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 3nm1_1_D DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGXXMVI GWSVGFPEEV DELSKMGPXX VDYIGVGTLF PTLTKKNPKK DATA SEQUENCE APMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL SXXXSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNLLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSXXTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.331 176.600 -0.448 0.000 0.988 2 K CA 0.000 56.110 56.287 -0.296 0.000 0.838 2 K CB 0.000 32.455 32.500 -0.075 0.000 1.064 3 F N 0.356 120.181 119.950 -0.208 0.000 2.535 3 F HA 0.591 5.118 4.527 -0.001 0.000 0.367 3 F C 0.674 176.281 175.800 -0.321 0.000 1.096 3 F CA -0.629 57.187 58.000 -0.308 0.000 1.088 3 F CB 1.871 40.577 39.000 -0.489 0.000 1.387 3 F HN 0.555 nan 8.300 nan 0.000 0.494 4 S N -0.512 115.096 115.700 -0.152 0.000 2.536 4 S HA 0.320 4.789 4.470 -0.001 0.000 0.298 4 S C 0.513 174.917 174.600 -0.328 0.000 1.083 4 S CA -0.778 57.317 58.200 -0.175 0.000 0.995 4 S CB 1.530 64.674 63.200 -0.093 0.000 1.058 4 S HN 0.630 nan 8.310 nan 0.000 0.488 5 K N 1.863 122.168 120.400 -0.157 0.000 2.144 5 K HA -0.201 4.118 4.320 -0.001 0.000 0.209 5 K C 2.222 178.830 176.600 0.014 0.000 1.047 5 K CA 2.102 58.388 56.287 -0.002 0.000 0.927 5 K CB -0.485 32.112 32.500 0.162 0.000 0.716 5 K HN 0.866 nan 8.250 nan 0.000 0.454 6 E N 1.307 121.498 120.200 -0.015 0.000 2.409 6 E HA -0.173 4.176 4.350 -0.001 0.000 0.198 6 E C 1.581 178.164 176.600 -0.028 0.000 1.024 6 E CA 1.111 57.522 56.400 0.020 0.000 0.861 6 E CB -0.500 29.213 29.700 0.022 0.000 0.788 6 E HN 0.566 nan 8.360 nan 0.000 0.521 7 Q N -1.433 118.278 119.800 -0.148 0.000 2.396 7 Q HA 0.207 4.546 4.340 -0.001 0.000 0.209 7 Q C -0.183 175.686 176.000 -0.218 0.000 0.906 7 Q CA -0.572 55.144 55.803 -0.146 0.000 0.927 7 Q CB 0.349 29.035 28.738 -0.087 0.000 1.069 7 Q HN 0.496 nan 8.270 nan 0.000 0.523 8 F N 2.492 122.287 119.950 -0.259 0.000 2.590 8 F HA -0.026 4.501 4.527 -0.001 0.000 0.389 8 F C 0.490 175.935 175.800 -0.592 0.000 1.049 8 F CA -0.411 57.251 58.000 -0.562 0.000 1.199 8 F CB 0.062 38.656 39.000 -0.676 0.000 1.058 8 F HN -0.088 nan 8.300 nan 0.000 0.556 9 D N 3.160 123.322 120.400 -0.397 0.000 2.392 9 D HA 0.205 4.844 4.640 -0.001 0.000 0.228 9 D C -0.191 175.853 176.300 -0.427 0.000 1.074 9 D CA -0.299 53.526 54.000 -0.290 0.000 0.838 9 D CB 0.330 41.033 40.800 -0.162 0.000 1.067 9 D HN 0.358 nan 8.370 nan 0.000 0.511 10 Y N 1.794 122.005 120.300 -0.149 0.000 2.466 10 Y HA 0.094 4.644 4.550 -0.001 0.000 0.272 10 Y C 2.212 178.071 175.900 -0.069 0.000 1.169 10 Y CA -0.325 57.660 58.100 -0.192 0.000 1.285 10 Y CB -0.081 38.279 38.460 -0.167 0.000 1.078 10 Y HN 0.284 nan 8.280 nan 0.000 0.523 11 S N 0.913 116.654 115.700 0.069 0.000 2.433 11 S HA -0.259 4.210 4.470 -0.001 0.000 0.270 11 S C 0.592 175.236 174.600 0.074 0.000 1.068 11 S CA 1.347 59.586 58.200 0.065 0.000 1.375 11 S CB -0.679 62.538 63.200 0.029 0.000 1.255 11 S HN 0.298 nan 8.310 nan 0.000 0.442 12 L N 1.175 122.426 121.223 0.047 0.000 2.295 12 L HA 0.461 4.800 4.340 -0.001 0.000 0.281 12 L C -1.350 175.575 176.870 0.093 0.000 1.018 12 L CA -0.615 54.263 54.840 0.063 0.000 0.841 12 L CB 0.660 42.739 42.059 0.035 0.000 1.218 12 L HN 0.337 nan 8.230 nan 0.000 0.424 13 Y N 5.816 126.102 120.300 -0.023 0.000 2.385 13 Y HA 0.475 5.025 4.550 -0.001 0.000 0.341 13 Y C -1.072 174.800 175.900 -0.046 0.000 0.965 13 Y CA -1.377 56.697 58.100 -0.042 0.000 1.180 13 Y CB 1.405 39.857 38.460 -0.012 0.000 1.139 13 Y HN 0.615 nan 8.280 nan 0.000 0.502 14 L N 7.337 128.737 121.223 0.295 0.000 2.257 14 L HA 0.575 4.914 4.340 -0.001 0.000 0.290 14 L C -1.220 175.688 176.870 0.063 0.000 1.044 14 L CA -0.272 54.629 54.840 0.102 0.000 0.810 14 L CB 0.815 42.903 42.059 0.049 0.000 1.193 14 L HN 0.381 nan 8.230 nan 0.000 0.425 15 V N 4.361 124.244 119.914 -0.050 0.000 2.472 15 V HA 0.459 4.578 4.120 -0.001 0.000 0.290 15 V C 0.500 176.583 176.094 -0.019 0.000 1.037 15 V CA -0.481 61.777 62.300 -0.070 0.000 0.908 15 V CB 1.780 33.496 31.823 -0.179 0.000 0.985 15 V HN 0.826 nan 8.190 nan 0.000 0.454 16 T N 3.248 117.810 114.554 0.014 0.000 2.922 16 T HA 0.459 4.808 4.350 -0.001 0.000 0.285 16 T C -0.768 173.945 174.700 0.022 0.000 1.005 16 T CA -0.090 62.028 62.100 0.030 0.000 1.061 16 T CB 0.758 69.664 68.868 0.063 0.000 1.007 16 T HN 0.895 nan 8.240 nan 0.000 0.502 17 D N 0.200 120.614 120.400 0.023 0.000 2.312 17 D HA 0.204 4.843 4.640 -0.001 0.000 0.229 17 D C 1.070 177.383 176.300 0.021 0.000 1.337 17 D CA -0.230 53.778 54.000 0.012 0.000 0.964 17 D CB 0.696 41.496 40.800 0.001 0.000 1.456 17 D HN 0.373 nan 8.370 nan 0.000 0.547 18 S N 1.290 117.008 115.700 0.031 0.000 2.356 18 S HA -0.045 4.424 4.470 -0.001 0.000 0.223 18 S C 1.738 176.350 174.600 0.020 0.000 1.032 18 S CA 0.593 58.820 58.200 0.045 0.000 1.005 18 S CB -0.239 63.008 63.200 0.078 0.000 0.867 18 S HN 0.456 nan 8.310 nan 0.000 0.449 19 G N 0.671 109.470 108.800 -0.002 0.000 2.924 19 G HA2 0.521 4.481 3.960 -0.001 0.000 0.273 19 G HA3 0.521 4.481 3.960 -0.001 0.000 0.273 19 G C 0.048 174.945 174.900 -0.005 0.000 0.734 19 G CA -0.101 44.992 45.100 -0.012 0.000 2.065 19 G HN 0.538 nan 8.290 nan 0.000 0.580 20 M N 0.827 120.430 119.600 0.004 0.000 4.293 20 M HA 0.094 4.574 4.480 -0.001 0.000 0.587 20 M C -0.506 175.801 176.300 0.011 0.000 1.880 20 M CA -0.112 55.191 55.300 0.006 0.000 0.788 20 M CB 0.016 32.620 32.600 0.006 0.000 2.184 20 M HN 0.173 nan 8.290 nan 0.000 0.778 21 I N 4.183 124.763 120.570 0.017 0.000 2.556 21 I HA 0.196 4.365 4.170 -0.001 0.000 0.284 21 I C -1.884 174.244 176.117 0.018 0.000 1.114 21 I CA -1.442 59.872 61.300 0.022 0.000 1.418 21 I CB 0.328 38.349 38.000 0.034 0.000 1.394 21 I HN 0.067 nan 8.210 nan 0.000 0.552 22 P HA 0.128 nan 4.420 nan 0.000 0.268 22 P C -0.147 177.161 177.300 0.015 0.000 1.204 22 P CA -0.087 63.020 63.100 0.012 0.000 0.768 22 P CB 0.312 32.019 31.700 0.011 0.000 0.842 23 E N 1.654 121.860 120.200 0.011 0.000 2.529 23 E HA 0.314 4.664 4.350 -0.001 0.000 0.259 23 E C 1.422 178.031 176.600 0.015 0.000 0.966 23 E CA 0.389 56.797 56.400 0.012 0.000 0.937 23 E CB -0.982 28.722 29.700 0.008 0.000 0.923 23 E HN 0.913 nan 8.360 nan 0.000 0.468 24 G N 1.967 110.778 108.800 0.018 0.000 2.234 24 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.235 24 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.235 24 G C 0.590 175.506 174.900 0.027 0.000 0.997 24 G CA 0.539 45.651 45.100 0.020 0.000 0.623 24 G HN 0.735 nan 8.290 nan 0.000 0.514 25 K N 0.676 121.094 120.400 0.030 0.000 2.238 25 K HA 0.700 5.019 4.320 -0.001 0.000 0.239 25 K C 0.177 176.807 176.600 0.050 0.000 0.987 25 K CA -0.028 56.282 56.287 0.039 0.000 0.857 25 K CB 1.738 34.259 32.500 0.034 0.000 1.154 25 K HN 0.305 nan 8.250 nan 0.000 0.439 26 T N -1.706 112.888 114.554 0.067 0.000 2.930 26 T HA 0.254 4.603 4.350 -0.001 0.000 0.290 26 T C 0.810 175.569 174.700 0.099 0.000 1.052 26 T CA -0.889 61.263 62.100 0.087 0.000 1.017 26 T CB 1.148 70.078 68.868 0.103 0.000 1.137 26 T HN 0.382 nan 8.240 nan 0.000 0.511 27 L N 0.517 121.807 121.223 0.111 0.000 1.970 27 L HA -0.001 4.338 4.340 -0.001 0.000 0.212 27 L C 2.347 179.283 176.870 0.110 0.000 1.071 27 L CA 1.879 56.780 54.840 0.101 0.000 0.751 27 L CB -1.182 40.946 42.059 0.115 0.000 0.889 27 L HN 0.857 nan 8.230 nan 0.000 0.432 28 Y N 0.135 120.449 120.300 0.022 0.000 2.069 28 Y HA -0.318 4.231 4.550 -0.001 0.000 0.278 28 Y C 2.280 178.187 175.900 0.010 0.000 1.175 28 Y CA 2.163 60.271 58.100 0.013 0.000 1.134 28 Y CB -0.986 37.480 38.460 0.011 0.000 0.965 28 Y HN 0.308 nan 8.280 nan 0.000 0.498 29 G N -0.162 108.770 108.800 0.221 0.000 2.719 29 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.219 29 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.219 29 G C 1.425 176.343 174.900 0.030 0.000 1.234 29 G CA 1.475 46.648 45.100 0.122 0.000 0.788 29 G HN 0.402 nan 8.290 nan 0.000 0.619 30 Q N 0.109 119.921 119.800 0.019 0.000 1.975 30 Q HA -0.079 4.260 4.340 -0.001 0.000 0.205 30 Q C 3.030 178.996 176.000 -0.056 0.000 0.990 30 Q CA 1.470 57.267 55.803 -0.009 0.000 0.845 30 Q CB -1.400 27.341 28.738 0.004 0.000 0.913 30 Q HN 0.361 nan 8.270 nan 0.000 0.420 31 V N 1.617 121.486 119.914 -0.076 0.000 2.527 31 V HA -0.287 3.833 4.120 -0.001 0.000 0.255 31 V C 2.313 178.274 176.094 -0.221 0.000 1.081 31 V CA 2.180 64.403 62.300 -0.128 0.000 1.092 31 V CB -0.711 31.037 31.823 -0.124 0.000 0.673 31 V HN 0.437 nan 8.190 nan 0.000 0.470 32 E N 0.518 120.562 120.200 -0.259 0.000 2.016 32 E HA -0.148 4.201 4.350 -0.001 0.000 0.190 32 E C 2.296 178.793 176.600 -0.172 0.000 0.985 32 E CA 1.219 57.451 56.400 -0.279 0.000 0.802 32 E CB -0.417 29.142 29.700 -0.236 0.000 0.762 32 E HN 0.469 nan 8.360 nan 0.000 0.448 33 A N 0.657 123.424 122.820 -0.089 0.000 1.915 33 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 33 A C 2.421 179.971 177.584 -0.058 0.000 1.198 33 A CA 2.164 54.173 52.037 -0.047 0.000 0.647 33 A CB -1.562 17.426 19.000 -0.021 0.000 0.825 33 A HN 0.483 nan 8.150 nan 0.000 0.456 34 G N -1.388 107.368 108.800 -0.074 0.000 2.650 34 G HA2 0.107 4.066 3.960 -0.001 0.000 0.214 34 G HA3 0.107 4.066 3.960 -0.001 0.000 0.214 34 G C 1.401 176.244 174.900 -0.094 0.000 1.136 34 G CA 0.597 45.659 45.100 -0.063 0.000 0.789 34 G HN 0.425 nan 8.290 nan 0.000 0.536 35 L N -0.535 120.581 121.223 -0.178 0.000 2.131 35 L HA 0.007 4.346 4.340 -0.001 0.000 0.206 35 L C 2.966 179.746 176.870 -0.151 0.000 1.087 35 L CA 0.809 55.480 54.840 -0.281 0.000 0.767 35 L CB -0.203 41.456 42.059 -0.667 0.000 0.917 35 L HN 0.286 nan 8.230 nan 0.000 0.441 36 Q N -0.448 119.303 119.800 -0.083 0.000 2.297 36 Q HA -0.073 4.267 4.340 -0.001 0.000 0.204 36 Q C 0.958 176.980 176.000 0.037 0.000 0.962 36 Q CA 0.820 56.657 55.803 0.056 0.000 0.879 36 Q CB 0.232 29.010 28.738 0.068 0.000 0.947 36 Q HN 0.454 nan 8.270 nan 0.000 0.462 37 N N -2.002 116.701 118.700 0.004 0.000 2.159 37 N HA 0.143 4.882 4.740 -0.001 0.000 0.217 37 N C 0.511 176.024 175.510 0.005 0.000 1.223 37 N CA 0.816 53.871 53.050 0.009 0.000 0.896 37 N CB 1.997 40.487 38.487 0.005 0.000 1.064 37 N HN 0.280 nan 8.380 nan 0.000 0.518 38 G N -0.314 108.485 108.800 -0.002 0.000 4.040 38 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.192 38 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.192 38 G C -0.149 174.745 174.900 -0.011 0.000 0.963 38 G CA -0.231 44.869 45.100 -0.001 0.000 0.886 38 G HN 0.032 nan 8.290 nan 0.000 0.333 39 V N 2.450 122.350 119.914 -0.025 0.000 2.953 39 V HA 0.343 4.463 4.120 -0.001 0.000 0.304 39 V C 1.716 177.779 176.094 -0.052 0.000 1.138 39 V CA 1.867 64.147 62.300 -0.033 0.000 1.266 39 V CB 1.224 33.020 31.823 -0.045 0.000 0.923 39 V HN 0.912 nan 8.190 nan 0.000 0.505 40 T N 0.367 114.874 114.554 -0.078 0.000 3.080 40 T HA 0.417 4.766 4.350 -0.001 0.000 0.280 40 T C -0.433 174.130 174.700 -0.228 0.000 0.926 40 T CA -0.073 61.954 62.100 -0.121 0.000 0.883 40 T CB 0.285 69.087 68.868 -0.109 0.000 1.194 40 T HN 0.374 nan 8.240 nan 0.000 0.541 41 L N 1.089 122.165 121.223 -0.246 0.000 2.556 41 L HA 0.797 5.137 4.340 -0.001 0.000 0.257 41 L C -2.070 174.688 176.870 -0.187 0.000 0.955 41 L CA -0.864 53.735 54.840 -0.401 0.000 0.850 41 L CB 2.403 43.940 42.059 -0.870 0.000 1.398 41 L HN 0.019 nan 8.230 nan 0.000 0.412 42 V N 3.895 123.739 119.914 -0.117 0.000 2.569 42 V HA 0.502 4.621 4.120 -0.001 0.000 0.301 42 V C -0.688 175.487 176.094 0.135 0.000 1.044 42 V CA -0.481 61.855 62.300 0.059 0.000 0.874 42 V CB 1.742 33.569 31.823 0.008 0.000 1.002 42 V HN 0.829 nan 8.190 nan 0.000 0.424 43 Q N 4.494 124.438 119.800 0.240 0.000 2.256 43 Q HA 0.591 4.931 4.340 -0.001 0.000 0.257 43 Q C -1.112 174.968 176.000 0.135 0.000 0.936 43 Q CA -0.637 55.283 55.803 0.195 0.000 0.903 43 Q CB 1.731 30.572 28.738 0.172 0.000 1.263 43 Q HN 0.698 nan 8.270 nan 0.000 0.440 44 I N 4.081 124.749 120.570 0.163 0.000 2.342 44 I HA 0.299 4.469 4.170 -0.001 0.000 0.291 44 I C 0.009 176.263 176.117 0.228 0.000 1.010 44 I CA -0.235 61.187 61.300 0.203 0.000 1.308 44 I CB 1.117 39.286 38.000 0.282 0.000 1.400 44 I HN 0.533 nan 8.210 nan 0.000 0.488 45 R N 5.531 126.117 120.500 0.143 0.000 2.388 45 R HA 0.312 4.651 4.340 -0.001 0.000 0.314 45 R C -0.978 175.300 176.300 -0.036 0.000 0.959 45 R CA -0.403 55.743 56.100 0.078 0.000 0.851 45 R CB 0.995 31.320 30.300 0.040 0.000 1.168 45 R HN 0.455 nan 8.270 nan 0.000 0.472 46 E N 4.097 124.170 120.200 -0.211 0.000 2.518 46 E HA 0.158 4.507 4.350 -0.001 0.000 0.240 46 E C -0.438 175.947 176.600 -0.358 0.000 0.996 46 E CA -0.443 55.705 56.400 -0.420 0.000 0.768 46 E CB 1.442 30.574 29.700 -0.948 0.000 1.329 46 E HN 0.508 nan 8.360 nan 0.000 0.408 47 K N 0.879 121.174 120.400 -0.176 0.000 2.361 47 K HA 0.070 4.390 4.320 -0.001 0.000 0.196 47 K C 0.543 177.078 176.600 -0.109 0.000 1.039 47 K CA 0.562 56.783 56.287 -0.109 0.000 1.001 47 K CB 0.808 33.274 32.500 -0.056 0.000 0.795 47 K HN 0.377 nan 8.250 nan 0.000 0.495 48 D N 0.671 120.990 120.400 -0.136 0.000 2.840 48 D HA 0.072 4.712 4.640 -0.001 0.000 0.277 48 D C 0.644 176.865 176.300 -0.133 0.000 1.066 48 D CA 0.130 54.061 54.000 -0.115 0.000 0.979 48 D CB 0.097 40.834 40.800 -0.106 0.000 1.157 48 D HN -0.030 nan 8.370 nan 0.000 0.466 49 A N 1.712 124.423 122.820 -0.181 0.000 2.567 49 A HA -0.027 4.292 4.320 -0.001 0.000 0.236 49 A C 0.078 177.626 177.584 -0.060 0.000 1.088 49 A CA 0.444 52.376 52.037 -0.175 0.000 0.776 49 A CB 0.123 19.021 19.000 -0.170 0.000 1.033 49 A HN 0.027 nan 8.150 nan 0.000 0.513 50 D N 0.392 120.800 120.400 0.013 0.000 2.304 50 D HA 0.283 4.923 4.640 -0.001 0.000 0.247 50 D C 1.458 177.884 176.300 0.209 0.000 1.089 50 D CA 0.333 54.387 54.000 0.091 0.000 0.910 50 D CB 1.008 41.852 40.800 0.072 0.000 1.199 50 D HN 0.549 nan 8.370 nan 0.000 0.426 51 T N 1.082 115.756 114.554 0.199 0.000 2.751 51 T HA -0.252 4.098 4.350 -0.001 0.000 0.268 51 T C 1.655 176.495 174.700 0.234 0.000 1.045 51 T CA 1.445 63.695 62.100 0.250 0.000 1.142 51 T CB 0.128 69.094 68.868 0.163 0.000 0.851 51 T HN 0.400 nan 8.240 nan 0.000 0.474 52 K N 0.116 120.632 120.400 0.194 0.000 1.980 52 K HA -0.023 4.296 4.320 -0.001 0.000 0.208 52 K C 2.077 178.804 176.600 0.212 0.000 1.043 52 K CA 1.119 57.503 56.287 0.162 0.000 0.938 52 K CB -0.383 32.195 32.500 0.130 0.000 0.724 52 K HN 0.316 nan 8.250 nan 0.000 0.438 53 F N 1.204 121.219 119.950 0.107 0.000 2.115 53 F HA -0.311 4.215 4.527 -0.001 0.000 0.300 53 F C 2.020 177.933 175.800 0.188 0.000 1.092 53 F CA 1.389 59.454 58.000 0.108 0.000 1.245 53 F CB -0.314 38.728 39.000 0.071 0.000 0.995 53 F HN 0.115 nan 8.300 nan 0.000 0.481 54 F N 1.565 121.683 119.950 0.280 0.000 2.027 54 F HA -0.304 4.222 4.527 -0.001 0.000 0.297 54 F C 2.238 178.052 175.800 0.024 0.000 1.129 54 F CA 1.963 60.059 58.000 0.161 0.000 1.195 54 F CB -1.232 37.853 39.000 0.141 0.000 0.960 54 F HN 0.017 nan 8.300 nan 0.000 0.485 55 I N -0.124 120.524 120.570 0.131 0.000 2.264 55 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 55 I C 2.323 178.412 176.117 -0.047 0.000 1.111 55 I CA 1.600 62.870 61.300 -0.050 0.000 1.382 55 I CB -0.648 37.333 38.000 -0.033 0.000 1.060 55 I HN 0.261 nan 8.210 nan 0.000 0.418 56 E N 0.490 120.655 120.200 -0.058 0.000 2.072 56 E HA -0.243 4.107 4.350 -0.001 0.000 0.191 56 E C 2.078 178.581 176.600 -0.162 0.000 0.985 56 E CA 1.090 57.413 56.400 -0.128 0.000 0.801 56 E CB -0.001 29.586 29.700 -0.188 0.000 0.750 56 E HN 0.452 nan 8.360 nan 0.000 0.452 57 E N -0.293 119.783 120.200 -0.207 0.000 2.230 57 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 57 E C 1.852 178.455 176.600 0.004 0.000 0.987 57 E CA 0.456 56.772 56.400 -0.139 0.000 0.841 57 E CB 0.149 29.730 29.700 -0.200 0.000 0.783 57 E HN 0.175 nan 8.360 nan 0.000 0.481 58 A N 0.835 123.669 122.820 0.024 0.000 1.929 58 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 58 A C 2.074 179.639 177.584 -0.031 0.000 1.176 58 A CA 0.638 52.677 52.037 0.004 0.000 0.628 58 A CB -0.405 18.535 19.000 -0.099 0.000 0.816 58 A HN 0.209 nan 8.150 nan 0.000 0.444 59 L N -0.855 120.340 121.223 -0.046 0.000 2.056 59 L HA -0.212 4.127 4.340 -0.001 0.000 0.207 59 L C 2.874 179.732 176.870 -0.021 0.000 1.078 59 L CA 1.682 56.495 54.840 -0.045 0.000 0.749 59 L CB -0.417 41.615 42.059 -0.045 0.000 0.901 59 L HN 0.577 nan 8.230 nan 0.000 0.433 60 Q N 0.191 119.988 119.800 -0.004 0.000 2.226 60 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 60 Q C 2.158 178.241 176.000 0.138 0.000 0.975 60 Q CA 1.386 57.219 55.803 0.050 0.000 0.866 60 Q CB 0.156 28.908 28.738 0.023 0.000 0.915 60 Q HN 0.563 nan 8.270 nan 0.000 0.440 61 I N -0.167 120.450 120.570 0.078 0.000 2.867 61 I HA -0.137 4.033 4.170 -0.001 0.000 0.265 61 I C 2.323 178.426 176.117 -0.023 0.000 1.162 61 I CA 0.324 61.653 61.300 0.048 0.000 1.471 61 I CB -0.057 37.965 38.000 0.038 0.000 1.123 61 I HN 0.128 nan 8.210 nan 0.000 0.440 62 K N 1.439 121.796 120.400 -0.072 0.000 2.113 62 K HA -0.280 4.040 4.320 -0.001 0.000 0.208 62 K C 1.952 178.370 176.600 -0.305 0.000 1.047 62 K CA 1.823 57.971 56.287 -0.232 0.000 0.928 62 K CB -0.041 32.307 32.500 -0.254 0.000 0.716 62 K HN 0.281 nan 8.250 nan 0.000 0.446 63 E N 0.455 120.587 120.200 -0.113 0.000 2.072 63 E HA -0.161 4.189 4.350 -0.001 0.000 0.190 63 E C 2.035 178.673 176.600 0.064 0.000 0.982 63 E CA 0.599 56.987 56.400 -0.021 0.000 0.803 