000 0.455 85 P HA 0.079 nan 4.420 nan 0.000 0.265 85 P C -2.303 174.846 177.300 -0.253 0.000 1.193 85 P CA -0.817 62.128 63.100 -0.258 0.000 0.765 85 P CB 0.010 31.562 31.700 -0.246 0.000 0.823 86 P HA -0.089 nan 4.420 nan 0.000 0.215 86 P C 0.055 177.192 177.300 -0.272 0.000 1.153 86 P CA 1.416 64.369 63.100 -0.244 0.000 0.853 86 P CB 0.082 31.656 31.700 -0.210 0.000 0.788 87 L N 0.189 121.259 121.223 -0.254 0.000 2.353 87 L HA 0.297 4.668 4.340 0.051 0.000 0.269 87 L C -0.273 176.250 176.870 -0.579 0.000 1.085 87 L CA -0.364 54.256 54.840 -0.365 0.000 0.938 87 L CB 0.239 42.291 42.059 -0.012 0.000 1.312 87 L HN -0.099 nan 8.230 nan 0.000 0.429 88 I N 2.542 122.550 120.570 -0.937 0.000 2.498 88 I HA 0.475 4.676 4.170 0.051 0.000 0.290 88 I C -0.530 174.947 176.117 -1.067 0.000 1.032 88 I CA -0.375 60.494 61.300 -0.719 0.000 1.073 88 I CB 1.916 39.680 38.000 -0.393 0.000 1.251 88 I HN 0.208 nan 8.210 nan 0.000 0.426 89 F N 3.372 123.211 119.950 -0.186 0.000 2.540 89 F HA 0.428 4.985 4.527 0.051 0.000 0.317 89 F C 0.516 176.197 175.800 -0.198 0.000 1.104 89 F CA -0.796 57.082 58.000 -0.204 0.000 0.913 89 F CB 1.709 40.566 39.000 -0.239 0.000 1.170 89 F HN 0.285 nan 8.300 nan 0.000 0.450 90 E N 1.930 122.113 120.200 -0.027 0.000 2.146 90 E HA 0.531 4.912 4.350 0.051 0.000 0.282 90 E C -0.494 176.016 176.600 -0.151 0.000 0.989 90 E CA -0.692 55.637 56.400 -0.118 0.000 0.799 90 E CB 1.859 31.502 29.700 -0.094 0.000 1.088 90 E HN 0.693 nan 8.360 nan 0.000 0.397 91 A N 5.624 128.244 122.820 -0.333 0.000 2.462 91 A HA 0.271 4.622 4.320 0.051 0.000 0.243 91 A C -1.854 175.629 177.584 -0.168 0.000 1.076 91 A CA -1.042 50.783 52.037 -0.353 0.000 0.773 91 A CB -0.273 18.227 19.000 -0.833 0.000 1.010 91 A HN 0.380 nan 8.150 nan 0.000 0.493 92 P HA 0.064 nan 4.420 nan 0.000 0.269 92 P C 0.208 177.479 177.300 -0.049 0.000 1.215 92 P CA -0.141 62.924 63.100 -0.057 0.000 0.780 92 P CB 0.522 32.202 31.700 -0.033 0.000 0.898 93 S N 0.791 116.432 115.700 -0.097 0.000 2.558 93 S HA -0.024 4.476 4.470 0.051 0.000 0.293 93 S C 1.499 176.030 174.600 -0.116 0.000 1.292 93 S CA -0.561 57.535 58.200 -0.173 0.000 1.063 93 S CB -0.409 62.518 63.200 -0.455 0.000 0.831 93 S HN 0.397 nan 8.310 nan 0.000 0.499 94 L N 4.230 125.445 121.223 -0.015 0.000 2.456 94 L HA 0.141 4.512 4.340 0.051 0.000 0.224 94 L C 1.537 178.448 176.870 0.067 0.000 1.148 94 L CA 1.487 56.373 54.840 0.078 0.000 0.825 94 L CB -0.862 41.303 42.059 0.176 0.000 0.937 94 L HN 0.903 nan 8.230 nan 0.000 0.450 95 H N -1.376 117.727 119.070 0.055 0.000 2.512 95 H HA 0.482 5.069 4.556 0.053 0.000 0.276 95 H C -0.435 174.895 175.328 0.005 0.000 1.126 95 H CA -0.610 55.450 56.048 0.020 0.000 1.060 95 H CB 0.243 30.000 29.762 -0.010 0.000 1.646 95 H HN 0.358 nan 8.280 nan 0.000 0.571 96 R N 1.473 121.926 120.500 -0.080 0.000 2.483 96 R HA 0.273 4.644 4.340 0.051 0.000 0.303 96 R C -0.485 175.809 176.300 -0.011 0.000 0.987 96 R CA -0.663 55.419 56.100 -0.030 0.000 0.881 96 R CB 2.282 32.528 30.300 -0.091 0.000 1.177 96 R HN 0.120 nan 8.270 nan 0.000 0.451 97 R N 2.620 123.127 120.500 0.012 0.000 4.138 97 R HA 0.058 4.429 4.340 0.051 0.000 0.206 97 R C -0.083 176.222 176.300 0.008 0.000 1.667 97 R CA -0.003 56.105 56.100 0.015 0.000 1.481 97 R CB -0.173 30.140 30.300 0.021 0.000 1.388 97 R HN 0.646 nan 8.270 nan 0.000 0.776 98 T N -2.181 112.374 114.554 0.001 0.000 2.816 98 T HA 0.304 4.684 4.350 0.051 0.000 0.282 98 T C 1.534 176.237 174.700 0.004 0.000 0.993 98 T CA -0.295 61.805 62.100 -0.000 0.000 0.994 98 T CB 1.654 70.517 68.868 -0.008 0.000 1.025 98 T HN 0.299 nan 8.240 nan 0.000 0.529 99 A N -0.106 122.716 122.820 0.003 0.000 1.902 99 A HA -0.090 4.261 4.320 0.051 0.000 0.217 99 A C 2.305 179.891 177.584 0.003 0.000 1.181 99 A CA 1.882 53.922 52.037 0.003 0.000 0.623 99 A CB -1.152 17.849 19.000 0.002 0.000 0.818 99 A HN 1.036 nan 8.150 nan 0.000 0.443 100 E N -0.548 119.652 120.200 0.000 0.000 2.051 100 E HA -0.272 4.109 4.350 0.051 0.000 0.192 100 E C 2.266 178.869 176.600 0.005 0.000 0.991 100 E CA 1.464 57.864 56.400 -0.001 0.000 0.799 100 E CB -0.100 29.599 29.700 -0.003 0.000 0.748 100 E HN 0.474 nan 8.360 nan 0.000 0.449 101 R N 0.213 120.717 120.500 0.007 0.000 2.073 101 R HA -0.087 4.284 4.340 0.051 0.000 0.234 101 R C 2.251 178.567 176.300 0.027 0.000 1.134 101 R CA 2.319 58.430 56.100 0.018 0.000 0.952 101 R CB -0.862 29.447 30.300 0.014 0.000 0.850 101 R HN 0.121 nan 8.270 nan 0.000 0.433 102 T N 0.434 115.001 114.554 0.021 0.000 2.652 102 T HA -0.174 4.207 4.350 0.051 0.000 0.267 102 T C 1.797 176.509 174.700 0.021 0.000 1.039 102 T CA 1.689 63.803 62.100 0.024 0.000 1.153 102 T CB -0.627 68.252 68.868 0.018 0.000 0.863 102 T HN 0.463 nan 8.240 nan 0.000 0.428 103 A N 1.221 124.048 122.820 0.012 0.000 1.883 103 A HA -0.036 4.315 4.320 0.051 0.000 0.217 103 A C 2.349 179.937 177.584 0.007 0.000 1.186 103 A CA 1.376 53.416 52.037 0.004 0.000 0.624 103 A CB -0.907 18.090 19.000 -0.005 0.000 0.822 103 A HN 0.487 nan 8.150 nan 0.000 0.444 104 L N -0.926 120.304 121.223 0.013 0.000 2.056 104 L HA -0.193 4.178 4.340 0.051 0.000 0.207 104 L C 2.641 179.538 176.870 0.045 0.000 1.078 104 L CA 1.628 56.481 54.840 0.021 0.000 0.749 104 L CB -0.707 41.368 42.059 0.027 0.000 0.901 104 L HN 0.481 nan 8.230 nan 0.000 0.433 105 E N 0.301 120.534 120.200 0.056 0.000 2.077 105 E HA -0.203 4.178 4.350 0.051 0.000 0.193 105 E C 1.903 178.539 176.600 0.061 0.000 0.989 105 E CA 1.370 57.815 56.400 0.075 0.000 0.800 105 E CB -0.179 29.568 29.700 0.078 0.000 0.746 105 E HN 0.592 nan 8.360 nan 0.000 0.452 106 N N 0.603 119.327 118.700 0.041 0.000 2.084 106 N HA -0.143 4.628 4.740 0.051 0.000 0.190 106 N C 2.011 177.534 175.510 0.021 0.000 1.030 106 N CA 0.787 53.854 53.050 0.029 0.000 0.849 106 N CB -0.134 38.364 38.487 0.018 0.000 1.012 106 N HN 0.063 nan 8.380 nan 0.000 0.423 107 A N 1.196 124.025 122.820 0.014 0.000 1.877 107 A HA -0.067 4.284 4.320 0.051 0.000 0.216 107 A C 2.376 179.970 177.584 0.016 0.000 1.186 107 A CA 1.933 53.973 52.037 0.004 0.000 0.620 107 A CB -1.314 17.680 19.000 -0.010 0.000 0.822 107 A HN 0.405 nan 8.150 nan 0.000 0.443 108 G N -1.278 107.544 108.800 0.037 0.000 2.418 108 G HA2 -0.145 3.846 3.960 0.051 0.000 0.217 108 G HA3 -0.145 3.846 3.960 0.051 0.000 0.217 108 G C 1.560 176.502 174.900 0.070 0.000 1.158 108 G CA 1.644 46.781 45.100 0.062 0.000 0.771 108 G HN 0.438 nan 8.290 nan 0.000 0.545 109 T N 1.604 116.198 114.554 0.067 0.000 2.821 109 T HA 0.052 4.433 4.350 0.051 0.000 0.267 109 T C 2.795 177.504 174.700 0.017 0.000 1.046 109 T CA 1.350 63.483 62.100 0.055 0.000 1.139 109 T CB -0.300 68.601 68.868 0.055 0.000 0.871 109 T HN 0.368 nan 8.240 nan 0.000 0.454 110 A N 1.480 124.305 122.820 0.009 0.000 1.933 110 A HA -0.022 4.328 4.320 0.051 0.000 0.218 110 A C 2.259 179.834 177.584 -0.015 0.000 1.175 110 A CA 1.357 53.388 52.037 -0.009 0.000 0.628 110 A CB -0.664 18.329 19.000 -0.012 0.000 0.814 110 A HN 0.479 nan 8.150 nan 0.000 0.444 111 M N -0.548 119.050 119.600 -0.004 0.000 2.460 111 M HA 0.006 4.517 4.480 0.051 0.000 0.263 111 M C 1.713 178.006 176.300 -0.012 0.000 1.071 111 M CA 0.747 56.039 55.300 -0.013 0.000 1.096 111 M CB -0.398 32.199 32.600 -0.004 0.000 1.408 111 M HN 0.343 nan 8.290 nan 0.000 0.463 112 L N -0.803 120.426 121.223 0.010 0.000 2.191 112 L HA -0.228 4.142 4.340 0.051 0.000 0.212 112 L C 2.334 179.219 176.870 0.025 0.000 1.103 112 L CA 0.720 55.578 54.840 0.029 0.000 0.769 112 L CB -0.705 41.355 42.059 0.002 0.000 0.908 112 L HN 0.430 nan 8.230 nan 0.000 0.438 113 C N -0.265 119.028 119.300 -0.011 0.000 2.437 113 C HA -0.117 4.373 4.460 0.051 0.000 0.283 113 C C 1.944 176.908 174.990 -0.042 0.000 1.424 113 C CA 0.716 59.724 59.018 -0.017 0.000 1.782 113 C CB -0.902 26.806 27.740 -0.054 0.000 1.833 113 C HN 0.363 nan 8.230 nan 0.000 0.532 114 K N -0.053 120.309 120.400 -0.063 0.000 2.758 114 K HA 0.131 4.481 4.320 0.051 0.000 0.208 114 K C -0.390 176.264 176.600 0.091 0.000 1.091 114 K CA 0.081 56.282 56.287 -0.144 0.000 1.059 114 K CB 0.713 33.102 32.500 -0.185 0.000 0.801 114 K HN 0.271 nan 8.250 nan 0.000 0.470 115 T N 0.791 115.378 114.554 0.054 0.000 2.797 115 T HA 0.294 4.675 4.350 0.051 0.000 0.279 115 T C -0.201 174.135 174.700 -0.608 0.000 0.991 115 T CA -0.520 61.395 62.100 -0.307 0.000 0.979 115 T CB 2.199 70.750 68.868 -0.529 0.000 0.943 115 T HN -0.193 nan 8.240 nan 0.000 0.444 116 V N 4.169 123.606 119.914 -0.795 0.000 2.465 116 V HA 0.464 4.614 4.120 0.051 0.000 0.279 116 V C -0.616 174.809 176.094 -1.116 0.000 1.045 116 V CA -0.541 61.126 62.300 -1.055 0.000 0.938 116 V CB 0.403 31.393 31.823 -1.388 0.000 0.986 116 V HN 0.734 nan 8.190 nan 0.000 0.467 117 F N 3.379 122.907 119.950 -0.703 0.000 2.443 117 F HA 0.682 5.240 4.527 0.052 0.000 0.335 117 F C 0.023 175.199 175.800 -1.039 0.000 1.104 117 F CA -0.774 56.737 58.000 -0.816 0.000 1.013 117 F CB 1.892 40.388 39.000 -0.840 0.000 1.136 117 F HN 0.136 nan 8.300 nan 0.000 0.470 118 V N 4.439 123.901 119.914 -0.754 0.000 2.531 118 V HA 0.417 4.568 4.120 0.051 0.000 0.301 118 V C -1.084 174.775 176.094 -0.393 0.000 1.034 118 V CA -0.720 61.191 62.300 -0.648 0.000 0.865 118 V CB 1.900 33.179 31.823 -0.906 0.000 0.995 118 V HN 0.545 nan 8.190 nan 0.000 0.424 119 L N 7.396 128.496 121.223 -0.205 0.000 2.305 119 L HA 0.727 5.098 4.340 0.051 0.000 0.284 119 L C -0.186 176.726 176.870 0.070 0.000 1.013 119 L CA -0.267 54.557 54.840 -0.028 0.000 0.819 119 L CB 1.783 43.941 42.059 0.163 0.000 1.227 119 L HN 0.583 nan 8.230 nan 0.000 0.417 120 V N 3.244 123.199 119.914 0.068 0.000 2.385 120 V HA 0.877 5.028 4.120 0.051 0.000 0.269 120 V C 0.481 176.636 176.094 0.102 0.000 1.043 120 V CA 0.244 62.606 62.300 0.104 0.000 0.906 120 V CB 0.554 32.444 31.823 0.113 0.000 0.995 120 V HN 1.021 nan 8.190 nan 0.000 0.467 121 A N 3.462 126.357 122.820 0.125 0.000 2.843 121 A HA 0.694 5.045 4.320 0.051 0.000 0.248 121 A C 1.126 178.783 177.584 0.122 0.000 0.904 121 A CA 0.249 52.360 52.037 0.123 0.000 1.091 121 A CB 0.213 19.301 19.000 0.146 0.000 1.208 121 A HN 1.192 nan 8.150 nan 0.000 0.476 122 G N -0.398 108.475 108.800 0.121 0.000 2.986 122 G HA2 0.412 4.403 3.960 0.051 0.000 0.213 122 G HA3 0.412 4.403 3.960 0.051 0.000 0.213 122 G C 0.715 175.674 174.900 0.098 0.000 1.156 122 G CA 0.617 45.784 45.100 0.112 0.000 0.763 122 G HN 0.807 nan 8.290 nan 0.000 0.547 123 G N -0.480 108.380 108.800 0.101 0.000 2.476 123 G HA2 0.460 4.451 3.960 0.051 0.000 0.286 123 G HA3 0.460 4.451 3.960 0.051 0.000 0.286 123 G C 0.560 175.505 174.900 0.075 0.000 1.177 123 G CA -0.616 44.539 45.100 0.092 0.000 0.870 123 G HN 0.094 nan 8.290 nan 0.000 0.528 124 L N 1.109 122.372 121.223 0.066 0.000 2.298 124 L HA 0.193 4.563 4.340 0.051 0.000 0.209 124 L C 1.928 178.833 176.870 0.060 0.000 1.084 124 L CA 0.672 55.545 54.840 0.056 0.000 0.816 124 L CB -0.193 41.892 42.059 0.043 0.000 0.967 124 L HN 0.863 nan 8.230 nan 0.000 0.460 125 G N 1.752 110.589 108.800 0.062 0.000 2.352 125 G HA2 -0.258 3.733 3.960 0.051 0.000 0.283 125 G HA3 -0.258 3.733 3.960 0.051 0.000 0.283 125 G C 0.613 175.548 174.900 0.058 0.000 0.946 125 G CA 0.227 45.362 45.100 0.059 0.000 1.317 125 G HN 0.418 nan 8.290 nan 0.000 0.478 126 E N 0.138 120.370 120.200 0.053 0.000 2.455 126 E HA -0.144 4.237 4.350 0.051 0.000 0.202 126 E C 2.415 179.044 176.600 0.049 0.000 1.045 126 E CA 0.825 57.252 56.400 0.046 0.000 0.872 126 E CB -0.040 29.683 29.700 0.040 0.000 0.792 126 E HN 0.819 nan 8.360 nan 0.000 0.542 127 R N -0.066 120.467 120.500 0.054 0.000 2.115 127 R HA -0.024 4.346 4.340 0.051 0.000 0.226 127 R C 2.121 178.453 176.300 0.054 0.000 1.100 127 R CA 0.391 56.523 56.100 0.053 0.000 0.980 127 R CB -0.259 30.073 30.300 0.054 0.000 0.875 127 R HN 0.083 nan 8.270 nan 0.000 0.445 128 L N -0.027 121.235 121.223 0.064 0.000 2.072 128 L HA 0.051 4.421 4.340 0.051 0.000 0.205 128 L C 1.403 178.316 176.870 0.072 0.000 1.079 128 L CA 2.285 57.166 54.840 0.068 0.000 0.752 128 L CB -0.681 41.430 42.059 0.087 0.000 0.906 128 L HN 0.558 nan 8.230 nan 0.000 0.436 129 G N -2.599 106.251 108.800 0.083 0.000 2.138 129 G HA2 -0.309 3.682 3.960 0.051 0.000 0.193 129 G HA3 -0.309 3.682 3.960 0.051 0.000 0.193 129 G C 0.071 175.054 174.900 0.139 0.000 0.998 129 G CA 0.007 45.153 45.100 0.078 0.000 0.668 129 G HN 0.307 nan 8.290 nan 0.000 0.516 130 Y N 1.470 121.762 120.300 -0.012 0.000 2.331 130 Y HA 0.486 5.068 4.550 0.053 0.000 0.334 130 Y C 1.250 177.145 175.900 -0.008 0.000 0.960 130 Y CA -0.149 57.942 58.100 -0.015 0.000 1.130 130 Y CB 1.771 40.219 38.460 -0.020 0.000 1.164 130 Y HN 0.320 nan 8.280 nan 0.000 0.458 131 S N 1.651 117.115 115.700 -0.392 0.000 2.575 131 S HA 0.124 4.625 4.470 0.051 0.000 0.215 131 S C 0.579 174.926 174.600 -0.422 0.000 0.966 131 S CA -0.028 57.990 58.200 -0.302 0.000 0.911 131 S CB 0.234 63.322 63.200 -0.187 0.000 0.780 131 S HN 0.418 nan 8.310 nan 0.000 0.514 132 S N 1.012 116.195 115.700 -0.861 0.000 2.748 132 S HA 0.706 5.207 4.470 0.051 0.000 0.299 132 S C 0.075 174.525 174.600 -0.251 0.000 1.119 132 S CA -1.136 56.734 58.200 -0.549 0.000 0.997 132 S CB 0.496 63.388 63.200 -0.514 0.000 1.223 132 S HN 0.518 nan 8.310 nan 0.000 0.541 133 I N 0.760 121.319 120.570 -0.019 0.000 2.638 133 I HA 0.390 4.591 4.170 0.051 0.000 0.286 133 I C 1.102 177.362 176.117 0.238 0.000 1.088 133 I CA -0.561 60.798 61.300 0.099 0.000 1.397 133 I CB 0.601 38.646 38.000 0.075 0.000 1.414 133 I HN 0.511 nan 8.210 nan 0.000 0.566 134 K N 3.601 124.105 120.400 0.173 0.000 2.152 134 K HA -0.104 4.247 4.320 0.051 0.000 0.206 134 K C 1.832 178.482 176.600 0.083 0.000 1.048 134 K CA 1.711 58.069 56.287 0.118 0.000 0.933 134 K CB -0.323 32.191 32.500 0.024 0.000 0.721 134 K HN 0.855 nan 8.250 nan 0.000 0.447 135 V N -0.474 119.511 119.914 0.119 0.000 3.380 135 V HA -0.044 4.107 4.120 0.051 0.000 0.268 135 V C 1.869 178.054 176.094 0.152 0.000 1.168 135 V CA 1.592 63.986 62.300 0.156 0.000 1.156 135 V CB -0.499 31.435 31.823 0.184 0.000 0.785 135 V HN 0.205 nan 8.190 nan 0.000 0.487 136 S N -0.321 115.476 115.700 0.161 0.000 2.548 136 S HA 0.305 4.805 4.470 0.051 0.000 0.215 136 S C 0.639 175.307 174.600 0.113 0.000 0.976 136 S CA -0.251 58.036 58.200 0.145 0.000 0.908 136 S CB -0.662 62.646 63.200 0.181 0.000 0.781 136 S HN 0.566 nan 8.310 nan 0.000 0.519 137 L N 3.308 124.573 121.223 0.070 0.000 2.456 137 L HA 0.321 4.692 4.340 0.051 0.000 0.272 137 L C -2.109 174.721 176.870 -0.067 0.000 1.189 137 L CA -2.007 52.763 54.840 -0.117 0.000 0.846 137 L CB 0.346 42.324 42.059 -0.136 0.000 1.111 137 L HN 0.109 nan 8.230 nan 0.000 0.475 138 P HA 0.037 nan 4.420 nan 0.000 0.275 138 P C 0.690 177.686 177.300 -0.507 0.000 1.227 138 P CA -0.327 62.589 63.100 -0.307 0.000 0.781 138 P CB 1.418 32.976 31.700 -0.236 0.000 0.906 139 V N 1.506 120.879 119.914 -0.902 0.000 2.515 139 V HA -0.165 3.986 4.120 0.051 0.000 0.250 139 V C 0.890 176.456 176.094 -0.880 0.000 1.058 139 V CA 2.010 63.544 62.300 -1.277 0.000 1.064 139 V CB -1.271 29.511 31.823 -1.736 0.000 0.675 139 V HN 0.732 nan 8.190 nan 0.000 0.461 140 E N -2.209 117.589 120.200 -0.670 0.000 2.390 140 E HA 0.311 4.691 4.350 0.051 0.000 0.280 140 E C 0.009 176.507 176.600 -0.171 0.000 0.992 140 E CA 0.021 56.164 56.400 -0.428 0.000 0.790 140 E CB 0.817 30.188 29.700 -0.549 0.000 1.248 140 E HN 0.046 nan 8.360 nan 0.000 0.447 141 T N -1.848 112.708 114.554 0.003 0.000 3.107 141 T HA 0.307 4.687 4.350 0.051 0.000 0.249 141 T C 1.457 176.223 174.700 0.110 0.000 1.096 141 T CA 0.419 62.537 62.100 0.029 0.000 1.012 141 T CB -0.041 68.841 68.868 0.024 0.000 0.977 141 T HN 0.547 nan 8.240 nan 0.000 0.527 142 A N 2.564 125.549 122.820 0.275 0.000 1.883 142 A HA -0.048 4.303 4.320 0.051 0.000 0.217 142 A C 2.621 180.379 177.584 0.290 0.000 1.186 142 A CA 2.196 54.479 52.037 0.410 0.000 0.624 142 A CB -1.167 18.126 19.000 0.489 0.000 0.822 142 A HN 0.701 nan 8.150 nan 0.000 0.444 143 T N -5.727 108.926 114.554 0.165 0.000 2.985 143 T HA 0.124 4.504 4.350 0.051 0.000 0.254 143 T C 0.631 175.337 174.700 0.010 0.000 1.021 143 T CA 0.615 62.772 62.100 0.094 0.000 0.957 143 T CB -0.109 68.802 68.868 0.072 0.000 1.047 143 T HN 0.419 nan 8.240 nan 0.000 0.511 144 N N 1.292 119.969 118.700 -0.039 0.000 2.708 144 N HA -0.123 4.647 4.740 0.051 0.000 0.251 144 N C -0.648 174.787 175.510 -0.125 0.000 1.123 144 N CA 1.244 54.239 53.050 -0.091 0.000 0.739 144 N CB -2.132 36.322 38.487 -0.056 0.000 1.113 144 N HN 0.549 nan 8.380 nan 0.000 0.561 145 T N 1.581 116.044 114.554 -0.152 0.000 2.831 145 T HA 0.138 4.519 4.350 0.051 0.000 0.291 145 T C 1.238 175.776 174.700 -0.270 0.000 0.981 145 T CA 0.521 62.520 62.100 -0.168 0.000 1.174 145 T CB 0.485 69.263 68.868 -0.151 0.000 0.929 145 T HN 0.332 nan 8.240 nan 0.000 0.532 146 T N 1.914 116.356 114.554 -0.187 0.000 2.856 146 T HA 0.131 4.512 4.350 0.051 0.000 0.306 146 T C 1.033 175.566 174.700 -0.278 0.000 1.062 146 T CA -0.536 61.453 62.100 -0.185 0.000 1.083 146 T CB 0.347 69.180 68.868 -0.058 0.000 0.984 146 