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 1cjy_1_A DATA FIRST_RESID 13 DATA SEQUENCE EHQYSHKFTV VVLRATKVTK GAFGDMLDTP DPYVELFIST TPDSRKRTRH DATA SEQUENCE FNNDINPVWN ETFEFILDPN QENVLEITLM DANYVMDETL GTATFTVSSM DATA SEQUENCE KVGEKKEVPF IFNQVTEMVL EMSLEVCSCP DLRFSMALCD QEKTFRQQRK DATA SEQUENCE EHIRESMKKL LGPKNSEGLH SARDVPVVAI LGSGGGFRAM VGFSGVMKAL DATA SEQUENCE YESGILDCAT YVAGLSGSTW YMSTLYSHPD FPEKGPEEIN EELMKNVSHN DATA SEQUENCE PLLLLTPQKV KRYVESLWKK KSSGQPVTFT DIFGMLIGET LIHNRMNTTL DATA SEQUENCE SSLKEKVNTA QCPLPLFTCL HVKPDVSELM FADWVEFSPY EIGMAKYGTF DATA SEQUENCE MAPDLFGSKF FMGTVVKKYE ENPLHFLMGV WGSAFSILFN RVLXXXXXXX DATA SEQUENCE XXSTMEEELE NITTKHIVSN XXXXXXXXXX XXXXXXXXXX XXXXXXXNQA DATA SEQUENCE SWIHRMIMAL VSDSALFNTR EGRAGKVHNF MLGLNLXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXDVKS KKIHVVDSGL TFNLPYPLIL DATA SEQUENCE RPQRGVDLII SFDFSARPSD SSPPFKELLL AEKWAKMNKL PFPKIDPYVF DATA SEQUENCE DREGLKECYV FKPKNPDMEK DCPTIIHFVL ANINFRKYKA PGVPRETEEE DATA SEQUENCE KEIADFDIFD DPESPFSTFN FQYPNQAFKR LHDLMHFNTL NNIDVIKEAM DATA SEQUENCE VESIEYRRQ 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 13 E HA 0.000 nan 4.350 nan 0.000 0.291 13 E C 0.000 176.505 176.600 -0.158 0.000 1.382 13 E CA 0.000 56.337 56.400 -0.104 0.000 0.976 13 E CB 0.000 29.665 29.700 -0.059 0.000 0.812 14 H N -0.256 118.690 119.070 -0.206 0.000 2.272 14 H HA 0.115 4.671 4.556 0.001 0.000 0.320 14 H C 1.663 176.827 175.328 -0.273 0.000 1.072 14 H CA 3.489 59.363 56.048 -0.289 0.000 1.458 14 H CB 0.747 30.201 29.762 -0.514 0.000 1.456 14 H HN 0.688 nan 8.280 nan 0.000 0.551 15 Q N -2.932 116.810 119.800 -0.097 0.000 6.121 15 Q HA -0.050 4.290 4.340 0.001 0.000 0.304 15 Q C -0.570 175.435 176.000 0.008 0.000 0.845 15 Q CA 0.332 56.104 55.803 -0.052 0.000 0.709 15 Q CB 0.397 29.133 28.738 -0.003 0.000 0.706 15 Q HN 0.211 nan 8.270 nan 0.000 0.705 16 Y N 2.480 122.815 120.300 0.059 0.000 2.983 16 Y HA -0.033 4.517 4.550 0.001 0.000 0.185 16 Y C -0.476 175.345 175.900 -0.132 0.000 1.476 16 Y CA 0.644 58.720 58.100 -0.040 0.000 0.866 16 Y CB -1.881 36.536 38.460 -0.072 0.000 1.331 16 Y HN 0.543 nan 8.280 nan 0.000 0.403 17 S N -0.798 114.926 115.700 0.041 0.000 2.607 17 S HA 0.849 5.319 4.470 0.001 0.000 0.303 17 S C -0.650 173.997 174.600 0.079 0.000 1.086 17 S CA -1.055 57.129 58.200 -0.026 0.000 0.995 17 S CB 2.391 65.605 63.200 0.024 0.000 1.084 17 S HN 0.444 nan 8.310 nan 0.000 0.507 18 H N 0.064 119.224 119.070 0.150 0.000 2.573 18 H HA 0.522 5.079 4.556 0.000 0.000 0.351 18 H C -0.493 174.955 175.328 0.200 0.000 1.163 18 H CA -1.008 55.135 56.048 0.157 0.000 1.205 18 H CB 1.602 31.442 29.762 0.131 0.000 1.605 18 H HN 0.617 nan 8.280 nan 0.000 0.525 19 K N 3.210 123.810 120.400 0.333 0.000 2.354 19 K HA 0.124 4.444 4.320 0.001 0.000 0.257 19 K C -1.402 175.404 176.600 0.343 0.000 1.062 19 K CA -0.563 55.894 56.287 0.283 0.000 0.971 19 K CB 0.280 32.895 32.500 0.191 0.000 1.305 19 K HN 0.312 nan 8.250 nan 0.000 0.449 20 F N 4.318 124.405 119.950 0.228 0.000 2.368 20 F HA 0.281 4.808 4.527 0.001 0.000 0.362 20 F C -0.539 175.447 175.800 0.310 0.000 1.137 20 F CA -0.261 57.874 58.000 0.224 0.000 1.161 20 F CB 0.376 39.485 39.000 0.181 0.000 1.265 20 F HN 0.283 nan 8.300 nan 0.000 0.530 21 T N 5.294 119.948 114.554 0.166 0.000 2.913 21 T HA 0.627 4.977 4.350 0.001 0.000 0.287 21 T C -0.730 173.890 174.700 -0.133 0.000 1.008 21 T CA -0.457 61.645 62.100 0.003 0.000 1.067 21 T CB 1.665 70.576 68.868 0.073 0.000 0.996 21 T HN 0.336 nan 8.240 nan 0.000 0.513 22 V N 2.693 122.581 119.914 -0.043 0.000 2.668 22 V HA 0.406 4.527 4.120 0.001 0.000 0.304 22 V C -0.710 175.475 176.094 0.152 0.000 1.071 22 V CA -0.784 61.542 62.300 0.043 0.000 0.894 22 V CB 2.165 34.016 31.823 0.047 0.000 1.008 22 V HN 0.699 nan 8.190 nan 0.000 0.425 23 V N 5.394 125.392 119.914 0.141 0.000 2.384 23 V HA 0.440 4.560 4.120 0.001 0.000 0.287 23 V C -0.159 176.050 176.094 0.192 0.000 1.020 23 V CA -0.667 61.715 62.300 0.137 0.000 0.850 23 V CB 2.000 33.879 31.823 0.093 0.000 0.987 23 V HN 0.594 nan 8.190 nan 0.000 0.436 24 V N 7.066 127.129 119.914 0.247 0.000 2.304 24 V HA 0.267 4.388 4.120 0.001 0.000 0.262 24 V C 0.836 177.149 176.094 0.364 0.000 1.061 24 V CA 0.015 62.470 62.300 0.259 0.000 0.872 24 V CB 0.645 32.560 31.823 0.153 0.000 1.077 24 V HN 0.737 nan 8.190 nan 0.000 0.480 25 L N 4.278 125.703 121.223 0.336 0.000 1.995 25 L HA 0.238 4.578 4.340 0.001 0.000 0.206 25 L C 1.279 178.395 176.870 0.410 0.000 1.098 25 L CA 1.121 56.147 54.840 0.311 0.000 0.762 25 L CB -0.127 42.053 42.059 0.201 0.000 0.900 25 L HN 0.711 nan 8.230 nan 0.000 0.441 26 R N -0.108 120.614 120.500 0.370 0.000 2.756 26 R HA 0.757 5.097 4.340 0.001 0.000 0.273 26 R C -1.931 174.523 176.300 0.257 0.000 1.030 26 R CA -0.318 55.914 56.100 0.220 0.000 0.887 26 R CB 1.431 31.736 30.300 0.008 0.000 1.274 26 R HN 0.042 nan 8.270 nan 0.000 0.461 27 A N -0.004 122.856 122.820 0.067 0.000 2.539 27 A HA 0.741 5.061 4.320 0.001 0.000 0.296 27 A C -1.035 176.571 177.584 0.036 0.000 1.073 27 A CA -0.265 51.862 52.037 0.149 0.000 0.700 27 A CB 1.879 21.060 19.000 0.302 0.000 1.296 27 A HN 1.013 nan 8.150 nan 0.000 0.405 28 T N -2.049 112.549 114.554 0.073 0.000 2.893 28 T HA 0.750 5.100 4.350 0.001 0.000 0.293 28 T C -0.024 174.711 174.700 0.059 0.000 1.027 28 T CA 0.374 62.495 62.100 0.036 0.000 0.988 28 T CB 1.282 70.165 68.868 0.026 0.000 1.043 28 T HN 2.476 nan 8.240 nan 0.000 0.461 29 K N 0.093 120.516 120.400 0.037 0.000 3.203 29 K HA -0.004 4.317 4.320 0.001 0.000 0.270 29 K C -0.031 176.608 176.600 0.065 0.000 1.132 29 K CA 0.635 56.950 56.287 0.047 0.000 0.794 29 K CB -2.927 29.605 32.500 0.054 0.000 1.270 29 K HN 1.245 nan 8.250 nan 0.000 0.491 30 V N 1.616 121.563 119.914 0.056 0.000 2.415 30 V HA 0.612 4.732 4.120 0.001 0.000 0.267 30 V C 0.907 177.028 176.094 0.046 0.000 1.042 30 V CA 0.571 62.910 62.300 0.065 0.000 1.000 30 V CB 1.118 32.980 31.823 0.064 0.000 1.015 30 V HN 0.832 nan 8.190 nan 0.000 0.478 31 T N 4.110 118.693 114.554 0.049 0.000 2.883 31 T HA 0.482 4.833 4.350 0.001 0.000 0.301 31 T C 0.207 174.928 174.700 0.036 0.000 1.158 31 T CA -0.681 61.443 62.100 0.040 0.000 1.007 31 T CB 1.883 70.778 68.868 0.045 0.000 1.186 31 T HN 0.663 nan 8.240 nan 0.000 0.499 32 K N 1.061 121.481 120.400 0.033 0.000 2.438 32 K HA 0.494 4.814 4.320 0.001 0.000 0.206 32 K C 0.454 177.088 176.600 0.056 0.000 1.081 32 K CA 0.021 56.328 56.287 0.034 0.000 1.053 32 K CB 1.064 33.575 32.500 0.020 0.000 0.908 32 K HN 1.012 nan 8.250 nan 0.000 0.556 33 G N 0.492 109.327 108.800 0.059 0.000 2.515 33 G HA2 -0.061 3.899 3.960 0.001 0.000 0.686 33 G HA3 -0.061 3.899 3.960 0.001 0.000 0.686 33 G C 0.378 175.328 174.900 0.083 0.000 1.274 33 G CA -0.553 44.593 45.100 0.077 0.000 0.874 33 G HN 0.007 nan 8.290 nan 0.000 0.631 34 A N -0.188 122.689 122.820 0.095 0.000 1.908 34 A HA 0.180 4.500 4.320 0.001 0.000 0.218 34 A C 2.191 179.854 177.584 0.133 0.000 1.181 34 A CA 2.780 54.875 52.037 0.096 0.000 0.627 34 A CB -0.434 18.622 19.000 0.094 0.000 0.818 34 A HN 1.593 nan 8.150 nan 0.000 0.445 35 F N 0.827 120.785 119.950 0.013 0.000 2.098 35 F HA 0.080 4.607 4.527 0.001 0.000 0.294 35 F C 2.430 178.238 175.800 0.013 0.000 1.107 35 F CA 1.414 59.421 58.000 0.012 0.000 1.234 35 F CB -0.924 38.083 39.000 0.011 0.000 1.002 35 F HN 0.208 nan 8.300 nan 0.000 0.472 36 G N -0.063 108.776 108.800 0.065 0.000 2.469 36 G HA2 -0.314 3.646 3.960 0.001 0.000 0.219 36 G HA3 -0.314 3.646 3.960 0.001 0.000 0.219 36 G C 1.335 176.180 174.900 -0.093 0.000 1.150 36 G CA 1.300 46.374 45.100 -0.043 0.000 0.763 36 G HN 0.360 nan 8.290 nan 0.000 0.561 37 D N 0.113 120.488 120.400 -0.042 0.000 2.144 37 D HA -0.032 4.608 4.640 0.001 0.000 0.200 37 D C 2.539 178.797 176.300 -0.071 0.000 0.978 37 D CA 0.598 54.575 54.000 -0.037 0.000 0.833 37 D CB -0.293 40.505 40.800 -0.003 0.000 0.961 37 D HN 0.303 nan 8.370 nan 0.000 0.470 38 M N -0.007 119.529 119.600 -0.107 0.000 2.117 38 M HA -0.099 4.381 4.480 0.001 0.000 0.262 38 M C 2.113 178.311 176.300 -0.171 0.000 1.065 38 M CA 1.026 56.252 55.300 -0.122 0.000 1.114 38 M CB -0.042 32.482 32.600 -0.126 0.000 1.361 38 M HN 0.009 nan 8.290 nan 0.000 0.408 39 L N -0.909 120.145 121.223 -0.281 0.000 2.093 39 L HA -0.093 4.247 4.340 0.001 0.000 0.208 39 L C 0.147 176.946 176.870 -0.118 0.000 1.085 39 L CA 0.709 55.401 54.840 -0.246 0.000 0.755 39 L CB -0.246 41.606 42.059 -0.346 0.000 0.904 39 L HN 0.255 nan 8.230 nan 0.000 0.435 40 D N -1.336 119.010 120.400 -0.090 0.000 2.419 40 D HA 0.091 4.731 4.640 0.001 0.000 0.219 40 D C -0.670 175.617 176.300 -0.021 0.000 1.349 40 D CA -0.283 53.696 54.000 -0.035 0.000 0.964 40 D CB 1.083 41.873 40.800 -0.018 0.000 1.463 40 D HN -0.238 nan 8.370 nan 0.000 0.573 41 T N 4.913 119.463 114.554 -0.007 0.000 2.829 41 T HA 0.235 4.585 4.350 0.001 0.000 0.293 41 T C -2.257 172.454 174.700 0.018 0.000 0.970 41 T CA -0.538 61.564 62.100 0.004 0.000 1.168 41 T CB 0.830 69.704 68.868 0.011 0.000 0.911 41 T HN 0.277 nan 8.240 nan 0.000 0.535 42 P HA -0.019 nan 4.420 nan 0.000 0.263 42 P C -0.416 176.928 177.300 0.073 0.000 1.168 42 P CA 0.275 63.397 63.100 0.036 0.000 0.759 42 P CB 0.327 32.049 31.700 0.036 0.000 0.782 43 D N 4.381 124.835 120.400 0.090 0.000 2.517 43 D HA 0.204 4.845 4.640 0.001 0.000 0.301 43 D C -2.447 174.002 176.300 0.249 0.000 1.202 43 D CA -1.305 52.796 54.000 0.167 0.000 0.910 43 D CB 0.400 41.247 40.800 0.078 0.000 1.021 43 D HN 0.155 nan 8.370 nan 0.000 0.499 44 P HA 0.073 nan 4.420 nan 0.000 0.267 44 P C -0.762 176.936 177.300 0.664 0.000 1.200 44 P CA 0.092 63.419 63.100 0.378 0.000 0.772 44 P CB 0.161 32.094 31.700 0.389 0.000 0.855 45 Y N -1.016 119.516 120.300 0.386 0.000 2.573 45 Y HA 0.607 5.157 4.550 0.001 0.000 0.328 45 Y C -1.903 173.881 175.900 -0.194 0.000 1.170 45 Y CA -1.397 56.789 58.100 0.144 0.000 1.078 45 Y CB 0.415 38.923 38.460 0.081 0.000 1.341 45 Y HN 0.084 nan 8.280 nan 0.000 0.459 46 V N 2.760 122.407 119.914 -0.445 0.000 2.630 46 V HA 0.542 4.662 4.120 0.001 0.000 0.305 46 V C -0.647 175.285 176.094 -0.269 0.000 1.046 46 V CA -0.660 61.353 62.300 -0.478 0.000 0.934 46 V CB 1.684 33.099 31.823 -0.680 0.000 1.003 46 V HN 0.844 nan 8.190 nan 0.000 0.451 47 E N 3.066 123.125 120.200 -0.235 0.000 2.234 47 E HA 0.661 5.011 4.350 0.001 0.000 0.266 47 E C -1.731 174.777 176.600 -0.154 0.000 0.877 47 E CA -0.595 55.712 56.400 -0.154 0.000 0.758 47 E CB 1.670 31.343 29.700 -0.045 0.000 1.170 47 E HN 0.607 nan 8.360 nan 0.000 0.415 48 L N 4.202 125.338 121.223 -0.145 0.000 2.334 48 L HA 0.699 5.040 4.340 0.001 0.000 0.273 48 L C -0.852 176.107 176.870 0.148 0.000 1.013 48 L CA -1.069 53.748 54.840 -0.039 0.000 0.816 48 L CB 1.303 43.332 42.059 -0.049 0.000 1.278 48 L HN 0.562 nan 8.230 nan 0.000 0.431 49 F N 3.093 123.001 119.950 -0.069 0.000 2.615 49 F HA 0.625 5.153 4.527 0.000 0.000 0.312 49 F C -1.435 174.312 175.800 -0.089 0.000 1.119 49 F CA -0.623 57.353 58.000 -0.040 0.000 0.979 49 F CB 1.527 40.506 39.000 -0.036 0.000 1.266 49 F HN 0.190 nan 8.300 nan 0.000 0.444 50 I N 5.156 125.202 120.570 -0.873 0.000 2.493 50 I HA 0.161 4.331 4.170 0.001 0.000 0.279 50 I C 0.688 176.254 176.117 -0.918 0.000 1.045 50 I CA -0.446 60.445 61.300 -0.681 0.000 1.106 50 I CB 2.037 39.761 38.000 -0.460 0.000 1.216 50 I HN 0.709 nan 8.210 nan 0.000 0.459 51 S N 1.984 117.218 115.700 -0.777 0.000 2.465 51 S HA -0.153 4.317 4.470 0.001 0.000 0.241 51 S C 1.396 175.841 174.600 -0.258 0.000 1.000 51 S CA 1.428 59.351 58.200 -0.461 0.000 0.964 51 S CB -0.620 62.536 63.200 -0.073 0.000 0.763 51 S HN 0.765 nan 8.310 nan 0.000 0.512 52 T N -1.321 113.089 114.554 -0.239 0.000 3.287 52 T HA 0.474 4.825 4.350 0.001 0.000 0.253 52 T C -0.007 174.581 174.700 -0.187 0.000 0.975 52 T CA -0.452 61.564 62.100 -0.140 0.000 0.912 52 T CB -0.181 68.644 68.868 -0.070 0.000 1.071 52 T HN 0.212 nan 8.240 nan 0.000 0.578 53 T N 3.559 117.921 114.554 -0.321 0.000 3.159 53 T HA 0.405 4.756 4.350 0.001 0.000 0.343 53 T C -3.167 171.251 174.700 -0.470 0.000 1.364 53 T CA -1.087 60.665 62.100 -0.580 0.000 1.102 53 T CB 2.230 70.847 68.868 -0.419 0.000 1.263 53 T HN -0.025 nan 8.240 nan 0.000 0.477 54 P HA 0.040 nan 4.420 nan 0.000 0.258 54 P C -0.449 176.753 177.300 -0.164 0.000 1.172 54 P CA 0.308 63.241 63.100 -0.277 0.000 0.762 54 P CB 0.105 31.664 31.700 -0.235 0.000 0.764 55 D N 2.175 122.537 120.400 -0.062 0.000 3.060 55 D HA -0.142 4.499 4.640 0.001 0.000 0.209 55 D C 0.919 177.230 176.300 0.019 0.000 1.232 55 D CA 1.276 55.285 54.000 0.015 0.000 0.841 55 D CB -1.146 39.655 40.800 0.002 0.000 0.863 55 D HN 0.544 nan 8.370 nan 0.000 0.389 56 S N 0.019 115.752 115.700 0.056 0.000 2.517 56 S HA -0.043 4.428 4.470 0.001 0.000 0.214 56 S C 0.996 175.764 174.600 0.280 0.000 0.991 56 S CA -0.339 57.957 58.200 0.160 0.000 0.906 56 S CB 0.627 63.868 63.200 0.068 0.000 0.789 56 S HN 0.416 nan 8.310 nan 0.000 0.513 57 R N 2.492 123.198 120.500 0.343 0.000 2.488 57 R HA 0.133 4.473 4.340 0.001 0.000 0.317 57 R C -0.790 175.578 176.300 0.113 0.000 0.941 57 R CA 0.691 56.987 56.100 0.327 0.000 1.076 57 R CB 0.067 30.512 30.300 0.242 0.000 0.917 57 R HN 0.311 nan 8.270 nan 0.000 0.407 58 K N 4.015 124.433 120.400 0.030 0.000 2.477 58 K HA 0.454 4.774 4.320 0.001 0.000 0.255 58 K C -1.212 175.214 176.600 -0.289 0.000 0.952 58 K CA -1.131 55.069 56.287 -0.145 0.000 0.826 58 K CB 2.403 34.748 32.500 -0.258 0.000 1.331 58 K HN 0.654 nan 8.250 nan 0.000 0.437 59 R N -1.007 119.328 120.500 -0.275 0.000 2.651 59 R HA 0.393 4.733 4.340 0.001 0.000 0.278 59 R C -0.425 175.785 176.300 -0.150 0.000 1.010 59 R CA -0.914 55.043 56.100 -0.239 0.000 0.896 59 R CB 1.257 31.510 30.300 -0.079 0.000 1.211 59 R HN 0.684 nan 8.270 nan 0.000 0.456 60 T N -0.331 114.123 114.554 -0.167 0.000 2.726 60 T HA 0.342 4.692 4.350 0.001 0.000 0.294 60 T C 0.274 174.938 174.700 -0.061 0.000 1.013 60 T CA -0.830 61.244 62.100 -0.043 0.000 0.996 60 T CB 0.597 69.164 68.868 -0.502 0.000 1.016 60 T HN 0.428 nan 8.240 nan 0.000 0.529 61 R N 1.255 121.734 120.500 -0.035 0.000 2.577 61 R HA 0.265 4.606 4.340 0.001 0.000 0.269 61 R C 0.756 177.008 176.300 -0.079 0.000 1.084 61 R CA -0.505 55.514 56.100 -0.135 0.000 1.163 61 R CB 0.172 30.335 30.300 -0.229 0.000 1.100 61 R HN 0.992 nan 8.270 nan 0.000 0.547 62 H N -0.567 118.418 119.070 -0.142 0.000 2.508 62 H HA 0.398 4.954 4.556 0.000 0.000 0.344 62 H C -1.002 174.208 175.328 -0.196 0.000 1.192 62 H CA -0.419 55.642 56.048 0.022 0.000 1.290 62 H CB 0.968 30.774 29.762 0.075 0.000 1.571 62 H HN 0.201 nan 8.280 nan 0.000 0.555 63 F N 1.226 121.344 119.950 0.281 0.000 2.445 63 F HA 0.187 4.714 4.527 0.000 0.000 0.348 63 F C 0.201 176.108 175.800 0.179 0.000 1.125 63 F CA -1.053 57.006 58.000 0.098 0.000 0.983 63 F CB 1.081 40.064 39.000 -0.028 0.000 1.198 63 F HN 0.510 nan 8.300 nan 0.000 0.436 64 N N 5.150 124.076 118.700 0.377 0.000 2.411 64 N HA -0.090 4.651 4.740 0.001 0.000 0.265 64 N C 0.048 175.651 175.510 0.155 0.000 1.266 64 N CA 0.534 53.734 53.050 0.251 0.000 0.889 64 N CB 0.150 38.750 38.487 0.190 0.000 1.069 64 N HN 0.559 nan 8.380 nan 0.000 0.476 65 N N 1.160 119.929 118.700 0.114 0.000 2.705 65 N HA -0.217 4.524 4.740 0.001 0.000 0.255 65 N C -1.010 174.526 175.510 0.044 0.000 1.008 65 N CA 0.979 54.068 53.050 0.065 0.000 0.742 65 N CB -0.657 37.857 38.487 0.046 0.000 0.906 65 N HN 0.627 nan 8.380 nan 0.000 0.541 66 D N 0.599 121.033 120.400 0.056 0.000 2.502 66 D HA 0.365 5.005 4.640 0.001 0.000 0.249 66 D C 1.313 177.606 176.300 -0.012 0.000 1.092 66 D CA -0.614 53.380 54.000 -0.010 0.000 0.839 66 D CB 1.169 41.940 40.800 -0.048 0.000 1.264 66 D HN 0.281 nan 8.370 nan 0.000 0.511 67 I N 0.159 120.707 120.570 -0.037 0.000 3.941 67 I HA 0.317 4.487 4.170 0.001 0.000 0.321 67 I C -0.019 176.068 176.117 -0.049 0.000 1.284 67 I CA -0.208 61.079 61.300 -0.021 0.000 1.226 67 I CB 0.287 38.282 38.000 -0.009 0.000 1.045 67 I HN -0.012 nan 8.210 nan 0.000 0.420 68 N N 3.552 122.189 118.700 -0.105 0.000 2.791 68 N HA 0.354 5.095 4.740 0.001 0.000 0.265 68 N C -2.731 172.623 175.510 -0.260 0.000 1.580 68 N CA -0.837 52.130 53.050 -0.138 0.000 0.809 68 N CB 1.241 39.665 38.487 -0.105 0.000 1.178 68 N HN 0.216 nan 8.380 nan 0.000 0.499 69 P HA 0.215 nan 4.420 nan 0.000 0.284 69 P C -0.334 176.553 177.300 -0.688 0.000 1.253 69 P CA -0.318 62.392 63.100 -0.650 0.000 0.800 69 P CB 1.966 33.236 31.700 -0.716 0.000 0.961 70 V N 4.952 124.497 119.914 -0.614 0.000 2.305 70 V HA 0.130 4.251 4.120 0.001 0.000 0.275 70 V C 0.891 176.986 176.094 0.000 0.000 1.020 70 V CA -0.356 61.784 62.300 -0.267 0.000 0.811 70 V CB 0.619 32.332 31.823 -0.182 0.000 1.031 70 V HN 0.684 nan 8.190 nan 0.000 0.439 71 W N 1.912 123.396 121.300 0.306 0.000 2.463 71 W HA 0.049 4.710 4.660 0.000 0.000 0.316 71 W C 1.193 177.819 176.519 0.179 0.000 1.170 71 W CA 0.470 58.007 57.345 0.319 0.000 1.355 71 W CB -0.309 29.303 29.460 0.253 0.000 1.159 71 W HN 0.720 nan 8.180 nan 0.000 0.487 72 N N 1.300 120.247 118.700 0.411 0.000 2.708 72 N HA -0.178 4.562 4.740 0.001 0.000 0.255 72 N C -0.952 174.644 175.510 0.144 0.000 1.046 72 N CA 0.215 53.398 53.050 0.221 0.000 0.715 72 N CB -1.049 37.526 38.487 0.146 0.000 0.895 72 N HN 0.268 nan 8.380 nan 0.000 0.545 73 E N 0.295 120.575 120.200 0.133 0.000 2.238 73 E HA 0.376 4.726 4.350 0.001 0.000 0.267 73 E C -0.622 175.787 176.600 -0.318 0.000 0.887 73 E CA -0.626 55.708 56.400 -0.109 0.000 0.769 73 E CB 1.734 31.390 29.700 -0.073 0.000 1.187 73 E HN 0.046 nan 8.360 nan 0.000 0.416 74 T N 2.357 116.577 114.554 -0.556 0.000 2.794 74 T HA 0.523 4.874 4.350 0.001 0.000 0.280 74 T C -0.821 173.355 174.700 -0.874 0.000 0.987 74 T CA -0.520 61.287 62.100 -0.488 0.000 0.993 74 T CB 0.281 69.005 68.868 -0.240 0.000 0.939 74 T HN 0.202 nan 8.240 nan 0.000 0.449 75 F N 1.344 121.229 119.950 -0.109 0.000 2.529 75 F HA 0.446 4.974 4.527 0.000 0.000 0.320 75 F C 0.592 176.205 175.800 -0.312 0.000 1.118 75 F CA -1.020 56.835 58.000 -0.241 0.000 0.915 75 F CB 1.761 40.636 39.000 -0.209 0.000 1.161 75 F HN 0.446 nan 8.300 nan 0.000 0.445 76 E N 2.720 122.729 120.200 -0.318 0.000 2.207 76 E HA 0.653 5.004 4.350 0.001 0.000 0.270 76 E C -1.564 174.736 176.600 -0.500 0.000 0.927 76 E CA -0.821 55.434 56.400 -0.242 0.000 0.799 76 E CB 2.488 32.111 29.700 -0.128 0.000 1.172 76 E HN 0.343 nan 8.360 nan 0.000 0.404 77 F N 0.726 120.674 119.950 -0.003 0.000 2.601 77 F HA 0.400 4.927 4.527 0.001 0.000 0.309 77 F C -0.553 175.329 175.800 0.136 0.000 1.089 77 F CA -0.984 57.042 58.000 0.044 0.000 0.940 77 F CB 1.083 40.111 39.000 0.048 0.000 1.273 77 F HN 0.232 nan 8.300 nan 0.000 0.450 78 I N 3.816 124.587 120.570 0.335 0.000 2.330 78 I HA 0.408 4.579 4.170 0.001 0.000 0.289 78 I C -0.651 175.732 176.117 0.444 0.000 1.001 78 I CA -0.469 61.048 61.300 0.361 0.000 1.193 78 I CB 0.923 39.141 38.000 0.363 0.000 1.345 78 I HN 0.344 nan 8.210 nan 0.000 0.461 79 L N 4.837 126.291 121.223 0.384 0.000 2.334 79 L HA 0.524 4.864 4.340 0.001 0.000 0.276 79 L C -0.393 176.618 176.870 0.235 0.000 1.014 79 L CA -1.005 54.036 54.840 0.336 0.000 0.815 79 L CB 1.771 43.978 42.059 0.246 0.000 1.268 79 L HN 0.429 nan 8.230 nan 0.000 0.428 80 D N 3.929 124.471 120.400 0.236 0.000 2.280 80 D HA 0.187 4.827 4.640 0.001 0.000 0.243 80 D C -1.580 174.725 176.300 0.008 0.000 1.129 80 D CA -2.198 51.849 54.000 0.078 0.000 0.848 80 D CB 1.679 42.547 40.800 0.114 0.000 1.107 80 D HN 0.198 nan 8.370 nan 0.000 0.471 81 P HA -0.150 nan 4.420 nan 0.000 0.218 81 P C 0.207 177.480 177.300 -0.046 0.000 1.148 81 P CA 0.998 64.037 63.100 -0.101 0.000 0.822 81 P CB 0.110 31.684 31.700 -0.209 0.000 0.784 82 N N -0.590 118.091 118.700 -0.033 0.000 2.501 82 N HA -0.003 4.737 4.740 0.001 0.000 0.195 82 N C 0.489 175.994 175.510 -0.007 0.000 1.213 82 N CA -0.045 52.993 53.050 -0.020 0.000 0.864 82 N CB -0.000 38.479 38.487 -0.013 0.000 0.999 82 N HN 0.293 nan 8.380 nan 0.000 0.454 83 Q N 0.116 119.914 119.800 -0.003 0.000 2.387 83 Q HA 0.242 4.582 4.340 0.001 0.000 0.273 83 Q C -0.474 175.510 176.000 -0.027 0.000 1.089 83 Q CA -0.263 55.539 55.803 -0.001 0.000 0.824 83 Q CB 1.320 30.075 28.738 0.028 0.000 1.367 83 Q HN 0.253 nan 8.270 nan 0.000 0.443 84 E N 1.590 121.768 120.200 -0.036 0.000 1.892 84 E HA 0.183 4.533 4.350 0.001 0.000 0.271 84 E C -0.588 175.963 176.600 -0.082 0.000 1.146 84 E CA -0.409 55.956 56.400 -0.059 0.000 1.096 84 E CB -0.992 28.680 29.700 -0.047 0.000 1.155 84 E HN 0.368 nan 8.360 nan 0.000 0.458 85 N N 0.805 119.442 118.700 -0.104 0.000 2.400 85 N HA 0.282 5.023 4.740 0.001 0.000 0.267 85 N C -0.274 175.116 175.510 -0.200 0.000 1.208 85 N CA -0.074 52.895 53.050 -0.136 0.000 0.951 85 N CB 1.331 39.747 38.487 -0.119 0.000 1.227 85 N HN 0.492 nan 8.380 nan 0.000 0.488 86 V N 0.524 120.341 119.914 -0.162 0.000 2.370 86 V HA 0.443 4.563 4.120 0.001 0.000 0.283 86 V C -0.045 175.981 176.094 -0.113 0.000 1.023 86 V CA -1.217 60.995 62.300 -0.147 0.000 0.857 86 V CB 1.172 32.947 31.823 -0.080 0.000 0.985 86 V HN 0.382 nan 8.190 nan 0.000 0.443 87 L N 4.561 125.745 121.223 -0.065 0.000 2.295 87 L HA 0.476 4.816 4.340 0.001 0.000 0.288 87 L C 0.334 177.237 176.870 0.055 0.000 1.079 87 L CA 0.431 55.282 54.840 0.018 0.000 0.830 87 L CB 0.183 42.397 42.059 0.259 0.000 1.200 87 L HN 0.802 nan 8.230 nan 0.000 0.438 88 E N 6.144 126.366 120.200 0.038 0.000 2.229 88 E HA 0.370 4.720 4.350 0.001 0.000 0.283 88 E C -0.759 175.853 176.600 0.021 0.000 1.030 88 E CA -0.120 56.319 56.400 0.066 0.000 0.836 88 E CB 1.229 31.016 29.700 0.145 0.000 1.068 88 E HN 0.574 nan 8.360 nan 0.000 0.401 89 I N 2.175 122.723 120.570 -0.037 0.000 2.412 89 I HA 0.328 4.498 4.170 0.001 0.000 0.296 89 I C -0.140 175.927 176.117 -0.085 0.000 0.987 89 I CA -0.560 60.681 61.300 -0.099 