63 E CB -0.021 29.702 29.700 0.039 0.000 0.755 63 E HN 0.343 nan 8.360 nan 0.000 0.453 64 L N 0.737 122.004 121.223 0.073 0.000 2.191 64 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 64 L C 2.062 178.978 176.870 0.077 0.000 1.103 64 L CA 1.185 56.051 54.840 0.043 0.000 0.769 64 L CB -0.494 41.443 42.059 -0.203 0.000 0.908 64 L HN 0.432 nan 8.230 nan 0.000 0.438 65 C N -0.664 118.675 119.300 0.064 0.000 2.675 65 C HA -0.093 4.366 4.460 -0.001 0.000 0.285 65 C C 2.529 177.726 174.990 0.345 0.000 1.282 65 C CA 0.219 59.331 59.018 0.156 0.000 1.708 65 C CB -1.086 26.748 27.740 0.156 0.000 2.134 65 C HN 0.582 nan 8.230 nan 0.000 0.494 66 H N 1.333 120.501 119.070 0.165 0.000 2.496 66 H HA -0.080 4.475 4.556 -0.001 0.000 0.296 66 H C 2.194 177.596 175.328 0.124 0.000 1.107 66 H CA 1.503 57.651 56.048 0.166 0.000 1.263 66 H CB -0.823 29.003 29.762 0.107 0.000 1.369 66 H HN 0.524 nan 8.280 nan 0.000 0.541 67 A N 0.131 123.107 122.820 0.260 0.000 2.067 67 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 67 A C 1.022 178.637 177.584 0.053 0.000 1.158 67 A CA 1.345 53.473 52.037 0.152 0.000 0.661 67 A CB -0.294 18.803 19.000 0.162 0.000 0.801 67 A HN 0.455 nan 8.150 nan 0.000 0.452 68 H N -1.900 117.222 119.070 0.086 0.000 2.486 68 H HA 0.229 4.784 4.556 -0.001 0.000 0.284 68 H C 0.579 175.963 175.328 0.092 0.000 1.103 68 H CA 0.040 56.126 56.048 0.064 0.000 1.089 68 H CB -0.205 29.578 29.762 0.035 0.000 1.603 68 H HN 0.549 nan 8.280 nan 0.000 0.557 69 N N 0.090 118.924 118.700 0.223 0.000 2.678 69 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 69 N C -0.609 175.122 175.510 0.368 0.000 1.119 69 N CA 0.746 53.960 53.050 0.272 0.000 0.718 69 N CB -0.760 37.823 38.487 0.159 0.000 1.060 69 N HN 0.285 nan 8.380 nan 0.000 0.552 70 V N -0.318 119.756 119.914 0.266 0.000 2.532 70 V HA 0.666 4.785 4.120 -0.001 0.000 0.295 70 V C -1.929 174.203 176.094 0.063 0.000 1.041 70 V CA -1.813 60.510 62.300 0.039 0.000 0.926 70 V CB 1.473 33.291 31.823 -0.010 0.000 0.992 70 V HN 0.029 nan 8.190 nan 0.000 0.457 71 P HA 0.340 nan 4.420 nan 0.000 0.288 71 P C -1.460 175.883 177.300 0.073 0.000 1.291 71 P CA -0.321 62.719 63.100 -0.100 0.000 0.766 71 P CB 0.403 31.958 31.700 -0.243 0.000 1.242 72 L N -0.161 121.143 121.223 0.135 0.000 2.580 72 L HA 0.475 4.814 4.340 -0.001 0.000 0.266 72 L C -1.417 175.499 176.870 0.077 0.000 0.955 72 L CA -0.193 54.699 54.840 0.086 0.000 0.886 72 L CB 0.858 42.978 42.059 0.102 0.000 1.263 72 L HN 0.100 nan 8.230 nan 0.000 0.406 73 I N 4.999 125.603 120.570 0.056 0.000 2.566 73 I HA 0.471 4.641 4.170 -0.001 0.000 0.303 73 I C -0.235 175.969 176.117 0.146 0.000 0.983 73 I CA -0.166 61.197 61.300 0.106 0.000 1.235 73 I CB 1.625 39.715 38.000 0.149 0.000 1.386 73 I HN 0.470 nan 8.210 nan 0.000 0.494 74 I N 4.239 124.901 120.570 0.153 0.000 2.433 74 I HA 0.257 4.427 4.170 -0.001 0.000 0.292 74 I C 0.009 176.259 176.117 0.222 0.000 1.001 74 I CA -0.570 60.827 61.300 0.161 0.000 1.119 74 I CB 1.453 39.484 38.000 0.052 0.000 1.289 74 I HN 0.605 nan 8.210 nan 0.000 0.438 75 N N 5.336 124.202 118.700 0.276 0.000 2.518 75 N HA -0.031 4.709 4.740 -0.001 0.000 0.266 75 N C 0.651 176.310 175.510 0.247 0.000 1.196 75 N CA -0.124 53.087 53.050 0.269 0.000 0.947 75 N CB 0.659 39.287 38.487 0.236 0.000 1.098 75 N HN 0.766 nan 8.380 nan 0.000 0.450 76 D N 1.189 121.700 120.400 0.186 0.000 4.631 76 D HA -0.314 4.325 4.640 -0.001 0.000 0.171 76 D C -0.333 176.052 176.300 0.142 0.000 1.837 76 D CA 1.436 55.520 54.000 0.140 0.000 0.787 76 D CB -0.518 40.349 40.800 0.111 0.000 0.675 76 D HN 0.612 nan 8.370 nan 0.000 0.667 77 R N 0.903 121.514 120.500 0.186 0.000 2.565 77 R HA 0.404 4.743 4.340 -0.001 0.000 0.286 77 R C 1.733 178.078 176.300 0.074 0.000 1.256 77 R CA -0.170 56.022 56.100 0.154 0.000 1.238 77 R CB 0.560 31.018 30.300 0.265 0.000 1.153 77 R HN 0.401 nan 8.270 nan 0.000 0.553 78 I N 0.512 121.120 120.570 0.064 0.000 2.315 78 I HA -0.212 3.958 4.170 -0.001 0.000 0.248 78 I C 1.510 177.640 176.117 0.022 0.000 1.117 78 I CA 1.597 62.924 61.300 0.045 0.000 1.404 78 I CB -0.005 38.022 38.000 0.045 0.000 1.071 78 I HN 0.353 nan 8.210 nan 0.000 0.419 79 D N 1.640 122.053 120.400 0.021 0.000 2.123 79 D HA -0.203 4.436 4.640 -0.001 0.000 0.196 79 D C 2.092 178.379 176.300 -0.022 0.000 0.992 79 D CA 1.789 55.795 54.000 0.009 0.000 0.833 79 D CB -1.242 39.569 40.800 0.020 0.000 0.954 79 D HN 0.355 nan 8.370 nan 0.000 0.455 80 V N 0.927 120.807 119.914 -0.057 0.000 2.469 80 V HA -0.201 3.919 4.120 -0.001 0.000 0.251 80 V C 2.721 178.730 176.094 -0.143 0.000 1.064 80 V CA 1.731 63.935 62.300 -0.160 0.000 1.066 80 V CB -0.918 30.674 31.823 -0.385 0.000 0.667 80 V HN 0.439 nan 8.190 nan 0.000 0.461 81 A N -0.279 122.494 122.820 -0.078 0.000 1.873 81 A HA -0.176 4.143 4.320 -0.001 0.000 0.215 81 A C 2.240 179.821 177.584 -0.005 0.000 1.186 81 A CA 1.947 53.966 52.037 -0.030 0.000 0.616 81 A CB -0.395 18.617 19.000 0.020 0.000 0.823 81 A HN 0.469 nan 8.150 nan 0.000 0.442 82 M N -0.298 119.303 119.600 0.003 0.000 2.086 82 M HA -0.144 4.335 4.480 -0.001 0.000 0.261 82 M C 2.579 178.880 176.300 0.003 0.000 1.067 82 M CA 1.507 56.814 55.300 0.012 0.000 1.116 82 M CB -0.777 31.831 32.600 0.013 0.000 1.348 82 M HN 0.462 nan 8.290 nan 0.000 0.407 83 A N 1.664 124.476 122.820 -0.014 0.000 1.859 83 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 83 A C 2.025 179.597 177.584 -0.021 0.000 1.198 83 A CA 2.211 54.237 52.037 -0.019 0.000 0.629 83 A CB -1.061 17.919 19.000 -0.033 0.000 0.830 83 A HN 0.701 nan 8.150 nan 0.000 0.446 84 I N -3.899 116.649 120.570 -0.038 0.000 3.684 84 I HA 0.473 4.643 4.170 -0.001 0.000 0.304 84 I C 1.050 177.165 176.117 -0.003 0.000 1.278 84 I CA 0.571 61.850 61.300 -0.035 0.000 1.272 84 I CB -0.309 37.650 38.000 -0.069 0.000 1.029 84 I HN 0.489 nan 8.210 nan 0.000 0.458 85 G N 1.795 110.605 108.800 0.018 0.000 2.326 85 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.286 85 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.286 85 G C 0.238 175.194 174.900 0.094 0.000 1.096 85 G CA -0.009 45.124 45.100 0.055 0.000 1.003 85 G HN 0.934 nan 8.290 nan 0.000 0.503 86 A N -0.396 122.473 122.820 0.082 0.000 2.296 86 A HA 0.651 4.971 4.320 -0.001 0.000 0.264 86 A C 1.196 178.890 177.584 0.183 0.000 1.097 86 A CA 0.459 52.567 52.037 0.118 0.000 0.811 86 A CB 0.476 19.521 19.000 0.075 0.000 1.072 86 A HN 0.306 nan 8.150 nan 0.000 0.495 87 D N -0.317 120.229 120.400 0.243 0.000 2.366 87 D HA 0.278 4.917 4.640 -0.001 0.000 0.205 87 D C 0.705 177.193 176.300 0.314 0.000 1.022 87 D CA 1.427 55.626 54.000 0.331 0.000 0.868 87 D CB 0.482 41.557 40.800 0.458 0.000 0.953 87 D HN 0.731 nan 8.370 nan 0.000 0.514 88 G N 0.718 109.631 108.800 0.188 0.000 2.632 88 G HA2 0.498 4.457 3.960 -0.001 0.000 0.292 88 G HA3 0.498 4.457 3.960 -0.001 0.000 0.292 88 G C -1.675 173.318 174.900 0.155 0.000 1.465 88 G CA -0.865 44.329 45.100 0.156 0.000 0.824 88 G HN 0.078 nan 8.290 nan 0.000 0.509 89 I N -1.844 118.835 120.570 0.181 0.000 2.689 89 I HA 0.828 4.997 4.170 -0.001 0.000 0.299 89 I C -0.911 175.360 176.117 0.255 0.000 1.059 89 I CA -1.293 60.123 61.300 0.193 0.000 1.055 89 I CB 2.484 40.563 38.000 0.133 0.000 1.243 89 I HN 0.589 nan 8.210 nan 0.000 0.425 90 H N 5.080 124.251 119.070 0.168 0.000 2.646 90 H HA 0.758 5.314 4.556 -0.001 0.000 0.328 90 H C -1.003 174.401 175.328 0.126 0.000 0.998 90 H CA -0.636 55.503 56.048 0.152 0.000 1.225 90 H CB 1.375 31.259 29.762 0.205 0.000 1.457 90 H HN 0.722 nan 8.280 nan 0.000 0.505 91 V N 2.688 122.469 119.914 -0.223 0.000 3.093 91 V HA 0.907 5.026 4.120 -0.001 0.000 0.320 91 V C 0.593 176.591 176.094 -0.160 0.000 1.093 91 V CA -0.234 62.015 62.300 -0.085 0.000 1.016 91 V CB 1.551 33.402 31.823 0.047 0.000 1.096 91 V HN 0.818 nan 8.190 nan 0.000 0.452 92 G N -0.152 108.624 108.800 -0.040 0.000 2.557 92 G HA2 0.437 4.396 3.960 -0.001 0.000 0.302 92 G HA3 0.437 4.396 3.960 -0.001 0.000 0.302 92 G C 0.043 174.933 174.900 -0.017 0.000 1.311 92 G CA -0.219 44.834 45.100 -0.078 0.000 1.030 92 G HN 0.803 nan 8.290 nan 0.000 0.509 93 Q N -1.193 118.535 119.800 -0.120 0.000 2.297 93 Q HA 0.009 4.348 4.340 -0.001 0.000 0.204 93 Q C 0.863 176.890 176.000 0.044 0.000 0.962 93 Q CA 1.442 57.201 55.803 -0.073 0.000 0.879 93 Q CB 0.227 28.859 28.738 -0.177 0.000 0.947 93 Q HN 0.505 nan 8.270 nan 0.000 0.462 94 D N 0.020 120.434 120.400 0.023 0.000 2.402 94 D HA 0.100 4.740 4.640 -0.001 0.000 0.216 94 D C -0.587 175.740 176.300 0.045 0.000 1.128 94 D CA 0.046 54.065 54.000 0.032 0.000 0.833 94 D CB 0.315 41.122 40.800 0.012 0.000 0.971 94 D HN 0.177 nan 8.370 nan 0.000 0.503 95 D N -0.071 120.368 120.400 0.064 0.000 2.549 95 D HA 0.165 4.804 4.640 -0.001 0.000 0.270 95 D C 0.580 176.927 176.300 0.079 0.000 1.181 95 D CA -0.724 53.315 54.000 0.066 0.000 1.070 95 D CB 0.871 41.709 40.800 0.064 0.000 1.154 95 D HN -0.076 nan 8.370 nan 0.000 0.602 96 M N 1.056 120.694 119.600 0.062 0.000 2.226 96 M HA -0.006 4.474 4.480 -0.001 0.000 0.352 96 M C -2.217 174.111 176.300 0.046 0.000 1.226 96 M CA -0.291 55.037 55.300 0.047 0.000 0.943 96 M CB 0.358 32.979 32.600 0.035 0.000 1.805 96 M HN -0.025 nan 8.290 nan 0.000 0.465 97 P HA -0.098 nan 4.420 nan 0.000 0.267 97 P C 0.421 177.682 177.300 -0.064 0.000 1.201 97 P CA -0.041 63.058 63.100 -0.001 0.000 0.775 97 P CB 0.312 32.010 31.700 -0.004 0.000 0.854 98 I N 3.271 123.744 120.570 -0.162 0.000 2.333 98 I HA -0.055 4.114 4.170 -0.001 0.000 0.246 98 I C -0.799 175.235 176.117 -0.139 0.000 1.106 98 I CA 1.266 62.434 61.300 -0.220 0.000 1.411 98 I CB -3.007 34.733 38.000 -0.433 0.000 1.082 98 I HN 0.286 nan 8.210 nan 0.000 0.420 99 P HA -0.221 nan 4.420 nan 0.000 0.218 99 P C 2.138 179.406 177.300 -0.053 0.000 1.165 99 P CA 1.999 65.052 63.100 -0.078 0.000 0.922 99 P CB -0.205 31.458 31.700 -0.062 0.000 0.794 100 M N -1.939 117.638 119.600 -0.039 0.000 2.159 100 M HA -0.121 4.359 4.480 -0.001 0.000 0.263 100 M C 2.295 178.584 176.300 -0.018 0.000 1.063 100 M CA 1.677 56.964 55.300 -0.021 0.000 1.110 100 M CB -0.879 31.715 32.600 -0.010 0.000 1.374 100 M HN -0.100 nan 8.290 nan 0.000 0.411 101 I N -0.263 120.292 120.570 -0.025 0.000 2.179 101 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 101 I C 2.646 178.757 176.117 -0.011 0.000 1.088 101 I CA 1.232 62.524 61.300 -0.013 0.000 1.357 101 I CB -0.524 37.464 38.000 -0.020 0.000 1.051 101 I HN 0.238 nan 8.210 nan 0.000 0.409 102 R N 1.566 122.049 120.500 -0.027 0.000 2.189 102 R HA -0.112 4.227 4.340 -0.001 0.000 0.218 102 R C 2.053 178.343 176.300 -0.016 0.000 1.074 102 R CA 1.181 57.269 56.100 -0.021 0.000 0.991 102 R CB -0.302 29.974 30.300 -0.041 0.000 0.883 102 R HN 0.196 nan 8.270 nan 0.000 0.457 103 K N -0.269 120.120 120.400 -0.018 0.000 2.504 103 K HA 0.025 4.345 4.320 -0.001 0.000 0.195 103 K C 0.785 177.382 176.600 -0.004 0.000 1.036 103 K CA 0.676 56.955 56.287 -0.013 0.000 0.984 103 K CB 0.195 32.686 32.500 -0.015 0.000 0.788 103 K HN 0.242 nan 8.250 nan 0.000 0.488 104 L N -0.165 121.058 121.223 0.000 0.000 2.664 104 L HA 0.061 4.400 4.340 -0.001 0.000 0.233 104 L C 1.317 178.195 176.870 0.013 0.000 1.113 104 L CA 0.014 54.858 54.840 0.007 0.000 0.896 104 L CB 0.834 42.900 42.059 0.011 0.000 1.163 104 L HN 0.053 nan 8.230 nan 0.000 0.497 105 V N -4.774 115.149 119.914 0.014 0.000 3.161 105 V HA 0.678 4.798 4.120 -0.001 0.000 0.228 105 V C 0.852 176.960 176.094 0.024 0.000 1.415 105 V CA 0.242 62.557 62.300 0.025 0.000 1.285 105 V CB 0.124 31.970 31.823 0.038 0.000 1.100 105 V HN 0.280 nan 8.190 nan 0.000 0.478 110 V N 5.020 125.128 119.914 0.323 0.000 2.539 110 V HA 0.693 4.813 4.120 -0.001 0.000 0.292 110 V C -0.859 175.393 176.094 0.264 0.000 1.045 110 V CA -0.412 62.093 62.300 0.341 0.000 0.945 110 V CB 1.635 33.704 31.823 0.410 0.000 0.993 110 V HN 0.761 nan 8.190 nan 0.000 0.464 111 I N 5.431 126.157 120.570 0.261 0.000 2.509 111 I HA 0.654 4.824 4.170 -0.001 0.000 0.293 111 I C 0.546 176.766 176.117 0.172 0.000 1.020 111 I CA -0.476 60.936 61.300 0.188 0.000 1.088 111 I CB 2.005 40.044 38.000 0.063 0.000 1.267 111 I HN 0.759 nan 8.210 nan 0.000 0.430 112 G N 3.719 112.540 108.800 0.036 0.000 2.489 112 G HA2 0.602 4.561 3.960 -0.001 0.000 0.327 112 G HA3 0.602 4.561 3.960 -0.001 0.000 0.327 112 G C -2.422 172.337 174.900 -0.236 0.000 1.189 112 G CA -0.265 44.501 45.100 -0.556 0.000 0.962 112 G HN 0.542 nan 8.290 nan 0.000 0.486 113 W N 0.654 121.645 121.300 -0.515 0.000 3.326 113 W HA 0.507 5.167 4.660 -0.001 0.000 0.333 113 W C -0.519 175.855 176.519 -0.242 0.000 1.108 113 W CA -1.253 55.860 57.345 -0.386 0.000 1.245 113 W CB 1.631 30.966 29.460 -0.209 0.000 1.331 113 W HN 0.447 nan 8.180 nan 0.000 0.464 114 S N 3.668 119.135 115.700 -0.389 0.000 2.430 114 S HA 0.517 4.986 4.470 -0.001 0.000 0.282 114 S C -0.277 174.050 174.600 -0.456 0.000 1.186 114 S CA -0.396 57.650 58.200 -0.258 0.000 1.060 114 S CB 0.325 63.442 63.200 -0.139 0.000 0.966 114 S HN 0.221 nan 8.310 nan 0.000 0.501 115 V N 1.736 121.450 119.914 -0.333 0.000 2.864 115 V HA 0.896 5.016 4.120 -0.001 0.000 0.314 115 V C 0.795 176.722 176.094 -0.278 0.000 1.073 115 V CA -0.786 61.300 62.300 -0.357 0.000 0.956 115 V CB 2.145 33.801 31.823 -0.278 0.000 1.023 115 V HN 0.891 nan 8.190 nan 0.000 0.435 116 G N 1.402 110.012 108.800 -0.315 0.000 5.284 116 G HA2 0.479 4.439 3.960 -0.001 0.000 0.236 116 G HA3 0.479 4.439 3.960 -0.001 0.000 0.236 116 G C -0.896 173.471 174.900 -0.887 0.000 0.870 116 G CA 0.121 44.897 45.100 -0.541 0.000 0.724 116 G HN 0.359 nan 8.290 nan 0.000 0.336 117 F N -0.981 118.895 119.950 -0.123 0.000 2.622 117 F HA 0.395 4.921 4.527 -0.001 0.000 0.318 117 F C -2.120 173.637 175.800 -0.071 0.000 1.135 117 F CA -1.879 56.067 58.000 -0.091 0.000 1.015 117 F CB 2.302 41.247 39.000 -0.093 0.000 1.275 117 F HN -0.182 nan 8.300 nan 0.000 0.457 118 P HA -0.176 nan 4.420 nan 0.000 0.216 118 P C 0.941 178.290 177.300 0.082 0.000 1.150 118 P CA 1.705 64.850 63.100 0.075 0.000 0.843 118 P CB 0.337 32.073 31.700 0.060 0.000 0.787 119 E N -0.145 120.109 120.200 0.090 0.000 2.118 119 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 119 E C 1.876 178.533 176.600 0.094 0.000 0.992 119 E CA 1.221 57.661 56.400 0.066 0.000 0.804 119 E CB -0.873 28.840 29.700 0.021 0.000 0.741 119 E HN 0.422 nan 8.360 nan 0.000 0.458 120 E N 0.199 120.453 120.200 0.091 0.000 2.110 120 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 120 E C 2.000 178.727 176.600 0.212 0.000 0.988 120 E CA 1.210 57.663 56.400 0.088 0.000 0.804 120 E CB -0.024 29.596 29.700 -0.133 0.000 0.745 120 E HN 0.072 nan 8.360 nan 0.000 0.458 121 V N 1.650 121.642 119.914 0.130 0.000 2.427 121 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 121 V C 1.703 177.876 176.094 0.132 0.000 1.051 121 V CA 1.649 64.026 62.300 0.128 0.000 1.048 121 V CB -0.376 31.474 31.823 0.045 0.000 0.666 121 V HN 0.237 nan 8.190 nan 0.000 0.456 122 D N 0.163 120.632 120.400 0.115 0.000 2.149 122 D HA -0.172 4.467 4.640 -0.001 0.000 0.198 122 D C 2.194 178.571 176.300 0.128 0.000 0.990 122 D CA 1.476 55.538 54.000 0.102 0.000 0.839 122 D CB 0.010 40.857 40.800 0.078 0.000 0.948 122 D HN 0.618 nan 8.370 nan 0.000 0.460 123 E N 0.624 120.924 120.200 0.168 0.000 2.072 123 E HA -0.071 4.279 4.350 -0.001 0.000 0.190 123 E C 2.379 179.067 176.600 0.146 0.000 0.982 123 E CA 0.026 56.522 56.400 0.161 0.000 0.803 123 E CB -0.186 29.642 29.700 0.214 0.000 0.755 123 E HN 0.200 nan 8.360 nan 0.000 0.453 124 L N 1.248 122.607 121.223 0.225 0.000 2.089 124 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 124 L C 1.993 179.011 176.870 0.247 0.000 1.079 124 L CA 1.528 56.470 54.840 0.171 0.000 0.758 124 L CB -0.107 42.128 42.059 0.292 0.000 0.891 124 L HN 0.035 nan 8.230 nan 0.000 0.433 125 S N -0.250 115.590 115.700 0.234 0.000 2.388 125 S HA -0.040 4.429 4.470 -0.001 0.000 0.223 125 S C 2.097 176.857 174.600 0.267 0.000 1.034 125 S CA 1.190 59.586 58.200 0.328 0.000 0.963 125 S CB -0.276 63.037 63.200 0.189 0.000 0.827 125 S HN 0.606 nan 8.310 nan 0.000 0.481 126 K N 1.052 121.543 120.400 0.152 0.000 2.643 126 K HA 0.254 4.573 4.320 -0.001 0.000 0.193 126 K C 1.359 177.985 176.600 0.044 0.000 1.027 126 K CA 0.665 57.006 56.287 0.089 0.000 1.033 126 K CB -1.061 31.479 32.500 0.066 0.000 0.827 126 K HN 0.496 nan 8.250 nan 0.000 0.500 127 M N -1.187 118.441 119.600 0.046 0.000 2.653 127 M HA 0.229 4.709 4.480 -0.001 0.000 0.259 127 M C 1.194 177.423 176.300 -0.117 0.000 1.244 127 M CA 0.588 55.866 55.300 -0.036 0.000 1.163 127 M CB 0.580 33.139 32.600 -0.067 0.000 1.309 127 M HN 0.480 nan 8.290 nan 0.000 0.509 128 G N 2.320 111.029 108.800 -0.152 0.000 2.901 128 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.654 128 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.654 128 G C -2.766 171.618 174.900 -0.861 0.000 1.550 128 G CA -1.176 43.566 45.100 -0.596 0.000 0.978 128 G HN 0.136 nan 8.290 nan 0.000 0.566 133 D N 2.167 122.712 120.400 0.242 0.000 2.449 133 D HA 0.262 4.901 4.640 -0.001 0.000 0.210 133 D C -0.215 176.298 176.300 0.355 0.000 1.094 133 D CA 0.909 55.116 54.000 0.346 0.000 0.846 133 D CB 1.114 42.142 40.800 0.381 0.000 1.003 133 D HN 0.705 nan 8.370 nan 0.000 0.504 134 Y N -0.288 120.080 120.300 0.114 0.000 2.687 134 Y HA 0.433 4.982 4.550 -0.001 0.000 0.338 134 Y C -2.171 173.788 175.900 0.099 0.000 1.189 134 Y CA -1.751 56.348 