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 1svd_1_A DATA FIRST_RESID 16 DATA SEQUENCE TYWMPEYTPL DSDILACFKI TPQPGVDREE AAAAVAAESS TGTWTTVWTD DATA SEQUENCE LLTDMDYYKG RAYRIEDVPG DDAAFYAFIA YPIDLFEEGS VVNVFTSLVG DATA SEQUENCE NVFGFKAVRG LRLEDVRFPL AYVKTCGGPP HGIQVERDKM NKYGRPLLGC DATA SEQUENCE TIKPKLGLSA KNYGRAVYEC LRGGLDFTKD DENINSQPFM RWRDRFLFVQ DATA SEQUENCE DATETAEAQT GERKGHYLNV TAPTPEEMYK RAEFAKEIGA PIIMHDYITG DATA SEQUENCE GFTANTGLAK WCQDNGVLLH IHRAMHAVID RNPNHGIHFR VLTKILRLSG DATA SEQUENCE GDHLHTGTVV GKLEGDRAST LGWIDLLRES FIPEDRSRGI FFDQDWGSMP DATA SEQUENCE GVFAVASGGI HVWHMPALVN IFGDDSVLQF GGGTLGHPWG NAAGAAANRV DATA SEQUENCE ALEACVEARN QGRDIEKEGK EILTAAAQHS PELKIAMETW KEIKF 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.521 174.700 -0.298 0.000 1.109 16 T CA 0.000 62.016 62.100 -0.141 0.000 1.349 16 T CB 0.000 68.707 68.868 -0.268 0.000 0.612 17 Y N 0.403 120.761 120.300 0.097 0.000 2.430 17 Y HA 0.453 5.009 4.550 0.010 0.000 0.248 17 Y C 0.619 176.615 175.900 0.160 0.000 1.108 17 Y CA -1.358 56.779 58.100 0.062 0.000 1.264 17 Y CB 0.697 39.183 38.460 0.043 0.000 1.172 17 Y HN 0.441 nan 8.280 nan 0.000 0.520 18 W N 2.830 124.212 121.300 0.137 0.000 2.308 18 W HA 0.499 5.166 4.660 0.010 0.000 0.311 18 W C -1.363 175.200 176.519 0.074 0.000 1.088 18 W CA -0.641 56.767 57.345 0.104 0.000 1.309 18 W CB 0.559 30.079 29.460 0.100 0.000 1.229 18 W HN -0.087 nan 8.180 nan 0.000 0.427 19 M N 9.758 129.038 119.600 -0.534 0.000 2.353 19 M HA 0.137 4.623 4.480 0.011 0.000 0.218 19 M C -1.722 174.263 176.300 -0.525 0.000 1.044 19 M CA -1.416 53.627 55.300 -0.427 0.000 0.615 19 M CB 1.391 33.873 32.600 -0.197 0.000 1.531 19 M HN 0.120 nan 8.290 nan 0.000 0.378 20 P HA -0.116 nan 4.420 nan 0.000 0.230 20 P C 0.443 177.624 177.300 -0.199 0.000 1.158 20 P CA 1.246 63.975 63.100 -0.618 0.000 0.769 20 P CB 0.240 31.621 31.700 -0.531 0.000 0.807 21 E N -1.499 118.615 120.200 -0.144 0.000 2.479 21 E HA -0.026 4.330 4.350 0.011 0.000 0.193 21 E C 0.293 176.880 176.600 -0.021 0.000 1.049 21 E CA -0.398 55.967 56.400 -0.059 0.000 0.870 21 E CB -0.400 29.271 29.700 -0.048 0.000 0.944 21 E HN 0.338 nan 8.360 nan 0.000 0.492 22 Y N 2.292 122.514 120.300 -0.129 0.000 2.544 22 Y HA -0.010 4.546 4.550 0.010 0.000 0.330 22 Y C -0.037 175.768 175.900 -0.160 0.000 1.136 22 Y CA 0.278 58.299 58.100 -0.132 0.000 1.417 22 Y CB 0.618 38.997 38.460 -0.135 0.000 1.229 22 Y HN -0.313 nan 8.280 nan 0.000 0.532 23 T N 9.805 123.884 114.554 -0.792 0.000 2.753 23 T HA 0.285 4.642 4.350 0.011 0.000 0.297 23 T C -2.509 171.524 174.700 -1.112 0.000 0.981 23 T CA -1.357 60.319 62.100 -0.706 0.000 0.956 23 T CB 0.709 69.327 68.868 -0.416 0.000 0.936 23 T HN 0.461 nan 8.240 nan 0.000 0.463 24 P HA 0.130 nan 4.420 nan 0.000 0.266 24 P C -0.196 176.877 177.300 -0.379 0.000 1.195 24 P CA -0.263 62.464 63.100 -0.622 0.000 0.768 24 P CB 0.468 31.880 31.700 -0.480 0.000 0.838 25 L N 2.475 123.571 121.223 -0.210 0.000 2.436 25 L HA 0.141 4.488 4.340 0.011 0.000 0.265 25 L C 1.400 178.227 176.870 -0.071 0.000 1.168 25 L CA -0.288 54.487 54.840 -0.109 0.000 0.815 25 L CB 0.214 42.260 42.059 -0.023 0.000 1.109 25 L HN 0.322 nan 8.230 nan 0.000 0.462 26 D N -0.144 120.227 120.400 -0.048 0.000 2.310 26 D HA -0.108 4.539 4.640 0.011 0.000 0.212 26 D C 1.833 178.132 176.300 -0.002 0.000 0.965 26 D CA 1.268 55.252 54.000 -0.026 0.000 0.879 26 D CB 0.184 40.975 40.800 -0.015 0.000 0.921 26 D HN 0.628 nan 8.370 nan 0.000 0.510 27 S N -0.447 115.263 115.700 0.018 0.000 2.548 27 S HA 0.007 4.484 4.470 0.011 0.000 0.215 27 S C 0.547 175.184 174.600 0.061 0.000 0.976 27 S CA -0.433 57.800 58.200 0.054 0.000 0.908 27 S CB 0.370 63.619 63.200 0.081 0.000 0.781 27 S HN -0.102 nan 8.310 nan 0.000 0.519 28 D N 1.953 122.371 120.400 0.030 0.000 2.382 28 D HA 0.347 4.993 4.640 0.011 0.000 0.245 28 D C -0.246 176.046 176.300 -0.012 0.000 1.120 28 D CA -0.217 53.810 54.000 0.045 0.000 0.890 28 D CB 0.558 41.381 40.800 0.038 0.000 1.201 28 D HN 0.141 nan 8.370 nan 0.000 0.433 29 I N 2.048 122.628 120.570 0.016 0.000 2.496 29 I HA 0.090 4.267 4.170 0.011 0.000 0.285 29 I C 0.137 176.225 176.117 -0.048 0.000 1.080 29 I CA 0.059 61.260 61.300 -0.166 0.000 1.404 29 I CB 0.361 38.155 38.000 -0.343 0.000 1.403 29 I HN 0.059 nan 8.210 nan 0.000 0.539 30 L N 6.108 127.158 121.223 -0.288 0.000 2.334 30 L HA 0.890 5.236 4.340 0.011 0.000 0.273 30 L C -0.165 176.533 176.870 -0.286 0.000 1.013 30 L CA -0.809 53.885 54.840 -0.243 0.000 0.816 30 L CB 1.636 43.319 42.059 -0.626 0.000 1.278 30 L HN 0.654 nan 8.230 nan 0.000 0.431 31 A N 1.207 124.094 122.820 0.111 0.000 2.386 31 A HA 0.609 4.936 4.320 0.011 0.000 0.311 31 A C -1.166 176.532 177.584 0.190 0.000 1.068 31 A CA -0.480 51.601 52.037 0.073 0.000 0.743 31 A CB 1.772 20.789 19.000 0.028 0.000 1.258 31 A HN 0.798 nan 8.150 nan 0.000 0.429 32 C N 3.062 122.339 119.300 -0.039 0.000 2.271 32 C HA 0.798 5.265 4.460 0.011 0.000 0.323 32 C C -1.155 173.485 174.990 -0.584 0.000 1.245 32 C CA -0.781 57.934 59.018 -0.505 0.000 1.548 32 C CB -1.766 25.406 27.740 -0.947 0.000 2.214 32 C HN 0.561 nan 8.230 nan 0.000 0.477 33 F N 4.509 124.240 119.950 -0.365 0.000 2.427 33 F HA 0.430 4.963 4.527 0.010 0.000 0.346 33 F C 0.481 176.112 175.800 -0.282 0.000 1.120 33 F CA -0.385 57.454 58.000 -0.269 0.000 1.033 33 F CB 1.235 40.090 39.000 -0.242 0.000 1.126 33 F HN 0.486 nan 8.300 nan 0.000 0.462 34 K N 5.120 125.510 120.400 -0.015 0.000 2.285 34 K HA 0.478 4.804 4.320 0.011 0.000 0.286 34 K C -0.964 175.516 176.600 -0.200 0.000 1.072 34 K CA -0.123 56.113 56.287 -0.085 0.000 0.913 34 K CB 0.329 32.839 32.500 0.017 0.000 1.067 34 K HN 0.637 nan 8.250 nan 0.000 0.479 35 I N 3.924 124.200 120.570 -0.489 0.000 2.339 35 I HA 0.134 4.310 4.170 0.011 0.000 0.290 35 I C -0.246 175.634 176.117 -0.396 0.000 0.994 35 I CA -0.685 60.305 61.300 -0.516 0.000 1.191 35 I CB 2.059 39.522 38.000 -0.895 0.000 1.343 35 I HN 0.533 nan 8.210 nan 0.000 0.458 36 T N 7.766 122.222 114.554 -0.162 0.000 3.016 36 T HA 0.290 4.647 4.350 0.011 0.000 0.335 36 T C -2.326 172.358 174.700 -0.026 0.000 1.176 36 T CA -1.271 60.791 62.100 -0.063 0.000 0.987 36 T CB 0.421 69.277 68.868 -0.021 0.000 1.073 36 T HN 0.374 nan 8.240 nan 0.000 0.547 37 P HA 0.165 nan 4.420 nan 0.000 0.276 37 P C -0.385 176.908 177.300 -0.011 0.000 1.252 37 P CA -0.713 62.407 63.100 0.034 0.000 0.802 37 P CB 0.793 32.583 31.700 0.151 0.000 1.035 38 Q N 0.929 120.696 119.800 -0.055 0.000 2.300 38 Q HA 0.149 4.496 4.340 0.011 0.000 0.280 38 Q C -1.921 174.055 176.000 -0.041 0.000 1.033 38 Q CA -1.126 54.639 55.803 -0.064 0.000 0.903 38 Q CB -0.882 27.794 28.738 -0.102 0.000 1.195 38 Q HN 0.328 nan 8.270 nan 0.000 0.386 39 P HA -0.054 nan 4.420 nan 0.000 0.264 39 P C 0.708 177.985 177.300 -0.039 0.000 1.183 39 P CA 1.179 64.262 63.100 -0.028 0.000 0.763 39 P CB 0.399 32.083 31.700 -0.026 0.000 0.807 40 G N 1.115 109.891 108.800 -0.040 0.000 2.258 40 G HA2 -0.225 3.742 3.960 0.011 0.000 0.233 40 G HA3 -0.225 3.742 3.960 0.011 0.000 0.233 40 G C 0.112 174.976 174.900 -0.060 0.000 1.006 40 G CA -0.144 44.926 45.100 -0.050 0.000 0.620 40 G HN 0.547 nan 8.290 nan 0.000 0.511 41 V N 1.891 121.772 119.914 -0.056 0.000 2.555 41 V HA 0.381 4.507 4.120 0.011 0.000 0.286 41 V C 0.754 176.804 176.094 -0.073 0.000 1.044 41 V CA 0.234 62.498 62.300 -0.060 0.000 1.026 41 