0.000 1.180 89 I CB 1.970 39.835 38.000 -0.225 0.000 1.340 89 I HN 0.345 nan 8.210 nan 0.000 0.455 90 T N 6.255 120.713 114.554 -0.161 0.000 3.011 90 T HA 0.342 4.692 4.350 0.001 0.000 0.303 90 T C -0.816 173.661 174.700 -0.372 0.000 0.997 90 T CA -0.391 61.562 62.100 -0.245 0.000 1.007 90 T CB 1.566 70.319 68.868 -0.192 0.000 1.017 90 T HN 0.226 nan 8.240 nan 0.000 0.443 91 L N 5.197 126.096 121.223 -0.539 0.000 2.290 91 L HA 0.634 4.975 4.340 0.001 0.000 0.284 91 L C -0.569 176.015 176.870 -0.478 0.000 1.078 91 L CA 0.109 54.641 54.840 -0.515 0.000 0.815 91 L CB 0.212 41.864 42.059 -0.678 0.000 1.162 91 L HN 0.573 nan 8.230 nan 0.000 0.435 92 M N 3.285 122.539 119.600 -0.578 0.000 2.662 92 M HA 0.351 4.832 4.480 0.001 0.000 0.310 92 M C -1.114 174.902 176.300 -0.473 0.000 1.204 92 M CA -0.701 54.199 55.300 -0.667 0.000 0.891 92 M CB 1.718 33.554 32.600 -1.273 0.000 1.732 92 M HN 0.500 nan 8.290 nan 0.000 0.467 93 D N 1.661 121.907 120.400 -0.257 0.000 2.461 93 D HA 0.559 5.199 4.640 0.001 0.000 0.240 93 D C -0.742 175.559 176.300 0.002 0.000 1.094 93 D CA -0.244 53.711 54.000 -0.075 0.000 0.868 93 D CB 1.091 41.860 40.800 -0.051 0.000 1.062 93 D HN 0.701 nan 8.370 nan 0.000 0.530 94 A N 4.290 127.179 122.820 0.115 0.000 2.524 94 A HA 0.351 4.671 4.320 0.001 0.000 0.250 94 A C 0.128 177.639 177.584 -0.122 0.000 1.078 94 A CA -0.081 51.985 52.037 0.048 0.000 0.761 94 A CB 0.085 18.978 19.000 -0.178 0.000 1.012 94 A HN 0.665 nan 8.150 nan 0.000 0.500 95 N N 0.344 118.972 118.700 -0.119 0.000 2.701 95 N HA 0.395 5.136 4.740 0.001 0.000 0.290 95 N C -0.056 175.345 175.510 -0.181 0.000 1.338 95 N CA -0.458 52.511 53.050 -0.136 0.000 0.799 95 N CB 0.521 38.995 38.487 -0.022 0.000 1.491 95 N HN 0.521 nan 8.380 nan 0.000 0.540 96 Y N -0.048 120.229 120.300 -0.039 0.000 2.420 96 Y HA -0.055 4.495 4.550 0.000 0.000 0.292 96 Y C 2.027 177.910 175.900 -0.030 0.000 1.119 96 Y CA 0.679 58.757 58.100 -0.037 0.000 1.229 96 Y CB 0.069 38.511 38.460 -0.029 0.000 1.026 96 Y HN 0.383 nan 8.280 nan 0.000 0.554 97 V N -2.798 117.189 119.914 0.121 0.000 2.635 97 V HA 0.199 4.320 4.120 0.001 0.000 0.233 97 V C 0.559 176.671 176.094 0.030 0.000 1.097 97 V CA 0.117 62.456 62.300 0.065 0.000 1.134 97 V CB 0.158 32.014 31.823 0.055 0.000 0.841 97 V HN 0.095 nan 8.190 nan 0.000 0.496 98 M N 1.771 121.384 119.600 0.021 0.000 2.165 98 M HA 0.457 4.938 4.480 0.001 0.000 0.283 98 M C -1.789 174.514 176.300 0.005 0.000 0.978 98 M CA -0.599 54.706 55.300 0.009 0.000 0.948 98 M CB 1.667 34.270 32.600 0.006 0.000 1.599 98 M HN 0.358 nan 8.290 nan 0.000 0.450 99 D N 3.625 124.032 120.400 0.012 0.000 2.472 99 D HA -0.010 4.630 4.640 0.001 0.000 0.237 99 D C -0.363 175.928 176.300 -0.015 0.000 1.141 99 D CA 0.693 54.708 54.000 0.025 0.000 0.875 99 D CB 0.778 41.650 40.800 0.120 0.000 1.192 99 D HN 0.552 nan 8.370 nan 0.000 0.450 100 E N 0.405 120.580 120.200 -0.042 0.000 2.175 100 E HA 0.218 4.568 4.350 0.001 0.000 0.278 100 E C -0.784 175.746 176.600 -0.117 0.000 0.969 100 E CA -0.642 55.721 56.400 -0.061 0.000 0.796 100 E CB 1.006 30.680 29.700 -0.044 0.000 1.104 100 E HN 0.247 nan 8.360 nan 0.000 0.395 101 T N 4.996 119.481 114.554 -0.114 0.000 2.729 101 T HA 0.225 4.575 4.350 0.001 0.000 0.296 101 T C 1.120 175.728 174.700 -0.154 0.000 0.928 101 T CA -0.392 61.611 62.100 -0.163 0.000 1.045 101 T CB 0.271 69.058 68.868 -0.135 0.000 0.902 101 T HN 0.573 nan 8.240 nan 0.000 0.500 102 L N 4.320 125.415 121.223 -0.213 0.000 2.162 102 L HA 0.390 4.730 4.340 0.001 0.000 0.205 102 L C 1.491 178.228 176.870 -0.221 0.000 1.086 102 L CA 0.230 54.958 54.840 -0.187 0.000 0.778 102 L CB -0.232 41.707 42.059 -0.199 0.000 0.928 102 L HN 0.776 nan 8.230 nan 0.000 0.446 103 G N -1.099 107.455 108.800 -0.410 0.000 2.755 103 G HA2 0.437 4.397 3.960 0.001 0.000 0.297 103 G HA3 0.437 4.397 3.960 0.001 0.000 0.297 103 G C -1.305 173.390 174.900 -0.343 0.000 1.441 103 G CA -0.333 44.535 45.100 -0.386 0.000 0.964 103 G HN -0.269 nan 8.290 nan 0.000 0.540 104 T N 0.662 115.264 114.554 0.080 0.000 2.794 104 T HA 0.753 5.104 4.350 0.001 0.000 0.280 104 T C 0.035 174.941 174.700 0.344 0.000 0.987 104 T CA 0.095 62.273 62.100 0.132 0.000 0.993 104 T CB 1.501 70.406 68.868 0.063 0.000 0.939 104 T HN 1.234 nan 8.240 nan 0.000 0.449 105 A N 2.742 125.711 122.820 0.248 0.000 2.393 105 A HA 0.769 5.089 4.320 0.001 0.000 0.306 105 A C -0.033 177.567 177.584 0.026 0.000 1.050 105 A CA -0.672 51.437 52.037 0.120 0.000 0.724 105 A CB 1.602 20.544 19.000 -0.096 0.000 1.248 105 A HN 0.665 nan 8.150 nan 0.000 0.424 106 T N 1.286 115.908 114.554 0.114 0.000 2.925 106 T HA 0.703 5.053 4.350 0.001 0.000 0.285 106 T C -1.542 173.347 174.700 0.314 0.000 1.021 106 T CA 0.077 62.266 62.100 0.149 0.000 1.042 106 T CB 0.588 69.529 68.868 0.123 0.000 1.037 106 T HN 0.786 nan 8.240 nan 0.000 0.481 107 F N 1.917 121.913 119.950 0.078 0.000 2.839 107 F HA 0.355 4.882 4.527 0.000 0.000 0.344 107 F C -0.570 175.245 175.800 0.024 0.000 1.242 107 F CA -0.707 57.367 58.000 0.122 0.000 1.091 107 F CB 0.948 40.078 39.000 0.217 0.000 1.374 107 F HN 0.412 nan 8.300 nan 0.000 0.553 108 T N 5.979 120.250 114.554 -0.473 0.000 2.794 108 T HA 0.271 4.622 4.350 0.001 0.000 0.296 108 T C 1.288 175.375 174.700 -1.022 0.000 0.949 108 T CA -0.337 61.426 62.100 -0.561 0.000 1.101 108 T CB 1.526 70.234 68.868 -0.267 0.000 0.905 108 T HN 0.468 nan 8.240 nan 0.000 0.516 109 V N 3.114 122.508 119.914 -0.868 0.000 2.667 109 V HA -0.122 3.999 4.120 0.001 0.000 0.252 109 V C 2.483 178.296 176.094 -0.469 0.000 1.065 109 V CA 1.387 63.170 62.300 -0.861 0.000 1.083 109 V CB -0.685 30.659 31.823 -0.799 0.000 0.692 109 V HN 0.911 nan 8.190 nan 0.000 0.468 110 S N 1.490 116.993 115.700 -0.329 0.000 2.374 110 S HA -0.229 4.242 4.470 0.001 0.000 0.227 110 S C 2.083 176.595 174.600 -0.147 0.000 1.037 110 S CA 1.750 59.840 58.200 -0.183 0.000 1.024 110 S CB -0.553 62.564 63.200 -0.138 0.000 0.861 110 S HN 0.819 nan 8.310 nan 0.000 0.456 111 S N 0.228 115.828 115.700 -0.167 0.000 2.584 111 S HA 0.093 4.564 4.470 0.001 0.000 0.240 111 S C 0.328 174.909 174.600 -0.031 0.000 0.975 111 S CA 0.232 58.389 58.200 -0.073 0.000 0.949 111 S CB -0.499 62.685 63.200 -0.027 0.000 0.761 111 S HN 0.519 nan 8.310 nan 0.000 0.536 112 M N 0.753 120.308 119.600 -0.075 0.000 2.716 112 M HA 0.664 5.144 4.480 0.001 0.000 0.307 112 M C -0.654 175.613 176.300 -0.055 0.000 1.223 112 M CA -0.363 54.921 55.300 -0.027 0.000 0.871 112 M CB 1.868 34.466 32.600 -0.005 0.000 1.739 112 M HN 0.130 nan 8.290 nan 0.000 0.475 113 K N 1.546 121.924 120.400 -0.036 0.000 2.328 113 K HA 0.717 5.037 4.320 0.001 0.000 0.246 113 K C -0.561 175.994 176.600 -0.075 0.000 0.955 113 K CA -0.411 55.844 56.287 -0.053 0.000 0.817 113 K CB 1.012 33.495 32.500 -0.029 0.000 1.208 113 K HN 0.958 nan 8.250 nan 0.000 0.432 114 V N -0.256 119.583 119.914 -0.125 0.000 2.752 114 V HA 0.434 4.554 4.120 0.001 0.000 0.306 114 V C 1.449 177.509 176.094 -0.058 0.000 1.099 114 V CA 1.051 63.258 62.300 -0.154 0.000 1.240 114 V CB -0.230 31.492 31.823 -0.168 0.000 0.887 114 V HN 2.353 nan 8.190 nan 0.000 0.499 115 G N 2.307 111.088 108.800 -0.031 0.000 2.304 115 G HA2 -0.331 3.629 3.960 0.001 0.000 0.252 115 G HA3 -0.331 3.629 3.960 0.001 0.000 0.252 115 G C 0.322 175.235 174.900 0.022 0.000 1.014 115 G CA 0.559 45.663 45.100 0.006 0.000 0.619 115 G HN 1.332 nan 8.290 nan 0.000 0.525 116 E N 1.049 121.260 120.200 0.017 0.000 2.415 116 E HA 0.387 4.737 4.350 0.001 0.000 0.260 116 E C 0.255 176.893 176.600 0.064 0.000 1.016 116 E CA 0.057 56.478 56.400 0.034 0.000 0.924 116 E CB 0.181 29.898 29.700 0.029 0.000 0.961 116 E HN 0.311 nan 8.360 nan 0.000 0.459 117 K N 3.645 124.083 120.400 0.063 0.000 2.682 117 K HA 0.225 4.545 4.320 0.001 0.000 0.189 117 K C -0.054 176.588 176.600 0.071 0.000 1.062 117 K CA -0.312 56.023 56.287 0.080 0.000 0.997 117 K CB 0.354 32.894 32.500 0.067 0.000 1.405 117 K HN 0.424 nan 8.250 nan 0.000 0.588 118 K N 1.396 121.845 120.400 0.081 0.000 2.731 118 K HA 0.283 4.603 4.320 0.001 0.000 0.284 118 K C -0.302 176.327 176.600 0.048 0.000 1.027 118 K CA -0.002 56.318 56.287 0.055 0.000 1.040 118 K CB 0.215 32.746 32.500 0.051 0.000 1.334 118 K HN 0.598 nan 8.250 nan 0.000 0.498 119 E N -0.130 120.077 120.200 0.012 0.000 2.640 119 E HA 0.341 4.691 4.350 0.001 0.000 0.360 119 E C -1.735 174.831 176.600 -0.057 0.000 1.014 119 E CA -0.379 56.023 56.400 0.003 0.000 0.757 119 E CB 1.182 30.894 29.700 0.019 0.000 1.565 119 E HN 0.324 nan 8.360 nan 0.000 0.381 120 V N 4.960 124.803 119.914 -0.118 0.000 2.583 120 V HA 0.450 4.570 4.120 0.001 0.000 0.287 120 V C -1.903 174.039 176.094 -0.254 0.000 1.051 120 V CA -1.124 61.014 62.300 -0.270 0.000 1.010 120 V CB 1.080 32.611 31.823 -0.487 0.000 0.988 120 V HN 0.561 nan 8.190 nan 0.000 0.478 121 P HA 0.541 nan 4.420 nan 0.000 0.301 121 P C -1.491 175.498 177.300 -0.517 0.000 1.337 121 P CA -0.511 62.435 63.100 -0.258 0.000 0.889 121 P CB 1.274 32.870 31.700 -0.173 0.000 1.050 122 F N 2.410 122.302 119.950 -0.096 0.000 2.520 122 F HA 0.471 4.998 4.527 0.001 0.000 0.322 122 F C 0.209 175.838 175.800 -0.285 0.000 1.103 122 F CA -0.826 57.037 58.000 -0.228 0.000 0.926 122 F CB 1.788 40.630 39.000 -0.263 0.000 1.154 122 F HN 0.067 nan 8.300 nan 0.000 0.453 123 I N 3.566 123.993 120.570 -0.238 0.000 2.436 123 I HA 0.374 4.544 4.170 0.001 0.000 0.289 123 I C -1.055 174.854 176.117 -0.347 0.000 1.010 123 I CA -0.610 60.574 61.300 -0.192 0.000 1.098 123 I CB 1.043 38.990 38.000 -0.088 0.000 1.266 123 I HN 0.299 nan 8.210 nan 0.000 0.434 124 F N 5.359 125.366 119.950 0.096 0.000 2.458 124 F HA 0.422 4.949 4.527 0.001 0.000 0.336 124 F C 0.909 176.741 175.800 0.054 0.000 1.114 124 F CA -0.696 57.348 58.000 0.072 0.000 0.987 124 F CB 1.153 40.190 39.000 0.061 0.000 1.130 124 F HN 0.529 nan 8.300 nan 0.000 0.458 125 N N 1.391 120.219 118.700 0.213 0.000 2.741 125 N HA -0.320 4.420 4.740 0.001 0.000 0.251 125 N C 0.660 176.225 175.510 0.092 0.000 1.112 125 N CA 1.136 54.267 53.050 0.134 0.000 0.750 125 N CB -1.516 37.049 38.487 0.130 0.000 1.119 125 N HN 1.003 nan 8.380 nan 0.000 0.561 126 Q N -2.798 117.046 119.800 0.073 0.000 2.481 126 Q HA -0.207 4.133 4.340 0.001 0.000 0.272 126 Q C 0.996 177.027 176.000 0.051 0.000 1.157 126 Q CA 2.165 57.995 55.803 0.045 0.000 0.935 126 Q CB -2.335 26.423 28.738 0.034 0.000 1.338 126 Q HN 0.603 nan 8.270 nan 0.000 0.494 127 V N -2.374 117.585 119.914 0.074 0.000 3.837 127 V HA 0.280 4.400 4.120 0.001 0.000 0.182 127 V C 1.248 177.394 176.094 0.086 0.000 1.356 127 V CA 0.850 63.192 62.300 0.070 0.000 1.260 127 V CB 0.818 32.683 31.823 0.071 0.000 1.287 127 V HN 0.855 nan 8.190 nan 0.000 0.572 128 T N 1.823 116.455 114.554 0.129 0.000 2.851 128 T HA 0.526 4.876 4.350 0.001 0.000 0.298 128 T C -0.292 174.520 174.700 0.186 0.000 0.977 128 T CA 0.817 63.012 62.100 0.159 0.000 1.126 128 T CB 0.648 69.634 68.868 0.197 0.000 0.916 128 T HN 0.654 nan 8.240 nan 0.000 0.529 129 E N 4.601 124.895 120.200 0.156 0.000 2.171 129 E HA 0.650 5.000 4.350 0.001 0.000 0.271 129 E C -0.676 176.049 176.600 0.208 0.000 0.916 129 E CA -0.859 55.630 56.400 0.149 0.000 0.774 129 E CB 1.662 31.413 29.700 0.085 0.000 1.128 129 E HN 0.877 nan 8.360 nan 0.000 0.403 130 M N 2.253 122.008 119.600 0.260 0.000 2.326 130 M HA 0.598 5.079 4.480 0.001 0.000 0.306 130 M C -1.787 174.685 176.300 0.288 0.000 1.054 130 M CA -0.843 54.654 55.300 0.329 0.000 0.922 130 M CB 2.015 34.888 32.600 0.454 0.000 1.632 130 M HN 0.364 nan 8.290 nan 0.000 0.436 131 V N 6.302 126.373 119.914 0.262 0.000 2.347 131 V HA 0.507 4.627 4.120 0.001 0.000 0.280 131 V C -0.463 175.766 176.094 0.226 0.000 1.021 131 V CA -0.534 61.889 62.300 0.206 0.000 0.847 131 V CB 1.407 33.315 31.823 0.142 0.000 0.990 131 V HN 0.793 nan 8.190 nan 0.000 0.444 132 L N 3.724 125.077 121.223 0.216 0.000 2.346 132 L HA 0.792 5.133 4.340 0.001 0.000 0.274 132 L C 0.305 177.256 176.870 0.134 0.000 1.007 132 L CA -0.511 54.443 54.840 0.189 0.000 0.818 132 L CB 2.025 44.205 42.059 0.202 0.000 1.284 132 L HN 0.761 nan 8.230 nan 0.000 0.424 133 E N 4.264 124.543 120.200 0.132 0.000 2.151 133 E HA 0.633 4.984 4.350 0.001 0.000 0.275 133 E C -0.860 175.835 176.600 0.159 0.000 0.936 133 E CA -0.761 55.709 56.400 0.117 0.000 0.777 133 E CB 1.724 31.486 29.700 0.105 0.000 1.108 133 E HN 0.404 nan 8.360 nan 0.000 0.401 134 M N 1.226 120.939 119.600 0.189 0.000 2.423 134 M HA 0.682 5.162 4.480 0.001 0.000 0.335 134 M C -0.361 176.132 176.300 0.323 0.000 1.177 134 M CA -1.053 54.469 55.300 0.369 0.000 1.038 134 M CB 1.093 33.952 32.600 0.431 0.000 1.641 134 M HN 0.442 nan 8.290 nan 0.000 0.455 135 S N 1.932 117.888 115.700 0.428 0.000 2.588 135 S HA 0.811 5.282 4.470 0.001 0.000 0.275 135 S C -1.279 173.544 174.600 0.371 0.000 1.130 135 S CA -0.608 57.771 58.200 0.298 0.000 0.855 135 S CB 2.467 65.791 63.200 0.207 0.000 1.116 135 S HN 0.621 nan 8.310 nan 0.000 0.472 136 L N 2.102 123.441 121.223 0.194 0.000 2.420 136 L HA 0.505 4.845 4.340 0.001 0.000 0.260 136 L C 0.174 177.048 176.870 0.007 0.000 1.508 136 L CA 0.299 55.205 54.840 0.109 0.000 0.835 136 L CB 0.061 42.109 42.059 -0.018 0.000 1.018 136 L HN 0.873 nan 8.230 nan 0.000 0.520 137 E N 0.637 120.880 120.200 0.072 0.000 3.638 137 E HA 0.703 5.053 4.350 0.001 0.000 0.289 137 E C -0.517 176.115 176.600 0.053 0.000 1.464 137 E CA 0.113 56.544 56.400 0.052 0.000 1.396 137 E CB 0.561 30.312 29.700 0.085 0.000 1.303 137 E HN 0.215 nan 8.360 nan 0.000 0.785 138 V N -0.603 119.376 119.914 0.108 0.000 2.409 138 V HA 0.495 4.615 4.120 0.001 0.000 0.291 138 V C 0.678 176.883 176.094 0.185 0.000 1.020 138 V CA -0.713 61.706 62.300 0.199 0.000 0.848 138 V CB 0.409 32.338 31.823 0.176 0.000 0.990 138 V HN 1.210 nan 8.190 nan 0.000 0.430 139 C N 4.747 124.178 119.300 0.218 0.000 2.633 139 C HA 0.511 4.971 4.460 0.001 0.000 0.415 139 C C 1.501 176.574 174.990 0.139 0.000 1.393 139 C CA 0.408 59.525 59.018 0.165 0.000 1.700 139 C CB -0.879 26.961 27.740 0.166 0.000 2.541 139 C HN 1.035 nan 8.230 nan 0.000 0.603 140 S N 3.653 119.420 115.700 0.112 0.000 2.587 140 S HA 0.373 4.843 4.470 0.001 0.000 0.252 140 S C 0.872 175.533 174.600 0.101 0.000 1.282 140 S CA 0.369 58.630 58.200 0.101 0.000 0.977 140 S CB -0.724 62.523 63.200 0.078 0.000 1.015 140 S HN 2.106 nan 8.310 nan 0.000 0.557 141 C N 0.654 120.006 119.300 0.088 0.000 2.679 141 C HA 0.552 5.012 4.460 0.001 0.000 0.417 141 C C -2.086 172.954 174.990 0.083 0.000 1.302 141 C CA -1.429 57.636 59.018 0.078 0.000 1.973 141 C CB -1.264 26.512 27.740 0.061 0.000 2.715 141 C HN 0.651 nan 8.230 nan 0.000 0.628 142 P HA 0.156 nan 4.420 nan 0.000 0.272 142 P C 0.391 177.742 177.300 0.084 0.000 1.254 142 P CA 0.078 63.255 63.100 0.128 0.000 0.795 142 P CB 0.457 32.292 31.700 0.226 0.000 1.022 143 D N -0.748 119.716 120.400 0.107 0.000 2.360 143 D HA 0.061 4.702 4.640 0.001 0.000 0.210 143 D C 0.229 176.569 176.300 0.067 0.000 1.047 143 D CA 0.462 54.517 54.000 0.092 0.000 0.854 143 D CB 0.167 41.028 40.800 0.101 0.000 0.936 143 D HN 0.070 nan 8.370 nan 0.000 0.514 144 L N 1.242 122.449 121.223 -0.026 0.000 2.326 144 L HA 0.228 4.568 4.340 0.001 0.000 0.278 144 L C 0.524 177.069 176.870 -0.541 0.000 1.092 144 L CA -0.215 54.410 54.840 -0.359 0.000 0.810 144 L CB 0.945 42.631 42.059 -0.621 0.000 1.153 144 L HN -0.220 nan 8.230 nan 0.000 0.439 145 R N 3.373 123.611 120.500 -0.437 0.000 2.215 145 R HA 0.340 4.680 4.340 0.001 0.000 0.336 145 R C -1.367 174.770 176.300 -0.273 0.000 0.996 145 R CA -0.403 55.556 56.100 -0.235 0.000 0.847 145 R CB 0.280 30.561 30.300 -0.031 0.000 1.127 145 R HN 0.334 nan 8.270 nan 0.000 0.465 146 F N 3.133 123.133 119.950 0.084 0.000 2.329 146 F HA 0.354 4.882 4.527 0.001 0.000 0.362 146 F C 0.271 176.132 175.800 0.101 0.000 1.113 146 F CA -0.167 57.882 58.000 0.083 0.000 1.212 146 F CB 1.249 40.266 39.000 0.029 0.000 1.509 146 F HN 0.378 nan 8.300 nan 0.000 0.546 147 S N 2.284 118.165 115.700 0.301 0.000 2.552 147 S HA 0.461 4.931 4.470 0.001 0.000 0.272 147 S C 0.366 175.131 174.600 0.276 0.000 1.150 147 S CA -0.694 57.643 58.200 0.230 0.000 0.849 147 S CB 1.152 64.439 63.200 0.144 0.000 1.113 147 S HN 0.340 nan 8.310 nan 0.000 0.458 148 M N 1.961 121.678 119.600 0.195 0.000 2.476 148 M HA 0.297 4.777 4.480 0.001 0.000 0.262 148 M C 1.158 177.526 176.300 0.114 0.000 1.111 148 M CA 0.523 55.937 55.300 0.190 0.000 1.127 148 M CB -1.505 31.175 32.600 0.134 0.000 1.376 148 M HN 0.757 nan 8.290 nan 0.000 0.465 149 A N 1.435 124.296 122.820 0.068 0.000 2.386 149 A HA 0.393 4.713 4.320 0.001 0.000 0.246 149 A C 0.409 177.955 177.584 -0.063 0.000 1.089 149 A CA -0.364 51.682 52.037 0.015 0.000 0.790 149 A CB 0.059 19.069 19.000 0.017 0.000 1.042 149 A HN 0.380 nan 8.150 nan 0.000 0.497 150 L N 0.047 121.235 121.223 -0.060 0.000 2.472 150 L HA 0.224 4.564 4.340 0.001 0.000 0.260 150 L C 0.766 177.562 176.870 -0.122 0.000 1.209 150 L CA -0.618 54.157 54.840 -0.109 0.000 0.817 150 L CB 0.235 42.284 42.059 -0.017 0.000 1.106 150 L HN 0.938 nan 8.230 nan 0.000 0.479 151 C N -0.977 118.226 119.300 -0.161 0.000 2.534 151 C HA 0.205 4.665 4.460 0.001 0.000 0.385 151 C C 1.541 176.470 174.990 -0.101 0.000 1.264 151 C CA -0.896 58.041 59.018 -0.135 0.000 2.342 151 C CB 0.711 28.358 27.740 -0.155 0.000 2.564 151 C HN 0.835 nan 8.230 nan 0.000 0.603 152 D N 1.036 121.381 120.400 -0.092 0.000 2.191 152 D HA -0.211 4.429 4.640 0.001 0.000 0.195 152 D C 2.123 178.339 176.300 -0.141 0.000 1.003 152 D CA 2.026 55.973 54.000 -0.088 0.000 0.867 152 D CB -0.208 40.547 40.800 -0.075 0.000 0.926 152 D HN 0.818 nan 8.370 nan 0.000 0.450 153 Q N 0.218 119.863 119.800 -0.259 0.000 2.230 153 Q HA -0.097 4.243 4.340 0.001 0.000 0.202 153 Q C 2.039 177.783 176.000 -0.426 0.000 0.963 153 Q CA 0.757 56.240 55.803 -0.534 0.000 0.866 153 Q CB -0.047 28.062 28.738 -1.048 0.000 0.931 153 Q HN 0.421 nan 8.270 nan 0.000 0.452 154 E N 1.672 121.787 120.200 -0.143 0.000 2.051 154 E HA -0.120 4.230 4.350 0.001 0.000 0.189 154 E C 1.730 178.430 176.600 0.167 0.000 0.979 154 E CA 0.623 57.111 56.400 0.147 0.000 0.803 154 E CB 0.256 30.052 29.700 0.159 0.000 0.761 154 E HN 0.174 nan 8.360 nan 0.000 0.451 155 K N -0.156 120.280 120.400 0.060 0.000 2.074 155 K HA -0.136 4.184 4.320 0.001 0.000 0.209 155 K C 2.219 178.844 176.600 0.041 0.000 1.048 155 K CA 1.829 58.147 56.287 0.051 0.000 0.926 155 K CB -0.261 32.246 32.500 0.011 0.000 0.713 155 K HN 0.129 nan 8.250 nan 0.000 0.444 156 T N 1.110 115.673 114.554 0.015 0.000 2.821 156 T HA -0.134 4.216 4.350 0.001 0.000 0.267 156 T C 1.433 176.157 174.700 0.040 0.000 1.046 156 T CA 1.024 63.127 62.100 0.005 0.000 1.139 156 T CB -0.305 68.547 68.868 -0.026 0.000 0.871 156 T HN 0.207 nan 8.240 nan 0.000 0.454 157 F N 2.385 122.331 119.950 -0.007 0.000 2.095 157 F HA -0.118 4.410 4.527 0.000 0.000 0.298 157 F C 2.307 178.118 175.800 0.018 0.000 1.104 157 F CA 1.302 59.336 58.000 0.056 0.000 1.232 157 F CB -0.199 38.909 39.000 0.180 0.000 0.987 157 F HN -0.043 nan 8.300 nan 0.000 0.475 158 R N 0.136 120.617 120.500 -0.032 0.000 2.082 158 R HA -0.201 4.140 4.340 0.001 0.000 0.234 158 R C 2.268 178.463 176.300 -0.175 0.000 1.136 158 R CA 2.170 58.189 56.100 -0.136 0.000 0.935 158 R CB -0.838 29.473 30.300 0.019 0.000 0.842 158 R HN 0.431 nan 8.270 nan 0.000 0.430 159 Q N -0.140 119.604 119.800 -0.093 0.000 2.197 159 Q HA -0.244 4.097 4.340 0.001 0.000 0.207 159 Q C 2.437 178.370 176.000 -0.110 0.000 0.984 159 Q CA 2.013 57.769 55.803 -0.079 0.000 0.869 159 Q CB -0.276 28.436 28.738 -0.044 0.000 0.906 159 Q HN 0.552 nan 8.270 nan 0.000 0.426 160 Q N 1.193 120.902 119.800 -0.153 0.000 2.398 160 Q HA -0.005 4.335 4.340 0.001 0.000 0.204 160 Q C 1.694 177.557 176.000 -0.227 0.000 0.932 160 Q CA 1.148 56.856 55.803 -0.158 0.000 0.916 160 Q CB -0.218 28.445 28.738 -0.125 0.000 1.024 160 Q HN 0.385 nan 8.270 nan 0.000 0.504 161 R N -0.482 119.805 120.500 -0.356 0.000 2.237 161 R HA 0.141 4.482 4.340 0.001 0.000 0.195 161 R C 2.142 178.345 176.300 -0.162 0.000 0.956 161 R CA 0.698 56.593 56.100 -0.342 0.000 1.029 161 R CB 0.028 29.914 30.300 -0.690 0.000 0.972 161 R HN 0.418 nan 8.270 nan 0.000 0.493 162 K N 0.933 121.239 120.400 -0.157 0.000 2.001 162 K HA -0.234 4.086 4.320 0.001 0.000 0.223 162 K C 1.368 177.926 176.600 -0.069 0.000 1.055 162 K CA 2.229 58.457 56.287 -0.099 0.000 0.965 162 K CB -0.035 32.416 32.500 -0.082 0.000 0.730 162 K HN 0.095 nan 8.250 nan 0.000 0.449 163 E N -0.383 119.784 120.200 -0.054 0.000 2.265 163 E HA -0.198 4.152 4.350 0.001 0.000 0.196 163 E C 1.911 178.495 176.600 -0.026 0.000 0.996 163 E CA 1.136 57.510 56.400 -0.044 0.000 0.832 163 E CB -0.359 29.321 29.700 -0.033 0.000 0.756 163 E HN 0.514 nan 8.360 nan 0.000 0.491 164 H N 0.591 119.597 119.070 -0.106 0.000 2.389 164 H HA -0.036 4.520 4.556 0.000 0.000 0.299 164 H C 1.831 177.103 175.328 -0.093 0.000 1.081 164 H CA 1.086 57.075 56.048 -0.099 0.000 1.345 164 H CB 0.058 29.753 29.762 -0.111 0.000 1.393 164 H HN -0.005 nan 8.280 nan 0.000 0.520 165 I N 0.662 121.153 120.570 -0.131 0.000 2.113 165 I HA -0.228 3.943 4.170 0.001 0.000 0.238 165 I C 2.649 178.665 176.117 -0.168 0.000 1.070 165 I CA 1.384 62.586 61.300 -0.163 0.000 1.332 165 I CB -1.312 36.632 38.000 -0.094 0.000 1.044 165 I HN 0.324 nan 8.210 nan 0.000 0.402 166 R N 0.945 121.367 120.500 -0.130 0.000 2.133 166 R HA -0.282 4.058 4.340 0.001 0.000 0.245 166 R C 2.416 178.618 176.300 -0.162 0.000 1.137 166 R CA 2.981 59.001 56.100 -0.134 0.000 0.947 166 R CB -0.322 29.908 30.300 -0.117 0.000 0.865 166 R HN 0.523 nan 8.270 nan 0.000 0.437 167 E N 0.018 120.119 120.200 -0.165 0.000 2.038 167 E HA -0.166 4.185 4.350 0.001 0.000 0.195 167 E C 1.953 178.442 176.600 -0.184 0.000 1.000 167 E CA 1.740 58.043 56.400 -0.162 0.000 