58.100 -0.001 0.000 1.097 134 Y CB 0.459 38.817 38.460 -0.170 0.000 1.342 134 Y HN -0.163 nan 8.280 nan 0.000 0.461 135 I N 0.672 121.215 120.570 -0.044 0.000 2.647 135 I HA 0.930 5.099 4.170 -0.001 0.000 0.295 135 I C -0.219 175.920 176.117 0.037 0.000 1.078 135 I CA -1.252 60.009 61.300 -0.064 0.000 1.048 135 I CB 2.528 40.529 38.000 0.002 0.000 1.239 135 I HN 1.070 nan 8.210 nan 0.000 0.421 136 G N 5.010 113.847 108.800 0.062 0.000 2.338 136 G HA2 0.481 4.440 3.960 -0.001 0.000 0.295 136 G HA3 0.481 4.440 3.960 -0.001 0.000 0.295 136 G C -0.393 174.484 174.900 -0.038 0.000 1.132 136 G CA -0.422 44.705 45.100 0.045 0.000 0.922 136 G HN 0.489 nan 8.290 nan 0.000 0.427 137 V N 3.823 123.701 119.914 -0.060 0.000 2.408 137 V HA 0.471 4.590 4.120 -0.001 0.000 0.267 137 V C 1.469 177.474 176.094 -0.149 0.000 1.047 137 V CA 0.586 62.821 62.300 -0.110 0.000 0.937 137 V CB 0.132 31.897 31.823 -0.097 0.000 0.999 137 V HN 1.258 nan 8.190 nan 0.000 0.472 138 G N 5.520 114.198 108.800 -0.203 0.000 2.583 138 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.965 138 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.965 138 G C 0.221 175.002 174.900 -0.197 0.000 1.335 138 G CA 0.100 45.049 45.100 -0.252 0.000 0.911 138 G HN 0.799 nan 8.290 nan 0.000 0.528 139 T N 1.400 115.835 114.554 -0.197 0.000 2.727 139 T HA 0.342 4.691 4.350 -0.001 0.000 0.295 139 T C 1.548 176.125 174.700 -0.206 0.000 0.915 139 T CA -0.603 61.407 62.100 -0.151 0.000 1.066 139 T CB 1.280 70.085 68.868 -0.106 0.000 0.891 139 T HN 0.421 nan 8.240 nan 0.000 0.516 140 L N 2.478 123.574 121.223 -0.210 0.000 2.005 140 L HA 0.257 4.596 4.340 -0.001 0.000 0.207 140 L C 0.357 176.801 176.870 -0.710 0.000 1.072 140 L CA 1.698 56.273 54.840 -0.441 0.000 0.744 140 L CB -0.560 41.299 42.059 -0.333 0.000 0.895 140 L HN 0.588 nan 8.230 nan 0.000 0.433 141 F N -2.042 117.874 119.950 -0.057 0.000 2.654 141 F HA 0.509 5.035 4.527 -0.001 0.000 0.334 141 F C -2.099 173.689 175.800 -0.020 0.000 1.078 141 F CA -2.522 55.464 58.000 -0.023 0.000 0.986 141 F CB 0.170 39.161 39.000 -0.015 0.000 1.362 141 F HN -0.285 nan 8.300 nan 0.000 0.498 142 P HA 0.266 nan 4.420 nan 0.000 0.279 142 P C -0.800 176.556 177.300 0.094 0.000 1.239 142 P CA -0.235 62.931 63.100 0.110 0.000 0.789 142 P CB 1.352 33.116 31.700 0.107 0.000 0.933 143 T N 1.824 116.411 114.554 0.055 0.000 2.993 143 T HA 0.420 4.769 4.350 -0.001 0.000 0.312 143 T C -0.032 174.685 174.700 0.029 0.000 1.115 143 T CA -0.601 61.526 62.100 0.044 0.000 1.027 143 T CB 0.371 69.252 68.868 0.021 0.000 1.116 143 T HN 0.122 nan 8.240 nan 0.000 0.464 144 L N 3.048 124.289 121.223 0.030 0.000 2.685 144 L HA 0.490 4.829 4.340 -0.001 0.000 0.233 144 L C 1.739 178.617 176.870 0.012 0.000 1.173 144 L CA 0.160 55.011 54.840 0.018 0.000 0.961 144 L CB -1.269 40.800 42.059 0.017 0.000 1.217 144 L HN 0.528 nan 8.230 nan 0.000 0.478 145 T N -0.939 113.622 114.554 0.011 0.000 2.894 145 T HA -0.005 4.344 4.350 -0.001 0.000 0.258 145 T C 0.921 175.618 174.700 -0.005 0.000 1.043 145 T CA 0.742 62.844 62.100 0.003 0.000 1.141 145 T CB 0.031 68.898 68.868 -0.001 0.000 0.873 145 T HN 0.175 nan 8.240 nan 0.000 0.449 146 K N 3.050 123.446 120.400 -0.007 0.000 2.292 146 K HA 0.161 4.481 4.320 -0.001 0.000 0.290 146 K C -0.377 176.219 176.600 -0.006 0.000 1.083 146 K CA -0.024 56.257 56.287 -0.009 0.000 0.918 146 K CB 0.205 32.697 32.500 -0.013 0.000 1.089 146 K HN -0.001 nan 8.250 nan 0.000 0.473 147 K N 3.313 123.709 120.400 -0.007 0.000 2.349 147 K HA 0.148 4.467 4.320 -0.001 0.000 0.288 147 K C -0.584 176.013 176.600 -0.006 0.000 1.058 147 K CA 0.854 57.137 56.287 -0.007 0.000 0.953 147 K CB -0.320 32.174 32.500 -0.011 0.000 0.997 147 K HN 0.944 nan 8.250 nan 0.000 0.477 148 N N 3.284 121.982 118.700 -0.004 0.000 2.467 148 N HA -0.111 4.629 4.740 -0.001 0.000 0.294 148 N C -2.637 172.871 175.510 -0.003 0.000 1.361 148 N CA 0.344 53.393 53.050 -0.003 0.000 0.665 148 N CB -1.604 36.881 38.487 -0.003 0.000 0.939 148 N HN 0.444 nan 8.380 nan 0.000 0.520 149 P HA 0.787 nan 4.420 nan 0.000 0.292 149 P C 0.236 177.537 177.300 0.001 0.000 1.300 149 P CA 0.145 63.243 63.100 -0.003 0.000 0.900 149 P CB 1.596 33.293 31.700 -0.004 0.000 1.139 150 K N 1.084 121.486 120.400 0.003 0.000 2.455 150 K HA 0.209 4.529 4.320 -0.001 0.000 0.206 150 K C 1.183 177.802 176.600 0.032 0.000 1.027 150 K CA 0.248 56.542 56.287 0.011 0.000 1.113 150 K CB -0.122 32.382 32.500 0.006 0.000 0.850 150 K HN 0.410 nan 8.250 nan 0.000 0.503 151 K N -0.796 119.620 120.400 0.027 0.000 2.274 151 K HA 0.604 4.923 4.320 -0.001 0.000 0.219 151 K C -0.249 176.375 176.600 0.039 0.000 1.058 151 K CA 0.787 57.103 56.287 0.049 0.000 0.920 151 K CB 0.858 33.347 32.500 -0.018 0.000 1.124 151 K HN 0.698 nan 8.250 nan 0.000 0.464 152 A N 1.407 124.225 122.820 -0.003 0.000 2.435 152 A HA -0.013 4.306 4.320 -0.001 0.000 0.686 152 A C -2.934 174.617 177.584 -0.054 0.000 0.138 152 A CA -1.044 50.987 52.037 -0.010 0.000 0.024 152 A CB -1.541 17.467 19.000 0.012 0.000 3.974 152 A HN 0.076 nan 8.150 nan 0.000 0.548 153 P HA 0.464 nan 4.420 nan 0.000 0.271 153 P C 0.909 178.124 177.300 -0.141 0.000 1.216 153 P CA -0.047 62.993 63.100 -0.100 0.000 0.776 153 P CB 0.627 32.301 31.700 -0.043 0.000 0.881 154 M N 1.493 120.959 119.600 -0.224 0.000 2.470 154 M HA 0.229 4.709 4.480 -0.001 0.000 0.262 154 M C 0.602 176.753 176.300 -0.249 0.000 1.211 154 M CA 0.859 56.021 55.300 -0.231 0.000 1.125 154 M CB 0.277 32.703 32.600 -0.290 0.000 1.480 154 M HN 0.645 nan 8.290 nan 0.000 0.541 155 G N 0.455 109.026 108.800 -0.382 0.000 2.829 155 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.628 155 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.628 155 G C 0.294 174.982 174.900 -0.354 0.000 1.412 155 G CA 0.026 44.852 45.100 -0.456 0.000 0.864 155 G HN 0.442 nan 8.290 nan 0.000 0.544 156 T N -1.669 112.717 114.554 -0.280 0.000 2.746 156 T HA 0.118 4.467 4.350 -0.001 0.000 0.267 156 T C 2.775 177.398 174.700 -0.129 0.000 1.039 156 T CA 2.833 64.831 62.100 -0.171 0.000 1.142 156 T CB -0.632 68.177 68.868 -0.099 0.000 0.866 156 T HN 2.175 nan 8.240 nan 0.000 0.444 157 A N 2.093 124.871 122.820 -0.071 0.000 1.927 157 A HA 0.037 4.356 4.320 -0.001 0.000 0.220 157 A C 2.721 180.254 177.584 -0.085 0.000 1.185 157 A CA 2.175 54.183 52.037 -0.047 0.000 0.639 157 A CB -1.723 17.320 19.000 0.071 0.000 0.820 157 A HN 0.657 nan 8.150 nan 0.000 0.451 158 G N -1.023 107.704 108.800 -0.122 0.000 2.404 158 G HA2 0.061 4.021 3.960 -0.001 0.000 0.215 158 G HA3 0.061 4.021 3.960 -0.001 0.000 0.215 158 G C 1.779 176.579 174.900 -0.166 0.000 1.174 158 G CA 1.375 46.382 45.100 -0.155 0.000 0.780 158 G HN 0.873 nan 8.290 nan 0.000 0.537 159 A N 0.861 123.577 122.820 -0.173 0.000 1.908 159 A HA -0.029 4.290 4.320 -0.001 0.000 0.218 159 A C 2.404 179.922 177.584 -0.111 0.000 1.181 159 A CA 1.423 53.371 52.037 -0.148 0.000 0.627 159 A CB -0.401 18.513 19.000 -0.143 0.000 0.818 159 A HN 0.390 nan 8.150 nan 0.000 0.445 160 I N -1.380 119.127 120.570 -0.105 0.000 2.127 160 I HA -0.276 3.894 4.170 -0.001 0.000 0.241 160 I C 2.695 178.774 176.117 -0.063 0.000 1.075 160 I CA 1.752 63.002 61.300 -0.082 0.000 1.334 160 I CB -0.353 37.586 38.000 -0.102 0.000 1.040 160 I HN 0.263 nan 8.210 nan 0.000 0.405 161 R N 0.180 120.641 120.500 -0.065 0.000 2.185 161 R HA -0.166 4.173 4.340 -0.001 0.000 0.247 161 R C 2.117 178.394 176.300 -0.039 0.000 1.159 161 R CA 1.205 57.280 56.100 -0.041 0.000 0.988 161 R CB -0.168 30.114 30.300 -0.031 0.000 0.871 161 R HN 0.235 nan 8.270 nan 0.000 0.458 162 V N 0.210 120.086 119.914 -0.063 0.000 2.331 162 V HA -0.167 3.953 4.120 -0.001 0.000 0.242 162 V C 2.116 178.180 176.094 -0.050 0.000 1.034 162 V CA 1.401 63.664 62.300 -0.062 0.000 1.027 162 V CB -0.274 31.490 31.823 -0.098 0.000 0.667 162 V HN 0.301 nan 8.190 nan 0.000 0.457 163 L N -0.020 121.171 121.223 -0.052 0.000 2.081 163 L HA -0.253 4.086 4.340 -0.001 0.000 0.212 163 L C 2.204 179.057 176.870 -0.028 0.000 1.080 163 L CA 1.771 56.587 54.840 -0.040 0.000 0.754 163 L CB -0.796 41.245 42.059 -0.031 0.000 0.893 163 L HN 0.359 nan 8.230 nan 0.000 0.433 164 D N -0.141 120.246 120.400 -0.021 0.000 2.310 164 D HA -0.086 4.554 4.640 -0.001 0.000 0.212 164 D C 1.870 178.164 176.300 -0.011 0.000 0.965 164 D CA 1.088 55.081 54.000 -0.011 0.000 0.879 164 D CB 0.194 40.990 40.800 -0.008 0.000 0.921 164 D HN 0.311 nan 8.370 nan 0.000 0.510 165 A N -0.602 122.209 122.820 -0.015 0.000 2.267 165 A HA 0.179 4.498 4.320 -0.001 0.000 0.213 165 A C 1.732 179.300 177.584 -0.025 0.000 1.192 165 A CA -0.105 51.927 52.037 -0.009 0.000 0.851 165 A CB -0.053 18.949 19.000 0.004 0.000 0.881 165 A HN 0.192 nan 8.150 nan 0.000 0.494 166 L N -0.628 120.567 121.223 -0.046 0.000 2.591 166 L HA 0.095 4.435 4.340 -0.001 0.000 0.228 166 L C 1.634 178.462 176.870 -0.070 0.000 1.133 166 L CA 0.276 55.063 54.840 -0.088 0.000 0.880 166 L CB 0.059 42.054 42.059 -0.107 0.000 1.033 166 L HN 0.319 nan 8.230 nan 0.000 0.450 167 E N -0.446 119.735 120.200 -0.032 0.000 2.357 167 E HA -0.000 4.349 4.350 -0.001 0.000 0.202 167 E C 1.822 178.423 176.600 0.001 0.000 0.855 167 E CA -0.018 56.375 56.400 -0.012 0.000 1.048 167 E CB 0.063 29.760 29.700 -0.006 0.000 1.037 167 E HN 0.252 nan 8.360 nan 0.000 0.499 168 R N 1.598 122.099 120.500 0.001 0.000 2.112 168 R HA -0.160 4.179 4.340 -0.001 0.000 0.242 168 R C 1.272 177.585 176.300 0.021 0.000 1.137 168 R CA 2.202 58.308 56.100 0.010 0.000 0.944 168 R CB -0.135 30.171 30.300 0.010 0.000 0.857 168 R HN 0.009 nan 8.270 nan 0.000 0.435 169 N N 0.370 119.080 118.700 0.018 0.000 2.412 169 N HA -0.057 4.683 4.740 -0.001 0.000 0.184 169 N C -0.572 174.966 175.510 0.046 0.000 1.101 169 N CA 0.512 53.585 53.050 0.038 0.000 0.881 169 N CB 0.097 38.604 38.487 0.034 0.000 0.969 169 N HN 0.333 nan 8.380 nan 0.000 0.459 170 N N 0.340 119.052 118.700 0.021 0.000 2.614 170 N HA -0.261 4.479 4.740 -0.001 0.000 0.276 170 N C -0.969 174.576 175.510 0.059 0.000 1.119 170 N CA 0.596 53.675 53.050 0.050 0.000 0.742 170 N CB -0.752 37.790 38.487 0.091 0.000 0.900 170 N HN 0.257 nan 8.380 nan 0.000 0.549 171 A N 3.379 126.079 122.820 -0.199 0.000 3.249 171 A HA 0.216 4.535 4.320 -0.001 0.000 0.297 171 A C 1.464 178.687 177.584 -0.601 0.000 1.302 171 A CA 0.001 51.567 52.037 -0.785 0.000 1.074 171 A CB -0.300 17.969 19.000 -1.220 0.000 1.132 171 A HN 0.738 nan 8.150 nan 0.000 0.575 172 H N -0.592 118.392 119.070 -0.143 0.000 2.407 172 H HA -0.288 4.267 4.556 -0.001 0.000 0.293 172 H C 1.461 176.785 175.328 -0.008 0.000 1.122 172 H CA 2.148 58.185 56.048 -0.019 0.000 1.232 172 H CB -0.856 28.972 29.762 0.109 0.000 1.361 172 H HN 0.926 nan 8.280 nan 0.000 0.498 173 W N 1.252 122.247 121.300 -0.508 0.000 3.047 173 W HA 0.313 4.972 4.660 -0.001 0.000 0.250 173 W C 0.170 176.628 176.519 -0.103 0.000 1.314 173 W CA -0.813 56.317 57.345 -0.358 0.000 1.540 173 W CB -0.640 28.518 29.460 -0.504 0.000 1.127 173 W HN 0.205 nan 8.180 nan 0.000 0.679 174 C N 4.488 123.494 119.300 -0.491 0.000 2.322 174 C HA 0.593 5.053 4.460 -0.001 0.000 0.324 174 C C 0.389 175.287 174.990 -0.154 0.000 1.284 174 C CA -1.052 57.775 59.018 -0.318 0.000 1.606 174 C CB 0.201 27.567 27.740 -0.624 0.000 2.251 174 C HN 0.210 nan 8.230 nan 0.000 0.502 175 R N 2.646 123.114 120.500 -0.054 0.000 2.608 175 R HA 0.693 5.032 4.340 -0.001 0.000 0.255 175 R C 0.041 176.276 176.300 -0.109 0.000 1.086 175 R CA -0.210 55.821 56.100 -0.114 0.000 1.125 175 R CB 1.385 31.543 30.300 -0.237 0.000 1.193 175 R HN 0.880 nan 8.270 nan 0.000 0.553 176 T N -2.660 111.821 114.554 -0.123 0.000 2.900 176 T HA 0.626 4.976 4.350 -0.001 0.000 0.295 176 T C -0.412 174.260 174.700 -0.047 0.000 1.044 176 T CA -0.771 61.294 62.100 -0.058 0.000 0.995 176 T CB 1.525 70.365 68.868 -0.045 0.000 1.072 176 T HN 0.347 nan 8.240 nan 0.000 0.473 177 V N -0.165 119.765 119.914 0.027 0.000 2.789 177 V HA 0.961 5.081 4.120 -0.001 0.000 0.311 177 V C 0.460 176.566 176.094 0.020 0.000 1.073 177 V CA -0.880 61.456 62.300 0.060 0.000 0.921 177 V CB 1.410 33.343 31.823 0.183 0.000 1.009 177 V HN 1.320 nan 8.190 nan 0.000 0.426 178 G N 2.535 111.336 108.800 0.001 0.000 2.377 178 G HA2 0.719 4.678 3.960 -0.001 0.000 0.299 178 G HA3 0.719 4.678 3.960 -0.001 0.000 0.299 178 G C -0.993 173.882 174.900 -0.042 0.000 1.150 178 G CA -0.593 44.487 45.100 -0.032 0.000 0.847 178 G HN 0.980 nan 8.290 nan 0.000 0.501 179 I N 0.264 120.795 120.570 -0.065 0.000 2.802 179 I HA 0.644 4.813 4.170 -0.001 0.000 0.298 179 I C -0.071 176.006 176.117 -0.067 0.000 1.176 179 I CA -0.238 61.014 61.300 -0.081 0.000 1.025 179 I CB 2.141 40.072 38.000 -0.115 0.000 1.243 179 I HN 1.190 nan 8.210 nan 0.000 0.424 180 G N 4.237 112.997 108.800 -0.068 0.000 3.383 180 G HA2 0.337 4.296 3.960 -0.001 0.000 0.685 180 G HA3 0.337 4.296 3.960 -0.001 0.000 0.685 180 G C 0.460 175.364 174.900 0.006 0.000 1.104 180 G CA -0.313 44.758 45.100 -0.048 0.000 0.957 180 G HN 1.860 nan 8.290 nan 0.000 0.461 181 G N -0.222 108.529 108.800 -0.082 0.000 2.176 181 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.253 181 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.253 181 G C 0.455 175.180 174.900 -0.292 0.000 0.979 181 G CA 0.461 45.501 45.100 -0.101 0.000 0.641 181 G HN 1.608 nan 8.290 nan 0.000 0.530 182 L N 1.966 123.017 121.223 -0.288 0.000 2.360 182 L HA 0.584 4.923 4.340 -0.001 0.000 0.276 182 L C 0.709 177.288 176.870 -0.485 0.000 1.121 182 L CA -0.048 54.618 54.840 -0.291 0.000 0.845 182 L CB 0.127 42.107 42.059 -0.131 0.000 1.143 182 L HN 0.240 nan 8.230 nan 0.000 0.452 183 H N 3.963 122.953 119.070 -0.133 0.000 2.960 183 H HA 0.387 4.942 4.556 -0.001 0.000 0.303 183 H C -1.753 173.507 175.328 -0.113 0.000 1.412 183 H CA -1.652 54.331 56.048 -0.108 0.000 1.227 183 H CB 1.046 30.738 29.762 -0.117 0.000 1.912 183 H HN 0.137 nan 8.280 nan 0.000 0.583 184 P HA -0.079 nan 4.420 nan 0.000 0.223 184 P C 0.733 178.009 177.300 -0.039 0.000 1.151 184 P CA 1.182 64.278 63.100 -0.006 0.000 0.787 184 P CB 0.151 31.851 31.700 0.000 0.000 0.788 185 D N -0.610 119.763 120.400 -0.043 0.000 2.338 185 D HA -0.076 4.564 4.640 -0.001 0.000 0.239 185 D C 0.554 176.772 176.300 -0.137 0.000 1.095 185 D CA 0.497 54.452 54.000 -0.076 0.000 0.888 185 D CB -0.775 39.974 40.800 -0.085 0.000 0.899 185 D HN 0.428 nan 8.370 nan 0.000 0.525 186 N N -1.328 117.265 118.700 -0.178 0.000 1.856 186 N HA 0.004 4.744 4.740 -0.001 0.000 0.223 186 N C 1.166 176.534 175.510 -0.238 0.000 1.438 186 N CA -0.354 52.540 53.050 -0.259 0.000 0.693 186 N CB -0.597 37.599 38.487 -0.485 0.000 1.051 186 N HN -0.054 nan 8.380 nan 0.000 0.563 187 I N 1.767 122.213 120.570 -0.205 0.000 2.226 187 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 187 I C 2.169 178.080 176.117 -0.342 0.000 1.100 187 I CA 1.572 62.753 61.300 -0.198 0.000 1.374 187 I CB -0.055 37.865 38.000 -0.133 0.000 1.057 187 I HN 0.277 nan 8.210 nan 0.000 0.413 188 E N 0.368 120.287 120.200 -0.469 0.000 2.017 188 E HA -0.288 4.061 4.350 -0.001 0.000 0.193 188 E C 2.235 178.296 176.600 -0.898 0.000 0.997 188 E CA 1.277 57.156 56.400 -0.869 0.000 0.804 188 E CB -0.266 28.821 29.700 -1.022 0.000 0.757 188 E HN 0.323 nan 8.360 nan 0.000 0.448 189 R N 0.975 121.035 120.500 -0.734 0.000 2.133 189 R HA -0.197 4.143 4.340 -0.001 0.000 0.247 189 R C 2.132 178.333 176.300 -0.164 0.000 1.151 189 R CA 1.501 57.421 56.100 -0.299 0.000 0.971 189 R CB -0.321 29.915 30.300 -0.106 0.000 0.866 189 R HN 0.060 nan 8.270 nan 0.000 0.447 190 V N 0.894 120.713 119.914 -0.157 0.000 2.255 190 V HA -0.220 3.899 4.120 -0.001 0.000 0.243 190 V C 2.337 178.362 176.094 -0.115 0.000 1.038 190 V CA 1.402 63.666 62.300 -0.059 0.000 1.008 190 V CB -0.476 31.363 31.823 0.027 0.000 0.645 190 V HN 0.265 nan 8.190 nan 0.000 0.449 191 L N -0.642 120.447 121.223 -0.223 0.000 2.021 191 L HA -0.276 4.063 4.340 -0.001 0.000 0.215 191 L C 2.233 179.035 176.870 -0.112 0.000 1.074 191 L CA 2.235 56.937 54.840 -0.230 0.000 0.760 191 L CB -1.273 40.473 42.059 -0.522 0.000 0.889 191 L HN 0.470 nan 8.230 nan 0.000 0.433 192 Y N 0.496 120.578 120.300 -0.363 0.000 2.097 192 Y HA -0.338 4.211 4.550 -0.001 0.000 0.282 192 Y C 2.406 178.272 175.900 -0.057 0.000 1.152 192 Y CA 1.536 59.572 58.100 -0.107 0.000 1.136 192 Y CB 0.205 38.658 38.460 -0.011 0.000 0.975 192 Y HN 0.463 nan 8.280 nan 0.000 0.498 193 Q N -1.472 118.283 119.800 -0.076 0.000 2.356 193 Q HA 0.120 4.459 4.340 -0.001 0.000 0.205 193 Q C 0.616 176.524 176.000 -0.152 0.000 0.901 193 Q CA 0.104 55.769 55.803 -0.230 0.000 0.938 193 Q CB -0.029 28.520 28.738 -0.315 0.000 1.081 193 Q HN 0.215 nan 8.270 nan 0.000 0.517 194 C N 2.931 122.183 119.300 -0.080 0.000 2.756 194 C HA 0.445 4.905 4.460 -0.001 0.000 0.504 194 C C 0.325 175.299 174.990 -0.028 0.000 1.028 194 C CA -0.875 58.103 59.018 -0.066 0.000 1.167 194 C CB -1.564 26.144 27.740 -0.054 0.000 1.444 194 C HN 0.404 nan 8.230 nan 0.000 0.577 195 V N 2.275 122.167 119.914 -0.036 0.000 2.876 195 V HA 0.796 4.915 4.120 -0.001 0.000 0.312 195 V C 0.101 176.226 176.094 0.052 0.000 1.085 195 V CA -0.314 62.003 62.300 0.028 0.000 0.945 195 V CB 2.072 33.943 31.823 0.081 0.000 1.017 195 V HN 0.527 nan 8.190 nan 0.000 0.428 196 S N 3.705 119.451 115.700 0.076 0.000 2.576 196 S HA 0.140 4.610 4.470 -0.001 0.000 0.272 196 S C 1.211 175.906 174.600 0.158 0.000 1.352 196 S CA 0.653 58.898 58.200 0.074 0.000 