V CB 1.401 33.194 31.823 -0.049 0.000 0.981 41 V HN 0.469 nan 8.190 nan 0.000 0.480 42 D N 3.910 124.252 120.400 -0.096 0.000 2.450 42 D HA 0.053 4.700 4.640 0.011 0.000 0.247 42 D C 1.350 177.526 176.300 -0.207 0.000 1.162 42 D CA 0.138 54.047 54.000 -0.151 0.000 0.879 42 D CB 0.655 41.372 40.800 -0.139 0.000 1.163 42 D HN 0.428 nan 8.370 nan 0.000 0.472 43 R N 2.490 122.763 120.500 -0.378 0.000 2.083 43 R HA -0.169 4.178 4.340 0.011 0.000 0.237 43 R C 1.692 177.665 176.300 -0.545 0.000 1.137 43 R CA 1.529 57.198 56.100 -0.718 0.000 0.951 43 R CB -0.103 29.501 30.300 -1.161 0.000 0.851 43 R HN 0.654 nan 8.270 nan 0.000 0.434 44 E N 0.070 119.909 120.200 -0.601 0.000 2.106 44 E HA -0.210 4.146 4.350 0.011 0.000 0.192 44 E C 1.884 178.274 176.600 -0.350 0.000 0.984 44 E CA 0.976 56.891 56.400 -0.808 0.000 0.806 44 E CB 0.041 29.052 29.700 -1.150 0.000 0.750 44 E HN 0.234 nan 8.360 nan 0.000 0.458 45 E N 1.198 121.284 120.200 -0.191 0.000 2.072 45 E HA -0.138 4.218 4.350 0.011 0.000 0.191 45 E C 1.879 178.527 176.600 0.079 0.000 0.985 45 E CA 1.374 57.756 56.400 -0.030 0.000 0.801 45 E CB -0.202 29.469 29.700 -0.048 0.000 0.750 45 E HN 0.210 nan 8.360 nan 0.000 0.452 46 A N 0.872 123.754 122.820 0.104 0.000 1.902 46 A HA -0.056 4.270 4.320 0.011 0.000 0.217 46 A C 2.459 180.162 177.584 0.198 0.000 1.181 46 A CA 2.167 54.358 52.037 0.256 0.000 0.623 46 A CB -1.100 18.101 19.000 0.335 0.000 0.818 46 A HN 0.396 nan 8.150 nan 0.000 0.443 47 A N -0.129 122.803 122.820 0.187 0.000 1.877 47 A HA 0.147 4.473 4.320 0.011 0.000 0.216 47 A C 2.522 180.179 177.584 0.122 0.000 1.186 47 A CA 2.176 54.313 52.037 0.166 0.000 0.620 47 A CB -1.067 18.060 19.000 0.212 0.000 0.822 47 A HN 1.088 nan 8.150 nan 0.000 0.443 48 A N -0.169 122.754 122.820 0.171 0.000 1.902 48 A HA 0.141 4.467 4.320 0.011 0.000 0.217 48 A C 2.501 180.118 177.584 0.055 0.000 1.181 48 A CA 2.160 54.332 52.037 0.225 0.000 0.623 48 A CB -1.000 18.205 19.000 0.342 0.000 0.818 48 A HN 1.069 nan 8.150 nan 0.000 0.443 49 A N -0.633 122.253 122.820 0.110 0.000 1.902 49 A HA 0.006 4.332 4.320 0.011 0.000 0.217 49 A C 2.221 179.534 177.584 -0.450 0.000 1.181 49 A CA 1.773 53.839 52.037 0.047 0.000 0.623 49 A CB -0.890 18.208 19.000 0.164 0.000 0.818 49 A HN 0.393 nan 8.150 nan 0.000 0.443 50 V N -0.160 119.507 119.914 -0.412 0.000 2.427 50 V HA -0.224 3.903 4.120 0.011 0.000 0.248 50 V C 3.038 178.884 176.094 -0.413 0.000 1.051 50 V CA 1.814 63.794 62.300 -0.533 0.000 1.048 50 V CB -1.181 30.296 31.823 -0.577 0.000 0.666 50 V HN 0.613 nan 8.190 nan 0.000 0.456 51 A N 0.017 122.672 122.820 -0.274 0.000 1.902 51 A HA -0.123 4.203 4.320 0.011 0.000 0.217 51 A C 2.414 179.794 177.584 -0.340 0.000 1.181 51 A CA 2.150 54.069 52.037 -0.197 0.000 0.623 51 A CB -0.713 18.249 19.000 -0.063 0.000 0.818 51 A HN 0.559 nan 8.150 nan 0.000 0.443 52 A N -0.262 122.112 122.820 -0.743 0.000 1.873 52 A HA -0.135 4.192 4.320 0.011 0.000 0.215 52 A C 1.950 179.100 177.584 -0.723 0.000 1.186 52 A CA 1.521 52.855 52.037 -1.172 0.000 0.616 52 A CB -0.523 17.332 19.000 -1.907 0.000 0.823 52 A HN 0.609 nan 8.150 nan 0.000 0.442 53 E N 0.425 120.214 120.200 -0.686 0.000 2.072 53 E HA -0.127 4.230 4.350 0.011 0.000 0.191 53 E C 2.018 178.440 176.600 -0.297 0.000 0.985 53 E CA 1.396 57.484 56.400 -0.519 0.000 0.801 53 E CB -0.223 29.161 29.700 -0.525 0.000 0.750 53 E HN 0.736 nan 8.360 nan 0.000 0.452 54 S N -0.117 115.452 115.700 -0.219 0.000 2.660 54 S HA 0.014 4.490 4.470 0.011 0.000 0.223 54 S C 1.446 176.085 174.600 0.065 0.000 0.963 54 S CA 0.698 58.874 58.200 -0.040 0.000 0.932 54 S CB 0.071 63.316 63.200 0.075 0.000 0.775 54 S HN 0.215 nan 8.310 nan 0.000 0.531 55 S N 1.031 116.722 115.700 -0.015 0.000 4.098 55 S HA 0.055 4.532 4.470 0.011 0.000 0.193 55 S C 1.692 176.252 174.600 -0.066 0.000 1.049 55 S CA 0.472 58.682 58.200 0.017 0.000 1.034 55 S CB -0.637 62.624 63.200 0.102 0.000 1.380 55 S HN 0.511 nan 8.310 nan 0.000 0.629 56 T N -1.524 112.966 114.554 -0.107 0.000 3.051 56 T HA 0.475 4.831 4.350 0.011 0.000 0.255 56 T C 1.845 176.419 174.700 -0.210 0.000 1.085 56 T CA 1.344 63.373 62.100 -0.119 0.000 1.109 56 T CB -0.247 68.597 68.868 -0.041 0.000 0.921 56 T HN 1.611 nan 8.240 nan 0.000 0.488 57 G N 0.455 109.059 108.800 -0.327 0.000 2.234 57 G HA2 -0.224 3.742 3.960 0.011 0.000 0.260 57 G HA3 -0.224 3.742 3.960 0.011 0.000 0.260 57 G C 0.278 174.863 174.900 -0.525 0.000 0.987 57 G CA 0.615 45.494 45.100 -0.367 0.000 0.625 57 G HN 1.073 nan 8.290 nan 0.000 0.532 58 T N -2.349 111.852 114.554 -0.588 0.000 2.868 58 T HA 0.558 4.914 4.350 0.011 0.000 0.306 58 T C 0.127 174.509 174.700 -0.529 0.000 1.224 58 T CA 0.066 61.858 62.100 -0.514 0.000 1.012 58 T CB 0.805 69.580 68.868 -0.155 0.000 1.221 58 T HN 0.268 nan 8.240 nan 0.000 0.499 59 W N 1.382 122.684 121.300 0.003 0.000 2.808 59 W HA 0.155 4.821 4.660 0.011 0.000 0.266 59 W C 1.000 177.572 176.519 0.089 0.000 1.247 59 W CA 0.171 57.566 57.345 0.083 0.000 1.440 59 W CB -0.344 29.151 29.460 0.058 0.000 1.040 59 W HN 0.754 nan 8.180 nan 0.000 0.606 60 T N -0.033 114.692 114.554 0.284 0.000 2.743 60 T HA 0.354 4.711 4.350 0.011 0.000 0.293 60 T C 0.126 174.895 174.700 0.115 0.000 0.945 60 T CA -0.155 62.055 62.100 0.184 0.000 1.030 60 T CB 1.855 70.817 68.868 0.157 0.000 0.912 60 T HN -0.292 nan 8.240 nan 0.000 0.483 61 T N 3.985 118.598 114.554 0.099 0.000 2.888 61 T HA 0.435 4.791 4.350 0.011 0.000 0.301 61 T C 0.749 175.486 174.700 0.062 0.000 1.001 61 T CA -0.503 61.636 62.100 0.065 0.000 1.147 61 T CB 0.374 69.280 68.868 0.065 0.000 0.931 61 T HN 0.862 nan 8.240 nan 0.000 0.541 62 V N 2.204 122.135 119.914 0.029 0.000 3.103 62 V HA 0.548 4.674 4.120 0.011 0.000 0.318 62 V C 1.368 177.481 176.094 0.031 0.000 1.114 62 V CA -1.182 61.142 62.300 0.041 0.000 1.020 62 V CB 1.313 33.123 31.823 -0.021 0.000 1.085 62 V HN 1.012 nan 8.190 nan 0.000 0.446 63 W N 0.710 122.020 121.300 0.016 0.000 2.374 63 W HA -0.150 4.517 4.660 0.011 0.000 0.288 63 W C 1.629 178.153 176.519 0.009 0.000 1.218 63 W CA 2.183 59.536 57.345 0.012 0.000 1.245 63 W CB -1.872 27.594 29.460 0.010 0.000 1.126 63 W HN 0.809 nan 8.180 nan 0.000 0.545 64 T N -1.132 112.855 114.554 -0.945 0.000 2.881 64 T HA -0.213 4.144 4.350 0.011 0.000 0.270 64 T C 1.269 175.761 174.700 -0.346 0.000 1.068 64 T CA 1.614 63.189 62.100 -0.875 0.000 1.131 64 T CB -0.648 67.661 68.868 -0.932 0.000 0.871 64 T HN -0.011 nan 8.240 nan 0.000 0.479 65 D N 1.763 122.033 120.400 -0.216 0.000 2.149 65 D HA -0.016 4.630 4.640 0.011 0.000 0.198 65 D C 1.941 178.214 176.300 -0.044 0.000 0.990 65 D CA 0.850 54.789 54.000 -0.101 0.000 0.839 65 D CB -0.252 40.519 40.800 -0.049 0.000 0.948 65 D HN 0.408 nan 8.370 nan 0.000 0.460 66 L N 0.388 121.607 121.223 -0.006 0.000 2.551 66 L HA -0.018 4.328 4.340 0.011 0.000 0.228 66 L C 2.113 179.012 176.870 0.047 0.000 1.153 66 L CA 0.093 54.959 54.840 0.044 0.000 0.851 66 L CB -0.108 42.007 42.059 0.093 0.000 0.959 66 L HN -0.015 nan 8.230 nan 0.000 0.451 67 L N -0.671 120.561 121.223 0.015 0.000 2.552 67 L HA 0.024 4.370 4.340 0.011 0.000 0.227 67 L C 1.200 178.070 176.870 -0.002 0.000 1.146 67 L CA 0.242 55.092 54.840 0.016 0.000 0.858 67 L CB -0.569 41.478 42.059 -0.020 0.000 0.969 67 L HN 0.366 nan 8.230 nan 0.000 0.451 68 T N -5.256 109.295 114.554 -0.005 0.000 2.940 68 T HA 0.243 4.600 4.350 0.011 0.000 