0.803 167 E CB -0.952 28.666 29.700 -0.136 0.000 0.750 167 E HN 0.549 nan 8.360 nan 0.000 0.448 168 S N -0.422 115.118 115.700 -0.266 0.000 2.382 168 S HA -0.089 4.381 4.470 0.001 0.000 0.228 168 S C 2.201 176.705 174.600 -0.161 0.000 1.027 168 S CA 1.493 59.542 58.200 -0.252 0.000 0.991 168 S CB -0.276 62.698 63.200 -0.376 0.000 0.823 168 S HN 0.533 nan 8.310 nan 0.000 0.469 169 M N 0.852 120.364 119.600 -0.147 0.000 2.213 169 M HA -0.117 4.363 4.480 0.001 0.000 0.263 169 M C 1.851 178.099 176.300 -0.088 0.000 1.062 169 M CA 1.358 56.598 55.300 -0.101 0.000 1.105 169 M CB -0.085 32.460 32.600 -0.091 0.000 1.385 169 M HN 0.154 nan 8.290 nan 0.000 0.417 170 K N 0.237 120.573 120.400 -0.108 0.000 2.025 170 K HA -0.138 4.182 4.320 0.001 0.000 0.207 170 K C 2.321 178.890 176.600 -0.051 0.000 1.049 170 K CA 1.836 58.072 56.287 -0.085 0.000 0.933 170 K CB -0.331 32.093 32.500 -0.127 0.000 0.714 170 K HN 0.295 nan 8.250 nan 0.000 0.438 171 K N 1.197 121.557 120.400 -0.065 0.000 2.152 171 K HA -0.139 4.181 4.320 0.001 0.000 0.206 171 K C 1.915 178.489 176.600 -0.043 0.000 1.048 171 K CA 1.686 57.943 56.287 -0.050 0.000 0.933 171 K CB -0.817 31.644 32.500 -0.066 0.000 0.721 171 K HN 0.140 nan 8.250 nan 0.000 0.447 172 L N -0.582 120.611 121.223 -0.051 0.000 2.084 172 L HA 0.149 4.489 4.340 0.001 0.000 0.202 172 L C 2.121 178.975 176.870 -0.026 0.000 1.074 172 L CA 1.117 55.934 54.840 -0.039 0.000 0.757 172 L CB -0.126 41.907 42.059 -0.044 0.000 0.918 172 L HN 0.228 nan 8.230 nan 0.000 0.444 173 L N 0.617 121.826 121.223 -0.024 0.000 2.376 173 L HA 0.298 4.638 4.340 0.001 0.000 0.219 173 L C 1.176 178.044 176.870 -0.004 0.000 1.133 173 L CA 0.838 55.670 54.840 -0.013 0.000 0.816 173 L CB -1.641 40.411 42.059 -0.012 0.000 0.933 173 L HN 0.470 nan 8.230 nan 0.000 0.449 174 G N -0.773 108.026 108.800 -0.002 0.000 2.758 174 G HA2 -0.176 3.784 3.960 0.001 0.000 0.686 174 G HA3 -0.176 3.784 3.960 0.001 0.000 0.686 174 G C -1.829 173.090 174.900 0.031 0.000 1.389 174 G CA -0.268 44.837 45.100 0.008 0.000 0.845 174 G HN 0.064 nan 8.290 nan 0.000 0.572 175 P HA -0.064 nan 4.420 nan 0.000 0.221 175 P C 1.542 178.862 177.300 0.033 0.000 1.150 175 P CA 1.167 64.301 63.100 0.058 0.000 0.800 175 P CB 0.146 31.859 31.700 0.022 0.000 0.787 176 K N 1.069 121.477 120.400 0.014 0.000 1.984 176 K HA -0.106 4.214 4.320 0.001 0.000 0.209 176 K C 2.057 178.664 176.600 0.012 0.000 1.046 176 K CA 1.992 58.281 56.287 0.004 0.000 0.934 176 K CB -1.348 31.151 32.500 -0.002 0.000 0.717 176 K HN 0.163 nan 8.250 nan 0.000 0.438 177 N N -0.033 118.676 118.700 0.014 0.000 2.398 177 N HA 0.028 4.768 4.740 0.001 0.000 0.188 177 N C 1.455 176.980 175.510 0.025 0.000 1.122 177 N CA 1.033 54.091 53.050 0.013 0.000 0.866 177 N CB -0.148 38.341 38.487 0.003 0.000 0.970 177 N HN 0.427 nan 8.380 nan 0.000 0.462 178 S N -0.124 115.606 115.700 0.049 0.000 2.572 178 S HA 0.208 4.678 4.470 0.001 0.000 0.228 178 S C 1.550 176.235 174.600 0.141 0.000 0.963 178 S CA -0.101 58.138 58.200 0.064 0.000 0.939 178 S CB -0.026 63.208 63.200 0.057 0.000 0.804 178 S HN 0.390 nan 8.310 nan 0.000 0.480 179 E N 1.707 121.981 120.200 0.123 0.000 2.035 179 E HA -0.175 4.176 4.350 0.001 0.000 0.204 179 E C 2.183 178.868 176.600 0.143 0.000 1.025 179 E CA 1.623 58.105 56.400 0.136 0.000 0.835 179 E CB -0.902 28.825 29.700 0.045 0.000 0.764 179 E HN 0.572 nan 8.360 nan 0.000 0.457 180 G N 0.853 109.694 108.800 0.069 0.000 2.549 180 G HA2 -0.224 3.737 3.960 0.001 0.000 0.222 180 G HA3 -0.224 3.737 3.960 0.001 0.000 0.222 180 G C 1.651 176.570 174.900 0.032 0.000 1.100 180 G CA 0.640 45.766 45.100 0.043 0.000 0.739 180 G HN 0.159 nan 8.290 nan 0.000 0.577 181 L N -1.099 120.136 121.223 0.019 0.000 2.162 181 L HA 0.087 4.427 4.340 0.001 0.000 0.205 181 L C 2.420 179.236 176.870 -0.090 0.000 1.086 181 L CA 0.507 55.310 54.840 -0.062 0.000 0.778 181 L CB -0.333 41.644 42.059 -0.137 0.000 0.928 181 L HN 0.188 nan 8.230 nan 0.000 0.446 182 H N -0.698 118.361 119.070 -0.018 0.000 2.518 182 H HA -0.114 4.442 4.556 0.000 0.000 0.292 182 H C 2.030 177.350 175.328 -0.014 0.000 1.068 182 H CA 1.408 57.446 56.048 -0.017 0.000 1.275 182 H CB 0.119 29.872 29.762 -0.016 0.000 1.375 182 H HN 0.364 nan 8.280 nan 0.000 0.563 183 S N -1.392 114.356 115.700 0.079 0.000 2.733 183 S HA 0.411 4.881 4.470 0.001 0.000 0.247 183 S C 0.974 175.583 174.600 0.015 0.000 1.043 183 S CA -0.139 58.087 58.200 0.043 0.000 1.066 183 S CB 0.317 63.542 63.200 0.042 0.000 1.045 183 S HN 0.353 nan 8.310 nan 0.000 0.586 184 A N 1.817 124.639 122.820 0.003 0.000 2.567 184 A HA 0.559 4.879 4.320 0.001 0.000 0.240 184 A C 1.603 179.179 177.584 -0.013 0.000 1.053 184 A CA 0.446 52.478 52.037 -0.009 0.000 0.755 184 A CB -0.059 18.926 19.000 -0.025 0.000 0.978 184 A HN 0.788 nan 8.150 nan 0.000 0.507 185 R N 2.280 122.776 120.500 -0.008 0.000 2.051 185 R HA 0.063 4.403 4.340 0.001 0.000 0.225 185 R C 0.088 176.379 176.300 -0.014 0.000 1.155 185 R CA 1.898 57.993 56.100 -0.008 0.000 0.945 185 R CB -0.963 29.335 30.300 -0.003 0.000 0.840 185 R HN 0.870 nan 8.270 nan 0.000 0.432 186 D N -0.509 119.884 120.400 -0.011 0.000 2.502 186 D HA 0.424 5.065 4.640 0.001 0.000 0.249 186 D C -0.086 176.204 176.300 -0.016 0.000 1.092 186 D CA -0.209 53.783 54.000 -0.014 0.000 0.839 186 D CB 2.220 43.018 40.800 -0.004 0.000 1.264 186 D HN 0.423 nan 8.370 nan 0.000 0.511 187 V N 0.540 120.437 119.914 -0.027 0.000 3.376 187 V HA 0.500 4.621 4.120 0.001 0.000 0.303 187 V C -2.093 173.992 176.094 -0.015 0.000 1.100 187 V CA -1.260 61.022 62.300 -0.030 0.000 1.126 187 V CB 0.018 31.812 31.823 -0.049 0.000 1.085 187 V HN 0.439 nan 8.190 nan 0.000 0.480 188 P HA 0.290 nan 4.420 nan 0.000 0.279 188 P C -0.655 176.653 177.300 0.013 0.000 1.239 188 P CA -0.261 62.844 63.100 0.008 0.000 0.789 188 P CB 1.323 33.029 31.700 0.011 0.000 0.933 189 V N 4.012 123.948 119.914 0.036 0.000 2.356 189 V HA 0.076 4.196 4.120 0.001 0.000 0.258 189 V C 0.673 176.818 176.094 0.086 0.000 1.065 189 V CA -0.379 61.954 62.300 0.055 0.000 0.935 189 V CB 0.668 32.554 31.823 0.106 0.000 1.061 189 V HN 0.268 nan 8.190 nan 0.000 0.484 190 V N 4.541 124.498 119.914 0.070 0.000 2.439 190 V HA 0.741 4.862 4.120 0.001 0.000 0.282 190 V C 0.532 176.714 176.094 0.147 0.000 1.039 190 V CA -0.283 62.075 62.300 0.097 0.000 0.913 190 V CB 1.491 33.358 31.823 0.074 0.000 0.983 190 V HN 0.927 nan 8.190 nan 0.000 0.460 191 A N 5.832 128.754 122.820 0.170 0.000 2.330 191 A HA 0.842 5.163 4.320 0.001 0.000 0.313 191 A C -0.926 176.756 177.584 0.164 0.000 1.124 191 A CA -0.515 51.642 52.037 0.201 0.000 0.774 191 A CB 0.749 19.863 19.000 0.189 0.000 1.198 191 A HN 0.611 nan 8.150 nan 0.000 0.465 192 I N 2.087 122.769 120.570 0.185 0.000 2.396 192 I HA 0.425 4.596 4.170 0.001 0.000 0.292 192 I C -0.453 175.781 176.117 0.194 0.000 0.999 192 I CA -0.406 61.035 61.300 0.235 0.000 1.310 192 I CB 1.235 39.377 38.000 0.237 0.000 1.404 192 I HN 0.441 nan 8.210 nan 0.000 0.496 193 L N 5.471 126.827 121.223 0.222 0.000 2.356 193 L HA 0.759 5.099 4.340 0.001 0.000 0.277 193 L C 0.244 177.128 176.870 0.023 0.000 0.996 193 L CA -0.131 54.731 54.840 0.038 0.000 0.822 193 L CB 1.742 43.732 42.059 -0.116 0.000 1.256 193 L HN 0.684 nan 8.230 nan 0.000 0.413 194 G N 0.916 109.504 108.800 -0.353 0.000 2.416 194 G HA2 0.601 4.561 3.960 0.001 0.000 0.329 194 G HA3 0.601 4.561 3.960 0.001 0.000 0.329 194 G C -0.534 174.186 174.900 -0.300 0.000 1.173 194 G CA -0.305 44.362 45.100 -0.722 0.000 0.929 194 G HN 0.606 nan 8.290 nan 0.000 0.475 195 S N 0.945 116.629 115.700 -0.027 0.000 2.693 195 S HA 0.795 5.265 4.470 0.001 0.000 0.276 195 S C 0.870 175.490 174.600 0.034 0.000 1.192 195 S CA -0.062 58.163 58.200 0.042 0.000 0.994 195 S CB 1.436 64.706 63.200 0.116 0.000 1.012 195 S HN 0.988 nan 8.310 nan 0.000 0.550 196 G N -1.000 107.806 108.800 0.010 0.000 2.588 196 G HA2 0.504 4.465 3.960 0.001 0.000 0.278 196 G HA3 0.504 4.465 3.960 0.001 0.000 0.278 196 G C 0.617 175.540 174.900 0.038 0.000 1.307 196 G CA -0.530 44.548 45.100 -0.037 0.000 1.016 196 G HN 2.044 nan 8.290 nan 0.000 0.503 197 G N -1.957 106.866 108.800 0.038 0.000 2.321 197 G HA2 0.456 4.416 3.960 0.001 0.000 0.177 197 G HA3 0.456 4.416 3.960 0.001 0.000 0.177 197 G C 0.914 175.910 174.900 0.159 0.000 1.072 197 G CA 0.461 45.635 45.100 0.123 0.000 0.768 197 G HN 2.379 nan 8.290 nan 0.000 0.481 198 G N -0.009 108.930 108.800 0.231 0.000 2.582 198 G HA2 -0.166 3.795 3.960 0.001 0.000 0.300 198 G HA3 -0.166 3.795 3.960 0.001 0.000 0.300 198 G C 0.860 175.875 174.900 0.190 0.000 1.300 198 G CA 0.694 45.880 45.100 0.143 0.000 0.959 198 G HN 0.892 nan 8.290 nan 0.000 0.548 199 F N 1.253 121.106 119.950 -0.162 0.000 2.365 199 F HA 0.047 4.574 4.527 0.000 0.000 0.300 199 F C 2.789 178.414 175.800 -0.291 0.000 1.090 199 F CA 1.654 59.522 58.000 -0.221 0.000 1.408 199 F CB -0.491 38.253 39.000 -0.428 0.000 1.060 199 F HN 0.494 nan 8.300 nan 0.000 0.534 200 R N 0.324 120.891 120.500 0.112 0.000 2.066 200 R HA -0.118 4.223 4.340 0.001 0.000 0.232 200 R C 2.369 178.529 176.300 -0.233 0.000 1.131 200 R CA 1.383 57.543 56.100 0.101 0.000 0.955 200 R CB -0.398 30.064 30.300 0.269 0.000 0.851 200 R HN 0.157 nan 8.270 nan 0.000 0.432 201 A N 1.024 123.703 122.820 -0.235 0.000 1.933 201 A HA -0.201 4.119 4.320 0.001 0.000 0.218 201 A C 2.193 179.386 177.584 -0.652 0.000 1.175 201 A CA 1.562 53.241 52.037 -0.597 0.000 0.628 201 A CB -0.516 18.358 19.000 -0.210 0.000 0.814 201 A HN 0.516 nan 8.150 nan 0.000 0.444 202 M N -0.436 118.980 119.600 -0.307 0.000 2.077 202 M HA -0.110 4.370 4.480 0.001 0.000 0.261 202 M C 1.913 178.011 176.300 -0.338 0.000 1.070 202 M CA 1.932 57.117 55.300 -0.191 0.000 1.125 202 M CB -0.142 32.432 32.600 -0.044 0.000 1.339 202 M HN 0.208 nan 8.290 nan 0.000 0.409 203 V N 0.304 119.964 119.914 -0.424 0.000 2.427 203 V HA -0.144 3.976 4.120 0.001 0.000 0.248 203 V C 2.563 178.347 176.094 -0.517 0.000 1.051 203 V CA 1.862 63.858 62.300 -0.507 0.000 1.048 203 V CB -1.651 29.808 31.823 -0.606 0.000 0.666 203 V HN 0.726 nan 8.190 nan 0.000 0.456 204 G N -0.691 107.763 108.800 -0.576 0.000 2.433 204 G HA2 -0.295 3.665 3.960 0.001 0.000 0.216 204 G HA3 -0.295 3.665 3.960 0.001 0.000 0.216 204 G C 1.519 176.175 174.900 -0.406 0.000 1.186 204 G CA 0.844 45.630 45.100 -0.524 0.000 0.779 204 G HN 0.426 nan 8.290 nan 0.000 0.543 205 F N 2.736 122.185 119.950 -0.836 0.000 2.250 205 F HA -0.141 4.386 4.527 0.001 0.000 0.301 205 F C 2.981 178.367 175.800 -0.689 0.000 1.077 205 F CA 1.314 59.019 58.000 -0.491 0.000 1.348 205 F CB -0.254 38.513 39.000 -0.389 0.000 1.040 205 F HN 0.281 nan 8.300 nan 0.000 0.509 206 S N -0.723 114.436 115.700 -0.901 0.000 2.383 206 S HA -0.053 4.417 4.470 0.001 0.000 0.227 206 S C 2.444 176.736 174.600 -0.514 0.000 1.026 206 S CA 1.014 58.510 58.200 -1.174 0.000 0.981 206 S CB -1.370 61.341 63.200 -0.816 0.000 0.818 206 S HN 0.360 nan 8.310 nan 0.000 0.472 207 G N 1.260 109.794 108.800 -0.443 0.000 2.402 207 G HA2 -0.068 3.892 3.960 0.001 0.000 0.216 207 G HA3 -0.068 3.892 3.960 0.001 0.000 0.216 207 G C 1.447 176.125 174.900 -0.370 0.000 1.162 207 G CA 0.863 45.581 45.100 -0.638 0.000 0.777 207 G HN 0.463 nan 8.290 nan 0.000 0.539 208 V N 1.310 120.986 119.914 -0.397 0.000 2.287 208 V HA -0.190 3.930 4.120 0.001 0.000 0.248 208 V C 2.947 178.723 176.094 -0.531 0.000 1.053 208 V CA 1.755 63.756 62.300 -0.499 0.000 1.027 208 V CB -0.332 31.058 31.823 -0.721 0.000 0.646 208 V HN 0.277 nan 8.190 nan 0.000 0.447 209 M N -0.387 118.838 119.600 -0.624 0.000 2.229 209 M HA -0.136 4.344 4.480 0.001 0.000 0.264 209 M C 2.164 178.373 176.300 -0.151 0.000 1.063 209 M CA 1.601 56.648 55.300 -0.422 0.000 1.114 209 M CB -1.118 31.243 32.600 -0.398 0.000 1.387 209 M HN 0.385 nan 8.290 nan 0.000 0.420 210 K N 0.475 120.793 120.400 -0.136 0.000 2.057 210 K HA -0.095 4.225 4.320 0.001 0.000 0.207 210 K C 1.979 178.645 176.600 0.110 0.000 1.049 210 K CA 1.533 57.812 56.287 -0.014 0.000 0.931 210 K CB 0.001 32.479 32.500 -0.037 0.000 0.714 210 K HN 0.182 nan 8.250 nan 0.000 0.440 211 A N 1.464 124.351 122.820 0.112 0.000 1.858 211 A HA -0.109 4.211 4.320 0.001 0.000 0.216 211 A C 2.135 179.739 177.584 0.032 0.000 1.190 211 A CA 1.392 53.491 52.037 0.103 0.000 0.617 211 A CB -0.741 18.230 19.000 -0.049 0.000 0.827 211 A HN 0.340 nan 8.150 nan 0.000 0.443 212 L N -2.051 119.148 121.223 -0.040 0.000 2.191 212 L HA -0.199 4.141 4.340 0.001 0.000 0.212 212 L C 2.533 179.436 176.870 0.056 0.000 1.103 212 L CA 1.641 56.466 54.840 -0.025 0.000 0.769 212 L CB -0.562 41.439 42.059 -0.097 0.000 0.908 212 L HN 0.638 nan 8.230 nan 0.000 0.438 213 Y N 1.194 121.476 120.300 -0.030 0.000 2.114 213 Y HA -0.212 4.339 4.550 0.001 0.000 0.284 213 Y C 2.513 178.422 175.900 0.016 0.000 1.119 213 Y CA 1.687 59.791 58.100 0.007 0.000 1.108 213 Y CB -0.034 38.439 38.460 0.022 0.000 0.995 213 Y HN 0.130 nan 8.280 nan 0.000 0.491 214 E N -0.384 119.972 120.200 0.260 0.000 2.204 214 E HA -0.172 4.178 4.350 0.001 0.000 0.195 214 E C 1.967 178.584 176.600 0.028 0.000 0.990 214 E CA 1.350 57.837 56.400 0.145 0.000 0.821 214 E CB -0.300 29.522 29.700 0.204 0.000 0.750 214 E HN 0.503 nan 8.360 nan 0.000 0.477 215 S N -0.563 115.149 115.700 0.020 0.000 2.593 215 S HA 0.198 4.668 4.470 0.001 0.000 0.217 215 S C 1.666 176.242 174.600 -0.040 0.000 0.966 215 S CA 0.271 58.465 58.200 -0.009 0.000 0.914 215 S CB 0.341 63.537 63.200 -0.008 0.000 0.776 215 S HN 0.406 nan 8.310 nan 0.000 0.523 216 G N 1.526 110.280 108.800 -0.077 0.000 2.184 216 G HA2 -0.278 3.682 3.960 0.001 0.000 0.264 216 G HA3 -0.278 3.682 3.960 0.001 0.000 0.264 216 G C 0.720 175.577 174.900 -0.071 0.000 0.975 216 G CA 0.380 45.420 45.100 -0.100 0.000 0.642 216 G HN 0.485 nan 8.290 nan 0.000 0.536 217 I N 0.586 121.135 120.570 -0.036 0.000 2.226 217 I HA -0.099 4.071 4.170 0.001 0.000 0.245 217 I C 2.952 179.071 176.117 0.004 0.000 1.100 217 I CA 1.424 62.719 61.300 -0.009 0.000 1.374 217 I CB -1.137 36.871 38.000 0.014 0.000 1.057 217 I HN 0.336 nan 8.210 nan 0.000 0.413 218 L N 0.456 121.685 121.223 0.010 0.000 2.043 218 L HA -0.268 4.072 4.340 0.001 0.000 0.212 218 L C 2.068 178.968 176.870 0.050 0.000 1.075 218 L CA 1.588 56.459 54.840 0.053 0.000 0.752 218 L CB -0.655 41.459 42.059 0.093 0.000 0.891 218 L HN 0.322 nan 8.230 nan 0.000 0.432 219 D N -0.818 119.580 120.400 -0.005 0.000 2.354 219 D HA -0.160 4.480 4.640 0.001 0.000 0.216 219 D C 1.807 178.067 176.300 -0.067 0.000 0.970 219 D CA 1.105 55.096 54.000 -0.014 0.000 0.905 219 D CB 0.099 40.827 40.800 -0.122 0.000 0.903 219 D HN 0.491 nan 8.370 nan 0.000 0.508 220 C N 0.559 119.835 119.300 -0.040 0.000 2.912 220 C HA 0.408 4.869 4.460 0.001 0.000 0.274 220 C C 1.293 176.283 174.990 0.001 0.000 1.248 220 C CA -0.798 58.194 59.018 -0.043 0.000 1.694 220 C CB -0.580 27.138 27.740 -0.038 0.000 2.024 220 C HN 0.203 nan 8.230 nan 0.000 0.605 221 A N 0.852 123.696 122.820 0.040 0.000 2.354 221 A HA 0.484 4.805 4.320 0.001 0.000 0.269 221 A C 1.074 178.688 177.584 0.049 0.000 1.109 221 A CA 0.280 52.357 52.037 0.067 0.000 0.800 221 A CB 0.277 19.343 19.000 0.111 0.000 1.045 221 A HN 0.384 nan 8.150 nan 0.000 0.489 222 T N 0.686 115.229 114.554 -0.019 0.000 3.040 222 T HA 0.216 4.566 4.350 0.001 0.000 0.252 222 T C -0.364 174.148 174.700 -0.314 0.000 1.064 222 T CA 1.214 63.194 62.100 -0.199 0.000 1.110 222 T CB -0.187 68.427 68.868 -0.422 0.000 0.921 222 T HN 0.593 nan 8.240 nan 0.000 0.480 223 Y N -0.466 119.927 120.300 0.156 0.000 2.581 223 Y HA 0.639 5.189 4.550 0.000 0.000 0.345 223 Y C -0.848 175.086 175.900 0.057 0.000 1.036 223 Y CA -1.379 56.768 58.100 0.079 0.000 1.042 223 Y CB 2.007 40.486 38.460 0.032 0.000 1.289 223 Y HN -0.340 nan 8.280 nan 0.000 0.471 224 V N 2.159 122.176 119.914 0.172 0.000 2.488 224 V HA 0.745 4.865 4.120 0.001 0.000 0.293 224 V C -0.731 175.305 176.094 -0.096 0.000 1.027 224 V CA -0.637 61.721 62.300 0.095 0.000 0.862 224 V CB 1.230 33.134 31.823 0.136 0.000 1.008 224 V HN 0.848 nan 8.190 nan 0.000 0.428 225 A N 3.555 126.314 122.820 -0.101 0.000 2.340 225 A HA 1.043 5.364 4.320 0.001 0.000 0.331 225 A C 0.145 177.555 177.584 -0.290 0.000 1.140 225 A CA -0.030 51.854 52.037 -0.255 0.000 0.801 225 A CB 1.925 20.800 19.000 -0.209 0.000 1.234 225 A HN 1.191 nan 8.150 nan 0.000 0.469 226 G N -0.551 108.015 108.800 -0.389 0.000 2.684 226 G HA2 0.742 4.702 3.960 0.001 0.000 0.290 226 G HA3 0.742 4.702 3.960 0.001 0.000 0.290 226 G C -1.451 173.262 174.900 -0.310 0.000 1.425 226 G CA -0.093 44.789 45.100 -0.363 0.000 0.822 226 G HN 1.864 nan 8.290 nan 0.000 0.482 227 L N -1.639 119.433 121.223 -0.251 0.000 2.469 227 L HA 0.910 5.250 4.340 0.001 0.000 0.256 227 L C 0.751 177.501 176.870 -0.200 0.000 1.006 227 L CA 0.156 54.874 54.840 -0.204 0.000 0.832 227 L CB 1.187 43.185 42.059 -0.103 0.000 1.421 227 L HN 1.345 nan 8.230 nan 0.000 0.410 228 S N 1.512 117.117 115.700 -0.158 0.000 4.137 228 S HA -0.304 4.166 4.470 0.001 0.000 0.541 228 S C 1.394 175.627 174.600 -0.611 0.000 1.855 228 S CA 2.939 61.006 58.200 -0.221 0.000 4.197 228 S CB -1.745 61.385 63.200 -0.116 0.000 0.627 228 S HN 1.993 nan 8.310 nan 0.000 0.490 229 G N 0.086 108.518 108.800 -0.614 0.000 2.440 229 G HA2 -0.155 3.805 3.960 0.001 0.000 0.218 229 G HA3 -0.155 3.805 3.960 0.001 0.000 0.218 229 G C 1.611 176.292 174.900 -0.364 0.000 1.154 229 G CA 1.599 46.271 45.100 -0.712 0.000 0.767 229 G HN 0.734 nan 8.290 nan 0.000 0.552 230 S N -0.102 115.427 115.700 -0.285 0.000 2.399 230 S HA -0.104 4.366 4.470 0.001 0.000 0.231 230 S C 2.455 177.044 174.600 -0.018 0.000 1.022 230 S CA 1.505 59.562 58.200 -0.238 0.000 0.983 230 S CB -0.387 62.462 63.200 -0.585 0.000 0.803 230 S HN 0.435 nan 8.310 nan 0.000 0.480 231 T N 0.935 115.433 114.554 -0.093 0.000 2.759 231 T HA -0.118 4.232 4.350 0.001 0.000 0.269 231 T C 1.238 176.176 174.700 0.398 0.000 1.042 231 T CA 1.148 63.307 62.100 0.099 0.000 1.140 231 T CB -0.259 68.608 68.868 -0.003 0.000 0.864 231 T HN 0.527 nan 8.240 nan 0.000 0.455 232 W N 0.207 121.662 121.300 0.258 0.000 2.402 232 W HA 0.062 4.722 4.660 0.001 0.000 0.286 232 W C 2.032 178.664 176.519 0.187 0.000 1.221 232 W CA -0.269 57.215 57.345 0.232 0.000 1.257 232 W CB -1.430 28.159 29.460 0.216 0.000 1.120 232 W HN 0.372 nan 8.180 nan 0.000 0.551 233 Y N 0.475 120.960 120.300 0.308 0.000 2.220 233 Y HA -0.159 4.392 4.550 0.000 0.000 0.291 233 Y C 2.535 178.559 175.900 0.207 0.000 1.129 233 Y CA 1.840 60.059 58.100 0.198 0.000 1.161 233 Y CB -0.604 37.962 38.460 0.178 0.000 0.997 233 Y HN -0.219 nan 8.280 nan 0.000 0.522 234 M N -0.828 118.931 119.600 0.264 0.000 2.080 234 M HA -0.264 4.216 4.480 0.001 0.000 0.260 234 M C 2.276 178.739 176.300 0.271 0.000 1.068 234 M CA 2.043 57.487 55.300 0.240 0.000 1.109 234 M CB -0.448 32.252 32.600 0.166 0.000 1.342 234 M HN 0.125 nan 8.290 nan 0.000 0.405 235 S N -0.077 115.834 115.700 0.351 0.000 2.370 235 S HA -0.138 4.332 4.470 0.001 0.000 0.226 235 S C 1.959 176.629 174.600 0.117 0.000 1.033 235 S CA 1.915 60.286 58.200 0.284 0.000 1.011 235 S CB -0.551 62.831 63.200 0.303 0.000 0.852 235 S HN 0.497 nan 8.310 nan 0.000 0.457 236 T N 2.401 116.961 114.554 0.011 0.000 2.777 236 T HA 0.008 4.358 4.350 0.001 0.000 0.266 236 T C 1.765 176.335 174.700 -0.217 0.000 1.040 236 T CA 0.991 63.033 62.100 -0.096 0.000 1.141 236 T CB -0.373 68.420 68.868 -0.125 0.000 0.868 236 T HN 0.173 nan 8.240 nan 0.000 0.444 237 L N 0.162 121.104 121.223 -0.467 0.000 1.988 237 L HA 0.045 4.385 4.340 0.001 0.000 0.207 237 L C 2.055 178.519 176.870 -0.676 0.000 1.071 237 L CA 1.738 56.141 54.840 -0.728 0.000 0.744 237 L CB -0.983 40.448 42.059 -1.047 0.000 0.893 237 L HN 0.215 nan 8.230 nan 0.000 0.433 238 Y N -0.204 119.854 120.300 -0.405 0.000 2.403 238 Y HA -0.172 4.378 4.550 0.001 0.000 0.291 238 Y C 2.778 178.736 175.900 0.098 0.000 1.143 238 Y CA 1.469 59.532 58.100 -0.063 0.000 1.257 238 Y CB -0.526 37.983 38.460 0.083 0.000 0.984 238 Y HN 0.491 nan 8.280 nan 0.000 0.550 239 S N -1.612 114.182 115.700 0.157 0.000 2.548 239 S HA -0.056 4.414 4.470 0.001 0.000 0.215 239 S C 0.685 175.340 174.600 0.092 0.000 0.976 239 S CA -0.244 58.031 58.200 0.124 0.000 0.908 239 S CB -0.519 62.723 63.200 0.071 0.000 0.781 239 S HN 0.352 nan 8.310 nan 0.000 0.519 240 H N 4.298 123.362 119.070 -0.010 0.000 2.964 240 H HA 0.149 4.705 4.556 0.000 0.000 0.328 240 H C -1.448 173.914 175.328 0.055 0.000 1.030 240 H CA -0.937 55.105 56.048 -0.010 0.000 1.445 240 H CB 1.363 31.090 29.762 -0.058 0.000 1.449 240 H HN 0.142 nan 8.280 nan 0.000 0.581 241 P HA -0.153 nan 4.420 nan 0.000 0.216 241 P C 0.440 177.875 177.300 0.225 0.000 1.150 241 P CA 1.215 64.364 63.100 0.082 0.000 0.837 241 P CB 0.499 32.162 31.700 -0.062 0.000 0.786 242 D N -1.583 119.099 120.400 0.470 0.000 2.339 242 D HA 0.041 4.681 4.640 0.001 0.000 0.217 242 D C 0.429 176.814 176.300 0.142 0.000 1.050 242 D CA -0.063 54.078 54.000 0.236 0.000 0.856 242 D CB -0.428 40.482 40.800 0.183 0.000 0.922 242 D HN 0.172 nan 8.370 nan 0.000 0.518 243 F N 3.073 123.036 119.950 0.022 0.000 2.412 243 F HA 0.230 4.757 4.527 0.000 0.000 0.348 243 F C -1.570 174.206 175.800 -0.038 0.000 1.102 243 F CA -2.247 55.702 58.000 -0.085 0.000 1.196 243 F CB 1.377 40.289 39.000 -0.147 0.000 1.144 243 F HN -0.225 nan 8.300 nan 0.000 0.541 244 P HA 0.065 nan 4.420 nan 0.000 0.255 244 P C 0.823 177.986 177.300 -0.229 0.000 1.248 244 P CA 1.127 63.679 63.100 -0.914 0.000 0.807 244 P CB -0.115 30.997 31.700 -0.980 0.000 1.150 245 E N 1.298 121.420 120.200 -0.130 0.000 2.049 245 E HA -0.141 4.209 4.350 0.001 0.000 0.198 245 E C 1.446 178.054 176.600 0.013 0.000 1.007 245 E CA 1.923 58.303 56.400 -0.034 0.000 0.809 245 E CB -1.296 28.392 29.700 -0.019 0.000 0.749 245 E HN 0.517 nan 8.360 nan 0.000 