1.021 196 S CB 1.043 64.270 63.200 0.045 0.000 0.887 196 S HN 1.177 nan 8.310 nan 0.000 0.542 197 S N 2.115 117.881 115.700 0.110 0.000 2.447 197 S HA -0.104 4.365 4.470 -0.001 0.000 0.233 197 S C 1.398 175.997 174.600 -0.001 0.000 1.006 197 S CA 1.450 59.725 58.200 0.124 0.000 0.957 197 S CB -0.732 62.496 63.200 0.048 0.000 0.773 197 S HN 0.945 nan 8.310 nan 0.000 0.507 198 N N 0.195 118.893 118.700 -0.004 0.000 2.336 198 N HA 0.289 5.028 4.740 -0.001 0.000 0.189 198 N C 1.089 176.578 175.510 -0.034 0.000 1.113 198 N CA 0.646 53.659 53.050 -0.061 0.000 0.858 198 N CB -0.010 38.455 38.487 -0.037 0.000 0.970 198 N HN 0.254 nan 8.380 nan 0.000 0.471 199 G N -0.675 108.166 108.800 0.068 0.000 2.267 199 G HA2 -0.479 3.480 3.960 -0.001 0.000 0.257 199 G HA3 -0.479 3.480 3.960 -0.001 0.000 0.257 199 G C 1.309 176.269 174.900 0.101 0.000 0.998 199 G CA 0.936 46.126 45.100 0.149 0.000 0.620 199 G HN 0.756 nan 8.290 nan 0.000 0.529 200 K N 0.506 120.940 120.400 0.056 0.000 1.973 200 K HA 0.172 4.491 4.320 -0.001 0.000 0.212 200 K C 1.511 178.143 176.600 0.052 0.000 1.047 200 K CA 1.909 58.222 56.287 0.044 0.000 0.937 200 K CB -0.336 32.179 32.500 0.026 0.000 0.721 200 K HN 0.892 nan 8.250 nan 0.000 0.440 201 R N 1.078 121.606 120.500 0.046 0.000 2.294 201 R HA 0.328 4.667 4.340 -0.001 0.000 0.319 201 R C -0.183 176.143 176.300 0.043 0.000 0.984 201 R CA 0.338 56.459 56.100 0.036 0.000 0.861 201 R CB 1.249 31.556 30.300 0.013 0.000 1.104 201 R HN 0.624 nan 8.270 nan 0.000 0.451 202 S N 4.460 120.188 115.700 0.047 0.000 2.786 202 S HA 0.485 4.955 4.470 -0.001 0.000 0.302 202 S C 0.171 174.786 174.600 0.026 0.000 1.080 202 S CA -0.935 57.292 58.200 0.044 0.000 0.925 202 S CB 0.550 63.793 63.200 0.073 0.000 1.325 202 S HN 0.482 nan 8.310 nan 0.000 0.576 203 L N 1.095 122.335 121.223 0.027 0.000 2.453 203 L HA 0.337 4.676 4.340 -0.001 0.000 0.261 203 L C 0.637 177.528 176.870 0.036 0.000 1.179 203 L CA -0.299 54.551 54.840 0.017 0.000 0.813 203 L CB 0.296 42.362 42.059 0.012 0.000 1.110 203 L HN 0.748 nan 8.230 nan 0.000 0.466 204 D N 0.505 120.920 120.400 0.025 0.000 2.423 204 D HA 0.194 4.833 4.640 -0.001 0.000 0.208 204 D C 0.511 176.868 176.300 0.096 0.000 1.068 204 D CA 0.367 54.398 54.000 0.053 0.000 0.860 204 D CB 1.494 42.302 40.800 0.013 0.000 0.992 204 D HN 0.672 nan 8.370 nan 0.000 0.504 205 G N 0.524 109.375 108.800 0.085 0.000 2.703 205 G HA2 0.509 4.469 3.960 -0.001 0.000 0.294 205 G HA3 0.509 4.469 3.960 -0.001 0.000 0.294 205 G C -1.467 173.491 174.900 0.096 0.000 1.451 205 G CA -0.599 44.575 45.100 0.124 0.000 0.869 205 G HN -0.050 nan 8.290 nan 0.000 0.516 206 I N 0.159 120.781 120.570 0.087 0.000 2.437 206 I HA 0.481 4.651 4.170 -0.001 0.000 0.298 206 I C -0.345 175.813 176.117 0.067 0.000 0.984 206 I CA -0.607 60.723 61.300 0.049 0.000 1.214 206 I CB 1.881 39.892 38.000 0.017 0.000 1.365 206 I HN 0.525 nan 8.210 nan 0.000 0.469 207 C N 8.103 127.409 119.300 0.010 0.000 2.346 207 C HA 0.723 5.183 4.460 -0.001 0.000 0.326 207 C C -0.365 174.572 174.990 -0.088 0.000 1.224 207 C CA -0.329 58.664 59.018 -0.042 0.000 1.408 207 C CB 0.001 27.649 27.740 -0.153 0.000 2.089 207 C HN 0.572 nan 8.230 nan 0.000 0.456 208 V N 5.006 124.876 119.914 -0.073 0.000 2.815 208 V HA 0.852 4.971 4.120 -0.001 0.000 0.314 208 V C -0.149 175.899 176.094 -0.076 0.000 1.064 208 V CA -0.342 61.907 62.300 -0.086 0.000 0.952 208 V CB 1.457 33.244 31.823 -0.060 0.000 1.020 208 V HN 0.604 nan 8.190 nan 0.000 0.439 209 V N 1.869 121.741 119.914 -0.070 0.000 2.950 209 V HA 0.034 4.153 4.120 -0.001 0.000 0.231 209 V C 2.370 178.460 176.094 -0.007 0.000 1.205 209 V CA 1.627 63.902 62.300 -0.042 0.000 1.239 209 V CB 0.843 32.637 31.823 -0.047 0.000 1.050 209 V HN 1.093 nan 8.190 nan 0.000 0.498 210 S N -0.309 115.397 115.700 0.012 0.000 2.470 210 S HA -0.148 4.322 4.470 -0.001 0.000 0.225 210 S C 1.491 176.149 174.600 0.097 0.000 1.006 210 S CA 1.453 59.688 58.200 0.059 0.000 0.934 210 S CB -0.272 62.983 63.200 0.092 0.000 0.778 210 S HN 0.550 nan 8.310 nan 0.000 0.517 211 D N 1.060 121.532 120.400 0.120 0.000 2.264 211 D HA 0.056 4.695 4.640 -0.001 0.000 0.208 211 D C 1.453 177.792 176.300 0.064 0.000 0.966 211 D CA 1.087 55.178 54.000 0.151 0.000 0.864 211 D CB -0.072 40.840 40.800 0.185 0.000 0.933 211 D HN 0.591 nan 8.370 nan 0.000 0.499 212 I N -0.678 119.914 120.570 0.037 0.000 3.341 212 I HA -0.054 4.116 4.170 -0.001 0.000 0.243 212 I C 1.874 178.001 176.117 0.016 0.000 1.094 212 I CA -0.282 61.029 61.300 0.019 0.000 1.507 212 I CB -0.098 37.907 38.000 0.008 0.000 1.441 212 I HN -0.104 nan 8.210 nan 0.000 0.465 213 I N 1.998 122.577 120.570 0.014 0.000 2.185 213 I HA -0.276 3.893 4.170 -0.001 0.000 0.246 213 I C 2.216 178.343 176.117 0.017 0.000 1.088 213 I CA 1.746 63.054 61.300 0.014 0.000 1.347 213 I CB -1.430 36.578 38.000 0.014 0.000 1.041 213 I HN 0.238 nan 8.210 nan 0.000 0.415 214 A N 0.004 122.836 122.820 0.019 0.000 2.411 214 A HA 0.180 4.499 4.320 -0.001 0.000 0.251 214 A C 1.028 178.618 177.584 0.010 0.000 1.317 214 A CA 0.013 52.060 52.037 0.015 0.000 0.904 214 A CB -0.336 18.674 19.000 0.017 0.000 0.993 214 A HN 0.265 nan 8.150 nan 0.000 0.504 215 S N -0.317 115.389 115.700 0.010 0.000 2.480 215 S HA 0.465 4.934 4.470 -0.001 0.000 0.286 215 S C 0.671 175.273 174.600 0.004 0.000 1.180 215 S CA -0.627 57.575 58.200 0.004 0.000 1.075 215 S CB 0.325 63.529 63.200 0.006 0.000 0.996 215 S HN 0.368 nan 8.310 nan 0.000 0.487 216 L N 3.399 124.621 121.223 -0.001 0.000 2.711 216 L HA 0.345 4.684 4.340 -0.001 0.000 0.242 216 L C 0.312 177.183 176.870 0.002 0.000 1.153 216 L CA 0.318 55.158 54.840 0.001 0.000 0.898 216 L CB -0.459 41.598 42.059 -0.004 0.000 1.044 216 L HN 0.530 nan 8.230 nan 0.000 0.437 217 D N -0.839 119.563 120.400 0.003 0.000 2.484 217 D HA 0.202 4.842 4.640 -0.001 0.000 0.223 217 D C 0.646 176.949 176.300 0.004 0.000 1.350 217 D CA 0.262 54.265 54.000 0.004 0.000 0.940 217 D CB 0.546 41.348 40.800 0.003 0.000 1.525 217 D HN -0.045 nan 8.370 nan 0.000 0.504 218 A N 2.496 125.319 122.820 0.005 0.000 1.902 218 A HA 0.106 4.426 4.320 -0.001 0.000 0.217 218 A C 2.330 179.915 177.584 0.001 0.000 1.181 218 A CA 2.141 54.179 52.037 0.002 0.000 0.623 218 A CB -0.592 18.407 19.000 -0.002 0.000 0.818 218 A HN 0.707 nan 8.150 nan 0.000 0.443 219 A N -0.002 122.820 122.820 0.002 0.000 1.896 219 A HA -0.328 3.991 4.320 -0.001 0.000 0.220 219 A C 2.158 179.745 177.584 0.005 0.000 1.206 219 A CA 2.608 54.647 52.037 0.003 0.000 0.647 219 A CB -0.649 18.355 19.000 0.008 0.000 0.828 219 A HN 0.602 nan 8.150 nan 0.000 0.455 220 K N -0.784 119.619 120.400 0.005 0.000 2.001 220 K HA -0.097 4.223 4.320 -0.001 0.000 0.208 220 K C 2.261 178.864 176.600 0.005 0.000 1.048 220 K CA 1.573 57.863 56.287 0.005 0.000 0.932 220 K CB -0.235 32.266 32.500 0.003 0.000 0.715 220 K HN 0.428 nan 8.250 nan 0.000 0.437 221 S N 0.117 115.820 115.700 0.005 0.000 2.399 221 S HA -0.110 4.360 4.470 -0.001 0.000 0.231 221 S C 1.776 176.382 174.600 0.010 0.000 1.022 221 S CA 1.721 59.926 58.200 0.008 0.000 0.983 221 S CB -0.251 62.955 63.200 0.010 0.000 0.803 221 S HN 0.445 nan 8.310 nan 0.000 0.480 222 T N 1.763 116.321 114.554 0.007 0.000 2.896 222 T HA 0.015 4.364 4.350 -0.001 0.000 0.263 222 T C 2.428 177.133 174.700 0.009 0.000 1.050 222 T CA 1.510 63.614 62.100 0.006 0.000 1.140 222 T CB -0.416 68.451 68.868 -0.002 0.000 0.877 222 T HN 0.596 nan 8.240 nan 0.000 0.457 223 K N 1.720 122.126 120.400 0.009 0.000 2.009 223 K HA -0.071 4.248 4.320 -0.001 0.000 0.210 223 K C 2.114 178.722 176.600 0.014 0.000 1.049 223 K CA 1.822 58.116 56.287 0.011 0.000 0.929 223 K CB -1.418 31.088 32.500 0.011 0.000 0.714 223 K HN 0.558 nan 8.250 nan 0.000 0.440 224 I N 0.615 121.193 120.570 0.013 0.000 2.142 224 I HA -0.252 3.918 4.170 -0.001 0.000 0.240 224 I C 2.648 178.776 176.117 0.018 0.000 1.078 224 I CA 1.369 62.678 61.300 0.015 0.000 1.343 224 I CB -0.507 37.500 38.000 0.012 0.000 1.046 224 I HN 0.193 nan 8.210 nan 0.000 0.405 225 L N 0.314 121.546 121.223 0.016 0.000 2.013 225 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 225 L C 2.865 179.749 176.870 0.023 0.000 1.073 225 L CA 1.405 56.254 54.840 0.016 0.000 0.753 225 L CB -0.648 41.419 42.059 0.014 0.000 0.890 225 L HN 0.228 nan 8.230 nan 0.000 0.432 226 R N 0.682 121.196 120.500 0.023 0.000 2.094 226 R HA -0.151 4.189 4.340 -0.001 0.000 0.239 226 R C 2.224 178.545 176.300 0.035 0.000 1.137 226 R CA 1.811 57.928 56.100 0.027 0.000 0.943 226 R CB -1.397 28.915 30.300 0.021 0.000 0.850 226 R HN 0.368 nan 8.270 nan 0.000 0.433 227 G N 0.332 109.151 108.800 0.032 0.000 2.547 227 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.221 227 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.221 227 G C 1.136 176.070 174.900 0.057 0.000 1.140 227 G CA 1.364 46.486 45.100 0.037 0.000 0.760 227 G HN 0.264 nan 8.290 nan 0.000 0.583 228 L N 0.559 121.820 121.223 0.064 0.000 2.023 228 L HA 0.132 4.472 4.340 -0.001 0.000 0.205 228 L C 2.901 179.867 176.870 0.160 0.000 1.073 228 L CA 0.900 55.801 54.840 0.101 0.000 0.745 228 L CB -0.848 41.237 42.059 0.043 0.000 0.900 228 L HN 0.213 nan 8.230 nan 0.000 0.435 229 I N 0.444 121.080 120.570 0.109 0.000 2.335 229 I HA -0.256 3.913 4.170 -0.001 0.000 0.251 229 I C 1.137 177.339 176.117 0.142 0.000 1.129 229 I CA 1.575 62.954 61.300 0.132 0.000 1.402 229 I CB -0.466 37.580 38.000 0.077 0.000 1.069 229 I HN 0.437 nan 8.210 nan 0.000 0.424 230 D N -0.251 120.199 120.400 0.084 0.000 2.440 230 D HA 0.056 4.695 4.640 -0.001 0.000 0.216 230 D C 0.615 176.912 176.300 -0.005 0.000 1.150 230 D CA -0.257 53.766 54.000 0.038 0.000 0.832 230 D CB -0.070 40.745 40.800 0.026 0.000 0.992 230 D HN 0.086 nan 8.370 nan 0.000 0.502 231 K N 0.145 120.550 120.400 0.008 0.000 2.126 231 K HA 0.292 4.611 4.320 -0.001 0.000 0.257 231 K C 0.573 176.982 176.600 -0.318 0.000 1.007 231 K CA 0.140 56.386 56.287 -0.069 0.000 0.928 231 K CB 0.816 33.330 32.500 0.022 0.000 1.013 231 K HN 0.080 nan 8.250 nan 0.000 0.473 232 T N -1.730 112.580 114.554 -0.405 0.000 3.004 232 T HA 0.186 4.535 4.350 -0.001 0.000 0.266 232 T C -0.517 173.803 174.700 -0.633 0.000 0.986 232 T CA -0.337 61.372 62.100 -0.652 0.000 0.902 232 T CB 0.229 68.904 68.868 -0.322 0.000 1.118 232 T HN 0.483 nan 8.240 nan 0.000 0.522 233 D N 1.516 121.704 120.400 -0.352 0.000 2.381 233 D HA 0.343 4.983 4.640 -0.001 0.000 0.235 233 D C -1.709 174.646 176.300 0.092 0.000 1.068 233 D CA -0.473 53.442 54.000 -0.143 0.000 0.832 233 D CB 0.994 41.744 40.800 -0.083 0.000 1.101 233 D HN 0.175 nan 8.370 nan 0.000 0.515 234 Y N 2.854 123.166 120.300 0.020 0.000 2.676 234 Y HA 0.285 4.834 4.550 -0.001 0.000 0.338 234 Y C -0.218 175.740 175.900 0.096 0.000 1.057 234 Y CA -1.428 56.762 58.100 0.151 0.000 1.314 234 Y CB 0.333 38.894 38.460 0.170 0.000 1.164 234 Y HN 0.109 nan 8.280 nan 0.000 0.509 235 K N 6.437 126.796 120.400 -0.068 0.000 2.142 235 K HA 0.131 4.451 4.320 -0.001 0.000 0.250 235 K C 0.313 176.697 176.600 -0.360 0.000 1.148 235 K CA -0.113 56.031 56.287 -0.238 0.000 1.040 235 K CB -0.979 31.450 32.500 -0.119 0.000 1.569 235 K HN 0.611 nan 8.250 nan 0.000 0.361 236 F N 1.151 120.763 119.950 -0.564 0.000 2.416 236 F HA 0.167 4.694 4.527 -0.001 0.000 0.296 236 F C 0.366 176.052 175.800 -0.189 0.000 1.099 236 F CA -0.566 57.111 58.000 -0.538 0.000 1.427 236 F CB 0.089 38.678 39.000 -0.685 0.000 1.079 236 F HN 0.070 nan 8.300 nan 0.000 0.536 237 V N 1.986 121.536 119.914 -0.607 0.000 2.628 237 V HA 0.347 4.467 4.120 -0.001 0.000 0.306 237 V C -0.448 175.502 176.094 -0.238 0.000 1.045 237 V CA -0.993 61.139 62.300 -0.279 0.000 0.905 237 V CB 1.537 33.194 31.823 -0.278 0.000 0.997 237 V HN 0.308 nan 8.190 nan 0.000 0.436 238 N N 6.267 124.899 118.700 -0.113 0.000 3.193 238 N HA 0.301 5.041 4.740 -0.001 0.000 0.312 238 N C -0.745 174.718 175.510 -0.078 0.000 1.261 238 N CA 0.303 53.296 53.050 -0.094 0.000 1.208 238 N CB -0.836 37.609 38.487 -0.069 0.000 1.471 238 N HN 0.617 nan 8.380 nan 0.000 0.548 239 I N -1.317 119.189 120.570 -0.108 0.000 3.006 239 I HA 0.391 4.561 4.170 -0.001 0.000 0.306 239 I C 0.778 176.844 176.117 -0.085 0.000 1.250 239 I CA -1.640 59.622 61.300 -0.063 0.000 0.996 239 I CB 1.996 39.975 38.000 -0.035 0.000 1.261 239 I HN 0.115 nan 8.210 nan 0.000 0.442 240 G N 2.568 111.347 108.800 -0.036 0.000 2.569 240 G HA2 0.548 4.508 3.960 -0.001 0.000 0.249 240 G HA3 0.548 4.508 3.960 -0.001 0.000 0.249 240 G C -1.006 173.872 174.900 -0.037 0.000 1.216 240 G CA -0.147 44.934 45.100 -0.033 0.000 0.845 240 G HN 0.353 nan 8.290 nan 0.000 0.568 241 L N 0.952 122.151 121.223 -0.040 0.000 2.518 241 L HA 0.535 4.874 4.340 -0.001 0.000 0.262 241 L C -0.077 176.790 176.870 -0.004 0.000 0.982 241 L CA -0.326 54.505 54.840 -0.015 0.000 0.873 241 L CB 1.459 43.494 42.059 -0.040 0.000 1.198 241 L HN 0.480 nan 8.230 nan 0.000 0.427 247 L N 3.046 124.412 121.223 0.238 0.000 2.788 247 L HA -0.087 4.253 4.340 -0.001 0.000 0.337 247 L C 0.791 177.756 176.870 0.158 0.000 1.269 247 L CA 0.815 55.732 54.840 0.129 0.000 0.842 247 L CB 0.087 42.185 42.059 0.065 0.000 1.070 247 L HN 0.629 nan 8.230 nan 0.000 0.559 248 T N 0.661 115.280 114.554 0.108 0.000 2.749 248 T HA 0.277 4.626 4.350 -0.001 0.000 0.295 248 T C 0.339 174.981 174.700 -0.097 0.000 0.936 248 T CA -0.654 61.436 62.100 -0.017 0.000 1.060 248 T CB 0.754 69.606 68.868 -0.026 0.000 0.904 248 T HN 0.721 nan 8.240 nan 0.000 0.500 249 T N 0.708 115.170 114.554 -0.153 0.000 2.910 249 T HA 0.154 4.504 4.350 -0.001 0.000 0.293 249 T C 1.613 176.214 174.700 -0.164 0.000 1.015 249 T CA -0.616 61.409 62.100 -0.124 0.000 1.094 249 T CB 0.912 69.722 68.868 -0.097 0.000 0.968 249 T HN 0.424 nan 8.240 nan 0.000 0.521 250 T N 1.491 115.951 114.554 -0.157 0.000 2.778 250 T HA -0.133 4.217 4.350 -0.001 0.000 0.269 250 T C 1.435 176.016 174.700 -0.199 0.000 1.050 250 T CA 1.648 63.621 62.100 -0.210 0.000 1.137 250 T CB -0.449 68.299 68.868 -0.199 0.000 0.860 250 T HN 0.695 nan 8.240 nan 0.000 0.468 251 D N 0.532 120.842 120.400 -0.149 0.000 2.224 251 D HA -0.035 4.605 4.640 -0.001 0.000 0.205 251 D C 2.069 178.291 176.300 -0.129 0.000 0.965 251 D CA 0.792 54.718 54.000 -0.124 0.000 0.852 251 D CB 0.038 40.784 40.800 -0.090 0.000 0.947 251 D HN 0.569 nan 8.370 nan 0.000 0.494 252 E N 0.695 120.797 120.200 -0.164 0.000 2.046 252 E HA -0.037 4.312 4.350 -0.001 0.000 0.190 252 E C 2.386 178.892 176.600 -0.156 0.000 0.982 252 E CA 0.267 56.554 56.400 -0.187 0.000 0.800 252 E CB 0.128 29.622 29.700 -0.343 0.000 0.756 252 E HN 0.232 nan 8.360 nan 0.000 0.449 253 I N 1.450 121.915 120.570 -0.176 0.000 2.335 253 I HA -0.337 3.833 4.170 -0.001 0.000 0.251 253 I C 2.772 178.821 176.117 -0.112 0.000 1.129 253 I CA 1.296 62.512 61.300 -0.141 0.000 1.402 253 I CB -0.279 37.585 38.000 -0.228 0.000 1.069 253 I HN 0.213 nan 8.210 nan 0.000 0.424 254 Q N 1.105 120.819 119.800 -0.143 0.000 2.016 254 Q HA -0.212 4.127 4.340 -0.001 0.000 0.200 254 Q C 2.281 178.251 176.000 -0.051 0.000 0.978 254 Q CA 2.492 58.237 55.803 -0.097 0.000 0.833 254 Q CB -0.057 28.613 28.738 -0.113 0.000 0.895 254 Q HN 0.522 nan 8.270 nan 0.000 0.427 255 S N -0.532 115.135 115.700 -0.054 0.000 2.481 255 S HA -0.038 4.431 4.470 -0.001 0.000 0.231 255 S C 1.823 176.412 174.600 -0.018 0.000 0.996 255 S CA 0.538 58.719 58.200 -0.033 0.000 0.942 255 S CB -0.327 62.854 63.200 -0.032 0.000 0.768 255 S HN 0.448 nan 8.310 nan 0.000 0.520 256 I N 1.488 122.048 120.570 -0.017 0.000 2.193 256 I HA -0.086 4.084 4.170 -0.001 0.000 0.240 256 I C 2.311 178.437 176.117 0.015 0.000 1.084 256 I CA 1.290 62.594 61.300 0.006 0.000 1.365 256 I CB -0.307 37.701 38.000 0.014 0.000 1.064 256 I HN 0.280 nan 8.210 nan 0.000 0.410 257 I N 0.058 120.644 120.570 0.027 0.000 2.454 257 I HA -0.237 3.932 4.170 -0.001 0.000 0.254 257 I C 2.499 178.620 176.117 0.007 0.000 1.156 257 I CA 0.988 62.311 61.300 0.039 0.000 1.433 257 I CB -0.434 37.623 38.000 0.094 0.000 1.082 257 I HN 0.193 nan 8.210 nan 0.000 0.432 258 S N 0.911 116.608 115.700 -0.005 0.000 2.345 258 S HA -0.116 4.354 4.470 -0.001 0.000 0.220 258 S C 1.791 176.375 174.600 -0.027 0.000 1.031 258 S CA 1.066 59.255 58.200 -0.018 0.000 0.996 258 S CB -0.309 62.880 63.200 -0.019 0.000 0.882 258 S HN 0.455 nan 8.310 nan 0.000 0.445 259 N N 1.200 119.885 118.700 -0.025 0.000 2.036 259 N HA -0.148 4.591 4.740 -0.001 0.000 0.195 259 N C 2.126 177.594 175.510 -0.070 0.000 1.037 259 N CA 1.989 55.014 53.050 -0.042 0.000 0.855 259 N CB -1.031 37.446 38.487 -0.017 0.000 1.033 259 N HN 0.583 nan 8.380 nan 0.000 0.423 260 T N 0.823 115.353 114.554 -0.040 0.000 2.759 260 T HA -0.062 4.288 4.350 -0.001 0.000 0.269 260 T C 2.129 176.799 174.700 -0.050 0.000 1.042 260 T CA 0.756 62.831 62.100 -0.041 0.000 1.140 260 T CB -0.210 68.655 68.868 -0.004 0.000 0.864 260 T HN 0.124 nan 8.240 nan 0.000 0.455 261 L N 0.072 121.270 121.223 -0.042 0.000 2.072 261 L HA 0.132 4.471 4.340 -0.001 0.000 0.205 261 L C 2.844 179.683 176.870 -0.051 0.000 1.079 261 L CA 1.408 56.222 54.840 -0.044 0.000 0.752 261 L CB -0.410 41.622 42.059 -0.045 0.000 0.906 261 L HN 0.265 nan 8.230 nan 0.000 0.436 262 K N 0.031 120.395 120.400 -0.059 0.000 2.551 262 K HA 0.020 4.339 4.320 -0.001 0.000 0.192 262 K C 1.110 177.649 176.600 -0.101 0.000 1.027 262 K CA 0.578 56.828 56.287 -0.062 0.000 1.059 262 K CB 0.232 32.702 32.500 -0.049 0.000 0.831 262 