T HN 0.504 nan 8.240 nan 0.000 0.542 147 Y N 0.591 120.729 120.300 -0.270 0.000 2.151 147 Y HA -0.087 4.492 4.550 0.049 0.000 0.284 147 Y C 2.344 178.039 175.900 -0.341 0.000 1.166 147 Y CA 1.475 59.323 58.100 -0.421 0.000 1.163 147 Y CB -0.555 37.708 38.460 -0.329 0.000 0.974 147 Y HN 0.540 nan 8.280 nan 0.000 0.511 148 L N 0.125 121.375 121.223 0.044 0.000 1.989 148 L HA -0.200 4.171 4.340 0.051 0.000 0.211 148 L C 2.409 179.286 176.870 0.012 0.000 1.071 148 L CA 2.141 57.039 54.840 0.096 0.000 0.749 148 L CB -1.209 40.896 42.059 0.076 0.000 0.890 148 L HN 0.148 nan 8.230 nan 0.000 0.431 149 A N -1.657 121.142 122.820 -0.035 0.000 1.933 149 A HA -0.288 4.063 4.320 0.051 0.000 0.218 149 A C 2.301 179.863 177.584 -0.036 0.000 1.175 149 A CA 1.818 53.826 52.037 -0.048 0.000 0.628 149 A CB -1.201 17.770 19.000 -0.048 0.000 0.814 149 A HN 0.659 nan 8.150 nan 0.000 0.444 150 Y N -0.548 119.615 120.300 -0.228 0.000 2.114 150 Y HA -0.285 4.297 4.550 0.054 0.000 0.284 150 Y C 2.213 178.066 175.900 -0.079 0.000 1.143 150 Y CA 2.108 60.062 58.100 -0.243 0.000 1.135 150 Y CB -0.568 37.589 38.460 -0.506 0.000 0.980 150 Y HN 0.377 nan 8.280 nan 0.000 0.499 151 Y N -0.063 120.302 120.300 0.108 0.000 2.145 151 Y HA -0.241 4.340 4.550 0.052 0.000 0.286 151 Y C 2.505 178.398 175.900 -0.013 0.000 1.145 151 Y CA 1.484 59.633 58.100 0.081 0.000 1.148 151 Y CB -1.160 37.455 38.460 0.257 0.000 0.981 151 Y HN 0.156 nan 8.280 nan 0.000 0.507 152 L N -0.654 120.555 121.223 -0.023 0.000 2.056 152 L HA -0.181 4.190 4.340 0.051 0.000 0.207 152 L C 2.580 179.353 176.870 -0.162 0.000 1.078 152 L CA 1.233 55.893 54.840 -0.301 0.000 0.749 152 L CB -0.409 41.433 42.059 -0.361 0.000 0.901 152 L HN 0.117 nan 8.230 nan 0.000 0.433 153 R N -1.188 119.256 120.500 -0.093 0.000 2.092 153 R HA -0.211 4.159 4.340 0.051 0.000 0.231 153 R C 2.072 178.342 176.300 -0.049 0.000 1.119 153 R CA 1.700 57.757 56.100 -0.072 0.000 0.970 153 R CB -0.460 29.809 30.300 -0.052 0.000 0.864 153 R HN 0.409 nan 8.270 nan 0.000 0.440 154 W N 1.485 122.641 121.300 -0.241 0.000 2.358 154 W HA -0.145 4.547 4.660 0.053 0.000 0.303 154 W C 2.225 178.609 176.519 -0.225 0.000 1.208 154 W CA 1.769 58.966 57.345 -0.247 0.000 1.274 154 W CB -0.290 28.967 29.460 -0.339 0.000 1.138 154 W HN 0.075 nan 8.180 nan 0.000 0.515 155 A N -0.037 122.660 122.820 -0.204 0.000 1.902 155 A HA -0.257 4.093 4.320 0.051 0.000 0.217 155 A C 1.898 179.299 177.584 -0.305 0.000 1.181 155 A CA 1.911 53.655 52.037 -0.488 0.000 0.623 155 A CB -0.852 17.980 19.000 -0.280 0.000 0.818 155 A HN 0.533 nan 8.150 nan 0.000 0.443 156 Q N -1.321 118.365 119.800 -0.190 0.000 2.230 156 Q HA -0.156 4.215 4.340 0.051 0.000 0.202 156 Q C 2.260 178.170 176.000 -0.150 0.000 0.963 156 Q CA 1.304 57.031 55.803 -0.126 0.000 0.866 156 Q CB -0.099 28.581 28.738 -0.097 0.000 0.931 156 Q HN 0.585 nan 8.270 nan 0.000 0.452 157 R N 0.985 121.357 120.500 -0.213 0.000 2.066 157 R HA -0.116 4.255 4.340 0.051 0.000 0.232 157 R C 1.988 178.130 176.300 -0.264 0.000 1.131 157 R CA 1.883 57.856 56.100 -0.210 0.000 0.955 157 R CB -0.651 29.529 30.300 -0.199 0.000 0.851 157 R HN 0.240 nan 8.270 nan 0.000 0.432 158 V N -2.696 116.949 119.914 -0.448 0.000 3.052 158 V HA 0.352 4.503 4.120 0.051 0.000 0.254 158 V C 1.571 177.550 176.094 -0.191 0.000 1.100 158 V CA 1.382 63.445 62.300 -0.396 0.000 1.112 158 V CB 0.085 31.489 31.823 -0.699 0.000 0.738 158 V HN 0.319 nan 8.190 nan 0.000 0.469 159 G N -0.819 107.903 108.800 -0.131 0.000 3.228 159 G HA2 0.535 4.525 3.960 0.051 0.000 0.245 159 G HA3 0.535 4.525 3.960 0.051 0.000 0.245 159 G C 0.794 175.710 174.900 0.027 0.000 1.051 159 G CA 0.399 45.512 45.100 0.022 0.000 0.809 159 G HN 1.449 nan 8.290 nan 0.000 0.531 160 G N 0.296 109.079 108.800 -0.028 0.000 2.781 160 G HA2 -0.226 3.764 3.960 0.051 0.000 0.683 160 G HA3 -0.226 3.764 3.960 0.051 0.000 0.683 160 G C 0.543 175.440 174.900 -0.005 0.000 1.390 160 G CA 0.177 45.270 45.100 -0.012 0.000 0.850 160 G HN 0.384 nan 8.290 nan 0.000 0.557 161 K N 0.328 120.724 120.400 -0.007 0.000 2.152 161 K HA -0.147 4.203 4.320 0.051 0.000 0.206 161 K C 2.105 178.712 176.600 0.010 0.000 1.048 161 K CA 2.090 58.371 56.287 -0.010 0.000 0.933 161 K CB -0.057 32.437 32.500 -0.010 0.000 0.721 161 K HN 0.617 nan 8.250 nan 0.000 0.447 162 E N 1.175 121.397 120.200 0.037 0.000 2.403 162 E HA -0.029 4.352 4.350 0.051 0.000 0.187 162 E C 0.129 176.784 176.600 0.091 0.000 1.073 162 E CA -0.110 56.328 56.400 0.063 0.000 0.888 162 E CB -0.564 29.185 29.700 0.080 0.000 1.035 162 E HN 0.082 nan 8.360 nan 0.000 0.471 163 V N 2.858 122.825 119.914 0.088 0.000 2.694 163 V HA 0.033 4.184 4.120 0.051 0.000 0.306 163 V C -2.340 173.804 176.094 0.083 0.000 1.054 163 V CA -1.071 61.298 62.300 0.115 0.000 1.161 163 V CB 0.552 32.469 31.823 0.157 0.000 0.916 163 V HN 0.112 nan 8.190 nan 0.000 0.490 164 P HA 0.324 nan 4.420 nan 0.000 0.282 164 P C -1.296 176.002 177.300 -0.004 0.000 1.262 164 P CA 0.168 63.195 63.100 -0.122 0.000 0.773 164 P CB 0.296 31.574 31.700 -0.704 0.000 0.879 165 F N 3.621 123.585 119.950 0.024 0.000 2.573 165 F HA 0.402 4.959 4.527 0.051 0.000 0.316 165 F C -1.274 174.597 175.800 0.117 0.000 1.148 165 F CA -0.804 57.224 58.000 0.046 0.000 0.940 165 F CB 1.559 40.587 39.000 0.047 0.000 1.214 165 F HN -0.030 nan 8.300 nan 0.000 0.448 166 V N 6.839 126.808 119.914 0.092 0.000 2.459 166 V HA 0.505 4.655 4.120 0.051 0.000 0.295 166 V C -0.159 176.069 176.094 0.224 0.000 1.029 166 V CA -0.670 61.758 62.300 0.215 0.000 0.874 166 V CB 1.847 33.750 31.823 0.133 0.000 0.985 166 V HN 0.544 nan 8.190 nan 0.000 0.438 167 I N 4.977 125.725 120.570 0.297 0.000 2.406 167 I HA 0.451 4.652 4.170 0.051 0.000 0.290 167 I C -0.133 176.104 176.117 0.200 0.000 0.999 167 I CA -0.360 61.094 61.300 0.258 0.000 1.124 167 I CB 1.748 39.910 38.000 0.269 0.000 1.289 167 I HN 0.555 nan 8.210 nan 0.000 0.441 168 M N 7.142 126.843 119.600 0.168 0.000 2.108 168 M HA 0.314 4.825 4.480 0.051 0.000 0.354 168 M C 0.011 176.407 176.300 0.161 0.000 1.229 168 M CA -0.075 55.318 55.300 0.155 0.000 1.081 168 M CB 0.754 33.437 32.600 0.138 0.000 1.606 168 M HN 0.775 nan 8.290 nan 0.000 0.467 169 T N 1.444 116.105 114.554 0.177 0.000 2.922 169 T HA 0.849 5.229 4.350 0.051 0.000 0.281 169 T C -0.071 174.711 174.700 0.137 0.000 1.005 169 T CA -0.571 61.643 62.100 0.189 0.000 0.982 169 T CB 1.587 70.648 68.868 0.322 0.000 1.158 169 T HN 0.735 nan 8.240 nan 0.000 0.566 170 S N -1.045 114.732 115.700 0.127 0.000 2.732 170 S HA 0.448 4.949 4.470 0.051 0.000 0.293 170 S C 0.033 174.682 174.600 0.082 0.000 1.159 170 S CA -0.710 57.536 58.200 0.076 0.000 0.847 170 S CB 1.207 64.446 63.200 0.066 0.000 1.169 170 S HN 0.550 nan 8.310 nan 0.000 0.501 171 D N 0.920 121.343 120.400 0.038 0.000 2.221 171 D HA -0.050 4.620 4.640 0.051 0.000 0.204 171 D C 1.016 177.350 176.300 0.056 0.000 0.982 171 D CA 1.243 55.266 54.000 0.040 0.000 0.857 171 D CB -0.240 40.564 40.800 0.007 0.000 0.934 171 D HN 0.537 nan 8.370 nan 0.000 0.475 172 D N -0.915 119.516 120.400 0.051 0.000 2.224 172 D HA -0.062 4.609 4.640 0.051 0.000 0.205 172 D C 1.880 178.215 176.300 0.059 0.000 0.965 172 D CA 1.424 55.452 54.000 0.046 0.000 0.852 172 D CB 0.135 40.958 40.800 0.039 0.000 0.947 172 D HN 0.374 nan 8.370 nan 0.000 0.494 173 T N -3.433 111.174 114.554 0.088 0.000 2.975 173 T HA 0.027 4.408 4.350 0.051 0.000 0.261 173 T C 1.531 176.294 174.700 0.104 0.000 0.984 173 T CA -0.148 62.005 62.100 0.087 0.000 0.911 173 T CB 0.189 69.113 68.868 0.093 0.000 1.127 173 T HN -0.025 nan 8.240 nan 0.000 0.514 174 H N 2.384 121.477 119.070 0.037 0.000 2.270 174 H HA -0.034 4.552 4.556 0.051 0.000 0.299 174 H C 1.747 177.094 175.328 0.033 0.000 1.077 174 H CA 2.335 58.407 56.048 0.039 0.000 1.294 174 H CB -0.389 29.394 29.762 0.036 0.000 1.371 174 H HN 0.209 nan 8.280 nan 0.000 0.491 175 D N -0.048 120.346 120.400 -0.010 0.000 2.117 175 D HA -0.119 4.552 4.640 0.051 0.000 0.197 175 D C 2.348 178.603 176.300 -0.074 0.000 0.987 175 D CA 1.067 55.024 54.000 -0.072 0.000 0.829 175 D CB -0.175 40.634 40.800 0.015 0.000 0.961 175 D HN 0.401 nan 8.370 nan 0.000 0.460 176 R N -0.008 120.473 120.500 -0.033 0.000 2.148 176 R HA -0.027 4.344 4.340 0.051 0.000 0.227 176 R C 2.254 178.536 176.300 -0.030 0.000 1.103 176 R CA 1.021 57.106 56.100 -0.025 0.000 0.983 176 R CB -0.139 30.154 30.300 -0.011 0.000 0.874 176 R HN 0.107 nan 8.270 nan 0.000 0.451 177 T N 1.365 115.893 114.554 -0.043 0.000 2.777 177 T HA -0.036 4.344 4.350 0.051 0.000 0.266 177 T C 1.836 176.492 174.700 -0.074 0.000 1.040 177 T CA 0.877 62.956 62.100 -0.035 0.000 1.141 177 T CB -0.058 68.803 68.868 -0.012 0.000 0.868 177 T HN 0.117 nan 8.240 nan 0.000 0.444 178 L N 0.901 122.031 121.223 -0.153 0.000 2.046 178 L HA -0.151 4.220 4.340 0.051 0.000 0.208 178 L C 2.948 179.773 176.870 -0.075 0.000 1.077 178 L CA 1.431 56.190 54.840 -0.134 0.000 0.747 178 L CB -0.676 41.265 42.059 -0.197 0.000 0.896 178 L HN 0.324 nan 8.230 nan 0.000 0.432 179 Q N 0.237 119.998 119.800 -0.064 0.000 2.077 179 Q HA -0.288 4.083 4.340 0.051 0.000 0.206 179 Q C 2.325 178.308 176.000 -0.028 0.000 0.989 179 Q CA 2.025 57.805 55.803 -0.038 0.000 0.853 179 Q CB -0.162 28.558 28.738 -0.030 0.000 0.907 179 Q HN 0.352 nan 8.270 nan 0.000 0.418 180 L N 0.553 121.762 121.223 -0.023 0.000 2.046 180 L HA -0.153 4.217 4.340 0.051 0.000 0.208 180 L C 2.125 178.983 176.870 -0.020 0.000 1.077 180 L CA 1.444 56.277 54.840 -0.012 0.000 0.747 180 L CB -0.470 41.591 42.059 0.005 0.000 0.896 180 L HN 0.296 nan 8.230 nan 0.000 0.432 181 L N -0.803 120.403 121.223 -0.029 0.000 2.012 181 L HA -0.254 4.117 4.340 0.051 0.000 0.210 181 L C 2.822 179.672 176.870 -0.034 0.000 1.073 181 L CA 1.745 56.563 54.840 -0.036 0.000 0.748 181 L CB -0.576 41.458 42.059 -0.042 0.000 0.891 181 L HN 0.305 nan 8.230 nan 0.000 0.431 182 R N 0.380 120.861 120.500 -0.032 0.000 2.070 182 R HA -0.192 4.178 4.340 0.051 0.000 0.233 182 R C 2.154 178.440 176.300 -0.022 0.000 1.137 182 R CA 1.805 57.889 56.100 -0.027 0.000 0.945 182 R CB -0.143 30.142 30.300 -0.025 0.000 0.845 182 R HN 0.388 nan 8.270 nan 0.000 0.430 183 E N 0.286 120.474 120.200 -0.020 0.000 2.110 183 E HA -0.165 4.215 4.350 0.051 0.000 0.193 183 E C 1.832 178.422 176.600 -0.016 0.000 0.988 183 E CA 1.142 57.532 56.400 -0.016 0.000 0.804 183 E CB -0.001 29.692 29.700 -0.012 0.000 0.745 183 E HN 0.383 nan 8.360 nan 0.000 0.458 184 L N 0.254 121.464 121.223 -0.020 0.000 2.554 184 L HA -0.007 4.363 4.340 0.051 0.000 0.226 184 L C 0.317 177.172 176.870 -0.026 0.000 1.137 184 L CA 0.255 55.081 54.840 -0.023 0.000 0.863 184 L CB -0.182 41.860 42.059 -0.028 0.000 0.985 184 L HN 0.157 nan 8.230 nan 0.000 0.451 185 Q N 0.000 119.785 119.800 -0.025 0.000 2.481 185 Q HA -0.203 4.167 4.340 0.051 0.000 0.272 185 Q C -0.215 175.766 176.000 -0.033 0.000 1.157 185 Q CA 0.351 56.139 55.803 -0.025 0.000 0.935 185 Q CB -1.943 26.783 28.738 -0.019 0.000 1.338 185 Q HN 0.462 nan 8.270 nan 0.000 0.494 186 L N 1.747 122.945 121.223 -0.042 0.000 2.433 186 L HA 0.057 4.428 4.340 0.051 0.000 0.275 186 L C 0.721 177.558 176.870 -0.056 0.000 1.128 186 L CA 0.359 55.165 54.840 -0.056 0.000 0.875 186 L CB 0.381 42.396 42.059 -0.073 0.000 1.171 186 L HN 0.026 nan 8.230 nan 0.000 0.463 187 E N 4.675 124.843 120.200 -0.053 0.000 2.103 187 E HA 0.250 4.631 4.350 0.051 0.000 0.254 187 E C -0.900 175.668 176.600 -0.053 0.000 0.940 187 E CA -0.248 56.124 56.400 -0.046 0.000 0.771 187 E CB 1.551 31.231 29.700 -0.034 0.000 1.153 187 E HN 0.200 nan 8.360 nan 0.000 0.428 188 V N 4.728 124.605 119.914 -0.062 0.000 2.289 188 V HA 0.157 4.307 4.120 0.051 0.000 0.272 188 V C -1.675 174.388 176.094 -0.052 0.000 1.026 188 V CA -1.415 60.845 62.300 -0.066 0.000 0.807 188 V CB 1.321 33.080 31.823 -0.108 0.000 1.044 188 V HN 0.300 nan 8.190 nan 0.000 0.443 189 P HA -0.077 nan 4.420 nan 0.000 0.216 189 P C 0.637 177.909 177.300 -0.047 0.000 1.150 189 P CA 1.302 64.385 63.100 -0.029 0.000 0.837 189 P CB 0.113 31.811 31.700 -0.002 0.000 0.786 190 N N -0.967 117.721 118.700 -0.020 0.000 2.380 190 N HA 0.159 4.930 4.740 0.051 0.000 0.255 190 N C -0.419 175.059 175.510 -0.054 0.000 1.158 190 N CA -0.414 52.625 53.050 -0.018 0.000 0.878 190 N CB -0.098 38.462 38.487 0.121 0.000 1.138 190 N HN 0.021 nan 8.380 nan 0.000 0.509 191 L N 1.600 122.752 121.223 -0.118 0.000 2.380 191 L HA 0.193 4.564 4.340 0.051 0.000 0.273 191 L C -0.563 176.160 176.870 -0.246 0.000 1.138 191 L CA -0.009 54.809 54.840 -0.036 0.000 0.832 191 L CB 0.125 42.165 42.059 -0.032 0.000 1.124 191 L HN 0.275 nan 8.230 nan 0.000 0.454 192 H N 4.775 123.958 119.070 0.189 0.000 2.658 192 H HA 0.397 4.984 4.556 0.051 0.000 0.337 192 H C -1.066 174.360 175.328 0.163 0.000 1.009 192 H CA -0.734 55.408 56.048 0.156 0.000 1.231 192 H CB 1.808 31.665 29.762 0.158 0.000 1.508 192 H HN 0.384 nan 8.280 nan 0.000 0.517 193 V N 6.000 126.056 119.914 0.235 0.000 2.350 193 V HA 0.225 4.376 4.120 0.051 0.000 0.276 193 V C 0.207 176.432 176.094 0.219 0.000 1.028 193 V CA -0.460 61.974 62.300 0.223 0.000 0.860 193 V CB 0.928 32.868 31.823 0.195 0.000 0.990 193 V HN 0.474 nan 8.190 nan 0.000 0.453 194 L N 5.303 126.641 121.223 0.191 0.000 2.325 194 L HA 0.581 4.951 4.340 0.051 0.000 0.281 194 L C -0.059 176.870 176.870 0.098 0.000 1.004 194 L CA -0.515 54.401 54.840 0.127 0.000 0.823 194 L CB 1.700 43.828 42.059 0.115 0.000 1.236 194 L HN 0.509 nan 8.230 nan 0.000 0.415 195 K N 4.402 124.811 120.400 0.016 0.000 2.234 195 K HA 0.289 4.639 4.320 0.051 0.000 0.277 195 K C -0.217 176.371 176.600 -0.020 0.000 1.038 195 K CA -0.580 55.680 56.287 -0.044 0.000 0.888 195 K CB 1.104 33.421 32.500 -0.306 0.000 1.091 195 K HN 0.648 nan 8.250 nan 0.000 0.467 196 Q N 2.467 122.280 119.800 0.022 0.000 2.417 196 Q HA 0.288 4.658 4.340 0.051 0.000 0.241 196 Q C 0.186 176.186 176.000 0.002 0.000 1.008 196 Q CA -0.771 55.050 55.803 0.030 0.000 0.901 196 Q CB 0.853 29.632 28.738 0.069 0.000 1.259 196 Q HN 0.622 nan 8.270 nan 0.000 0.489 197 G N 1.074 109.873 108.800 -0.001 0.000 2.528 197 G HA2 0.232 4.223 3.960 0.051 0.000 0.289 197 G HA3 0.232 4.223 3.960 0.051 0.000 0.289 197 G C -0.546 174.339 174.900 -0.025 0.000 1.192 197 G CA -0.650 44.435 45.100 -0.025 0.000 0.921 197 G HN 0.576 nan 8.290 nan 0.000 0.512 198 Q N -0.757 119.002 119.800 -0.069 0.000 2.230 198 Q HA 0.461 4.832 4.340 0.051 0.000 0.248 198 Q C 0.207 176.062 176.000 -0.241 0.000 0.915 198 Q CA -0.533 55.187 55.803 -0.138 0.000 0.900 198 Q CB 1.898 30.531 28.738 -0.174 0.000 1.229 198 Q HN 0.519 nan 8.270 nan 0.000 0.439 199 V N -1.595 118.118 119.914 -0.335 0.000 3.113 199 V HA 0.645 4.796 4.120 0.051 0.000 0.316 199 V C -0.607 174.988 176.094 -0.831 0.000 1.125 199 V CA -1.010 60.887 62.300 -0.672 0.000 1.026 199 V CB 1.273 32.894 31.823 -0.337 0.000 1.080 199 V HN 0.504 nan 8.190 nan 0.000 0.444 200 F N 0.143 119.529 119.950 -0.941 0.000 2.370 200 F HA 0.676 5.233 4.527 0.051 0.000 0.324 200 F C 0.729 176.214 175.800 -0.525 0.000 1.116 200 F CA -0.416 57.164 58.000 -0.699 0.000 1.123 200 F CB 0.733 39.239 39.000 -0.824 0.000 1.238 200 F HN 0.605 nan 8.300 nan 0.000 0.536 201 C N 1.975 121.175 119.300 -0.167 0.000 2.391 201 C HA 0.564 5.055 4.460 0.051 0.000 0.339 201 C C -0.506 174.388 174.990 -0.160 0.000 1.205 201 C CA -0.928 57.976 59.018 -0.190 0.000 1.937 201 C CB 0.385 28.095 27.740 -0.051 0.000 2.341 201 C HN 0.427 nan 8.230 nan 0.000 0.516 202 F N 1.204 121.252 119.950 0.162 0.000 2.404 202 F HA 0.459 5.016 4.527 0.051 0.000 0.354 202 F C 1.100 177.026 175.800 0.209 0.000 1.122 202 F CA -0.798 57.303 58.000 0.168 0.000 1.080 202 F CB 0.890 40.008 39.000 0.197 0.000 1.131 202 F HN 0.773 nan 8.300 nan 0.000 0.471 203 A N 1.771 124.752 122.820 0.269 0.000 2.015 203 A HA 0.021 4.372 4.320 0.051 0.000 0.219 203 A C 0.353 177.860 177.584 -0.129 0.000 1.163 203 A CA 1.572 53.677 52.037 0.114 0.000 0.646 203 A CB -0.667 18.333 19.000 0.001 0.000 0.806 203 A HN 0.758 nan 8.150 nan 0.000 0.448 204 D N -3.835 116.390 120.400 -0.291 0.000 2.664 204 D HA 0.284 4.955 4.640 0.051 0.000 0.292 204 D C 0.493 176.324 176.300 -0.782 0.000 1.214 204 D CA 0.189 53.674 54.000 -0.859 0.000 0.932 204 D CB 0.167 40.736 40.800 -0.385 0.000 1.420 204 D HN -0.034 nan 8.370 nan 0.000 0.471 205 S N -1.509 113.776 115.700 -0.692 0.000 2.547 205 S HA 0.118 4.619 4.470 0.051 0.000 0.235 205 S C 1.468 175.977 174.600 -0.152 0.000 0.980 205 S CA 0.458 58.541 58.200 -0.196 0.000 0.941 205 S CB -0.482 62.696 63.200 -0.036 0.000 0.763 205 S HN 0.708 nan 8.310 nan 0.000 0.532 206 A N 0.403 123.083 122.820 -0.232 0.000 2.387 206 A HA 0.778 5.129 4.320 0.051 0.000 0.234 206 A C 1.324 178.646 177.584 -0.437 0.000 1.253 206 A CA 0.264 52.148 52.037 -0.256 0.000 0.894 206 A CB -0.755 18.074 19.000 -0.285 0.000 0.963 206 A HN 1.505 nan 8.150 nan 0.000 0.508 207 A N -0.060 122.447 122.820 -0.522 0.000 2.872 207 A HA -0.176 4.175 4.320 0.051 0.000 0.273 207 A C 0.089 177.494 177.584 -0.299 0.000 1.442 207 A CA 0.768 52.318 52.037 -0.811 