0.288 68 T C -0.380 174.366 174.700 0.078 0.000 1.045 68 T CA -0.812 61.299 62.100 0.018 0.000 1.018 68 T CB 2.317 71.171 68.868 -0.024 0.000 1.151 68 T HN -0.175 nan 8.240 nan 0.000 0.529 69 D N 1.058 121.559 120.400 0.169 0.000 2.483 69 D HA 0.231 4.877 4.640 0.011 0.000 0.220 69 D C 1.199 177.630 176.300 0.219 0.000 1.173 69 D CA -0.364 53.746 54.000 0.182 0.000 0.964 69 D CB -0.168 40.749 40.800 0.194 0.000 1.046 69 D HN 0.539 nan 8.370 nan 0.000 0.517 70 M N 0.907 120.571 119.600 0.107 0.000 2.213 70 M HA -0.134 4.352 4.480 0.011 0.000 0.263 70 M C 1.016 177.313 176.300 -0.004 0.000 1.062 70 M CA 1.033 56.364 55.300 0.052 0.000 1.105 70 M CB 0.097 32.697 32.600 -0.001 0.000 1.385 70 M HN 0.176 nan 8.290 nan 0.000 0.417 71 D N -0.551 119.845 120.400 -0.006 0.000 2.178 71 D HA -0.152 4.495 4.640 0.011 0.000 0.202 71 D C 1.657 177.915 176.300 -0.070 0.000 0.974 71 D CA 1.292 55.259 54.000 -0.055 0.000 0.841 71 D CB -0.181 40.605 40.800 -0.023 0.000 0.953 71 D HN 0.402 nan 8.370 nan 0.000 0.478 72 Y N 0.011 120.220 120.300 -0.152 0.000 2.201 72 Y HA -0.064 4.492 4.550 0.010 0.000 0.292 72 Y C 0.460 176.163 175.900 -0.328 0.000 1.119 72 Y CA 0.843 58.769 58.100 -0.291 0.000 1.127 72 Y CB -0.136 38.058 38.460 -0.443 0.000 1.019 72 Y HN -0.169 nan 8.280 nan 0.000 0.514 73 Y N 3.604 123.881 120.300 -0.039 0.000 2.667 73 Y HA 0.261 4.818 4.550 0.011 0.000 0.340 73 Y C -0.387 175.442 175.900 -0.120 0.000 1.303 73 Y CA -0.356 57.686 58.100 -0.097 0.000 1.769 73 Y CB -0.643 37.828 38.460 0.018 0.000 1.804 73 Y HN 0.015 nan 8.280 nan 0.000 0.451 74 K N -0.880 119.463 120.400 -0.096 0.000 2.578 74 K HA 0.659 4.985 4.320 0.011 0.000 0.269 74 K C -0.416 176.110 176.600 -0.124 0.000 0.941 74 K CA -1.192 55.076 56.287 -0.031 0.000 0.847 74 K CB 0.981 33.467 32.500 -0.024 0.000 1.397 74 K HN 0.354 nan 8.250 nan 0.000 0.422 75 G N 2.060 110.824 108.800 -0.061 0.000 2.483 75 G HA2 0.351 4.317 3.960 0.011 0.000 0.248 75 G HA3 0.351 4.317 3.960 0.011 0.000 0.248 75 G C -0.523 174.257 174.900 -0.199 0.000 1.248 75 G CA -0.703 44.210 45.100 -0.312 0.000 0.838 75 G HN 0.720 nan 8.290 nan 0.000 0.566 76 R N 1.091 121.408 120.500 -0.305 0.000 2.575 76 R HA 0.648 4.994 4.340 0.011 0.000 0.293 76 R C -0.645 175.661 176.300 0.010 0.000 0.983 76 R CA -0.814 55.196 56.100 -0.149 0.000 0.887 76 R CB 1.604 31.699 30.300 -0.341 0.000 1.184 76 R HN 0.534 nan 8.270 nan 0.000 0.445 77 A N 3.509 126.415 122.820 0.144 0.000 2.404 77 A HA 0.294 4.620 4.320 0.011 0.000 0.273 77 A C -0.263 177.447 177.584 0.211 0.000 1.144 77 A CA -0.580 51.618 52.037 0.268 0.000 0.806 77 A CB -0.312 18.969 19.000 0.469 0.000 1.080 77 A HN 0.926 nan 8.150 nan 0.000 0.509 78 Y N 0.749 121.142 120.300 0.154 0.000 2.471 78 Y HA 0.582 5.139 4.550 0.010 0.000 0.249 78 Y C 0.345 176.274 175.900 0.048 0.000 1.116 78 Y CA -0.486 57.601 58.100 -0.022 0.000 1.240 78 Y CB 0.315 38.855 38.460 0.133 0.000 1.251 78 Y HN 0.581 nan 8.280 nan 0.000 0.527 79 R N 0.925 121.413 120.500 -0.019 0.000 2.594 79 R HA 0.607 4.953 4.340 0.011 0.000 0.265 79 R C -2.292 174.320 176.300 0.520 0.000 1.070 79 R CA -0.577 55.662 56.100 0.232 0.000 0.909 79 R CB 1.690 31.994 30.300 0.007 0.000 1.243 79 R HN 0.273 nan 8.270 nan 0.000 0.455 80 I N 2.502 123.392 120.570 0.534 0.000 2.509 80 I HA 0.411 4.588 4.170 0.011 0.000 0.293 80 I C -0.571 175.787 176.117 0.402 0.000 1.020 80 I CA -0.614 60.957 61.300 0.453 0.000 1.088 80 I CB 2.309 40.424 38.000 0.192 0.000 1.267 80 I HN 0.579 nan 8.210 nan 0.000 0.430 81 E N 3.652 124.142 120.200 0.483 0.000 2.343 81 E HA 0.315 4.671 4.350 0.011 0.000 0.270 81 E C -1.572 175.216 176.600 0.313 0.000 0.895 81 E CA -1.002 55.641 56.400 0.404 0.000 0.767 81 E CB 1.916 31.952 29.700 0.560 0.000 1.248 81 E HN 0.396 nan 8.360 nan 0.000 0.440 82 D N 0.824 121.347 120.400 0.206 0.000 2.400 82 D HA 0.076 4.723 4.640 0.011 0.000 0.238 82 D C -0.498 175.838 176.300 0.060 0.000 1.157 82 D CA 0.112 54.181 54.000 0.115 0.000 0.889 82 D CB 0.960 41.814 40.800 0.089 0.000 1.199 82 D HN -0.026 nan 8.370 nan 0.000 0.436 83 V N 3.984 123.829 119.914 -0.116 0.000 2.385 83 V HA 0.202 4.328 4.120 0.011 0.000 0.269 83 V C -2.000 174.096 176.094 0.004 0.000 1.043 83 V CA -1.529 60.642 62.300 -0.216 0.000 0.906 83 V CB 1.103 32.681 31.823 -0.408 0.000 0.995 83 V HN 0.405 nan 8.190 nan 0.000 0.467 84 P HA 0.228 nan 4.420 nan 0.000 0.263 84 P C 1.035 178.375 177.300 0.066 0.000 1.195 84 P CA 1.205 64.359 63.100 0.091 0.000 0.762 84 P CB 0.641 32.411 31.700 0.117 0.000 0.799 85 G N 2.287 111.115 108.800 0.048 0.000 2.253 85 G HA2 -0.223 3.744 3.960 0.011 0.000 0.251 85 G HA3 -0.223 3.744 3.960 0.011 0.000 0.251 85 G C 0.059 174.976 174.900 0.029 0.000 0.998 85 G CA 0.244 45.368 45.100 0.040 0.000 0.621 85 G HN 0.649 nan 8.290 nan 0.000 0.524 86 D N 0.495 120.906 120.400 0.018 0.000 2.408 86 D HA 0.498 5.144 4.640 0.011 0.000 0.261 86 D C 0.634 176.933 176.300 -0.001 0.000 1.190 86 D CA -0.575 53.428 54.000 0.006 0.000 0.910 86 D CB 0.586 41.383 40.800 -0.004 0.000 1.097 86 D HN -0.011 nan 8.370 nan 0.000 0.522 87 D N 2.043 122.448 120.400 0.009 0.000 2.310 87 D HA -0.035 4.611 4.640 0.011 0.000 0.212 87 D C 1.556 177.866 176.300 0.017 0.000 0.965 87 D CA 0.476 54.483 54.000 0.012 0.000 0.879 87 D CB 0.264 41.070 40.800 0.010 0.000 0.921 87 D HN 0.488 nan 8.370 nan 0.000 0.510 88 A N -0.313 122.515 122.820 0.014 0.000 2.251 88 A HA 0.513 4.839 4.320 0.011 0.000 0.209 88 A C 0.915 178.518 177.584 0.032 0.000 1.187 88 A CA 0.448 52.497 52.037 0.020 0.000 0.823 88 A CB 0.178 19.184 19.000 0.010 0.000 0.846 88 A HN 0.166 nan 8.150 nan 0.000 0.486 89 A N -0.562 122.271 122.820 0.021 0.000 2.527 89 A HA 0.821 5.148 4.320 0.011 0.000 0.293 89 A C -0.793 176.806 177.584 0.026 0.000 1.117 89 A CA -0.630 51.395 52.037 -0.019 0.000 0.723 89 A CB 0.914 19.846 19.000 -0.114 0.000 1.313 89 A HN 1.093 nan 8.150 nan 0.000 0.411 90 F N -1.840 117.997 119.950 -0.188 0.000 2.645 90 F HA 0.772 5.305 4.527 0.011 0.000 0.310 90 F C -1.586 174.076 175.800 -0.230 0.000 1.102 90 F CA -1.272 56.604 58.000 -0.206 0.000 0.952 90 F CB 1.034 39.981 39.000 -0.089 0.000 1.326 90 F HN 0.504 nan 8.300 nan 0.000 0.456 91 Y N 1.483 121.830 120.300 0.078 0.000 2.313 91 Y HA 0.682 5.238 4.550 0.011 0.000 0.332 91 Y C 0.219 176.078 175.900 -0.068 0.000 1.071 91 Y CA -0.949 57.044 58.100 -0.180 0.000 1.169 91 Y CB 1.757 40.084 38.460 -0.223 0.000 1.192 91 Y HN 0.918 nan 8.280 nan 0.000 0.487 92 A N 4.371 127.128 122.820 -0.106 0.000 2.318 92 A HA 0.721 5.047 4.320 0.011 0.000 0.317 92 A C -1.512 175.940 177.584 -0.221 0.000 1.159 92 A CA -0.569 51.491 52.037 0.039 0.000 0.799 92 A CB 0.176 19.240 19.000 0.107 0.000 1.194 92 A HN 0.648 nan 8.150 nan 0.000 0.479 93 F N 2.488 122.454 119.950 0.026 0.000 2.411 93 F HA 0.593 5.126 4.527 0.011 0.000 0.352 93 F C 0.166 175.832 175.800 -0.222 0.000 1.123 93 F CA -0.329 57.593 58.000 -0.129 0.000 1.044 93 F CB 1.460 40.221 39.000 -0.398 0.000 1.135 93 F HN 0.336 nan 8.300 nan 0.000 0.461 94 I N 2.918 123.636 120.570 0.247 0.000 2.545 94 I HA 0.690 4.866 4.170 0.011 0.000 0.292 94 I C -0.561 175.699 176.117 0.239 0.000 1.040 94 I CA -1.032 60.390 61.300 0.203 0.000 1.068 94 I CB 2.014 40.070 38.000 0.092 0.000 1.251 94 I HN 0.628 nan 8.210 nan 0.000 0.424 95 A N 5.726 128.604 122.820 0.096 0.000 2.330 95 A HA 0.828 5.154 4.320 0.011 0.000 0.327 