K HN 0.260 nan 8.250 nan 0.000 0.508 263 A N -0.149 122.587 122.820 -0.141 0.000 2.340 263 A HA 0.221 4.541 4.320 -0.001 0.000 0.213 263 A C 0.613 178.106 177.584 -0.152 0.000 1.299 263 A CA 0.356 52.239 52.037 -0.257 0.000 0.994 263 A CB 0.301 18.982 19.000 -0.532 0.000 1.132 263 A HN 0.299 nan 8.150 nan 0.000 0.519 264 R N 0.096 120.550 120.500 -0.076 0.000 2.965 264 R HA -0.125 4.215 4.340 -0.001 0.000 0.245 264 R C -2.295 174.012 176.300 0.012 0.000 0.861 264 R CA 1.210 57.299 56.100 -0.018 0.000 0.614 264 R CB -3.090 27.209 30.300 -0.001 0.000 1.229 264 R HN 0.495 nan 8.270 nan 0.000 0.503 265 P HA 0.238 nan 4.420 nan 0.000 0.267 265 P C 0.001 177.358 177.300 0.095 0.000 1.200 265 P CA -0.583 62.566 63.100 0.083 0.000 0.772 265 P CB 0.668 32.416 31.700 0.081 0.000 0.855 266 L N 4.376 125.673 121.223 0.122 0.000 2.264 266 L HA 0.325 4.665 4.340 -0.001 0.000 0.287 266 L C -0.982 175.979 176.870 0.152 0.000 1.039 266 L CA -0.288 54.627 54.840 0.124 0.000 0.829 266 L CB 0.731 42.860 42.059 0.116 0.000 1.211 266 L HN 0.009 nan 8.230 nan 0.000 0.427 267 V N 5.688 125.695 119.914 0.155 0.000 2.288 267 V HA 0.269 4.389 4.120 -0.001 0.000 0.266 267 V C 0.299 176.519 176.094 0.211 0.000 1.048 267 V CA -0.423 61.968 62.300 0.152 0.000 0.842 267 V CB 0.775 32.698 31.823 0.166 0.000 1.064 267 V HN 0.831 nan 8.190 nan 0.000 0.472 268 Q N 3.881 123.769 119.800 0.147 0.000 2.307 268 Q HA 0.143 4.483 4.340 -0.001 0.000 0.261 268 Q C -0.745 175.303 176.000 0.079 0.000 1.051 268 Q CA -0.305 55.593 55.803 0.158 0.000 0.911 268 Q CB 0.231 29.071 28.738 0.170 0.000 1.227 268 Q HN 0.763 nan 8.270 nan 0.000 0.418 269 H N 4.425 123.515 119.070 0.033 0.000 2.820 269 H HA 0.268 4.823 4.556 -0.001 0.000 0.278 269 H C -0.708 174.638 175.328 0.029 0.000 1.142 269 H CA -0.300 55.763 56.048 0.025 0.000 1.346 269 H CB 0.237 30.017 29.762 0.030 0.000 1.438 269 H HN 0.553 nan 8.280 nan 0.000 0.473 270 I N 3.449 124.070 120.570 0.085 0.000 2.276 270 I HA 0.222 4.391 4.170 -0.001 0.000 0.290 270 I C 0.491 176.651 176.117 0.071 0.000 1.109 270 I CA 0.120 61.467 61.300 0.077 0.000 1.229 270 I CB 0.361 38.398 38.000 0.062 0.000 1.452 270 I HN 0.498 nan 8.210 nan 0.000 0.497 271 T N 3.561 118.161 114.554 0.076 0.000 2.762 271 T HA 0.395 4.744 4.350 -0.001 0.000 0.301 271 T C -0.517 174.179 174.700 -0.008 0.000 1.299 271 T CA -0.853 61.276 62.100 0.048 0.000 1.005 271 T CB 1.022 69.955 68.868 0.108 0.000 1.377 271 T HN 0.604 nan 8.240 nan 0.000 0.504 272 N N 0.677 119.309 118.700 -0.112 0.000 2.263 272 N HA 0.427 5.166 4.740 -0.001 0.000 0.239 272 N C 1.231 176.673 175.510 -0.114 0.000 1.317 272 N CA -0.095 52.862 53.050 -0.155 0.000 0.909 272 N CB 0.268 38.588 38.487 -0.277 0.000 1.171 272 N HN 0.672 nan 8.380 nan 0.000 0.492 273 K N -0.313 120.035 120.400 -0.085 0.000 2.418 273 K HA 0.062 4.382 4.320 -0.001 0.000 0.195 273 K C 1.723 178.325 176.600 0.003 0.000 1.035 273 K CA 1.270 57.541 56.287 -0.026 0.000 1.003 273 K CB -1.033 31.459 32.500 -0.014 0.000 0.793 273 K HN 0.511 nan 8.250 nan 0.000 0.494 274 V N -2.604 117.301 119.914 -0.015 0.000 2.992 274 V HA 0.060 4.180 4.120 -0.001 0.000 0.250 274 V C 1.889 178.164 176.094 0.301 0.000 1.090 274 V CA 0.975 63.340 62.300 0.107 0.000 1.101 274 V CB -0.972 30.925 31.823 0.123 0.000 0.743 274 V HN 0.725 nan 8.190 nan 0.000 0.468 275 H N -0.167 118.975 119.070 0.121 0.000 2.539 275 H HA 0.164 4.720 4.556 -0.001 0.000 0.267 275 H C 2.106 177.522 175.328 0.147 0.000 0.982 275 H CA 0.543 56.696 56.048 0.175 0.000 1.146 275 H CB 0.565 30.405 29.762 0.130 0.000 1.382 275 H HN 0.486 nan 8.280 nan 0.000 0.577 276 Q N 1.528 121.439 119.800 0.184 0.000 1.969 276 Q HA -0.142 4.198 4.340 -0.001 0.000 0.198 276 Q C 2.111 178.150 176.000 0.066 0.000 0.978 276 Q CA 1.495 57.352 55.803 0.089 0.000 0.830 276 Q CB 0.164 28.930 28.738 0.046 0.000 0.896 276 Q HN 0.252 nan 8.270 nan 0.000 0.431 277 N N -0.613 118.146 118.700 0.099 0.000 2.188 277 N HA -0.154 4.585 4.740 -0.001 0.000 0.184 277 N C 1.420 177.032 175.510 0.170 0.000 1.018 277 N CA 0.918 54.021 53.050 0.089 0.000 0.858 277 N CB -0.251 38.280 38.487 0.074 0.000 0.989 277 N HN 0.231 nan 8.380 nan 0.000 0.426 278 F N 1.134 121.100 119.950 0.026 0.000 2.026 278 F HA 0.026 4.552 4.527 -0.001 0.000 0.296 278 F C 2.303 178.116 175.800 0.021 0.000 1.133 278 F CA 1.810 59.831 58.000 0.034 0.000 1.188 278 F CB -1.176 37.864 39.000 0.066 0.000 0.968 278 F HN 0.103 nan 8.300 nan 0.000 0.476 279 G N -0.404 108.389 108.800 -0.010 0.000 2.469 279 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.220 279 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.220 279 G C 1.839 176.612 174.900 -0.212 0.000 1.136 279 G CA 1.367 46.378 45.100 -0.149 0.000 0.759 279 G HN 0.672 nan 8.290 nan 0.000 0.562 280 A N 0.858 123.541 122.820 -0.227 0.000 1.940 280 A HA -0.108 4.211 4.320 -0.001 0.000 0.219 280 A C 2.180 179.719 177.584 -0.075 0.000 1.176 280 A CA 1.790 53.708 52.037 -0.198 0.000 0.631 280 A CB -0.583 18.336 19.000 -0.134 0.000 0.814 280 A HN 0.534 nan 8.150 nan 0.000 0.446 281 N N -0.316 118.374 118.700 -0.017 0.000 2.142 281 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 281 N C 1.638 177.145 175.510 -0.005 0.000 1.023 281 N CA 1.373 54.440 53.050 0.027 0.000 0.852 281 N CB -0.167 38.401 38.487 0.135 0.000 0.998 281 N HN 0.311 nan 8.380 nan 0.000 0.424 282 V N 0.985 120.847 119.914 -0.086 0.000 2.307 282 V HA -0.199 3.920 4.120 -0.001 0.000 0.245 282 V C 2.212 178.292 176.094 -0.023 0.000 1.045 282 V CA 1.758 64.001 62.300 -0.094 0.000 1.024 282 V CB -0.942 30.756 31.823 -0.209 0.000 0.651 282 V HN 0.362 nan 8.190 nan 0.000 0.449 283 T N 0.607 115.154 114.554 -0.012 0.000 2.759 283 T HA -0.142 4.208 4.350 -0.001 0.000 0.269 283 T C 1.904 176.625 174.700 0.035 0.000 1.042 283 T CA 1.230 63.352 62.100 0.037 0.000 1.140 283 T CB -0.295 68.615 68.868 0.070 0.000 0.864 283 T HN 0.109 nan 8.240 nan 0.000 0.455 284 L N 1.154 122.392 121.223 0.025 0.000 2.056 284 L HA 0.111 4.451 4.340 -0.001 0.000 0.207 284 L C 2.851 179.775 176.870 0.089 0.000 1.078 284 L CA 1.521 56.389 54.840 0.047 0.000 0.749 284 L CB -1.787 40.292 42.059 0.033 0.000 0.901 284 L HN 0.248 nan 8.230 nan 0.000 0.433 285 A N -0.073 122.802 122.820 0.091 0.000 1.859 285 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 285 A C 2.101 179.741 177.584 0.093 0.000 1.209 285 A CA 1.917 54.048 52.037 0.156 0.000 0.639 285 A CB -1.050 18.008 19.000 0.096 0.000 0.835 285 A HN 0.426 nan 8.150 nan 0.000 0.450 286 L N -0.510 120.734 121.223 0.036 0.000 2.700 286 L HA 0.126 4.466 4.340 -0.001 0.000 0.240 286 L C 1.551 178.421 176.870 -0.000 0.000 1.162 286 L CA 0.441 55.283 54.840 0.003 0.000 0.874 286 L CB -0.841 41.223 42.059 0.008 0.000 1.001 286 L HN 0.710 nan 8.230 nan 0.000 0.447 287 G N -0.810 108.002 108.800 0.020 0.000 2.147 287 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.244 287 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.244 287 G C 0.234 175.146 174.900 0.020 0.000 1.005 287 G CA 0.339 45.447 45.100 0.014 0.000 0.713 287 G HN 0.367 nan 8.290 nan 0.000 0.515 288 S N -1.122 114.598 115.700 0.034 0.000 2.766 288 S HA 0.822 5.291 4.470 -0.001 0.000 0.307 288 S C 0.143 174.775 174.600 0.052 0.000 1.121 288 S CA -0.241 57.986 58.200 0.045 0.000 0.980 288 S CB 1.873 65.108 63.200 0.059 0.000 1.159 288 S HN 0.432 nan 8.310 nan 0.000 0.546 289 S N 2.859 118.599 115.700 0.066 0.000 2.640 289 S HA 0.493 4.963 4.470 -0.001 0.000 0.320 289 S C -2.735 171.914 174.600 0.081 0.000 1.097 289 S CA -1.120 57.117 58.200 0.063 0.000 1.092 289 S CB 1.144 64.380 63.200 0.061 0.000 0.988 289 S HN 0.320 nan 8.310 nan 0.000 0.470 290 P HA 0.381 nan 4.420 nan 0.000 0.276 290 P C -0.806 176.528 177.300 0.056 0.000 1.230 290 P CA -0.353 62.769 63.100 0.037 0.000 0.776 290 P CB 0.578 32.217 31.700 -0.103 0.000 0.888 291 I N 3.877 124.512 120.570 0.108 0.000 2.582 291 I HA 0.279 4.448 4.170 -0.001 0.000 0.292 291 I C 0.326 176.510 176.117 0.110 0.000 1.066 291 I CA -0.793 60.563 61.300 0.092 0.000 1.053 291 I CB 2.491 40.554 38.000 0.104 0.000 1.241 291 I HN 0.229 nan 8.210 nan 0.000 0.421 292 M N 4.072 123.718 119.600 0.076 0.000 2.869 292 M HA 0.133 4.612 4.480 -0.001 0.000 0.353 292 M C 0.471 176.816 176.300 0.075 0.000 1.224 292 M CA -0.159 55.191 55.300 0.082 0.000 0.917 292 M CB -0.295 32.333 32.600 0.047 0.000 1.322 292 M HN 0.477 nan 8.290 nan 0.000 0.516 293 S N 2.225 117.974 115.700 0.082 0.000 2.443 293 S HA 0.117 4.587 4.470 -0.001 0.000 0.284 293 S C 0.538 175.182 174.600 0.073 0.000 1.206 293 S CA -0.035 58.208 58.200 0.071 0.000 1.074 293 S CB 0.180 63.424 63.200 0.074 0.000 0.963 293 S HN 0.503 nan 8.310 nan 0.000 0.501 294 E N 4.349 124.584 120.200 0.060 0.000 2.405 294 E HA 0.199 4.548 4.350 -0.001 0.000 0.214 294 E C -0.785 175.844 176.600 0.048 0.000 1.101 294 E CA -0.228 56.206 56.400 0.057 0.000 1.254 294 E CB -0.037 29.693 29.700 0.050 0.000 1.240 294 E HN 0.569 nan 8.360 nan 0.000 0.439 295 I N 1.633 122.233 120.570 0.049 0.000 2.331 295 I HA -0.009 4.160 4.170 -0.001 0.000 0.292 295 I C 1.535 177.676 176.117 0.040 0.000 0.998 295 I CA -0.070 61.253 61.300 0.040 0.000 1.267 295 I CB 1.466 39.488 38.000 0.037 0.000 1.386 295 I HN 0.020 nan 8.210 nan 0.000 0.476 296 Q N 2.732 122.550 119.800 0.030 0.000 2.016 296 Q HA -0.142 4.197 4.340 -0.001 0.000 0.200 296 Q C 1.969 177.980 176.000 0.019 0.000 0.978 296 Q CA 2.061 57.878 55.803 0.024 0.000 0.833 296 Q CB 0.069 28.815 28.738 0.013 0.000 0.895 296 Q HN 0.880 nan 8.270 nan 0.000 0.427 297 S N 0.888 116.596 115.700 0.014 0.000 2.400 297 S HA -0.169 4.300 4.470 -0.001 0.000 0.232 297 S C 1.622 176.228 174.600 0.010 0.000 1.025 297 S CA 1.112 59.317 58.200 0.008 0.000 0.993 297 S CB -0.201 63.002 63.200 0.006 0.000 0.808 297 S HN 0.336 nan 8.310 nan 0.000 0.478 298 E N 0.465 120.677 120.200 0.021 0.000 2.230 298 E HA 0.022 4.371 4.350 -0.001 0.000 0.192 298 E C 1.991 178.609 176.600 0.029 0.000 0.987 298 E CA 0.308 56.723 56.400 0.024 0.000 0.841 298 E CB -0.113 29.608 29.700 0.035 0.000 0.783 298 E HN 0.309 nan 8.360 nan 0.000 0.481 299 V N 2.030 121.971 119.914 0.044 0.000 2.277 299 V HA -0.343 3.777 4.120 -0.001 0.000 0.253 299 V C 1.812 177.914 176.094 0.013 0.000 1.067 299 V CA 2.083 64.426 62.300 0.071 0.000 1.047 299 V CB -0.327 31.546 31.823 0.083 0.000 0.649 299 V HN 0.340 nan 8.190 nan 0.000 0.447 300 N N -0.349 118.340 118.700 -0.018 0.000 2.354 300 N HA -0.087 4.653 4.740 -0.001 0.000 0.179 300 N C 1.432 176.894 175.510 -0.081 0.000 1.021 300 N CA 1.426 54.438 53.050 -0.063 0.000 0.887 300 N CB -0.245 38.215 38.487 -0.046 0.000 0.974 300 N HN 0.614 nan 8.380 nan 0.000 0.437 301 D N 0.250 120.622 120.400 -0.047 0.000 2.194 301 D HA -0.045 4.594 4.640 -0.001 0.000 0.204 301 D C 1.915 178.186 176.300 -0.048 0.000 0.964 301 D CA 0.198 54.173 54.000 -0.041 0.000 0.846 301 D CB 0.033 40.822 40.800 -0.017 0.000 0.962 301 D HN 0.090 nan 8.370 nan 0.000 0.490 302 L N 1.431 122.632 121.223 -0.036 0.000 2.046 302 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 302 L C 2.421 179.216 176.870 -0.125 0.000 1.077 302 L CA 1.203 56.032 54.840 -0.018 0.000 0.747 302 L CB -1.122 40.979 42.059 0.070 0.000 0.896 302 L HN -0.053 nan 8.230 nan 0.000 0.432 303 A N -1.152 121.470 122.820 -0.329 0.000 2.067 303 A HA -0.030 4.289 4.320 -0.001 0.000 0.219 303 A C 2.470 179.884 177.584 -0.285 0.000 1.158 303 A CA 1.341 53.015 52.037 -0.605 0.000 0.661 303 A CB -0.671 17.792 19.000 -0.895 0.000 0.801 303 A HN 0.390 nan 8.150 nan 0.000 0.452 304 A N 0.596 123.313 122.820 -0.171 0.000 1.865 304 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 304 A C 1.110 178.653 177.584 -0.069 0.000 1.191 304 A CA 0.862 52.838 52.037 -0.102 0.000 0.623 304 A CB -0.847 18.112 19.000 -0.068 0.000 0.826 304 A HN 0.526 nan 8.150 nan 0.000 0.444 305 I N 1.354 121.898 120.570 -0.044 0.000 3.076 305 I HA -0.061 4.109 4.170 -0.001 0.000 0.321 305 I C -2.180 173.942 176.117 0.008 0.000 1.216 305 I CA -0.924 60.373 61.300 -0.004 0.000 1.460 305 I CB -0.152 37.860 38.000 0.020 0.000 1.313 305 I HN 0.136 nan 8.210 nan 0.000 0.546 306 P HA 0.012 nan 4.420 nan 0.000 0.266 306 P C -0.269 177.107 177.300 0.126 0.000 1.195 306 P CA 0.288 63.410 63.100 0.038 0.000 0.768 306 P CB 0.210 31.965 31.700 0.092 0.000 0.838 307 H N -0.984 118.104 119.070 0.029 0.000 2.822 307 H HA -0.192 4.364 4.556 -0.001 0.000 0.295 307 H C 0.359 175.731 175.328 0.073 0.000 1.151 307 H CA 0.591 56.666 56.048 0.046 0.000 1.151 307 H CB -1.940 27.846 29.762 0.040 0.000 1.343 307 H HN 0.537 nan 8.280 nan 0.000 0.382 308 A N 0.632 123.538 122.820 0.144 0.000 2.477 308 A HA 0.478 4.797 4.320 -0.001 0.000 0.246 308 A C 0.797 178.556 177.584 0.293 0.000 1.078 308 A CA 0.773 52.926 52.037 0.192 0.000 0.770 308 A CB 0.514 19.587 19.000 0.121 0.000 1.011 308 A HN 0.310 nan 8.150 nan 0.000 0.494 309 T N 1.620 116.348 114.554 0.290 0.000 2.908 309 T HA 0.562 4.911 4.350 -0.001 0.000 0.290 309 T C -1.068 173.649 174.700 0.028 0.000 1.034 309 T CA -0.302 61.917 62.100 0.198 0.000 1.010 309 T CB 1.223 70.151 68.868 0.100 0.000 1.068 309 T HN 0.588 nan 8.240 nan 0.000 0.481 310 L N 2.783 123.848 121.223 -0.263 0.000 2.362 310 L HA 0.728 5.067 4.340 -0.001 0.000 0.275 310 L C -1.547 175.180 176.870 -0.240 0.000 0.998 310 L CA -0.745 53.798 54.840 -0.496 0.000 0.820 310 L CB 1.407 42.797 42.059 -1.115 0.000 1.270 310 L HN 0.596 nan 8.230 nan 0.000 0.415 311 L N 5.415 126.505 121.223 -0.222 0.000 2.343 311 L HA 0.491 4.830 4.340 -0.001 0.000 0.278 311 L C -1.400 175.414 176.870 -0.093 0.000 0.996 311 L CA -0.552 54.181 54.840 -0.178 0.000 0.831 311 L CB 1.421 43.272 42.059 -0.346 0.000 1.232 311 L HN 0.508 nan 8.230 nan 0.000 0.413 312 L N 3.898 125.124 121.223 0.005 0.000 2.360 312 L HA 0.455 4.794 4.340 -0.001 0.000 0.271 312 L C -0.400 176.512 176.870 0.069 0.000 1.057 312 L CA -0.197 54.699 54.840 0.092 0.000 0.803 312 L CB 1.687 43.888 42.059 0.237 0.000 1.207 312 L HN 0.745 nan 8.230 nan 0.000 0.445 313 N N 0.372 119.118 118.700 0.076 0.000 2.827 313 N HA 0.073 4.813 4.740 -0.001 0.000 0.240 313 N C -0.824 174.710 175.510 0.041 0.000 1.352 313 N CA -0.214 52.849 53.050 0.022 0.000 0.760 313 N CB 0.619 39.132 38.487 0.043 0.000 1.426 313 N HN 0.579 nan 8.380 nan 0.000 0.561 314 T N 1.733 116.325 114.554 0.064 0.000 2.626 314 T HA 0.005 4.354 4.350 -0.001 0.000 0.232 314 T C 1.086 175.804 174.700 0.029 0.000 1.014 314 T CA 2.231 64.372 62.100 0.067 0.000 1.159 314 T CB -0.121 68.779 68.868 0.053 0.000 1.026 314 T HN 0.914 nan 8.240 nan 0.000 0.449 315 G N 2.586 111.403 108.800 0.029 0.000 2.385 315 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.294 315 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.294 315 G C 0.452 175.350 174.900 -0.004 0.000 1.070 315 G CA 0.469 45.574 45.100 0.008 0.000 1.172 315 G HN 1.517 nan 8.290 nan 0.000 0.516 316 S N -1.477 114.230 115.700 0.012 0.000 2.749 316 S HA 0.351 4.820 4.470 -0.001 0.000 0.246 316 S C 1.416 176.025 174.600 0.015 0.000 1.023 316 S CA 0.862 59.066 58.200 0.006 0.000 1.012 316 S CB 0.735 63.947 63.200 0.021 0.000 0.942 316 S HN 1.723 nan 8.310 nan 0.000 0.531 317 V N 0.402 120.325 119.914 0.016 0.000 3.473 317 V HA -0.282 3.838 4.120 -0.001 0.000 0.186 317 V C 1.046 177.155 176.094 0.026 0.000 0.493 317 V CA 1.047 63.358 62.300 0.018 0.000 1.050 317 V CB -3.148 28.682 31.823 0.012 0.000 1.180 317 V HN 0.983 nan 8.190 nan 0.000 1.120 318 A N 0.113 122.955 122.820 0.036 0.000 2.331 318 A HA 0.699 5.019 4.320 -0.001 0.000 0.283 318 A C -1.526 176.090 177.584 0.053 0.000 1.142 318 A CA -1.371 50.692 52.037 0.045 0.000 0.812 318 A CB 0.297 19.329 19.000 0.054 0.000 1.074 318 A HN 0.366 nan 8.150 nan 0.000 0.497 319 P HA 0.170 nan 4.420 nan 0.000 0.268 319 P C -2.079 175.271 177.300 0.083 0.000 1.204 319 P CA -1.059 62.075 63.100 0.056 0.000 0.768 319 P CB 0.144 31.869 31.700 0.043 0.000 0.842 320 P HA -0.174 nan 4.420 nan 0.000 0.218 320 P C 1.025 178.424 177.300 0.165 0.000 1.146 320 P CA 1.386 64.599 63.100 0.187 0.000 0.813 320 P CB -0.115 31.706 31.700 0.202 0.000 0.778 321 E N -1.235 119.015 120.200 0.083 0.000 2.265 321 E HA -0.192 4.158 4.350 -0.001 0.000 0.196 321 E C 1.793 178.387 176.600 -0.009 0.000 0.996 321 E CA 1.048 57.457 56.400 0.015 0.000 0.832 321 E CB -0.424 29.283 29.700 0.012 0.000 0.756 321 E HN 0.315 nan 8.360 nan 0.000 0.491 322 M N 0.135 119.754 119.600 0.031 0.000 2.299 322 M HA -0.008 4.472 4.480 -0.001 0.000 0.264 322 M C 1.830 178.160 176.300 0.050 0.000 1.095 322 M CA 1.286 56.606 55.300 0.033 0.000 1.165 322 M CB -0.049 32.579 32.600 0.047 0.000 1.349 322 M HN -0.034 nan 8.290 nan 0.000 0.446 323 L N 0.383 121.669 121.223 0.105 0.000 2.013 323 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 323 L C 2.673 179.626 176.870 0.139 0.000 1.073 323 L CA 2.033 56.973 54.840 0.166 0.000 0.753 323 L CB -1.288 40.920 42.059 0.247 0.000 0.890 323 L HN 0.463 nan 8.230 nan 0.000 0.432 324 K N 0.583 120.956 120.400 -0.045 0.000 2.001 324 K HA -0.251 4.068 4.320 -0.001 0.000 0.214 324 K C 2.190 178.629 176.600 -0.269 0.000 1.050 324 K CA 1.787 57.696 56.287 -0.630 0.000 0.934 324 K CB -0.227 31.573 32.500 -1.166 0.000 0.718 324 K HN 0.265 nan 8.250 nan 0.000 0.443 325 A N 0.753 123.478 122.820 -0.158 0.000 1.948 325 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 325 A C 2.264 179.845 177.584 -0.006 0.000 