0.000 0.801 207 A CB -2.838 15.360 19.000 -1.338 0.000 1.031 207 A HN 0.655 nan 8.150 nan 0.000 0.582 208 H N -0.349 118.715 119.070 -0.009 0.000 2.803 208 H HA 0.332 4.919 4.556 0.051 0.000 0.330 208 H C 0.914 176.373 175.328 0.219 0.000 1.057 208 H CA 0.218 56.326 56.048 0.099 0.000 1.458 208 H CB 0.464 30.124 29.762 -0.170 0.000 1.470 208 H HN 0.510 nan 8.280 nan 0.000 0.560 209 L N 2.340 123.804 121.223 0.402 0.000 2.453 209 L HA 0.115 4.486 4.340 0.051 0.000 0.272 209 L C 0.959 177.945 176.870 0.194 0.000 1.182 209 L CA -0.372 54.603 54.840 0.224 0.000 0.858 209 L CB 0.386 42.421 42.059 -0.039 0.000 1.120 209 L HN 0.597 nan 8.230 nan 0.000 0.474 210 A N 5.606 128.488 122.820 0.104 0.000 2.331 210 A HA 0.644 4.995 4.320 0.051 0.000 0.283 210 A C -0.339 177.269 177.584 0.040 0.000 1.142 210 A CA -0.439 51.641 52.037 0.071 0.000 0.812 210 A CB 0.475 19.519 19.000 0.073 0.000 1.074 210 A HN 0.662 nan 8.150 nan 0.000 0.497 211 L N 1.550 122.795 121.223 0.037 0.000 2.334 211 L HA 0.453 4.824 4.340 0.051 0.000 0.270 211 L C 0.127 177.013 176.870 0.026 0.000 1.018 211 L CA -0.978 53.877 54.840 0.025 0.000 0.811 211 L CB 1.789 43.864 42.059 0.027 0.000 1.271 211 L HN 0.952 nan 8.230 nan 0.000 0.443 212 D N -0.877 119.538 120.400 0.025 0.000 2.541 212 D HA 0.141 4.811 4.640 0.051 0.000 0.276 212 D C 0.632 176.946 176.300 0.023 0.000 1.190 212 D CA -0.397 53.617 54.000 0.023 0.000 1.095 212 D CB 0.393 41.205 40.800 0.021 0.000 1.173 212 D HN 0.283 nan 8.370 nan 0.000 0.604 213 E N -0.589 119.623 120.200 0.021 0.000 2.028 213 E HA -0.139 4.242 4.350 0.051 0.000 0.191 213 E C 1.895 178.509 176.600 0.022 0.000 0.988 213 E CA 1.545 57.957 56.400 0.020 0.000 0.799 213 E CB -1.079 28.631 29.700 0.017 0.000 0.755 213 E HN 0.602 nan 8.360 nan 0.000 0.447 214 T N -0.920 113.647 114.554 0.022 0.000 3.098 214 T HA 0.060 4.441 4.350 0.051 0.000 0.266 214 T C 1.109 175.828 174.700 0.032 0.000 1.145 214 T CA 1.329 63.443 62.100 0.024 0.000 1.092 214 T CB -0.376 68.505 68.868 0.021 0.000 0.908 214 T HN 0.436 nan 8.240 nan 0.000 0.526 215 G N 1.401 110.223 108.800 0.036 0.000 2.141 215 G HA2 -0.223 3.768 3.960 0.051 0.000 0.231 215 G HA3 -0.223 3.768 3.960 0.051 0.000 0.231 215 G C -0.051 174.881 174.900 0.053 0.000 0.984 215 G CA 0.399 45.529 45.100 0.049 0.000 0.660 215 G HN 0.837 nan 8.290 nan 0.000 0.525 216 K N -0.083 120.342 120.400 0.043 0.000 2.106 216 K HA 0.816 5.167 4.320 0.051 0.000 0.246 216 K C 0.352 176.973 176.600 0.035 0.000 0.987 216 K CA -1.186 55.128 56.287 0.045 0.000 0.904 216 K CB 1.461 33.988 32.500 0.045 0.000 1.071 216 K HN 0.094 nan 8.250 nan 0.000 0.453 217 L N 2.154 123.401 121.223 0.039 0.000 2.410 217 L HA 0.118 4.489 4.340 0.051 0.000 0.273 217 L C 0.041 176.953 176.870 0.070 0.000 1.152 217 L CA -0.801 54.064 54.840 0.042 0.000 0.855 217 L CB 0.388 42.477 42.059 0.051 0.000 1.129 217 L HN 0.540 nan 8.230 nan 0.000 0.463 218 L N 5.162 126.416 121.223 0.052 0.000 2.371 218 L HA 0.415 4.785 4.340 0.051 0.000 0.272 218 L C -0.246 176.628 176.870 0.007 0.000 1.124 218 L CA 0.393 55.249 54.840 0.027 0.000 0.816 218 L CB 0.376 42.446 42.059 0.019 0.000 1.129 218 L HN 0.504 nan 8.230 nan 0.000 0.448 219 R N 4.022 124.495 120.500 -0.045 0.000 2.698 219 R HA 0.601 4.972 4.340 0.051 0.000 0.275 219 R C -1.164 175.075 176.300 -0.103 0.000 1.001 219 R CA -0.999 55.022 56.100 -0.131 0.000 0.896 219 R CB 2.264 32.466 30.300 -0.162 0.000 1.218 219 R HN 0.633 nan 8.270 nan 0.000 0.462 220 K N 1.107 121.433 120.400 -0.124 0.000 2.533 220 K HA 0.512 4.863 4.320 0.051 0.000 0.272 220 K C -2.716 173.848 176.600 -0.061 0.000 0.985 220 K CA -1.801 54.443 56.287 -0.071 0.000 0.876 220 K CB 2.547 35.014 32.500 -0.055 0.000 1.452 220 K HN 0.209 nan 8.250 nan 0.000 0.439 221 P HA 0.059 nan 4.420 nan 0.000 0.275 221 P C -0.464 176.871 177.300 0.057 0.000 1.266 221 P CA -0.183 62.931 63.100 0.023 0.000 0.793 221 P CB 0.409 32.130 31.700 0.035 0.000 1.074 222 H N -0.095 118.965 119.070 -0.015 0.000 2.549 222 H HA 0.252 4.839 4.556 0.051 0.000 0.279 222 H C 0.502 175.806 175.328 -0.041 0.000 1.018 222 H CA 0.423 56.468 56.048 -0.005 0.000 1.175 222 H CB -0.220 29.588 29.762 0.076 0.000 1.485 222 H HN 0.624 nan 8.280 nan 0.000 0.543 223 G N 0.878 109.636 108.800 -0.069 0.000 2.603 223 G HA2 -0.263 3.728 3.960 0.051 0.000 0.686 223 G HA3 -0.263 3.728 3.960 0.051 0.000 0.686 223 G C 0.234 175.095 174.900 -0.065 0.000 1.286 223 G CA -0.139 44.866 45.100 -0.158 0.000 0.871 223 G HN 0.609 nan 8.290 nan 0.000 0.568 224 H N -0.830 118.276 119.070 0.059 0.000 2.545 224 H HA 0.237 4.824 4.556 0.051 0.000 0.282 224 H C 2.454 177.804 175.328 0.037 0.000 1.020 224 H CA 1.728 57.811 56.048 0.058 0.000 1.243 224 H CB -0.417 29.384 29.762 0.065 0.000 1.377 224 H HN 0.988 nan 8.280 nan 0.000 0.581 225 G N 0.932 109.748 108.800 0.027 0.000 2.462 225 G HA2 -0.303 3.687 3.960 0.051 0.000 0.220 225 G HA3 -0.303 3.687 3.960 0.051 0.000 0.220 225 G C 0.986 175.963 174.900 0.129 0.000 1.121 225 G CA 1.046 46.210 45.100 0.107 0.000 0.758 225 G HN 0.402 nan 8.290 nan 0.000 0.559 226 D N -0.383 120.104 120.400 0.145 0.000 2.351 226 D HA -0.056 4.615 4.640 0.051 0.000 0.216 226 D C 2.358 178.710 176.300 0.087 0.000 0.968 226 D CA 0.200 54.293 54.000 0.155 0.000 0.899 226 D CB -0.063 40.838 40.800 0.169 0.000 0.907 226 D HN 0.165 nan 8.370 nan 0.000 0.514 227 V N 0.846 120.764 119.914 0.007 0.000 2.469 227 V HA -0.268 3.883 4.120 0.051 0.000 0.251 227 V C 1.873 177.990 176.094 0.037 0.000 1.064 227 V CA 1.809 64.111 62.300 0.002 0.000 1.066 227 V CB -0.284 31.538 31.823 -0.000 0.000 0.667 227 V HN 0.369 nan 8.190 nan 0.000 0.461 228 H N 0.207 119.401 119.070 0.205 0.000 2.395 228 H HA -0.042 4.545 4.556 0.051 0.000 0.299 228 H C 2.623 178.053 175.328 0.170 0.000 1.070 228 H CA 1.703 57.878 56.048 0.211 0.000 1.356 228 H CB -0.592 29.229 29.762 0.098 0.000 1.401 228 H HN 0.696 nan 8.280 nan 0.000 0.524 229 S N 0.901 116.735 115.700 0.223 0.000 2.406 229 S HA -0.042 4.459 4.470 0.051 0.000 0.228 229 S C 2.292 176.989 174.600 0.161 0.000 1.020 229 S CA 0.406 58.711 58.200 0.174 0.000 0.965 229 S CB -0.664 62.595 63.200 0.097 0.000 0.798 229 S HN 0.219 nan 8.310 nan 0.000 0.488 230 L N 0.879 122.180 121.223 0.130 0.000 2.027 230 L HA -0.022 4.349 4.340 0.051 0.000 0.206 230 L C 2.658 179.579 176.870 0.086 0.000 1.074 230 L CA 1.368 56.261 54.840 0.090 0.000 0.745 230 L CB -0.667 41.445 42.059 0.089 0.000 0.898 230 L HN 0.301 nan 8.230 nan 0.000 0.433 231 I N -1.051 119.610 120.570 0.151 0.000 2.163 231 I HA -0.384 3.816 4.170 0.051 0.000 0.243 231 I C 2.625 178.786 176.117 0.075 0.000 1.085 231 I CA 1.715 63.101 61.300 0.143 0.000 1.347 231 I CB -0.501 37.695 38.000 0.326 0.000 1.044 231 I HN 0.213 nan 8.210 nan 0.000 0.408 232 Y N 2.110 122.426 120.300 0.027 0.000 2.207 232 Y HA -0.289 4.291 4.550 0.051 0.000 0.287 232 Y C 1.949 177.788 175.900 -0.101 0.000 1.156 232 Y CA 2.119 60.193 58.100 -0.043 0.000 1.182 232 Y CB -0.511 37.926 38.460 -0.038 0.000 0.979 232 Y HN 0.217 nan 8.280 nan 0.000 0.521 233 N N 0.078 118.705 118.700 -0.122 0.000 2.336 233 N HA 0.209 4.980 4.740 0.051 0.000 0.189 233 N C -0.118 175.267 175.510 -0.209 0.000 1.113 233 N CA 0.273 53.189 53.050 -0.222 0.000 0.858 233 N CB 0.104 38.547 38.487 -0.073 0.000 0.970 233 N HN 0.289 nan 8.380 nan 0.000 0.471 234 A N 0.743 123.446 122.820 -0.195 0.000 2.388 234 A HA 0.465 4.816 4.320 0.051 0.000 0.257 234 A C 0.568 177.987 177.584 -0.275 0.000 1.095 234 A CA -0.200 51.715 52.037 -0.203 0.000 0.791 234 A CB 0.190 19.072 19.000 -0.197 0.000 1.029 234 A HN 0.222 nan 8.150 nan 0.000 0.489 235 T N -1.156 113.264 114.554 -0.224 0.000 2.907 235 T HA 0.703 5.084 4.350 0.051 0.000 0.290 235 T C -0.300 174.292 174.700 -0.180 0.000 1.066 235 T CA -0.529 61.442 62.100 -0.216 0.000 1.012 235 T CB 1.236 70.010 68.868 -0.157 0.000 1.184 235 T HN 1.264 nan 8.240 nan 0.000 0.522 252 Q N 1.183 120.925 119.800 -0.098 0.000 2.241 252 Q HA 0.497 4.868 4.340 0.051 0.000 0.254 252 Q C -2.770 173.121 176.000 -0.182 0.000 0.917 252 Q CA -2.290 53.440 55.803 -0.122 0.000 0.919 252 Q CB 1.708 30.387 28.738 -0.098 0.000 1.237 252 Q HN 0.150 nan 8.270 nan 0.000 0.434 253 P HA -0.093 nan 4.420 nan 0.000 0.268 253 P C 0.323 177.400 177.300 -0.372 0.000 1.204 253 P CA -0.101 62.821 63.100 -0.296 0.000 0.768 253 P CB 0.593 32.120 31.700 -0.288 0.000 0.842 254 L N 6.117 127.033 121.223 -0.512 0.000 2.013 254 L HA -0.209 4.162 4.340 0.051 0.000 0.212 254 L C 2.068 178.284 176.870 -1.090 0.000 1.073 254 L CA 2.146 56.480 54.840 -0.843 0.000 0.753 254 L CB -1.349 40.105 42.059 -1.009 0.000 0.890 254 L HN 0.312 nan 8.230 nan 0.000 0.432 255 V N -2.708 116.732 119.914 -0.790 0.000 2.490 255 V HA -0.262 3.889 4.120 0.051 0.000 0.250 255 V C 2.068 178.075 176.094 -0.144 0.000 1.061 255 V CA 2.168 64.225 62.300 -0.406 0.000 1.064 255 V CB -1.350 30.444 31.823 -0.048 0.000 0.670 255 V HN 0.621 nan 8.190 nan 0.000 0.461 256 N N 0.829 119.423 118.700 -0.177 0.000 2.106 256 N HA -0.203 4.568 4.740 0.051 0.000 0.188 256 N C 1.697 177.183 175.510 -0.039 0.000 1.029 256 N CA 1.512 54.520 53.050 -0.070 0.000 0.848 256 N CB -0.341 38.095 38.487 -0.086 0.000 1.007 256 N HN 0.609 nan 8.380 nan 0.000 0.423 257 D N 0.534 120.855 120.400 -0.132 0.000 2.116 257 D HA -0.181 4.490 4.640 0.051 0.000 0.193 257 D C 1.548 177.928 176.300 0.133 0.000 0.998 257 D CA 1.177 55.147 54.000 -0.051 0.000 0.836 257 D CB -0.001 40.710 40.800 -0.148 0.000 0.951 257 D HN 0.272 nan 8.370 nan 0.000 0.449 258 W N 0.682 122.002 121.300 0.033 0.000 2.335 258 W HA -0.064 4.627 4.660 0.052 0.000 0.311 258 W C 2.429 179.054 176.519 0.177 0.000 1.213 258 W CA 0.347 57.736 57.345 0.074 0.000 1.274 258 W CB -1.342 28.101 29.460 -0.028 0.000 1.148 258 W HN 0.134 nan 8.180 nan 0.000 0.498 259 L N 0.106 121.533 121.223 0.339 0.000 2.046 259 L HA -0.198 4.173 4.340 0.051 0.000 0.208 259 L C 2.632 179.606 176.870 0.173 0.000 1.077 259 L CA 1.615 56.594 54.840 0.233 0.000 0.747 259 L CB -1.273 40.885 42.059 0.165 0.000 0.896 259 L HN -0.097 nan 8.230 nan 0.000 0.432 260 A N -0.190 122.717 122.820 0.144 0.000 2.019 260 A HA -0.092 4.259 4.320 0.051 0.000 0.219 260 A C 2.312 179.965 177.584 0.116 0.000 1.164 260 A CA 1.521 53.621 52.037 0.104 0.000 0.644 260 A CB -0.527 18.517 19.000 0.073 0.000 0.805 260 A HN 0.410 nan 8.150 nan 0.000 0.449 261 A N -1.873 121.062 122.820 0.191 0.000 2.238 261 A HA 0.413 4.764 4.320 0.051 0.000 0.208 261 A C 1.706 179.322 177.584 0.054 0.000 1.177 261 A CA 1.177 53.324 52.037 0.184 0.000 0.804 261 A CB -0.833 18.385 19.000 0.364 0.000 0.823 261 A HN 1.848 nan 8.150 nan 0.000 0.482 262 G N -2.365 106.471 108.800 0.059 0.000 2.141 262 G HA2 -0.265 3.726 3.960 0.051 0.000 0.231 262 G HA3 -0.265 3.726 3.960 0.051 0.000 0.231 262 G C -0.064 174.744 174.900 -0.152 0.000 0.984 262 G CA 0.043 45.109 45.100 -0.057 0.000 0.660 262 G HN 0.393 nan 8.290 nan 0.000 0.525 263 Y N 0.765 121.090 120.300 0.041 0.000 2.411 263 Y HA 0.411 4.991 4.550 0.051 0.000 0.333 263 Y C 1.666 177.567 175.900 0.002 0.000 1.186 263 Y CA 0.863 58.958 58.100 -0.009 0.000 1.381 263 Y CB 0.671 39.098 38.460 -0.055 0.000 1.273 263 Y HN 0.272 nan 8.280 nan 0.000 0.546 264 E N 0.274 120.523 120.200 0.082 0.000 2.474 264 E HA 0.167 4.548 4.350 0.051 0.000 0.215 264 E C -0.279 176.352 176.600 0.051 0.000 0.867 264 E CA 0.172 56.606 56.400 0.056 0.000 1.135 264 E CB 0.798 30.503 29.700 0.009 0.000 1.147 264 E HN 0.414 nan 8.360 nan 0.000 0.534 265 S N 0.556 116.256 115.700 0.001 0.000 2.599 265 S HA 0.599 5.100 4.470 0.051 0.000 0.287 265 S C -0.994 173.497 174.600 -0.181 0.000 1.105 265 S CA -0.637 57.536 58.200 -0.044 0.000 0.899 265 S CB 2.415 65.576 63.200 -0.065 0.000 1.100 265 S HN 0.168 nan 8.310 nan 0.000 0.482 266 I N 1.780 122.246 120.570 -0.174 0.000 2.569 266 I HA 0.665 4.866 4.170 0.051 0.000 0.290 266 I C -1.804 174.166 176.117 -0.245 0.000 1.088 266 I CA -0.633 60.434 61.300 -0.389 0.000 1.047 266 I CB 1.347 39.043 38.000 -0.508 0.000 1.237 266 I HN 0.399 nan 8.210 nan 0.000 0.421 267 V N 7.459 127.100 119.914 -0.454 0.000 2.588 267 V HA 0.499 4.650 4.120 0.051 0.000 0.304 267 V C -0.973 174.910 176.094 -0.353 0.000 1.042 267 V CA -0.467 61.703 62.300 -0.217 0.000 0.877 267 V CB 1.851 33.569 31.823 -0.174 0.000 0.996 267 V HN 0.468 nan 8.190 nan 0.000 0.425 268 F N 5.365 125.274 119.950 -0.067 0.000 2.444 268 F HA 0.747 5.305 4.527 0.051 0.000 0.342 268 F C 0.236 175.983 175.800 -0.088 0.000 1.121 268 F CA -0.636 57.318 58.000 -0.077 0.000 0.997 268 F CB 1.586 40.584 39.000 -0.002 0.000 1.130 268 F HN 0.415 nan 8.300 nan 0.000 0.454 269 I N -0.352 120.215 120.570 -0.004 0.000 2.892 269 I HA 0.624 4.824 4.170 0.051 0.000 0.306 269 I C -1.013 175.048 176.117 -0.093 0.000 1.078 269 I CA -1.045 60.204 61.300 -0.085 0.000 1.032 269 I CB 2.109 39.966 38.000 -0.238 0.000 1.229 269 I HN 0.465 nan 8.210 nan 0.000 0.435 270 Q N 1.340 121.085 119.800 -0.091 0.000 2.194 270 Q HA 0.213 4.584 4.340 0.051 0.000 0.245 270 Q C -0.126 175.854 176.000 -0.034 0.000 0.993 270 Q CA -0.564 55.203 55.803 -0.060 0.000 0.930 270 Q CB 1.568 30.273 28.738 -0.054 0.000 1.238 270 Q HN 0.818 nan 8.270 nan 0.000 0.486 271 D N -0.909 119.488 120.400 -0.004 0.000 2.224 271 D HA -0.115 4.556 4.640 0.051 0.000 0.205 271 D C 0.901 177.147 176.300 -0.089 0.000 0.965 271 D CA 1.174 55.203 54.000 0.049 0.000 0.852 271 D CB -0.105 40.712 40.800 0.028 0.000 0.947 271 D HN 0.537 nan 8.370 nan 0.000 0.494 272 T N -2.843 111.536 114.554 -0.293 0.000 3.741 272 T HA 0.229 4.609 4.350 0.051 0.000 0.242 272 T C -0.533 173.898 174.700 -0.448 0.000 1.042 272 T CA -0.909 60.668 62.100 -0.871 0.000 1.278 272 T CB -1.286 67.070 68.868 -0.852 0.000 0.994 272 T HN 0.201 nan 8.240 nan 0.000 0.594 273 N N 0.552 119.231 118.700 -0.034 0.000 2.664 273 N HA 0.486 5.257 4.740 0.051 0.000 0.257 273 N C 1.130 176.773 175.510 0.221 0.000 1.108 273 N CA -0.363 52.706 53.050 0.031 0.000 0.822 273 N CB 1.127 39.602 38.487 -0.020 0.000 1.199 273 N HN 0.325 nan 8.380 nan 0.000 0.529 274 A N 2.364 125.309 122.820 0.208 0.000 2.172 274 A HA 0.026 4.377 4.320 0.051 0.000 0.216 274 A C 1.934 179.601 177.584 0.138 0.000 1.154 274 A CA 1.352 53.474 52.037 0.141 0.000 0.701 274 A CB -0.423 18.430 19.000 -0.246 0.000 0.789 274 A HN 0.721 nan 8.150 nan 0.000 0.465 275 G N -0.295 108.521 108.800 0.026 0.000 2.479 275 G HA2 -0.017 3.974 3.960 0.051 0.000 0.220 275 G HA3 -0.017 3.974 3.960 0.051 0.000 0.220 275 G C 1.591 176.439 174.900 -0.086 0.000 1.115 275 G CA 1.131 46.200 45.100 -0.052 0.000 0.757 275 G HN 0.749 nan 8.290 nan 0.000 0.560 276 A N 0.960 123.753 122.820 -0.044 0.000 2.024 276 A HA -0.070 4.281 4.320 0.051 0.000 0.220 276 A C 2.611 180.035 177.584 -0.267 0.000 1.164 276 A CA 2.509 54.472 52.037 -0.122 0.000 0.643 276 A CB -0.950 18.011 19.000 -0.065 0.000 0.806 276 A HN 0.547 nan 8.150 nan 0.000 0.451 277 T N -2.410 111.903 114.554 -0.403 0.000 3.035 277 T HA 0.015 4.396 4.350 0.051 0.000 0.268 277 T C 1.581 176.023 174.700 -0.429 0.000 1.109 277 T CA 1.113 62.637 62.100 -0.960 0.000 1.119 277 T CB -0.243 67.806 68.868 -1.366 0.000 0.900 277 T HN 0.272 nan 8.240 nan 0.000 0.503 278 I N 2.568 123.012 120.570 -0.210 0.000 2.628 278 I HA 0.008 4.209 4.170 0.051 0.000 0.255 278 I C 2.947 179.020 176.117 -0.073 0.000 1.119 278 I CA 1.631 62.886 61.300 -0.075 0.000 1.448 278 I CB -1.605 36.371 38.000 -0.040 0.000 1.133 278 I HN 0.483 nan 8.210 nan 0.000 0.438 279 T N -0.614 113.796 114.554 -0.241 0.000 2.904 279 T HA 0.017 4.398 4.350 0.051 0.000 0.267 279 T C 2.025 176.645 174.700 -0.134 0.000 1.059 279 T CA 0.719 62.523 62.100 -0.493 0.000 1.137 279 T CB -0.554 67.660 68.868 -1.090 0.000 0.879 279 T HN 0.166 nan 8.240 nan 0.000 0.467 280 I N 2.181 122.729 120.570 -0.037 0.000 2.163 280 I HA -0.068 4.133 4.170 0.051 0.000 0.243 280 I C -0.524 175.709 176.117 0.193 0.000 1.085 280 I CA 1.238 62.605 61.300 0.112 0.000 1.347 280 I CB -1.025 37.109 38.000 0.223 0.000 1.044 280 I HN 0.233 nan 8.210 nan 0.000 0.408 281 P HA -0.163 nan 4.420 nan 0.000 0.216 281 P C 1.796 179.201 177.300 0.174 0.000 1.150 281 P CA 1.386 64.613 63.100 0.211 0.000 0.837 281 P CB -0.047 31.787 31.700 0.223 0.000 0.786 282 I N -0.769 119.931 120.570 0.218 0.000 2.252 282 I HA -0.158 4.043 4.170 0.051 0.000 0.245 282 I C 2.105 178.352 176.117 0.217 0.000 1.102 282 I CA 1.681 63.122 61.300 0.234 0.000 1.385 282 I CB -1.717 36.514 38.000 0.384 0.000 1.064 282 I HN -0.038 nan 8.210 nan 0.000 0.414 283 S N 1.140 117.014 115.700 0.290 0.000 2.368 283 S HA -0.097 4.403 4.470 0.051 0.000 0.225 283 S C 2.146 176.807 174.600 0.100 0.000 1.030 283 S CA 1.053 59.385 58.200 0.220 0.000 0.999 283 S CB -0.369 62.964 63.200 0.221 0.000 0.844 283 S HN 0.346 nan 8.310 nan 0.000 0.459 284 L N 1.144 122.420 121.223 0.090 0.000 2.012 284 L HA -0.193 4.177 4.340 0.051 0.000 0.210 284 L C 2.823 179.704 176.870 0.019 0.000 1.073 284 L CA 1.355 56.221 54.840 0.044 0.000 0.748 284 L CB -0.733 41.356 42.059 0.051 0.000 0.891 284 