95 A C -1.650 175.728 177.584 -0.344 0.000 1.155 95 A CA -0.331 51.707 52.037 0.003 0.000 0.803 95 A CB 0.742 19.805 19.000 0.105 0.000 1.208 95 A HN 0.598 nan 8.150 nan 0.000 0.477 96 Y N 1.760 122.091 120.300 0.052 0.000 2.346 96 Y HA 0.431 4.988 4.550 0.011 0.000 0.332 96 Y C -2.452 173.464 175.900 0.026 0.000 0.985 96 Y CA -2.514 55.610 58.100 0.039 0.000 1.112 96 Y CB 1.777 40.375 38.460 0.229 0.000 1.170 96 Y HN 0.479 nan 8.280 nan 0.000 0.447 97 P HA 0.024 nan 4.420 nan 0.000 0.265 97 P C 1.135 178.514 177.300 0.133 0.000 1.187 97 P CA 0.237 63.301 63.100 -0.061 0.000 0.766 97 P CB 1.013 32.430 31.700 -0.472 0.000 0.820 98 I N 1.874 122.566 120.570 0.203 0.000 2.335 98 I HA -0.262 3.914 4.170 0.011 0.000 0.251 98 I C 0.946 177.268 176.117 0.342 0.000 1.129 98 I CA 1.693 63.190 61.300 0.328 0.000 1.402 98 I CB 0.011 38.175 38.000 0.272 0.000 1.069 98 I HN 0.256 nan 8.210 nan 0.000 0.424 99 D N 0.458 120.997 120.400 0.232 0.000 2.378 99 D HA -0.041 4.606 4.640 0.011 0.000 0.227 99 D C 2.055 178.431 176.300 0.127 0.000 1.012 99 D CA 0.605 54.743 54.000 0.229 0.000 0.905 99 D CB 0.015 41.020 40.800 0.341 0.000 0.895 99 D HN 0.408 nan 8.370 nan 0.000 0.532 100 L N -0.620 120.515 121.223 -0.146 0.000 2.376 100 L HA 0.000 4.347 4.340 0.011 0.000 0.219 100 L C 0.143 176.653 176.870 -0.601 0.000 1.133 100 L CA 0.580 55.137 54.840 -0.471 0.000 0.816 100 L CB -0.176 41.324 42.059 -0.932 0.000 0.933 100 L HN -0.098 nan 8.230 nan 0.000 0.449 101 F N -0.711 119.316 119.950 0.127 0.000 2.522 101 F HA 0.333 4.866 4.527 0.010 0.000 0.324 101 F C 0.619 176.534 175.800 0.192 0.000 1.077 101 F CA -1.436 56.641 58.000 0.129 0.000 0.944 101 F CB 0.942 39.986 39.000 0.074 0.000 1.175 101 F HN -0.207 nan 8.300 nan 0.000 0.468 102 E N 1.507 121.922 120.200 0.357 0.000 2.415 102 E HA 0.068 4.424 4.350 0.011 0.000 0.263 102 E C -0.697 176.118 176.600 0.358 0.000 0.995 102 E CA -0.349 56.219 56.400 0.279 0.000 0.915 102 E CB 0.527 30.349 29.700 0.204 0.000 0.951 102 E HN 0.525 nan 8.360 nan 0.000 0.449 103 E N 2.178 122.514 120.200 0.225 0.000 2.415 103 E HA 0.210 4.567 4.350 0.011 0.000 0.262 103 E C 0.754 177.338 176.600 -0.027 0.000 1.038 103 E CA 1.047 57.473 56.400 0.042 0.000 0.921 103 E CB 0.585 30.272 29.700 -0.021 0.000 0.950 103 E HN 0.765 nan 8.360 nan 0.000 0.438 104 G N 1.827 110.474 108.800 -0.254 0.000 2.249 104 G HA2 -0.309 3.658 3.960 0.011 0.000 0.273 104 G HA3 -0.309 3.658 3.960 0.011 0.000 0.273 104 G C 0.143 175.065 174.900 0.037 0.000 1.036 104 G CA 0.599 45.624 45.100 -0.125 0.000 0.824 104 G HN 0.452 nan 8.290 nan 0.000 0.504 105 S N -0.822 114.988 115.700 0.184 0.000 2.389 105 S HA 0.441 4.917 4.470 0.011 0.000 0.201 105 S C 1.458 176.208 174.600 0.249 0.000 1.422 105 S CA 0.356 58.681 58.200 0.210 0.000 1.216 105 S CB 0.697 64.026 63.200 0.215 0.000 1.130 105 S HN 1.504 nan 8.310 nan 0.000 0.465 106 V N 3.272 123.278 119.914 0.154 0.000 2.469 106 V HA -0.058 4.068 4.120 0.011 0.000 0.251 106 V C 1.891 178.103 176.094 0.196 0.000 1.064 106 V CA 1.839 64.200 62.300 0.102 0.000 1.066 106 V CB -1.225 30.529 31.823 -0.115 0.000 0.667 106 V HN 0.578 nan 8.190 nan 0.000 0.461 107 V N 1.585 121.633 119.914 0.224 0.000 2.287 107 V HA -0.313 3.814 4.120 0.011 0.000 0.248 107 V C 2.740 179.013 176.094 0.298 0.000 1.053 107 V CA 2.823 65.305 62.300 0.304 0.000 1.027 107 V CB -1.161 30.801 31.823 0.231 0.000 0.646 107 V HN 0.787 nan 8.190 nan 0.000 0.447 108 N N -0.002 118.848 118.700 0.249 0.000 2.188 108 N HA -0.129 4.617 4.740 0.011 0.000 0.184 108 N C 1.804 177.475 175.510 0.268 0.000 1.018 108 N CA 1.533 54.733 53.050 0.250 0.000 0.858 108 N CB 0.121 38.764 38.487 0.261 0.000 0.989 108 N HN 0.347 nan 8.380 nan 0.000 0.426 109 V N 0.964 120.988 119.914 0.184 0.000 2.295 109 V HA -0.201 3.926 4.120 0.011 0.000 0.246 109 V C 2.094 178.236 176.094 0.080 0.000 1.049 109 V CA 1.527 63.789 62.300 -0.064 0.000 1.024 109 V CB -0.845 30.786 31.823 -0.321 0.000 0.648 109 V HN 0.257 nan 8.190 nan 0.000 0.447 110 F N 1.381 121.366 119.950 0.059 0.000 2.102 110 F HA -0.196 4.338 4.527 0.011 0.000 0.298 110 F C 2.497 178.359 175.800 0.104 0.000 1.105 110 F CA 2.265 60.329 58.000 0.107 0.000 1.239 110 F CB -0.621 38.521 39.000 0.236 0.000 0.991 110 F HN 0.100 nan 8.300 nan 0.000 0.474 111 T N -0.589 114.096 114.554 0.218 0.000 2.788 111 T HA -0.168 4.188 4.350 0.011 0.000 0.268 111 T C 2.178 176.897 174.700 0.032 0.000 1.044 111 T CA 1.675 63.827 62.100 0.087 0.000 1.139 111 T CB -0.446 68.506 68.868 0.139 0.000 0.867 111 T HN 0.238 nan 8.240 nan 0.000 0.454 112 S N 1.256 117.009 115.700 0.088 0.000 2.368 112 S HA 0.093 4.569 4.470 0.011 0.000 0.224 112 S C 2.004 176.609 174.600 0.008 0.000 1.029 112 S CA 0.799 59.044 58.200 0.075 0.000 0.988 112 S CB -0.329 62.995 63.200 0.207 0.000 0.838 112 S HN 0.360 nan 8.310 nan 0.000 0.462 113 L N 1.011 122.215 121.223 -0.031 0.000 2.179 113 L HA 0.074 4.421 4.340 0.011 0.000 0.208 113 L C 1.885 178.812 176.870 0.095 0.000 1.096 113 L CA 0.841 55.669 54.840 -0.021 0.000 0.779 113 L CB -0.161 41.843 42.059 -0.091 0.000 0.922 113 L HN 0.356 nan 8.230 nan 0.000 0.443 114 V N -5.113 114.780 119.914 -0.036 0.000 3.346 114 V HA 0.389 4.515 4.120 0.011 0.000 0.309 114 V C 1.686 177.782 176.094 0.003 0.000 1.457 114 V CA 0.436 62.778 62.300 0.070 0.000 1.069 114 V CB -0.036 31.584 31.823 -0.338 0.000 0.944 114 V HN 0.175 nan 8.190 nan 0.000 0.449 115 G N 1.489 110.270 108.800 -0.032 0.000 2.408 115 G HA2 -0.145 3.822 3.960 0.011 0.000 0.217 115 G HA3 -0.145 3.822 3.960 0.011 0.000 0.217 115 G C 1.227 176.144 174.900 0.029 0.000 1.150 115 G CA 1.267 46.356 45.100 -0.020 0.000 0.776 115 G HN 0.555 nan 8.290 nan 0.000 0.542 116 N N -0.764 117.960 118.700 0.041 0.000 2.325 116 N HA -0.007 4.739 4.740 0.011 0.000 0.220 116 N C 2.229 177.770 175.510 0.053 0.000 1.176 116 N CA 0.875 53.948 53.050 0.039 0.000 0.861 116 N CB 0.474 38.950 38.487 -0.018 0.000 1.230 116 N HN 0.262 nan 8.380 nan 0.000 0.479 117 V N -1.112 118.801 119.914 -0.001 0.000 2.759 117 V HA 0.016 4.142 4.120 0.011 0.000 0.256 117 V C 1.601 177.615 176.094 -0.135 0.000 1.080 117 V CA 1.175 63.377 62.300 -0.163 0.000 1.101 117 V CB -1.198 30.381 31.823 -0.407 0.000 0.698 117 V HN -0.066 nan 8.190 nan 0.000 0.477 118 F N 2.461 122.422 119.950 0.019 0.000 2.699 118 F HA 0.299 4.832 4.527 0.011 0.000 0.298 118 F C 2.312 178.235 175.800 0.205 0.000 1.154 118 F CA 1.085 59.140 58.000 0.093 0.000 1.457 118 F CB -0.581 38.422 39.000 0.005 0.000 1.106 118 F HN 0.331 nan 8.300 nan 0.000 0.585 119 G N -1.228 107.732 108.800 0.266 0.000 3.088 119 G HA2 -0.071 3.895 3.960 0.011 0.000 0.217 119 G HA3 -0.071 3.895 3.960 0.011 0.000 0.217 119 G C 0.207 175.229 174.900 0.204 0.000 1.159 119 G CA -0.234 44.988 45.100 0.204 0.000 0.760 119 G HN 0.131 nan 8.290 nan 0.000 0.550 120 F N 1.857 121.819 119.950 0.021 0.000 2.590 120 F HA 0.235 4.769 4.527 0.011 0.000 0.389 120 F C 1.377 177.181 175.800 0.005 0.000 1.049 120 F CA -0.594 57.408 58.000 0.003 0.000 1.199 120 F CB 0.873 39.845 39.000 -0.047 0.000 1.058 120 F HN -0.045 nan 8.300 nan 0.000 0.556 121 K N 4.048 124.300 120.400 -0.247 0.000 2.366 121 K HA 0.095 4.422 4.320 0.011 0.000 0.198 121 K C 1.761 178.088 176.600 -0.455 0.000 1.044 121 K CA 0.807 56.934 56.287 -0.267 0.000 0.973 121 K CB 0.048 32.462 32.500 -0.143 0.000 0.767 121 K HN 0.677 nan 