0.450 246 K N 0.056 120.451 120.400 -0.008 0.000 2.098 246 K HA 0.683 5.003 4.320 0.001 0.000 0.258 246 K C 0.571 177.136 176.600 -0.058 0.000 0.973 246 K CA -0.129 56.135 56.287 -0.038 0.000 0.898 246 K CB 1.395 33.838 32.500 -0.094 0.000 1.057 246 K HN 0.761 nan 8.250 nan 0.000 0.447 247 G N -0.149 108.523 108.800 -0.213 0.000 3.251 247 G HA2 0.551 4.511 3.960 0.001 0.000 0.248 247 G HA3 0.551 4.511 3.960 0.001 0.000 0.248 247 G C -1.898 172.734 174.900 -0.446 0.000 1.320 247 G CA -0.796 43.988 45.100 -0.527 0.000 0.982 247 G HN 0.401 nan 8.290 nan 0.000 0.575 248 P HA -0.111 nan 4.420 nan 0.000 0.218 248 P C 1.653 178.861 177.300 -0.154 0.000 1.146 248 P CA 1.064 64.026 63.100 -0.230 0.000 0.820 248 P CB 0.293 31.892 31.700 -0.168 0.000 0.778 249 E N -0.038 120.047 120.200 -0.192 0.000 2.035 249 E HA -0.246 4.105 4.350 0.001 0.000 0.204 249 E C 1.793 178.338 176.600 -0.091 0.000 1.025 249 E CA 1.747 58.087 56.400 -0.100 0.000 0.835 249 E CB -0.451 29.204 29.700 -0.074 0.000 0.764 249 E HN 0.358 nan 8.360 nan 0.000 0.457 250 E N 0.306 120.436 120.200 -0.118 0.000 2.076 250 E HA -0.002 4.348 4.350 0.001 0.000 0.190 250 E C 2.223 178.752 176.600 -0.118 0.000 0.979 250 E CA 0.370 56.707 56.400 -0.104 0.000 0.807 250 E CB -0.234 29.403 29.700 -0.106 0.000 0.761 250 E HN 0.272 nan 8.360 nan 0.000 0.454 251 I N 1.360 121.821 120.570 -0.182 0.000 2.361 251 I HA -0.250 3.920 4.170 0.001 0.000 0.251 251 I C 1.352 177.437 176.117 -0.053 0.000 1.133 251 I CA 0.830 62.031 61.300 -0.165 0.000 1.413 251 I CB -0.270 37.561 38.000 -0.283 0.000 1.073 251 I HN 0.092 nan 8.210 nan 0.000 0.424 252 N N 0.994 119.679 118.700 -0.026 0.000 2.331 252 N HA -0.131 4.609 4.740 0.001 0.000 0.180 252 N C 1.995 177.448 175.510 -0.095 0.000 1.019 252 N CA 1.443 54.510 53.050 0.028 0.000 0.881 252 N CB -0.383 38.123 38.487 0.031 0.000 0.972 252 N HN 0.497 nan 8.380 nan 0.000 0.435 253 E N 1.437 121.569 120.200 -0.114 0.000 2.106 253 E HA -0.156 4.194 4.350 0.001 0.000 0.192 253 E C 1.778 178.279 176.600 -0.165 0.000 0.984 253 E CA 1.296 57.605 56.400 -0.151 0.000 0.806 253 E CB -0.717 28.927 29.700 -0.094 0.000 0.750 253 E HN 0.572 nan 8.360 nan 0.000 0.458 254 E N -0.138 120.003 120.200 -0.099 0.000 2.047 254 E HA -0.027 4.324 4.350 0.001 0.000 0.191 254 E C 2.303 178.840 176.600 -0.106 0.000 0.987 254 E CA 0.791 57.151 56.400 -0.066 0.000 0.799 254 E CB -0.148 29.552 29.700 0.001 0.000 0.752 254 E HN 0.424 nan 8.360 nan 0.000 0.449 255 L N 0.838 121.997 121.223 -0.105 0.000 2.043 255 L HA -0.256 4.084 4.340 0.001 0.000 0.212 255 L C 2.608 179.263 176.870 -0.357 0.000 1.075 255 L CA 1.400 56.174 54.840 -0.110 0.000 0.752 255 L CB -0.238 41.862 42.059 0.068 0.000 0.891 255 L HN 0.332 nan 8.230 nan 0.000 0.432 256 M N 0.218 119.379 119.600 -0.731 0.000 2.065 256 M HA -0.278 4.202 4.480 0.001 0.000 0.259 256 M C 2.575 178.585 176.300 -0.484 0.000 1.069 256 M CA 2.900 57.506 55.300 -1.157 0.000 1.110 256 M CB -0.260 31.629 32.600 -1.186 0.000 1.328 256 M HN 0.115 nan 8.290 nan 0.000 0.405 257 K N 0.387 120.613 120.400 -0.289 0.000 2.097 257 K HA -0.184 4.136 4.320 0.001 0.000 0.206 257 K C 1.357 177.906 176.600 -0.086 0.000 1.049 257 K CA 2.317 58.518 56.287 -0.144 0.000 0.933 257 K CB -1.869 30.577 32.500 -0.090 0.000 0.717 257 K HN 0.799 nan 8.250 nan 0.000 0.442 258 N N -0.111 118.545 118.700 -0.074 0.000 2.244 258 N HA -0.061 4.680 4.740 0.001 0.000 0.183 258 N C 1.395 176.920 175.510 0.025 0.000 1.016 258 N CA 1.075 54.121 53.050 -0.007 0.000 0.866 258 N CB 0.177 38.688 38.487 0.039 0.000 0.980 258 N HN 0.212 nan 8.380 nan 0.000 0.430 259 V N 0.367 120.284 119.914 0.004 0.000 3.650 259 V HA -0.021 4.099 4.120 0.001 0.000 0.271 259 V C 1.978 178.183 176.094 0.185 0.000 1.281 259 V CA 0.765 63.153 62.300 0.146 0.000 1.120 259 V CB 0.140 32.024 31.823 0.102 0.000 0.856 259 V HN 0.353 nan 8.190 nan 0.000 0.443 260 S N -0.158 115.586 115.700 0.073 0.000 2.402 260 S HA -0.078 4.392 4.470 0.001 0.000 0.229 260 S C 1.033 175.688 174.600 0.092 0.000 1.021 260 S CA 1.009 59.258 58.200 0.081 0.000 0.974 260 S CB -0.836 62.370 63.200 0.010 0.000 0.800 260 S HN 0.753 nan 8.310 nan 0.000 0.484 261 H N 1.102 120.218 119.070 0.076 0.000 2.502 261 H HA 0.555 5.112 4.556 0.001 0.000 0.327 261 H C 0.010 175.400 175.328 0.103 0.000 1.099 261 H CA -0.595 55.492 56.048 0.065 0.000 1.323 261 H CB -0.137 29.641 29.762 0.026 0.000 1.450 261 H HN 0.577 nan 8.280 nan 0.000 0.502 262 N N 3.684 122.441 118.700 0.095 0.000 2.414 262 N HA -0.034 4.706 4.740 0.001 0.000 0.268 262 N C -1.489 174.075 175.510 0.090 0.000 1.286 262 N CA -1.256 51.861 53.050 0.111 0.000 0.896 262 N CB 0.774 39.310 38.487 0.082 0.000 1.093 262 N HN 0.449 nan 8.380 nan 0.000 0.480 263 P HA -0.120 nan 4.420 nan 0.000 0.217 263 P C 1.228 178.542 177.300 0.024 0.000 1.150 263 P CA 0.612 63.748 63.100 0.059 0.000 0.832 263 P CB 0.263 31.994 31.700 0.051 0.000 0.787 264 L N -1.248 119.990 121.223 0.025 0.000 2.191 264 L HA -0.144 4.196 4.340 0.001 0.000 0.212 264 L C 2.774 179.670 176.870 0.044 0.000 1.103 264 L CA 1.702 56.566 54.840 0.041 0.000 0.769 264 L CB -2.001 40.067 42.059 0.016 0.000 0.908 264 L HN -0.084 nan 8.230 nan 0.000 0.438 265 L N -2.111 119.132 121.223 0.034 0.000 2.362 265 L HA -0.071 4.269 4.340 0.001 0.000 0.219 265 L C 2.434 179.305 176.870 0.002 0.000 1.134 265 L CA 1.609 56.462 54.840 0.022 0.000 0.807 265 L CB -1.458 40.613 42.059 0.020 0.000 0.927 265 L HN 0.302 nan 8.230 nan 0.000 0.447 266 L N -0.666 120.556 121.223 -0.002 0.000 2.046 266 L HA -0.072 4.268 4.340 0.001 0.000 0.208 266 L C 1.245 178.074 176.870 -0.067 0.000 1.077 266 L CA 0.400 55.221 54.840 -0.031 0.000 0.747 266 L CB -0.309 41.738 42.059 -0.019 0.000 0.896 266 L HN 0.444 nan 8.230 nan 0.000 0.432 267 L N 1.006 122.206 121.223 -0.038 0.000 2.699 267 L HA -0.028 4.312 4.340 0.001 0.000 0.283 267 L C 0.248 177.079 176.870 -0.064 0.000 1.166 267 L CA 0.234 55.033 54.840 -0.068 0.000 1.043 267 L CB -0.619 41.470 42.059 0.050 0.000 1.369 267 L HN 0.054 nan 8.230 nan 0.000 0.462 268 T N 3.036 117.515 114.554 -0.125 0.000 2.885 268 T HA 0.332 4.683 4.350 0.001 0.000 0.285 268 T C -1.635 172.996 174.700 -0.116 0.000 1.019 268 T CA -1.679 60.364 62.100 -0.094 0.000 1.010 268 T CB 2.134 70.950 68.868 -0.088 0.000 1.022 268 T HN 0.150 nan 8.240 nan 0.000 0.466 269 P HA -0.156 nan 4.420 nan 0.000 0.216 269 P C 1.722 178.965 177.300 -0.095 0.000 1.157 269 P CA 1.873 64.927 63.100 -0.076 0.000 0.880 269 P CB 0.193 31.860 31.700 -0.056 0.000 0.791 270 Q N 0.409 120.155 119.800 -0.091 0.000 2.050 270 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 270 Q C 2.164 178.091 176.000 -0.122 0.000 0.980 270 Q CA 2.207 57.958 55.803 -0.086 0.000 0.840 270 Q CB -1.554 27.143 28.738 -0.068 0.000 0.898 270 Q HN 0.270 nan 8.270 nan 0.000 0.424 271 K N -0.506 119.786 120.400 -0.180 0.000 2.057 271 K HA -0.027 4.293 4.320 0.001 0.000 0.206 271 K C 2.172 178.467 176.600 -0.510 0.000 1.050 271 K CA 1.144 57.253 56.287 -0.296 0.000 0.935 271 K CB -0.217 32.077 32.500 -0.345 0.000 0.715 271 K HN 0.322 nan 8.250 nan 0.000 0.439 272 V N 1.937 121.574 119.914 -0.462 0.000 2.392 272 V HA -0.273 3.848 4.120 0.001 0.000 0.249 272 V C 2.027 178.014 176.094 -0.177 0.000 1.059 272 V CA 1.670 63.718 62.300 -0.421 0.000 1.051 272 V CB -0.364 31.323 31.823 -0.226 0.000 0.658 272 V HN 0.307 nan 8.190 nan 0.000 0.455 273 K N -0.227 120.102 120.400 -0.118 0.000 2.147 273 K HA -0.162 4.159 4.320 0.001 0.000 0.205 273 K C 2.368 178.975 176.600 0.010 0.000 1.049 273 K CA 1.279 57.542 56.287 -0.039 0.000 0.936 273 K CB -0.228 32.246 32.500 -0.043 0.000 0.722 273 K HN 0.428 nan 8.250 nan 0.000 0.446 274 R N -0.311 120.194 120.500 0.007 0.000 2.075 274 R HA -0.103 4.237 4.340 0.001 0.000 0.232 274 R C 2.269 178.689 176.300 0.200 0.000 1.126 274 R CA 1.196 57.349 56.100 0.088 0.000 0.963 274 R CB -0.238 30.117 30.300 0.092 0.000 0.858 274 R HN 0.173 nan 8.270 nan 0.000 0.435 275 Y N 0.485 120.758 120.300 -0.046 0.000 2.097 275 Y HA -0.217 4.333 4.550 0.000 0.000 0.282 275 Y C 2.430 178.315 175.900 -0.025 0.000 1.152 275 Y CA 0.596 58.657 58.100 -0.065 0.000 1.136 275 Y CB -1.023 37.373 38.460 -0.106 0.000 0.975 275 Y HN -0.191 nan 8.280 nan 0.000 0.498 276 V N 0.263 120.284 119.914 0.179 0.000 2.332 276 V HA -0.299 3.821 4.120 0.001 0.000 0.248 276 V C 2.586 178.823 176.094 0.238 0.000 1.055 276 V CA 2.429 64.826 62.300 0.162 0.000 1.038 276 V CB -1.409 30.497 31.823 0.138 0.000 0.651 276 V HN 0.569 nan 8.190 nan 0.000 0.450 277 E N -0.657 119.650 120.200 0.178 0.000 2.051 277 E HA -0.283 4.067 4.350 0.001 0.000 0.192 277 E C 2.423 179.118 176.600 0.159 0.000 0.991 277 E CA 1.761 58.259 56.400 0.163 0.000 0.799 277 E CB -1.018 28.731 29.700 0.080 0.000 0.748 277 E HN 0.570 nan 8.360 nan 0.000 0.449 278 S N -0.276 115.488 115.700 0.107 0.000 2.356 278 S HA -0.077 4.393 4.470 0.001 0.000 0.223 278 S C 2.166 176.794 174.600 0.046 0.000 1.032 278 S CA 1.338 59.575 58.200 0.062 0.000 1.005 278 S CB -0.395 62.819 63.200 0.022 0.000 0.867 278 S HN 0.507 nan 8.310 nan 0.000 0.449 279 L N -0.775 120.464 121.223 0.026 0.000 2.191 279 L HA -0.076 4.265 4.340 0.001 0.000 0.212 279 L C 2.176 178.993 176.870 -0.090 0.000 1.103 279 L CA 1.016 55.820 54.840 -0.059 0.000 0.769 279 L CB -0.481 41.527 42.059 -0.086 0.000 0.908 279 L HN 0.453 nan 8.230 nan 0.000 0.438 280 W N 0.987 122.268 121.300 -0.032 0.000 2.421 280 W HA -0.207 4.454 4.660 0.000 0.000 0.270 280 W C 2.700 179.195 176.519 -0.041 0.000 1.233 280 W CA 1.419 58.745 57.345 -0.031 0.000 1.226 280 W CB 0.076 29.521 29.460 -0.025 0.000 1.121 280 W HN 0.083 nan 8.180 nan 0.000 0.579 281 K N 1.151 121.639 120.400 0.146 0.000 2.026 281 K HA -0.258 4.063 4.320 0.001 0.000 0.208 281 K C 2.093 178.687 176.600 -0.009 0.000 1.048 281 K CA 1.779 58.114 56.287 0.080 0.000 0.929 281 K CB -0.422 32.105 32.500 0.044 0.000 0.713 281 K HN 0.055 nan 8.250 nan 0.000 0.439 282 K N 1.154 121.496 120.400 -0.097 0.000 2.057 282 K HA -0.206 4.114 4.320 0.001 0.000 0.207 282 K C 2.236 178.684 176.600 -0.253 0.000 1.049 282 K CA 1.686 57.852 56.287 -0.201 0.000 0.931 282 K CB -0.087 32.245 32.500 -0.280 0.000 0.714 282 K HN 0.071 nan 8.250 nan 0.000 0.440 283 K N 0.259 120.482 120.400 -0.294 0.000 2.026 283 K HA -0.137 4.184 4.320 0.001 0.000 0.208 283 K C 2.220 178.697 176.600 -0.205 0.000 1.048 283 K CA 1.716 57.774 56.287 -0.382 0.000 0.929 283 K CB -0.293 31.740 32.500 -0.778 0.000 0.713 283 K HN 0.083 nan 8.250 nan 0.000 0.439 284 S N 0.411 116.091 115.700 -0.034 0.000 2.402 284 S HA -0.144 4.327 4.470 0.001 0.000 0.233 284 S C 1.784 176.424 174.600 0.067 0.000 1.030 284 S CA 1.883 60.163 58.200 0.133 0.000 1.003 284 S CB -0.354 62.987 63.200 0.235 0.000 0.813 284 S HN 0.594 nan 8.310 nan 0.000 0.477 285 S N -0.483 115.226 115.700 0.015 0.000 2.561 285 S HA 0.315 4.786 4.470 0.001 0.000 0.225 285 S C 1.410 176.067 174.600 0.095 0.000 0.977 285 S CA 0.948 59.194 58.200 0.077 0.000 0.926 285 S CB -0.145 63.108 63.200 0.088 0.000 0.769 285 S HN 1.184 nan 8.310 nan 0.000 0.533 286 G N 0.020 108.798 108.800 -0.037 0.000 2.148 286 G HA2 -0.176 3.785 3.960 0.001 0.000 0.203 286 G HA3 -0.176 3.785 3.960 0.001 0.000 0.203 286 G C -0.307 174.506 174.900 -0.145 0.000 0.993 286 G CA -0.194 44.907 45.100 0.002 0.000 0.661 286 G HN 0.583 nan 8.290 nan 0.000 0.518 287 Q N 0.816 120.368 119.800 -0.413 0.000 2.235 287 Q HA 0.520 4.860 4.340 0.001 0.000 0.256 287 Q C -2.251 173.493 176.000 -0.426 0.000 0.951 287 Q CA -1.952 53.516 55.803 -0.560 0.000 0.890 287 Q CB 2.296 30.601 28.738 -0.722 0.000 1.279 287 Q HN 0.248 nan 8.270 nan 0.000 0.444 288 P HA 0.138 nan 4.420 nan 0.000 0.278 288 P C -0.966 176.144 177.300 -0.316 0.000 1.238 288 P CA -0.160 62.751 63.100 -0.314 0.000 0.794 288 P CB 1.059 32.590 31.700 -0.282 0.000 0.955 289 V N 2.221 121.980 119.914 -0.258 0.000 2.769 289 V HA 0.643 4.763 4.120 0.001 0.000 0.312 289 V C 0.682 176.569 176.094 -0.344 0.000 1.061 289 V CA -0.216 61.931 62.300 -0.254 0.000 0.931 289 V CB 1.982 33.688 31.823 -0.195 0.000 1.010 289 V HN 0.906 nan 8.190 nan 0.000 0.433 290 T N -0.482 113.801 114.554 -0.452 0.000 2.696 290 T HA 0.438 4.788 4.350 0.001 0.000 0.291 290 T C 0.448 174.698 174.700 -0.750 0.000 1.095 290 T CA -0.376 61.210 62.100 -0.856 0.000 1.026 290 T CB 1.108 69.757 68.868 -0.365 0.000 1.390 290 T HN 0.248 nan 8.240 nan 0.000 0.513 291 F N 1.075 120.594 119.950 -0.720 0.000 2.269 291 F HA 0.003 4.530 4.527 0.000 0.000 0.301 291 F C 2.523 178.300 175.800 -0.039 0.000 1.082 291 F CA 1.898 59.786 58.000 -0.187 0.000 1.360 291 F CB -0.588 38.389 39.000 -0.039 0.000 1.041 291 F HN 0.692 nan 8.300 nan 0.000 0.512 292 T N -0.224 114.391 114.554 0.101 0.000 2.788 292 T HA -0.208 4.142 4.350 0.001 0.000 0.268 292 T C 1.599 176.384 174.700 0.142 0.000 1.044 292 T CA 1.633 63.839 62.100 0.177 0.000 1.139 292 T CB -0.369 68.585 68.868 0.143 0.000 0.867 292 T HN 0.363 nan 8.240 nan 0.000 0.454 293 D N 0.892 121.350 120.400 0.097 0.000 2.104 293 D HA -0.064 4.576 4.640 0.001 0.000 0.194 293 D C 2.108 178.361 176.300 -0.079 0.000 0.994 293 D CA 1.053 55.108 54.000 0.091 0.000 0.830 293 D CB -0.138 40.633 40.800 -0.050 0.000 0.959 293 D HN 0.372 nan 8.370 nan 0.000 0.452 294 I N 0.414 120.859 120.570 -0.208 0.000 2.179 294 I HA -0.255 3.915 4.170 0.001 0.000 0.242 294 I C 2.376 178.299 176.117 -0.324 0.000 1.088 294 I CA 0.662 61.773 61.300 -0.315 0.000 1.357 294 I CB -0.237 37.431 38.000 -0.554 0.000 1.051 294 I HN -0.081 nan 8.210 nan 0.000 0.409 295 F N 1.934 121.616 119.950 -0.446 0.000 2.134 295 F HA -0.125 4.402 4.527 0.001 0.000 0.299 295 F C 2.303 177.978 175.800 -0.209 0.000 1.097 295 F CA 1.533 59.352 58.000 -0.302 0.000 1.264 295 F CB -0.938 38.012 39.000 -0.083 0.000 1.001 295 F HN -0.009 nan 8.300 nan 0.000 0.479 296 G N 0.576 109.263 108.800 -0.188 0.000 2.446 296 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 296 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 296 G C 1.690 176.341 174.900 -0.415 0.000 1.168 296 G CA 1.119 46.088 45.100 -0.219 0.000 0.771 296 G HN 0.360 nan 8.290 nan 0.000 0.551 297 M N -0.370 118.901 119.600 -0.547 0.000 2.117 297 M HA -0.015 4.466 4.480 0.001 0.000 0.262 297 M C 2.527 178.400 176.300 -0.713 0.000 1.065 297 M CA 0.970 55.708 55.300 -0.937 0.000 1.114 297 M CB -0.581 31.251 32.600 -1.281 0.000 1.361 297 M HN 0.305 nan 8.290 nan 0.000 0.408 298 L N 1.025 121.956 121.223 -0.486 0.000 2.046 298 L HA -0.162 4.178 4.340 0.001 0.000 0.208 298 L C 2.165 178.800 176.870 -0.392 0.000 1.077 298 L CA 1.684 56.365 54.840 -0.264 0.000 0.747 298 L CB -0.702 41.235 42.059 -0.203 0.000 0.896 298 L HN 0.155 nan 8.230 nan 0.000 0.432 299 I N -0.011 120.166 120.570 -0.656 0.000 2.226 299 I HA -0.182 3.988 4.170 0.001 0.000 0.245 299 I C 2.562 178.459 176.117 -0.366 0.000 1.100 299 I CA 1.406 62.325 61.300 -0.635 0.000 1.374 299 I CB -2.189 35.220 38.000 -0.984 0.000 1.057 299 I HN 0.400 nan 8.210 nan 0.000 0.413 300 G N 0.210 108.801 108.800 -0.349 0.000 2.446 300 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 300 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 300 G C 1.618 176.437 174.900 -0.136 0.000 1.168 300 G CA 0.763 45.736 45.100 -0.211 0.000 0.771 300 G HN 0.458 nan 8.290 nan 0.000 0.551 301 E N 0.113 120.211 120.200 -0.170 0.000 2.153 301 E HA -0.170 4.180 4.350 0.001 0.000 0.194 301 E C 2.693 179.309 176.600 0.026 0.000 0.988 301 E CA 1.666 58.044 56.400 -0.036 0.000 0.811 301 E CB -0.143 29.554 29.700 -0.005 0.000 0.746 301 E HN 0.558 nan 8.360 nan 0.000 0.466 302 T N -1.328 113.220 114.554 -0.011 0.000 2.851 302 T HA -0.051 4.299 4.350 0.001 0.000 0.262 302 T C 1.954 176.718 174.700 0.107 0.000 1.043 302 T CA 0.845 62.972 62.100 0.045 0.000 1.140 302 T CB -0.210 68.713 68.868 0.091 0.000 0.872 302 T HN 0.132 nan 8.240 nan 0.000 0.446 303 L N 0.611 121.867 121.223 0.054 0.000 2.168 303 L HA 0.420 4.760 4.340 0.001 0.000 0.203 303 L C 1.778 178.664 176.870 0.027 0.000 1.078 303 L CA 0.701 55.564 54.840 0.038 0.000 0.780 303 L CB -0.171 41.881 42.059 -0.012 0.000 0.939 303 L HN 0.411 nan 8.230 nan 0.000 0.451 304 I N -3.013 117.558 120.570 0.002 0.000 3.061 304 I HA 0.140 4.310 4.170 0.001 0.000 0.341 304 I C 1.564 177.612 176.117 -0.115 0.000 1.457 304 I CA -0.506 60.742 61.300 -0.088 0.000 0.921 304 I CB -0.109 37.856 38.000 -0.058 0.000 1.845 304 I HN 0.162 nan 8.210 nan 0.000 0.535 305 H N 2.084 121.123 119.070 -0.052 0.000 2.489 305 H HA -0.175 4.381 4.556 0.000 0.000 0.295 305 H C 0.996 176.300 175.328 -0.041 0.000 1.082 305 H CA 1.833 57.852 56.048 -0.048 0.000 1.295 305 H CB -0.732 29.008 29.762 -0.038 0.000 1.380 305 H HN 0.806 nan 8.280 nan 0.000 0.548 306 N N 0.992 119.434 118.700 -0.430 0.000 2.336 306 N HA -0.030 4.710 4.740 0.001 0.000 0.189 306 N C 0.516 175.930 175.510 -0.159 0.000 1.113 306 N CA -0.236 52.661 53.050 -0.256 0.000 0.858 306 N CB 0.207 38.499 38.487 -0.326 0.000 0.970 306 N HN 0.427 nan 8.380 nan 0.000 0.471 307 R N -0.468 119.953 120.500 -0.132 0.000 2.522 307 R HA 0.264 4.605 4.340 0.001 0.000 0.314 307 R C 0.287 176.569 176.300 -0.031 0.000 1.178 307 R CA -0.516 55.536 56.100 -0.080 0.000 1.294 307 R CB -0.260 29.982 30.300 -0.098 0.000 1.345 307 R HN 0.010 nan 8.270 nan 0.000 0.710 308 M N 0.520 120.117 119.600 -0.004 0.000 2.346 308 M HA -0.090 4.391 4.480 0.001 0.000 0.263 308 M C 0.305 176.652 176.300 0.078 0.000 1.064 308 M CA 1.526 56.866 55.300 0.066 0.000 1.083 308 M CB -0.870 31.755 32.600 0.043 0.000 1.399 308 M HN 0.397 nan 8.290 nan 0.000 0.435 309 N N -0.335 118.375 118.700 0.017 0.000 2.276 309 N HA 0.034 4.775 4.740 0.001 0.000 0.212 309 N C -0.444 175.049 175.510 -0.028 0.000 1.127 309 N CA -0.133 52.910 53.050 -0.011 0.000 0.834 309 N CB 0.362 38.846 38.487 -0.006 0.000 1.014 309 N HN 0.144 nan 8.380 nan 0.000 0.491 310 T N 0.612 115.151 114.554 -0.026 0.000 2.919 310 T HA 0.153 4.504 4.350 0.001 0.000 0.302 310 T C 0.875 175.551 174.700 -0.042 0.000 1.031 310 T CA -0.106 61.982 62.100 -0.020 0.000 1.127 310 T CB 0.969 69.833 68.868 -0.007 0.000 0.952 310 T HN 0.206 nan 8.240 nan 0.000 0.540 311 T N 0.319 114.862 114.554 -0.018 0.000 2.905 311 T HA 0.472 4.822 4.350 0.001 0.000 0.283 311 T C 1.137 175.838 174.700 0.002 0.000 1.031 311 T CA -1.024 61.062 62.100 -0.022 0.000 1.002 311 T CB 0.892 69.761 68.868 0.003 0.000 1.200 311 T HN 0.237 nan 8.240 nan 0.000 0.560 312 L N 1.019 122.248 121.223 0.010 0.000 2.083 312 L HA 0.072 4.413 4.340 0.001 0.000 0.209 312 L C 2.549 179.450 176.870 0.052 0.000 1.083 312 L CA 1.901 56.761 54.840 0.032 0.000 0.752 312 L CB -1.396 40.709 42.059 0.077 0.000 0.899 312 L HN 0.807 nan 8.230 nan 0.000 0.433 313 S N -0.329 115.407 115.700 0.060 0.000 2.382 313 S HA -0.166 4.304 4.470 0.001 0.000 0.228 313 S C 1.929 176.565 174.600 0.060 0.000 1.027 313 S CA 1.347 59.586 58.200 0.065 0.000 0.991 313 S CB -0.535 62.709 63.200 0.073 0.000 0.823 313 S HN 0.794 nan 8.310 nan 0.000 0.469 314 S N 1.541 117.274 115.700 0.055 0.000 2.537 314 S HA 0.093 4.563 4.470 0.001 0.000 0.240 314 S C 1.422 176.070 174.600 0.080 0.000 0.981 314 S CA 0.479 58.716 58.200 0.060 0.000 0.948 314 S CB -0.602 62.626 63.200 0.047 0.000 0.759 314 S HN 0.443 nan 8.310 nan 0.000 0.531 315 L N 0.112 121.383 121.223 0.081 0.000 2.492 315 L HA 0.151 4.491 4.340 0.001 0.000 0.223 315 L C 2.344 179.262 176.870 0.079 0.000 1.132 315 L CA 0.531 55.442 54.840 0.118 0.000 0.850 315 L CB -0.384 41.749 42.059 0.123 0.000 0.966 315 L HN 0.268 nan 8.230 nan 0.000 0.454 316 K N 0.608 121.032 120.400 0.040 0.000 2.281 316 K HA -0.188 4.132 4.320 0.001 0.000 0.203 316 K C 1.652 178.320 176.600 0.114 0.000 1.046 316 K CA 1.113 57.431 56.287 0.051 0.000 0.938 316 K CB -0.013 32.566 32.500 0.132 0.000 0.737 316 K HN 0.366 nan 8.250 nan 0.000 0.458 317 E N 0.311 120.576 120.200 0.109 0.000 2.409 317 E HA -0.105 4.245 4.350 0.001 0.000 0.198 317 E C 0.879 177.545 176.600 0.110 0.000 1.024 317 E CA 0.675 57.138 56.400 0.104 0.000 0.861 317 E CB 0.292 30.046 29.700 0.090 0.000 0.788 317 E HN 0.114 nan 8.360 nan 0.000 0.521 318 K N 0.053 120.541 120.400 0.147 0.000 2.373 318 K HA 0.112 4.433 4.320 0.001 0.000 0.202 318 K C 0.801 177.504 176.600 0.172 0.000 1.025 318 K CA 0.141 56.518 56.287 0.150 0.000 1.115 318 K CB 1.617 34.282 32.500 0.276 0.000 0.858 318 K HN 0.003 nan 8.250 nan 0.000 0.525 319 V N 1.395 121.416 119.914 0.178 0.000 3.372 319 V HA -0.045 4.075 4.120 0.001 0.000 0.304 319 V C 0.676 176.965 176.094 0.324 0.000 1.530 319 V CA 0.213 62.667 62.300 0.257 0.000 1.080 319 V CB -0.083 31.793 31.823 0.088 0.000 0.929 319 V HN 0.211 nan 8.190 nan 0.000 0.455 320 N N 1.528 120.363 118.700 0.224 0.000 2.205 320 N HA -0.143 4.597 4.740 0.001 0.000 0.186 320 N C 1.166 176.767 175.510 0.153 0.000 1.015 320 N CA 2.249 55.418 53.050 0.198 0.000 0.862 320 N CB -0.634 37.930 38.487 0.129 0.000 0.986 320 N HN 0.621 nan 8.380 nan 0.000 0.429 321 T N -5.105 109.517 114.554 0.113 0.000 3.331 321 T HA 0.676 5.026 4.350 0.001 0.000 0.282 321 T C 0.438 175.142 174.700 0.008 0.000 1.010 321 T CA -0.257 61.868 62.100 0.041 0.000 0.928 321 T CB -0.411 68.455 68.868 -0.004 0.000 1.154 321 T HN 0.496 nan 8.240 nan 0.000 0.516 322 A N 2.412 125.304 122.820 0.121 0.000 2.640 322 A HA -0.212 4.108 4.320 0.001 0.000 0.300 322 A C 1.687 179.253 177.584 -0.029 0.000 1.499 322 A CA 1.198 53.275 52.037 0.068 0.000 0.759 322 A CB -1.924 16.821 19.000 -0.425 0.000 1.048 322 A HN 0.834 nan 8.150 nan 0.000 0.450 323 Q N -1.517 118.290 119.800 0.012 0.000 2.403 323 Q HA 0.217 4.557 4.340 0.001 0.000 0.203 323 Q C 0.519 176.487 176.000 -0.054 0.000 0.932 323 Q CA 0.937 56.667 55.803 -0.123 0.000 0.945 323 Q CB -0.349 28.313 28.738 -0.126 0.000 1.045 323 Q HN 0.933 nan 8.270 nan 0.000 0.511 324 C N 