L HN 0.336 nan 8.230 nan 0.000 0.431 285 A N -0.049 122.788 122.820 0.028 0.000 1.877 285 A HA -0.182 4.169 4.320 0.051 0.000 0.216 285 A C 2.232 179.779 177.584 -0.062 0.000 1.186 285 A CA 1.561 53.592 52.037 -0.011 0.000 0.620 285 A CB -0.734 18.270 19.000 0.005 0.000 0.822 285 A HN 0.374 nan 8.150 nan 0.000 0.443 286 L N -0.723 120.475 121.223 -0.040 0.000 2.141 286 L HA -0.118 4.252 4.340 0.051 0.000 0.209 286 L C 2.816 179.623 176.870 -0.106 0.000 1.094 286 L CA 1.188 55.980 54.840 -0.081 0.000 0.763 286 L CB -0.339 41.707 42.059 -0.021 0.000 0.908 286 L HN 0.315 nan 8.230 nan 0.000 0.437 287 S N -0.168 115.500 115.700 -0.053 0.000 2.368 287 S HA -0.179 4.321 4.470 0.051 0.000 0.225 287 S C 2.151 176.715 174.600 -0.060 0.000 1.030 287 S CA 1.313 59.487 58.200 -0.042 0.000 0.999 287 S CB -0.178 63.012 63.200 -0.016 0.000 0.844 287 S HN 0.513 nan 8.310 nan 0.000 0.459 288 A N 1.096 123.871 122.820 -0.074 0.000 1.897 288 A HA -0.072 4.278 4.320 0.051 0.000 0.215 288 A C 1.987 179.485 177.584 -0.143 0.000 1.181 288 A CA 1.552 53.543 52.037 -0.077 0.000 0.620 288 A CB -0.588 18.375 19.000 -0.062 0.000 0.821 288 A HN 0.581 nan 8.150 nan 0.000 0.443 289 E N -0.963 119.086 120.200 -0.251 0.000 2.110 289 E HA -0.211 4.169 4.350 0.051 0.000 0.193 289 E C 0.939 177.218 176.600 -0.534 0.000 0.988 289 E CA 1.209 57.349 56.400 -0.434 0.000 0.804 289 E CB -0.088 29.227 29.700 -0.641 0.000 0.745 289 E HN 0.737 nan 8.360 nan 0.000 0.458 290 H N -0.582 118.346 119.070 -0.237 0.000 2.528 290 H HA 0.237 4.823 4.556 0.051 0.000 0.282 290 H C -0.205 175.055 175.328 -0.113 0.000 1.097 290 H CA 0.469 56.363 56.048 -0.256 0.000 1.121 290 H CB 0.722 30.085 29.762 -0.665 0.000 1.590 290 H HN -0.011 nan 8.280 nan 0.000 0.553 291 S N 1.157 116.852 115.700 -0.008 0.000 3.524 291 S HA -0.181 4.320 4.470 0.051 0.000 0.377 291 S C 0.338 174.980 174.600 0.071 0.000 0.949 291 S CA 0.128 58.348 58.200 0.033 0.000 1.264 291 S CB -1.848 61.379 63.200 0.045 0.000 0.918 291 S HN 0.357 nan 8.310 nan 0.000 0.517 292 L N 1.491 122.747 121.223 0.054 0.000 2.289 292 L HA 0.333 4.704 4.340 0.051 0.000 0.285 292 L C 1.344 178.255 176.870 0.068 0.000 1.049 292 L CA -0.713 54.167 54.840 0.067 0.000 0.804 292 L CB 0.757 42.839 42.059 0.038 0.000 1.195 292 L HN 0.189 nan 8.230 nan 0.000 0.428 293 D N 2.458 122.922 120.400 0.107 0.000 2.137 293 D HA -0.013 4.657 4.640 0.051 0.000 0.202 293 D C 0.447 176.708 176.300 -0.065 0.000 0.970 293 D CA 1.446 55.535 54.000 0.148 0.000 0.837 293 D CB 0.547 41.567 40.800 0.366 0.000 0.981 293 D HN 0.378 nan 8.370 nan 0.000 0.475 294 M N 0.602 120.028 119.600 -0.290 0.000 2.395 294 M HA 0.270 4.781 4.480 0.051 0.000 0.307 294 M C -1.778 174.286 176.300 -0.393 0.000 1.091 294 M CA -0.621 54.293 55.300 -0.644 0.000 0.919 294 M CB 2.444 34.443 32.600 -1.002 0.000 1.662 294 M HN -0.322 nan 8.290 nan 0.000 0.440 295 N N 4.251 122.682 118.700 -0.449 0.000 2.576 295 N HA 0.356 5.126 4.740 0.051 0.000 0.269 295 N C -2.102 173.304 175.510 -0.174 0.000 1.058 295 N CA -0.259 52.691 53.050 -0.166 0.000 0.860 295 N CB 0.681 39.118 38.487 -0.084 0.000 1.249 295 N HN 0.484 nan 8.380 nan 0.000 0.525 296 F N 1.136 121.000 119.950 -0.143 0.000 2.456 296 F HA 0.215 4.772 4.527 0.051 0.000 0.358 296 F C 1.347 177.137 175.800 -0.016 0.000 1.095 296 F CA 0.049 57.985 58.000 -0.106 0.000 1.216 296 F CB 0.878 39.815 39.000 -0.105 0.000 1.125 296 F HN 0.177 nan 8.300 nan 0.000 0.549 297 T N 3.908 118.558 114.554 0.160 0.000 2.779 297 T HA 0.333 4.714 4.350 0.051 0.000 0.296 297 T C -0.216 174.571 174.700 0.145 0.000 0.938 297 T CA -0.305 61.906 62.100 0.185 0.000 1.119 297 T CB -0.154 68.743 68.868 0.048 0.000 0.891 297 T HN 0.565 nan 8.240 nan 0.000 0.526 298 C N 3.863 123.280 119.300 0.195 0.000 2.771 298 C HA 0.898 5.388 4.460 0.051 0.000 0.333 298 C C 0.038 175.070 174.990 0.070 0.000 1.267 298 C CA -1.101 57.953 59.018 0.060 0.000 1.721 298 C CB 0.784 28.522 27.740 -0.004 0.000 2.222 298 C HN 0.975 nan 8.230 nan 0.000 0.485 299 I N -2.011 118.524 120.570 -0.058 0.000 3.006 299 I HA 0.567 4.768 4.170 0.051 0.000 0.306 299 I C -3.175 172.825 176.117 -0.194 0.000 1.250 299 I CA -2.428 58.825 61.300 -0.078 0.000 0.996 299 I CB 1.711 39.669 38.000 -0.070 0.000 1.261 299 I HN 0.281 nan 8.210 nan 0.000 0.442 300 P HA 0.138 nan 4.420 nan 0.000 0.264 300 P C -1.208 175.777 177.300 -0.525 0.000 1.193 300 P CA 0.020 62.750 63.100 -0.617 0.000 0.763 300 P CB 0.427 31.383 31.700 -1.240 0.000 0.810 301 R N 3.017 123.351 120.500 -0.278 0.000 2.407 301 R HA 0.450 4.821 4.340 0.051 0.000 0.303 301 R C -0.657 175.784 176.300 0.235 0.000 0.981 301 R CA -0.911 55.168 56.100 -0.035 0.000 0.905 301 R CB 0.869 31.137 30.300 -0.054 0.000 1.099 301 R HN 0.328 nan 8.270 nan 0.000 0.459 302 V N 3.109 123.186 119.914 0.273 0.000 2.465 302 V HA 0.357 4.508 4.120 0.051 0.000 0.279 302 V C -1.949 174.240 176.094 0.158 0.000 1.045 302 V CA -1.936 60.529 62.300 0.275 0.000 0.938 302 V CB 1.277 33.236 31.823 0.227 0.000 0.986 302 V HN 0.756 nan 8.190 nan 0.000 0.467 303 P HA -0.213 nan 4.420 nan 0.000 0.219 303 P C 1.212 178.592 177.300 0.134 0.000 1.151 303 P CA 1.857 65.033 63.100 0.128 0.000 0.850 303 P CB 0.050 31.809 31.700 0.097 0.000 0.784 304 K N -0.459 120.006 120.400 0.108 0.000 2.356 304 K HA 0.039 4.390 4.320 0.051 0.000 0.195 304 K C 0.965 177.615 176.600 0.084 0.000 1.037 304 K CA 0.324 56.670 56.287 0.100 0.000 1.014 304 K CB -0.313 32.230 32.500 0.073 0.000 0.815 304 K HN 0.443 nan 8.250 nan 0.000 0.507 305 E N 3.018 123.265 120.200 0.078 0.000 2.373 305 E HA 0.129 4.510 4.350 0.051 0.000 0.263 305 E C -2.338 174.190 176.600 -0.120 0.000 1.073 305 E CA -2.096 54.326 56.400 0.037 0.000 0.894 305 E CB 0.619 30.403 29.700 0.141 0.000 1.008 305 E HN -0.197 nan 8.360 nan 0.000 0.420 306 P HA 0.179 nan 4.420 nan 0.000 0.220 306 P C -0.815 176.127 177.300 -0.597 0.000 1.778 306 P CA 0.082 62.540 63.100 -1.070 0.000 0.912 306 P CB -0.679 30.523 31.700 -0.830 0.000 1.861 307 I N -3.720 116.740 120.570 -0.183 0.000 2.689 307 I HA 0.808 5.009 4.170 0.051 0.000 0.299 307 I C 0.261 176.460 176.117 0.136 0.000 1.059 307 I CA -1.340 59.959 61.300 -0.003 0.000 1.055 307 I CB 2.259 40.160 38.000 -0.164 0.000 1.243 307 I HN -0.074 nan 8.210 nan 0.000 0.425 308 G N 4.371 113.258 108.800 0.145 0.000 2.651 308 G HA2 0.514 4.505 3.960 0.051 0.000 0.260 308 G HA3 0.514 4.505 3.960 0.051 0.000 0.260 308 G C -0.790 174.063 174.900 -0.078 0.000 1.216 308 G CA -0.629 44.511 45.100 0.067 0.000 0.913 308 G HN 0.510 nan 8.290 nan 0.000 0.535 309 L N -0.343 120.779 121.223 -0.167 0.000 2.322 309 L HA 0.367 4.738 4.340 0.051 0.000 0.281 309 L C -0.139 176.544 176.870 -0.313 0.000 1.014 309 L CA -0.683 54.001 54.840 -0.261 0.000 0.815 309 L CB 1.816 43.620 42.059 -0.425 0.000 1.247 309 L HN 0.363 nan 8.230 nan 0.000 0.421 310 L N 3.734 124.755 121.223 -0.337 0.000 2.283 310 L HA 0.469 4.839 4.340 0.051 0.000 0.287 310 L C -0.761 175.828 176.870 -0.469 0.000 1.073 310 L CA 0.451 54.999 54.840 -0.487 0.000 0.822 310 L CB 0.130 41.874 42.059 -0.525 0.000 1.186 310 L HN 0.694 nan 8.230 nan 0.000 0.436 311 C N 4.252 123.227 119.300 -0.542 0.000 2.802 311 C HA 0.542 5.032 4.460 0.051 0.000 0.307 311 C C 0.101 174.824 174.990 -0.444 0.000 1.222 311 C CA -1.131 57.487 59.018 -0.665 0.000 1.580 311 C CB 2.037 29.265 27.740 -0.854 0.000 2.119 311 C HN 0.775 nan 8.230 nan 0.000 0.479 312 R N 1.472 121.738 120.500 -0.390 0.000 2.234 312 R HA 0.537 4.908 4.340 0.051 0.000 0.324 312 R C -0.090 176.225 176.300 0.025 0.000 1.054 312 R CA 0.385 56.378 56.100 -0.179 0.000 0.912 312 R CB 0.772 30.875 30.300 -0.329 0.000 1.030 312 R HN 0.999 nan 8.270 nan 0.000 0.455 313 T N 0.816 115.457 114.554 0.146 0.000 2.916 313 T HA 0.505 4.886 4.350 0.051 0.000 0.292 313 T C -0.725 174.064 174.700 0.148 0.000 1.055 313 T CA -1.034 61.105 62.100 0.066 0.000 1.009 313 T CB 2.102 70.859 68.868 -0.185 0.000 1.118 313 T HN 0.437 nan 8.240 nan 0.000 0.497 314 K N 1.605 122.043 120.400 0.063 0.000 2.668 314 K HA 0.292 4.642 4.320 0.051 0.000 0.246 314 K C 0.103 176.795 176.600 0.153 0.000 0.976 314 K CA -0.844 55.428 56.287 -0.026 0.000 0.902 314 K CB 2.119 34.407 32.500 -0.353 0.000 1.172 314 K HN 0.519 nan 8.250 nan 0.000 0.452 315 K N 1.798 122.303 120.400 0.175 0.000 2.057 315 K HA -0.046 4.305 4.320 0.051 0.000 0.207 315 K C -0.104 176.467 176.600 -0.048 0.000 1.049 315 K CA 1.707 58.022 56.287 0.047 0.000 0.931 315 K CB 0.127 32.597 32.500 -0.051 0.000 0.714 315 K HN 0.539 nan 8.250 nan 0.000 0.440 316 N N -1.823 116.850 118.700 -0.045 0.000 2.381 316 N HA 0.136 4.907 4.740 0.051 0.000 0.294 316 N C -0.286 175.178 175.510 -0.077 0.000 1.216 316 N CA -0.312 52.701 53.050 -0.062 0.000 0.803 316 N CB 1.817 40.269 38.487 -0.059 0.000 1.372 316 N HN -0.175 nan 8.380 nan 0.000 0.500 317 S N -0.102 115.555 115.700 -0.072 0.000 2.419 317 S HA -0.081 4.419 4.470 0.051 0.000 0.235 317 S C 1.628 176.167 174.600 -0.102 0.000 1.019 317 S CA 1.701 59.850 58.200 -0.084 0.000 0.982 317 S CB -0.500 62.664 63.200 -0.060 0.000 0.789 317 S HN 0.733 nan 8.310 nan 0.000 0.490 318 G N 0.344 109.094 108.800 -0.084 0.000 2.838 318 G HA2 0.088 4.078 3.960 0.051 0.000 0.210 318 G HA3 0.088 4.078 3.960 0.051 0.000 0.210 318 G C 0.066 174.909 174.900 -0.095 0.000 1.153 318 G CA -0.250 44.802 45.100 -0.081 0.000 0.778 318 G HN 0.376 nan 8.290 nan 0.000 0.539 319 D N 1.451 121.788 120.400 -0.105 0.000 2.362 319 D HA 0.211 4.881 4.640 0.051 0.000 0.238 319 D C -1.859 174.358 176.300 -0.138 0.000 1.212 319 D CA -0.865 53.080 54.000 -0.093 0.000 0.902 319 D CB 0.880 41.639 40.800 -0.069 0.000 1.180 319 D HN 0.116 nan 8.370 nan 0.000 0.445 320 P HA 0.103 nan 4.420 nan 0.000 0.277 320 P C -0.410 176.878 177.300 -0.021 0.000 1.240 320 P CA -0.563 62.513 63.100 -0.041 0.000 0.798 320 P CB 0.498 32.224 31.700 0.043 0.000 0.979 321 W N 1.422 122.736 121.300 0.024 0.000 2.209 321 W HA 0.228 4.918 4.660 0.051 0.000 0.344 321 W C 0.183 176.716 176.519 0.023 0.000 1.285 321 W CA 0.111 57.463 57.345 0.013 0.000 1.267 321 W CB 0.068 29.527 29.460 -0.002 0.000 1.167 321 W HN 0.145 nan 8.180 nan 0.000 0.574 322 L N 3.984 125.382 121.223 0.291 0.000 2.491 322 L HA 0.395 4.766 4.340 0.051 0.000 0.267 322 L C -0.924 176.016 176.870 0.116 0.000 0.971 322 L CA -0.900 54.050 54.840 0.182 0.000 0.857 322 L CB 1.363 43.510 42.059 0.146 0.000 1.226 322 L HN 0.116 nan 8.230 nan 0.000 0.408 323 V N 4.578 124.540 119.914 0.080 0.000 2.508 323 V HA 0.811 4.961 4.120 0.051 0.000 0.281 323 V C 0.521 176.601 176.094 -0.024 0.000 1.041 323 V CA 0.443 62.728 62.300 -0.025 0.000 1.016 323 V CB 0.536 32.339 31.823 -0.033 0.000 0.984 323 V HN 0.971 nan 8.190 nan 0.000 0.478 324 A N 4.675 127.403 122.820 -0.153 0.000 2.601 324 A HA 0.480 4.831 4.320 0.051 0.000 0.291 324 A C -0.510 176.888 177.584 -0.310 0.000 1.075 324 A CA -0.796 51.168 52.037 -0.121 0.000 0.671 324 A CB 1.113 20.129 19.000 0.026 0.000 1.277 324 A HN 0.691 nan 8.150 nan 0.000 0.417 325 N N 0.521 119.082 118.700 -0.232 0.000 2.492 325 N HA 0.319 5.090 4.740 0.051 0.000 0.262 325 N C -0.992 174.446 175.510 -0.119 0.000 1.202 325 N CA 0.262 53.188 53.050 -0.206 0.000 0.926 325 N CB 0.691 39.187 38.487 0.015 0.000 1.078 325 N HN 0.358 nan 8.380 nan 0.000 0.454 326 V N 3.482 123.309 119.914 -0.144 0.000 2.334 326 V HA 0.162 4.312 4.120 0.051 0.000 0.281 326 V C 0.221 176.303 176.094 -0.019 0.000 1.016 326 V CA -0.874 61.395 62.300 -0.050 0.000 0.832 326 V CB 1.199 32.994 31.823 -0.048 0.000 0.999 326 V HN 0.671 nan 8.190 nan 0.000 0.439 327 E N 2.618 122.789 120.200 -0.048 0.000 2.436 327 E HA -0.016 4.364 4.350 0.051 0.000 0.262 327 E C 0.899 177.468 176.600 -0.051 0.000 1.063 327 E CA 0.241 56.577 56.400 -0.107 0.000 0.944 327 E CB 0.578 30.087 29.700 -0.318 0.000 0.950 327 E HN 0.736 nan 8.360 nan 0.000 0.444 328 Y N 2.627 122.963 120.300 0.059 0.000 2.114 328 Y HA -0.330 4.252 4.550 0.053 0.000 0.282 328 Y C 1.520 177.509 175.900 0.147 0.000 1.165 328 Y CA 1.820 59.987 58.100 0.112 0.000 1.148 328 Y CB -0.837 37.674 38.460 0.085 0.000 0.972 328 Y HN 0.462 nan 8.280 nan 0.000 0.504 329 N N 1.096 119.581 118.700 -0.358 0.000 2.166 329 N HA -0.157 4.614 4.740 0.051 0.000 0.186 329 N C 1.540 177.033 175.510 -0.028 0.000 1.019 329 N CA 1.877 54.855 53.050 -0.121 0.000 0.856 329 N CB -1.251 37.095 38.487 -0.236 0.000 0.993 329 N HN 0.421 nan 8.380 nan 0.000 0.426 330 V N -0.176 119.701 119.914 -0.061 0.000 2.548 330 V HA -0.069 4.081 4.120 0.051 0.000 0.249 330 V C 1.884 178.054 176.094 0.126 0.000 1.055 330 V CA 1.076 63.386 62.300 0.017 0.000 1.065 330 V CB -0.836 30.988 31.823 0.002 0.000 0.681 330 V HN 0.181 nan 8.190 nan 0.000 0.462 331 F N 1.471 121.444 119.950 0.039 0.000 2.325 331 F HA 0.021 4.578 4.527 0.051 0.000 0.299 331 F C 2.221 178.074 175.800 0.089 0.000 1.090 331 F CA 0.933 58.984 58.000 0.084 0.000 1.392 331 F CB -0.296 38.759 39.000 0.092 0.000 1.053 331 F HN 0.078 nan 8.300 nan 0.000 0.521 332 A N -0.073 122.838 122.820 0.152 0.000 1.933 332 A HA -0.172 4.179 4.320 0.051 0.000 0.218 332 A C 2.092 179.667 177.584 -0.016 0.000 1.175 332 A CA 1.961 54.043 52.037 0.076 0.000 0.628 332 A CB -0.621 18.462 19.000 0.138 0.000 0.814 332 A HN 0.523 nan 8.150 nan 0.000 0.444 333 E N -0.656 119.539 120.200 -0.009 0.000 2.060 333 E HA -0.031 4.350 4.350 0.051 0.000 0.189 333 E C 1.932 178.499 176.600 -0.055 0.000 0.974 333 E CA 0.850 57.236 56.400 -0.022 0.000 0.808 333 E CB -0.170 29.529 29.700 -0.001 0.000 0.768 333 E HN 0.303 nan 8.360 nan 0.000 0.453 334 V N 1.291 121.174 119.914 -0.052 0.000 2.380 334 V HA -0.299 3.852 4.120 0.051 0.000 0.251 334 V C 2.381 178.375 176.094 -0.167 0.000 1.063 334 V CA 1.965 64.236 62.300 -0.049 0.000 1.055 334 V CB -0.566 31.300 31.823 0.072 0.000 0.657 334 V HN 0.259 nan 8.190 nan 0.000 0.455 335 S N 0.297 115.789 115.700 -0.347 0.000 2.349 335 S HA -0.229 4.272 4.470 0.051 0.000 0.216 335 S C 2.075 176.567 174.600 -0.181 0.000 1.033 335 S CA 1.593 59.543 58.200 -0.417 0.000 1.021 335 S CB -0.335 62.535 63.200 -0.551 0.000 0.968 335 S HN 0.561 nan 8.310 nan 0.000 0.426 336 R N 0.674 121.103 120.500 -0.119 0.000 2.388 336 R HA -0.046 4.325 4.340 0.051 0.000 0.233 336 R C 1.456 177.729 176.300 -0.045 0.000 1.156 336 R CA 0.914 56.978 56.100 -0.061 0.000 1.036 336 R CB -0.286 29.992 30.300 -0.036 0.000 0.847 336 R HN 0.490 nan 8.270 nan 0.000 0.483 337 A N 0.328 123.118 122.820 -0.050 0.000 1.795 337 A HA 0.197 4.547 4.320 0.051 0.000 0.182 337 A C -0.119 177.452 177.584 -0.020 0.000 2.073 337 A CA -0.578 51.441 52.037 -0.029 0.000 1.402 337 A CB -0.434 18.551 19.000 -0.024 0.000 0.977 337 A HN 0.156 nan 8.150 nan 0.000 0.648 338 L N 1.946 123.162 121.223 -0.012 0.000 2.667 338 L HA 0.214 4.585 4.340 0.051 0.000 0.278 338 L C -0.519 176.367 176.870 0.027 0.000 1.217 338 L CA 0.746 55.595 54.840 0.015 0.000 0.935 338 L CB -0.541 41.542 42.059 0.040 0.000 1.193 338 L HN 0.598 nan 8.230 nan 0.000 0.493 352 F N 1.176 121.114 119.950 -0.021 0.000 2.572 352 F HA 0.681 5.238 4.527 0.050 0.000 0.342 352 F C 0.920 176.689 175.800 -0.051 0.000 1.064 352 F CA -1.150 56.834 58.000 -0.028 0.000 1.008 352 F CB 1.652 40.633 39.000 -0.032 0.000 1.303 352 F HN -0.098 nan 8.300 nan 0.000 0.492 353 S N 1.329 117.132 115.700 0.171 0.000 2.593 353 S HA 0.091 4.592 4.470 0.051 0.000 0.269 353 S C -1.703 172.828 174.600 -0.115 0.000 1.334 353 S CA -0.803 57.400 58.200 0.005 0.000 1.015 353 S CB 0.788 63.952 63.200 -0.060 0.000 0.912 353 S HN 0.376 nan 8.310 nan 0.000 0.541 354 P HA 0.041 nan 4.420 nan 0.000 0.220 354 P C -0.381 176.516 177.300 -0.671 0.000 1.148 354 P CA 1.093 63.853 63.100 -0.567 0.000 0.803 354 P CB 0.092 31.243 31.700 -0.914 0.000 0.782 355 F N -1.547 118.327 119.950 -0.128 0.000 2.579 355 F HA 0.500 5.058 4.527 0.051 0.000 0.324 355 F C -2.239 173.437 175.800 -0.206 0.000 1.058 355 F CA -3.297 54.592 58.000 -0.184 0.000 0.944 355 F CB 0.509 39.364 39.000 -0.242 0.000 1.245 355 F HN -0.432 nan 8.300 nan 0.000 0.477 356 P HA 0.189 nan 4.420 nan 0.000 0.271 356 P C -0.359 176.861 177.300 -0.133 0.000 1.218 356 P CA -0.315 62.724 63.100 -0.103 0.000 0.780 356 P CB 0.610 32.241 31.700 -0.116 0.000 0.901 357 G N 0.822 109.533 108.800 -0.147 0.000 2.372 357 G HA2 0.365 4.355 3.960 0.051 0.000 0.283 357 G HA3 0.365 4.355 3.960 0.051 0.000 0.283 357 G C -0.438 174.368 174.900 -0.158 0.000 1.177 357 G CA -0.181 44.824 45.100 -0.158 0.000 0.842 357 G HN 0.437 nan 8.290 nan 0.000 0.503 358 S N 0.704 116.321 115.700 -0.138 0.000 2.438 358 S HA 0.270 4.770 4.470 0.051 0.000 0.293 358 S C 1.023 175.552 174.600 -0.118 0.000 1.141 358 S CA -0.466 57.694 58.200 -0.067 0.000 1.080 358 S CB 1.205 64.409 63.200 0.007 0.000 0.978 358 S HN 1.133 nan 8.310 nan 0.000 0.479 359 V N 2.159 121.981 119.914 -0.154 0.000 3.621 359 V HA 0.461 4.611 4.120 0.051 0.000 0.285 359 V C 0.509 176.553 176.094 -0.083 0.000 1.346 359 V CA 0.407 62.547 62.300 -0.267 0.000 1.104 359 V CB -1.685 29.835 31.823 -0.504 0.000 0.913 359 V HN 1.100 nan 8.190 nan 