8.250 nan 0.000 0.475 122 A N 1.231 123.487 122.820 -0.940 0.000 2.238 122 A HA 0.044 4.370 4.320 0.011 0.000 0.208 122 A C 0.776 178.053 177.584 -0.510 0.000 1.177 122 A CA 0.116 51.698 52.037 -0.758 0.000 0.804 122 A CB -0.248 18.212 19.000 -0.899 0.000 0.823 122 A HN 0.113 nan 8.150 nan 0.000 0.482 123 V N -4.599 115.051 119.914 -0.440 0.000 2.815 123 V HA 0.535 4.661 4.120 0.011 0.000 0.314 123 V C 0.735 176.764 176.094 -0.108 0.000 1.064 123 V CA -0.918 61.281 62.300 -0.168 0.000 0.952 123 V CB 1.518 33.309 31.823 -0.054 0.000 1.020 123 V HN 0.278 nan 8.190 nan 0.000 0.439 124 R N 2.434 122.898 120.500 -0.060 0.000 2.153 124 R HA 0.413 4.760 4.340 0.011 0.000 0.218 124 R C 0.855 177.156 176.300 0.003 0.000 1.072 124 R CA 0.987 57.063 56.100 -0.040 0.000 0.990 124 R CB 0.312 30.594 30.300 -0.031 0.000 0.889 124 R HN 1.024 nan 8.270 nan 0.000 0.452 125 G N 0.016 108.853 108.800 0.062 0.000 2.703 125 G HA2 0.461 4.428 3.960 0.011 0.000 0.294 125 G HA3 0.461 4.428 3.960 0.011 0.000 0.294 125 G C -2.344 172.658 174.900 0.170 0.000 1.451 125 G CA -0.634 44.600 45.100 0.225 0.000 0.869 125 G HN -0.036 nan 8.290 nan 0.000 0.516 126 L N 0.804 122.172 121.223 0.241 0.000 2.409 126 L HA 0.834 5.181 4.340 0.011 0.000 0.272 126 L C -0.607 176.309 176.870 0.078 0.000 0.980 126 L CA -0.834 53.987 54.840 -0.031 0.000 0.826 126 L CB 1.948 43.784 42.059 -0.371 0.000 1.268 126 L HN 0.515 nan 8.230 nan 0.000 0.407 127 R N 4.370 124.950 120.500 0.134 0.000 2.476 127 R HA 0.439 4.785 4.340 0.011 0.000 0.305 127 R C -1.614 174.792 176.300 0.176 0.000 0.965 127 R CA -0.922 55.305 56.100 0.213 0.000 0.867 127 R CB 1.701 32.093 30.300 0.154 0.000 1.176 127 R HN 0.657 nan 8.270 nan 0.000 0.447 128 L N 4.910 126.262 121.223 0.214 0.000 2.325 128 L HA 0.183 4.529 4.340 0.011 0.000 0.284 128 L C 1.036 177.860 176.870 -0.075 0.000 1.089 128 L CA 0.690 55.452 54.840 -0.130 0.000 0.836 128 L CB 0.711 42.714 42.059 -0.093 0.000 1.184 128 L HN 0.582 nan 8.230 nan 0.000 0.444 129 E N 2.330 122.402 120.200 -0.214 0.000 2.166 129 E HA 0.096 4.452 4.350 0.011 0.000 0.192 129 E C -0.202 176.326 176.600 -0.121 0.000 0.967 129 E CA 0.491 56.790 56.400 -0.169 0.000 0.840 129 E CB 0.418 29.818 29.700 -0.500 0.000 0.795 129 E HN 0.677 nan 8.360 nan 0.000 0.470 130 D N -1.110 119.200 120.400 -0.150 0.000 2.663 130 D HA 0.270 4.917 4.640 0.011 0.000 0.233 130 D C -1.650 174.720 176.300 0.117 0.000 1.240 130 D CA -0.503 53.540 54.000 0.071 0.000 0.774 130 D CB 2.229 43.151 40.800 0.203 0.000 1.443 130 D HN -0.284 nan 8.370 nan 0.000 0.441 131 V N 2.456 122.422 119.914 0.086 0.000 2.623 131 V HA 0.475 4.601 4.120 0.011 0.000 0.304 131 V C -0.149 175.741 176.094 -0.339 0.000 1.054 131 V CA -0.862 61.297 62.300 -0.235 0.000 0.882 131 V CB 1.927 33.471 31.823 -0.465 0.000 1.002 131 V HN 0.438 nan 8.190 nan 0.000 0.424 132 R N 3.901 124.013 120.500 -0.646 0.000 2.205 132 R HA 0.376 4.722 4.340 0.011 0.000 0.342 132 R C -1.472 174.495 176.300 -0.554 0.000 1.058 132 R CA -0.348 55.425 56.100 -0.544 0.000 0.904 132 R CB 0.229 30.072 30.300 -0.763 0.000 1.089 132 R HN 0.493 nan 8.270 nan 0.000 0.471 133 F N 6.893 126.664 119.950 -0.300 0.000 2.404 133 F HA 0.327 4.861 4.527 0.011 0.000 0.358 133 F C -1.320 174.353 175.800 -0.212 0.000 1.120 133 F CA -1.995 55.844 58.000 -0.268 0.000 1.144 133 F CB 1.089 39.929 39.000 -0.268 0.000 1.133 133 F HN 0.355 nan 8.300 nan 0.000 0.495 134 P HA -0.020 nan 4.420 nan 0.000 0.272 134 P C 0.866 178.204 177.300 0.064 0.000 1.223 134 P CA -0.324 62.788 63.100 0.020 0.000 0.784 134 P CB 1.292 33.016 31.700 0.040 0.000 0.923 135 L N 3.224 124.469 121.223 0.035 0.000 2.081 135 L HA -0.226 4.120 4.340 0.011 0.000 0.212 135 L C 2.417 179.326 176.870 0.065 0.000 1.080 135 L CA 2.557 57.423 54.840 0.044 0.000 0.754 135 L CB -1.569 40.516 42.059 0.043 0.000 0.893 135 L HN 0.495 nan 8.230 nan 0.000 0.433 136 A N -1.900 120.966 122.820 0.078 0.000 1.972 136 A HA -0.278 4.049 4.320 0.011 0.000 0.219 136 A C 2.232 179.873 177.584 0.094 0.000 1.169 136 A CA 1.817 53.902 52.037 0.079 0.000 0.635 136 A CB -0.992 18.061 19.000 0.088 0.000 0.810 136 A HN 0.620 nan 8.150 nan 0.000 0.446 137 Y N -0.073 120.257 120.300 0.050 0.000 2.243 137 Y HA -0.075 4.481 4.550 0.011 0.000 0.293 137 Y C 2.392 178.315 175.900 0.039 0.000 1.124 137 Y CA 1.529 59.667 58.100 0.064 0.000 1.159 137 Y CB -0.022 38.496 38.460 0.096 0.000 1.008 137 Y HN 0.070 nan 8.280 nan 0.000 0.527 138 V N 0.722 120.714 119.914 0.129 0.000 2.392 138 V HA -0.322 3.805 4.120 0.011 0.000 0.249 138 V C 2.122 178.211 176.094 -0.008 0.000 1.059 138 V CA 1.953 64.286 62.300 0.055 0.000 1.051 138 V CB -0.515 31.342 31.823 0.057 0.000 0.658 138 V HN 0.301 nan 8.190 nan 0.000 0.455 139 K N 0.525 120.915 120.400 -0.018 0.000 2.442 139 K HA -0.078 4.248 4.320 0.011 0.000 0.198 139 K C 2.074 178.625 176.600 -0.081 0.000 1.042 139 K CA 1.543 57.813 56.287 -0.029 0.000 0.958 139 K CB -0.603 31.891 32.500 -0.010 0.000 0.766 139 K HN 0.747 nan 8.250 nan 0.000 0.474 140 T N -2.526 111.923 114.554 -0.175 0.000 3.100 140 T HA 0.062 4.418 4.350 0.011 0.000 0.253 140 T C 1.065 175.646 174.700 -0.199 0.000 1.118 140 T CA -0.273 61.695 62.100 -0.220 0.000 1.058 140 T CB -0.288 68.363 68.868 -0.361 0.000 0.953 140 T HN -0.044 nan 8.240 nan 0.000 0.515 141 C N 1.664 120.863 119.300 -0.170 0.000 2.358 141 C HA 0.765 5.232 4.460 0.011 0.000 0.342 141 C C 2.277 177.226 174.990 -0.068 0.000 1.234 141 C CA -0.521 58.431 59.018 -0.110 0.000 1.969 141 C CB 0.773 28.460 27.740 -0.089 0.000 2.346 141 C HN 0.591 nan 8.230 nan 0.000 0.525 142 G N 1.333 110.097 108.800 -0.060 0.000 2.408 142 G HA2 0.368 4.334 3.960 0.011 0.000 0.217 142 G HA3 0.368 4.334 3.960 0.011 0.000 0.217 142 G C 0.951 175.811 174.900 -0.066 0.000 1.150 142 G CA 1.118 46.183 45.100 -0.058 0.000 0.776 142 G HN 1.601 nan 8.290 nan 0.000 0.542 143 G N -0.218 108.538 108.800 -0.073 0.000 2.697 143 G HA2 -0.124 3.842 3.960 0.011 0.000 0.240 143 G HA3 -0.124 3.842 3.960 0.011 0.000 0.240 143 G C -2.576 172.254 174.900 -0.117 0.000 1.346 143 G CA -0.315 44.728 45.100 -0.094 0.000 0.887 143 G HN 0.425 nan 8.290 nan 0.000 0.569 144 P HA 0.192 nan 4.420 nan 0.000 0.264 144 P C -1.680 175.534 177.300 -0.143 0.000 1.183 144 P CA -0.465 62.561 63.100 -0.124 0.000 0.763 144 P CB 0.365 31.998 31.700 -0.111 0.000 0.807 145 P HA -0.174 nan 4.420 nan 0.000 0.216 145 P C 0.532 177.396 177.300 -0.727 0.000 1.150 145 P CA 1.931 64.805 63.100 -0.377 0.000 0.837 145 P CB 0.066 31.608 31.700 -0.262 0.000 0.786 146 H N -3.649 115.419 119.070 -0.005 0.000 2.176 146 H HA 0.428 4.990 4.556 0.010 0.000 0.228 146 H C 1.002 176.337 175.328 0.011 0.000 0.879 146 H CA 0.673 56.728 56.048 0.012 0.000 1.027 146 H CB -0.128 29.657 29.762 0.038 0.000 1.356 146 H HN 0.104 nan 8.280 nan 0.000 0.425 147 G N 0.588 109.471 108.800 0.139 0.000 2.756 147 G HA2 -0.239 3.728 3.960 0.011 0.000 0.678 147 G HA3 -0.239 3.728 3.960 0.011 0.000 0.678 147 G C 0.643 175.595 174.900 0.088 0.000 1.349 147 G CA -0.099 45.036 45.100 0.059 0.000 0.847 147 G HN 0.247 nan 8.290 nan 0.000 0.548 148 I N 0.255 120.792 120.570 -0.054 0.000 2.127 148 I HA -0.249 3.928 4.170 0.011 0.000 0.241 148 I C 2.947 179.059 176.117 -0.008 0.000 1.075 148 I CA 2.451 63.633 61.300 -0.196 0.000 1.334 148 I CB -0.269 37.405 38.000 -0.544 0.000 1.040 148 I HN 0.632 nan 8.210 nan 