0.427 119.813 119.300 0.143 0.000 3.241 324 C HA 0.612 5.072 4.460 0.001 0.000 0.312 324 C C -2.709 172.546 174.990 0.442 0.000 1.350 324 C CA -1.489 57.672 59.018 0.238 0.000 1.415 324 C CB 2.232 30.142 27.740 0.283 0.000 1.770 324 C HN 0.190 nan 8.230 nan 0.000 0.466 325 P HA 0.271 nan 4.420 nan 0.000 0.274 325 P C -0.874 176.575 177.300 0.248 0.000 1.231 325 P CA -0.388 62.954 63.100 0.404 0.000 0.790 325 P CB 0.390 32.267 31.700 0.295 0.000 0.951 326 L N 5.488 126.685 121.223 -0.042 0.000 2.410 326 L HA 0.294 4.635 4.340 0.001 0.000 0.273 326 L C -2.354 174.389 176.870 -0.211 0.000 1.144 326 L CA -1.735 52.861 54.840 -0.407 0.000 0.863 326 L CB -0.169 41.553 42.059 -0.561 0.000 1.140 326 L HN 0.260 nan 8.230 nan 0.000 0.463 327 P HA 0.289 nan 4.420 nan 0.000 0.281 327 P C -1.209 175.744 177.300 -0.579 0.000 1.252 327 P CA -0.007 62.675 63.100 -0.697 0.000 0.778 327 P CB 0.718 31.806 31.700 -1.021 0.000 0.895 328 L N 4.132 124.930 121.223 -0.708 0.000 2.386 328 L HA 0.602 4.942 4.340 0.001 0.000 0.271 328 L C -0.510 175.884 176.870 -0.793 0.000 0.993 328 L CA -0.657 53.889 54.840 -0.489 0.000 0.819 328 L CB 1.263 43.149 42.059 -0.288 0.000 1.294 328 L HN 0.284 nan 8.230 nan 0.000 0.414 329 F N -0.162 119.586 119.950 -0.337 0.000 2.620 329 F HA 0.772 5.300 4.527 0.000 0.000 0.320 329 F C 0.271 175.844 175.800 -0.379 0.000 1.069 329 F CA -0.774 56.812 58.000 -0.691 0.000 0.953 329 F CB 2.319 40.364 39.000 -1.592 0.000 1.322 329 F HN 0.285 nan 8.300 nan 0.000 0.479 330 T N -0.059 114.312 114.554 -0.305 0.000 2.843 330 T HA 0.735 5.085 4.350 0.001 0.000 0.302 330 T C -1.344 173.380 174.700 0.040 0.000 1.232 330 T CA -0.423 61.720 62.100 0.072 0.000 1.009 330 T CB 1.222 70.207 68.868 0.195 0.000 1.254 330 T HN 1.173 nan 8.240 nan 0.000 0.504 331 C N 2.410 121.832 119.300 0.203 0.000 3.293 331 C HA 0.864 5.324 4.460 0.001 0.000 0.362 331 C C -1.874 173.076 174.990 -0.066 0.000 1.539 331 C CA -0.998 58.080 59.018 0.100 0.000 1.201 331 C CB 0.027 27.943 27.740 0.293 0.000 1.770 331 C HN 0.935 nan 8.230 nan 0.000 0.440 332 L N 1.095 122.246 121.223 -0.120 0.000 2.333 332 L HA 0.531 4.872 4.340 0.001 0.000 0.269 332 L C -0.895 176.026 176.870 0.086 0.000 1.010 332 L CA -0.365 54.369 54.840 -0.176 0.000 0.818 332 L CB 1.705 43.541 42.059 -0.372 0.000 1.306 332 L HN 0.934 nan 8.230 nan 0.000 0.430 333 H N 1.657 120.749 119.070 0.038 0.000 2.638 333 H HA 0.435 4.991 4.556 0.000 0.000 0.303 333 H C -1.406 173.975 175.328 0.088 0.000 1.034 333 H CA -0.634 55.477 56.048 0.106 0.000 1.225 333 H CB 0.999 30.850 29.762 0.149 0.000 1.394 333 H HN 0.169 nan 8.280 nan 0.000 0.477 334 V N 7.063 126.915 119.914 -0.104 0.000 2.320 334 V HA 0.168 4.288 4.120 0.001 0.000 0.265 334 V C 0.323 176.310 176.094 -0.179 0.000 1.048 334 V CA -0.906 61.306 62.300 -0.146 0.000 0.865 334 V CB 0.236 32.030 31.823 -0.049 0.000 1.043 334 V HN 0.703 nan 8.190 nan 0.000 0.474 335 K N 6.978 127.209 120.400 -0.283 0.000 2.414 335 K HA 0.124 4.445 4.320 0.001 0.000 0.272 335 K C -1.219 175.367 176.600 -0.024 0.000 0.993 335 K CA -1.108 55.094 56.287 -0.142 0.000 0.964 335 K CB 0.808 33.244 32.500 -0.106 0.000 0.925 335 K HN 0.317 nan 8.250 nan 0.000 0.487 336 P HA -0.199 nan 4.420 nan 0.000 0.218 336 P C 0.955 178.256 177.300 0.002 0.000 1.148 336 P CA 1.812 64.933 63.100 0.035 0.000 0.822 336 P CB 0.064 31.810 31.700 0.077 0.000 0.784 337 D N 0.750 121.150 120.400 0.001 0.000 2.146 337 D HA -0.027 4.614 4.640 0.001 0.000 0.209 337 D C 1.169 177.465 176.300 -0.007 0.000 0.973 337 D CA 0.478 54.475 54.000 -0.005 0.000 0.860 337 D CB -1.051 39.745 40.800 -0.007 0.000 1.015 337 D HN 0.102 nan 8.370 nan 0.000 0.465 338 V N 0.916 120.827 119.914 -0.005 0.000 2.798 338 V HA 0.285 4.405 4.120 0.001 0.000 0.295 338 V C 1.674 177.786 176.094 0.030 0.000 1.066 338 V CA 1.369 63.680 62.300 0.018 0.000 1.244 338 V CB -0.146 31.701 31.823 0.041 0.000 0.829 338 V HN 0.607 nan 8.190 nan 0.000 0.464 339 S N 5.158 120.884 115.700 0.042 0.000 2.425 339 S HA 0.121 4.592 4.470 0.001 0.000 0.225 339 S C 1.053 175.703 174.600 0.082 0.000 1.024 339 S CA 0.491 58.718 58.200 0.045 0.000 0.951 339 S CB 0.054 63.275 63.200 0.035 0.000 0.796 339 S HN 0.793 nan 8.310 nan 0.000 0.498 340 E N 0.999 121.299 120.200 0.166 0.000 2.156 340 E HA 0.426 4.776 4.350 0.001 0.000 0.279 340 E C 0.375 177.097 176.600 0.202 0.000 0.965 340 E CA -0.385 56.140 56.400 0.208 0.000 0.789 340 E CB 1.431 31.347 29.700 0.360 0.000 1.098 340 E HN 0.382 nan 8.360 nan 0.000 0.397 341 L N 3.365 124.645 121.223 0.095 0.000 2.291 341 L HA -0.103 4.238 4.340 0.001 0.000 0.214 341 L C 2.182 179.097 176.870 0.074 0.000 1.120 341 L CA 0.546 55.419 54.840 0.056 0.000 0.799 341 L CB -0.229 41.820 42.059 -0.018 0.000 0.925 341 L HN 0.521 nan 8.230 nan 0.000 0.446 342 M N -0.662 118.960 119.600 0.037 0.000 2.629 342 M HA -0.152 4.328 4.480 0.001 0.000 0.257 342 M C 1.170 177.447 176.300 -0.038 0.000 1.071 342 M CA 1.777 57.093 55.300 0.027 0.000 1.077 342 M CB -0.302 32.216 32.600 -0.137 0.000 1.423 342 M HN 0.072 nan 8.290 nan 0.000 0.508 343 F N -0.466 119.616 119.950 0.221 0.000 2.721 343 F HA 0.445 4.973 4.527 0.001 0.000 0.301 343 F C 1.343 177.268 175.800 0.208 0.000 1.096 343 F CA -0.361 57.764 58.000 0.209 0.000 1.308 343 F CB -0.290 38.785 39.000 0.125 0.000 1.086 343 F HN 0.057 nan 8.300 nan 0.000 0.587 344 A N 0.277 123.273 122.820 0.293 0.000 2.406 344 A HA 0.131 4.452 4.320 0.001 0.000 0.243 344 A C -0.090 177.667 177.584 0.288 0.000 1.082 344 A CA -0.289 51.856 52.037 0.179 0.000 0.786 344 A CB 0.059 19.067 19.000 0.014 0.000 1.029 344 A HN 0.103 nan 8.150 nan 0.000 0.495 345 D N -0.103 120.454 120.400 0.263 0.000 2.255 345 D HA 0.284 4.924 4.640 0.001 0.000 0.249 345 D C -0.919 175.570 176.300 0.315 0.000 1.078 345 D CA 0.385 54.621 54.000 0.392 0.000 0.896 345 D CB 0.781 41.857 40.800 0.459 0.000 1.194 345 D HN 0.497 nan 8.370 nan 0.000 0.429 346 W N 0.950 122.336 121.300 0.143 0.000 2.376 346 W HA 0.362 5.022 4.660 0.000 0.000 0.322 346 W C -0.135 176.451 176.519 0.112 0.000 1.160 346 W CA -0.591 56.797 57.345 0.073 0.000 1.218 346 W CB 0.918 30.352 29.460 -0.043 0.000 1.205 346 W HN -0.051 nan 8.180 nan 0.000 0.559 347 V N 3.281 123.377 119.914 0.304 0.000 2.448 347 V HA 0.295 4.415 4.120 0.001 0.000 0.295 347 V C -0.106 176.149 176.094 0.267 0.000 1.025 347 V CA -1.248 61.178 62.300 0.211 0.000 0.859 347 V CB 1.089 33.029 31.823 0.195 0.000 0.988 347 V HN 0.543 nan 8.190 nan 0.000 0.431 348 E N 3.986 124.261 120.200 0.125 0.000 2.248 348 E HA 0.746 5.096 4.350 0.001 0.000 0.272 348 E C -1.704 174.938 176.600 0.069 0.000 1.008 348 E CA -0.628 55.902 56.400 0.216 0.000 0.856 348 E CB 1.782 31.591 29.700 0.182 0.000 1.120 348 E HN 0.382 nan 8.360 nan 0.000 0.397 349 F N 0.828 120.843 119.950 0.108 0.000 2.561 349 F HA 0.460 4.988 4.527 0.001 0.000 0.313 349 F C -0.098 175.808 175.800 0.177 0.000 1.126 349 F CA -0.591 57.495 58.000 0.144 0.000 0.918 349 F CB 2.441 41.601 39.000 0.266 0.000 1.199 349 F HN 0.687 nan 8.300 nan 0.000 0.444 350 S N 1.912 117.776 115.700 0.273 0.000 2.638 350 S HA 0.608 5.078 4.470 0.001 0.000 0.274 350 S C -2.759 171.873 174.600 0.054 0.000 1.157 350 S CA -1.582 56.697 58.200 0.132 0.000 0.826 350 S CB 2.266 65.470 63.200 0.006 0.000 1.139 350 S HN 0.185 nan 8.310 nan 0.000 0.474 351 P HA 0.014 nan 4.420 nan 0.000 0.221 351 P C 0.442 177.666 177.300 -0.128 0.000 1.145 351 P CA 1.228 64.222 63.100 -0.178 0.000 0.795 351 P CB -0.201 31.270 31.700 -0.382 0.000 0.775 352 Y N -0.532 119.788 120.300 0.033 0.000 2.436 352 Y HA 0.100 4.651 4.550 0.001 0.000 0.288 352 Y C 1.204 177.110 175.900 0.010 0.000 1.112 352 Y CA -0.241 57.868 58.100 0.015 0.000 1.220 352 Y CB 0.376 38.829 38.460 -0.012 0.000 1.073 352 Y HN 0.057 nan 8.280 nan 0.000 0.552 353 E N -0.476 119.809 120.200 0.143 0.000 2.439 353 E HA 0.580 4.931 4.350 0.001 0.000 0.279 353 E C -1.707 174.913 176.600 0.033 0.000 1.077 353 E CA -0.920 55.529 56.400 0.083 0.000 0.849 353 E CB 1.684 31.419 29.700 0.058 0.000 1.408 353 E HN -0.036 nan 8.360 nan 0.000 0.457 354 I N -0.031 120.516 120.570 -0.038 0.000 2.656 354 I HA 0.760 4.931 4.170 0.001 0.000 0.292 354 I C -0.202 175.775 176.117 -0.233 0.000 1.144 354 I CA -0.499 60.614 61.300 -0.312 0.000 1.038 354 I CB 2.224 39.841 38.000 -0.638 0.000 1.244 354 I HN 0.840 nan 8.210 nan 0.000 0.420 355 G N 5.088 113.716 108.800 -0.288 0.000 2.320 355 G HA2 0.401 4.361 3.960 0.001 0.000 0.296 355 G HA3 0.401 4.361 3.960 0.001 0.000 0.296 355 G C -1.651 173.017 174.900 -0.386 0.000 1.306 355 G CA -0.874 43.936 45.100 -0.483 0.000 0.836 355 G HN 0.345 nan 8.290 nan 0.000 0.517 356 M N 1.754 121.066 119.600 -0.479 0.000 2.060 356 M HA 0.421 4.902 4.480 0.001 0.000 0.342 356 M C 1.221 177.324 176.300 -0.330 0.000 1.031 356 M CA -0.584 54.600 55.300 -0.193 0.000 0.981 356 M CB 1.669 34.310 32.600 0.069 0.000 1.376 356 M HN 0.766 nan 8.290 nan 0.000 0.397 357 A N 2.451 125.201 122.820 -0.117 0.000 2.234 357 A HA -0.084 4.237 4.320 0.001 0.000 0.216 357 A C 2.044 179.626 177.584 -0.003 0.000 1.167 357 A CA 1.319 53.425 52.037 0.114 0.000 0.698 357 A CB -0.247 18.930 19.000 0.295 0.000 0.779 357 A HN 0.712 nan 8.150 nan 0.000 0.475 358 K N -1.356 118.919 120.400 -0.209 0.000 2.116 358 K HA -0.037 4.283 4.320 0.001 0.000 0.203 358 K C 0.133 176.458 176.600 -0.458 0.000 1.052 358 K CA 1.025 57.060 56.287 -0.421 0.000 0.952 358 K CB -0.055 31.971 32.500 -0.789 0.000 0.729 358 K HN 0.656 nan 8.250 nan 0.000 0.446 359 Y N 0.118 120.463 120.300 0.074 0.000 2.681 359 Y HA 0.278 4.829 4.550 0.001 0.000 0.267 359 Y C 0.869 176.812 175.900 0.072 0.000 1.166 359 Y CA -0.783 57.362 58.100 0.075 0.000 1.209 359 Y CB 0.084 38.594 38.460 0.083 0.000 1.161 359 Y HN 0.094 nan 8.280 nan 0.000 0.534 360 G N 1.422 110.294 108.800 0.120 0.000 2.441 360 G HA2 -0.286 3.674 3.960 0.001 0.000 0.298 360 G HA3 -0.286 3.674 3.960 0.001 0.000 0.298 360 G C -0.010 174.953 174.900 0.104 0.000 0.949 360 G CA 0.984 46.200 45.100 0.194 0.000 1.072 360 G HN 0.294 nan 8.290 nan 0.000 0.512 361 T N -0.021 114.351 114.554 -0.303 0.000 2.833 361 T HA 0.647 4.997 4.350 0.001 0.000 0.297 361 T C -0.457 173.744 174.700 -0.832 0.000 1.015 361 T CA -0.249 61.654 62.100 -0.328 0.000 0.963 361 T CB 0.825 69.676 68.868 -0.029 0.000 0.955 361 T HN 0.264 nan 8.240 nan 0.000 0.449 362 F N 2.504 122.297 119.950 -0.262 0.000 2.640 362 F HA 0.792 5.320 4.527 0.000 0.000 0.324 362 F C 0.077 175.686 175.800 -0.319 0.000 1.077 362 F CA -1.355 56.479 58.000 -0.277 0.000 0.965 362 F CB 1.822 40.725 39.000 -0.162 0.000 1.351 362 F HN 0.374 nan 8.300 nan 0.000 0.487 363 M N 0.710 120.279 119.600 -0.052 0.000 2.682 363 M HA 0.844 5.324 4.480 0.001 0.000 0.272 363 M C -1.717 174.600 176.300 0.029 0.000 1.232 363 M CA -1.092 54.181 55.300 -0.045 0.000 0.849 363 M CB 1.799 34.333 32.600 -0.110 0.000 1.695 363 M HN 0.633 nan 8.290 nan 0.000 0.481 364 A N 1.192 124.054 122.820 0.069 0.000 2.386 364 A HA 0.565 4.885 4.320 0.001 0.000 0.248 364 A C -2.056 175.592 177.584 0.108 0.000 1.082 364 A CA -1.198 50.891 52.037 0.086 0.000 0.789 364 A CB -0.520 18.531 19.000 0.085 0.000 1.025 364 A HN 0.746 nan 8.150 nan 0.000 0.490 365 P HA -0.196 nan 4.420 nan 0.000 0.216 365 P C 0.664 178.075 177.300 0.185 0.000 1.150 365 P CA 1.721 64.904 63.100 0.138 0.000 0.843 365 P CB -0.017 31.759 31.700 0.127 0.000 0.787 366 D N -1.505 118.984 120.400 0.147 0.000 2.392 366 D HA -0.103 4.537 4.640 0.001 0.000 0.228 366 D C 1.329 177.728 176.300 0.166 0.000 1.003 366 D CA 0.808 54.892 54.000 0.140 0.000 0.917 366 D CB -0.775 40.081 40.800 0.093 0.000 0.890 366 D HN 0.121 nan 8.370 nan 0.000 0.532 367 L N -0.903 120.447 121.223 0.211 0.000 2.556 367 L HA 0.308 4.648 4.340 0.001 0.000 0.226 367 L C 0.307 177.419 176.870 0.403 0.000 1.089 367 L CA -0.303 54.700 54.840 0.270 0.000 0.864 367 L CB -0.619 41.628 42.059 0.313 0.000 1.067 367 L HN 0.011 nan 8.230 nan 0.000 0.477 368 F N 0.583 120.651 119.950 0.197 0.000 2.538 368 F HA 0.366 4.894 4.527 0.000 0.000 0.382 368 F C 1.362 177.329 175.800 0.278 0.000 1.069 368 F CA 1.085 59.210 58.000 0.207 0.000 1.138 368 F CB 0.172 39.258 39.000 0.143 0.000 1.068 368 F HN 0.225 nan 8.300 nan 0.000 0.556 369 G N 2.698 111.438 108.800 -0.100 0.000 2.391 369 G HA2 -0.235 3.725 3.960 0.001 0.000 0.204 369 G HA3 -0.235 3.725 3.960 0.001 0.000 0.204 369 G C 0.341 175.434 174.900 0.321 0.000 1.012 369 G CA -0.086 44.978 45.100 -0.059 0.000 0.651 369 G HN 0.728 nan 8.290 nan 0.000 0.494 370 S N 0.687 116.650 115.700 0.440 0.000 2.587 370 S HA 0.430 4.900 4.470 0.001 0.000 0.260 370 S C 0.359 175.231 174.600 0.453 0.000 1.353 370 S CA 0.272 58.727 58.200 0.425 0.000 0.995 370 S CB 1.262 64.495 63.200 0.055 0.000 0.912 370 S HN 0.547 nan 8.310 nan 0.000 0.568 371 K N 0.723 121.201 120.400 0.130 0.000 2.183 371 K HA 0.441 4.761 4.320 0.001 0.000 0.274 371 K C -1.404 175.196 176.600 -0.000 0.000 1.009 371 K CA -0.147 56.159 56.287 0.031 0.000 0.888 371 K CB 0.404 32.758 32.500 -0.242 0.000 1.078 371 K HN 0.431 nan 8.250 nan 0.000 0.459 372 F N 2.862 122.863 119.950 0.085 0.000 2.594 372 F HA 0.570 5.097 4.527 0.000 0.000 0.335 372 F C -0.640 175.308 175.800 0.246 0.000 1.058 372 F CA -0.971 57.118 58.000 0.149 0.000 0.981 372 F CB 1.473 40.585 39.000 0.187 0.000 1.289 372 F HN 0.390 nan 8.300 nan 0.000 0.490 373 F N 2.440 122.544 119.950 0.257 0.000 2.881 373 F HA 0.350 4.877 4.527 0.000 0.000 0.348 373 F C -0.381 175.522 175.800 0.172 0.000 1.240 373 F CA -1.332 56.767 58.000 0.165 0.000 1.130 373 F CB 0.916 39.974 39.000 0.097 0.000 1.417 373 F HN 0.514 nan 8.300 nan 0.000 0.585 374 M N 5.000 124.423 119.600 -0.296 0.000 2.653 374 M HA -0.208 4.273 4.480 0.001 0.000 0.203 374 M C 1.084 177.414 176.300 0.050 0.000 0.502 374 M CA 1.356 56.504 55.300 -0.253 0.000 0.601 374 M CB -1.962 30.363 32.600 -0.459 0.000 2.228 374 M HN 1.455 nan 8.290 nan 0.000 0.711 375 G N -1.208 107.725 108.800 0.222 0.000 2.176 375 G HA2 -0.236 3.724 3.960 0.001 0.000 0.253 375 G HA3 -0.236 3.724 3.960 0.001 0.000 0.253 375 G C 0.011 175.121 174.900 0.351 0.000 0.979 375 G CA 0.602 45.907 45.100 0.343 0.000 0.641 375 G HN 0.510 nan 8.290 nan 0.000 0.530 376 T N 0.905 115.625 114.554 0.277 0.000 2.797 376 T HA 0.571 4.921 4.350 0.001 0.000 0.279 376 T C 0.464 175.173 174.700 0.016 0.000 0.991 376 T CA 0.175 62.367 62.100 0.152 0.000 0.979 376 T CB 2.236 71.173 68.868 0.116 0.000 0.943 376 T HN 1.375 nan 8.240 nan 0.000 0.444 377 V N 3.664 123.410 119.914 -0.281 0.000 2.572 377 V HA 0.321 4.441 4.120 0.001 0.000 0.291 377 V C 1.138 177.065 176.094 -0.278 0.000 1.039 377 V CA -0.013 61.915 62.300 -0.620 0.000 1.055 377 V CB 0.439 31.818 31.823 -0.740 0.000 0.969 377 V HN 0.786 nan 8.190 nan 0.000 0.482 378 V N 1.197 120.973 119.914 -0.230 0.000 2.795 378 V HA 0.516 4.637 4.120 0.001 0.000 0.243 378 V C 0.996 176.952 176.094 -0.229 0.000 1.069 378 V CA 1.024 63.235 62.300 -0.149 0.000 1.089 378 V CB -1.001 30.778 31.823 -0.073 0.000 0.756 378 V HN 1.273 nan 8.190 nan 0.000 0.471 379 K N 1.072 121.281 120.400 -0.319 0.000 2.545 379 K HA 0.653 4.973 4.320 0.001 0.000 0.252 379 K C -0.661 175.535 176.600 -0.674 0.000 0.948 379 K CA -0.599 55.420 56.287 -0.446 0.000 0.827 379 K CB 1.357 33.601 32.500 -0.428 0.000 1.128 379 K HN 0.507 nan 8.250 nan 0.000 0.429 380 K N 2.802 122.871 120.400 -0.552 0.000 2.240 380 K HA 0.537 4.858 4.320 0.001 0.000 0.271 380 K C -1.020 175.301 176.600 -0.465 0.000 1.018 380 K CA -0.433 55.574 56.287 -0.466 0.000 0.874 380 K CB 0.381 32.731 32.500 -0.250 0.000 1.098 380 K HN 0.605 nan 8.250 nan 0.000 0.458 381 Y N 1.260 121.545 120.300 -0.025 0.000 2.480 381 Y HA 0.189 4.739 4.550 0.000 0.000 0.323 381 Y C 0.753 176.642 175.900 -0.018 0.000 1.267 381 Y CA -0.789 57.298 58.100 -0.021 0.000 1.336 381 Y CB 0.534 38.983 38.460 -0.019 0.000 1.361 381 Y HN 0.567 nan 8.280 nan 0.000 0.518 382 E N 1.019 121.312 120.200 0.155 0.000 2.404 382 E HA -0.029 4.321 4.350 0.001 0.000 0.261 382 E C -0.559 176.085 176.600 0.073 0.000 1.074 382 E CA -0.312 56.132 56.400 0.073 0.000 0.917 382 E CB 0.551 30.274 29.700 0.039 0.000 0.965 382 E HN 0.581 nan 8.360 nan 0.000 0.433 383 E N 2.576 122.810 120.200 0.057 0.000 2.414 383 E HA -0.055 4.296 4.350 0.001 0.000 0.263 383 E C -0.672 175.943 176.600 0.026 0.000 1.000 383 E CA 0.012 56.453 56.400 0.069 0.000 0.914 383 E CB 0.438 30.179 29.700 0.069 0.000 0.948 383 E HN 0.415 nan 8.360 nan 0.000 0.444 384 N N 4.527 123.257 118.700 0.049 0.000 2.454 384 N HA 0.050 4.791 4.740 0.001 0.000 0.254 384 N C -2.431 173.048 175.510 -0.051 0.000 1.228 384 N CA -0.965 52.080 53.050 -0.009 0.000 0.900 384 N CB 0.600 39.191 38.487 0.174 0.000 1.089 384 N HN 0.326 nan 8.380 nan 0.000 0.449 385 P HA -0.032 nan 4.420 nan 0.000 0.272 385 P C 0.573 177.673 177.300 -0.332 0.000 1.223 385 P CA -0.408 62.486 63.100 -0.343 0.000 0.784 385 P CB 0.633 31.883 31.700 -0.750 0.000 0.923 386 L N 2.889 123.954 121.223 -0.263 0.000 2.079 386 L HA -0.203 4.138 4.340 0.001 0.000 0.210 386 L C 2.294 179.012 176.870 -0.253 0.000 1.081 386 L CA 1.810 56.516 54.840 -0.225 0.000 0.752 386 L CB -1.457 40.537 42.059 -0.107 0.000 0.896 386 L HN 0.526 nan 8.230 nan 0.000 0.433 387 H N -2.777 116.223 119.070 -0.117 0.000 2.489 387 H HA -0.214 4.342 4.556 0.001 0.000 0.293 387 H C 2.034 177.277 175.328 -0.141 0.000 1.066 387 H CA 1.392 57.349 56.048 -0.152 0.000 1.305 387 H CB -0.751 28.907 29.762 -0.172 0.000 1.386 387 H HN 0.451 nan 8.280 nan 0.000 0.551 388 F N 2.374 122.143 119.950 -0.302 0.000 2.128 388 F HA -0.006 4.521 4.527 0.000 0.000 0.295 388 F C 2.258 177.873 175.800 -0.308 0.000 1.100 388 F CA 0.674 58.559 58.000 -0.192 0.000 1.260 388 F CB -0.613 38.256 39.000 -0.219 0.000 1.009 388 F HN 0.042 nan 8.300 nan 0.000 0.476 389 L N -0.263 120.545 121.223 -0.691 0.000 2.046 389 L HA -0.274 4.067 4.340 0.001 0.000 0.208 389 L C 2.609 178.624 176.870 -1.425 0.000 1.077 389 L CA 1.633 55.639 54.840 -1.390 0.000 0.747 389 L CB -0.723 40.324 42.059 -1.687 0.000 0.896 389 L HN 0.225 nan 8.230 nan 0.000 0.432 390 M N -0.473 118.712 119.600 -0.693 0.000 2.106 390 M HA -0.183 4.297 4.480 0.001 0.000 0.259 390 M C 2.323 178.732 176.300 0.180 0.000 1.068 390 M CA 2.057 57.365 55.300 0.014 0.000 1.100 390 M CB -0.943 31.704 32.600 0.078 0.000 1.351 390 M HN 0.390 nan 8.290 nan 0.000 0.404 391 G N -0.385 108.393 108.800 -0.037 0.000 2.421 391 G HA2 -0.159 3.801 3.960 0.001 0.000 0.216 391 G HA3 -0.159 3.801 3.960 0.001 0.000 0.216 391 G C 1.445 176.412 174.900 0.111 0.000 1.171 391 G CA 0.953 46.155 45.100 0.169 0.000 0.775 391 G HN 0.330 nan 8.290 nan 0.000 0.543 392 V N -0.160 119.565 119.914 -0.315 0.000 2.343 392 V HA -0.150 3.971 4.120 0.001 0.000 0.247 392 V C 2.589 178.657 176.094 -0.044 0.000 1.051 392 V CA 1.530 63.654 62.300 -0.294 0.000 1.036 392 V CB -0.585 30.874 31.823 -0.606 0.000 0.654 392 V HN 0.520 nan 8.190 nan 0.000 0.451 393 W N 0.556 121.819 121.300 -0.062 0.000 2.392 393 W HA 0.066 4.727 4.660 0.000 0.000 0.279 393 W C 1.970 178.532 176.519 0.071 0.000 1.225 393 W CA 1.295 58.606 57.345 -0.057 0.000 1.233 393 W CB -0.878 28.527 29.460 -0.090 0.000 1.122 393 W HN 0.407 nan 8.180 nan 0.000 0.561 394 G N -0.802 108.312 108.800 0.524 0.000 4.144 394 G HA2 0.115 4.075 3.960 0.001 0.000 0.297 394 G HA3 0.115 4.075 3.960 0.001 0.000 0.297 394 G C 1.030 176.303 174.900 0.622 0.000 1.090 394 G CA 0.325 45.803 45.100 0.631 0.000 0.870 394 G HN 0.057 nan 8.290 nan 0.000 0.532 395 S N -0.215 115.685 115.700 0.333 0.000 2.528 395 S HA 0.014 4.484 4.470 0.001 0.000 0.244 395 S C 2.370 177.015 174.600 0.076 0.000 0.982 395 S CA 0.936 59.251 58.200 0.191 0.000 0.953 395 S CB 0.074 63.340 63.200 0.110 0.000 0.754 395 S HN 0.511 nan 8.310 nan 0.000 0.529 396 A N 1.327 124.170 122.820 0.037 0.000 1.972 396 A HA 0.092 4.413 4.320 0.001 0.000 0.219 396 A C 1.707 179.166 177.584 -0.208 0.000 1.169 396 A CA 1.144 53.090 52.037 -0.151 0.000 0.635 396 A CB -0.949 17.865 19.000 -0.311 0.000 0.810 396 A HN 0.577 nan 8.150 nan 0.000 0.446 397 F N 0.852 120.812 119.950 0.018 0.000 2.407 397 F HA -0.093 4.435 4.527 0.001 0.000 0.299 397 F C 2.770 178.430 175.800 -0.234 0.000 1.097 397 F CA 1.240 59.213 58.000 -0.044 0.000 1.422 397 F CB -0.139 38.844 39.000 -0.028 0.000 1.067 397 F HN 0.345 nan 8.300 nan 0.000 0.539 398 S N 0.039 115.629 115.700 -0.182 0.000 2.425 398 S HA -0.057 4.414 4.470 0.001 0.000 0.225 398 S C 1.908 176.498 174.600 -0.017 0.000 1.024 398 S CA 0.585 58.762 58.200 -0.039 0.000 0.951 398 S CB -0.822 62.462 63.200 0.141 0.000 0.796 398 S HN 0.391 nan 8.310 nan 0.000 0.498 399 I N 1.079 121.637 120.570 -0.019 0.000 2.252 399 I HA 0.001 4.171 4.170 0.001 0.000 0.245 399 I C 1.160 177.253 176.117 -0.041 0.000 1.102 399 I CA 1.179 62.456 61.300 -0.038 0.000 1.385 399 I CB -0.191 37.786 38.000 -0.039 0.000 1.064 399 I HN 0.254 nan 8.210 nan 0.000 0.414 400 L N -0.218 121.003 121.223 -0.004 0.000 3.034 400 L HA 0.120 4.460 4.340 0.001 0.000 0.245 400 L C 1.254 178.127 176.870 0.004 0.000 1.295 400 L CA -0.372 54.471 54.840 0.006 0.000 1.068 400 L CB -0.025 42.098 42.059 0.107 0.000 1.426 400 L HN 0.100 nan 8.230 nan 0.000 0.531 401 F N 1.991 121.848 119.950 -0.156 0.000 2.216 401 F HA -0.200 4.328 4.527 0.000 0.000 0.300 401 F C 2.411 178.101 175.800 -0.183 0.000 1.085 401 F CA 1.559 59.493 58.000 -0.110 0.000 1.326 401 F CB -0.030 38.898 39.000 -0.119 0.000 1.027 401 F HN 0.455 nan 8.300 nan 0.000 0.497 402 N N 0.767 119.252 118.700 -0.357 0.000 2.036 402 N HA -0.254 4.487 4.740 0.001 0.000 0.195 402 N C 1.823 177.024 175.510 -0.514 0.000 1.037 402 N CA 1.546 54.213 53.050 -0.638 0.000 0.855 402 N CB -0.872 37.249 38.487 -0.609 0.000 1.033 402 N HN 0.249 nan 8.380 nan 0.000 0.423 403 R N 0.820 121.039 120.500 -0.468 0.000 2.080 403 R HA -0.015 4.326 4.340 0.001 0.000 0.236 403 R C 2.502 178.334 176.300 -0.780 0.000 1.137 403 R CA 1.050 56.761 56.100 -0.650 0.000 0.943 403 R CB -1.388 28.426 30.300 -0.810 0.000 0.846 403 R HN 0.203 nan 8.270 nan 0.000 0.431 404 V N 1.740 121.253 119.914 -0.669 0.000 2.764 404 V HA -0.183 3.937 4.120 0.001 0.000 0.261 404 V C 1.675 177.509 176.094 -0.432 0.000 1.108 404 V CA 1.296 63.347 62.300 -0.415 0.000 1.129 404 V CB -0.592 31.100 31.823 -0.219 0.000 0.701 404 V HN 0.105 nan 8.190 nan 0.000 0.495 416 T N 2.209 116.809 114.554 0.076 0.000 2.856 416 T HA 0.286 4.637 4.350 0.001 0.000 0.306 416 T C 1.588 176.176 174.700 -0.187 0.000 1.062 416 T CA -0.287 61.794 62.100 -0.031 0.000 1.083 416 T CB 0.716 69.537 68.868 -0.077 0.000 0.984 416 T HN 0.702 nan 8.240 nan 0.000 0.542 417 M N 0.383 119.577 119.600 -0.678 0.000 2.175 417 M HA -0.082 4.399 4.480 0.001 0.000 0.264 417 M C 1.895 177.972 176.300 -0.372 0.000 1.063 417 M CA 1.634 56.382 55.300 -0.921 0.000 1.119 417 M CB -0.329 31.433 32.600 -1.396 0.000 1.377 417 M HN 0.769 nan 8.290 nan 0.000 0.415 418 E N 0.660 120.691 120.200 -0.282 0.000 2.110 418 E HA -0.200 4.150 4.350 0.001 0.000 0.193 418 E C 1.758 178.285 176.600 -0.121 0.000 0.988 418 E CA 1.658 57.951 56.400 -0.179 0.000 0.804 418 E CB -0.262 29.342 29.700 -0.160 0.000 0.745 418 E HN 0.621 nan 8.360 nan 0.000 0.458 419 E N 0.445 120.585 120.200 -0.099 0.000 2.047 419 E HA -0.166 4.184 4.350 0.001 0.000 0.191 419 E C 1.908 178.489 176.600 -0.032 0.000 0.987 419 E CA 0.928 57.298 56.400 -0.051 0.000 0.799 419 E CB -0.030 29.656 29.700 -0.022 0.000 0.752 419 E HN 0.226 nan 8.360 nan 0.000 0.449 420 E N 0.656 120.847 120.200 -0.014 0.000 2.153 420 E HA -0.163 4.188 4.350 0.001 0.000 0.194 420 E C 2.165 178.753 176.600 -0.021 0.000 0.988 420 E CA 0.545 56.956 56.400 0.018 0.000 0.811 420 E CB -0.054 29.714 29.700 0.113 0.000 0.746 420 E HN 0.251 nan 8.360 nan 0.000 0.466 421 L N 1.314 122.501 121.223 -0.060 0.000 2.027 421 L HA -0.175 4.165 4.340 0.001 0.000 0.206 421 L C 2.489 179.327 176.870 -0.054 0.000 1.074 421 L CA 1.746 56.542 54.840 -0.073 0.000 0.745 421 L CB -1.057 40.936 42.059 -0.109 0.000 0.898 421 L HN 0.284 nan 8.230 nan 0.000 0.433 422 E N -0.785 119.385 120.200 -0.050 0.000 2.273 422 E HA -0.234 4.116 4.350 0.001 0.000 0.198 422 E C 1.490 178.074 176.600 -0.027 0.000 1.002 422 E CA 1.167 57.545 56.400 -0.037 0.000 0.828 422 E CB -0.242 29.437 29.700 -0.036 0.000 0.747 422 E HN 0.549 nan 8.360 nan 0.000 0.491 423 N N 0.889 119.573 118.700 -0.026 0.000 2.182 423 N HA -0.028 4.712 4.740 0.001 0.000 0.186 423 N C 0.834 176.331 175.510 -0.022 0.000 1.036 423 N CA 0.096 53.134 53.050 -0.020 0.000 0.850 423 N CB -0.345 38.132 38.487 -0.016 0.000 1.010 423 N HN 0.116 nan 8.380 nan 0.000 0.432 424 I N 1.864 122.417 120.570 -0.027 0.000 3.248 424 I HA -0.218 3.953 4.170 0.001 0.000 0.344 424 I C 0.711 176.810 176.117 -0.030 0.000 1.190 424 I CA 1.021 62.302 61.300 -0.032 0.000 1.489 424 I CB 0.166 38.141 38.000 -0.042 0.000 1.285 424 I HN 0.044 nan 8.210 nan 0.000 0.516 425 T N 4.496 119.032 114.554 -0.030 0.000 2.940 425 T HA 0.327 4.677 4.350 0.001 0.000 0.288 425 T C 1.249 175.926 174.700 -0.039 0.000 1.033 425 T CA 0.043 62.127 62.100 -0.027 0.000 1.033 425 T CB 1.398 70.253 68.868 -0.021 0.000 1.079 425 T HN 0.759 nan 8.240 nan 0.000 0.496 426 T N 3.186 117.719 114.554 -0.035 0.000 2.665 426 T HA -0.117 4.233 4.350 0.001 0.000 0.268 426 T C 2.471 177.127 174.700 -0.073 0.000 1.035 426 T CA 2.489 64.558 62.100 -0.053 0.000 1.151 426 T CB -0.660 68.187 68.868 -0.035 0.000 0.862 426 T HN 0.800 nan 8.240 nan 0.000 0.438 427 K N 0.629 120.996 120.400 -0.054 0.000 2.032 427 K HA -0.210 4.110 4.320 0.001 0.000 0.209 427 K C 2.210 178.772 176.600 -0.063 0.000 1.048 427 K CA 2.558 58.811 56.287 -0.057 0.000 0.927 427 K CB -2.152 30.328 32.500 -0.033 0.000 0.712 427 K HN 0.883 nan 8.250 nan 0.000 0.441 428 H N 0.719 119.758 119.070 -0.051 0.000 2.422 428 H HA 0.138 4.695 4.556 0.001 0.000 0.298 428 H C 2.167 177.459 175.328 -0.060 0.000 1.098 428 H CA 2.002 58.022 56.048 -0.047 0.000 1.315 428 H CB -0.629 29.110 29.762 -0.038 0.000 1.382 428 H HN 0.768 nan 8.280 nan 0.000 0.523 429 I N -0.607 119.915 120.570 -0.081 0.000 3.081 429 I HA 0.112 4.282 4.170 0.001 0.000 0.274 429 I C 2.012 178.039 176.117 -0.150 0.000 1.178 429 I CA 1.016 62.260 61.300 -0.092 0.000 1.460 429 I CB -0.201 37.748 38.000 -0.085 0.000 1.137 429 I HN 0.387 nan 8.210 nan 0.000 0.443 430 V N -0.690 119.077 119.914 -0.245 0.000 2.801 430 V HA 0.097 4.218 4.120 0.001 0.000 0.145 430 V C 2.244 178.147 176.094 -0.318 0.000 1.059 430 V CA 1.053 63.031 62.300 -0.537 0.000 1.425 430 V CB -1.066 30.338 31.823 -0.699 0.000 0.956 430 V HN 0.361 nan 8.190 nan 0.000 0.425 431 S N 1.440 116.995 115.700 -0.242 0.000 2.414 431 S HA -0.247 4.223 4.470 0.001 0.000 0.241 431 S C 1.202 175.796 174.600 -0.009 0.000 1.079 431 S CA 2.149 60.331 58.200 -0.030 0.000 1.087 431 S CB -1.579 61.620 63.200 -0.002 0.000 0.927 431 S HN 1.332 nan 8.310 nan 0.000 0.456 461 Q N 2.815 122.602 119.800 -0.022 0.000 2.297 461 Q HA 0.288 4.628 4.340 0.001 0.000 0.204 461 Q C 1.308 177.370 176.000 0.103 0.000 0.962 461 Q CA 1.986 57.838 55.803 0.082 0.000 0.879 461 Q CB 0.088 28.900 28.738 0.124 0.000 0.947 461 Q HN 0.698 nan 8.270 nan 0.000 0.462 462 A N -1.118 121.713 122.820 0.018 0.000 2.238 462 A HA 0.053 4.373 4.320 0.001 0.000 0.208 462 A C 1.923 179.508 177.584 0.001 0.000 1.177 462 A CA 0.794 52.847 52.037 0.027 0.000 0.804 462 A CB -0.093 18.895 19.000 -0.020 0.000 0.823 462 A HN 0.283 nan 8.150 nan 0.000 0.482 463 S N -1.142 114.499 115.700 -0.099 0.000 2.453 463 S HA -0.131 4.339 4.470 0.001 0.000 0.231 463 S C 1.328 175.895 174.600 -0.055 0.000 1.005 463 S CA 0.544 58.659 58.200 -0.142 0.000 0.949 463 S CB -0.424 62.600 63.200 -0.292 0.000 0.774 463 S HN 0.836 nan 8.310 nan 0.000 0.510 464 W N 1.805 123.128 121.300 0.039 0.000 2.363 464 W HA -0.023 4.637 4.660 0.001 0.000 0.296 464 W C 1.844 178.401 176.519 0.063 0.000 1.212 464 W CA 0.243 57.614 57.345 0.043 0.000 1.260 464 W CB -0.375 29.098 29.460 0.021 0.000 1.131 464 W HN 0.251 nan 8.180 nan 0.000 0.530 465 I N -0.664 120.084 120.570 0.297 0.000 2.208 465 I HA -0.369 3.801 4.170 0.001 0.000 0.245 465 I C 2.335 178.601 176.117 0.248 0.000 1.097 465 I CA 1.777 63.214 61.300 0.228 0.000 1.363 465 I CB -0.795 37.323 38.000 0.195 0.000 1.051 465 I HN 0.055 nan 8.210 nan 0.000 0.413 466 H N 1.179 120.350 119.070 0.167 0.000 2.387 466 H HA -0.090 4.466 4.556 0.000 0.000 0.299 466 H C 2.399 177.825 175.328 0.162 0.000 1.090 466 H CA 1.702 57.862 56.048 0.187 0.000 1.332 466 H CB 0.109 29.920 29.762 0.081 0.000 1.386 466 H HN 0.120 nan 8.280 nan 0.000 0.516 467 R N -0.583 120.027 120.500 0.183 0.000 2.066 467 R HA -0.103 4.237 4.340 0.001 0.000 0.232 467 R C 2.474 178.838 176.300 0.107 0.000 1.131 467 R CA 1.339 57.522 56.100 0.139 0.000 0.955 467 R CB -0.255 30.180 30.300 0.224 0.000 0.851 467 R HN 0.368 nan 8.270 nan 0.000 0.432 468 M N 1.083 120.770 119.600 0.144 0.000 2.108 468 M HA -0.176 4.304 4.480 0.001 0.000 0.261 468 M C 1.951 178.277 176.300 0.044 0.000 1.066 468 M CA 1.806 57.160 55.300 0.090 0.000 1.107 468 M CB -0.286 32.370 32.600 0.093 0.000 1.356 468 M HN 0.160 nan 8.290 nan 0.000 0.406 469 I N 0.020 120.623 120.570 0.054 0.000 2.202 469 I HA -0.334 3.836 4.170 0.001 0.000 0.242 469 I C 2.424 178.544 176.117 0.005 0.000 1.091 469 I CA 0.994 62.317 61.300 0.039 0.000 1.368 469 I CB -0.387 37.686 38.000 0.123 0.000 1.058 469 I HN 0.268 nan 8.210 nan 0.000 0.410 470 M N 0.327 119.910 119.600 -0.027 0.000 2.213 470 M HA -0.143 4.337 4.480 0.001 0.000 0.263 470 M C 2.535 178.813 176.300 -0.038 0.000 1.062 470 M CA 1.699 56.973 55.300 -0.043 0.000 1.105 470 M CB -1.360 31.193 32.600 -0.079 0.000 1.385 470 M HN 0.290 nan 8.290 nan 0.000 0.417 471 A N 0.094 122.908 122.820 -0.011 0.000 1.873 471 A HA -0.116 4.204 4.320 0.001 0.000 0.215 471 A C 2.135 179.703 177.584 -0.026 0.000 1.186 471 A CA 1.160 53.194 52.037 -0.006 0.000 0.616 471 A CB -0.714 18.297 19.000 0.019 0.000 0.823 471 A HN 0.347 nan 8.150 nan 0.000 0.442 472 L N -0.193 121.012 121.223 -0.029 0.000 2.083 472 L HA -0.123 4.217 4.340 0.001 0.000 0.209 472 L C 2.589 179.423 176.870 -0.060 0.000 1.083 472 L CA 1.402 56.220 54.840 -0.036 0.000 0.752 472 L CB -0.794 41.245 42.059 -0.034 0.000 0.899 472 L HN 0.221 nan 8.230 nan 0.000 0.433 473 V N -0.750 119.094 119.914 -0.116 0.000 2.307 473 V HA -0.246 3.874 4.120 0.001 0.000 0.245 473 V C 2.577 178.545 176.094 -0.210 0.000 1.045 473 V CA 1.705 63.855 62.300 -0.249 0.000 1.024 473 V CB -0.910 30.620 31.823 -0.488 0.000 0.651 473 V HN 0.657 nan 8.190 nan 0.000 0.449 474 S N 0.814 116.428 115.700 -0.144 0.000 2.383 474 S HA -0.180 4.291 4.470 0.001 0.000 0.227 474 S C 1.862 176.440 174.600 -0.036 0.000 1.026 474 S CA 1.618 59.767 58.200 -0.084 0.000 0.981 474 S CB -1.119 62.053 63.200 -0.047 0.000 0.818 474 S HN 0.675 nan 8.310 nan 0.000 0.472 475 D N 1.790 122.171 120.400 -0.031 0.000 2.182 475 D HA -0.061 4.579 4.640 0.001 0.000 0.201 475 D C 2.106 178.404 176.300 -0.003 0.000 0.986 475 D CA 1.705 55.696 54.000 -0.016 0.000 0.847 475 D CB -0.856 39.932 40.800 -0.021 0.000 0.942 475 D HN 0.780 nan 8.370 nan 0.000 0.467 476 S N -2.339 113.375 115.700 0.024 0.000 2.540 476 S HA 0.508 4.978 4.470 0.001 0.000 0.218 476 S C 1.748 176.494 174.600 0.244 0.000 0.977 476 S CA 1.152 59.411 58.200 0.098 0.000 0.918 476 S CB 0.519 63.820 63.200 0.168 0.000 0.806 476 S HN 1.712 nan 8.310 nan 0.000 0.496 477 A N 0.965 123.864 122.820 0.132 0.000 2.832 477 A HA -0.169 4.152 4.320 0.001 0.000 0.280 477 A C 1.122 178.811 177.584 0.176 0.000 1.464 477 A CA 0.998 53.125 52.037 0.151 0.000 0.804 477 A CB -2.621 16.504 19.000 0.208 0.000 1.020 477 A HN 0.602 nan 8.150 nan 0.000 0.563 478 L N -1.920 119.323 121.223 0.033 0.000 2.012 478 L HA 0.137 4.478 4.340 0.001 0.000 0.210 478 L C 1.041 177.853 176.870 -0.096 0.000 1.073 478 L CA 2.674 57.404 54.840 -0.185 0.000 0.748 478 L CB -0.157 41.753 42.059 -0.248 0.000 0.891 478 L HN 1.162 nan 8.230 nan 0.000 0.431 479 F N -3.172 116.747 119.950 -0.052 0.000 2.725 479 F HA 0.271 4.798 4.527 0.000 0.000 0.309 479 F C -0.577 175.233 175.800 0.015 0.000 1.132 479 F CA -2.079 55.898 58.000 -0.039 0.000 0.957 479 F CB 0.107 39.074 39.000 -0.054 0.000 1.286 479 F HN -0.183 nan 8.300 nan 0.000 0.440 480 N N 1.226 120.100 118.700 0.290 0.000 2.438 480 N HA 0.132 4.872 4.740 0.001 0.000 0.267 480 N C 1.078 176.769 175.510 0.301 0.000 1.222 480 N CA 0.678 53.846 53.050 0.198 0.000 0.930 480 N CB 1.174 39.746 38.487 0.141 0.000 1.083 480 N HN 0.879 nan 8.380 nan 0.000 0.476 481 T N 0.344 115.010 114.554 0.187 0.000 2.969 481 T HA -0.189 4.161 4.350 0.001 0.000 0.271 481 T C 1.815 176.627 174.700 0.188 0.000 1.127 481 T CA 1.693 63.926 62.100 0.221 0.000 1.102 481 T CB -0.496 68.433 68.868 0.102 0.000 0.855 481 T HN 0.604 nan 8.240 nan 0.000 0.536 482 R N 1.501 122.088 120.500 0.145 0.000 2.254 482 R HA 0.284 4.624 4.340 0.001 0.000 0.195 482 R C 1.178 177.536 176.300 0.097 0.000 0.957 482 R CA 0.838 56.999 56.100 0.102 0.000 1.024 482 R CB -0.729 29.615 30.300 0.074 0.000 0.952 482 R HN 0.944 nan 8.270 nan 0.000 0.484 483 E N -0.493 119.781 120.200 0.125 0.000 2.405 483 E HA 0.353 4.703 4.350 0.001 0.000 0.253 483 E C 0.448 177.086 176.600 0.064 0.000 1.257 483 E CA -0.375 56.080 56.400 0.091 0.000 0.960 483 E CB 0.379 30.137 29.700 0.095 0.000 1.077 483 E HN 0.165 nan 8.360 nan 0.000 0.512 484 G N 0.114 108.944 108.800 0.049 0.000 2.305 484 G HA2 -0.018 3.942 3.960 0.001 0.000 0.243 484 G HA3 -0.018 3.942 3.960 0.001 0.000 0.243 484 G C 0.248 175.153 174.900 0.007 0.000 1.288 484 G CA -0.293 44.825 45.100 0.030 0.000 0.901 484 G HN 0.453 nan 8.290 nan 0.000 0.516 485 R N 1.944 122.450 120.500 0.011 0.000 2.276 485 R HA 0.161 4.502 4.340 0.001 0.000 0.196 485 R C 2.631 178.960 176.300 0.049 0.000 0.961 485 R CA 1.015 57.132 56.100 0.029 0.000 1.024 485 R CB 0.066 30.365 30.300 -0.001 0.000 0.940 485 R HN 0.583 nan 8.270 nan 0.000 0.480 486 A N -0.063 122.781 122.820 0.040 0.000 2.015 486 A HA 0.227 4.548 4.320 0.001 0.000 0.219 486 A C 0.789 178.421 177.584 0.080 0.000 1.163 486 A CA 1.185 53.256 52.037 0.056 0.000 0.646 486 A CB -0.300 18.725 19.000 0.041 0.000 0.806 486 A HN 0.349 nan 8.150 nan 0.000 0.448 487 G N -1.491 107.360 108.800 0.086 0.000 3.326 487 G HA2 0.231 4.191 3.960 0.001 0.000 0.681 487 G HA3 0.231 4.191 3.960 0.001 0.000 0.681 487 G C -0.979 173.982 174.900 0.100 0.000 1.255 487 G CA -0.210 44.944 45.100 0.091 0.000 0.976 487 G HN 0.444 nan 8.290 nan 0.000 0.563 488 K N -0.144 120.291 120.400 0.058 0.000 2.385 488 K HA 0.918 5.238 4.320 0.001 0.000 0.248 488 K C -0.712 175.839 176.600 -0.081 0.000 0.955 488 K CA -0.731 55.525 56.287 -0.052 0.000 0.816 488 K CB 2.770 35.194 32.500 -0.126 0.000 1.250 488 K HN 0.941 nan 8.250 nan 0.000 0.434 489 V N 1.529 121.340 119.914 -0.171 0.000 3.147 489 V HA 0.205 4.325 4.120 0.001 0.000 0.299 489 V C -1.259 174.701 176.094 -0.223 0.000 1.302 489 V CA -0.911 61.238 62.300 -0.252 0.000 1.015 489 V CB 2.013 33.656 31.823 -0.300 0.000 1.086 489 V HN 0.893 nan 8.190 nan 0.000 0.437 490 H N 2.235 121.247 119.070 -0.097 0.000 2.897 490 H HA 0.064 4.621 4.556 0.001 0.000 0.347 490 H C 0.714 176.008 175.328 -0.057 0.000 1.068 490 H CA 0.858 56.895 56.048 -0.018 0.000 1.426 490 H CB 0.376 30.206 29.762 0.114 0.000 1.410 490 H HN 0.621 nan 8.280 nan 0.000 0.597 491 N N 3.614 122.344 118.700 0.050 0.000 2.399 491 N HA -0.052 4.688 4.740 0.001 0.000 0.259 491 N C 0.459 175.882 175.510 -0.146 0.000 1.160 491 N CA -0.567 52.371 53.050 -0.186 0.000 0.946 491 N CB 0.308 38.714 38.487 -0.135 0.000 1.156 491 N HN 0.511 nan 8.380 nan 0.000 0.489 492 F N 3.237 123.095 119.950 -0.154 0.000 2.771 492 F HA 0.121 4.648 4.527 0.000 0.000 0.299 492 F C 1.189 176.778 175.800 -0.351 0.000 1.177 492 F CA 0.015 57.691 58.000 -0.541 0.000 1.450 492 F CB -0.113 38.256 39.000 -1.053 0.000 1.114 492 F HN 0.425 nan 8.300 nan 0.000 0.587 493 M N 0.645 120.090 119.600 -0.259 0.000 2.465 493 M HA 0.214 4.695 4.480 0.001 0.000 0.249 493 M C 0.802 177.109 176.300 0.010 0.000 1.130 493 M CA -0.141 55.119 55.300 -0.065 0.000 1.067 493 M CB -0.379 32.118 32.600 -0.171 0.000 1.394 493 M HN 0.182 nan 8.290 nan 0.000 0.483 494 L N 2.323 123.571 121.223 0.042 0.000 2.747 494 L HA -0.110 4.230 4.340 0.001 0.000 0.286 494 L C 0.894 177.856 176.870 0.152 0.000 1.216 494 L CA 1.139 56.059 54.840 0.133 0.000 0.930 494 L CB -0.301 41.894 42.059 0.227 0.000 1.216 494 L HN 0.765 nan 8.230 nan 0.000 0.486 495 G N 4.536 113.406 108.800 0.117 0.000 2.356 495 G HA2 -0.269 3.691 3.960 0.001 0.000 0.296 495 G HA3 -0.269 3.691 3.960 0.001 0.000 0.296 495 G C 0.212 175.036 174.900 -0.127 0.000 1.022 495 G CA -0.268 44.845 45.100 0.023 0.000 0.961 495 G HN 0.440 nan 8.290 nan 0.000 0.510 496 L N 0.634 121.825 121.223 -0.054 0.000 2.410 496 L HA 0.144 4.484 4.340 0.001 0.000 0.273 496 L C 1.846 178.659 176.870 -0.095 0.000 1.152 496 L CA 0.256 55.058 54.840 -0.064 0.000 0.855 496 L CB 0.172 42.222 42.059 -0.014 0.000 1.129 496 L HN 0.337 nan 8.230 nan 0.000 0.463 497 N N 2.954 121.583 118.700 -0.118 0.000 2.217 497 N HA -0.261 4.480 4.740 0.001 0.000 0.195 497 N C 0.582 176.044 175.510 -0.080 0.000 0.950 497 N CA 1.701 54.690 53.050 -0.101 0.000 0.910 497 N CB -0.053 38.366 38.487 -0.113 0.000 1.073 497 N HN 0.460 nan 8.380 nan 0.000 0.663 540 V N 0.119 120.022 119.914 -0.019 0.000 3.276 540 V HA 0.707 4.828 4.120 0.001 0.000 0.319 540 V C 0.408 176.514 176.094 0.021 0.000 1.427 540 V CA 0.379 62.674 62.300 -0.009 0.000 1.102 540 V CB 0.114 31.929 31.823 -0.012 0.000 1.020 540 V HN 0.518 nan 8.190 nan 0.000 0.456 541 K N 0.715 121.128 120.400 0.022 0.000 2.687 541 K HA 0.781 5.102 4.320 0.001 0.000 0.197 541 K C -0.166 176.456 176.600 0.036 0.000 1.049 541 K CA 0.356 56.665 56.287 0.038 0.000 1.030 541 K CB 0.624 33.143 32.500 0.032 0.000 1.261 541 K HN 1.460 nan 8.250 nan 0.000 0.565 542 S N -0.392 115.331 115.700 0.039 0.000 2.635 542 S HA 0.186 4.656 4.470 0.001 0.000 0.327 542 S C 0.373 174.992 174.600 0.032 0.000 0.917 542 S CA -0.444 57.776 58.200 0.034 0.000 0.827 542 S CB 0.495 63.712 63.200 0.029 0.000 1.065 542 S HN 0.457 nan 8.310 nan 0.000 0.474 543 K N 1.920 122.346 120.400 0.044 0.000 2.103 543 K HA -0.012 4.309 4.320 0.001 0.000 0.207 543 K C 0.505 177.150 176.600 0.074 0.000 1.048 543 K CA 1.041 57.369 56.287 0.068 0.000 0.930 543 K CB -0.191 32.355 32.500 0.077 0.000 0.716 543 K HN 0.584 nan 8.250 nan 0.000 0.444 544 K N 0.596 121.000 120.400 0.006 0.000 2.400 544 K HA 0.525 4.845 4.320 0.001 0.000 0.246 544 K C -0.516 175.996 176.600 -0.147 0.000 0.995 544 K CA -0.826 55.423 56.287 -0.065 0.000 0.840 544 K CB 2.321 34.753 32.500 -0.113 0.000 1.293 544 K HN 0.012 nan 8.250 nan 0.000 0.445 545 I N -2.423 118.030 120.570 -0.195 0.000 2.828 545 I HA 0.457 4.628 4.170 0.001 0.000 0.302 545 I C -0.787 175.211 176.117 -0.199 0.000 1.101 545 I CA -1.024 60.179 61.300 -0.162 0.000 1.031 545 I CB 2.025 39.979 38.000 -0.077 0.000 1.231 545 I HN 0.438 nan 8.210 nan 0.000 0.427 546 H N 4.026 123.177 119.070 0.134 0.000 2.562 546 H HA 0.517 5.074 4.556 0.000 0.000 0.314 546 H C -0.567 174.861 175.328 0.167 0.000 1.079 546 H CA -0.414 55.699 56.048 0.107 0.000 1.349 546 H CB 2.016 31.810 29.762 0.053 0.000 1.432 546 H HN 0.585 nan 8.280 nan 0.000 0.479 547 V N 1.800 121.862 119.914 0.246 0.000 2.487 547 V HA 0.674 4.794 4.120 0.001 0.000 0.298 547 V C -0.130 176.048 176.094 0.140 0.000 1.028 547 V CA -0.759 61.682 62.300 0.235 0.000 0.860 547 V CB 1.462 33.482 31.823 0.328 0.000 0.991 547 V HN 0.461 nan 8.190 nan 0.000 0.427 548 V N 2.028 121.990 119.914 0.080 0.000 3.159 548 V HA 0.533 4.653 4.120 0.001 0.000 0.308 548 V C -0.785 175.290 176.094 -0.032 0.000 1.190 548 V CA -0.522 61.791 62.300 0.021 0.000 1.037 548 V CB 2.127 33.944 31.823 -0.010 0.000 1.060 548 V HN 1.159 nan 8.190 nan 0.000 0.437 549 D N 1.903 122.289 120.400 -0.023 0.000 2.586 549 D HA -0.015 4.625 4.640 0.001 0.000 0.234 549 D C 1.173 177.357 176.300 -0.194 0.000 1.132 549 D CA 1.023 54.994 54.000 -0.049 0.000 0.860 549 D CB 1.510 42.298 40.800 -0.020 0.000 1.159 549 D HN 0.574 nan 8.370 nan 0.000 0.490 550 S N 2.624 118.148 115.700 -0.294 0.000 2.447 550 S HA -0.077 4.393 4.470 0.001 0.000 0.233 550 S C 1.916 176.250 174.600 -0.443 0.000 1.006 550 S CA 0.834 58.667 58.200 -0.611 0.000 0.957 550 S CB -0.002 62.691 63.200 -0.845 0.000 0.773 550 S HN 0.724 nan 8.310 nan 0.000 0.507 551 G N 1.054 109.712 108.800 -0.237 0.000 2.527 551 G HA2 -0.131 3.829 3.960 0.001 0.000 0.219 551 G HA3 -0.131 3.829 3.960 0.001 0.000 0.219 551 G C 1.043 175.855 174.900 -0.148 0.000 1.117 551 G CA 0.412 45.423 45.100 -0.149 0.000 0.759 551 G HN 0.384 nan 8.290 nan 0.000 0.556 552 L N 0.526 121.636 121.223 -0.188 0.000 2.376 552 L HA 0.102 4.442 4.340 0.001 0.000 0.219 552 L C 2.633 179.428 176.870 -0.125 0.000 1.133 552 L CA 1.449 56.201 54.840 -0.148 0.000 0.816 552 L CB -0.400 41.570 42.059 -0.148 0.000 0.933 552 L HN 0.150 nan 8.230 nan 0.000 0.449 553 T N -1.379 113.065 114.554 -0.183 0.000 3.348 553 T HA 0.266 4.616 4.350 0.001 0.000 0.233 553 T C -0.002 174.750 174.700 0.088 0.000 0.960 553 T CA 0.307 62.352 62.100 -0.091 0.000 1.343 553 T CB 0.125 68.843 68.868 -0.250 0.000 1.068 553 T HN 0.061 nan 8.240 nan 0.000 0.410 554 F N -0.670 119.325 119.950 0.074 0.000 2.626 554 F HA 0.571 5.099 4.527 0.000 0.000 0.311 554 F C 0.302 176.161 175.800 0.098 0.000 1.088 554 F CA -1.347 56.698 58.000 0.075 0.000 0.949 554 F CB 0.946 39.991 39.000 0.076 0.000 1.322 554 F HN -0.147 nan 8.300 nan 0.000 0.461 555 N N 0.280 119.153 118.700 0.289 0.000 2.461 555 N HA 0.198 4.939 4.740 0.001 0.000 0.188 555 N C -0.782 174.853 175.510 0.208 0.000 1.134 555 N CA 0.190 53.346 53.050 0.176 0.000 0.878 555 N CB 0.213 38.770 38.487 0.118 0.000 0.972 555 N HN 0.427 nan 8.380 nan 0.000 0.456 556 L N 1.989 123.435 121.223 0.372 0.000 2.319 556 L HA 0.375 4.715 4.340 0.001 0.000 0.281 556 L C -1.955 175.077 176.870 0.270 0.000 1.005 556 L CA -1.771 53.239 54.840 0.285 0.000 0.828 556 L CB 1.909 44.214 42.059 0.409 0.000 1.227 556 L HN -0.157 nan 8.230 nan 0.000 0.415 557 P HA -0.091 nan 4.420 nan 0.000 0.290 557 P C 0.562 177.747 177.300 -0.192 0.000 1.584 557 P CA 0.314 63.407 63.100 -0.010 0.000 0.813 557 P CB -0.176 31.488 31.700 -0.060 0.000 1.775 558 Y N 1.363 121.589 120.300 -0.124 0.000 2.165 558 Y HA -0.135 4.415 4.550 0.001 0.000 0.286 558 Y C -0.214 175.539 175.900 -0.245 0.000 1.155 558 Y CA 1.819 59.860 58.100 -0.100 0.000 1.164 558 Y CB -2.145 36.359 38.460 0.074 0.000 0.978 558 Y HN 0.260 nan 8.280 nan 0.000 0.513 559 P HA -0.205 nan 4.420 nan 0.000 0.218 559 P C 1.351 178.538 177.300 -0.188 0.000 1.146 559 P CA 1.511 64.220 63.100 -0.650 0.000 0.813 559 P CB -0.092 30.576 31.700 -1.721 0.000 0.778 560 L N -1.030 120.087 121.223 -0.175 0.000 2.093 560 L HA -0.076 4.264 4.340 0.001 0.000 0.208 560 L C 2.083 178.875 176.870 -0.130 0.000 1.085 560 L CA 1.306 56.086 54.840 -0.100 0.000 0.755 560 L CB -0.581 41.409 42.059 -0.115 0.000 0.904 560 L HN 0.039 nan 8.230 nan 0.000 0.435 561 I N -5.201 115.304 120.570 -0.108 0.000 4.082 561 I HA 0.054 4.224 4.170 0.001 0.000 0.337 561 I C 1.104 177.235 176.117 0.024 0.000 1.352 561 I CA -0.058 61.184 61.300 -0.096 0.000 1.097 561 I CB 0.400 38.344 38.000 -0.094 0.000 1.048 561 I HN -0.013 nan 8.210 nan 0.000 0.393 562 L N 1.167 122.449 121.223 0.099 0.000 2.607 562 L HA 0.303 4.643 4.340 0.001 0.000 0.228 562 L C 1.214 178.160 176.870 0.126 0.000 1.123 562 L CA 0.274 55.214 54.840 0.166 0.000 0.890 562 L CB -0.801 41.445 