0.000 0.432 360 N N 0.153 118.843 118.700 -0.016 0.000 2.776 360 N HA -0.147 4.624 4.740 0.051 0.000 0.249 360 N C -0.290 175.207 175.510 -0.021 0.000 1.111 360 N CA 0.788 53.828 53.050 -0.016 0.000 0.711 360 N CB -0.954 37.501 38.487 -0.055 0.000 1.065 360 N HN 0.668 nan 8.380 nan 0.000 0.556 361 T N 1.692 116.234 114.554 -0.020 0.000 2.738 361 T HA 0.454 4.834 4.350 0.051 0.000 0.298 361 T C 0.223 174.904 174.700 -0.031 0.000 0.962 361 T CA -0.144 61.948 62.100 -0.013 0.000 0.972 361 T CB 0.928 69.773 68.868 -0.039 0.000 0.928 361 T HN 0.126 nan 8.240 nan 0.000 0.474 362 L N 3.905 125.134 121.223 0.009 0.000 2.313 362 L HA 0.646 5.017 4.340 0.051 0.000 0.283 362 L C -0.488 176.354 176.870 -0.047 0.000 1.013 362 L CA -1.092 53.672 54.840 -0.127 0.000 0.816 362 L CB 1.668 43.679 42.059 -0.080 0.000 1.236 362 L HN 0.294 nan 8.230 nan 0.000 0.419 363 V N 3.826 123.563 119.914 -0.296 0.000 2.409 363 V HA 0.475 4.626 4.120 0.051 0.000 0.291 363 V C -0.449 175.438 176.094 -0.343 0.000 1.020 363 V CA -0.364 61.838 62.300 -0.162 0.000 0.848 363 V CB 1.415 33.188 31.823 -0.083 0.000 0.990 363 V HN 0.409 nan 8.190 nan 0.000 0.430 364 F N 2.392 122.315 119.950 -0.045 0.000 2.556 364 F HA 0.531 5.089 4.527 0.051 0.000 0.327 364 F C 0.384 176.194 175.800 0.015 0.000 1.059 364 F CA -0.956 57.037 58.000 -0.011 0.000 0.953 364 F CB 1.784 40.828 39.000 0.074 0.000 1.227 364 F HN 0.272 nan 8.300 nan 0.000 0.478 365 K N 2.104 122.664 120.400 0.267 0.000 2.349 365 K HA 0.165 4.516 4.320 0.051 0.000 0.289 365 K C 0.883 177.656 176.600 0.288 0.000 1.064 365 K CA -0.339 56.080 56.287 0.219 0.000 0.947 365 K CB 0.726 33.349 32.500 0.205 0.000 1.007 365 K HN 0.692 nan 8.250 nan 0.000 0.478 366 L N 4.558 125.908 121.223 0.211 0.000 2.013 366 L HA -0.256 4.114 4.340 0.051 0.000 0.212 366 L C 2.129 179.175 176.870 0.294 0.000 1.073 366 L CA 2.514 57.498 54.840 0.239 0.000 0.753 366 L CB -0.761 41.401 42.059 0.173 0.000 0.890 366 L HN 0.898 nan 8.230 nan 0.000 0.432 367 S N -2.145 113.698 115.700 0.238 0.000 2.382 367 S HA -0.172 4.329 4.470 0.051 0.000 0.228 367 S C 1.975 176.725 174.600 0.250 0.000 1.027 367 S CA 1.345 59.676 58.200 0.217 0.000 0.991 367 S CB -0.886 62.416 63.200 0.171 0.000 0.823 367 S HN 0.523 nan 8.310 nan 0.000 0.469 368 S N 0.801 116.694 115.700 0.321 0.000 2.368 368 S HA -0.018 4.482 4.470 0.051 0.000 0.224 368 S C 1.520 176.302 174.600 0.304 0.000 1.029 368 S CA 1.054 59.490 58.200 0.394 0.000 0.988 368 S CB -0.737 62.798 63.200 0.558 0.000 0.838 368 S HN 0.654 nan 8.310 nan 0.000 0.462 369 Y N 2.798 123.259 120.300 0.268 0.000 2.081 369 Y HA -0.233 4.348 4.550 0.051 0.000 0.280 369 Y C 2.236 178.161 175.900 0.042 0.000 1.163 369 Y CA 1.462 59.644 58.100 0.138 0.000 1.135 369 Y CB -0.668 37.796 38.460 0.007 0.000 0.970 369 Y HN 0.031 nan 8.280 nan 0.000 0.498 370 V N 0.546 120.545 119.914 0.142 0.000 2.343 370 V HA -0.290 3.861 4.120 0.051 0.000 0.247 370 V C 2.101 178.173 176.094 -0.037 0.000 1.051 370 V CA 2.093 64.428 62.300 0.058 0.000 1.036 370 V CB -0.719 31.211 31.823 0.179 0.000 0.654 370 V HN 0.410 nan 8.190 nan 0.000 0.451 371 D N 0.084 120.485 120.400 0.002 0.000 2.092 371 D HA -0.159 4.512 4.640 0.051 0.000 0.193 371 D C 2.422 178.634 176.300 -0.146 0.000 0.994 371 D CA 1.193 55.183 54.000 -0.016 0.000 0.828 371 D CB -0.257 40.591 40.800 0.079 0.000 0.963 371 D HN 0.237 nan 8.370 nan 0.000 0.450 372 R N 0.335 120.640 120.500 -0.326 0.000 2.092 372 R HA -0.037 4.334 4.340 0.051 0.000 0.231 372 R C 2.328 178.376 176.300 -0.421 0.000 1.119 372 R CA 0.161 55.959 56.100 -0.503 0.000 0.970 372 R CB -1.256 28.446 30.300 -0.997 0.000 0.864 372 R HN 0.241 nan 8.270 nan 0.000 0.440 373 L N 1.035 121.993 121.223 -0.441 0.000 2.017 373 L HA -0.122 4.249 4.340 0.051 0.000 0.208 373 L C 2.251 178.990 176.870 -0.219 0.000 1.073 373 L CA 1.732 56.353 54.840 -0.365 0.000 0.745 373 L CB -0.184 41.663 42.059 -0.355 0.000 0.894 373 L HN 0.010 nan 8.230 nan 0.000 0.432 374 R N -0.723 119.734 120.500 -0.072 0.000 2.096 374 R HA -0.204 4.166 4.340 0.051 0.000 0.235 374 R C 2.168 178.446 176.300 -0.036 0.000 1.127 374 R CA 1.408 57.545 56.100 0.062 0.000 0.968 374 R CB -0.321 30.044 30.300 0.109 0.000 0.861 374 R HN 0.460 nan 8.270 nan 0.000 0.440 375 E N 0.671 120.797 120.200 -0.125 0.000 2.106 375 E HA -0.142 4.239 4.350 0.051 0.000 0.192 375 E C 1.562 178.003 176.600 -0.266 0.000 0.984 375 E CA 1.855 58.158 56.400 -0.162 0.000 0.806 375 E CB 0.073 29.675 29.700 -0.162 0.000 0.750 375 E HN 0.271 nan 8.360 nan 0.000 0.458 376 S N -1.702 113.817 115.700 -0.301 0.000 2.524 376 S HA 0.064 4.564 4.470 0.051 0.000 0.215 376 S C 0.180 174.562 174.600 -0.363 0.000 0.986 376 S CA 0.276 58.281 58.200 -0.326 0.000 0.911 376 S CB -0.523 62.519 63.200 -0.264 0.000 0.805 376 S HN 0.538 nan 8.310 nan 0.000 0.501 377 H N 0.795 119.443 119.070 -0.703 0.000 2.899 377 H HA -0.184 4.403 4.556 0.051 0.000 0.282 377 H C 1.286 176.228 175.328 -0.644 0.000 1.198 377 H CA 0.241 55.574 56.048 -1.191 0.000 1.140 377 H CB -1.679 27.668 29.762 -0.691 0.000 1.317 377 H HN 0.867 nan 8.280 nan 0.000 0.375 378 G N -0.249 108.369 108.800 -0.303 0.000 2.184 378 G HA2 -0.327 3.663 3.960 0.051 0.000 0.264 378 G HA3 -0.327 3.663 3.960 0.051 0.000 0.264 378 G C 0.260 175.152 174.900 -0.014 0.000 0.975 378 G CA 0.279 45.334 45.100 -0.075 0.000 0.642 378 G HN 0.359 nan 8.290 nan 0.000 0.536 379 I N 1.647 122.168 120.570 -0.082 0.000 2.533 379 I HA 0.426 4.627 4.170 0.051 0.000 0.284 379 I C 1.149 177.254 176.117 -0.020 0.000 1.109 379 I CA -0.829 60.444 61.300 -0.046 0.000 1.412 379 I CB 0.518 38.456 38.000 -0.102 0.000 1.396 379 I HN 0.402 nan 8.210 nan 0.000 0.543 380 V N 5.514 125.461 119.914 0.056 0.000 3.046 380 V HA 0.714 4.865 4.120 0.051 0.000 0.316 380 V C -2.568 173.582 176.094 0.094 0.000 1.104 380 V CA -2.377 59.964 62.300 0.069 0.000 1.006 380 V CB 1.259 33.154 31.823 0.120 0.000 1.058 380 V HN 0.524 nan 8.190 nan 0.000 0.440 381 P HA 0.246 nan 4.420 nan 0.000 0.266 381 P C -0.544 176.850 177.300 0.157 0.000 1.193 381 P CA 0.317 63.483 63.100 0.109 0.000 0.770 381 P CB 0.281 32.045 31.700 0.107 0.000 0.836 382 E N 0.814 121.111 120.200 0.162 0.000 2.264 382 E HA 0.688 5.069 4.350 0.051 0.000 0.260 382 E C -0.639 176.104 176.600 0.240 0.000 0.961 382 E CA -0.614 55.883 56.400 0.163 0.000 0.834 382 E CB 1.145 30.942 29.700 0.162 0.000 1.230 382 E HN 0.443 nan 8.360 nan 0.000 0.412 383 F N -0.852 119.098 119.950 -0.001 0.000 2.715 383 F HA 0.707 5.264 4.527 0.051 0.000 0.318 383 F C -1.667 174.130 175.800 -0.006 0.000 1.141 383 F CA -1.124 56.874 58.000 -0.003 0.000 0.950 383 F CB 1.053 40.043 39.000 -0.016 0.000 1.374 383 F HN 0.392 nan 8.300 nan 0.000 0.477 384 I N 1.351 121.970 120.570 0.080 0.000 2.769 384 I HA 0.492 4.693 4.170 0.051 0.000 0.298 384 I C -1.639 174.555 176.117 0.128 0.000 1.128 384 I CA -0.663 60.608 61.300 -0.049 0.000 1.031 384 I CB 2.142 40.139 38.000 -0.004 0.000 1.235 384 I HN 0.815 nan 8.210 nan 0.000 0.423 385 N N 6.808 125.525 118.700 0.028 0.000 2.711 385 N HA 0.456 5.227 4.740 0.051 0.000 0.263 385 N C -2.796 172.646 175.510 -0.113 0.000 1.667 385 N CA -1.522 51.568 53.050 0.066 0.000 0.785 385 N CB 0.803 39.416 38.487 0.210 0.000 1.231 385 N HN 0.159 nan 8.380 nan 0.000 0.503 386 P HA 0.130 nan 4.420 nan 0.000 0.268 386 P C -0.729 176.215 177.300 -0.593 0.000 1.205 386 P CA 0.113 62.792 63.100 -0.702 0.000 0.771 386 P CB 0.520 31.481 31.700 -1.232 0.000 0.858 387 K N 3.390 123.482 120.400 -0.513 0.000 2.264 387 K HA 0.270 4.621 4.320 0.051 0.000 0.277 387 K C -0.332 176.113 176.600 -0.259 0.000 1.067 387 K CA -0.381 55.757 56.287 -0.250 0.000 0.900 387 K CB 0.132 32.568 32.500 -0.107 0.000 1.124 387 K HN 0.425 nan 8.250 nan 0.000 0.469 388 Y N 0.278 120.579 120.300 0.001 0.000 2.304 388 Y HA -0.016 4.565 4.550 0.051 0.000 0.327 388 Y C 2.033 177.981 175.900 0.080 0.000 1.209 388 Y CA 0.290 58.441 58.100 0.084 0.000 1.299 388 Y CB 1.334 39.851 38.460 0.095 0.000 1.249 388 Y HN 0.592 nan 8.280 nan 0.000 0.519 389 S N 0.201 116.055 115.700 0.257 0.000 2.345 389 S HA -0.075 4.425 4.470 0.051 0.000 0.219 389 S C 0.108 174.792 174.600 0.140 0.000 1.031 389 S CA 1.178 59.475 58.200 0.162 0.000 0.984 389 S CB -0.113 63.171 63.200 0.141 0.000 0.874 389 S HN 0.725 nan 8.310 nan 0.000 0.451 390 D N -0.489 120.000 120.400 0.149 0.000 2.553 390 D HA 0.305 4.976 4.640 0.051 0.000 0.249 390 D C 0.452 176.798 176.300 0.078 0.000 1.062 390 D CA -0.480 53.578 54.000 0.096 0.000 1.085 390 D CB 0.815 41.657 40.800 0.070 0.000 1.350 390 D HN 0.250 nan 8.370 nan 0.000 0.575 391 E N -0.607 119.615 120.200 0.036 0.000 2.435 391 E HA -0.022 4.359 4.350 0.051 0.000 0.195 391 E C 1.165 177.742 176.600 -0.037 0.000 1.029 391 E CA 0.695 57.093 56.400 -0.003 0.000 0.865 391 E CB 0.123 29.825 29.700 0.003 0.000 0.833 391 E HN 0.465 nan 8.360 nan 0.000 0.510 392 T N 0.446 114.991 114.554 -0.014 0.000 2.837 392 T HA -0.004 4.376 4.350 0.051 0.000 0.242 392 T C 1.241 175.920 174.700 -0.035 0.000 1.044 392 T CA -0.063 62.024 62.100 -0.022 0.000 1.202 392 T CB -0.342 68.526 68.868 -0.001 0.000 0.905 392 T HN 0.033 nan 8.240 nan 0.000 0.413 393 R N 1.338 121.843 120.500 0.009 0.000 2.560 393 R HA 0.485 4.855 4.340 0.051 0.000 0.270 393 R C 0.015 176.361 176.300 0.078 0.000 1.074 393 R CA -0.724 55.395 56.100 0.032 0.000 1.140 393 R CB 0.622 30.954 30.300 0.053 0.000 1.073 393 R HN 0.231 nan 8.270 nan 0.000 0.527 394 R N 0.406 120.969 120.500 0.104 0.000 2.849 394 R HA 0.043 4.414 4.340 0.051 0.000 0.238 394 R C 0.038 176.530 176.300 0.320 0.000 1.403 394 R CA 0.047 56.311 56.100 0.273 0.000 1.303 394 R CB -0.009 30.388 30.300 0.161 0.000 1.191 394 R HN 0.386 nan 8.270 nan 0.000 0.533 395 S N 0.912 116.807 115.700 0.325 0.000 2.457 395 S HA 0.314 4.815 4.470 0.051 0.000 0.289 395 S C -0.375 174.475 174.600 0.417 0.000 1.163 395 S CA -0.789 57.540 58.200 0.216 0.000 1.078 395 S CB 0.295 63.571 63.200 0.127 0.000 0.987 395 S HN 0.108 nan 8.310 nan 0.000 0.482 396 F N 4.094 124.074 119.950 0.051 0.000 2.427 396 F HA 0.357 4.915 4.527 0.052 0.000 0.352 396 F C 1.424 177.223 175.800 -0.002 0.000 1.100 396 F CA -1.125 56.852 58.000 -0.039 0.000 1.191 396 F CB 1.021 39.983 39.000 -0.064 0.000 1.128 396 F HN 0.703 nan 8.300 nan 0.000 0.533 397 K N 1.735 122.226 120.400 0.152 0.000 2.097 397 K HA -0.145 4.206 4.320 0.051 0.000 0.205 397 K C -0.114 176.534 176.600 0.079 0.000 1.050 397 K CA 1.328 57.673 56.287 0.098 0.000 0.938 397 K CB 0.280 32.819 32.500 0.064 0.000 0.718 397 K HN 0.664 nan 8.250 nan 0.000 0.442 398 K N -0.740 119.695 120.400 0.057 0.000 2.536 398 K HA 0.425 4.776 4.320 0.051 0.000 0.269 398 K C -2.996 173.651 176.600 0.078 0.000 0.965 398 K CA -2.233 54.088 56.287 0.058 0.000 0.860 398 K CB 1.098 33.610 32.500 0.019 0.000 1.423 398 K HN -0.305 nan 8.250 nan 0.000 0.438 399 P HA 0.142 nan 4.420 nan 0.000 0.267 399 P C -1.075 176.253 177.300 0.047 0.000 1.201 399 P CA -0.180 63.025 63.100 0.175 0.000 0.775 399 P CB 0.586 32.352 31.700 0.110 0.000 0.854 400 A N 2.040 124.900 122.820 0.067 0.000 2.386 400 A HA 0.742 5.092 4.320 0.051 0.000 0.311 400 A C -0.412 177.172 177.584 0.000 0.000 1.068 400 A CA -0.526 51.464 52.037 -0.078 0.000 0.743 400 A CB 1.382 20.181 19.000 -0.334 0.000 1.258 400 A HN 0.568 nan 8.150 nan 0.000 0.429 401 R N 2.108 122.568 120.500 -0.066 0.000 2.892 401 R HA 0.652 5.023 4.340 0.051 0.000 0.265 401 R C -1.221 175.044 176.300 -0.059 0.000 1.025 401 R CA -0.798 55.256 56.100 -0.076 0.000 0.982 401 R CB 0.214 30.471 30.300 -0.072 0.000 1.185 401 R HN 0.575 nan 8.270 nan 0.000 0.484 402 I N 1.580 122.159 120.570 0.015 0.000 2.588 402 I HA 0.112 4.312 4.170 0.051 0.000 0.283 402 I C 0.706 176.672 176.117 -0.252 0.000 1.119 402 I CA 0.359 61.620 61.300 -0.065 0.000 1.419 402 I CB 0.568 38.596 38.000 0.046 0.000 1.394 402 I HN 0.485 nan 8.210 nan 0.000 0.562 403 E N 3.510 123.306 120.200 -0.673 0.000 2.355 403 E HA 0.694 5.075 4.350 0.051 0.000 0.261 403 E C -1.104 174.974 176.600 -0.871 0.000 0.943 403 E CA -0.809 55.045 56.400 -0.910 0.000 0.806 403 E CB 2.253 31.315 29.700 -1.064 0.000 1.286 403 E HN 0.685 nan 8.360 nan 0.000 0.424 404 S N 0.000 115.365 115.700 -0.559 0.000 2.547 404 S HA 0.548 5.049 4.470 0.051 0.000 0.270 404 S C -1.397 173.159 174.600 -0.074 0.000 1.150 404 S CA -0.947 57.170 58.200 -0.139 0.000 0.850 404 S CB 0.619 63.737 63.200 -0.137 0.000 1.118 404 S HN 0.351 nan 8.310 nan 0.000 0.461 405 L N 2.766 124.047 121.223 0.097 0.000 2.329 405 L HA 0.484 4.855 4.340 0.051 0.000 0.279 405 L C 1.670 178.708 176.870 0.280 0.000 1.014 405 L CA -1.020 53.886 54.840 0.109 0.000 0.814 405 L CB 1.751 43.952 42.059 0.236 0.000 1.257 405 L HN 1.035 nan 8.230 nan 0.000 0.424 406 M N 1.265 121.157 119.600 0.487 0.000 2.213 406 M HA -0.152 4.358 4.480 0.051 0.000 0.263 406 M C 1.748 178.240 176.300 0.319 0.000 1.062 406 M CA 1.456 56.959 55.300 0.339 0.000 1.105 406 M CB -0.375 32.306 32.600 0.134 0.000 1.385 406 M HN 0.740 nan 8.290 nan 0.000 0.417 407 Q N 0.437 120.384 119.800 0.245 0.000 2.364 407 Q HA -0.153 4.218 4.340 0.051 0.000 0.207 407 Q C 0.451 176.583 176.000 0.220 0.000 0.970 407 Q CA 1.503 57.414 55.803 0.180 0.000 0.888 407 Q CB -0.800 28.087 28.738 0.249 0.000 0.951 407 Q HN 0.542 nan 8.270 nan 0.000 0.469 408 D N 1.413 121.945 120.400 0.220 0.000 2.378 408 D HA -0.011 4.659 4.640 0.051 0.000 0.222 408 D C 1.694 178.088 176.300 0.156 0.000 0.980 408 D CA 0.169 54.281 54.000 0.187 0.000 0.907 408 D CB -0.222 40.678 40.800 0.167 0.000 0.899 408 D HN 0.349 nan 8.370 nan 0.000 0.527 409 I N 0.505 121.147 120.570 0.120 0.000 2.657 409 I HA -0.281 3.919 4.170 0.051 0.000 0.261 409 I C 1.888 178.163 176.117 0.263 0.000 1.212 409 I CA 0.520 61.851 61.300 0.052 0.000 1.453 409 I CB 0.168 38.008 38.000 -0.267 0.000 1.092 409 I HN -0.085 nan 8.210 nan 0.000 0.452 410 A N 0.686 123.656 122.820 0.250 0.000 2.024 410 A HA -0.166 4.185 4.320 0.051 0.000 0.220 410 A C 2.106 179.884 177.584 0.322 0.000 1.164 410 A CA 1.203 53.410 52.037 0.284 0.000 0.643 410 A CB -0.711 18.490 19.000 0.336 0.000 0.806 410 A HN 0.554 nan 8.150 nan 0.000 0.451 411 L N -0.902 120.459 121.223 0.231 0.000 2.465 411 L HA -0.022 4.348 4.340 0.051 0.000 0.224 411 L C 1.571 178.524 176.870 0.138 0.000 1.145 411 L CA 0.414 55.355 54.840 0.170 0.000 0.834 411 L CB -0.277 41.856 42.059 0.124 0.000 0.944 411 L HN 0.372 nan 8.230 nan 0.000 0.451 412 L N -1.484 119.816 121.223 0.130 0.000 2.607 412 L HA 0.111 4.482 4.340 0.051 0.000 0.228 412 L C -0.153 176.611 176.870 -0.175 0.000 1.123 412 L CA -0.055 54.749 54.840 -0.061 0.000 0.890 412 L CB 0.067 41.999 42.059 -0.211 0.000 1.103 412 L HN 0.052 nan 8.230 nan 0.000 0.468 413 F N 0.674 120.609 119.950 -0.026 0.000 2.311 413 F HA 0.207 4.765 4.527 0.052 0.000 0.371 413 F C 1.081 176.984 175.800 0.171 0.000 1.083 413 F CA -0.910 57.080 58.000 -0.016 0.000 1.113 413 F CB 0.958 39.899 39.000 -0.099 0.000 1.349 413 F HN -0.087 nan 8.300 nan 0.000 0.470 414 S N 0.866 116.784 115.700 0.363 0.000 2.579 414 S HA 0.032 4.533 4.470 0.051 0.000 0.275 414 S C 1.176 175.950 174.600 0.290 0.000 1.345 414 S CA -0.571 57.788 58.200 0.266 0.000 1.031 414 S CB 1.226 64.537 63.200 0.185 0.000 0.892 414 S HN 0.793 nan 8.310 nan 0.000 0.529 415 E N 0.778 121.106 120.200 0.215 0.000 2.204 415 E HA -0.172 4.209 4.350 0.051 0.000 0.195 415 E C 0.715 177.399 176.600 0.140 0.000 0.990 415 E CA 1.195 57.705 56.400 0.183 0.000 0.821 415 E CB -0.041 29.762 29.700 0.172 0.000 0.750 415 E HN 0.737 nan 8.360 nan 0.000 0.477 416 D N 0.471 120.941 120.400 0.118 0.000 2.144 416 D HA -0.120 4.550 4.640 0.051 0.000 0.200 416 D C 1.123 177.433 176.300 0.016 0.000 0.978 416 D CA 0.995 55.034 54.000 0.065 0.000 0.833 416 D CB -0.008 40.823 40.800 0.051 0.000 0.961 416 D HN 0.207 nan 8.370 nan 0.000 0.470 417 D N -1.608 118.793 120.400 0.002 0.000 2.388 417 D HA 0.031 4.701 4.640 0.051 0.000 0.208 417 D C -0.037 176.000 176.300 -0.439 0.000 1.035 417 D CA 0.288 54.146 54.000 -0.237 0.000 0.875 417 D CB 0.813 41.427 40.800 -0.309 0.000 0.984 417 D HN 0.218 nan 8.370 nan 0.000 0.508 418 Y N -0.181 120.209 120.300 0.151 0.000 2.581 418 Y HA 0.441 5.022 4.550 0.051 0.000 0.345 418 Y C 0.117 176.112 175.900 0.159 0.000 1.036 418 Y CA -1.013 57.209 58.100 0.204 0.000 1.042 418 Y CB 1.603 40.292 38.460 0.381 0.000 1.289 418 Y HN -0.502 nan 8.280 nan 0.000 0.471 419 R N 1.497 122.191 120.500 0.323 0.000 2.275 419 R HA 0.622 4.992 4.340 0.051 0.000 0.326 419 R C -1.646 174.745 176.300 0.151 0.000 0.973 419 R CA -0.560 55.658 56.100 0.197 0.000 0.854 419 R CB 1.121 31.515 30.300 0.157 0.000 1.156 419 R HN 0.359 nan 8.270 nan 0.000 0.487 420 V N 2.594 122.579 119.914 0.119 0.000 2.417 420 V HA 0.725 4.876 4.120 0.051 0.000 0.291 420 V C 0.518 176.660 176.094 0.080 0.000 1.024 420 V CA -0.556 61.779 62.300 0.058 0.000 0.861 420 V CB 1.704 33.562 31.823 0.059 0.000 0.985 420 V HN 0.942 nan 8.190 nan 0.000 0.436 421 G N 2.459 111.324 108.800 0.107 0.000 2.766 421 G HA2 0.783 4.774 3.960 0.051 