0.000 0.405 149 Q N -0.127 119.670 119.800 -0.005 0.000 2.083 149 Q HA -0.096 4.250 4.340 0.011 0.000 0.198 149 Q C 2.268 178.329 176.000 0.100 0.000 0.969 149 Q CA 1.185 57.021 55.803 0.055 0.000 0.838 149 Q CB -0.488 28.276 28.738 0.043 0.000 0.900 149 Q HN 0.324 nan 8.270 nan 0.000 0.436 150 V N 0.954 120.930 119.914 0.103 0.000 2.343 150 V HA -0.279 3.848 4.120 0.011 0.000 0.247 150 V C 2.232 178.391 176.094 0.108 0.000 1.051 150 V CA 2.082 64.453 62.300 0.118 0.000 1.036 150 V CB -0.518 31.397 31.823 0.154 0.000 0.654 150 V HN 0.462 nan 8.190 nan 0.000 0.451 151 E N 0.246 120.539 120.200 0.155 0.000 2.085 151 E HA -0.263 4.093 4.350 0.011 0.000 0.194 151 E C 2.440 179.108 176.600 0.113 0.000 0.994 151 E CA 1.458 57.953 56.400 0.158 0.000 0.801 151 E CB -0.093 29.808 29.700 0.335 0.000 0.743 151 E HN 0.510 nan 8.360 nan 0.000 0.453 152 R N 0.278 120.849 120.500 0.118 0.000 2.096 152 R HA -0.133 4.213 4.340 0.011 0.000 0.235 152 R C 1.935 178.097 176.300 -0.230 0.000 1.127 152 R CA 1.518 57.563 56.100 -0.091 0.000 0.968 152 R CB -0.135 30.102 30.300 -0.105 0.000 0.861 152 R HN 0.277 nan 8.270 nan 0.000 0.440 153 D N 0.366 120.763 120.400 -0.006 0.000 2.117 153 D HA -0.099 4.548 4.640 0.011 0.000 0.198 153 D C 1.682 178.000 176.300 0.030 0.000 0.982 153 D CA 1.174 55.227 54.000 0.088 0.000 0.828 153 D CB 0.012 40.895 40.800 0.139 0.000 0.967 153 D HN 0.165 nan 8.370 nan 0.000 0.464 154 K N -0.186 120.216 120.400 0.004 0.000 2.097 154 K HA 0.014 4.340 4.320 0.011 0.000 0.205 154 K C 1.731 178.315 176.600 -0.026 0.000 1.050 154 K CA 0.698 56.975 56.287 -0.016 0.000 0.938 154 K CB 0.084 32.548 32.500 -0.060 0.000 0.718 154 K HN 0.080 nan 8.250 nan 0.000 0.442 155 M N 0.328 119.902 119.600 -0.043 0.000 2.502 155 M HA 0.019 4.505 4.480 0.011 0.000 0.243 155 M C 0.132 176.369 176.300 -0.106 0.000 1.130 155 M CA 0.347 55.609 55.300 -0.063 0.000 1.055 155 M CB -0.798 31.771 32.600 -0.052 0.000 1.457 155 M HN 0.102 nan 8.290 nan 0.000 0.488 156 N N 2.639 121.259 118.700 -0.135 0.000 2.727 156 N HA -0.171 4.575 4.740 0.011 0.000 0.251 156 N C -1.078 174.288 175.510 -0.240 0.000 1.040 156 N CA 0.641 53.619 53.050 -0.119 0.000 0.712 156 N CB -0.736 37.762 38.487 0.018 0.000 0.912 156 N HN 0.420 nan 8.380 nan 0.000 0.545 157 K N 1.366 121.437 120.400 -0.549 0.000 2.545 157 K HA 0.392 4.718 4.320 0.011 0.000 0.252 157 K C -1.161 175.108 176.600 -0.552 0.000 0.948 157 K CA -0.457 55.607 56.287 -0.372 0.000 0.827 157 K CB 1.201 33.570 32.500 -0.218 0.000 1.128 157 K HN 0.103 nan 8.250 nan 0.000 0.429 158 Y N -0.573 119.754 120.300 0.046 0.000 2.524 158 Y HA 0.426 4.983 4.550 0.011 0.000 0.347 158 Y C 1.018 176.944 175.900 0.043 0.000 1.005 158 Y CA -0.619 57.513 58.100 0.052 0.000 1.025 158 Y CB 2.588 41.070 38.460 0.038 0.000 1.275 158 Y HN 0.780 nan 8.280 nan 0.000 0.460 159 G N 1.605 110.535 108.800 0.217 0.000 2.157 159 G HA2 -0.195 3.771 3.960 0.011 0.000 0.239 159 G HA3 -0.195 3.771 3.960 0.011 0.000 0.239 159 G C -0.243 174.716 174.900 0.098 0.000 0.982 159 G CA 0.166 45.347 45.100 0.135 0.000 0.650 159 G HN 0.872 nan 8.290 nan 0.000 0.527 160 R N -1.603 118.957 120.500 0.101 0.000 2.712 160 R HA 0.633 4.979 4.340 0.011 0.000 0.272 160 R C -3.438 172.922 176.300 0.100 0.000 1.032 160 R CA -1.859 54.290 56.100 0.082 0.000 0.874 160 R CB 0.549 30.881 30.300 0.054 0.000 1.256 160 R HN 0.020 nan 8.270 nan 0.000 0.468 161 P HA 0.069 nan 4.420 nan 0.000 0.269 161 P C -0.500 176.834 177.300 0.056 0.000 1.215 161 P CA -0.195 62.965 63.100 0.101 0.000 0.780 161 P CB 0.454 32.200 31.700 0.076 0.000 0.898 162 L N 1.613 122.852 121.223 0.027 0.000 2.421 162 L HA 0.445 4.792 4.340 0.011 0.000 0.263 162 L C 0.273 177.163 176.870 0.033 0.000 1.122 162 L CA -0.639 54.191 54.840 -0.015 0.000 0.804 162 L CB 0.212 42.233 42.059 -0.064 0.000 1.150 162 L HN 0.183 nan 8.230 nan 0.000 0.457 163 L N 0.760 122.010 121.223 0.045 0.000 2.385 163 L HA 0.746 5.092 4.340 0.011 0.000 0.273 163 L C 0.014 176.961 176.870 0.129 0.000 0.990 163 L CA -0.330 54.571 54.840 0.103 0.000 0.821 163 L CB 1.998 44.092 42.059 0.058 0.000 1.279 163 L HN 0.726 nan 8.230 nan 0.000 0.412 164 G N 0.753 109.649 108.800 0.160 0.000 2.733 164 G HA2 0.640 4.607 3.960 0.011 0.000 0.288 164 G HA3 0.640 4.607 3.960 0.011 0.000 0.288 164 G C -2.055 172.896 174.900 0.085 0.000 1.373 164 G CA -0.501 44.673 45.100 0.123 0.000 0.895 164 G HN 0.668 nan 8.290 nan 0.000 0.479 165 C N -0.235 119.074 119.300 0.016 0.000 2.891 165 C HA 0.776 5.242 4.460 0.011 0.000 0.342 165 C C -0.128 174.862 174.990 -0.000 0.000 1.126 165 C CA -0.323 58.715 59.018 0.033 0.000 1.322 165 C CB 0.770 28.535 27.740 0.041 0.000 1.763 165 C HN 0.808 nan 8.230 nan 0.000 0.491 166 T N 6.503 121.081 114.554 0.041 0.000 2.806 166 T HA 0.451 4.807 4.350 0.011 0.000 0.290 166 T C 0.218 174.954 174.700 0.060 0.000 0.966 166 T CA -0.227 61.912 62.100 0.065 0.000 1.060 166 T CB 0.428 69.368 68.868 0.120 0.000 0.927 166 T HN 0.543 nan 8.240 nan 0.000 0.485 167 I N 3.823 124.426 120.570 0.054 0.000 2.529 167 I HA 0.317 4.494 4.170 0.011 0.000 0.284 167 I C 0.682 176.850 176.117 0.086 0.000 1.082 167 I CA 0.051 61.341 61.300 -0.016 0.000 1.406 167 I CB 0.246 38.064 38.000 -0.304 0.000 1.405 167 I HN 0.506 nan 8.210 nan 0.000 0.548 168 K N 6.151 126.591 120.400 0.065 0.000 2.443 168 K HA 0.546 4.872 4.320 0.011 0.000 0.251 168 K C -2.400 174.245 176.600 0.075 0.000 0.972 168 K CA -1.471 54.871 56.287 0.092 0.000 0.833 168 K CB 2.272 34.822 32.500 0.083 0.000 1.317 168 K HN 0.378 nan 8.250 nan 0.000 0.441 169 P HA 0.118 nan 4.420 nan 0.000 0.272 169 P C -0.399 176.964 177.300 0.104 0.000 1.240 169 P CA -0.223 62.916 63.100 0.065 0.000 0.791 169 P CB 0.734 32.446 31.700 0.021 0.000 0.978 170 K N 0.039 120.493 120.400 0.090 0.000 2.365 170 K HA 0.084 4.410 4.320 0.011 0.000 0.199 170 K C 0.567 177.219 176.600 0.086 0.000 1.045 170 K CA 0.715 57.077 56.287 0.124 0.000 0.962 170 K CB -0.202 32.355 32.500 0.095 0.000 0.759 170 K HN 0.366 nan 8.250 nan 0.000 0.469 171 L N -0.915 120.277 121.223 -0.052 0.000 2.370 171 L HA 0.449 4.796 4.340 0.011 0.000 0.266 171 L C 0.759 177.311 176.870 -0.530 0.000 1.002 171 L CA -0.586 54.044 54.840 -0.350 0.000 0.818 171 L CB 2.161 44.050 42.059 -0.282 0.000 1.325 171 L HN 0.254 nan 8.230 nan 0.000 0.418 172 G N 1.779 109.860 108.800 -1.198 0.000 2.194 172 G HA2 -0.205 3.761 3.960 0.011 0.000 0.236 172 G HA3 -0.205 3.761 3.960 0.011 0.000 0.236 172 G C -0.200 174.534 174.900 -0.276 0.000 0.987 172 G CA -0.465 44.198 45.100 -0.729 0.000 0.635 172 G HN 0.345 nan 8.290 nan 0.000 0.520 173 L N 2.487 123.655 121.223 -0.091 0.000 2.312 173 L HA 0.555 4.902 4.340 0.011 0.000 0.281 173 L C 1.499 178.487 176.870 0.196 0.000 1.070 173 L CA -0.179 54.722 54.840 0.100 0.000 0.805 173 L CB 1.500 43.689 42.059 0.217 0.000 1.174 173 L HN 0.434 nan 8.230 nan 0.000 0.434 174 S N 2.071 117.843 115.700 0.120 0.000 2.580 174 S HA 0.150 4.626 4.470 0.011 0.000 0.266 174 S C 1.268 175.900 174.600 0.054 0.000 1.354 174 S CA -0.077 58.169 58.200 0.077 0.000 1.008 174 S CB 1.228 64.419 63.200 -0.014 0.000 0.898 174 S HN 0.720 nan 8.310 nan 0.000 0.555 175 A N 1.617 124.431 122.820 -0.009 0.000 1.892 175 A HA -0.166 4.160 4.320 0.011 0.000 0.218 175 A C 2.207 179.692 177.584 -0.164 0.000 1.188 175 A CA 2.035 54.073 52.037 0.001 0.000 0.631 175 A CB -1.011 18.045 19.000 