1.177 325 A CA 2.262 54.251 52.037 -0.079 0.000 0.636 325 A CB -0.822 18.153 19.000 -0.041 0.000 0.815 325 A HN 0.574 nan 8.150 nan 0.000 0.449 326 A N -0.135 122.710 122.820 0.041 0.000 1.835 326 A HA 0.053 4.372 4.320 -0.001 0.000 0.213 326 A C 2.073 179.761 177.584 0.174 0.000 1.210 326 A CA 1.189 53.304 52.037 0.129 0.000 0.605 326 A CB -0.718 18.352 19.000 0.118 0.000 0.860 326 A HN 0.436 nan 8.150 nan 0.000 0.447 327 I N -0.633 120.005 120.570 0.114 0.000 2.113 327 I HA -0.389 3.780 4.170 -0.001 0.000 0.242 327 I C 2.712 178.877 176.117 0.079 0.000 1.057 327 I CA 2.228 63.586 61.300 0.097 0.000 1.314 327 I CB -0.378 37.683 38.000 0.102 0.000 1.022 327 I HN 0.370 nan 8.210 nan 0.000 0.408 328 R N 0.960 121.470 120.500 0.016 0.000 2.112 328 R HA -0.250 4.089 4.340 -0.001 0.000 0.242 328 R C 2.329 178.654 176.300 0.042 0.000 1.137 328 R CA 2.096 58.191 56.100 -0.009 0.000 0.944 328 R CB -0.572 29.687 30.300 -0.068 0.000 0.857 328 R HN 0.448 nan 8.270 nan 0.000 0.435 329 A N -0.692 122.174 122.820 0.076 0.000 1.917 329 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 329 A C 2.058 179.658 177.584 0.026 0.000 1.182 329 A CA 1.716 53.778 52.037 0.041 0.000 0.633 329 A CB -0.892 18.135 19.000 0.044 0.000 0.819 329 A HN 0.536 nan 8.150 nan 0.000 0.448 330 Y N -0.235 120.072 120.300 0.011 0.000 2.337 330 Y HA -0.073 4.477 4.550 -0.001 0.000 0.293 330 Y C 2.275 178.192 175.900 0.028 0.000 1.123 330 Y CA 1.391 59.506 58.100 0.025 0.000 1.201 330 Y CB -0.541 37.946 38.460 0.045 0.000 1.011 330 Y HN 0.424 nan 8.280 nan 0.000 0.545 331 N N -0.282 118.516 118.700 0.163 0.000 2.331 331 N HA -0.150 4.589 4.740 -0.001 0.000 0.180 331 N C 0.908 176.469 175.510 0.085 0.000 1.019 331 N CA 0.899 54.017 53.050 0.114 0.000 0.881 331 N CB -0.012 38.518 38.487 0.072 0.000 0.972 331 N HN 0.241 nan 8.380 nan 0.000 0.435 332 D N -0.060 120.369 120.400 0.047 0.000 2.224 332 D HA -0.034 4.606 4.640 -0.001 0.000 0.205 332 D C 1.256 177.561 176.300 0.007 0.000 0.965 332 D CA 0.707 54.720 54.000 0.021 0.000 0.852 332 D CB 0.223 41.019 40.800 -0.007 0.000 0.947 332 D HN 0.078 nan 8.370 nan 0.000 0.494 333 V N 0.633 120.543 119.914 -0.005 0.000 3.542 333 V HA 0.052 4.171 4.120 -0.001 0.000 0.296 333 V C 0.573 176.666 176.094 -0.002 0.000 1.364 333 V CA -0.133 62.149 62.300 -0.030 0.000 1.118 333 V CB -0.291 31.476 31.823 -0.094 0.000 0.972 333 V HN 0.116 nan 8.190 nan 0.000 0.430 334 K N 0.267 120.691 120.400 0.039 0.000 3.160 334 K HA -0.186 4.133 4.320 -0.001 0.000 0.280 334 K C 0.257 176.889 176.600 0.054 0.000 1.154 334 K CA 0.614 56.928 56.287 0.043 0.000 0.822 334 K CB -1.026 31.471 32.500 -0.004 0.000 1.239 334 K HN 0.425 nan 8.250 nan 0.000 0.489 335 R N 0.469 121.034 120.500 0.109 0.000 2.573 335 R HA 0.382 4.722 4.340 -0.001 0.000 0.272 335 R C -2.110 174.328 176.300 0.229 0.000 1.009 335 R CA -1.776 54.419 56.100 0.159 0.000 1.059 335 R CB 0.817 31.234 30.300 0.196 0.000 1.112 335 R HN -0.041 nan 8.270 nan 0.000 0.517 336 P HA 0.328 nan 4.420 nan 0.000 0.277 336 P C -0.529 176.864 177.300 0.155 0.000 1.240 336 P CA -0.170 63.045 63.100 0.190 0.000 0.798 336 P CB 0.968 32.757 31.700 0.149 0.000 0.979 337 I N 1.432 122.105 120.570 0.172 0.000 2.478 337 I HA 0.222 4.391 4.170 -0.001 0.000 0.287 337 I C -0.243 175.991 176.117 0.195 0.000 1.042 337 I CA -1.190 60.196 61.300 0.143 0.000 1.067 337 I CB 2.271 40.418 38.000 0.245 0.000 1.233 337 I HN -0.013 nan 8.210 nan 0.000 0.431 338 V N 6.054 126.021 119.914 0.089 0.000 2.465 338 V HA 0.323 4.442 4.120 -0.001 0.000 0.279 338 V C -0.486 175.645 176.094 0.061 0.000 1.045 338 V CA -0.450 61.887 62.300 0.062 0.000 0.938 338 V CB 1.394 33.206 31.823 -0.018 0.000 0.986 338 V HN 0.436 nan 8.190 nan 0.000 0.467 339 F N 4.139 123.960 119.950 -0.216 0.000 2.493 339 F HA 0.691 5.217 4.527 -0.001 0.000 0.329 339 F C -0.718 174.913 175.800 -0.281 0.000 1.126 339 F CA -1.487 56.275 58.000 -0.397 0.000 0.937 339 F CB 1.657 40.103 39.000 -0.923 0.000 1.146 339 F HN 0.583 nan 8.300 nan 0.000 0.442 340 D N 7.745 127.754 120.400 -0.651 0.000 2.505 340 D HA 0.448 5.088 4.640 -0.001 0.000 0.250 340 D C -2.770 173.076 176.300 -0.756 0.000 1.164 340 D CA -2.376 51.248 54.000 -0.628 0.000 0.870 340 D CB 2.504 43.133 40.800 -0.285 0.000 1.160 340 D HN 0.197 nan 8.370 nan 0.000 0.549 341 P HA 0.077 nan 4.420 nan 0.000 0.227 341 P C 1.489 178.676 177.300 -0.187 0.000 1.801 341 P CA -0.358 62.416 63.100 -0.543 0.000 0.971 341 P CB 0.173 31.556 31.700 -0.529 0.000 1.653 342 V N -1.128 118.700 119.914 -0.142 0.000 2.255 342 V HA -0.375 3.745 4.120 -0.001 0.000 0.258 342 V C 2.065 178.169 176.094 0.016 0.000 1.069 342 V CA 2.589 64.871 62.300 -0.030 0.000 1.082 342 V CB -2.410 29.446 31.823 0.055 0.000 0.707 342 V HN 0.316 nan 8.190 nan 0.000 0.466 343 G N -1.598 107.221 108.800 0.031 0.000 2.942 343 G HA2 0.049 4.008 3.960 -0.001 0.000 0.199 343 G HA3 0.049 4.008 3.960 -0.001 0.000 0.199 343 G C 0.613 175.573 174.900 0.100 0.000 1.440 343 G CA 2.195 47.322 45.100 0.044 0.000 0.815 343 G HN 1.261 nan 8.290 nan 0.000 0.675 344 Y N -1.535 118.740 120.300 -0.042 0.000 2.928 344 Y HA -0.321 4.229 4.550 -0.000 0.000 0.464 344 Y C 1.752 177.642 175.900 -0.017 0.000 1.224 344 Y CA 1.259 59.337 58.100 -0.037 0.000 2.401 344 Y CB -1.086 37.338 38.460 -0.061 0.000 1.311 344 Y HN 0.711 nan 8.280 nan 0.000 0.635 345 S N 0.923 116.600 115.700 -0.039 0.000 3.009 345 S HA 0.406 4.875 4.470 -0.001 0.000 0.243 345 S C 0.911 175.508 174.600 -0.006 0.000 1.012 345 S CA 0.462 58.621 58.200 -0.068 0.000 1.113 345 S CB -0.015 63.265 63.200 0.133 0.000 0.827 345 S HN 0.998 nan 8.310 nan 0.000 0.495 346 A N 1.550 124.365 122.820 -0.009 0.000 1.935 346 A HA 0.291 4.611 4.320 -0.001 0.000 0.214 346 A C 1.587 179.162 177.584 -0.015 0.000 1.178 346 A CA 1.053 53.093 52.037 0.004 0.000 0.640 346 A CB -0.401 18.608 19.000 0.016 0.000 0.825 346 A HN 0.718 nan 8.150 nan 0.000 0.447 347 T N -5.639 108.891 114.554 -0.039 0.000 2.604 347 T HA 0.502 4.851 4.350 -0.001 0.000 0.267 347 T C 0.461 175.124 174.700 -0.062 0.000 0.923 347 T CA -0.260 61.817 62.100 -0.039 0.000 1.077 347 T CB 1.027 69.875 68.868 -0.033 0.000 1.392 347 T HN -0.076 nan 8.240 nan 0.000 0.531 348 E N 0.622 120.789 120.200 -0.054 0.000 2.057 348 E HA 0.078 4.427 4.350 -0.001 0.000 0.191 348 E C 2.343 178.898 176.600 -0.074 0.000 0.959 348 E CA 1.361 57.723 56.400 -0.063 0.000 0.828 348 E CB -0.969 28.705 29.700 -0.043 0.000 0.800 348 E HN 0.789 nan 8.360 nan 0.000 0.460 349 T N 1.529 116.051 114.554 -0.053 0.000 2.918 349 T HA -0.172 4.178 4.350 -0.001 0.000 0.271 349 T C 1.905 176.568 174.700 -0.062 0.000 1.104 349 T CA 1.383 63.455 62.100 -0.047 0.000 1.114 349 T CB -0.001 68.849 68.868 -0.029 0.000 0.855 349 T HN 0.011 nan 8.240 nan 0.000 0.518 350 R N -0.194 120.257 120.500 -0.083 0.000 2.052 350 R HA 0.186 4.525 4.340 -0.001 0.000 0.224 350 R C 2.264 178.447 176.300 -0.195 0.000 1.149 350 R CA 0.420 56.460 56.100 -0.101 0.000 0.962 350 R CB -0.565 29.686 30.300 -0.083 0.000 0.856 350 R HN 0.201 nan 8.270 nan 0.000 0.433 351 L N 1.008 122.055 121.223 -0.292 0.000 1.978 351 L HA -0.250 4.089 4.340 -0.001 0.000 0.218 351 L C 1.914 178.620 176.870 -0.274 0.000 1.075 351 L CA 1.839 56.399 54.840 -0.466 0.000 0.767 351 L CB -0.918 40.920 42.059 -0.368 0.000 0.890 351 L HN 0.265 nan 8.230 nan 0.000 0.434 352 L N -0.898 120.228 121.223 -0.163 0.000 1.991 352 L HA -0.301 4.039 4.340 -0.001 0.000 0.221 352 L C 2.674 179.485 176.870 -0.098 0.000 1.079 352 L CA 2.612 57.389 54.840 -0.104 0.000 0.778 352 L CB -1.130 40.887 42.059 -0.071 0.000 0.893 352 L HN 0.506 nan 8.230 nan 0.000 0.437 353 L N 0.028 121.200 121.223 -0.086 0.000 2.046 353 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 353 L C 2.293 179.129 176.870 -0.058 0.000 1.077 353 L CA 1.673 56.476 54.840 -0.062 0.000 0.747 353 L CB -0.612 41.431 42.059 -0.027 0.000 0.896 353 L HN 0.322 nan 8.230 nan 0.000 0.432 354 N N -0.145 118.543 118.700 -0.020 0.000 2.142 354 N HA -0.182 4.557 4.740 -0.001 0.000 0.186 354 N C 1.514 177.051 175.510 0.045 0.000 1.023 354 N CA 1.742 54.859 53.050 0.112 0.000 0.852 354 N CB -0.390 38.266 38.487 0.281 0.000 0.998 354 N HN 0.584 nan 8.380 nan 0.000 0.424 355 N N 0.894 119.594 118.700 0.000 0.000 2.205 355 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 355 N C 1.764 177.199 175.510 -0.125 0.000 1.015 355 N CA 0.479 53.520 53.050 -0.014 0.000 0.862 355 N CB -0.013 38.467 38.487 -0.011 0.000 0.986 355 N HN 0.076 nan 8.380 nan 0.000 0.429 356 L N 0.714 121.815 121.223 -0.205 0.000 2.072 356 L HA -0.019 4.320 4.340 -0.001 0.000 0.205 356 L C 1.841 178.232 176.870 -0.798 0.000 1.079 356 L CA 1.056 55.666 54.840 -0.383 0.000 0.752 356 L CB -0.290 41.585 42.059 -0.306 0.000 0.906 356 L HN 0.071 nan 8.230 nan 0.000 0.436 357 L N -0.884 119.960 121.223 -0.633 0.000 2.042 357 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 357 L C 2.279 178.925 176.870 -0.374 0.000 1.076 357 L CA 1.649 56.118 54.840 -0.619 0.000 0.749 357 L CB -0.647 41.219 42.059 -0.322 0.000 0.893 357 L HN 0.214 nan 8.230 nan 0.000 0.432 358 L N -0.916 120.143 121.223 -0.272 0.000 2.456 358 L HA -0.140 4.199 4.340 -0.001 0.000 0.224 358 L C 2.033 178.899 176.870 -0.007 0.000 1.148 358 L CA 1.328 56.114 54.840 -0.091 0.000 0.825 358 L CB -0.639 41.314 42.059 -0.176 0.000 0.937 358 L HN 0.501 nan 8.230 nan 0.000 0.450 359 T N -5.407 109.098 114.554 -0.083 0.000 3.086 359 T HA 0.038 4.387 4.350 -0.001 0.000 0.250 359 T C 1.435 176.315 174.700 0.301 0.000 1.074 359 T CA 0.027 62.168 62.100 0.068 0.000 0.988 359 T CB -0.239 68.639 68.868 0.016 0.000 0.988 359 T HN 0.215 nan 8.240 nan 0.000 0.530 360 F N 1.558 121.525 119.950 0.027 0.000 2.512 360 F HA 0.407 4.933 4.527 -0.001 0.000 0.296 360 F C 1.764 177.490 175.800 -0.123 0.000 1.110 360 F CA -0.068 57.925 58.000 -0.013 0.000 1.446 360 F CB 0.421 39.416 39.000 -0.010 0.000 1.092 360 F HN 0.515 nan 8.300 nan 0.000 0.554 361 G N -0.836 107.906 108.800 -0.096 0.000 2.428 361 G HA2 0.215 4.175 3.960 -0.001 0.000 0.305 361 G HA3 0.215 4.175 3.960 -0.001 0.000 0.305 361 G C -1.932 172.599 174.900 -0.616 0.000 1.260 361 G CA -0.502 44.411 45.100 -0.311 0.000 0.853 361 G HN -0.246 nan 8.290 nan 0.000 0.480 362 Q N 0.250 119.677 119.800 -0.621 0.000 2.348 362 Q HA 0.566 4.905 4.340 -0.001 0.000 0.265 362 Q C -1.380 174.161 176.000 -0.765 0.000 0.998 362 Q CA -0.469 54.931 55.803 -0.671 0.000 0.831 362 Q CB 1.212 29.634 28.738 -0.527 0.000 1.251 362 Q HN 0.341 nan 8.270 nan 0.000 0.456 363 F N 0.339 120.134 119.950 -0.260 0.000 2.385 363 F HA 0.244 4.770 4.527 -0.001 0.000 0.336 363 F C 1.643 177.429 175.800 -0.023 0.000 1.100 363 F CA -0.337 57.597 58.000 -0.111 0.000 1.116 363 F CB 1.358 40.322 39.000 -0.060 0.000 1.166 363 F HN 0.430 nan 8.300 nan 0.000 0.511 364 S N 0.217 116.117 115.700 0.333 0.000 2.425 364 S HA -0.008 4.462 4.470 -0.001 0.000 0.225 364 S C 0.087 174.855 174.600 0.280 0.000 1.024 364 S CA 0.167 58.597 58.200 0.385 0.000 0.951 364 S CB 0.138 63.544 63.200 0.343 0.000 0.796 364 S HN 0.678 nan 8.310 nan 0.000 0.498 365 C N 1.048 120.488 119.300 0.234 0.000 2.880 365 C HA 0.666 5.125 4.460 -0.001 0.000 0.320 365 C C -1.708 173.350 174.990 0.114 0.000 1.176 365 C CA -1.060 58.055 59.018 0.161 0.000 1.390 365 C CB 0.453 28.257 27.740 0.106 0.000 1.846 365 C HN 0.431 nan 8.230 nan 0.000 0.478 366 I N 5.757 126.372 120.570 0.074 0.000 2.466 366 I HA 0.338 4.508 4.170 -0.001 0.000 0.279 366 I C -0.163 175.917 176.117 -0.062 0.000 1.033 366 I CA -0.261 61.026 61.300 -0.022 0.000 1.123 366 I CB 0.994 38.993 38.000 -0.001 0.000 1.237 366 I HN 0.636 nan 8.210 nan 0.000 0.460 367 K N 5.767 126.094 120.400 -0.122 0.000 2.118 367 K HA 0.835 5.154 4.320 -0.001 0.000 0.267 367 K C -0.357 176.141 176.600 -0.170 0.000 0.991 367 K CA -0.223 55.994 56.287 -0.117 0.000 0.916 367 K CB 1.931 34.355 32.500 -0.127 0.000 1.041 367 K HN 0.718 nan 8.250 nan 0.000 0.455 368 G N 1.661 110.389 108.800 -0.119 0.000 2.559 368 G HA2 0.222 4.181 3.960 -0.001 0.000 0.291 368 G HA3 0.222 4.181 3.960 -0.001 0.000 0.291 368 G C -1.931 172.933 174.900 -0.060 0.000 1.424 368 G CA -1.087 43.937 45.100 -0.126 0.000 0.786 368 G HN 0.802 nan 8.290 nan 0.000 0.485 369 N N -1.100 117.572 118.700 -0.046 0.000 2.404 369 N HA 0.517 5.257 4.740 -0.001 0.000 0.297 369 N C 1.368 176.887 175.510 0.015 0.000 1.163 369 N CA 0.276 53.325 53.050 -0.001 0.000 0.864 369 N CB 1.826 40.313 38.487 0.001 0.000 1.247 369 N HN 1.057 nan 8.380 nan 0.000 0.510 370 S N 1.089 116.820 115.700 0.052 0.000 2.498 370 S HA -0.414 4.055 4.470 -0.001 0.000 0.391 370 S C 1.644 176.263 174.600 0.031 0.000 1.216 370 S CA 2.359 60.593 58.200 0.056 0.000 1.870 370 S CB -1.843 61.395 63.200 0.064 0.000 1.585 370 S HN 0.623 nan 8.310 nan 0.000 0.491 371 S N 2.211 117.927 115.700 0.027 0.000 2.348 371 S HA -0.113 4.356 4.470 -0.001 0.000 0.221 371 S C 1.973 176.584 174.600 0.019 0.000 1.033 371 S CA 1.583 59.802 58.200 0.030 0.000 1.010 371 S CB -0.644 62.578 63.200 0.036 0.000 0.891 371 S HN 0.755 nan 8.310 nan 0.000 0.442 372 E N 0.944 121.137 120.200 -0.012 0.000 2.023 372 E HA -0.119 4.231 4.350 -0.001 0.000 0.196 372 E C 2.060 178.566 176.600 -0.156 0.000 1.003 372 E CA 1.161 57.504 56.400 -0.095 0.000 0.809 372 E CB -0.242 29.379 29.700 -0.132 0.000 0.755 372 E HN 0.259 nan 8.360 nan 0.000 0.449 373 I N 0.706 121.223 120.570 -0.089 0.000 2.208 373 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 373 I C 2.398 178.490 176.117 -0.042 0.000 1.097 373 I CA 1.301 62.563 61.300 -0.064 0.000 1.363 373 I CB -0.822 37.177 38.000 -0.001 0.000 1.051 373 I HN 0.193 nan 8.210 nan 0.000 0.413 374 L N 0.301 121.515 121.223 -0.015 0.000 2.083 374 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 374 L C 2.494 179.375 176.870 0.018 0.000 1.083 374 L CA 1.503 56.346 54.840 0.005 0.000 0.752 374 L CB -0.643 41.427 42.059 0.018 0.000 0.899 374 L HN 0.274 nan 8.230 nan 0.000 0.433 375 G N -0.619 108.191 108.800 0.017 0.000 2.402 375 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 375 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 375 G C 1.573 176.518 174.900 0.075 0.000 1.162 375 G CA 0.470 45.631 45.100 0.103 0.000 0.777 375 G HN 0.266 nan 8.290 nan 0.000 0.539 376 L N 0.622 121.747 121.223 -0.163 0.000 2.083 376 L HA -0.002 4.337 4.340 -0.001 0.000 0.209 376 L C 3.181 180.100 176.870 0.082 0.000 1.083 376 L CA 0.945 55.717 54.840 -0.115 0.000 0.752 376 L CB -0.149 41.776 42.059 -0.224 0.000 0.899 376 L HN 0.313 nan 8.230 nan 0.000 0.433 377 A N -1.038 121.808 122.820 0.044 0.000 2.206 377 A HA -0.082 4.238 4.320 -0.001 0.000 0.211 377 A C 0.969 178.580 177.584 0.045 0.000 1.158 377 A CA 0.469 52.533 52.037 0.045 0.000 0.761 377 A CB -0.212 18.803 19.000 0.026 0.000 0.801 377 A HN 0.547 nan 8.150 nan 0.000 0.473 378 E N -3.968 116.271 120.200 0.065 0.000 2.868 378 E HA -0.229 4.120 4.350 -0.001 0.000 0.278 378 E C 0.109 176.734 176.600 0.043 0.000 1.009 378 E CA 0.401 56.840 56.400 0.066 0.000 0.856 378 E CB -2.898 26.838 29.700 0.060 0.000 1.428 378 E HN 0.818 nan 8.360 nan 0.000 0.423 395 N N -1.399 117.291 118.700 -0.016 0.000 2.345 395 N HA 0.142 4.882 4.740 -0.001 0.000 0.323 395 N C 1.002 176.399 175.510 -0.187 0.000 0.797 395 N CA 1.432 54.459 53.050 -0.038 0.000 0.580 395 N CB -0.421 38.073 38.487 0.012 0.000 2.326 395 N HN 0.490 nan 8.380 nan 0.000 1.043 396 E N 0.758 120.871 120.200 -0.145 0.000 2.208 396 E HA 0.064 4.413 4.350 -0.001 0.000 0.193 396 E C 1.710 178.198 176.600 -0.186 0.000 0.988 396 E CA 1.298 57.593 56.400 -0.175 0.000 0.828 396 E CB -0.520 29.116 29.700 -0.107 0.000 0.763 396 E HN 0.293 nan 8.360 nan 0.000 0.478 397 L N -0.144 120.997 121.223 -0.137 0.000 2.072 397 L HA 0.065 4.405 4.340 -0.001 0.000 0.205 397 L C 2.425 179.211 176.870 -0.139 0.000 1.079 397 L CA 1.409 56.184 54.840 -0.107 0.000 0.752 397 L CB -0.240 41.785 42.059 -0.057 0.000 0.906 397 L HN 0.376 nan 8.230 nan 0.000 0.436 398 L N -0.967 120.146 121.223 -0.183 0.000 2.131 398 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 398 L C 2.408 179.061 176.870 -0.363 0.000 1.092 398 L CA 0.747 55.471 54.840 -0.194 0.000 0.759 398 L CB -0.661 41.347 42.059 -0.085 0.000 0.903 398 L HN 0.237 nan 8.230 nan 0.000 0.435 399 I N -0.269 119.949 120.570 -0.588 0.000 2.142 399 I HA -0.305 3.865 4.170 -0.001 0.000 0.240 399 I C 2.607 178.590 176.117 -0.223 0.000 1.078 399 I CA 1.610 62.601 61.300 -0.516 0.000 1.343 399 I CB -1.061 36.647 38.000 -0.486 0.000 1.046 399 I HN 0.464 nan 8.210 nan 0.000 0.405 400 Q N 1.030 120.725 119.800 -0.175 0.000 2.135 400 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 400 Q C 2.286 178.246 176.000 -0.067 0.000 0.981 400 Q CA 2.144 57.886 55.803 -0.102 0.000 0.856 400 Q CB 0.060 28.745 28.738 -0.087 0.000 0.902 400 Q HN 0.523 nan 8.270 nan 0.000 0.425 401 A N -0.136 122.642 122.820 -0.069 0.000 1.872 401 A HA -0.121 4.198 4.320 -0.001 0.000 0.214 401 A C 2.215 179.799 177.584 -0.000 0.000 1.187 401 A CA 1.705 53.725 52.037 -0.028 0.000 0.614 401 A CB -0.896 18.090 19.000 -0.023 0.000 0.826 401 A HN 0.450 nan 8.150 nan 0.000 0.442 402 T N 0.267 114.817 114.554 -0.005 0.000 2.720 402 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 402 T C 1.928 176.667 174.700 0.065 0.000 1.037 402 T CA 1.680 63.809 62.100 0.050 0.000 1.144 402 T CB -0.211 68.710 68.868 0.089 0.000 0.864 402 T