0.000 0.288 421 G HA3 0.783 4.774 3.960 0.051 0.000 0.288 421 G C -0.704 174.289 174.900 0.155 0.000 1.408 421 G CA -0.342 44.831 45.100 0.121 0.000 0.852 421 G HN 1.010 nan 8.290 nan 0.000 0.487 422 G N -1.030 107.826 108.800 0.092 0.000 2.524 422 G HA2 0.564 4.555 3.960 0.051 0.000 0.310 422 G HA3 0.564 4.555 3.960 0.051 0.000 0.310 422 G C -0.969 173.998 174.900 0.111 0.000 1.279 422 G CA -0.346 44.810 45.100 0.094 0.000 0.974 422 G HN 0.564 nan 8.290 nan 0.000 0.484 423 T N 1.137 115.764 114.554 0.122 0.000 2.770 423 T HA 0.425 4.806 4.350 0.051 0.000 0.283 423 T C -0.053 174.606 174.700 -0.067 0.000 0.988 423 T CA -0.297 61.814 62.100 0.019 0.000 0.957 423 T CB 1.555 70.441 68.868 0.029 0.000 0.930 423 T HN 0.334 nan 8.240 nan 0.000 0.443 424 V N 5.223 125.023 119.914 -0.190 0.000 2.385 424 V HA 0.443 4.594 4.120 0.051 0.000 0.269 424 V C -0.385 175.553 176.094 -0.260 0.000 1.043 424 V CA -0.554 61.662 62.300 -0.140 0.000 0.906 424 V CB -0.423 31.323 31.823 -0.128 0.000 0.995 424 V HN 0.730 nan 8.190 nan 0.000 0.467 425 F N 1.498 121.437 119.950 -0.018 0.000 2.461 425 F HA 0.472 5.030 4.527 0.051 0.000 0.332 425 F C 0.978 176.779 175.800 0.002 0.000 1.073 425 F CA -1.053 56.950 58.000 0.006 0.000 1.017 425 F CB 0.792 39.808 39.000 0.027 0.000 1.301 425 F HN 0.392 nan 8.300 nan 0.000 0.492 426 E N 0.444 120.800 120.200 0.260 0.000 2.413 426 E HA 0.034 4.415 4.350 0.051 0.000 0.263 426 E C 0.815 177.542 176.600 0.210 0.000 1.015 426 E CA 0.055 56.575 56.400 0.200 0.000 0.916 426 E CB 0.567 30.417 29.700 0.250 0.000 0.947 426 E HN 0.473 nan 8.360 nan 0.000 0.440 427 R N 1.784 122.383 120.500 0.165 0.000 2.117 427 R HA -0.211 4.160 4.340 0.051 0.000 0.243 427 R C 1.988 178.452 176.300 0.274 0.000 1.143 427 R CA 1.316 57.533 56.100 0.195 0.000 0.968 427 R CB -0.328 30.077 30.300 0.176 0.000 0.863 427 R HN 0.587 nan 8.270 nan 0.000 0.444 428 F N 1.882 121.919 119.950 0.145 0.000 2.250 428 F HA -0.225 4.330 4.527 0.047 0.000 0.301 428 F C 2.256 178.127 175.800 0.118 0.000 1.077 428 F CA 1.670 59.746 58.000 0.128 0.000 1.348 428 F CB -0.210 38.856 39.000 0.110 0.000 1.040 428 F HN -0.012 nan 8.300 nan 0.000 0.509 429 S N -1.376 114.381 115.700 0.096 0.000 2.555 429 S HA -0.175 4.325 4.470 0.051 0.000 0.230 429 S C 0.460 175.037 174.600 -0.037 0.000 0.978 429 S CA 0.052 58.236 58.200 -0.026 0.000 0.934 429 S CB -1.051 62.172 63.200 0.037 0.000 0.766 429 S HN 0.415 nan 8.310 nan 0.000 0.533 430 Y N 2.868 123.097 120.300 -0.117 0.000 2.434 430 Y HA 0.487 5.069 4.550 0.053 0.000 0.341 430 Y C -0.126 175.703 175.900 -0.118 0.000 0.965 430 Y CA -1.252 56.775 58.100 -0.122 0.000 1.205 430 Y CB 0.573 38.978 38.460 -0.092 0.000 1.121 430 Y HN 0.202 nan 8.280 nan 0.000 0.507 431 Q N 8.221 127.763 119.800 -0.429 0.000 2.656 431 Q HA 0.275 4.646 4.340 0.051 0.000 0.389 431 Q C -2.630 173.133 176.000 -0.396 0.000 0.883 431 Q CA -1.995 53.588 55.803 -0.367 0.000 1.056 431 Q CB 0.892 29.483 28.738 -0.246 0.000 1.391 431 Q HN 0.498 nan 8.270 nan 0.000 0.399 432 P HA 0.059 nan 4.420 nan 0.000 0.274 432 P C -0.245 176.893 177.300 -0.271 0.000 1.231 432 P CA -0.180 62.616 63.100 -0.507 0.000 0.790 432 P CB 1.492 32.767 31.700 -0.709 0.000 0.951 433 V N 4.006 123.782 119.914 -0.231 0.000 2.294 433 V HA 0.213 4.364 4.120 0.051 0.000 0.272 433 V C 1.162 177.184 176.094 -0.120 0.000 1.027 433 V CA 0.132 62.348 62.300 -0.140 0.000 0.823 433 V CB 0.640 32.377 31.823 -0.144 0.000 1.030 433 V HN 0.609 nan 8.190 nan 0.000 0.457 434 K N 2.501 122.871 120.400 -0.050 0.000 2.504 434 K HA 0.272 4.623 4.320 0.051 0.000 0.203 434 K C 0.186 176.799 176.600 0.023 0.000 1.350 434 K CA 0.045 56.320 56.287 -0.020 0.000 0.953 434 K CB 0.820 33.308 32.500 -0.020 0.000 1.243 434 K HN 0.566 nan 8.250 nan 0.000 0.534 435 N N 1.303 120.030 118.700 0.046 0.000 2.405 435 N HA 0.115 4.885 4.740 0.051 0.000 0.299 435 N C -0.539 175.002 175.510 0.052 0.000 1.075 435 N CA -0.397 52.687 53.050 0.057 0.000 0.884 435 N CB 1.753 40.283 38.487 0.072 0.000 1.194 435 N HN 0.008 nan 8.380 nan 0.000 0.491 436 S N 1.032 116.764 115.700 0.053 0.000 2.589 436 S HA 0.120 4.621 4.470 0.051 0.000 0.265 436 S C 1.244 175.886 174.600 0.070 0.000 1.342 436 S CA -0.618 57.613 58.200 0.051 0.000 1.005 436 S CB 0.409 63.637 63.200 0.048 0.000 0.909 436 S HN 0.496 nan 8.310 nan 0.000 0.555 437 L N 0.825 122.086 121.223 0.062 0.000 2.083 437 L HA -0.136 4.235 4.340 0.051 0.000 0.209 437 L C 2.927 179.857 176.870 0.099 0.000 1.083 437 L CA 2.102 56.995 54.840 0.089 0.000 0.752 437 L CB -0.765 41.312 42.059 0.030 0.000 0.899 437 L HN 0.993 nan 8.230 nan 0.000 0.433 438 E N 0.443 120.684 120.200 0.067 0.000 2.072 438 E HA -0.235 4.146 4.350 0.051 0.000 0.190 438 E C 1.756 178.401 176.600 0.075 0.000 0.982 438 E CA 1.218 57.657 56.400 0.065 0.000 0.803 438 E CB -0.194 29.534 29.700 0.046 0.000 0.755 438 E HN 0.493 nan 8.360 nan 0.000 0.453 439 E N 1.045 121.287 120.200 0.071 0.000 2.077 439 E HA -0.187 4.194 4.350 0.051 0.000 0.193 439 E C 2.233 178.878 176.600 0.075 0.000 0.989 439 E CA 1.107 57.547 56.400 0.067 0.000 0.800 439 E CB -0.231 29.505 29.700 0.060 0.000 0.746 439 E HN 0.460 nan 8.360 nan 0.000 0.452 440 A N 1.681 124.561 122.820 0.100 0.000 1.908 440 A HA -0.154 4.197 4.320 0.051 0.000 0.218 440 A C 2.436 180.111 177.584 0.152 0.000 1.181 440 A CA 1.795 53.893 52.037 0.102 0.000 0.627 440 A CB -0.729 18.378 19.000 0.178 0.000 0.818 440 A HN 0.298 nan 8.150 nan 0.000 0.445 441 A N -0.600 122.365 122.820 0.243 0.000 1.933 441 A HA 0.114 4.464 4.320 0.051 0.000 0.218 441 A C 2.382 180.044 177.584 0.130 0.000 1.175 441 A CA 1.955 54.140 52.037 0.247 0.000 0.628 441 A CB -1.292 17.812 19.000 0.173 0.000 0.814 441 A HN 0.723 nan 8.150 nan 0.000 0.444 442 G N -0.383 108.471 108.800 0.089 0.000 2.402 442 G HA2 -0.095 3.895 3.960 0.051 0.000 0.216 442 G HA3 -0.095 3.895 3.960 0.051 0.000 0.216 442 G C 1.571 176.495 174.900 0.040 0.000 1.162 442 G CA 0.900 46.036 45.100 0.060 0.000 0.777 442 G HN 0.412 nan 8.290 nan 0.000 0.539 443 L N 0.209 121.448 121.223 0.026 0.000 1.976 443 L HA -0.109 4.262 4.340 0.051 0.000 0.209 443 L C 3.028 179.877 176.870 -0.035 0.000 1.071 443 L CA 0.784 55.618 54.840 -0.009 0.000 0.746 443 L CB -0.542 41.496 42.059 -0.035 0.000 0.890 443 L HN 0.086 nan 8.230 nan 0.000 0.432 444 V N 0.076 119.953 119.914 -0.061 0.000 2.392 444 V HA -0.304 3.847 4.120 0.051 0.000 0.249 444 V C 2.677 178.765 176.094 -0.009 0.000 1.059 444 V CA 1.702 63.952 62.300 -0.084 0.000 1.051 444 V CB -0.930 30.805 31.823 -0.147 0.000 0.658 444 V HN 0.513 nan 8.190 nan 0.000 0.455 445 A N -0.705 122.133 122.820 0.031 0.000 2.070 445 A HA -0.234 4.117 4.320 0.051 0.000 0.220 445 A C 1.969 179.566 177.584 0.021 0.000 1.159 445 A CA 1.527 53.587 52.037 0.038 0.000 0.656 445 A CB -0.339 18.690 19.000 0.049 0.000 0.800 445 A HN 0.685 nan 8.150 nan 0.000 0.453 446 Q N -1.468 118.339 119.800 0.012 0.000 2.204 446 Q HA 0.358 4.729 4.340 0.051 0.000 0.209 446 Q C 0.781 176.779 176.000 -0.003 0.000 0.861 446 Q CA 0.187 55.995 55.803 0.009 0.000 0.971 446 Q CB 0.355 29.102 28.738 0.015 0.000 1.095 446 Q HN 0.759 nan 8.270 nan 0.000 0.486 447 G N 1.250 110.041 108.800 -0.016 0.000 2.176 447 G HA2 -0.294 3.697 3.960 0.051 0.000 0.252 447 G HA3 -0.294 3.697 3.960 0.051 0.000 0.252 447 G C -0.301 174.573 174.900 -0.043 0.000 1.024 447 G CA 0.294 45.377 45.100 -0.029 0.000 0.755 447 G HN 0.416 nan 8.290 nan 0.000 0.507 448 N N -0.691 117.974 118.700 -0.059 0.000 2.502 448 N HA 0.615 5.386 4.740 0.051 0.000 0.280 448 N C 0.769 176.178 175.510 -0.168 0.000 1.223 448 N CA -0.110 52.897 53.050 -0.071 0.000 0.966 448 N CB 0.686 39.152 38.487 -0.035 0.000 1.203 448 N HN 0.345 nan 8.380 nan 0.000 0.565 449 G N -1.044 107.619 108.800 -0.227 0.000 2.406 449 G HA2 0.360 4.351 3.960 0.051 0.000 0.251 449 G HA3 0.360 4.351 3.960 0.051 0.000 0.251 449 G C 0.560 175.121 174.900 -0.565 0.000 1.271 449 G CA -0.305 44.467 45.100 -0.548 0.000 0.859 449 G HN 0.625 nan 8.290 nan 0.000 0.540 450 A N 2.861 125.323 122.820 -0.598 0.000 1.898 450 A HA 0.195 4.545 4.320 0.051 0.000 0.214 450 A C 0.998 178.457 177.584 -0.208 0.000 1.183 450 A CA 0.595 52.398 52.037 -0.388 0.000 0.622 450 A CB -0.564 18.118 19.000 -0.531 0.000 0.824 450 A HN 1.002 nan 8.150 nan 0.000 0.444 451 Y N -1.200 119.035 120.300 -0.109 0.000 3.054 451 Y HA -0.256 4.326 4.550 0.053 0.000 0.210 451 Y C 0.974 176.827 175.900 -0.078 0.000 1.212 451 Y CA -0.324 57.706 58.100 -0.116 0.000 1.118 451 Y CB -2.951 35.431 38.460 -0.130 0.000 1.292 451 Y HN 0.685 nan 8.280 nan 0.000 0.533 452 C N -3.728 115.612 119.300 0.068 0.000 2.564 452 C HA 0.921 5.412 4.460 0.051 0.000 0.381 452 C C 1.957 176.973 174.990 0.043 0.000 1.297 452 C CA -0.447 58.611 59.018 0.067 0.000 1.846 452 C CB 1.310 29.124 27.740 0.123 0.000 2.198 452 C HN 0.631 nan 8.230 nan 0.000 0.507 453 A N 0.363 123.187 122.820 0.007 0.000 1.933 453 A HA 0.160 4.511 4.320 0.051 0.000 0.218 453 A C 2.280 179.867 177.584 0.005 0.000 1.175 453 A CA 2.497 54.509 52.037 -0.042 0.000 0.628 453 A CB -1.298 17.629 19.000 -0.122 0.000 0.814 453 A HN 1.602 nan 8.150 nan 0.000 0.444 454 A N -0.256 122.616 122.820 0.086 0.000 1.873 454 A HA -0.097 4.254 4.320 0.051 0.000 0.215 454 A C 2.461 180.203 177.584 0.263 0.000 1.186 454 A CA 2.512 54.709 52.037 0.266 0.000 0.616 454 A CB -1.317 17.901 19.000 0.363 0.000 0.823 454 A HN 0.766 nan 8.150 nan 0.000 0.442 455 T N -2.994 111.676 114.554 0.194 0.000 2.942 455 T HA 0.107 4.487 4.350 0.051 0.000 0.265 455 T C 1.898 176.633 174.700 0.058 0.000 1.062 455 T CA 1.409 63.581 62.100 0.120 0.000 1.139 455 T CB -0.733 68.151 68.868 0.027 0.000 0.883 455 T HN 0.386 nan 8.240 nan 0.000 0.468 456 G N 1.346 110.165 108.800 0.031 0.000 2.446 456 G HA2 -0.233 3.758 3.960 0.051 0.000 0.217 456 G HA3 -0.233 3.758 3.960 0.051 0.000 0.217 456 G C 1.455 176.320 174.900 -0.058 0.000 1.168 456 G CA 0.970 46.059 45.100 -0.019 0.000 0.771 456 G HN 0.665 nan 8.290 nan 0.000 0.551 457 E N 0.417 120.583 120.200 -0.057 0.000 2.072 457 E HA 0.026 4.406 4.350 0.051 0.000 0.191 457 E C 2.749 179.220 176.600 -0.215 0.000 0.985 457 E CA 0.983 57.271 56.400 -0.186 0.000 0.801 457 E CB -0.269 29.400 29.700 -0.053 0.000 0.750 457 E HN 0.320 nan 8.360 nan 0.000 0.452 458 A N 1.160 123.992 122.820 0.019 0.000 1.933 458 A HA -0.087 4.263 4.320 0.051 0.000 0.218 458 A C 2.390 180.032 177.584 0.096 0.000 1.175 458 A CA 1.741 53.836 52.037 0.097 0.000 0.628 458 A CB -0.760 18.327 19.000 0.145 0.000 0.814 458 A HN 0.423 nan 8.150 nan 0.000 0.444 459 A N -1.338 121.519 122.820 0.062 0.000 1.930 459 A HA -0.010 4.341 4.320 0.051 0.000 0.217 459 A C 2.013 179.601 177.584 0.007 0.000 1.175 459 A CA 1.485 53.556 52.037 0.055 0.000 0.627 459 A CB -0.670 18.247 19.000 -0.138 0.000 0.815 459 A HN 0.626 nan 8.150 nan 0.000 0.443 460 F N -0.363 119.456 119.950 -0.217 0.000 2.075 460 F HA -0.198 4.357 4.527 0.047 0.000 0.297 460 F C 2.142 177.872 175.800 -0.116 0.000 1.113 460 F CA 1.817 59.663 58.000 -0.256 0.000 1.218 460 F CB -0.407 38.326 39.000 -0.446 0.000 0.984 460 F HN 0.312 nan 8.300 nan 0.000 0.472 461 Y N 0.454 120.799 120.300 0.076 0.000 2.181 461 Y HA -0.195 4.382 4.550 0.045 0.000 0.288 461 Y C 2.526 178.361 175.900 -0.108 0.000 1.146 461 Y CA 1.530 59.597 58.100 -0.055 0.000 1.164 461 Y CB -1.390 37.035 38.460 -0.059 0.000 0.982 461 Y HN 0.189 nan 8.280 nan 0.000 0.515 462 E N 0.545 120.837 120.200 0.154 0.000 2.077 462 E HA -0.186 4.195 4.350 0.051 0.000 0.193 462 E C 2.097 178.794 176.600 0.161 0.000 0.989 462 E CA 0.961 57.445 56.400 0.140 0.000 0.800 462 E CB -0.624 29.222 29.700 0.244 0.000 0.746 462 E HN 0.330 nan 8.360 nan 0.000 0.452 463 L N 0.645 122.024 121.223 0.260 0.000 2.012 463 L HA -0.244 4.126 4.340 0.051 0.000 0.210 463 L C 2.049 178.909 176.870 -0.017 0.000 1.073 463 L CA 1.999 56.962 54.840 0.206 0.000 0.748 463 L CB -0.787 41.267 42.059 -0.008 0.000 0.891 463 L HN 0.154 nan 8.230 nan 0.000 0.431 464 Q N 0.040 119.732 119.800 -0.179 0.000 2.096 464 Q HA -0.221 4.149 4.340 0.051 0.000 0.204 464 Q C 2.364 178.316 176.000 -0.080 0.000 0.982 464 Q CA 1.959 57.669 55.803 -0.154 0.000 0.850 464 Q CB -0.596 28.034 28.738 -0.180 0.000 0.901 464 Q HN 0.600 nan 8.270 nan 0.000 0.422 465 R N 0.358 120.811 120.500 -0.080 0.000 2.081 465 R HA -0.018 4.352 4.340 0.051 0.000 0.235 465 R C 2.463 178.744 176.300 -0.032 0.000 1.131 465 R CA 0.971 57.021 56.100 -0.083 0.000 0.960 465 R CB -0.170 30.035 30.300 -0.159 0.000 0.856 465 R HN 0.231 nan 8.270 nan 0.000 0.436 466 R N 0.109 120.601 120.500 -0.013 0.000 2.075 466 R HA -0.020 4.351 4.340 0.051 0.000 0.232 466 R C 2.350 178.664 176.300 0.023 0.000 1.126 466 R CA 0.946 57.033 56.100 -0.021 0.000 0.963 466 R CB -0.098 30.177 30.300 -0.042 0.000 0.858 466 R HN 0.105 nan 8.270 nan 0.000 0.435 467 R N 0.788 121.307 120.500 0.032 0.000 2.075 467 R HA -0.065 4.306 4.340 0.051 0.000 0.232 467 R C 2.336 178.639 176.300 0.006 0.000 1.126 467 R CA 1.130 57.254 56.100 0.040 0.000 0.963 467 R CB -0.669 29.652 30.300 0.036 0.000 0.858 467 R HN 0.275 nan 8.270 nan 0.000 0.435 468 L N 0.750 121.951 121.223 -0.037 0.000 2.093 468 L HA -0.120 4.250 4.340 0.051 0.000 0.208 468 L C 2.398 179.198 176.870 -0.116 0.000 1.085 468 L CA 1.303 56.086 54.840 -0.096 0.000 0.755 468 L CB -0.315 41.638 42.059 -0.178 0.000 0.904 468 L HN 0.125 nan 8.230 nan 0.000 0.435 469 K N 0.072 120.414 120.400 -0.097 0.000 2.209 469 K HA -0.112 4.239 4.320 0.051 0.000 0.204 469 K C 2.133 178.696 176.600 -0.063 0.000 1.048 469 K CA 1.134 57.358 56.287 -0.106 0.000 0.940 469 K CB -0.188 32.242 32.500 -0.116 0.000 0.729 469 K HN 0.273 nan 8.250 nan 0.000 0.451 470 A N 1.733 124.543 122.820 -0.017 0.000 2.070 470 A HA -0.106 4.245 4.320 0.051 0.000 0.220 470 A C 1.916 179.503 177.584 0.005 0.000 1.159 470 A CA 1.097 53.145 52.037 0.018 0.000 0.656 470 A CB -0.652 18.382 19.000 0.057 0.000 0.800 470 A HN 0.495 nan 8.150 nan 0.000 0.453 471 I N -5.604 114.960 120.570 -0.010 0.000 3.904 471 I HA 0.533 4.734 4.170 0.051 0.000 0.333 471 I C 0.992 177.094 176.117 -0.024 0.000 1.361 471 I CA 0.547 61.846 61.300 -0.001 0.000 1.116 471 I CB 0.098 38.111 38.000 0.023 0.000 1.028 471 I HN 0.282 nan 8.210 nan 0.000 0.398 472 G N 1.803 110.571 108.800 -0.052 0.000 2.163 472 G HA2 -0.226 3.765 3.960 0.051 0.000 0.213 472 G HA3 -0.226 3.765 3.960 0.051 0.000 0.213 472 G C -0.201 174.633 174.900 -0.109 0.000 0.991 472 G CA -0.076 44.986 45.100 -0.063 0.000 0.653 472 G HN 0.327 nan 8.290 nan 0.000 0.518 473 L N 3.030 124.151 121.223 -0.170 0.000 2.477 473 L HA 0.456 4.827 4.340 0.051 0.000 0.272 473 L C -1.444 175.305 176.870 -0.203 0.000 1.157 473 L CA -1.749 52.941 54.840 -0.249 0.000 0.889 473 L CB 0.272 42.093 42.059 -0.398 0.000 1.158 473 L HN 0.024 nan 8.230 nan 0.000 0.473 474 P HA 0.117 nan 4.420 nan 0.000 0.238 474 P C -0.936 176.271 177.300 -0.155 0.000 1.794 474 P CA -0.069 62.948 63.100 -0.137 0.000 1.088 474 P CB -0.141 31.629 31.700 0.117 0.000 1.923 475 L N 3.594 124.660 121.223 -0.262 0.000 2.260 475 L HA 0.387 4.758 4.340 0.051 0.000 0.289 475 L C 0.241 176.951 176.870 -0.268 0.000 1.057 475 L CA -0.568 54.207 54.840 -0.110 0.000 0.811 475 L CB 0.064 42.136 42.059 0.021 0.000 1.184 475 L HN 0.135 nan 8.230 nan 0.000 0.429 476 F N 3.966 123.958 119.950 0.070 0.000 2.444 476 F HA 0.562 5.118 4.527 0.049 0.000 0.342 476 F C -0.158 175.689 175.800 0.079 0.000 1.121 476 F CA -0.642 57.350 58.000 -0.014 0.000 0.997 476 F CB 1.252 40.234 39.000 -0.030 0.000 1.130 476 F HN 0.306 nan 8.300 nan 0.000 0.454 477 Y N -0.229 120.104 120.300 0.055 0.000 2.592 477 Y HA 0.535 5.113 4.550 0.047 0.000 0.334 477 Y C -0.659 175.237 175.900 -0.006 0.000 1.136 477 Y CA -1.625 56.471 58.100 -0.007 0.000 1.042 477 Y CB 0.688 39.118 38.460 -0.051 0.000 1.325 477 Y HN 0.439 nan 8.280 nan 0.000 0.457 478 S N 0.764 116.545 115.700 0.136 0.000 2.572 478 S HA 0.230 4.730 4.470 0.051 0.000 0.279 478 S C 0.913 175.580 174.600 0.112 0.000 1.341 478 S CA 0.129 58.371 58.200 0.070 0.000 1.043 478 S CB 0.442 63.687 63.200 0.074 0.000 0.887 478 S HN 1.084 nan 8.310 nan 0.000 0.516 479 S N 2.875 118.600 115.700 0.042 0.000 2.548 479 S HA 0.159 4.660 4.470 0.051 0.000 0.215 479 S C 0.467 175.114 174.600 0.078 0.000 0.976 479 S CA -0.344 57.894 58.200 0.064 0.000 0.908 479 S CB -0.107 63.094 63.200 0.003 0.000 0.781 479 S HN 0.750 nan 8.310 nan 0.000 0.519 480 Q N 3.072 122.916 119.800 0.074 0.000 2.392 480 Q HA 0.288 4.659 4.340 0.051 0.000 0.262 480 Q C -2.386 173.667 176.000 0.088 0.000 1.003 480 Q CA -1.534 54.312 55.803 0.073 0.000 0.888 480 Q CB -0.053 28.724 28.738 0.065 0.000 1.260 480 Q HN 0.282 nan 8.270 nan 0.000 0.435 481 P HA 0.057 nan 4.420 nan 0.000 0.272 481 P C -0.445 176.903 177.300 0.080 0.000 1.223 481 P CA 0.099 63.251 63.100 0.087 0.000 0.784 481 P CB 0.758 32.513 31.700 0.092 0.000 0.923 482 E N -0.344 119.899 120.200 0.073 0.000 2.473 482 E HA 0.208 4.588 4.350 0.051 0.000 0.204 482 E C 0.029 176.662 176.600 0.055 0.000 0.994 482 E CA -0.044 