0.094 0.000 0.822 175 A HN 0.967 nan 8.150 nan 0.000 0.447 176 K N -0.749 119.297 120.400 -0.591 0.000 2.057 176 K HA -0.152 4.175 4.320 0.011 0.000 0.206 176 K C 1.728 178.179 176.600 -0.249 0.000 1.050 176 K CA 1.440 57.232 56.287 -0.825 0.000 0.935 176 K CB -0.172 31.710 32.500 -1.031 0.000 0.715 176 K HN 0.419 nan 8.250 nan 0.000 0.439 177 N N 0.013 118.645 118.700 -0.114 0.000 2.188 177 N HA -0.179 4.567 4.740 0.011 0.000 0.184 177 N C 1.554 177.108 175.510 0.073 0.000 1.018 177 N CA 1.012 54.059 53.050 -0.005 0.000 0.858 177 N CB -0.404 38.093 38.487 0.016 0.000 0.989 177 N HN 0.266 nan 8.380 nan 0.000 0.426 178 Y N 1.421 121.712 120.300 -0.015 0.000 2.128 178 Y HA -0.125 4.431 4.550 0.011 0.000 0.284 178 Y C 2.373 178.282 175.900 0.016 0.000 1.154 178 Y CA 1.908 60.023 58.100 0.025 0.000 1.149 178 Y CB -0.665 37.830 38.460 0.058 0.000 0.976 178 Y HN 0.053 nan 8.280 nan 0.000 0.505 179 G N -0.248 108.654 108.800 0.170 0.000 2.442 179 G HA2 -0.352 3.614 3.960 0.011 0.000 0.219 179 G HA3 -0.352 3.614 3.960 0.011 0.000 0.219 179 G C 1.655 176.606 174.900 0.086 0.000 1.141 179 G CA 1.071 46.243 45.100 0.120 0.000 0.763 179 G HN 0.358 nan 8.290 nan 0.000 0.554 180 R N 1.337 121.878 120.500 0.068 0.000 2.073 180 R HA 0.117 4.463 4.340 0.011 0.000 0.234 180 R C 2.665 179.017 176.300 0.086 0.000 1.134 180 R CA 2.009 58.173 56.100 0.108 0.000 0.952 180 R CB -1.034 29.306 30.300 0.067 0.000 0.850 180 R HN 0.209 nan 8.270 nan 0.000 0.433 181 A N 0.077 122.891 122.820 -0.010 0.000 1.902 181 A HA -0.085 4.241 4.320 0.011 0.000 0.217 181 A C 2.392 179.924 177.584 -0.087 0.000 1.181 181 A CA 1.781 53.779 52.037 -0.064 0.000 0.623 181 A CB -0.757 18.163 19.000 -0.133 0.000 0.818 181 A HN 0.205 nan 8.150 nan 0.000 0.443 182 V N -1.270 118.571 119.914 -0.122 0.000 2.295 182 V HA -0.275 3.852 4.120 0.011 0.000 0.246 182 V C 2.371 178.464 176.094 -0.001 0.000 1.049 182 V CA 2.154 64.396 62.300 -0.097 0.000 1.024 182 V CB -1.006 30.713 31.823 -0.174 0.000 0.648 182 V HN 0.741 nan 8.190 nan 0.000 0.447 183 Y N 1.444 121.713 120.300 -0.051 0.000 2.128 183 Y HA -0.225 4.332 4.550 0.011 0.000 0.284 183 Y C 2.554 178.441 175.900 -0.022 0.000 1.154 183 Y CA 1.967 60.054 58.100 -0.023 0.000 1.149 183 Y CB -0.299 38.159 38.460 -0.003 0.000 0.976 183 Y HN 0.281 nan 8.280 nan 0.000 0.505 184 E N -0.591 119.428 120.200 -0.300 0.000 2.106 184 E HA -0.187 4.170 4.350 0.011 0.000 0.192 184 E C 2.496 178.946 176.600 -0.250 0.000 0.984 184 E CA 1.312 57.495 56.400 -0.363 0.000 0.806 184 E CB -0.890 28.727 29.700 -0.138 0.000 0.750 184 E HN 0.541 nan 8.360 nan 0.000 0.458 185 C N 0.779 119.988 119.300 -0.151 0.000 2.432 185 C HA -0.072 4.394 4.460 0.011 0.000 0.277 185 C C 2.878 177.796 174.990 -0.121 0.000 1.249 185 C CA 0.384 59.339 59.018 -0.105 0.000 1.725 185 C CB -1.134 26.569 27.740 -0.061 0.000 2.028 185 C HN 0.358 nan 8.230 nan 0.000 0.477 186 L N 1.161 122.310 121.223 -0.123 0.000 2.046 186 L HA -0.157 4.189 4.340 0.011 0.000 0.208 186 L C 2.915 179.701 176.870 -0.140 0.000 1.077 186 L CA 1.833 56.610 54.840 -0.105 0.000 0.747 186 L CB -0.746 41.283 42.059 -0.050 0.000 0.896 186 L HN 0.477 nan 8.230 nan 0.000 0.432 187 R N 0.461 120.820 120.500 -0.235 0.000 2.189 187 R HA -0.072 4.275 4.340 0.011 0.000 0.223 187 R C 1.919 178.120 176.300 -0.165 0.000 1.092 187 R CA 1.322 57.287 56.100 -0.225 0.000 0.989 187 R CB -0.678 29.376 30.300 -0.410 0.000 0.876 187 R HN 0.258 nan 8.270 nan 0.000 0.457 188 G N -0.607 108.095 108.800 -0.162 0.000 2.712 188 G HA2 0.220 4.186 3.960 0.011 0.000 0.212 188 G HA3 0.220 4.186 3.960 0.011 0.000 0.212 188 G C 0.921 175.762 174.900 -0.098 0.000 1.142 188 G CA 0.326 45.353 45.100 -0.121 0.000 0.789 188 G HN 0.596 nan 8.290 nan 0.000 0.535 189 G N -0.798 107.943 108.800 -0.098 0.000 2.273 189 G HA2 -0.160 3.806 3.960 0.011 0.000 0.162 189 G HA3 -0.160 3.806 3.960 0.011 0.000 0.162 189 G C 0.280 175.124 174.900 -0.093 0.000 1.006 189 G CA -0.359 44.687 45.100 -0.089 0.000 0.704 189 G HN 0.310 nan 8.290 nan 0.000 0.487 190 L N 1.393 122.562 121.223 -0.091 0.000 2.426 190 L HA 0.293 4.639 4.340 0.011 0.000 0.271 190 L C 1.089 177.873 176.870 -0.142 0.000 1.169 190 L CA -0.456 54.334 54.840 -0.083 0.000 0.836 190 L CB 0.501 42.532 42.059 -0.047 0.000 1.112 190 L HN 0.027 nan 8.230 nan 0.000 0.465 191 D N 1.586 121.860 120.400 -0.210 0.000 2.162 191 D HA 0.017 4.663 4.640 0.011 0.000 0.203 191 D C -0.069 175.873 176.300 -0.597 0.000 0.967 191 D CA 1.582 55.300 54.000 -0.470 0.000 0.840 191 D CB 0.253 40.656 40.800 -0.662 0.000 0.972 191 D HN 0.169 nan 8.370 nan 0.000 0.482 192 F N -0.131 119.762 119.950 -0.095 0.000 2.599 192 F HA 0.283 4.816 4.527 0.010 0.000 0.311 192 F C 0.532 176.164 175.800 -0.282 0.000 1.076 192 F CA -1.056 56.819 58.000 -0.210 0.000 0.937 192 F CB 1.815 40.640 39.000 -0.291 0.000 1.282 192 F HN -0.352 nan 8.300 nan 0.000 0.460 193 T N -1.145 113.342 114.554 -0.111 0.000 2.927 193 T HA 0.723 5.080 4.350 0.011 0.000 0.286 193 T C -1.118 173.176 174.700 -0.676 0.000 1.040 193 T CA -0.994 61.010 62.100 -0.161 0.000 1.010 193 T CB 2.468 71.419 68.868 0.138 0.000 1.177 193 T HN 0.691 nan 8.240 nan 0.000 0.546 194 K N 0.219 120.341 120.400 -0.464 0.000 2.501 194 K HA 0.409 4.736 4.320 0.011 0.000 0.252 194 K C -1.628 174.927 176.600 -0.075 0.000 0.934 194 K CA -0.664 55.301 56.287 -0.538 0.000 0.797 194 K CB 1.750 34.120 32.500 -0.218 0.000 1.270 194 K HN 0.537 nan 8.250 nan 0.000 0.431 195 D N 2.422 122.812 120.400 -0.017 0.000 2.389 195 D HA 0.042 4.688 4.640 0.011 0.000 0.247 195 D C -0.449 175.962 176.300 0.184 0.000 1.128 195 D CA 0.237 54.405 54.000 0.280 0.000 0.884 195 D CB 1.216 42.165 40.800 0.248 0.000 1.194 195 D HN 0.541 nan 8.370 nan 0.000 0.441 196 D N 0.302 120.824 120.400 0.203 0.000 2.378 196 D HA -0.078 4.568 4.640 0.011 0.000 0.238 196 D C 1.595 177.884 176.300 -0.018 0.000 1.180 196 D CA 0.008 54.068 54.000 0.100 0.000 0.895 196 D CB 0.781 41.654 40.800 0.121 0.000 1.192 196 D HN 0.399 nan 8.370 nan 0.000 0.438 197 E N 1.685 121.760 120.200 -0.208 0.000 2.153 197 E HA -0.312 4.044 4.350 0.011 0.000 0.194 197 E C 1.099 177.605 176.600 -0.156 0.000 0.988 197 E CA 1.534 57.717 56.400 -0.362 0.000 0.811 197 E CB -0.618 28.600 29.700 -0.804 0.000 0.746 197 E HN 0.709 nan 8.360 nan 0.000 0.466 198 N N 0.415 119.072 118.700 -0.071 0.000 2.457 198 N HA -0.033 4.713 4.740 0.011 0.000 0.180 198 N C 0.537 176.062 175.510 0.026 0.000 1.050 198 N CA 0.192 53.234 53.050 -0.013 0.000 0.906 198 N CB 0.071 38.575 38.487 0.028 0.000 0.968 198 N HN 0.022 nan 8.380 nan 0.000 0.445 199 I N 1.990 122.587 120.570 0.046 0.000 2.347 199 I HA 0.113 4.290 4.170 0.011 0.000 0.294 199 I C 0.028 176.172 176.117 0.044 0.000 1.090 199 I CA 0.263 61.601 61.300 0.063 0.000 1.314 199 I CB 0.059 38.112 38.000 0.089 0.000 1.423 199 I HN 0.347 nan 8.210 nan 0.000 0.503 200 N N 3.384 122.092 118.700 0.014 0.000 3.420 200 N HA 0.116 4.862 4.740 0.011 0.000 0.211 200 N C -0.196 175.333 175.510 0.031 0.000 1.201 200 N CA -0.262 52.796 53.050 0.013 0.000 1.134 200 N CB 0.559 39.026 38.487 -0.034 0.000 1.366 200 N HN 0.410 nan 8.380 nan 0.000 0.606 201 S N 0.551 116.242 115.700 -0.015 0.000 2.737 201 S HA 0.392 4.869 4.470 0.011 0.000 0.269 201 S C -1.749 172.771 174.600 -0.134 0.000 1.150 201 S CA -0.428 57.774 58.200 0.003 0.000 1.077 201 S CB 1.012 64.322 63.200 