42.059 0.311 0.000 1.103 562 L HN 0.255 nan 8.230 nan 0.000 0.468 563 R N 1.148 121.700 120.500 0.086 0.000 2.473 563 R HA -0.027 4.313 4.340 0.001 0.000 0.315 563 R C -1.343 174.996 176.300 0.064 0.000 0.972 563 R CA -0.905 55.242 56.100 0.078 0.000 1.047 563 R CB 0.636 30.966 30.300 0.050 0.000 0.932 563 R HN 0.011 nan 8.270 nan 0.000 0.411 564 P HA -0.244 nan 4.420 nan 0.000 0.218 564 P C 0.496 177.832 177.300 0.059 0.000 1.165 564 P CA 1.499 64.634 63.100 0.058 0.000 0.922 564 P CB 0.172 31.903 31.700 0.051 0.000 0.794 565 Q N -1.239 118.596 119.800 0.058 0.000 2.522 565 Q HA -0.123 4.217 4.340 0.001 0.000 0.216 565 Q C 1.885 177.929 176.000 0.074 0.000 0.986 565 Q CA 1.136 56.974 55.803 0.058 0.000 0.901 565 Q CB -0.570 28.197 28.738 0.048 0.000 0.954 565 Q HN 0.326 nan 8.270 nan 0.000 0.502 566 R N -1.146 119.400 120.500 0.076 0.000 2.290 566 R HA 0.146 4.486 4.340 0.001 0.000 0.197 566 R C 0.752 177.149 176.300 0.162 0.000 0.913 566 R CA 0.533 56.711 56.100 0.129 0.000 1.040 566 R CB 0.273 30.586 30.300 0.021 0.000 0.992 566 R HN 0.289 nan 8.270 nan 0.000 0.500 567 G N 2.232 111.096 108.800 0.107 0.000 2.421 567 G HA2 -0.254 3.707 3.960 0.001 0.000 0.300 567 G HA3 -0.254 3.707 3.960 0.001 0.000 0.300 567 G C 0.156 175.123 174.900 0.111 0.000 0.974 567 G CA 0.245 45.402 45.100 0.095 0.000 1.062 567 G HN 0.118 nan 8.290 nan 0.000 0.514 568 V N 0.282 120.269 119.914 0.122 0.000 2.555 568 V HA 0.301 4.422 4.120 0.001 0.000 0.286 568 V C 1.235 177.379 176.094 0.084 0.000 1.044 568 V CA 0.854 63.232 62.300 0.131 0.000 1.026 568 V CB 1.354 33.260 31.823 0.139 0.000 0.981 568 V HN 0.678 nan 8.190 nan 0.000 0.480 569 D N 3.248 123.692 120.400 0.074 0.000 2.455 569 D HA 0.142 4.782 4.640 0.001 0.000 0.228 569 D C 0.189 176.517 176.300 0.045 0.000 1.070 569 D CA -0.186 53.843 54.000 0.049 0.000 0.881 569 D CB 0.419 41.243 40.800 0.040 0.000 1.087 569 D HN 0.359 nan 8.370 nan 0.000 0.498 570 L N 1.329 122.589 121.223 0.062 0.000 2.342 570 L HA 0.494 4.834 4.340 0.001 0.000 0.276 570 L C -1.600 175.321 176.870 0.086 0.000 0.997 570 L CA -0.892 53.987 54.840 0.066 0.000 0.838 570 L CB 1.378 43.475 42.059 0.063 0.000 1.224 570 L HN 0.031 nan 8.230 nan 0.000 0.416 571 I N 6.716 127.337 120.570 0.085 0.000 2.359 571 I HA 0.331 4.502 4.170 0.001 0.000 0.284 571 I C -0.256 175.930 176.117 0.115 0.000 1.018 571 I CA -0.273 61.082 61.300 0.092 0.000 1.173 571 I CB 1.156 39.209 38.000 0.087 0.000 1.326 571 I HN 0.499 nan 8.210 nan 0.000 0.462 572 I N 5.321 125.972 120.570 0.134 0.000 2.257 572 I HA 0.115 4.286 4.170 0.001 0.000 0.290 572 I C 0.763 176.956 176.117 0.125 0.000 1.137 572 I CA 0.085 61.475 61.300 0.150 0.000 1.255 572 I CB 0.403 38.532 38.000 0.215 0.000 1.485 572 I HN 0.508 nan 8.210 nan 0.000 0.534 573 S N 5.325 121.046 115.700 0.035 0.000 2.580 573 S HA 0.525 4.995 4.470 0.001 0.000 0.274 573 S C -0.681 173.739 174.600 -0.300 0.000 1.329 573 S CA -0.095 58.104 58.200 -0.002 0.000 1.036 573 S CB 0.407 63.653 63.200 0.077 0.000 0.919 573 S HN 0.305 nan 8.310 nan 0.000 0.515 574 F N 2.602 122.478 119.950 -0.124 0.000 2.499 574 F HA 0.353 4.880 4.527 0.001 0.000 0.333 574 F C -0.081 175.376 175.800 -0.571 0.000 1.138 574 F CA -1.034 56.773 58.000 -0.322 0.000 0.945 574 F CB 1.694 40.549 39.000 -0.242 0.000 1.181 574 F HN 0.463 nan 8.300 nan 0.000 0.435 575 D N 3.151 123.236 120.400 -0.526 0.000 2.349 575 D HA 0.332 4.972 4.640 0.001 0.000 0.232 575 D C -0.382 175.635 176.300 -0.472 0.000 1.071 575 D CA -0.256 53.500 54.000 -0.406 0.000 0.832 575 D CB 0.681 41.335 40.800 -0.243 0.000 1.086 575 D HN 0.332 nan 8.370 nan 0.000 0.504 576 F N 0.937 120.927 119.950 0.066 0.000 2.668 576 F HA 0.236 4.763 4.527 0.001 0.000 0.301 576 F C 1.179 177.057 175.800 0.131 0.000 1.106 576 F CA -0.585 57.474 58.000 0.099 0.000 1.289 576 F CB 0.300 39.337 39.000 0.061 0.000 1.006 576 F HN 0.077 nan 8.300 nan 0.000 0.535 577 S N 1.471 117.287 115.700 0.194 0.000 2.563 577 S HA 0.375 4.845 4.470 0.001 0.000 0.284 577 S C 0.592 175.237 174.600 0.075 0.000 1.331 577 S CA -0.511 57.756 58.200 0.112 0.000 1.047 577 S CB 0.652 63.877 63.200 0.041 0.000 0.859 577 S HN 0.332 nan 8.310 nan 0.000 0.514 578 A N 3.916 126.699 122.820 -0.063 0.000 2.440 578 A HA 0.440 4.761 4.320 0.001 0.000 0.251 578 A C 0.431 177.618 177.584 -0.661 0.000 1.089 578 A CA -0.278 51.489 52.037 -0.451 0.000 0.779 578 A CB 0.272 19.101 19.000 -0.285 0.000 1.022 578 A HN 0.794 nan 8.150 nan 0.000 0.492 579 R N 2.202 121.936 120.500 -1.277 0.000 2.778 579 R HA 0.354 4.694 4.340 0.001 0.000 0.277 579 R C -2.143 173.812 176.300 -0.575 0.000 0.977 579 R CA -1.831 53.873 56.100 -0.660 0.000 0.950 579 R CB 1.194 31.274 30.300 -0.367 0.000 1.165 579 R HN 0.395 nan 8.270 nan 0.000 0.474 580 P HA -0.162 nan 4.420 nan 0.000 0.217 580 P C 0.129 177.400 177.300 -0.048 0.000 1.148 580 P CA 1.349 64.362 63.100 -0.143 0.000 0.828 580 P CB 0.315 31.962 31.700 -0.088 0.000 0.783 581 S N -2.962 112.734 115.700 -0.006 0.000 2.588 581 S HA 0.231 4.701 4.470 0.001 0.000 0.269 581 S C -0.216 174.525 174.600 0.235 0.000 1.157 581 S CA -0.672 57.615 58.200 0.145 0.000 0.824 581 S CB 0.571 63.832 63.200 0.101 0.000 1.126 581 S HN -0.278 nan 8.310 nan 0.000 0.464 582 D N 1.471 122.047 120.400 0.292 0.000 2.311 582 D HA 0.021 4.662 4.640 0.001 0.000 0.212 582 D C 1.361 177.768 176.300 0.178 0.000 0.972 582 D CA 1.385 55.538 54.000 0.256 0.000 0.887 582 D CB 0.074 40.973 40.800 0.164 0.000 0.915 582 D HN 0.326 nan 8.370 nan 0.000 0.497 583 S N -0.654 115.136 115.700 0.151 0.000 2.517 583 S HA 0.103 4.573 4.470 0.001 0.000 0.214 583 S C 0.691 175.361 174.600 0.117 0.000 0.991 583 S CA -0.264 58.035 58.200 0.166 0.000 0.906 583 S CB 0.363 63.659 63.200 0.160 0.000 0.789 583 S HN 0.058 nan 8.310 nan 0.000 0.513 584 S N 4.153 119.865 115.700 0.019 0.000 2.549 584 S HA 0.150 4.621 4.470 0.001 0.000 0.286 584 S C -2.348 172.022 174.600 -0.383 0.000 1.314 584 S CA -0.762 57.365 58.200 -0.123 0.000 1.062 584 S CB 0.209 63.341 63.200 -0.115 0.000 0.865 584 S HN 0.278 nan 8.310 nan 0.000 0.498 585 P HA 0.112 nan 4.420 nan 0.000 0.265 585 P C -2.532 174.318 177.300 -0.749 0.000 1.193 585 P CA -1.173 61.182 63.100 -1.241 0.000 0.765 585 P CB -0.105 31.017 31.700 -0.963 0.000 0.823 586 P HA 0.298 nan 4.420 nan 0.000 0.206 586 P C -0.717 176.060 177.300 -0.871 0.000 1.867 586 P CA -0.311 62.364 63.100 -0.708 0.000 0.991 586 P CB -0.393 31.023 31.700 -0.473 0.000 1.822 587 F N -0.745 119.087 119.950 -0.196 0.000 2.781 587 F HA 0.288 4.816 4.527 0.001 0.000 0.322 587 F C 2.010 177.691 175.800 -0.198 0.000 1.108 587 F CA -0.446 57.413 58.000 -0.236 0.000 1.179 587 F CB 0.166 38.994 39.000 -0.287 0.000 1.072 587 F HN -0.099 nan 8.300 nan 0.000 0.545 588 K N 1.719 122.089 120.400 -0.049 0.000 2.001 588 K HA -0.197 4.123 4.320 0.001 0.000 0.214 588 K C 2.113 178.681 176.600 -0.053 0.000 1.050 588 K CA 2.359 58.610 56.287 -0.059 0.000 0.934 588 K CB -0.256 32.200 32.500 -0.075 0.000 0.718 588 K HN 0.345 nan 8.250 nan 0.000 0.443 589 E N 1.445 121.637 120.200 -0.013 0.000 2.051 589 E HA -0.216 4.134 4.350 0.001 0.000 0.192 589 E C 2.372 178.939 176.600 -0.055 0.000 0.991 589 E CA 1.024 57.440 56.400 0.027 0.000 0.799 589 E CB -1.105 28.663 29.700 0.113 0.000 0.748 589 E HN 0.398 nan 8.360 nan 0.000 0.449 590 L N 0.279 121.484 121.223 -0.031 0.000 2.012 590 L HA -0.166 4.174 4.340 0.001 0.000 0.210 590 L C 2.814 179.485 176.870 -0.332 0.000 1.073 590 L CA 1.282 56.041 54.840 -0.135 0.000 0.748 590 L CB -0.222 41.712 42.059 -0.209 0.000 0.891 590 L HN 0.124 nan 8.230 nan 0.000 0.431 591 L N -0.734 120.322 121.223 -0.279 0.000 2.131 591 L HA -0.266 4.074 4.340 0.001 0.000 0.210 591 L C 2.489 179.118 176.870 -0.401 0.000 1.092 591 L CA 1.034 55.672 54.840 -0.335 0.000 0.759 591 L CB -0.396 41.526 42.059 -0.228 0.000 0.903 591 L HN 0.340 nan 8.230 nan 0.000 0.435 592 L N -0.574 120.429 121.223 -0.368 0.000 2.093 592 L HA -0.179 4.162 4.340 0.001 0.000 0.208 592 L C 2.837 179.192 176.870 -0.859 0.000 1.085 592 L CA 1.112 55.688 54.840 -0.440 0.000 0.755 592 L CB -0.607 41.300 42.059 -0.255 0.000 0.904 592 L HN 0.241 nan 8.230 nan 0.000 0.435 593 A N -0.420 121.778 122.820 -1.036 0.000 1.930 593 A HA -0.238 4.082 4.320 0.001 0.000 0.217 593 A C 2.259 179.178 177.584 -1.108 0.000 1.175 593 A CA 1.627 52.933 52.037 -1.218 0.000 0.627 593 A CB -0.453 18.095 19.000 -0.753 0.000 0.815 593 A HN 0.470 nan 8.150 nan 0.000 0.443 594 E N 0.027 119.479 120.200 -1.247 0.000 2.110 594 E HA -0.243 4.107 4.350 0.001 0.000 0.193 594 E C 2.029 178.151 176.600 -0.796 0.000 0.988 594 E CA 1.494 57.012 56.400 -1.469 0.000 0.804 594 E CB -0.129 28.991 29.700 -0.967 0.000 0.745 594 E HN 0.647 nan 8.360 nan 0.000 0.458 595 K N -0.341 119.724 120.400 -0.558 0.000 2.103 595 K HA -0.168 4.152 4.320 0.001 0.000 0.204 595 K C 1.911 178.338 176.600 -0.289 0.000 1.052 595 K CA 1.167 57.242 56.287 -0.354 0.000 0.945 595 K CB -0.334 32.006 32.500 -0.267 0.000 0.722 595 K HN 0.205 nan 8.250 nan 0.000 0.443 596 W N 1.448 122.467 121.300 -0.467 0.000 2.354 596 W HA -0.195 4.466 4.660 0.001 0.000 0.315 596 W C 2.006 178.371 176.519 -0.257 0.000 1.206 596 W CA 2.554 59.727 57.345 -0.287 0.000 1.290 596 W CB -0.615 28.709 29.460 -0.227 0.000 1.152 596 W HN 0.182 nan 8.180 nan 0.000 0.489 597 A N 0.940 123.598 122.820 -0.269 0.000 1.884 597 A HA -0.287 4.033 4.320 0.001 0.000 0.219 597 A C 2.041 179.411 177.584 -0.356 0.000 1.197 597 A CA 3.698 55.545 52.037 -0.317 0.000 0.637 597 A CB -1.684 17.183 19.000 -0.221 0.000 0.827 597 A HN 0.338 nan 8.150 nan 0.000 0.450 598 K N -0.840 119.371 120.400 -0.316 0.000 2.057 598 K HA -0.020 4.300 4.320 0.001 0.000 0.207 598 K C 2.135 178.589 176.600 -0.243 0.000 1.049 598 K CA 1.951 58.099 56.287 -0.231 0.000 0.931 598 K CB -0.840 31.537 32.500 -0.204 0.000 0.714 598 K HN 0.600 nan 8.250 nan 0.000 0.440 599 M N 0.652 120.073 119.600 -0.298 0.000 2.149 599 M HA -0.162 4.318 4.480 0.001 0.000 0.261 599 M C 0.709 176.822 176.300 -0.312 0.000 1.064 599 M CA 2.032 57.172 55.300 -0.266 0.000 1.102 599 M CB -0.101 32.323 32.600 -0.293 0.000 1.369 599 M HN 0.539 nan 8.290 nan 0.000 0.408 600 N N 0.145 118.539 118.700 -0.510 0.000 2.235 600 N HA 0.113 4.853 4.740 0.001 0.000 0.209 600 N C -0.111 175.220 175.510 -0.299 0.000 1.122 600 N CA 0.614 53.378 53.050 -0.476 0.000 0.845 600 N CB 0.415 38.384 38.487 -0.864 0.000 1.004 600 N HN 0.273 nan 8.380 nan 0.000 0.499 601 K N 0.505 120.769 120.400 -0.227 0.000 3.257 601 K HA -0.188 4.132 4.320 0.001 0.000 0.270 601 K C -0.662 175.870 176.600 -0.113 0.000 0.984 601 K CA 0.977 57.182 56.287 -0.136 0.000 0.739 601 K CB -2.722 29.723 32.500 -0.091 0.000 1.351 601 K HN 0.361 nan 8.250 nan 0.000 0.463 602 L N -0.517 120.632 121.223 -0.123 0.000 2.362 602 L HA 0.497 4.837 4.340 0.001 0.000 0.275 602 L C -2.185 174.704 176.870 0.032 0.000 0.998 602 L CA -2.552 52.264 54.840 -0.039 0.000 0.820 602 L CB 2.424 44.464 42.059 -0.031 0.000 1.270 602 L HN 0.058 nan 8.230 nan 0.000 0.415 603 P HA 0.003 nan 4.420 nan 0.000 0.260 603 P C -1.235 176.139 177.300 0.122 0.000 1.172 603 P CA 0.630 63.767 63.100 0.062 0.000 0.760 603 P CB 0.085 31.806 31.700 0.034 0.000 0.773 604 F N 4.914 124.823 119.950 -0.068 0.000 2.605 604 F HA 0.339 4.866 4.527 0.000 0.000 0.320 604 F C -2.324 173.416 175.800 -0.098 0.000 1.159 604 F CA -2.217 55.719 58.000 -0.107 0.000 0.999 604 F CB 1.875 40.767 39.000 -0.180 0.000 1.258 604 F HN 0.229 nan 8.300 nan 0.000 0.464 605 P HA 0.158 nan 4.420 nan 0.000 0.268 605 P C -0.936 176.413 177.300 0.082 0.000 1.205 605 P CA -0.223 62.869 63.100 -0.014 0.000 0.771 605 P CB 0.531 32.206 31.700 -0.043 0.000 0.858 606 K N 3.942 124.383 120.400 0.067 0.000 2.416 606 K HA 0.166 4.486 4.320 0.001 0.000 0.283 606 K C 0.394 177.026 176.600 0.054 0.000 1.037 606 K CA -0.248 56.065 56.287 0.043 0.000 0.995 606 K CB -0.438 32.076 32.500 0.024 0.000 0.938 606 K HN 0.401 nan 8.250 nan 0.000 0.475 607 I N 4.372 124.905 120.570 -0.061 0.000 2.301 607 I HA 0.070 4.241 4.170 0.001 0.000 0.292 607 I C 0.369 176.442 176.117 -0.072 0.000 1.046 607 I CA -1.286 59.921 61.300 -0.156 0.000 1.282 607 I CB 0.537 38.258 38.000 -0.465 0.000 1.409 607 I HN 0.884 nan 8.210 nan 0.000 0.484 608 D N 9.286 129.718 120.400 0.053 0.000 2.417 608 D HA 0.036 4.676 4.640 0.001 0.000 0.250 608 D C -1.868 174.376 176.300 -0.093 0.000 1.166 608 D CA -1.347 52.654 54.000 0.002 0.000 0.881 608 D CB 1.305 42.137 40.800 0.053 0.000 1.164 608 D HN 0.345 nan 8.370 nan 0.000 0.467 609 P HA -0.110 nan 4.420 nan 0.000 0.242 609 P C -0.141 176.869 177.300 -0.484 0.000 1.198 609 P CA 0.645 63.545 63.100 -0.334 0.000 0.756 609 P CB -0.245 31.217 31.700 -0.397 0.000 0.911 610 Y N -2.383 117.901 120.300 -0.026 0.000 2.717 610 Y HA 0.098 4.649 4.550 0.000 0.000 0.250 610 Y C 2.091 178.001 175.900 0.017 0.000 1.149 610 Y CA -0.329 57.778 58.100 0.012 0.000 1.211 610 Y CB 0.233 38.694 38.460 0.003 0.000 1.289 610 Y HN -0.272 nan 8.280 nan 0.000 0.552 611 V N 0.456 120.408 119.914 0.063 0.000 2.324 611 V HA -0.349 3.772 4.120 0.001 0.000 0.250 611 V C 1.888 178.101 176.094 0.199 0.000 1.060 611 V CA 2.513 64.827 62.300 0.024 0.000 1.042 611 V CB -0.305 31.381 31.823 -0.229 0.000 0.650 611 V HN 0.538 nan 8.190 nan 0.000 0.450 612 F N 1.177 121.214 119.950 0.145 0.000 2.163 612 F HA -0.084 4.444 4.527 0.000 0.000 0.297 612 F C 1.997 177.928 175.800 0.219 0.000 1.094 612 F CA 2.117 60.305 58.000 0.312 0.000 1.290 612 F CB -0.253 38.985 39.000 0.397 0.000 1.017 612 F HN 0.323 nan 8.300 nan 0.000 0.483 613 D N 0.136 120.635 120.400 0.164 0.000 2.116 613 D HA -0.262 4.378 4.640 0.001 0.000 0.193 613 D C 2.132 178.409 176.300 -0.038 0.000 0.998 613 D CA 2.133 56.165 54.000 0.054 0.000 0.836 613 D CB -0.260 40.685 40.800 0.242 0.000 0.951 613 D HN 0.433 nan 8.370 nan 0.000 0.449 614 R N 0.403 120.918 120.500 0.024 0.000 2.119 614 R HA 0.084 4.424 4.340 0.001 0.000 0.222 614 R C 1.604 177.888 176.300 -0.026 0.000 1.088 614 R CA 0.843 56.937 56.100 -0.011 0.000 0.984 614 R CB -0.106 30.199 30.300 0.008 0.000 0.884 614 R HN 0.072 nan 8.270 nan 0.000 0.447 615 E N 0.820 121.026 120.200 0.010 0.000 2.102 615 E HA 0.144 4.494 4.350 0.001 0.000 0.190 615 E C 1.027 177.605 176.600 -0.036 0.000 0.971 615 E CA 1.096 57.523 56.400 0.046 0.000 0.821 615 E CB 0.086 29.941 29.700 0.258 0.000 0.777 615 E HN 0.478 nan 8.360 nan 0.000 0.460 616 G N 1.134 109.793 108.800 -0.234 0.000 2.728 616 G HA2 -0.242 3.718 3.960 0.001 0.000 0.294 616 G HA3 -0.242 3.718 3.960 0.001 0.000 0.294 616 G C -0.751 174.174 174.900 0.041 0.000 1.342 616 G CA -0.266 44.590 45.100 -0.408 0.000 0.866 616 G HN 0.186 nan 8.290 nan 0.000 0.534 617 L N 0.686 122.063 121.223 0.257 0.000 2.410 617 L HA 0.598 4.938 4.340 0.001 0.000 0.273 617 L C 0.607 177.619 176.870 0.236 0.000 1.144 617 L CA 0.332 55.472 54.840 0.501 0.000 0.863 617 L CB 0.161 42.454 42.059 0.389 0.000 1.140 617 L HN 0.607 nan 8.230 nan 0.000 0.463 618 K N 3.936 124.449 120.400 0.189 0.000 2.400 618 K HA 0.307 4.627 4.320 0.001 0.000 0.246 618 K C 0.280 176.794 176.600 -0.144 0.000 0.995 618 K CA -0.753 55.423 56.287 -0.185 0.000 0.840 618 K CB 1.746 33.804 32.500 -0.736 0.000 1.293 618 K HN 0.539 nan 8.250 nan 0.000 0.445 619 E N 0.065 120.165 120.200 -0.168 0.000 2.204 619 E HA -0.081 4.269 4.350 0.001 0.000 0.194 619 E C 0.575 177.032 176.600 -0.238 0.000 0.989 619 E CA 0.760 57.099 56.400 -0.101 0.000 0.824 619 E CB -0.068 29.604 29.700 -0.048 0.000 0.756 619 E HN 0.608 nan 8.360 nan 0.000 0.477 620 C N -1.936 117.095 119.300 -0.448 0.000 3.302 620 C HA 0.581 5.042 4.460 0.001 0.000 0.347 620 C C -1.576 173.127 174.990 -0.479 0.000 1.218 620 C CA -1.386 57.341 59.018 -0.485 0.000 1.234 620 C CB 0.203 27.191 27.740 -1.255 0.000 1.551 620 C HN 0.081 nan 8.230 nan 0.000 0.501 621 Y N 0.585 120.855 120.300 -0.051 0.000 2.570 621 Y HA 0.803 5.353 4.550 0.001 0.000 0.345 621 Y C 0.069 175.896 175.900 -0.123 0.000 1.014 621 Y CA -1.186 56.873 58.100 -0.068 0.000 1.063 621 Y CB 1.742 40.244 38.460 0.070 0.000 1.272 621 Y HN 0.703 nan 8.280 nan 0.000 0.477 622 V N 2.236 122.045 119.914 -0.175 0.000 2.555 622 V HA 0.426 4.547 4.120 0.001 0.000 0.302 622 V C -1.223 174.631 176.094 -0.401 0.000 1.038 622 V CA -0.960 61.255 62.300 -0.142 0.000 0.887 622 V CB 1.478 33.231 31.823 -0.116 0.000 0.991 622 V HN 0.559 nan 8.190 nan 0.000 0.434 623 F N 3.003 122.960 119.950 0.012 0.000 2.564 623 F HA 0.519 5.046 4.527 0.000 0.000 0.368 623 F C 0.379 176.154 175.800 -0.041 0.000 1.127 623 F CA -0.858 57.125 58.000 -0.027 0.000 1.170 623 F CB 1.173 40.138 39.000 -0.059 0.000 1.397 623 F HN 0.279 nan 8.300 nan 0.000 0.493 624 K N 4.020 124.453 120.400 0.055 0.000 2.319 624 K HA 0.169 4.490 4.320 0.001 0.000 0.265 624 K C -1.380 175.243 176.600 0.039 0.000 1.000 624 K CA -1.098 55.208 56.287 0.032 0.000 0.943 624 K CB 0.349 32.849 32.500 0.000 0.000 0.950 624 K HN 0.135 nan 8.250 nan 0.000 0.485 625 P HA -0.141 nan 4.420 nan 0.000 0.211 625 P C -0.782 176.528 177.300 0.017 0.000 0.969 625 P CA 1.332 64.439 63.100 0.012 0.000 0.938 625 P CB -0.009 31.694 31.700 0.005 0.000 0.603 626 K N -1.727 118.679 120.400 0.010 0.000 2.636 626 K HA 0.197 4.518 4.320 0.001 0.000 0.268 626 K C 0.637 177.240 176.600 0.004 0.000 0.958 626 K CA 0.054 56.346 56.287 0.009 0.000 0.875 626 K CB -1.225 31.281 32.500 0.010 0.000 1.382 626 K HN 0.249 nan 8.250 nan 0.000 0.405 627 N N 1.088 119.789 118.700 0.002 0.000 2.037 627 N HA -0.112 4.629 4.740 0.001 0.000 0.196 627 N C -0.978 174.532 175.510 0.000 0.000 1.034 627 N CA 1.556 54.606 53.050 -0.000 0.000 0.861 627 N CB -0.652 37.834 38.487 -0.002 0.000 1.039 627 N HN 0.718 nan 8.380 nan 0.000 0.427 628 P HA 0.027 nan 4.420 nan 0.000 0.272 628 P C -0.951 176.350 177.300 0.001 0.000 1.254 628 P CA 0.714 63.814 63.100 0.000 0.000 0.795 628 P CB 0.502 32.202 31.700 -0.000 0.000 1.022 629 D N -0.524 119.877 120.400 0.001 0.000 2.945 629 D HA 0.193 4.833 4.640 0.001 0.000 0.340 629 D C 1.561 177.862 176.300 0.002 0.000 1.240 629 D CA -0.160 53.842 54.000 0.002 0.000 0.749 629 D CB 0.352 41.153 40.800 0.003 0.000 1.217 629 D HN 0.215 nan 8.370 nan 0.000 0.514 630 M N 0.340 119.940 119.600 0.001 0.000 2.115 630 M HA -0.121 4.360 4.480 0.001 0.000 0.258 630 M C 1.663 177.964 176.300 0.001 0.000 1.071 630 M CA 2.794 58.094 55.300 -0.000 0.000 1.100 630 M CB -1.180 31.418 32.600 -0.003 0.000 1.292 630 M HN 0.269 nan 8.290 nan 0.000 0.415 631 E N 0.134 120.335 120.200 0.002 0.000 3.428 631 E HA 0.560 4.911 4.350 0.001 0.000 0.191 631 E C 0.454 177.058 176.600 0.007 0.000 0.980 631 E CA 1.007 57.410 56.400 0.005 0.000 1.305 631 E CB -1.602 28.100 29.700 0.003 0.000 1.105 631 E HN 1.329 nan 8.360 nan 0.000 0.455 632 K N 0.398 120.802 120.400 0.006 0.000 2.240 632 K HA 0.020 4.341 4.320 0.001 0.000 0.254 632 K C 0.713 177.318 176.600 0.009 0.000 1.005 632 K CA 0.588 56.879 56.287 0.007 0.000 0.819 632 K CB -0.484 32.020 32.500 0.006 0.000 1.002 632 K HN 0.802 nan 8.250 nan 0.000 0.538 633 D N -1.705 118.700 120.400 0.009 0.000 2.812 633 D HA -0.136 4.505 4.640 0.001 0.000 0.237 633 D C 0.185 176.492 176.300 0.011 0.000 1.162 633 D CA 1.138 55.144 54.000 0.011 0.000 0.740 633 D CB -1.820 38.988 40.800 0.013 0.000 1.000 633 D HN 1.187 nan 8.370 nan 0.000 0.416 634 C N 0.655 119.958 119.300 0.005 0.000 2.358 634 C HA 0.920 5.381 4.460 0.001 0.000 0.354 634 C C -1.861 173.121 174.990 -0.013 0.000 1.183 634 C CA -1.567 57.451 59.018 -0.001 0.000 2.150 634 C CB 1.420 29.158 27.740 -0.004 0.000 2.361 634 C HN 0.379 nan 8.230 nan 0.000 0.535 635 P HA 0.211 nan 4.420 nan 0.000 0.271 635 P C -0.319 176.952 177.300 -0.048 0.000 1.233 635 P CA 0.576 63.658 63.100 -0.030 0.000 0.789 635 P CB 0.555 32.237 31.700 -0.030 0.000 0.951 636 T N 0.535 115.083 114.554 -0.009 0.000 2.824 636 T HA 0.580 4.930 4.350 0.001 0.000 0.280 636 T C -0.302 174.418 174.700 0.033 0.000 0.995 636 T CA -0.782 61.325 62.100 0.013 0.000 1.009 636 T CB -0.183 68.703 68.868 0.030 0.000 0.955 636 T HN 0.205 nan 8.240 nan 0.000 0.452 637 I N 5.157 125.769 120.570 0.071 0.000 2.433 637 I HA 0.456 4.627 4.170 0.001 0.000 0.292 637 I C -0.294 175.967 176.117 0.241 0.000 1.001 637 I CA -1.010 60.371 61.300 0.136 0.000 1.119 637 I CB 1.924 39.972 38.000 0.079 0.000 1.289 637 I HN 0.562 nan 8.210 nan 0.000 0.438 638 I N 5.476 126.174 120.570 0.214 0.000 2.328 638 I HA 0.170 4.340 4.170 0.001 0.000 0.287 638 I C -0.463 175.809 176.117 0.258 0.000 1.012 638 I CA -0.504 60.917 61.300 0.202 0.000 1.195 638 I CB 0.851 38.946 38.000 0.157 0.000 1.350 638 I HN 0.567 nan 8.210 nan 0.000 0.464 639 H N 7.025 126.230 119.070 0.225 0.000 2.787 639 H HA 0.379 4.936 4.556 0.001 0.000 0.275 639 H C -0.972 174.438 175.328 0.136 0.000 1.183 639 H CA -0.363 55.828 56.048 0.238 0.000 1.290 639 H CB 0.240 30.259 29.762 0.429 0.000 1.438 639 H HN 0.268 nan 8.280 nan 0.000 0.487 640 F N 3.668 123.347 119.950 -0.453 0.000 2.418 640 F HA 0.287 4.815 4.527 0.001 0.000 0.341 640 F C 0.213 175.743 175.800 -0.451 0.000 1.120 640 F CA -0.164 57.575 58.000 -0.435 0.000 1.232 640 F CB 1.036 39.602 39.000 -0.722 0.000 1.175 640 F HN 0.288 nan 8.300 nan 0.000 0.569 641 V N 4.903 124.789 119.914 -0.047 0.000 2.914 641 V HA 0.530 4.651 4.120 0.001 0.000 0.314 641 V C -1.415 174.681 176.094 0.003 0.000 1.084 641 V CA -1.126 61.130 62.300 -0.072 0.000 0.963 641 V CB 2.086 33.938 31.823 0.049 0.000 1.025 641 V HN 0.573 nan 8.190 nan 0.000 0.432 642 L N 6.108 127.332 121.223 0.001 0.000 2.342 642 L HA 0.798 5.139 4.340 0.001 0.000 0.285 642 L C 0.012 176.926 176.870 0.074 0.000 1.095 642 L CA 0.707 55.585 54.840 0.063 0.000 0.843 642 L CB -0.022 42.120 42.059 0.138 0.000 1.201 642 L HN 0.966 nan 8.230 nan 0.000 0.445 643 A N 4.459 127.313 122.820 0.057 0.000 2.540 643 