56.406 56.400 0.083 0.000 0.945 482 E CB 0.939 30.718 29.700 0.131 0.000 0.990 482 E HN 0.132 nan 8.360 nan 0.000 0.493 483 V N 1.178 121.104 119.914 0.021 0.000 2.932 483 V HA 0.336 4.486 4.120 0.051 0.000 0.307 483 V C -1.247 174.855 176.094 0.013 0.000 1.147 483 V CA -0.600 61.708 62.300 0.015 0.000 0.951 483 V CB 2.227 34.027 31.823 -0.038 0.000 1.031 483 V HN 0.201 nan 8.190 nan 0.000 0.426 484 T N 3.264 117.823 114.554 0.009 0.000 2.824 484 T HA 0.820 5.201 4.350 0.051 0.000 0.280 484 T C -0.409 174.234 174.700 -0.095 0.000 0.995 484 T CA -0.283 61.791 62.100 -0.044 0.000 1.009 484 T CB 1.432 70.284 68.868 -0.027 0.000 0.955 484 T HN 1.460 nan 8.240 nan 0.000 0.452 485 V N -0.727 119.025 119.914 -0.270 0.000 3.046 485 V HA 0.921 5.071 4.120 0.051 0.000 0.316 485 V C 0.519 176.370 176.094 -0.405 0.000 1.104 485 V CA -0.905 61.218 62.300 -0.294 0.000 1.006 485 V CB 0.529 32.198 31.823 -0.257 0.000 1.058 485 V HN 2.223 nan 8.190 nan 0.000 0.440 486 A N 1.916 124.597 122.820 -0.232 0.000 2.546 486 A HA -0.108 4.242 4.320 0.051 0.000 0.295 486 A C 0.646 178.167 177.584 -0.104 0.000 1.455 486 A CA 0.846 52.791 52.037 -0.154 0.000 0.730 486 A CB -2.025 16.874 19.000 -0.168 0.000 1.111 486 A HN 1.498 nan 8.150 nan 0.000 0.411 487 K N -0.044 120.316 120.400 -0.066 0.000 3.311 487 K HA -0.238 4.112 4.320 0.051 0.000 0.270 487 K C 0.126 176.707 176.600 -0.032 0.000 0.927 487 K CA 1.253 57.520 56.287 -0.033 0.000 0.706 487 K CB -1.375 31.119 32.500 -0.011 0.000 1.418 487 K HN 1.218 nan 8.250 nan 0.000 0.459 488 D N -2.866 117.502 120.400 -0.053 0.000 2.945 488 D HA -0.245 4.426 4.640 0.051 0.000 0.225 488 D C 1.021 177.310 176.300 -0.019 0.000 1.158 488 D CA 1.319 55.299 54.000 -0.034 0.000 0.805 488 D CB -1.022 39.776 40.800 -0.003 0.000 1.098 488 D HN 0.611 nan 8.370 nan 0.000 0.426 489 A N -0.627 122.162 122.820 -0.053 0.000 1.874 489 A HA 0.319 4.670 4.320 0.051 0.000 0.214 489 A C 0.828 178.522 177.584 0.182 0.000 1.189 489 A CA 1.552 53.626 52.037 0.061 0.000 0.615 489 A CB 0.028 19.096 19.000 0.113 0.000 0.830 489 A HN 0.450 nan 8.150 nan 0.000 0.443 490 F N -4.372 115.598 119.950 0.035 0.000 2.713 490 F HA 0.704 5.278 4.527 0.079 0.000 0.311 490 F C -0.174 175.656 175.800 0.048 0.000 1.141 490 F CA -0.855 57.166 58.000 0.035 0.000 0.939 490 F CB 0.702 39.718 39.000 0.027 0.000 1.325 490 F HN 0.176 nan 8.300 nan 0.000 0.453 491 G N 0.286 109.225 108.800 0.232 0.000 2.454 491 G HA2 0.718 4.709 3.960 0.051 0.000 0.329 491 G HA3 0.718 4.709 3.960 0.051 0.000 0.329 491 G C -1.342 173.707 174.900 0.248 0.000 1.177 491 G CA -0.624 44.560 45.100 0.140 0.000 0.951 491 G HN 1.464 nan 8.290 nan 0.000 0.485 492 V N -1.436 118.574 119.914 0.161 0.000 3.126 492 V HA 0.950 5.100 4.120 0.051 0.000 0.314 492 V C -0.383 175.749 176.094 0.064 0.000 1.138 492 V CA -1.344 61.045 62.300 0.149 0.000 1.034 492 V CB 1.830 33.760 31.823 0.179 0.000 1.075 492 V HN 1.174 nan 8.190 nan 0.000 0.442 493 R N 1.231 121.774 120.500 0.071 0.000 2.854 493 R HA 0.772 5.142 4.340 0.051 0.000 0.271 493 R C -0.861 175.451 176.300 0.020 0.000 0.996 493 R CA -0.874 55.255 56.100 0.049 0.000 0.961 493 R CB 2.089 32.446 30.300 0.095 0.000 1.182 493 R HN 0.706 nan 8.270 nan 0.000 0.479 494 L N 0.046 121.241 121.223 -0.045 0.000 2.600 494 L HA 0.380 4.751 4.340 0.051 0.000 0.213 494 L C -0.081 176.549 176.870 -0.400 0.000 1.045 494 L CA -0.204 54.530 54.840 -0.177 0.000 0.863 494 L CB 0.253 42.047 42.059 -0.441 0.000 1.189 494 L HN 0.455 nan 8.230 nan 0.000 0.484 495 F N 1.829 121.688 119.950 -0.152 0.000 2.371 495 F HA 0.338 4.885 4.527 0.032 0.000 0.329 495 F C -1.907 173.708 175.800 -0.308 0.000 1.107 495 F CA -2.451 55.417 58.000 -0.220 0.000 1.137 495 F CB 0.057 38.986 39.000 -0.118 0.000 1.214 495 F HN -0.218 nan 8.300 nan 0.000 0.536 496 P HA 0.231 nan 4.420 nan 0.000 0.278 496 P C -0.634 176.492 177.300 -0.289 0.000 1.238 496 P CA -0.015 63.021 63.100 -0.107 0.000 0.794 496 P CB 1.116 32.720 31.700 -0.160 0.000 0.955 497 I N 3.766 124.142 120.570 -0.324 0.000 2.304 497 I HA 0.329 4.530 4.170 0.051 0.000 0.291 497 I C 0.323 176.273 176.117 -0.278 0.000 1.018 497 I CA -0.403 60.570 61.300 -0.546 0.000 1.260 497 I CB 0.408 37.932 38.000 -0.794 0.000 1.390 497 I HN 0.125 nan 8.210 nan 0.000 0.475 498 I N 7.402 127.880 120.570 -0.153 0.000 2.468 498 I HA 0.352 4.553 4.170 0.051 0.000 0.284 498 I C -0.905 175.247 176.117 0.059 0.000 1.038 498 I CA -0.599 60.671 61.300 -0.051 0.000 1.083 498 I CB 1.849 39.816 38.000 -0.055 0.000 1.223 498 I HN 0.142 nan 8.210 nan 0.000 0.443 499 V N 7.221 127.192 119.914 0.095 0.000 2.443 499 V HA 0.466 4.616 4.120 0.051 0.000 0.293 499 V C -0.200 175.979 176.094 0.141 0.000 1.021 499 V CA -0.506 61.907 62.300 0.189 0.000 0.848 499 V CB 1.848 33.836 31.823 0.276 0.000 0.998 499 V HN 0.469 nan 8.190 nan 0.000 0.424 500 L N 4.684 125.994 121.223 0.145 0.000 2.296 500 L HA 0.592 4.963 4.340 0.051 0.000 0.286 500 L C 0.190 177.129 176.870 0.116 0.000 1.023 500 L CA -0.731 54.173 54.840 0.106 0.000 0.812 500 L CB 1.589 43.706 42.059 0.097 0.000 1.223 500 L HN 0.717 nan 8.230 nan 0.000 0.421 501 D N 0.301 120.751 120.400 0.083 0.000 2.414 501 D HA 0.017 4.687 4.640 0.051 0.000 0.251 501 D C 1.148 177.489 176.300 0.067 0.000 1.252 501 D CA -0.031 54.017 54.000 0.080 0.000 0.999 501 D CB 0.659 41.493 40.800 0.055 0.000 1.093 501 D HN 0.656 nan 8.370 nan 0.000 0.515 502 T N -2.609 111.978 114.554 0.054 0.000 2.951 502 T HA -0.068 4.313 4.350 0.051 0.000 0.268 502 T C 1.901 176.612 174.700 0.018 0.000 1.073 502 T CA 0.960 63.087 62.100 0.046 0.000 1.134 502 T CB -0.640 68.245 68.868 0.028 0.000 0.884 502 T HN 0.225 nan 8.240 nan 0.000 0.479 503 V N 0.811 120.730 119.914 0.009 0.000 2.358 503 V HA -0.130 4.021 4.120 0.051 0.000 0.246 503 V C 3.059 179.150 176.094 -0.005 0.000 1.047 503 V CA 1.386 63.684 62.300 -0.003 0.000 1.035 503 V CB -0.960 30.861 31.823 -0.003 0.000 0.658 503 V HN 0.773 nan 8.190 nan 0.000 0.452 504 C N 0.542 119.842 119.300 -0.001 0.000 2.462 504 C HA -0.006 4.485 4.460 0.051 0.000 0.278 504 C C 2.759 177.743 174.990 -0.011 0.000 1.253 504 C CA 1.149 60.155 59.018 -0.019 0.000 1.713 504 C CB -0.945 26.782 27.740 -0.021 0.000 2.049 504 C HN 0.545 nan 8.230 nan 0.000 0.477 505 A N -1.209 121.626 122.820 0.025 0.000 2.308 505 A HA 0.385 4.735 4.320 0.051 0.000 0.217 505 A C 1.304 178.922 177.584 0.058 0.000 1.216 505 A CA 1.516 53.582 52.037 0.049 0.000 0.864 505 A CB -0.424 18.628 19.000 0.087 0.000 0.902 505 A HN 0.949 nan 8.150 nan 0.000 0.499 506 S N -0.458 115.264 115.700 0.036 0.000 4.112 506 S HA -0.350 4.151 4.470 0.051 0.000 0.602 506 S C 1.832 176.465 174.600 0.055 0.000 1.939 506 S CA 3.214 61.425 58.200 0.019 0.000 4.230 506 S CB -1.641 61.562 63.200 0.006 0.000 0.245 506 S HN 1.821 nan 8.310 nan 0.000 0.530 507 S N 1.144 116.879 115.700 0.058 0.000 2.489 507 S HA 0.363 4.864 4.470 0.051 0.000 0.228 507 S C 1.900 176.700 174.600 0.335 0.000 0.995 507 S CA 1.249 59.535 58.200 0.144 0.000 0.934 507 S CB -0.113 63.134 63.200 0.080 0.000 0.771 507 S HN 2.488 nan 8.310 nan 0.000 0.522 508 G N 1.289 110.211 108.800 0.204 0.000 2.176 508 G HA2 -0.291 3.700 3.960 0.051 0.000 0.253 508 G HA3 -0.291 3.700 3.960 0.051 0.000 0.253 508 G C 0.256 175.244 174.900 0.147 0.000 0.979 508 G CA 0.352 45.557 45.100 0.176 0.000 0.641 508 G HN 1.451 nan 8.290 nan 0.000 0.530 509 S N -0.446 115.340 115.700 0.144 0.000 2.580 509 S HA 0.521 5.022 4.470 0.051 0.000 0.266 509 S C 1.752 176.407 174.600 0.091 0.000 1.354 509 S CA 0.076 58.345 58.200 0.115 0.000 1.008 509 S CB 0.965 64.225 63.200 0.100 0.000 0.898 509 S HN 0.489 nan 8.310 nan 0.000 0.555 510 L N 0.339 121.610 121.223 0.079 0.000 2.083 510 L HA -0.097 4.274 4.340 0.051 0.000 0.209 510 L C 2.186 179.095 176.870 0.064 0.000 1.083 510 L CA 1.409 56.290 54.840 0.069 0.000 0.752 510 L CB -0.745 41.349 42.059 0.058 0.000 0.899 510 L HN 0.655 nan 8.230 nan 0.000 0.433 511 D N 0.085 120.518 120.400 0.056 0.000 2.117 511 D HA -0.178 4.493 4.640 0.051 0.000 0.197 511 D C 1.808 178.137 176.300 0.048 0.000 0.987 511 D CA 1.155 55.182 54.000 0.046 0.000 0.829 511 D CB -0.190 40.632 40.800 0.037 0.000 0.961 511 D HN 0.237 nan 8.370 nan 0.000 0.460 512 D N 0.007 120.439 120.400 0.054 0.000 2.144 512 D HA -0.088 4.583 4.640 0.051 0.000 0.199 512 D C 2.270 178.605 176.300 0.059 0.000 0.984 512 D CA 0.401 54.431 54.000 0.050 0.000 0.834 512 D CB -0.166 40.669 40.800 0.058 0.000 0.955 512 D HN 0.257 nan 8.370 nan 0.000 0.465 513 L N 0.382 121.657 121.223 0.086 0.000 2.109 513 L HA -0.033 4.338 4.340 0.051 0.000 0.207 513 L C 2.467 179.433 176.870 0.161 0.000 1.086 513 L CA 0.819 55.738 54.840 0.131 0.000 0.760 513 L CB -0.409 41.735 42.059 0.141 0.000 0.910 513 L HN -0.041 nan 8.230 nan 0.000 0.437 514 A N 0.206 123.094 122.820 0.114 0.000 2.019 514 A HA -0.201 4.150 4.320 0.051 0.000 0.219 514 A C 2.350 179.975 177.584 0.069 0.000 1.164 514 A CA 1.360 53.460 52.037 0.105 0.000 0.644 514 A CB -0.436 18.604 19.000 0.067 0.000 0.805 514 A HN 0.310 nan 8.150 nan 0.000 0.449 515 R N -0.901 119.620 120.500 0.034 0.000 2.115 515 R HA -0.028 4.342 4.340 0.051 0.000 0.226 515 R C 1.880 178.142 176.300 -0.063 0.000 1.100 515 R CA 1.274 57.370 56.100 -0.007 0.000 0.980 515 R CB -0.268 30.026 30.300 -0.010 0.000 0.875 515 R HN 0.400 nan 8.270 nan 0.000 0.445 516 V N -0.264 119.588 119.914 -0.103 0.000 2.453 516 V HA -0.105 4.045 4.120 0.051 0.000 0.247 516 V C 0.471 176.240 176.094 -0.540 0.000 1.048 516 V CA 1.302 63.396 62.300 -0.344 0.000 1.049 516 V CB -0.181 31.374 31.823 -0.447 0.000 0.672 516 V HN 0.112 nan 8.190 nan 0.000 0.457 517 F N 0.308 120.241 119.950 -0.028 0.000 2.453 517 F HA 0.404 4.962 4.527 0.051 0.000 0.358 517 F C -1.735 174.048 175.800 -0.030 0.000 1.129 517 F CA -1.998 55.980 58.000 -0.037 0.000 1.200 517 F CB 0.935 39.908 39.000 -0.045 0.000 1.431 517 F HN 0.054 nan 8.300 nan 0.000 0.503 518 P HA -0.065 nan 4.420 nan 0.000 0.219 518 P C 0.532 177.864 177.300 0.054 0.000 1.150 518 P CA 1.229 64.359 63.100 0.050 0.000 0.814 518 P CB 0.123 31.832 31.700 0.014 0.000 0.787 519 T N -4.728 109.863 114.554 0.062 0.000 3.401 519 T HA 0.352 4.733 4.350 0.051 0.000 0.341 519 T C -2.387 172.336 174.700 0.038 0.000 1.674 519 T CA -2.041 60.084 62.100 0.042 0.000 1.600 519 T CB 1.046 69.931 68.868 0.028 0.000 0.974 519 T HN -0.058 nan 8.240 nan 0.000 0.672 520 P HA -0.112 nan 4.420 nan 0.000 0.220 520 P C 1.576 178.819 177.300 -0.096 0.000 1.148 520 P CA 0.956 64.043 63.100 -0.021 0.000 0.803 520 P CB 0.205 31.874 31.700 -0.052 0.000 0.782 521 E N 1.074 121.242 120.200 -0.053 0.000 2.463 521 E HA -0.162 4.219 4.350 0.051 0.000 0.201 521 E C 0.890 177.422 176.600 -0.114 0.000 1.045 521 E CA 0.978 57.352 56.400 -0.044 0.000 0.872 521 E CB -0.753 28.962 29.700 0.024 0.000 0.797 521 E HN 0.358 nan 8.360 nan 0.000 0.538 522 K N 0.618 120.928 120.400 -0.150 0.000 2.373 522 K HA 0.241 4.592 4.320 0.051 0.000 0.202 522 K C -0.354 176.027 176.600 -0.365 0.000 1.025 522 K CA -0.093 56.090 56.287 -0.173 0.000 1.115 522 K CB 1.373 33.860 32.500 -0.022 0.000 0.858 522 K HN -0.107 nan 8.250 nan 0.000 0.525 523 V N 2.798 122.420 119.914 -0.486 0.000 2.334 523 V HA 0.171 4.322 4.120 0.051 0.000 0.281 523 V C -0.640 175.160 176.094 -0.490 0.000 1.016 523 V CA -0.823 61.271 62.300 -0.343 0.000 0.832 523 V CB 0.951 32.708 31.823 -0.111 0.000 0.999 523 V HN 0.262 nan 8.190 nan 0.000 0.439 524 H N 5.833 124.888 119.070 -0.024 0.000 2.786 524 H HA 0.488 5.074 4.556 0.050 0.000 0.284 524 H C -0.539 174.708 175.328 -0.135 0.000 1.104 524 H CA -0.370 55.647 56.048 -0.051 0.000 1.339 524 H CB 1.482 31.232 29.762 -0.019 0.000 1.427 524 H HN 0.485 nan 8.280 nan 0.000 0.497 525 I N 2.663 123.198 120.570 -0.057 0.000 2.328 525 I HA 0.026 4.227 4.170 0.051 0.000 0.287 525 I C 0.570 176.591 176.117 -0.159 0.000 1.012 525 I CA -0.605 60.613 61.300 -0.135 0.000 1.195 525 I CB 1.110 39.037 38.000 -0.121 0.000 1.350 525 I HN 0.423 nan 8.210 nan 0.000 0.464 526 D N 4.509 124.715 120.400 -0.323 0.000 2.400 526 D HA -0.051 4.620 4.640 0.051 0.000 0.238 526 D C 1.428 177.653 176.300 -0.126 0.000 1.157 526 D CA -0.005 53.833 54.000 -0.270 0.000 0.889 526 D CB 0.972 41.494 40.800 -0.463 0.000 1.199 526 D HN 0.616 nan 8.370 nan 0.000 0.436 527 Q N 1.357 121.093 119.800 -0.107 0.000 2.368 527 Q HA -0.236 4.135 4.340 0.051 0.000 0.210 527 Q C 0.495 176.335 176.000 -0.267 0.000 0.982 527 Q CA 1.565 57.267 55.803 -0.167 0.000 0.884 527 Q CB -0.294 28.335 28.738 -0.181 0.000 0.933 527 Q HN 0.659 nan 8.270 nan 0.000 0.460 528 H N -0.397 118.653 119.070 -0.033 0.000 2.586 528 H HA 0.324 4.906 4.556 0.044 0.000 0.273 528 H C 0.005 175.217 175.328 -0.193 0.000 0.997 528 H CA -0.162 55.784 56.048 -0.170 0.000 1.177 528 H CB 0.866 30.522 29.762 -0.177 0.000 1.471 528 H HN 0.087 nan 8.280 nan 0.000 0.538 529 S N 0.383 116.082 115.700 -0.002 0.000 2.632 529 S HA 0.323 4.824 4.470 0.051 0.000 0.267 529 S C 0.298 174.878 174.600 -0.034 0.000 1.276 529 S CA -0.441 57.730 58.200 -0.047 0.000 0.998 529 S CB 1.292 64.433 63.200 -0.099 0.000 0.953 529 S HN 0.189 nan 8.310 nan 0.000 0.547 530 T N 2.278 116.710 114.554 -0.203 0.000 2.841 530 T HA 0.511 4.892 4.350 0.051 0.000 0.285 530 T C -1.297 173.206 174.700 -0.328 0.000 0.991 530 T CA -0.428 61.443 62.100 -0.382 0.000 0.966 530 T CB 1.039 69.335 68.868 -0.952 0.000 0.962 530 T HN 0.323 nan 8.240 nan 0.000 0.438 531 L N 5.352 126.436 121.223 -0.232 0.000 2.372 531 L HA 0.616 4.987 4.340 0.051 0.000 0.273 531 L C -1.492 175.323 176.870 -0.092 0.000 0.989 531 L CA -0.696 54.065 54.840 -0.132 0.000 0.841 531 L CB 0.740 42.766 42.059 -0.055 0.000 1.225 531 L HN 0.509 nan 8.230 nan 0.000 0.414 532 I N 6.319 126.843 120.570 -0.078 0.000 2.378 532 I HA 0.488 4.688 4.170 0.051 0.000 0.291 532 I C -0.501 175.619 176.117 0.006 0.000 0.992 532 I CA -0.637 60.656 61.300 -0.012 0.000 1.154 532 I CB 1.744 39.751 38.000 0.012 0.000 1.315 532 I HN 0.252 nan 8.210 nan 0.000 0.448 533 V N 6.499 126.426 119.914 0.023 0.000 2.483 533 V HA 0.445 4.596 4.120 0.051 0.000 0.297 533 V C -0.250 175.854 176.094 0.016 0.000 1.027 533 V CA -0.688 61.613 62.300 0.002 0.000 0.855 533 V CB 2.129 33.937 31.823 -0.026 0.000 0.995 533 V HN 0.687 nan 8.190 nan 0.000 0.424 534 E N 2.716 122.925 120.200 0.014 0.000 2.248 534 E HA 0.727 5.108 4.350 0.051 0.000 0.267 534 E C 0.343 176.951 176.600 0.014 0.000 0.877 534 E CA -0.110 56.303 56.400 0.022 0.000 0.759 534 E CB 2.358 32.077 29.700 0.033 0.000 1.182 534 E HN 1.105 nan 8.360 nan 0.000 0.418 535 G N 2.080 110.886 108.800 0.010 0.000 2.681 535 G HA2 -0.244 3.746 3.960 0.051 0.000 0.220 535 G HA3 -0.244 3.746 3.960 0.051 0.000 0.220 535 G C -0.651 174.246 174.900 -0.005 0.000 1.353 535 G CA -0.922 44.183 45.100 0.008 0.000 0.872 535 G HN 0.422 nan 8.290 nan 0.000 0.557 536 R N 0.043 120.543 120.500 0.001 0.000 2.351 536 R HA 0.397 4.768 4.340 0.051 0.000 0.321 536 R C -0.211 176.079 176.300 -0.016 0.000 1.182 536 R CA 0.078 56.172 56.100 -0.010 0.000 1.011 536 R CB 0.032 30.333 30.300 0.002 0.000 1.048 536 R HN 0.500 nan 8.270 nan 0.000 0.490 537 V N 5.382 125.254 119.914 -0.070 0.000 2.709 537 V HA 0.509 4.660 4.120 0.051 0.000 0.308 537 V C 0.073 176.053 176.094 -0.190 0.000 1.062 537 V CA -0.798 61.419 62.300 -0.138 0.000 0.901 537 V CB 2.755 34.469 31.823 -0.182 0.000 1.003 537 V HN 0.487 nan 8.190 nan 0.000 0.425 538 I N 4.938 125.386 120.570 -0.203 0.000 2.436 538 I HA 0.525 4.726 4.170 0.051 0.000 0.289 538 I C -0.810 175.151 176.117 -0.260 0.000 1.010 538 I CA -0.434 60.731 61.300 -0.225 0.000 1.098 538 I CB 2.027 39.948 38.000 -0.131 0.000 1.266 538 I HN 0.427 nan 8.210 nan 0.000 0.434 539 I N 6.091 126.450 120.570 -0.350 0.000 2.359 539 I HA 0.246 4.447 4.170 0.051 0.000 0.284 539 I C 0.927 176.988 176.117 -0.092 0.000 1.018 539 I CA -0.174 60.983 61.300 -0.238 0.000 1.173 539 I CB 1.176 39.016 38.000 -0.267 0.000 1.326 539 I HN 0.682 nan 8.210 nan 0.000 0.462 540 E N 3.368 123.541 120.200 -0.045 0.000 2.086 540 E HA -0.001 4.380 4.350 0.051 0.000 0.190 540 E C 0.170 176.785 176.600 0.025 0.000 0.975 540 E CA 0.664 57.065 56.400 0.001 0.000 0.813 540 E CB 0.338 30.036 29.700 -0.004 0.000 0.768 540 E HN 0.687 nan 8.360 nan 0.000 0.457 541 S N 0.161 115.872 115.700 0.018 0.000 2.562 541 S HA 0.577 5.077 4.470 0.051 0.000 0.274 541 S C -1.233 173.383 174.600 0.027 0.000 1.160 541 S CA -1.062 57.150 58.200 0.020 0.000 0.933 541 S CB 1.996 65.212 63.200 0.027 0.000 1.100 541 S HN 0.081 nan 8.310 nan 0.000 0.468 542 L N 0.803 122.042 121.223 0.027 0.000 2.611 542 L HA 0.612 4.983 4.340 0.051 0.000 0.260 542 L C -1.511 175.397 176.870 0.063 0.000 0.924 542 L CA -0.127 54.738 54.840 0.041 0.000 0.901 542 L CB 2.024 44.105 42.059 0.038 0.000 1.369 542 L HN 0.940 nan 8.230 nan 0.000 0.415 543 E N 3.724 123.980 120.200 0.093 0.000 2.129 543 E HA 0.547 4.927 4.350 0.051 0.000 0.268 543 E C -1.716 174.927 176.600 0.072 0.000 0.900 543 E CA -0.760 55.713 56.400 0.121 0.000 0.755 543 E CB 1.838 31.645 29.700 