HN 0.462 nan 8.240 nan 0.000 0.444 403 K N 0.475 120.894 120.400 0.031 0.000 2.032 403 K HA -0.043 4.277 4.320 -0.001 0.000 0.209 403 K C 2.270 178.915 176.600 0.076 0.000 1.048 403 K CA 1.255 57.569 56.287 0.044 0.000 0.927 403 K CB -0.457 32.039 32.500 -0.007 0.000 0.712 403 K HN 0.351 nan 8.250 nan 0.000 0.441 404 I N 0.748 121.347 120.570 0.048 0.000 2.127 404 I HA -0.304 3.865 4.170 -0.001 0.000 0.241 404 I C 2.363 178.536 176.117 0.092 0.000 1.075 404 I CA 1.119 62.459 61.300 0.067 0.000 1.334 404 I CB -0.371 37.645 38.000 0.027 0.000 1.040 404 I HN -0.085 nan 8.210 nan 0.000 0.405 405 V N 1.036 121.004 119.914 0.091 0.000 2.282 405 V HA -0.368 3.751 4.120 -0.001 0.000 0.249 405 V C 2.694 178.893 176.094 0.176 0.000 1.057 405 V CA 2.176 64.564 62.300 0.147 0.000 1.032 405 V CB -1.175 30.733 31.823 0.141 0.000 0.645 405 V HN 0.540 nan 8.190 nan 0.000 0.447 406 A N -0.694 122.222 122.820 0.162 0.000 1.865 406 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 406 A C 2.143 179.819 177.584 0.152 0.000 1.191 406 A CA 2.218 54.358 52.037 0.171 0.000 0.623 406 A CB -0.783 18.320 19.000 0.171 0.000 0.826 406 A HN 0.522 nan 8.150 nan 0.000 0.444 407 F N 0.472 120.430 119.950 0.014 0.000 2.046 407 F HA -0.204 4.322 4.527 -0.001 0.000 0.297 407 F C 2.383 178.137 175.800 -0.077 0.000 1.123 407 F CA 2.421 60.412 58.000 -0.014 0.000 1.199 407 F CB -0.169 38.816 39.000 -0.024 0.000 0.972 407 F HN 0.203 nan 8.300 nan 0.000 0.474 408 K N -0.338 119.989 120.400 -0.122 0.000 2.052 408 K HA -0.276 4.043 4.320 -0.001 0.000 0.215 408 K C 1.318 177.565 176.600 -0.587 0.000 1.053 408 K CA 2.244 58.273 56.287 -0.431 0.000 0.934 408 K CB -0.639 31.506 32.500 -0.592 0.000 0.717 408 K HN 0.451 nan 8.250 nan 0.000 0.450 409 Y N 1.283 121.515 120.300 -0.114 0.000 2.537 409 Y HA 0.154 4.703 4.550 -0.001 0.000 0.303 409 Y C -0.256 175.511 175.900 -0.222 0.000 1.176 409 Y CA -0.627 57.398 58.100 -0.126 0.000 1.273 409 Y CB 0.462 38.920 38.460 -0.002 0.000 1.110 409 Y HN -0.079 nan 8.280 nan 0.000 0.518 410 K N 1.368 121.617 120.400 -0.252 0.000 4.166 410 K HA -0.236 4.084 4.320 -0.001 0.000 0.276 410 K C -0.050 176.507 176.600 -0.072 0.000 0.808 410 K CA 1.009 57.121 56.287 -0.290 0.000 0.717 410 K CB -1.370 30.652 32.500 -0.796 0.000 1.774 410 K HN 0.458 nan 8.250 nan 0.000 0.427 411 T N -1.866 112.733 114.554 0.075 0.000 2.792 411 T HA 0.456 4.806 4.350 -0.001 0.000 0.303 411 T C -0.951 173.872 174.700 0.205 0.000 1.310 411 T CA -0.625 61.577 62.100 0.170 0.000 1.007 411 T CB 1.603 70.576 68.868 0.175 0.000 1.335 411 T HN -0.035 nan 8.240 nan 0.000 0.504 412 V N 2.623 122.681 119.914 0.240 0.000 2.455 412 V HA 0.628 4.747 4.120 -0.001 0.000 0.273 412 V C 0.583 176.796 176.094 0.199 0.000 1.045 412 V CA -0.355 62.097 62.300 0.253 0.000 0.976 412 V CB 0.385 32.377 31.823 0.282 0.000 0.993 412 V HN 0.975 nan 8.190 nan 0.000 0.475 413 A N 5.572 128.508 122.820 0.192 0.000 2.285 413 A HA 0.720 5.039 4.320 -0.001 0.000 0.310 413 A C -0.589 177.074 177.584 0.133 0.000 1.266 413 A CA -0.477 51.645 52.037 0.143 0.000 0.832 413 A CB 1.067 20.151 19.000 0.140 0.000 1.163 413 A HN 0.608 nan 8.150 nan 0.000 0.499 414 V N 2.021 121.984 119.914 0.083 0.000 2.465 414 V HA 0.348 4.468 4.120 -0.001 0.000 0.279 414 V C 0.111 176.239 176.094 0.057 0.000 1.045 414 V CA -0.400 61.940 62.300 0.067 0.000 0.938 414 V CB 1.065 32.894 31.823 0.010 0.000 0.986 414 V HN 0.976 nan 8.190 nan 0.000 0.467 415 C N 6.026 125.392 119.300 0.109 0.000 2.340 415 C HA 0.759 5.218 4.460 -0.001 0.000 0.323 415 C C 0.573 175.620 174.990 0.094 0.000 1.260 415 C CA -0.358 58.731 59.018 0.119 0.000 1.464 415 C CB 0.231 28.102 27.740 0.218 0.000 2.156 415 C HN 1.010 nan 8.230 nan 0.000 0.476 416 T N 3.491 118.069 114.554 0.040 0.000 2.928 416 T HA 0.907 5.256 4.350 -0.001 0.000 0.284 416 T C 0.431 175.154 174.700 0.038 0.000 1.008 416 T CA 0.257 62.365 62.100 0.012 0.000 1.057 416 T CB 1.692 70.550 68.868 -0.016 0.000 1.018 416 T HN 1.694 nan 8.240 nan 0.000 0.493 417 G N 0.667 109.476 108.800 0.016 0.000 2.399 417 G HA2 0.273 4.232 3.960 -0.001 0.000 0.256 417 G HA3 0.273 4.232 3.960 -0.001 0.000 0.256 417 G C 0.179 175.073 174.900 -0.010 0.000 1.236 417 G CA 0.007 45.129 45.100 0.037 0.000 0.914 417 G HN 0.656 nan 8.290 nan 0.000 0.482 418 E N -0.659 119.541 120.200 0.001 0.000 2.035 418 E HA -0.054 4.295 4.350 -0.001 0.000 0.204 418 E C 0.476 176.883 176.600 -0.321 0.000 1.025 418 E CA 1.504 57.821 56.400 -0.139 0.000 0.835 418 E CB -0.213 29.433 29.700 -0.090 0.000 0.764 418 E HN 0.304 nan 8.360 nan 0.000 0.457 419 F N 0.736 120.570 119.950 -0.194 0.000 2.378 419 F HA 0.292 4.818 4.527 -0.001 0.000 0.325 419 F C 0.071 175.527 175.800 -0.573 0.000 1.097 419 F CA -0.759 56.995 58.000 -0.410 0.000 1.079 419 F CB 0.887 39.501 39.000 -0.644 0.000 1.240 419 F HN -0.134 nan 8.300 nan 0.000 0.519 420 D N 2.167 122.368 120.400 -0.332 0.000 2.344 420 D HA 0.263 4.902 4.640 -0.001 0.000 0.239 420 D C -0.992 175.103 176.300 -0.342 0.000 1.064 420 D CA -0.148 53.679 54.000 -0.287 0.000 0.829 420 D CB 1.468 42.214 40.800 -0.090 0.000 1.129 420 D HN 0.167 nan 8.370 nan 0.000 0.506 421 F N 1.466 121.483 119.950 0.112 0.000 2.408 421 F HA 0.457 4.984 4.527 -0.001 0.000 0.344 421 F C 0.762 176.620 175.800 0.097 0.000 1.112 421 F CA -0.857 57.202 58.000 0.098 0.000 1.096 421 F CB 1.310 40.354 39.000 0.073 0.000 1.129 421 F HN 0.070 nan 8.300 nan 0.000 0.486 422 I N 3.402 124.143 120.570 0.285 0.000 2.437 422 I HA 0.488 4.657 4.170 -0.001 0.000 0.279 422 I C -0.334 176.002 176.117 0.365 0.000 1.028 422 I CA -0.594 60.861 61.300 0.257 0.000 1.142 422 I CB 1.198 39.292 38.000 0.156 0.000 1.266 422 I HN 0.691 nan 8.210 nan 0.000 0.461 423 A N 4.218 127.215 122.820 0.296 0.000 2.303 423 A HA 0.527 4.847 4.320 -0.001 0.000 0.317 423 A C -0.685 177.040 177.584 0.235 0.000 1.149 423 A CA -0.415 51.764 52.037 0.236 0.000 0.822 423 A CB 0.931 20.023 19.000 0.152 0.000 1.131 423 A HN 0.642 nan 8.150 nan 0.000 0.493 424 D N 1.954 122.377 120.400 0.038 0.000 2.460 424 D HA 0.427 5.066 4.640 -0.001 0.000 0.232 424 D C 0.538 176.861 176.300 0.038 0.000 1.079 424 D CA 0.041 54.024 54.000 -0.029 0.000 0.864 424 D CB 1.006 41.481 40.800 -0.542 0.000 1.048 424 D HN 0.513 nan 8.370 nan 0.000 0.523 425 G N 2.186 111.069 108.800 0.139 0.000 3.707 425 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.286 425 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.286 425 G C 1.220 176.229 174.900 0.182 0.000 1.112 425 G CA 0.245 45.463 45.100 0.196 0.000 0.861 425 G HN 0.509 nan 8.290 nan 0.000 0.534 426 T N -0.714 113.961 114.554 0.201 0.000 2.809 426 T HA 0.031 4.380 4.350 -0.001 0.000 0.260 426 T C 1.423 176.316 174.700 0.322 0.000 1.039 426 T CA 0.765 63.052 62.100 0.311 0.000 1.141 426 T CB -0.189 68.870 68.868 0.319 0.000 0.869 426 T HN 0.678 nan 8.240 nan 0.000 0.437 427 I N 2.301 122.987 120.570 0.195 0.000 6.341 427 I HA -0.235 3.934 4.170 -0.001 0.000 0.126 427 I C 0.474 176.652 176.117 0.102 0.000 1.823 427 I CA 0.620 62.011 61.300 0.152 0.000 2.045 427 I CB -2.163 35.960 38.000 0.204 0.000 3.471 427 I HN 0.449 nan 8.210 nan 0.000 0.172 428 E N -1.016 119.225 120.200 0.069 0.000 3.680 428 E HA -0.331 4.019 4.350 -0.001 0.000 0.309 428 E C 1.195 177.783 176.600 -0.020 0.000 0.793 428 E CA 1.290 57.697 56.400 0.012 0.000 1.083 428 E CB -1.577 28.121 29.700 -0.004 0.000 1.548 428 E HN 1.750 nan 8.360 nan 0.000 0.456 429 G N 1.103 109.906 108.800 0.005 0.000 2.165 429 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.226 429 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.226 429 G C -0.083 174.631 174.900 -0.311 0.000 1.035 429 G CA 0.494 45.481 45.100 -0.189 0.000 0.744 429 G HN 0.152 nan 8.290 nan 0.000 0.501 430 K N -0.043 120.256 120.400 -0.169 0.000 2.276 430 K HA 0.557 4.877 4.320 -0.001 0.000 0.283 430 K C 0.070 176.668 176.600 -0.005 0.000 1.044 430 K CA -0.389 55.836 56.287 -0.105 0.000 0.944 430 K CB 0.661 33.150 32.500 -0.018 0.000 1.012 430 K HN 0.554 nan 8.250 nan 0.000 0.472 431 Y N -1.388 118.867 120.300 -0.075 0.000 2.545 431 Y HA 0.628 5.177 4.550 -0.001 0.000 0.348 431 Y C -0.542 175.366 175.900 0.013 0.000 1.002 431 Y CA -1.140 56.960 58.100 0.000 0.000 1.039 431 Y CB 1.517 39.986 38.460 0.015 0.000 1.271 431 Y HN 0.556 nan 8.280 nan 0.000 0.467 432 S N 1.272 117.082 115.700 0.185 0.000 2.638 432 S HA 0.635 5.104 4.470 -0.001 0.000 0.274 432 S C -1.295 173.386 174.600 0.134 0.000 1.157 432 S CA -1.153 57.106 58.200 0.099 0.000 0.826 432 S CB 1.464 64.699 63.200 0.057 0.000 1.139 432 S HN 0.776 nan 8.310 nan 0.000 0.474 433 L N 2.173 123.454 121.223 0.096 0.000 2.923 433 L HA 0.526 4.866 4.340 -0.001 0.000 0.231 433 L C -0.354 176.559 176.870 0.072 0.000 1.300 433 L CA 0.040 54.934 54.840 0.090 0.000 1.184 433 L CB -0.981 41.130 42.059 0.087 0.000 1.511 433 L HN 0.932 nan 8.230 nan 0.000 0.448 438 N N 1.244 119.994 118.700 0.082 0.000 2.268 438 N HA -0.145 4.595 4.740 -0.001 0.000 0.201 438 N C 1.459 177.049 175.510 0.133 0.000 0.971 438 N CA 1.945 55.070 53.050 0.126 0.000 0.926 438 N CB -1.447 37.111 38.487 0.118 0.000 1.031 438 N HN 0.800 nan 8.380 nan 0.000 0.505 439 G N -0.430 108.419 108.800 0.082 0.000 2.909 439 G HA2 0.390 4.349 3.960 -0.001 0.000 0.269 439 G HA3 0.390 4.349 3.960 -0.001 0.000 0.269 439 G C -0.164 174.758 174.900 0.035 0.000 0.726 439 G CA 0.599 45.730 45.100 0.052 0.000 2.082 439 G HN 0.470 nan 8.290 nan 0.000 0.588 440 T N 1.057 115.639 114.554 0.047 0.000 3.141 440 T HA 0.359 4.709 4.350 -0.001 0.000 0.377 440 T C 0.669 175.308 174.700 -0.102 0.000 1.258 440 T CA -0.465 61.640 62.100 0.007 0.000 1.263 440 T CB 0.675 69.582 68.868 0.065 0.000 1.066 440 T HN 0.564 nan 8.240 nan 0.000 0.546 441 S N 1.774 117.368 115.700 -0.177 0.000 2.580 441 S HA 0.200 4.669 4.470 -0.001 0.000 0.261 441 S C 1.817 176.058 174.600 -0.599 0.000 1.366 441 S CA -0.661 57.324 58.200 -0.359 0.000 0.996 441 S CB 0.302 63.371 63.200 -0.218 0.000 0.902 441 S HN 0.262 nan 8.310 nan 0.000 0.566 442 V N 2.537 121.969 119.914 -0.805 0.000 2.225 442 V HA -0.349 3.771 4.120 -0.001 0.000 0.252 442 V C 2.870 178.775 176.094 -0.315 0.000 1.055 442 V CA 2.702 64.613 62.300 -0.649 0.000 1.032 442 V CB -1.686 29.933 31.823 -0.340 0.000 0.655 442 V HN 1.091 nan 8.190 nan 0.000 0.458 443 E N 0.079 120.152 120.200 -0.211 0.000 2.233 443 E HA -0.310 4.040 4.350 -0.001 0.000 0.199 443 E C 1.627 178.168 176.600 -0.099 0.000 1.004 443 E CA 1.874 58.199 56.400 -0.125 0.000 0.819 443 E CB -0.557 29.082 29.700 -0.101 0.000 0.738 443 E HN 0.677 nan 8.360 nan 0.000 0.478 444 D N 1.910 122.240 120.400 -0.117 0.000 2.149 444 D HA -0.016 4.624 4.640 -0.001 0.000 0.201 444 D C 1.484 177.753 176.300 -0.051 0.000 0.972 444 D CA 0.728 54.683 54.000 -0.076 0.000 0.835 444 D CB -0.392 40.363 40.800 -0.075 0.000 0.966 444 D HN 0.414 nan 8.370 nan 0.000 0.476 445 I N 0.453 120.992 120.570 -0.051 0.000 2.932 445 I HA 0.024 4.193 4.170 -0.001 0.000 0.295 445 I C -2.186 173.912 176.117 -0.032 0.000 1.227 445 I CA -1.299 59.988 61.300 -0.022 0.000 1.429 445 I CB -0.457 37.562 38.000 0.031 0.000 1.339 445 I HN -0.226 nan 8.210 nan 0.000 0.589 446 P HA -0.002 nan 4.420 nan 0.000 0.263 446 P C -0.768 176.508 177.300 -0.041 0.000 1.195 446 P CA -0.147 62.895 63.100 -0.096 0.000 0.762 446 P CB 0.536 32.046 31.700 -0.317 0.000 0.799 447 C N 5.432 124.784 119.300 0.088 0.000 2.432 447 C HA 0.537 4.997 4.460 -0.001 0.000 0.334 447 C C 0.071 175.189 174.990 0.213 0.000 1.155 447 C CA -0.406 58.711 59.018 0.164 0.000 1.335 447 C CB 0.301 28.112 27.740 0.118 0.000 1.964 447 C HN 0.565 nan 8.230 nan 0.000 0.444 448 V N 3.937 124.009 119.914 0.263 0.000 3.211 448 V HA 1.038 5.158 4.120 -0.001 0.000 0.319 448 V C 0.067 176.293 176.094 0.221 0.000 1.096 448 V CA -0.051 62.351 62.300 0.170 0.000 1.029 448 V CB 1.568 33.462 31.823 0.118 0.000 1.137 448 V HN 1.482 nan 8.190 nan 0.000 0.453 449 A N 1.022 123.943 122.820 0.167 0.000 2.475 449 A HA 0.851 5.170 4.320 -0.001 0.000 0.301 449 A C -1.145 176.496 177.584 0.094 0.000 1.059 449 A CA -0.603 51.531 52.037 0.161 0.000 0.710 449 A CB 2.064 21.216 19.000 0.253 0.000 1.288 449 A HN 1.387 nan 8.150 nan 0.000 0.408 450 V N 2.023 121.961 119.914 0.040 0.000 2.443 450 V HA 0.472 4.592 4.120 -0.001 0.000 0.293 450 V C -0.075 176.028 176.094 0.015 0.000 1.021 450 V CA -0.372 61.952 62.300 0.039 0.000 0.848 450 V CB 1.399 33.234 31.823 0.022 0.000 0.998 450 V HN 0.992 nan 8.190 nan 0.000 0.424 451 E N 3.537 123.751 120.200 0.024 0.000 2.249 451 E HA 0.848 5.197 4.350 -0.001 0.000 0.263 451 E C -0.259 176.279 176.600 -0.102 0.000 0.950 451 E CA -0.374 55.951 56.400 -0.125 0.000 0.827 451 E CB 2.260 31.919 29.700 -0.068 0.000 1.220 451 E HN 0.727 nan 8.360 nan 0.000 0.411 452 A N 2.068 124.787 122.820 -0.168 0.000 2.701 452 A HA 0.455 4.774 4.320 -0.001 0.000 0.197 452 A C 0.291 177.809 177.584 -0.110 0.000 1.464 452 A CA 0.324 52.305 52.037 -0.093 0.000 1.393 452 A CB -0.479 18.490 19.000 -0.051 0.000 1.108 452 A HN 1.065 nan 8.150 nan 0.000 0.570 453 G N 0.719 109.421 108.800 -0.163 0.000 2.877 453 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.279 453 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.279 453 G C -2.326 172.492 174.900 -0.137 0.000 1.431 453 G CA -0.202 44.818 45.100 -0.135 0.000 0.883 453 G HN 0.762 nan 8.290 nan 0.000 0.547 454 P HA 0.572 nan 4.420 nan 0.000 0.280 454 P C 0.650 177.910 177.300 -0.067 0.000 1.300 454 P CA 0.740 63.788 63.100 -0.086 0.000 0.785 454 P CB 0.118 31.781 31.700 -0.063 0.000 0.874 466 C N 2.796 122.047 119.300 -0.082 0.000 2.539 466 C HA 0.364 4.824 4.460 -0.001 0.000 0.271 466 C C 2.863 177.741 174.990 -0.185 0.000 1.412 466 C CA 1.599 60.509 59.018 -0.181 0.000 1.729 466 C CB -1.453 26.093 27.740 -0.323 0.000 1.739 466 C HN 0.393 nan 8.230 nan 0.000 0.570 467 S N 0.885 116.467 115.700 -0.198 0.000 2.447 467 S HA -0.128 4.342 4.470 -0.001 0.000 0.233 467 S C 1.569 175.947 174.600 -0.370 0.000 1.006 467 S CA 0.907 58.932 58.200 -0.292 0.000 0.957 467 S CB -0.416 62.611 63.200 -0.288 0.000 0.773 467 S HN 0.604 nan 8.310 nan 0.000 0.507 468 L N 3.099 123.886 121.223 -0.727 0.000 1.990 468 L HA -0.045 4.294 4.340 -0.001 0.000 0.213 468 L C 2.360 178.999 176.870 -0.385 0.000 1.072 468 L CA 2.227 56.545 54.840 -0.871 0.000 0.755 468 L CB -1.601 39.990 42.059 -0.780 0.000 0.889 468 L HN 0.305 nan 8.230 nan 0.000 0.432 469 G N -1.492 107.142 108.800 -0.277 0.000 2.513 469 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.219 469 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.219 469 G C 1.539 176.355 174.900 -0.140 0.000 1.160 469 G CA 1.181 46.175 45.100 -0.177 0.000 0.767 469 G HN 0.541 nan 8.290 nan 0.000 0.571 470 S N 0.127 115.756 115.700 -0.118 0.000 2.382 470 S HA -0.117 4.352 4.470 -0.001 0.000 0.228 470 S C 2.458 177.037 174.600 -0.036 0.000 1.027 470 S CA 1.723 59.904 58.200 -0.032 0.000 0.991 470 S CB -0.478 62.754 63.200 0.054 0.000 0.823 470 S HN 0.463 nan 8.310 nan 0.000 0.469 471 T N 2.941 117.452 114.554 -0.072 0.000 2.668 471 T HA 0.085 4.434 4.350 -0.001 0.000 0.262 471 T C 1.800 176.483 174.700 -0.028 0.000 1.045 471 T CA 1.060 63.141 62.100 -0.031 0.000 1.152 471 T CB -0.488 68.376 68.868 -0.008 0.000 0.864 471 T HN 0.285 nan 8.240 nan 0.000 0.419 472 I N 1.696 122.229 120.570 -0.062 0.000 2.143 472 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 472 I C 2.922 179.032 176.117 -0.013 0.000 1.068 472 I CA 1.499 62.777 61.300 -0.037 0.000 1.326 472 I CB -0.628 37.337 38.000 -0.059 0.000 1.028 472 I HN 0.219 nan 8.210 nan 0.000 0.412 473 A N -0.242 122.560 122.820 -0.030 0.000 1.933 473 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 473 A C 2.408 180.003 177.584 0.018 0.000 1.175 473 A CA 1.896 53.923 52.037 -0.016 0.000 0.628 473 A CB -1.069 17.889 19.000 -0.071 0.000 0.814 473 A HN 0.579 nan 8.150 nan 0.000 0.444 474 C N -1.064 118.248 119.300 0.019 0.000 2.467 474 C HA -0.001 4.458 4.460 -0.001 0.000 0.279 474 C C 2.821 177.833 174.990 0.036 0.000 1.347 474 C CA 0.961 60.000 59.018 0.035 0.000 1.748 474 C CB -0.875 26.884 27.740 0.033 0.000 1.977 474 C HN 0.564 nan 8.230 nan 0.000 0.501 475 M N 0.596 120.216 119.600 0.033 0.000 2.156 475 M HA 0.029 4.508 4.480 -0.001 0.000 0.264 475 M C 1.956 178.286 176.300 0.050 0.000 1.067 475 M CA 1.662 56.986 55.300 0.039 0.000 1.131 475 M CB -1.130 31.493 32.600 0.038 0.000 1.368 475 M HN 0.334 nan 8.290 nan 0.000 0.416 476 I N -0.372 120.231 120.570 0.054 0.000 2.439 476 I HA -0.122 4.047 4.170 -0.001 0.000 0.251 476 I C 2.537 178.709 176.117 0.092 0.000 1.139 476 I CA 1.064 62.407 61.300 0.071 0.000 1.438 476 I CB -0.976 37.068 38.000 0.074 0.000 1.085 476 I HN 0.306 nan 8.210 nan 0.000 0.427 477 G N 0.762 109.617 108.800 0.091 0.000 2.442 477 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.219 477 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.219 477 G C 1.668 176.667 174.900 0.166 0.000 1.141 477 G CA 0.891 46.067 45.100 0.127 0.000 0.763 477 G HN 0.508 nan 8.290 nan 0.000 0.554 478 G N -0.691 108.162 108.800 0.088 0.000 2.777 478 G HA2 0.129 4.088 3.960 -0.001 0.000 0.211 478 G HA3 0.129 4.088 3.960 -0.001 0.000 0.211 478 G C 0.805 175.741 174.900 0.059 0.000 1.149 478 G CA -0.210 44.894 45.100 0.007 0.000 0.785 478 G HN 0.300 nan 8.290 nan 0.000 0.536 479 Q N 1.151 121.016 119.800 0.109 0.000 2.361 479 Q HA 0.200 