A HA 0.346 4.666 4.320 0.001 0.000 0.297 643 A C -0.875 176.729 177.584 0.033 0.000 1.056 643 A CA -0.730 51.339 52.037 0.053 0.000 0.700 643 A CB 0.739 19.794 19.000 0.092 0.000 1.280 643 A HN 0.709 nan 8.150 nan 0.000 0.398 644 N N 3.233 121.926 118.700 -0.012 0.000 2.767 644 N HA 0.431 5.172 4.740 0.001 0.000 0.238 644 N C 0.106 175.607 175.510 -0.016 0.000 1.083 644 N CA -0.336 52.683 53.050 -0.053 0.000 0.964 644 N CB 0.109 38.436 38.487 -0.267 0.000 1.252 644 N HN 0.637 nan 8.380 nan 0.000 0.512 645 I N 2.022 122.627 120.570 0.058 0.000 5.513 645 I HA 0.058 4.228 4.170 0.001 0.000 0.233 645 I C 1.490 177.662 176.117 0.091 0.000 0.920 645 I CA -0.410 60.932 61.300 0.069 0.000 1.843 645 I CB -0.478 37.575 38.000 0.088 0.000 1.466 645 I HN 0.335 nan 8.210 nan 0.000 0.469 646 N N 1.043 119.849 118.700 0.178 0.000 2.205 646 N HA -0.218 4.523 4.740 0.001 0.000 0.186 646 N C 1.573 177.134 175.510 0.084 0.000 1.015 646 N CA 1.108 54.310 53.050 0.253 0.000 0.862 646 N CB -0.344 38.386 38.487 0.406 0.000 0.986 646 N HN 0.270 nan 8.380 nan 0.000 0.429 647 F N 2.025 121.780 119.950 -0.325 0.000 2.287 647 F HA -0.155 4.373 4.527 0.000 0.000 0.301 647 F C 1.766 177.333 175.800 -0.387 0.000 1.069 647 F CA 1.247 58.802 58.000 -0.743 0.000 1.372 647 F CB 0.021 38.732 39.000 -0.482 0.000 1.056 647 F HN 0.010 nan 8.300 nan 0.000 0.523 648 R N -0.138 120.200 120.500 -0.269 0.000 2.115 648 R HA -0.081 4.259 4.340 0.001 0.000 0.230 648 R C 1.627 177.735 176.300 -0.321 0.000 1.111 648 R CA 1.221 57.139 56.100 -0.305 0.000 0.976 648 R CB -0.254 29.937 30.300 -0.181 0.000 0.870 648 R HN 0.234 nan 8.270 nan 0.000 0.445 649 K N -0.581 119.644 120.400 -0.292 0.000 2.367 649 K HA 0.141 4.462 4.320 0.001 0.000 0.195 649 K C -0.150 176.104 176.600 -0.576 0.000 1.060 649 K CA 0.443 56.484 56.287 -0.410 0.000 1.022 649 K CB 0.630 32.867 32.500 -0.440 0.000 0.894 649 K HN 0.097 nan 8.250 nan 0.000 0.540 650 Y N 0.322 120.457 120.300 -0.274 0.000 2.429 650 Y HA 0.292 4.842 4.550 0.000 0.000 0.342 650 Y C 1.371 177.082 175.900 -0.316 0.000 1.004 650 Y CA -0.474 57.521 58.100 -0.176 0.000 1.075 650 Y CB 1.629 40.139 38.460 0.084 0.000 1.214 650 Y HN -0.130 nan 8.280 nan 0.000 0.455 651 K N 1.299 121.742 120.400 0.072 0.000 2.262 651 K HA 0.657 4.977 4.320 0.001 0.000 0.200 651 K C 0.543 177.357 176.600 0.356 0.000 1.049 651 K CA 1.241 57.576 56.287 0.081 0.000 0.979 651 K CB 0.033 32.581 32.500 0.080 0.000 0.773 651 K HN 0.791 nan 8.250 nan 0.000 0.474 652 A N -0.949 122.162 122.820 0.486 0.000 2.594 652 A HA 0.655 4.975 4.320 0.001 0.000 0.291 652 A C -2.317 175.551 177.584 0.473 0.000 1.105 652 A CA -0.952 51.383 52.037 0.495 0.000 0.694 652 A CB 1.106 20.263 19.000 0.262 0.000 1.291 652 A HN -0.059 nan 8.150 nan 0.000 0.410 653 P HA -0.229 nan 4.420 nan 0.000 0.219 653 P C 1.267 178.481 177.300 -0.145 0.000 1.159 653 P CA 2.960 65.926 63.100 -0.224 0.000 0.944 653 P CB 0.226 31.771 31.700 -0.257 0.000 0.792 654 G N -2.392 106.382 108.800 -0.043 0.000 3.337 654 G HA2 0.241 4.201 3.960 0.001 0.000 0.246 654 G HA3 0.241 4.201 3.960 0.001 0.000 0.246 654 G C -0.272 174.715 174.900 0.146 0.000 1.131 654 G CA 0.018 45.105 45.100 -0.022 0.000 0.773 654 G HN 0.153 nan 8.290 nan 0.000 0.544 655 V N 3.179 123.244 119.914 0.253 0.000 2.347 655 V HA 0.352 4.472 4.120 0.001 0.000 0.280 655 V C -1.972 174.384 176.094 0.438 0.000 1.021 655 V CA -1.900 60.572 62.300 0.287 0.000 0.847 655 V CB 2.137 34.080 31.823 0.199 0.000 0.990 655 V HN 0.092 nan 8.190 nan 0.000 0.444 656 P HA 0.355 nan 4.420 nan 0.000 0.279 656 P C -0.750 176.499 177.300 -0.085 0.000 1.252 656 P CA -0.760 62.294 63.100 -0.076 0.000 0.811 656 P CB 1.184 32.785 31.700 -0.166 0.000 1.035 657 R N 1.483 121.866 120.500 -0.196 0.000 2.298 657 R HA 0.158 4.498 4.340 0.001 0.000 0.310 657 R C 1.171 177.403 176.300 -0.113 0.000 1.068 657 R CA 0.016 56.032 56.100 -0.140 0.000 0.957 657 R CB 0.719 30.904 30.300 -0.193 0.000 1.003 657 R HN 0.534 nan 8.270 nan 0.000 0.454 658 E N 0.704 120.864 120.200 -0.065 0.000 2.207 658 E HA -0.030 4.320 4.350 0.001 0.000 0.197 658 E C 0.375 176.950 176.600 -0.041 0.000 0.914 658 E CA 0.454 56.824 56.400 -0.050 0.000 0.914 658 E CB 0.332 30.016 29.700 -0.026 0.000 0.893 658 E HN 0.645 nan 8.360 nan 0.000 0.479 659 T N -0.690 113.846 114.554 -0.030 0.000 2.898 659 T HA 0.227 4.578 4.350 0.001 0.000 0.301 659 T C 1.206 175.888 174.700 -0.029 0.000 1.049 659 T CA 0.333 62.420 62.100 -0.022 0.000 1.095 659 T CB 1.489 70.351 68.868 -0.010 0.000 0.976 659 T HN 0.178 nan 8.240 nan 0.000 0.539 660 E N 1.051 121.238 120.200 -0.022 0.000 2.160 660 E HA -0.077 4.273 4.350 0.001 0.000 0.195 660 E C 2.322 178.912 176.600 -0.017 0.000 0.991 660 E CA 2.210 58.597 56.400 -0.021 0.000 0.810 660 E CB -1.713 27.979 29.700 -0.013 0.000 0.742 660 E HN 1.027 nan 8.360 nan 0.000 0.466 661 E N 1.013 121.208 120.200 -0.009 0.000 2.072 661 E HA -0.224 4.126 4.350 0.001 0.000 0.191 661 E C 1.975 178.571 176.600 -0.006 0.000 0.985 661 E CA 1.294 57.694 56.400 0.001 0.000 0.801 661 E CB -0.618 29.087 29.700 0.009 0.000 0.750 661 E HN 0.828 nan 8.360 nan 0.000 0.452 662 E N -0.109 120.077 120.200 -0.023 0.000 2.058 662 E HA -0.149 4.201 4.350 0.001 0.000 0.194 662 E C 2.722 179.271 176.600 -0.085 0.000 0.997 662 E CA 1.759 58.131 56.400 -0.048 0.000 0.801 662 E CB -0.290 29.375 29.700 -0.059 0.000 0.746 662 E HN 0.538 nan 8.360 nan 0.000 0.450 663 K N 1.083 121.432 120.400 -0.084 0.000 2.147 663 K HA -0.162 4.159 4.320 0.001 0.000 0.205 663 K C 2.055 178.617 176.600 -0.064 0.000 1.049 663 K CA 1.879 58.105 56.287 -0.103 0.000 0.936 663 K CB -1.486 30.962 32.500 -0.087 0.000 0.722 663 K HN 0.380 nan 8.250 nan 0.000 0.446 664 E N 1.474 121.661 120.200 -0.021 0.000 2.017 664 E HA -0.103 4.248 4.350 0.001 0.000 0.193 664 E C 2.016 178.661 176.600 0.076 0.000 0.997 664 E CA 1.670 58.083 56.400 0.023 0.000 0.804 664 E CB -0.935 28.782 29.700 0.028 0.000 0.757 664 E HN 0.968 nan 8.360 nan 0.000 0.448 665 I N -2.021 118.598 120.570 0.082 0.000 2.423 665 I HA 0.010 4.180 4.170 0.001 0.000 0.254 665 I C 2.593 178.904 176.117 0.323 0.000 1.151 665 I CA 1.628 63.030 61.300 0.170 0.000 1.421 665 I CB -0.257 37.829 38.000 0.143 0.000 1.079 665 I HN 0.233 nan 8.210 nan 0.000 0.431 666 A N 0.516 123.414 122.820 0.130 0.000 2.195 666 A HA -0.030 4.290 4.320 0.001 0.000 0.210 666 A C 0.954 178.491 177.584 -0.078 0.000 1.165 666 A CA 0.420 52.479 52.037 0.036 0.000 0.806 666 A CB -0.493 18.227 19.000 -0.467 0.000 0.847 666 A HN 0.501 nan 8.150 nan 0.000 0.482 667 D N 0.531 120.957 120.400 0.044 0.000 2.498 667 D HA 0.384 5.024 4.640 0.001 0.000 0.229 667 D C -0.479 175.912 176.300 0.152 0.000 1.188 667 D CA 0.147 54.151 54.000 0.006 0.000 1.028 667 D CB -0.681 40.134 40.800 0.025 0.000 1.087 667 D HN 0.316 nan 8.370 nan 0.000 0.510 668 F N -1.076 118.925 119.950 0.085 0.000 2.713 668 F HA 0.653 5.180 4.527 0.001 0.000 0.311 668 F C -0.873 174.989 175.800 0.103 0.000 1.141 668 F CA -1.013 57.051 58.000 0.106 0.000 0.939 668 F CB 0.558 39.651 39.000 0.156 0.000 1.325 668 F HN -0.008 nan 8.300 nan 0.000 0.453 669 D N 0.783 121.410 120.400 0.379 0.000 2.350 669 D HA 0.714 5.354 4.640 0.001 0.000 0.238 669 D C -0.111 176.407 176.300 0.364 0.000 0.989 669 D CA -0.483 53.663 54.000 0.244 0.000 0.921 669 D CB 2.037 42.930 40.800 0.155 0.000 1.297 669 D HN 0.554 nan 8.370 nan 0.000 0.490 670 I N -1.304 119.346 120.570 0.133 0.000 2.522 670 I HA 0.128 4.298 4.170 0.001 0.000 0.240 670 I C 1.525 177.565 176.117 -0.128 0.000 1.078 670 I CA 0.645 61.901 61.300 -0.073 0.000 1.422 670 I CB -0.183 37.436 38.000 -0.634 0.000 1.188 670 I HN 0.587 nan 8.210 nan 0.000 0.442 671 F N -0.038 120.028 119.950 0.194 0.000 2.717 671 F HA 0.127 4.654 4.527 0.001 0.000 0.295 671 F C 1.845 177.713 175.800 0.115 0.000 1.117 671 F CA 0.015 58.100 58.000 0.141 0.000 1.361 671 F CB -0.699 38.359 39.000 0.098 0.000 1.112 671 F HN 0.006 nan 8.300 nan 0.000 0.594 672 D N 0.078 120.627 120.400 0.247 0.000 2.224 672 D HA -0.103 4.538 4.640 0.001 0.000 0.205 672 D C 0.371 176.757 176.300 0.144 0.000 0.965 672 D CA 0.886 54.991 54.000 0.175 0.000 0.852 672 D CB -0.316 40.566 40.800 0.138 0.000 0.947 672 D HN 0.197 nan 8.370 nan 0.000 0.494 673 D N -0.104 120.386 120.400 0.150 0.000 2.350 673 D HA 0.049 4.689 4.640 0.001 0.000 0.249 673 D C -1.224 175.138 176.300 0.104 0.000 1.119 673 D CA -1.435 52.635 54.000 0.118 0.000 0.886 673 D CB 1.662 42.534 40.800 0.119 0.000 1.195 673 D HN -0.074 nan 8.370 nan 0.000 0.437 674 P HA -0.019 nan 4.420 nan 0.000 0.218 674 P C 0.048 177.378 177.300 0.051 0.000 1.152 674 P CA 0.838 63.977 63.100 0.066 0.000 0.826 674 P CB 0.101 31.832 31.700 0.052 0.000 0.790 675 E N 0.650 120.869 120.200 0.032 0.000 2.698 675 E HA 0.340 4.691 4.350 0.001 0.000 0.242 675 E C 0.097 176.674 176.600 -0.037 0.000 1.243 675 E CA -0.495 55.906 56.400 0.002 0.000 1.483 675 E CB -0.635 29.062 29.700 -0.005 0.000 1.495 675 E HN 0.151 nan 8.360 nan 0.000 0.440 676 S N 1.845 117.530 115.700 -0.024 0.000 2.499 676 S HA 0.419 4.890 4.470 0.001 0.000 0.279 676 S C -1.341 173.116 174.600 -0.239 0.000 1.219 676 S CA -1.103 57.033 58.200 -0.106 0.000 1.062 676 S CB 1.388 64.613 63.200 0.042 0.000 0.978 676 S HN 0.318 nan 8.310 nan 0.000 0.489 677 P HA 0.086 nan 4.420 nan 0.000 0.242 677 P C 0.135 177.002 177.300 -0.722 0.000 1.197 677 P CA 0.444 63.113 63.100 -0.718 0.000 0.765 677 P CB -0.094 31.014 31.700 -0.987 0.000 0.936 678 F N 0.732 120.621 119.950 -0.102 0.000 2.660 678 F HA 0.125 4.652 4.527 0.000 0.000 0.302 678 F C 1.451 177.355 175.800 0.172 0.000 1.103 678 F CA -0.783 57.240 58.000 0.039 0.000 1.340 678 F CB -0.965 38.031 39.000 -0.007 0.000 1.048 678 F HN -0.127 nan 8.300 nan 0.000 0.551 679 S N -1.363 114.493 115.700 0.260 0.000 2.576 679 S HA 0.081 4.551 4.470 0.001 0.000 0.276 679 S C 1.427 176.181 174.600 0.257 0.000 1.339 679 S CA -0.236 58.126 58.200 0.269 0.000 1.039 679 S CB 1.194 64.520 63.200 0.209 0.000 0.902 679 S HN 0.227 nan 8.310 nan 0.000 0.516 680 T N 1.987 116.651 114.554 0.183 0.000 2.699 680 T HA -0.156 4.195 4.350 0.001 0.000 0.268 680 T C 1.141 176.011 174.700 0.283 0.000 1.036 680 T CA 1.823 64.023 62.100 0.166 0.000 1.147 680 T CB -0.730 68.130 68.868 -0.015 0.000 0.862 680 T HN 0.662 nan 8.240 nan 0.000 0.446 681 F N 1.106 121.218 119.950 0.269 0.000 2.333 681 F HA 0.031 4.559 4.527 0.000 0.000 0.300 681 F C 1.393 177.372 175.800 0.297 0.000 1.083 681 F CA -0.236 57.965 58.000 0.334 0.000 1.395 681 F CB -0.160 38.966 39.000 0.209 0.000 1.056 681 F HN 0.092 nan 8.300 nan 0.000 0.529 682 N N -0.410 118.499 118.700 0.349 0.000 2.520 682 N HA 0.039 4.779 4.740 0.001 0.000 0.273 682 N C -0.151 175.423 175.510 0.107 0.000 1.155 682 N CA 0.261 53.471 53.050 0.267 0.000 0.967 682 N CB 0.434 39.023 38.487 0.169 0.000 1.092 682 N HN -0.083 nan 8.380 nan 0.000 0.457 683 F N -0.244 119.792 119.950 0.142 0.000 2.784 683 F HA 0.265 4.793 4.527 0.000 0.000 0.323 683 F C 0.866 176.855 175.800 0.315 0.000 1.085 683 F CA -0.245 57.733 58.000 -0.037 0.000 1.196 683 F CB 0.268 39.044 39.000 -0.373 0.000 1.053 683 F HN 0.463 nan 8.300 nan 0.000 0.578 684 Q N 0.930 120.992 119.800 0.437 0.000 2.349 684 Q HA 0.187 4.527 4.340 0.001 0.000 0.254 684 Q C -1.676 174.550 176.000 0.377 0.000 0.980 684 Q CA -0.371 55.656 55.803 0.373 0.000 0.924 684 Q CB 0.455 29.311 28.738 0.197 0.000 1.209 684 Q HN 0.174 nan 8.270 nan 0.000 0.445 685 Y N 5.714 126.156 120.300 0.236 0.000 2.587 685 Y HA 0.350 4.901 4.550 0.000 0.000 0.328 685 Y C -2.107 173.887 175.900 0.157 0.000 0.980 685 Y CA -2.482 55.743 58.100 0.209 0.000 1.272 685 Y CB 1.179 39.844 38.460 0.341 0.000 1.094 685 Y HN 0.627 nan 8.280 nan 0.000 0.503 686 P HA 0.072 nan 4.420 nan 0.000 0.270 686 P C 0.586 177.974 177.300 0.146 0.000 1.223 686 P CA 0.168 63.328 63.100 0.099 0.000 0.785 686 P CB 0.876 32.592 31.700 0.026 0.000 0.923 687 N N 0.417 119.179 118.700 0.103 0.000 2.091 687 N HA -0.287 4.453 4.740 0.001 0.000 0.193 687 N C 1.669 177.282 175.510 0.171 0.000 1.021 687 N CA 0.945 54.066 53.050 0.119 0.000 0.862 687 N CB -0.155 38.363 38.487 0.052 0.000 1.018 687 N HN 0.611 nan 8.380 nan 0.000 0.429 688 Q N 0.938 120.803 119.800 0.109 0.000 2.084 688 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 688 Q C 2.087 178.148 176.000 0.100 0.000 0.978 688 Q CA 1.468 57.328 55.803 0.095 0.000 0.844 688 Q CB -0.068 28.697 28.738 0.044 0.000 0.898 688 Q HN 0.378 nan 8.270 nan 0.000 0.426 689 A N 0.214 123.077 122.820 0.071 0.000 1.933 689 A HA -0.180 4.140 4.320 0.001 0.000 0.218 689 A C 1.835 179.620 177.584 0.335 0.000 1.175 689 A CA 1.203 53.275 52.037 0.057 0.000 0.628 689 A CB -0.915 17.941 19.000 -0.239 0.000 0.814 689 A HN 0.605 nan 8.150 nan 0.000 0.444 690 F N 0.644 120.745 119.950 0.252 0.000 2.102 690 F HA -0.133 4.394 4.527 0.001 0.000 0.298 690 F C 2.247 178.154 175.800 0.178 0.000 1.105 690 F CA 2.125 60.286 58.000 0.270 0.000 1.239 690 F CB -0.095 38.998 39.000 0.156 0.000 0.991 690 F HN 0.084 nan 8.300 nan 0.000 0.474 691 K N -0.040 120.575 120.400 0.358 0.000 2.057 691 K HA -0.185 4.135 4.320 0.001 0.000 0.207 691 K C 2.231 178.938 176.600 0.179 0.000 1.049 691 K CA 1.545 57.996 56.287 0.272 0.000 0.931 691 K CB -0.247 32.403 32.500 0.250 0.000 0.714 691 K HN 0.289 nan 8.250 nan 0.000 0.440 692 R N 0.624 121.194 120.500 0.116 0.000 2.082 692 R HA -0.155 4.185 4.340 0.001 0.000 0.234 692 R C 2.381 178.631 176.300 -0.084 0.000 1.136 692 R CA 1.392 57.506 56.100 0.024 0.000 0.935 692 R CB -0.568 29.495 30.300 -0.396 0.000 0.842 692 R HN 0.098 nan 8.270 nan 0.000 0.430 693 L N 0.303 121.413 121.223 -0.188 0.000 2.131 693 L HA -0.164 4.176 4.340 0.001 0.000 0.210 693 L C 2.157 178.874 176.870 -0.255 0.000 1.092 693 L CA 1.973 56.618 54.840 -0.325 0.000 0.759 693 L CB -0.667 41.151 42.059 -0.400 0.000 0.903 693 L HN 0.216 nan 8.230 nan 0.000 0.435 694 H N -0.798 118.061 119.070 -0.351 0.000 2.307 694 H HA -0.108 4.448 4.556 0.001 0.000 0.303 694 H C 1.758 176.991 175.328 -0.158 0.000 1.073 694 H CA 2.117 57.952 56.048 -0.356 0.000 1.338 694 H CB -0.061 29.415 29.762 -0.475 0.000 1.389 694 H HN 0.326 nan 8.280 nan 0.000 0.503 695 D N 0.284 120.651 120.400 -0.055 0.000 2.144 695 D HA -0.133 4.507 4.640 0.001 0.000 0.199 695 D C 2.280 178.390 176.300 -0.317 0.000 0.984 695 D CA 0.905 54.906 54.000 0.001 0.000 0.834 695 D CB -0.453 40.524 40.800 0.296 0.000 0.955 695 D HN 0.319 nan 8.370 nan 0.000 0.465 696 L N 0.389 121.222 121.223 -0.649 0.000 1.955 696 L HA -0.164 4.176 4.340 0.001 0.000 0.213 696 L C 1.962 178.648 176.870 -0.307 0.000 1.072 696 L CA 1.739 56.032 54.840 -0.912 0.000 0.755 696 L CB -0.592 41.166 42.059 -0.502 0.000 0.888 696 L HN -0.072 nan 8.230 nan 0.000 0.432 697 M N -1.097 118.404 119.600 -0.166 0.000 2.358 697 M HA -0.170 4.310 4.480 0.001 0.000 0.264 697 M C 2.291 178.565 176.300 -0.043 0.000 1.064 697 M CA 1.551 56.839 55.300 -0.021 0.000 1.093 697 M CB -1.657 30.974 32.600 0.053 0.000 1.401 697 M HN 0.553 nan 8.290 nan 0.000 0.440 698 H N 0.082 119.023 119.070 -0.214 0.000 2.276 698 H HA -0.172 4.385 4.556 0.001 0.000 0.301 698 H C 1.886 177.206 175.328 -0.014 0.000 1.073 698 H CA 2.173 58.111 56.048 -0.183 0.000 1.311 698 H CB -0.609 29.004 29.762 -0.249 0.000 1.379 698 H HN 0.240 nan 8.280 nan 0.000 0.494 699 F N 1.327 121.152 119.950 -0.209 0.000 2.046 699 F HA -0.268 4.260 4.527 0.000 0.000 0.297 699 F C 2.069 177.835 175.800 -0.056 0.000 1.123 699 F CA 2.039 59.974 58.000 -0.109 0.000 1.199 699 F CB -0.632 38.474 39.000 0.176 0.000 0.972 699 F HN 0.181 nan 8.300 nan 0.000 0.474 700 N N -0.119 118.701 118.700 0.200 0.000 2.137 700 N HA -0.178 4.562 4.740 0.001 0.000 0.190 700 N C 1.743 177.350 175.510 0.162 0.000 1.017 700 N CA 2.089 55.250 53.050 0.185 0.000 0.859 700 N CB -0.921 37.727 38.487 0.268 0.000 1.002 700 N HN 0.377 nan 8.380 nan 0.000 0.428 701 T N 0.538 115.134 114.554 0.070 0.000 2.770 701 T HA -0.004 4.346 4.350 0.001 0.000 0.263 701 T C 1.814 176.499 174.700 -0.023 0.000 1.039 701 T CA 0.434 62.570 62.100 0.060 0.000 1.142 701 T CB -0.233 68.579 68.868 -0.093 0.000 0.868 701 T HN 0.019 nan 8.240 nan 0.000 0.435 702 L N 1.857 122.947 121.223 -0.221 0.000 2.093 702 L HA 0.088 4.428 4.340 0.001 0.000 0.208 702 L C 2.020 178.716 176.870 -0.291 0.000 1.085 702 L CA 1.335 56.014 54.840 -0.267 0.000 0.755 702 L CB -0.952 40.864 42.059 -0.406 0.000 0.904 702 L HN 0.184 nan 8.230 nan 0.000 0.435 703 N N -0.570 117.853 118.700 -0.461 0.000 2.609 703 N HA -0.119 4.622 4.740 0.001 0.000 0.190 703 N C 0.450 175.829 175.510 -0.220 0.000 1.157 703 N CA 0.622 53.381 53.050 -0.485 0.000 0.918 703 N CB -0.043 37.959 38.487 -0.808 0.000 0.978 703 N HN 0.317 nan 8.380 nan 0.000 0.448 704 N N -1.691 116.956 118.700 -0.088 0.000 2.232 704 N HA 0.205 4.945 4.740 0.001 0.000 0.240 704 N C 1.201 176.737 175.510 0.044 0.000 1.307 704 N CA 0.362 53.399 53.050 -0.022 0.000 0.859 704 N CB 0.240 38.720 38.487 -0.011 0.000 1.260 704 N HN 0.122 nan 8.380 nan 0.000 0.501 705 I N 0.815 121.392 120.570 0.012 0.000 2.151 705 I HA -0.299 3.872 4.170 0.001 0.000 0.243 705 I C 2.108 178.233 176.117 0.013 0.000 1.080 705 I CA 2.436 63.750 61.300 0.025 0.000 1.339 705 I CB -1.134 36.856 38.000 -0.016 0.000 1.039 705 I HN 0.284 nan 8.210 nan 0.000 0.409 706 D N 0.950 121.338 120.400 -0.020 0.000 2.172 706 D HA -0.197 4.443 4.640 0.001 0.000 0.196 706 D C 1.977 178.264 176.300 -0.021 0.000 0.999 706 D CA 1.944 55.928 54.000 -0.027 0.000 0.856 706 D CB -1.256 39.517 40.800 -0.046 0.000 0.934 706 D HN 0.466 nan 8.370 nan 0.000 0.453 707 V N 1.031 120.930 119.914 -0.025 0.000 2.515 707 V HA -0.189 3.931 4.120 0.001 0.000 0.250 707 V C 2.645 178.743 176.094 0.007 0.000 1.058 707 V CA 1.068 63.348 62.300 -0.033 0.000 1.064 707 V CB -0.418 31.357 31.823 -0.082 0.000 0.675 707 V HN 0.186 nan 8.190 nan 0.000 0.461 708 I N -0.530 120.070 120.570 0.050 0.000 2.277 708 I HA -0.156 4.014 4.170 0.001 0.000 0.243 708 I C 2.514 178.654 176.117 0.038 0.000 1.094 708 I CA 1.255 62.598 61.300 0.073 0.000 1.393 708 I CB -0.378 37.691 38.000 0.115 0.000 1.078 708 I HN 0.161 nan 8.210 nan 0.000 0.417 709 K N 1.032 121.445 120.400 0.023 0.000 2.089 709 K HA -0.266 4.054 4.320 0.001 0.000 0.210 709 K C 2.401 179.003 176.600 0.003 0.000 1.048 709 K CA 2.330 58.622 56.287 0.007 0.000 0.926 709 K CB -0.457 32.041 32.500 -0.003 0.000 0.714 709 K HN 0.454 nan 8.250 nan 0.000 0.448 710 E N 0.883 121.082 120.200 -0.001 0.000 2.031 710 E HA -0.151 4.199 4.350 0.001 0.000 0.193 710 E C 2.020 178.619 176.600 -0.001 0.000 0.994 710 E CA 1.500 57.896 56.400 -0.007 0.000 0.800 710 E CB -0.965 28.724 29.700 -0.018 0.000 0.752 710 E HN 0.462 nan 8.360 nan 0.000 0.447 711 A N -0.166 122.658 122.820 0.007 0.000 2.024 711 A HA -0.041 4.279 4.320 0.001 0.000 0.220 711 A C 2.491 180.087 177.584 0.019 0.000 1.164 711 A CA 1.909 53.955 52.037 0.015 0.000 0.643 711 A CB -0.404 18.614 19.000 0.031 0.000 0.806 711 A HN 0.534 nan 8.150 nan 0.000 0.451 712 M N -1.184 118.427 119.600 0.018 0.000 2.098 712 M HA -0.107 4.374 4.480 0.001 0.000 0.262 712 M C 2.146 178.450 176.300 0.006 0.000 1.072 712 M CA 1.332 56.640 55.300 0.014 0.000 1.133 712 M CB -0.377 32.229 32.600 0.010 0.000 1.344 712 M HN 0.248 nan 8.290 nan 0.000 0.414 713 V N 0.901 120.817 119.914 0.002 0.000 2.282 713 V HA -0.316 3.805 4.120 0.001 0.000 0.249 713 V C 2.019 178.113 176.094 0.001 0.000 1.057 713 V CA 2.142 64.442 62.300 0.000 0.000 1.032 713 V CB -0.840 30.982 31.823 -0.002 0.000 0.645 713 V HN 0.512 nan 8.190 nan 0.000 0.447 714 E N -0.284 119.917 120.200 0.002 0.000 2.153 714 E HA -0.159 4.192 4.350 0.001 0.000 0.194 714 E C 2.383 178.986 176.600 0.005 0.000 0.988 714 E CA 1.382 57.782 56.400 0.001 0.000 0.811 714 E CB -0.200 29.500 29.700 -0.000 0.000 0.746 714 E HN 0.532 nan 8.360 nan 0.000 0.466 715 S N 0.812 116.517 115.700 0.008 0.000 2.368 715 S HA -0.081 4.389 4.470 0.001 0.000 0.224 715 S C 2.026 176.630 174.600 0.007 0.000 1.029 715 S CA 0.657 58.863 58.200 0.011 0.000 0.988 715 S CB -0.094 63.116 63.200 0.017 0.000 0.838 715 S HN 0.211 nan 8.310 nan 0.000 0.462 716 I N 1.958 122.530 120.570 0.004 0.000 2.179 716 I HA -0.169 4.001 4.170 0.001 0.000 0.242 716 I C 2.986 179.105 176.117 0.003 0.000 1.088 716 I CA 1.705 63.005 61.300 0.001 0.000 1.357 716 I CB -0.885 37.114 38.000 -0.002 0.000 1.051 716 I HN 0.392 nan 8.210 nan 0.000 0.409 717 E N 0.227 120.429 120.200 0.003 0.000 2.338 717 E HA -0.224 4.126 4.350 0.001 0.000 0.197 717 E C 2.104 178.707 176.600 0.004 0.000 1.007 717 E CA 1.548 57.951 56.400 0.004 0.000 0.849 717 E CB -1.614 28.088 29.700 0.002 0.000 0.774 717 E HN 0.771 nan 8.360 nan 0.000 0.506 718 Y N -0.784 119.519 120.300 0.005 0.000 2.448 718 Y HA 0.433 4.984 4.550 0.001 0.000 0.289 718 Y C 2.701 178.605 175.900 0.007 0.000 1.114 718 Y CA 1.350 59.454 58.100 0.006 0.000 1.235 718 Y CB -0.752 37.713 38.460 0.007 0.000 1.045 718 Y HN 0.597 nan 8.280 nan 0.000 0.554 719 R N 1.173 121.677 120.500 0.007 0.000 2.346 719 R HA 0.415 4.755 4.340 0.001 0.000 0.225 719 R C 1.331 177.634 176.300 0.005 0.000 0.987 719 R CA 0.705 56.809 56.100 0.006 0.000 1.106 719 R CB -1.695 28.608 30.300 0.005 0.000 1.090 719 R HN 0.935 nan 8.270 nan 0.000 0.502 720 R N -0.522 119.981 120.500 0.005 0.000 2.767 720 R HA 0.613 4.953 4.340 0.001 0.000 0.377 720 R C 0.491 176.794 176.300 0.005 0.000 1.151 720 R CA 0.786 56.889 56.100 0.005 0.000 1.046 720 R CB -0.677 29.626 30.300 0.005 0.000 1.404 720 R HN 1.217 nan 8.270 nan 0.000 0.580 721 Q N 0.000 119.803 119.800 0.005 0.000 2.315 721 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 721 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 721 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 721 Q HN 0.000 nan 8.270 nan 0.000 0.481