0.178 0.000 1.117 543 E HN 0.529 nan 8.360 nan 0.000 0.410 544 L N 5.079 126.281 121.223 -0.035 0.000 2.372 544 L HA 0.362 4.732 4.340 0.051 0.000 0.273 544 L C -1.967 174.787 176.870 -0.194 0.000 0.989 544 L CA -0.501 54.305 54.840 -0.056 0.000 0.841 544 L CB 0.756 42.776 42.059 -0.066 0.000 1.225 544 L HN 0.455 nan 8.230 nan 0.000 0.414 545 Y N 5.253 125.564 120.300 0.017 0.000 2.787 545 Y HA 0.752 5.331 4.550 0.049 0.000 0.352 545 Y C 0.736 176.632 175.900 -0.005 0.000 1.027 545 Y CA 0.184 58.293 58.100 0.015 0.000 1.219 545 Y CB 1.261 39.732 38.460 0.018 0.000 1.110 545 Y HN 0.851 nan 8.280 nan 0.000 0.614 546 G N 0.589 109.430 108.800 0.069 0.000 2.302 546 G HA2 0.434 4.425 3.960 0.051 0.000 0.264 546 G HA3 0.434 4.425 3.960 0.051 0.000 0.264 546 G C -1.771 173.083 174.900 -0.077 0.000 1.335 546 G CA -0.380 44.731 45.100 0.018 0.000 0.982 546 G HN 0.573 nan 8.290 nan 0.000 0.473 547 A N -0.865 121.889 122.820 -0.109 0.000 2.337 547 A HA 0.939 5.290 4.320 0.051 0.000 0.329 547 A C -0.975 176.531 177.584 -0.129 0.000 1.146 547 A CA -0.402 51.482 52.037 -0.254 0.000 0.800 547 A CB 1.714 20.407 19.000 -0.511 0.000 1.220 547 A HN 2.193 nan 8.150 nan 0.000 0.472 548 L N 1.253 122.386 121.223 -0.149 0.000 2.493 548 L HA 0.669 5.040 4.340 0.051 0.000 0.265 548 L C -0.745 176.089 176.870 -0.060 0.000 0.954 548 L CA 0.264 55.066 54.840 -0.064 0.000 0.844 548 L CB 2.377 44.410 42.059 -0.042 0.000 1.302 548 L HN 0.600 nan 8.230 nan 0.000 0.405 549 T N 6.160 120.710 114.554 -0.007 0.000 2.797 549 T HA 0.680 5.061 4.350 0.051 0.000 0.279 549 T C -0.322 174.390 174.700 0.020 0.000 0.991 549 T CA -0.117 61.990 62.100 0.012 0.000 0.979 549 T CB 0.872 69.770 68.868 0.051 0.000 0.943 549 T HN 0.446 nan 8.240 nan 0.000 0.444 550 I N 3.613 124.187 120.570 0.007 0.000 2.389 550 I HA 0.471 4.672 4.170 0.051 0.000 0.288 550 I C 0.155 176.289 176.117 0.028 0.000 0.999 550 I CA -0.878 60.425 61.300 0.007 0.000 1.129 550 I CB 1.556 39.510 38.000 -0.076 0.000 1.288 550 I HN 0.329 nan 8.210 nan 0.000 0.444 551 R N 4.174 124.727 120.500 0.087 0.000 2.562 551 R HA 0.748 5.119 4.340 0.051 0.000 0.298 551 R C -0.071 176.325 176.300 0.160 0.000 0.961 551 R CA -0.688 55.465 56.100 0.088 0.000 0.881 551 R CB 2.401 32.742 30.300 0.068 0.000 1.159 551 R HN 0.798 nan 8.270 nan 0.000 0.450 552 G N 2.047 110.910 108.800 0.106 0.000 3.042 552 G HA2 0.514 4.505 3.960 0.051 0.000 0.278 552 G HA3 0.514 4.505 3.960 0.051 0.000 0.278 552 G C -2.717 172.216 174.900 0.055 0.000 1.371 552 G CA -1.676 43.496 45.100 0.120 0.000 1.009 552 G HN 0.233 nan 8.290 nan 0.000 0.523 553 P HA 0.066 nan 4.420 nan 0.000 0.261 553 P C 1.216 178.523 177.300 0.012 0.000 1.183 553 P CA 0.377 63.487 63.100 0.017 0.000 0.761 553 P CB 0.793 32.501 31.700 0.012 0.000 0.785 554 T N -0.850 113.708 114.554 0.007 0.000 2.962 554 T HA -0.132 4.248 4.350 0.051 0.000 0.270 554 T C 0.655 175.354 174.700 -0.002 0.000 1.088 554 T CA 0.496 62.597 62.100 0.003 0.000 1.127 554 T CB -0.591 68.278 68.868 0.001 0.000 0.883 554 T HN 0.322 nan 8.240 nan 0.000 0.493 555 D N 2.313 122.711 120.400 -0.003 0.000 2.346 555 D HA 0.146 4.817 4.640 0.051 0.000 0.260 555 D C 1.479 177.774 176.300 -0.007 0.000 1.252 555 D CA 0.374 54.370 54.000 -0.006 0.000 0.895 555 D CB 1.060 41.857 40.800 -0.005 0.000 1.097 555 D HN 0.303 nan 8.370 nan 0.000 0.489 556 S N 3.576 119.269 115.700 -0.011 0.000 2.419 556 S HA -0.221 4.280 4.470 0.051 0.000 0.235 556 S C 1.554 176.146 174.600 -0.012 0.000 1.019 556 S CA 0.837 59.029 58.200 -0.014 0.000 0.982 556 S CB -0.349 62.840 63.200 -0.020 0.000 0.789 556 S HN 0.666 nan 8.310 nan 0.000 0.490 557 M N 1.396 120.990 119.600 -0.010 0.000 2.493 557 M HA 0.431 4.941 4.480 0.051 0.000 0.244 557 M C 0.603 176.899 176.300 -0.007 0.000 1.182 557 M CA -0.142 55.152 55.300 -0.009 0.000 0.981 557 M CB -0.068 32.527 32.600 -0.009 0.000 1.551 557 M HN 0.400 nan 8.290 nan 0.000 0.476 558 A N 1.083 123.900 122.820 -0.005 0.000 2.256 558 A HA 0.709 5.059 4.320 0.051 0.000 0.318 558 A C -0.136 177.448 177.584 0.000 0.000 1.103 558 A CA -0.696 51.340 52.037 -0.002 0.000 0.860 558 A CB 0.610 19.609 19.000 -0.000 0.000 1.182 558 A HN 0.418 nan 8.150 nan 0.000 0.501 559 L N 2.616 123.840 121.223 0.002 0.000 2.562 559 L HA 0.186 4.556 4.340 0.051 0.000 0.271 559 L C -1.611 175.269 176.870 0.016 0.000 1.167 559 L CA -1.144 53.700 54.840 0.005 0.000 0.917 559 L CB 0.142 42.203 42.059 0.004 0.000 1.187 559 L HN 0.525 nan 8.230 nan 0.000 0.482 560 P HA -0.064 nan 4.420 nan 0.000 0.268 560 P C -0.657 176.689 177.300 0.076 0.000 1.205 560 P CA -0.075 63.041 63.100 0.026 0.000 0.771 560 P CB 0.404 32.102 31.700 -0.005 0.000 0.858 561 H N 2.175 121.226 119.070 -0.032 0.000 2.955 561 H HA 0.255 4.842 4.556 0.051 0.000 0.290 561 H C -0.816 174.489 175.328 -0.039 0.000 1.047 561 H CA -0.654 55.376 56.048 -0.029 0.000 1.484 561 H CB 0.439 30.186 29.762 -0.026 0.000 1.501 561 H HN 0.076 nan 8.280 nan 0.000 0.521 562 V N 6.843 126.862 119.914 0.175 0.000 2.398 562 V HA 0.123 4.274 4.120 0.051 0.000 0.286 562 V C -0.115 175.962 176.094 -0.030 0.000 1.026 562 V CA -0.787 61.510 62.300 -0.005 0.000 0.868 562 V CB 1.500 33.336 31.823 0.021 0.000 0.982 562 V HN 0.531 nan 8.190 nan 0.000 0.443 563 V N 6.754 126.583 119.914 -0.142 0.000 2.350 563 V HA 0.547 4.698 4.120 0.051 0.000 0.276 563 V C 0.095 176.168 176.094 -0.035 0.000 1.028 563 V CA -0.557 61.685 62.300 -0.095 0.000 0.860 563 V CB 1.152 32.880 31.823 -0.158 0.000 0.990 563 V HN 0.886 nan 8.190 nan 0.000 0.453 564 R N 3.274 123.777 120.500 0.005 0.000 2.686 564 R HA 0.493 4.864 4.340 0.051 0.000 0.286 564 R C 0.139 176.455 176.300 0.027 0.000 0.969 564 R CA -1.001 55.108 56.100 0.015 0.000 0.898 564 R CB 1.169 31.481 30.300 0.019 0.000 1.183 564 R HN 0.763 nan 8.270 nan 0.000 0.456 565 N N -0.172 118.548 118.700 0.033 0.000 2.710 565 N HA -0.254 4.517 4.740 0.051 0.000 0.249 565 N C -0.817 174.719 175.510 0.045 0.000 1.059 565 N CA 0.673 53.748 53.050 0.042 0.000 0.720 565 N CB -0.641 37.869 38.487 0.039 0.000 0.983 565 N HN 0.716 nan 8.380 nan 0.000 0.544 566 A N 0.070 122.916 122.820 0.043 0.000 2.354 566 A HA 0.615 4.966 4.320 0.051 0.000 0.269 566 A C 0.281 177.899 177.584 0.058 0.000 1.109 566 A CA -0.192 51.872 52.037 0.045 0.000 0.800 566 A CB 0.929 19.948 19.000 0.032 0.000 1.045 566 A HN 0.114 nan 8.150 nan 0.000 0.489 567 V N 3.315 123.266 119.914 0.061 0.000 2.482 567 V HA 0.451 4.602 4.120 0.051 0.000 0.295 567 V C -0.697 175.441 176.094 0.073 0.000 1.026 567 V CA -0.433 61.914 62.300 0.078 0.000 0.856 567 V CB 1.472 33.341 31.823 0.077 0.000 1.001 567 V HN 0.662 nan 8.190 nan 0.000 0.424 568 V N 5.803 125.768 119.914 0.086 0.000 2.531 568 V HA 0.647 4.798 4.120 0.051 0.000 0.301 568 V C -0.310 175.849 176.094 0.108 0.000 1.034 568 V CA -0.695 61.649 62.300 0.074 0.000 0.865 568 V CB 2.180 34.032 31.823 0.048 0.000 0.995 568 V HN 0.877 nan 8.190 nan 0.000 0.424 569 R N 3.924 124.478 120.500 0.090 0.000 2.538 569 R HA 0.662 5.032 4.340 0.051 0.000 0.292 569 R C -1.008 175.329 176.300 0.062 0.000 1.008 569 R CA -0.643 55.517 56.100 0.101 0.000 0.896 569 R CB 2.232 32.575 30.300 0.071 0.000 1.187 569 R HN 0.990 nan 8.270 nan 0.000 0.440 570 N N 0.276 119.013 118.700 0.063 0.000 3.277 570 N HA 0.285 5.055 4.740 0.051 0.000 0.278 570 N C -0.047 175.490 175.510 0.045 0.000 1.544 570 N CA -0.662 52.416 53.050 0.047 0.000 0.869 570 N CB 0.368 38.886 38.487 0.051 0.000 1.584 570 N HN 0.294 nan 8.380 nan 0.000 0.564 571 A N -0.732 122.115 122.820 0.046 0.000 2.067 571 A HA 0.402 4.752 4.320 0.051 0.000 0.219 571 A C 1.431 179.050 177.584 0.059 0.000 1.158 571 A CA 1.639 53.700 52.037 0.040 0.000 0.661 571 A CB -1.784 17.242 19.000 0.043 0.000 0.801 571 A HN 1.590 nan 8.150 nan 0.000 0.452 572 G N -2.127 106.728 108.800 0.092 0.000 2.575 572 G HA2 -0.224 3.767 3.960 0.051 0.000 0.267 572 G HA3 -0.224 3.767 3.960 0.051 0.000 0.267 572 G C -0.289 174.818 174.900 0.344 0.000 1.264 572 G CA 0.250 45.417 45.100 0.112 0.000 0.935 572 G HN 0.650 nan 8.290 nan 0.000 0.568 573 W N 0.467 121.771 121.300 0.007 0.000 2.671 573 W HA 0.801 5.488 4.660 0.045 0.000 0.360 573 W C 0.719 177.200 176.519 -0.063 0.000 1.128 573 W CA -0.291 57.094 57.345 0.068 0.000 1.184 573 W CB 1.378 30.997 29.460 0.266 0.000 1.415 573 W HN 1.313 nan 8.180 nan 0.000 0.604 574 S N -0.329 115.553 115.700 0.303 0.000 2.685 574 S HA 0.831 5.331 4.470 0.051 0.000 0.282 574 S C -1.593 173.223 174.600 0.359 0.000 1.159 574 S CA -0.910 57.389 58.200 0.166 0.000 0.833 574 S CB 1.962 65.210 63.200 0.080 0.000 1.151 574 S HN 0.532 nan 8.310 nan 0.000 0.485 575 V N 2.376 122.488 119.914 0.330 0.000 2.841 575 V HA 0.770 4.921 4.120 0.051 0.000 0.310 575 V C -1.687 174.555 176.094 0.248 0.000 1.090 575 V CA -0.342 62.120 62.300 0.270 0.000 0.930 575 V CB 1.722 33.653 31.823 0.179 0.000 1.014 575 V HN 1.306 nan 8.190 nan 0.000 0.425 576 H N 4.122 123.263 119.070 0.119 0.000 2.985 576 H HA 0.819 5.389 4.556 0.024 0.000 0.360 576 H C -0.473 174.935 175.328 0.134 0.000 1.221 576 H CA -0.412 55.693 56.048 0.096 0.000 1.121 576 H CB 1.754 31.556 29.762 0.066 0.000 1.854 576 H HN 0.882 nan 8.280 nan 0.000 0.551 577 A N 1.800 124.688 122.820 0.114 0.000 2.371 577 A HA 0.404 4.754 4.320 0.051 0.000 0.257 577 A C 0.337 177.942 177.584 0.035 0.000 1.089 577 A CA -0.665 51.417 52.037 0.075 0.000 0.794 577 A CB -0.190 18.858 19.000 0.079 0.000 1.029 577 A HN 0.588 nan 8.150 nan 0.000 0.488 578 I N 2.387 122.957 120.570 0.000 0.000 2.436 578 I HA 0.060 4.260 4.170 0.051 0.000 0.289 578 I C 0.019 176.152 176.117 0.026 0.000 1.083 578 I CA 0.211 61.510 61.300 -0.002 0.000 1.372 578 I CB 0.368 38.346 38.000 -0.037 0.000 1.408 578 I HN 0.486 nan 8.210 nan 0.000 0.516 579 L N 5.789 127.043 121.223 0.052 0.000 2.426 579 L HA 0.107 4.478 4.340 0.051 0.000 0.271 579 L C 1.640 178.524 176.870 0.024 0.000 1.169 579 L CA 0.001 54.867 54.840 0.044 0.000 0.836 579 L CB 1.026 43.118 42.059 0.055 0.000 1.112 579 L HN 0.678 nan 8.230 nan 0.000 0.465 580 S N 1.988 117.698 115.700 0.017 0.000 2.420 580 S HA -0.143 4.358 4.470 0.051 0.000 0.237 580 S C 0.739 175.346 174.600 0.012 0.000 1.023 580 S CA 0.836 59.042 58.200 0.011 0.000 0.991 580 S CB -0.659 62.547 63.200 0.009 0.000 0.792 580 S HN 0.470 nan 8.310 nan 0.000 0.488 587 S N 0.102 115.804 115.700 0.003 0.000 2.499 587 S HA 0.478 4.978 4.470 0.051 0.000 0.279 587 S C 0.781 175.382 174.600 0.001 0.000 1.219 587 S CA -0.354 57.848 58.200 0.004 0.000 1.062 587 S CB 1.517 64.719 63.200 0.003 0.000 0.978 587 S HN 0.187 nan 8.310 nan 0.000 0.489 588 R N 3.823 124.324 120.500 0.001 0.000 2.432 588 R HA 0.406 4.776 4.340 0.051 0.000 0.260 588 R C -0.331 175.963 176.300 -0.009 0.000 0.935 588 R CA 0.011 56.109 56.100 -0.004 0.000 1.080 588 R CB -0.296 30.001 30.300 -0.004 0.000 1.155 588 R HN 0.682 nan 8.270 nan 0.000 0.531 589 L N 1.961 123.179 121.223 -0.008 0.000 2.361 589 L HA 0.214 4.585 4.340 0.051 0.000 0.278 589 L C 0.320 177.181 176.870 -0.014 0.000 1.113 589 L CA -0.257 54.573 54.840 -0.018 0.000 0.849 589 L CB 1.018 43.066 42.059 -0.019 0.000 1.155 589 L HN 0.235 nan 8.230 nan 0.000 0.452 590 S N 1.146 116.836 115.700 -0.017 0.000 2.722 590 S HA 0.291 4.792 4.470 0.051 0.000 0.292 590 S C 0.766 175.369 174.600 0.006 0.000 1.135 590 S CA -0.932 57.268 58.200 0.001 0.000 1.003 590 S CB 1.624 64.829 63.200 0.009 0.000 1.067 590 S HN 0.641 nan 8.310 nan 0.000 0.546 591 E N 0.044 120.272 120.200 0.046 0.000 2.130 591 E HA -0.143 4.237 4.350 0.051 0.000 0.196 591 E C 1.898 178.533 176.600 0.057 0.000 0.998 591 E CA 1.315 57.764 56.400 0.082 0.000 0.806 591 E CB -0.454 29.352 29.700 0.178 0.000 0.738 591 E HN 0.465 nan 8.360 nan 0.000 0.459 592 V N 2.070 122.015 119.914 0.051 0.000 2.282 592 V HA -0.298 3.853 4.120 0.051 0.000 0.249 592 V C 1.786 177.786 176.094 -0.157 0.000 1.057 592 V CA 2.105 64.351 62.300 -0.091 0.000 1.032 592 V CB -0.415 31.360 31.823 -0.081 0.000 0.645 592 V HN 0.272 nan 8.190 nan 0.000 0.447 593 D N -0.374 119.949 120.400 -0.128 0.000 2.084 593 D HA -0.142 4.528 4.640 0.051 0.000 0.196 593 D C 2.360 178.542 176.300 -0.196 0.000 0.985 593 D CA 1.203 55.092 54.000 -0.185 0.000 0.826 593 D CB -0.314 40.410 40.800 -0.127 0.000 0.978 593 D HN 0.390 nan 8.370 nan 0.000 0.456 594 R N 0.727 121.158 120.500 -0.114 0.000 2.127 594 R HA -0.094 4.277 4.340 0.051 0.000 0.238 594 R C 2.558 178.795 176.300 -0.104 0.000 1.134 594 R CA 0.946 56.991 56.100 -0.091 0.000 0.975 594 R CB -0.451 29.824 30.300 -0.041 0.000 0.865 594 R HN 0.391 nan 8.270 nan 0.000 0.447 595 I N -0.590 119.914 120.570 -0.110 0.000 3.111 595 I HA -0.087 4.113 4.170 0.051 0.000 0.272 595 I C 2.055 178.084 176.117 -0.148 0.000 1.268 595 I CA 0.959 62.201 61.300 -0.096 0.000 1.467 595 I CB -0.201 37.749 38.000 -0.082 0.000 1.087 595 I HN 0.056 nan 8.210 nan 0.000 0.467 596 R N 1.745 122.081 120.500 -0.273 0.000 2.282 596 R HA 0.318 4.688 4.340 0.051 0.000 0.195 596 R C 1.543 177.602 176.300 -0.401 0.000 0.909 596 R CA 0.816 56.673 56.100 -0.404 0.000 1.039 596 R CB -0.023 29.827 30.300 -0.751 0.000 1.015 596 R HN 0.348 nan 8.270 nan 0.000 0.513 597 G N 1.255 109.868 108.800 -0.312 0.000 2.143 597 G HA2 -0.289 3.702 3.960 0.051 0.000 0.249 597 G HA3 -0.289 3.702 3.960 0.051 0.000 0.249 597 G C -0.076 174.792 174.900 -0.053 0.000 0.981 597 G CA 0.679 45.690 45.100 -0.148 0.000 0.665 597 G HN 0.556 nan 8.290 nan 0.000 0.528 598 F N -2.239 117.659 119.950 -0.087 0.000 2.685 598 F HA 0.825 5.380 4.527 0.047 0.000 0.315 598 F C -0.656 175.053 175.800 -0.151 0.000 1.126 598 F CA -1.777 56.149 58.000 -0.124 0.000 0.950 598 F CB 1.475 40.431 39.000 -0.073 0.000 1.360 598 F HN 0.239 nan 8.300 nan 0.000 0.469 599 V N 2.296 122.258 119.914 0.080 0.000 2.709 599 V HA 0.400 4.551 4.120 0.051 0.000 0.308 599 V C -0.342 175.804 176.094 0.087 0.000 1.062 599 V CA -0.886 61.426 62.300 0.019 0.000 0.901 599 V CB 1.823 33.565 31.823 -0.135 0.000 1.003 599 V HN 0.802 nan 8.190 nan 0.000 0.425 600 L N 4.276 125.573 121.223 0.124 0.000 2.410 600 L HA 0.378 4.749 4.340 0.051 0.000 0.273 600 L C 0.300 177.148 176.870 -0.037 0.000 1.152 600 L CA -0.163 54.717 54.840 0.066 0.000 0.855 600 L CB 0.527 42.571 42.059 -0.024 0.000 1.129 600 L HN 0.490 nan 8.230 nan 0.000 0.463 601 K N 4.111 124.527 120.400 0.027 0.000 2.263 601 K HA 0.250 4.601 4.320 0.051 0.000 0.272 601 K C -0.446 176.025 176.600 -0.214 0.000 1.033 601 K CA -0.332 55.939 56.287 -0.027 0.000 0.884 601 K CB 1.324 33.889 32.500 0.108 0.000 1.107 601 K HN 0.387 nan 8.250 nan 0.000 0.460 602 K N 2.486 122.634 120.400 -0.420 0.000 2.535 602 K HA 0.108 4.458 4.320 0.051 0.000 0.242 602 K C 0.686 177.180 176.600 -0.177 0.000 1.210 602 K CA -0.100 55.703 56.287 -0.806 0.000 1.178 602 K CB 0.319 32.269 32.500 -0.917 0.000 1.778 602 K HN 0.405 nan 8.250 nan 0.000 0.372 603 T N 0.493 115.065 114.554 0.030 0.000 2.708 603 T HA -0.108 4.272 4.350 0.051 0.000 0.266 603 T C 0.825 175.609 174.700 0.140 0.000 1.037 603 T CA 1.102 63.255 62.100 0.089 0.000 1.146 603 T CB 0.140 69.064 68.868 0.094 0.000 0.865 603 T HN 0.517 nan 8.240 nan 0.000 0.435 604 A N 0.161 123.129 122.820 0.246 0.000 2.515 604 A HA 0.843 5.194 4.320 0.051 0.000 0.296 604 A C -1.245 176.495 177.584 0.261 0.000 1.094 604 A CA -0.813 51.342 52.037 0.198 0.000 0.718 604 A CB 1.793 20.871 19.000 0.130 0.000 1.307 604 A HN 0.256 nan 8.150 nan 0.000 0.408 605 M N 1.254 120.961 119.600 0.179 0.000 2.298 605 M HA 0.624 5.135 4.480 0.051 0.000 0.255 605 M C -0.745 175.612 176.300 0.096 0.000 1.021 605 M CA -0.062 55.334 55.300 0.159 0.000 0.968 605 M CB 1.375 34.124 32.600 0.248 0.000 2.037 605 M HN 1.555 nan 8.290 nan 0.000 0.478 606 A N 3.615 126.471 122.820 0.060 0.000 2.340 606 A HA 0.788 5.139 4.320 0.051 0.000 0.268 606 A C -0.943 176.671 177.584 0.050 0.000 1.100 606 A CA -0.505 51.562 52.037 0.050 0.000 0.803 606 A CB 0.638 19.661 19.000 0.038 0.000 1.043 606 A HN 0.839 nan 8.150 nan 0.000 0.488 607 V N 3.111 123.056 119.914 0.053 0.000 2.531 607 V HA 0.403 4.554 4.120 0.051 0.000 0.301 607 V C -0.256 175.874 176.094 0.060 0.000 1.034 607 V CA -0.131 62.202 62.300 0.055 0.000 0.865 607 V CB 1.471 33.329 31.823 0.058 0.000 0.995 607 V HN 0.919 nan 8.190 nan 0.000 0.424 608 M N 4.388 124.033 119.600 0.074 0.000 2.072 608 M HA 0.471 4.982 4.480 0.051 0.000 0.331 608 M C -0.678 175.719 176.300 0.162 0.000 1.004 608 M CA -0.176 55.194 55.300 0.118 0.000 0.952 608 M CB 1.266 33.950 32.600 0.141 0.000 1.511 608 M HN 0.606 nan 8.290 nan 0.000 0.422 609 D N 1.616 122.076 120.400 0.100 0.000 2.442 609 D HA 0.865 5.535 4.640 0.051 0.000 0.254 609 D C -0.201 176.049 176.300 -0.083 0.000 1.069 609 D CA 0.344 54.378 54.000 0.056 0.000 1.017 609 D CB 2.490 43.303 40.800 0.022 0.000 1.172 609 D HN 1.009 nan 8.370 nan 0.000 0.561 610 C N 0.000 119.234 119.300 -0.111 0.000 2.653 610 C HA 0.000 4.491 4.460 0.051 0.000 0.325 610 C CA 0.000 58.882 59.018 -0.226 0.000 1.963 610 C CB 0.000 27.492 27.740 -0.413 0.000 2.134 610 C HN 0.000 nan 8.230 nan 0.000 0.568