4.539 4.340 -0.001 0.000 0.276 479 Q C -2.285 173.824 176.000 0.181 0.000 1.022 479 Q CA -0.821 55.049 55.803 0.112 0.000 0.898 479 Q CB 1.212 30.005 28.738 0.090 0.000 1.246 479 Q HN 0.237 nan 8.270 nan 0.000 0.410 480 P HA 0.158 nan 4.420 nan 0.000 0.289 480 P C 0.300 177.639 177.300 0.064 0.000 1.293 480 P CA -0.493 62.697 63.100 0.151 0.000 0.897 480 P CB 1.028 32.819 31.700 0.151 0.000 1.166 481 S N 1.205 116.921 115.700 0.027 0.000 2.441 481 S HA -0.317 4.152 4.470 -0.001 0.000 0.249 481 S C 1.029 175.631 174.600 0.004 0.000 1.097 481 S CA 2.296 60.495 58.200 -0.002 0.000 1.080 481 S CB -1.440 61.752 63.200 -0.014 0.000 0.914 481 S HN 0.601 nan 8.310 nan 0.000 0.464 482 E N 1.805 122.017 120.200 0.020 0.000 2.479 482 E HA 0.410 4.759 4.350 -0.001 0.000 0.193 482 E C 1.202 177.824 176.600 0.037 0.000 1.049 482 E CA 0.309 56.722 56.400 0.022 0.000 0.870 482 E CB -0.736 28.977 29.700 0.022 0.000 0.944 482 E HN 0.625 nan 8.360 nan 0.000 0.492 483 G N 1.010 109.837 108.800 0.046 0.000 2.712 483 G HA2 0.082 4.042 3.960 -0.001 0.000 0.258 483 G HA3 0.082 4.042 3.960 -0.001 0.000 0.258 483 G C -0.485 174.457 174.900 0.071 0.000 1.241 483 G CA -0.508 44.630 45.100 0.064 0.000 0.923 483 G HN 0.237 nan 8.290 nan 0.000 0.548 484 N N -0.738 118.026 118.700 0.107 0.000 2.448 484 N HA 0.257 4.997 4.740 -0.001 0.000 0.279 484 N C 1.011 176.586 175.510 0.108 0.000 1.025 484 N CA -0.747 52.367 53.050 0.107 0.000 0.898 484 N CB 1.552 40.127 38.487 0.146 0.000 1.303 484 N HN 0.284 nan 8.380 nan 0.000 0.495 485 L N 4.393 125.666 121.223 0.084 0.000 2.021 485 L HA -0.075 4.264 4.340 -0.001 0.000 0.215 485 L C 1.564 178.517 176.870 0.138 0.000 1.074 485 L CA 1.914 56.816 54.840 0.103 0.000 0.760 485 L CB -0.896 41.223 42.059 0.100 0.000 0.889 485 L HN 0.762 nan 8.230 nan 0.000 0.433 486 F N -0.535 119.406 119.950 -0.014 0.000 2.134 486 F HA -0.241 4.286 4.527 -0.001 0.000 0.299 486 F C 2.546 178.338 175.800 -0.013 0.000 1.097 486 F CA 1.943 59.920 58.000 -0.039 0.000 1.264 486 F CB -0.491 38.438 39.000 -0.119 0.000 1.001 486 F HN 0.289 nan 8.300 nan 0.000 0.479 487 H N -0.107 118.935 119.070 -0.046 0.000 2.326 487 H HA 0.021 4.576 4.556 -0.001 0.000 0.301 487 H C 2.431 177.683 175.328 -0.127 0.000 1.081 487 H CA 1.241 57.206 56.048 -0.139 0.000 1.334 487 H CB -1.070 28.684 29.762 -0.012 0.000 1.385 487 H HN 0.336 nan 8.280 nan 0.000 0.504 488 A N 0.801 123.674 122.820 0.087 0.000 1.869 488 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 488 A C 2.874 180.458 177.584 0.000 0.000 1.203 488 A CA 2.480 54.546 52.037 0.049 0.000 0.638 488 A CB -1.136 17.901 19.000 0.063 0.000 0.831 488 A HN 0.222 nan 8.150 nan 0.000 0.450 489 V N -0.285 119.608 119.914 -0.035 0.000 2.252 489 V HA -0.301 3.819 4.120 -0.001 0.000 0.249 489 V C 2.598 178.634 176.094 -0.096 0.000 1.056 489 V CA 2.242 64.509 62.300 -0.056 0.000 1.022 489 V CB -1.085 30.712 31.823 -0.043 0.000 0.641 489 V HN 0.411 nan 8.190 nan 0.000 0.445 490 V N 0.346 120.134 119.914 -0.210 0.000 2.287 490 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 490 V C 2.731 178.801 176.094 -0.041 0.000 1.053 490 V CA 2.060 64.254 62.300 -0.176 0.000 1.027 490 V CB -1.478 30.169 31.823 -0.293 0.000 0.646 490 V HN 0.567 nan 8.190 nan 0.000 0.447 491 A N 0.862 123.676 122.820 -0.010 0.000 1.869 491 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 491 A C 2.503 180.150 177.584 0.106 0.000 1.203 491 A CA 2.619 54.695 52.037 0.064 0.000 0.638 491 A CB -1.642 17.392 19.000 0.057 0.000 0.831 491 A HN 0.570 nan 8.150 nan 0.000 0.450 492 G N -0.611 108.224 108.800 0.059 0.000 2.649 492 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.220 492 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.220 492 G C 1.534 176.475 174.900 0.069 0.000 1.189 492 G CA 1.985 47.115 45.100 0.051 0.000 0.777 492 G HN 0.519 nan 8.290 nan 0.000 0.602 493 V N 1.042 120.979 119.914 0.038 0.000 2.392 493 V HA -0.225 3.894 4.120 -0.001 0.000 0.249 493 V C 2.923 179.086 176.094 0.116 0.000 1.059 493 V CA 2.002 64.334 62.300 0.054 0.000 1.051 493 V CB -0.424 31.407 31.823 0.013 0.000 0.658 493 V HN 0.344 nan 8.190 nan 0.000 0.455 494 M N -1.014 118.665 119.600 0.131 0.000 2.101 494 M HA -0.113 4.367 4.480 -0.001 0.000 0.259 494 M C 2.305 178.716 176.300 0.185 0.000 1.083 494 M CA 1.719 57.137 55.300 0.196 0.000 1.114 494 M CB -1.036 31.730 32.600 0.276 0.000 1.281 494 M HN 0.257 nan 8.290 nan 0.000 0.422 495 L N -0.593 120.761 121.223 0.217 0.000 2.077 495 L HA -0.378 3.961 4.340 -0.001 0.000 0.231 495 L C 2.662 179.425 176.870 -0.179 0.000 1.100 495 L CA 2.352 57.087 54.840 -0.176 0.000 0.819 495 L CB -0.761 41.281 42.059 -0.029 0.000 0.913 495 L HN 0.260 nan 8.230 nan 0.000 0.446 496 Y N 0.500 120.728 120.300 -0.121 0.000 2.049 496 Y HA -0.370 4.179 4.550 -0.001 0.000 0.277 496 Y C 2.677 178.526 175.900 -0.085 0.000 1.143 496 Y CA 2.409 60.447 58.100 -0.103 0.000 1.115 496 Y CB -0.279 38.143 38.460 -0.063 0.000 0.975 496 Y HN 0.064 nan 8.280 nan 0.000 0.487 497 K N 0.295 120.754 120.400 0.098 0.000 2.218 497 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 497 K C 1.939 178.490 176.600 -0.081 0.000 1.046 497 K CA 1.311 57.608 56.287 0.017 0.000 0.933 497 K CB -0.590 31.947 32.500 0.060 0.000 0.728 497 K HN 0.469 nan 8.250 nan 0.000 0.454 498 A N -0.465 122.281 122.820 -0.123 0.000 1.935 498 A HA 0.176 4.495 4.320 -0.001 0.000 0.214 498 A C 2.205 179.610 177.584 -0.297 0.000 1.178 498 A CA 1.149 53.076 52.037 -0.183 0.000 0.640 498 A CB -0.516 18.338 19.000 -0.243 0.000 0.825 498 A HN 0.293 nan 8.150 nan 0.000 0.447 499 A N -0.123 122.473 122.820 -0.375 0.000 2.015 499 A HA 0.199 4.518 4.320 -0.001 0.000 0.219 499 A C 2.267 179.651 177.584 -0.333 0.000 1.163 499 A CA 1.665 53.480 52.037 -0.371 0.000 0.646 499 A CB -1.203 17.553 19.000 -0.406 0.000 0.806 499 A HN 0.625 nan 8.150 nan 0.000 0.448 500 G N -0.184 108.429 108.800 -0.312 0.000 2.587 500 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 500 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 500 G C 1.840 176.707 174.900 -0.055 0.000 1.240 500 G CA 2.818 47.823 45.100 -0.158 0.000 0.794 500 G HN 0.788 nan 8.290 nan 0.000 0.580 501 K N 0.882 121.244 120.400 -0.063 0.000 2.000 501 K HA -0.074 4.246 4.320 -0.001 0.000 0.218 501 K C 2.456 179.030 176.600 -0.043 0.000 1.053 501 K CA 1.803 58.070 56.287 -0.032 0.000 0.946 501 K CB -1.115 31.365 32.500 -0.032 0.000 0.723 501 K HN 0.426 nan 8.250 nan 0.000 0.446 502 I N 0.537 121.052 120.570 -0.092 0.000 2.185 502 I HA -0.323 3.847 4.170 -0.001 0.000 0.246 502 I C 2.876 178.932 176.117 -0.101 0.000 1.088 502 I CA 1.654 62.895 61.300 -0.099 0.000 1.347 502 I CB -0.331 37.584 38.000 -0.142 0.000 1.041 502 I HN 0.503 nan 8.210 nan 0.000 0.415 503 A N -0.511 122.215 122.820 -0.155 0.000 2.030 503 A HA -0.109 4.211 4.320 -0.001 0.000 0.215 503 A C 2.392 179.978 177.584 0.004 0.000 1.164 503 A CA 1.168 53.077 52.037 -0.213 0.000 0.697 503 A CB -0.429 18.219 19.000 -0.586 0.000 0.827 503 A HN 0.406 nan 8.150 nan 0.000 0.457 504 S N 0.089 115.880 115.700 0.151 0.000 2.419 504 S HA -0.192 4.277 4.470 -0.001 0.000 0.233 504 S C 1.607 176.268 174.600 0.102 0.000 1.016 504 S CA 1.726 60.068 58.200 0.237 0.000 0.974 504 S CB -0.322 62.969 63.200 0.151 0.000 0.786 504 S HN 0.669 nan 8.310 nan 0.000 0.492 505 E N 0.361 120.587 120.200 0.043 0.000 2.140 505 E HA 0.065 4.414 4.350 -0.001 0.000 0.191 505 E C 1.483 178.088 176.600 0.009 0.000 0.973 505 E CA 0.631 57.040 56.400 0.016 0.000 0.829 505 E CB 0.050 29.748 29.700 -0.002 0.000 0.781 505 E HN 0.557 nan 8.360 nan 0.000 0.466 506 K N 0.896 121.293 120.400 -0.005 0.000 2.410 506 K HA 0.131 4.450 4.320 -0.001 0.000 0.200 506 K C 0.600 177.199 176.600 -0.003 0.000 1.023 506 K CA -0.199 56.080 56.287 -0.015 0.000 1.149 506 K CB 0.160 32.637 32.500 -0.040 0.000 0.859 506 K HN 0.153 nan 8.250 nan 0.000 0.514 507 C N -0.624 118.697 119.300 0.036 0.000 2.396 507 C HA 0.391 4.851 4.460 -0.001 0.000 0.359 507 C C 0.940 175.957 174.990 0.044 0.000 1.307 507 C CA -0.798 58.260 59.018 0.067 0.000 2.392 507 C CB 0.618 28.476 27.740 0.197 0.000 2.245 507 C HN 0.338 nan 8.230 nan 0.000 0.615 508 N N -0.043 118.681 118.700 0.041 0.000 2.143 508 N HA 0.375 5.115 4.740 -0.001 0.000 0.222 508 N C 0.368 175.889 175.510 0.018 0.000 1.264 508 N CA 0.856 53.919 53.050 0.021 0.000 0.897 508 N CB 1.394 39.886 38.487 0.009 0.000 1.092 508 N HN 1.120 nan 8.380 nan 0.000 0.516 509 G N -0.366 108.454 108.800 0.035 0.000 2.324 509 G HA2 0.024 3.983 3.960 -0.001 0.000 0.293 509 G HA3 0.024 3.983 3.960 -0.001 0.000 0.293 509 G C 0.026 174.946 174.900 0.034 0.000 1.297 509 G CA -0.365 44.743 45.100 0.014 0.000 0.853 509 G HN -0.109 nan 8.290 nan 0.000 0.535 510 S N -0.424 115.272 115.700 -0.007 0.000 2.402 510 S HA -0.095 4.374 4.470 -0.001 0.000 0.233 510 S C 2.474 177.101 174.600 0.045 0.000 1.030 510 S CA 2.436 60.631 58.200 -0.008 0.000 1.003 510 S CB -0.551 62.619 63.200 -0.050 0.000 0.813 510 S HN 1.296 nan 8.310 nan 0.000 0.477 511 G N 1.813 110.624 108.800 0.019 0.000 2.464 511 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.214 511 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.214 511 G C 1.678 176.588 174.900 0.017 0.000 1.218 511 G CA 1.269 46.371 45.100 0.003 0.000 0.794 511 G HN 0.671 nan 8.290 nan 0.000 0.542 512 S N 0.094 115.811 115.700 0.028 0.000 2.453 512 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 512 S C 2.094 176.708 174.600 0.022 0.000 1.005 512 S CA 1.116 59.323 58.200 0.011 0.000 0.949 512 S CB -0.475 62.727 63.200 0.002 0.000 0.774 512 S HN 0.346 nan 8.310 nan 0.000 0.510 513 F N 2.284 122.203 119.950 -0.053 0.000 2.120 513 F HA -0.150 4.377 4.527 -0.001 0.000 0.300 513 F C 2.660 178.431 175.800 -0.048 0.000 1.095 513 F CA 2.074 60.043 58.000 -0.051 0.000 1.249 513 F CB -0.466 38.503 39.000 -0.053 0.000 0.995 513 F HN 0.262 nan 8.300 nan 0.000 0.480 514 Q N -0.274 119.561 119.800 0.058 0.000 2.046 514 Q HA -0.192 4.147 4.340 -0.001 0.000 0.200 514 Q C 2.394 178.334 176.000 -0.100 0.000 0.975 514 Q CA 1.915 57.687 55.803 -0.051 0.000 0.836 514 Q CB -0.422 28.230 28.738 -0.143 0.000 0.896 514 Q HN 0.434 nan 8.270 nan 0.000 0.428 515 V N 0.713 120.577 119.914 -0.084 0.000 2.667 515 V HA -0.154 3.965 4.120 -0.001 0.000 0.252 515 V C 1.654 177.688 176.094 -0.100 0.000 1.065 515 V CA 1.620 63.882 62.300 -0.064 0.000 1.083 515 V CB -0.188 31.604 31.823 -0.050 0.000 0.692 515 V HN 0.338 nan 8.190 nan 0.000 0.468 516 E N -0.213 119.889 120.200 -0.163 0.000 2.216 516 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 516 E C 1.964 178.400 176.600 -0.273 0.000 0.988 516 E CA 1.036 57.318 56.400 -0.196 0.000 0.834 516 E CB -0.106 29.479 29.700 -0.192 0.000 0.772 516 E HN 0.577 nan 8.360 nan 0.000 0.479 517 L N 1.019 122.007 121.223 -0.392 0.000 2.027 517 L HA -0.086 4.254 4.340 -0.001 0.000 0.206 517 L C 2.155 178.916 176.870 -0.182 0.000 1.074 517 L CA 1.320 55.924 54.840 -0.394 0.000 0.745 517 L CB -0.286 41.485 42.059 -0.480 0.000 0.898 517 L HN 0.004 nan 8.230 nan 0.000 0.433 518 I N -0.718 119.815 120.570 -0.061 0.000 2.394 518 I HA -0.234 3.935 4.170 -0.001 0.000 0.251 518 I C 1.981 178.088 176.117 -0.016 0.000 1.136 518 I CA 1.145 62.446 61.300 0.001 0.000 1.425 518 I CB -0.552 37.496 38.000 0.081 0.000 1.079 518 I HN 0.273 nan 8.210 nan 0.000 0.425 519 D N 1.144 121.512 120.400 -0.052 0.000 2.084 519 D HA -0.113 4.526 4.640 -0.001 0.000 0.196 519 D C 2.296 178.588 176.300 -0.013 0.000 0.985 519 D CA 1.589 55.565 54.000 -0.039 0.000 0.826 519 D CB -0.093 40.662 40.800 -0.075 0.000 0.978 519 D HN 0.263 nan 8.370 nan 0.000 0.456 520 A N 0.630 123.393 122.820 -0.095 0.000 1.873 520 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 520 A C 2.427 179.925 177.584 -0.142 0.000 1.193 520 A CA 1.410 53.365 52.037 -0.136 0.000 0.629 520 A CB -1.086 17.785 19.000 -0.216 0.000 0.826 520 A HN 0.313 nan 8.150 nan 0.000 0.447 521 L N -2.253 118.883 121.223 -0.144 0.000 2.051 521 L HA -0.277 4.063 4.340 -0.001 0.000 0.214 521 L C 2.621 179.450 176.870 -0.068 0.000 1.076 521 L CA 2.268 57.028 54.840 -0.133 0.000 0.758 521 L CB -0.671 41.338 42.059 -0.084 0.000 0.890 521 L HN 0.665 nan 8.230 nan 0.000 0.433 522 Y N 0.646 120.884 120.300 -0.103 0.000 2.133 522 Y HA -0.242 4.307 4.550 -0.001 0.000 0.287 522 Y C 2.856 178.717 175.900 -0.065 0.000 1.134 522 Y CA 1.546 59.605 58.100 -0.068 0.000 1.133 522 Y CB -0.108 38.321 38.460 -0.053 0.000 0.987 522 Y HN -0.044 nan 8.280 nan 0.000 0.502 523 R N -0.534 120.034 120.500 0.115 0.000 2.073 523 R HA -0.179 4.160 4.340 -0.001 0.000 0.234 523 R C 2.074 178.325 176.300 -0.081 0.000 1.134 523 R CA 1.557 57.675 56.100 0.029 0.000 0.952 523 R CB -0.707 29.622 30.300 0.048 0.000 0.850 523 R HN 0.299 nan 8.270 nan 0.000 0.433 524 L N 0.638 121.778 121.223 -0.138 0.000 2.043 524 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 524 L C 2.546 179.384 176.870 -0.054 0.000 1.075 524 L CA 2.253 56.979 54.840 -0.190 0.000 0.752 524 L CB -1.077 40.674 42.059 -0.513 0.000 0.891 524 L HN 0.395 nan 8.230 nan 0.000 0.432 525 T N -5.144 109.345 114.554 -0.109 0.000 3.043 525 T HA -0.046 4.304 4.350 -0.001 0.000 0.263 525 T C 2.072 176.716 174.700 -0.093 0.000 1.094 525 T CA 0.197 62.266 62.100 -0.052 0.000 1.127 525 T CB 0.023 68.835 68.868 -0.093 0.000 0.905 525 T HN 0.007 nan 8.240 nan 0.000 0.490 526 R N 2.541 122.929 120.500 -0.186 0.000 2.057 526 R HA 0.072 4.411 4.340 -0.001 0.000 0.229 526 R C 1.814 178.077 176.300 -0.062 0.000 1.136 526 R CA 1.366 57.357 56.100 -0.181 0.000 0.952 526 R CB -0.624 29.506 30.300 -0.284 0.000 0.848 526 R HN 0.817 nan 8.270 nan 0.000 0.430 527 E N 1.345 121.533 120.200 -0.020 0.000 2.545 527 E HA 0.002 4.352 4.350 -0.001 0.000 0.271 527 E C -0.502 176.149 176.600 0.086 0.000 1.508 527 E CA -0.299 56.119 56.400 0.031 0.000 1.774 527 E CB -0.712 29.014 29.700 0.044 0.000 1.460 527 E HN -0.017 nan 8.360 nan 0.000 0.449 528 N N 2.365 121.107 118.700 0.070 0.000 2.278 528 N HA -0.125 4.614 4.740 -0.001 0.000 0.287 528 N C -0.892 174.656 175.510 0.064 0.000 1.374 528 N CA 0.880 53.996 53.050 0.110 0.000 1.007 528 N CB -0.038 38.478 38.487 0.049 0.000 1.428 528 N HN 0.437 nan 8.380 nan 0.000 0.489 529 T N 1.178 115.793 114.554 0.101 0.000 3.631 529 T HA 0.308 4.658 4.350 -0.001 0.000 0.256 529 T C -2.152 172.396 174.700 -0.254 0.000 1.187 529 T CA -1.169 60.908 62.100 -0.038 0.000 1.667 529 T CB 1.220 70.097 68.868 0.017 0.000 0.804 529 T HN 0.069 nan 8.240 nan 0.000 0.639 530 P HA 0.031 nan 4.420 nan 0.000 0.224 530 P C 1.849 178.636 177.300 -0.855 0.000 1.142 530 P CA 0.848 63.007 63.100 -1.569 0.000 0.778 530 P CB -0.239 30.701 31.700 -1.266 0.000 0.764 531 V N -0.357 119.303 119.914 -0.423 0.000 3.186 531 V HA -0.174 3.945 4.120 -0.001 0.000 0.270 531 V C 2.066 178.076 176.094 -0.140 0.000 1.149 531 V CA 2.593 64.756 62.300 -0.229 0.000 1.160 531 V CB -1.488 30.250 31.823 -0.143 0.000 0.758 531 V HN 0.317 nan 8.190 nan 0.000 0.516 532 T N -6.038 108.444 114.554 -0.120 0.000 2.959 532 T HA 0.125 4.475 4.350 -0.001 0.000 0.254 532 T C 0.250 175.063 174.700 0.188 0.000 1.003 532 T CA -0.390 61.739 62.100 0.048 0.000 0.950 532 T CB -0.132 68.801 68.868 0.108 0.000 1.090 532 T HN 0.451 nan 8.240 nan 0.000 0.503 533 W N 2.070 123.357 121.300 -0.021 0.000 2.210 533 W HA 0.701 5.361 4.660 -0.001 0.000 0.330 533 W C 1.715 178.221 176.519 -0.021 0.000 1.334 533 W CA -1.425 55.906 57.345 -0.024 0.000 1.227 533 W CB -0.278 29.166 29.460 -0.027 0.000 1.178 533 W HN 0.285 nan 8.180 nan 0.000 0.560 534 A N 4.247 127.193 122.820 0.211 0.000 1.985 534 A HA -0.177 4.143 4.320 -0.001 0.000 0.223 534 A C -0.836 176.801 177.584 0.087 0.000 1.189 534 A CA 1.402 53.501 52.037 0.103 0.000 0.658 534 A CB -2.249 16.778 19.000 0.046 0.000 0.820 534 A HN 0.473 nan 8.150 nan 0.000 0.464 535 P HA 0.534 nan 4.420 nan 0.000 0.290 535 P C -0.874 176.466 177.300 0.066 0.000 1.275 535 P CA -0.264 62.880 63.100 0.073 0.000 0.841 535 P CB 1.293 33.046 31.700 0.087 0.000 1.042 536 K N 2.515 122.944 120.400 0.048 0.000 2.234 536 K HA 0.361 4.680 4.320 -0.001 0.000 0.277 536 K C -0.602 176.035 176.600 0.061 0.000 1.038 536 K CA -0.703 55.615 56.287 0.053 0.000 0.888 536 K CB 0.278 32.812 32.500 0.058 0.000 1.091 536 K HN 0.583 nan 8.250 nan 0.000 0.467 537 L N 3.702 124.955 121.223 0.050 0.000 2.270 537 L HA 0.389 4.728 4.340 -0.001 0.000 0.286 537 L C 0.848 177.744 176.870 0.044 0.000 1.059 537 L CA 0.147 55.013 54.840 0.042 0.000 0.839 537 L CB 0.732 42.801 42.059 0.018 0.000 1.221 537 L HN 0.942 nan 8.230 nan 0.000 0.431 538 T N 1.010 115.606 114.554 0.070 0.000 3.210 538 T HA 0.384 4.733 4.350 -0.001 0.000 0.290 538 T C -0.104 174.619 174.700 0.038 0.000 1.229 538 T CA -0.305 61.849 62.100 0.090 0.000 0.920 538 T CB 0.377 69.328 68.868 0.139 0.000 2.279 538 T HN 0.521 nan 8.240 nan 0.000 0.552 539 H N 0.957 120.094 119.070 0.111 0.000 2.917 539 H HA 0.477 5.033 4.556 -0.001 0.000 0.279 539 H C 0.719 176.103 175.328 0.094 0.000 1.211 539 H CA -0.051 56.060 56.048 0.106 0.000 1.534 539 H CB 0.591 30.401 29.762 0.079 0.000 1.581 539 H HN 1.101 nan 8.280 nan 0.000 0.510 540 T N 0.000 114.684 114.554 0.216 0.000 3.816 540 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 540 T CA 0.000 62.193 62.100 0.155 0.000 1.349 540 T CB 0.000 68.980 68.868 0.187 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658