0.184 0.000 1.075 201 S HN 0.198 nan 8.310 nan 0.000 0.476 202 Q N 3.592 123.195 119.800 -0.328 0.000 2.416 202 Q HA 0.524 4.870 4.340 0.011 0.000 0.279 202 Q C -1.919 173.786 176.000 -0.493 0.000 1.101 202 Q CA -2.095 53.413 55.803 -0.491 0.000 0.830 202 Q CB 1.518 29.690 28.738 -0.944 0.000 1.402 202 Q HN 0.269 nan 8.270 nan 0.000 0.445 203 P HA -0.179 nan 4.420 nan 0.000 0.217 203 P C 0.408 177.629 177.300 -0.131 0.000 1.148 203 P CA 1.330 64.338 63.100 -0.153 0.000 0.828 203 P CB 0.058 31.743 31.700 -0.025 0.000 0.783 204 F N -3.050 116.892 119.950 -0.012 0.000 2.710 204 F HA 0.326 4.860 4.527 0.012 0.000 0.298 204 F C 0.980 176.765 175.800 -0.025 0.000 1.137 204 F CA 0.066 58.057 58.000 -0.016 0.000 1.444 204 F CB -0.506 38.490 39.000 -0.008 0.000 1.111 204 F HN -0.205 nan 8.300 nan 0.000 0.580 205 M N 1.702 121.066 119.600 -0.393 0.000 2.400 205 M HA 0.295 4.781 4.480 0.011 0.000 0.192 205 M C -1.262 174.893 176.300 -0.241 0.000 0.977 205 M CA -0.420 54.757 55.300 -0.205 0.000 0.965 205 M CB 0.719 33.267 32.600 -0.086 0.000 2.816 205 M HN -0.174 nan 8.290 nan 0.000 0.413 206 R N 2.848 123.246 120.500 -0.170 0.000 2.582 206 R HA 0.207 4.553 4.340 0.011 0.000 0.271 206 R C 1.130 177.333 176.300 -0.162 0.000 1.078 206 R CA -0.081 55.913 56.100 -0.177 0.000 1.127 206 R CB 0.446 30.613 30.300 -0.221 0.000 1.038 206 R HN 0.886 nan 8.270 nan 0.000 0.500 207 W N 3.725 124.913 121.300 -0.188 0.000 2.388 207 W HA -0.104 4.560 4.660 0.007 0.000 0.294 207 W C 1.209 177.552 176.519 -0.293 0.000 1.212 207 W CA 0.460 57.671 57.345 -0.224 0.000 1.271 207 W CB -0.463 28.783 29.460 -0.357 0.000 1.126 207 W HN 0.566 nan 8.180 nan 0.000 0.535 208 R N 1.105 120.761 120.500 -1.408 0.000 2.092 208 R HA -0.140 4.207 4.340 0.011 0.000 0.231 208 R C 1.912 177.996 176.300 -0.360 0.000 1.119 208 R CA 2.150 57.480 56.100 -1.283 0.000 0.970 208 R CB -0.335 29.024 30.300 -1.569 0.000 0.864 208 R HN 0.001 nan 8.270 nan 0.000 0.440 209 D N -0.174 120.088 120.400 -0.230 0.000 2.117 209 D HA -0.196 4.450 4.640 0.011 0.000 0.198 209 D C 1.852 178.324 176.300 0.288 0.000 0.982 209 D CA 0.999 55.044 54.000 0.075 0.000 0.828 209 D CB -0.248 40.607 40.800 0.092 0.000 0.967 209 D HN 0.245 nan 8.370 nan 0.000 0.464 210 R N -0.086 120.555 120.500 0.236 0.000 2.083 210 R HA -0.168 4.178 4.340 0.011 0.000 0.237 210 R C 2.278 178.871 176.300 0.488 0.000 1.137 210 R CA 1.208 57.507 56.100 0.331 0.000 0.951 210 R CB -0.310 30.153 30.300 0.271 0.000 0.851 210 R HN 0.029 nan 8.270 nan 0.000 0.434 211 F N 0.832 120.941 119.950 0.265 0.000 2.134 211 F HA -0.124 4.409 4.527 0.010 0.000 0.299 211 F C 2.140 178.079 175.800 0.231 0.000 1.097 211 F CA 0.982 59.178 58.000 0.325 0.000 1.264 211 F CB -0.602 38.726 39.000 0.548 0.000 1.001 211 F HN 0.039 nan 8.300 nan 0.000 0.479 212 L N -1.966 119.489 121.223 0.388 0.000 2.027 212 L HA -0.210 4.136 4.340 0.011 0.000 0.206 212 L C 2.400 179.263 176.870 -0.011 0.000 1.074 212 L CA 1.184 56.098 54.840 0.123 0.000 0.745 212 L CB -0.676 41.369 42.059 -0.022 0.000 0.898 212 L HN 0.007 nan 8.230 nan 0.000 0.433 213 F N -1.047 118.980 119.950 0.127 0.000 2.206 213 F HA -0.158 4.376 4.527 0.011 0.000 0.298 213 F C 2.345 178.188 175.800 0.071 0.000 1.090 213 F CA 0.951 59.002 58.000 0.085 0.000 1.323 213 F CB -0.635 38.417 39.000 0.087 0.000 1.028 213 F HN -0.235 nan 8.300 nan 0.000 0.492 214 V N -0.355 119.707 119.914 0.247 0.000 2.343 214 V HA -0.311 3.815 4.120 0.011 0.000 0.247 214 V C 2.376 178.511 176.094 0.068 0.000 1.051 214 V CA 2.026 64.379 62.300 0.090 0.000 1.036 214 V CB -0.602 31.206 31.823 -0.025 0.000 0.654 214 V HN 0.265 nan 8.190 nan 0.000 0.451 215 Q N 0.134 119.981 119.800 0.079 0.000 2.119 215 Q HA -0.212 4.134 4.340 0.011 0.000 0.201 215 Q C 1.938 177.955 176.000 0.028 0.000 0.972 215 Q CA 1.977 57.807 55.803 0.045 0.000 0.847 215 Q CB -0.529 28.224 28.738 0.026 0.000 0.903 215 Q HN 0.660 nan 8.270 nan 0.000 0.433 216 D N -0.653 119.758 120.400 0.019 0.000 2.097 216 D HA -0.137 4.510 4.640 0.011 0.000 0.195 216 D C 1.605 177.917 176.300 0.019 0.000 0.989 216 D CA 1.505 55.504 54.000 -0.002 0.000 0.827 216 D CB -0.162 40.622 40.800 -0.027 0.000 0.966 216 D HN 0.326 nan 8.370 nan 0.000 0.456 217 A N -0.135 122.724 122.820 0.065 0.000 1.908 217 A HA -0.182 4.144 4.320 0.011 0.000 0.218 217 A C 2.435 180.107 177.584 0.147 0.000 1.181 217 A CA 2.508 54.612 52.037 0.112 0.000 0.627 217 A CB -1.040 18.048 19.000 0.147 0.000 0.818 217 A HN 0.341 nan 8.150 nan 0.000 0.445 218 T N -0.126 114.483 114.554 0.093 0.000 2.708 218 T HA -0.131 4.225 4.350 0.011 0.000 0.266 218 T C 1.787 176.529 174.700 0.069 0.000 1.037 218 T CA 1.687 63.836 62.100 0.082 0.000 1.146 218 T CB -0.278 68.633 68.868 0.072 0.000 0.865 218 T HN 0.670 nan 8.240 nan 0.000 0.435 219 E N 0.466 120.695 120.200 0.048 0.000 2.110 219 E HA -0.097 4.260 4.350 0.011 0.000 0.193 219 E C 2.435 179.058 176.600 0.040 0.000 0.988 219 E CA 1.361 57.779 56.400 0.030 0.000 0.804 219 E CB -0.183 29.523 29.700 0.009 0.000 0.745 219 E HN 0.390 nan 8.360 nan 0.000 0.458 220 T N 0.766 115.348 114.554 0.046 0.000 2.737 220 T HA -0.125 4.231 4.350 0.011 0.000 0.265 220 T C 2.019 176.828 174.700 0.180 0.000 1.038 220 T CA 1.199 63.328 62.100 0.049 0.000 1.144 220 T CB -0.205 68.599 68.868 -0.108 0.000 0.866 220 T HN 0.240 nan 8.240 nan 0.000 0.434 221 A N 1.283 124.261 122.820 0.263 0.000 1.930 221 A HA -0.100 4.226 4.320 0.011 0.000 0.217 221 A C 2.192 179.821 177.584 0.074 0.000 1.175 221 A CA 1.849 54.002 52.037 0.193 0.000 0.627 221 A CB -0.585 18.485 19.000 0.116 0.000 0.815 221 A HN 0.614 nan 8.150 nan 0.000 0.443 222 E N -0.043 120.189 120.200 0.054 0.000 2.077 222 E HA -0.114 4.242 4.350 0.011 0.000 0.193 222 E C 2.075 178.687 176.600 0.020 0.000 0.989 222 E CA 1.077 57.488 56.400 0.018 0.000 0.800 222 E CB -0.268 29.439 29.700 0.011 0.000 0.746 222 E HN 0.527 nan 8.360 nan 0.000 0.452 223 A N 0.550 123.390 122.820 0.033 0.000 1.933 223 A HA -0.202 4.124 4.320 0.011 0.000 0.218 223 A C 1.982 179.584 177.584 0.030 0.000 1.175 223 A CA 1.526 53.578 52.037 0.027 0.000 0.628 223 A CB -0.363 18.652 19.000 0.026 0.000 0.814 223 A HN 0.338 nan 8.150 nan 0.000 0.444 224 Q N -0.999 118.831 119.800 0.050 0.000 2.425 224 Q HA -0.012 4.334 4.340 0.011 0.000 0.204 224 Q C 1.655 177.667 176.000 0.019 0.000 0.933 224 Q CA 1.267 57.098 55.803 0.047 0.000 0.939 224 Q CB 0.150 28.943 28.738 0.091 0.000 1.044 224 Q HN 0.867 nan 8.270 nan 0.000 0.513 225 T N -5.627 108.930 114.554 0.006 0.000 2.955 225 T HA 0.262 4.618 4.350 0.011 0.000 0.251 225 T C 1.435 176.126 174.700 -0.014 0.000 1.002 225 T CA 0.397 62.489 62.100 -0.014 0.000 0.970 225 T CB 0.625 69.474 68.868 -0.032 0.000 1.091 225 T HN 0.250 nan 8.240 nan 0.000 0.495 226 G N 1.537 110.332 108.800 -0.009 0.000 2.179 226 G HA2 -0.221 3.746 3.960 0.011 0.000 0.257 226 G HA3 -0.221 3.746 3.960 0.011 0.000 0.257 226 G C -0.313 174.575 174.900 -0.019 0.000 1.010 226 G CA 0.356 45.450 45.100 -0.010 0.000 0.736 226 G HN 0.688 nan 8.290 nan 0.000 0.513 227 E N -0.255 119.926 120.200 -0.032 0.000 2.238 227 E HA 0.470 4.826 4.350 0.011 0.000 0.267 227 E C 0.172 176.734 176.600 -0.063 0.000 0.887 227 E CA -1.218 55.152 56.400 -0.051 0.000 0.769 227 E CB 1.219 30.877 29.700 -0.069 0.000 1.187 227 E HN 0.071 nan 8.360 nan 0.000 0.416 228 R N 2.235 122.689 120.500 -0.077 0.000 2.537 228 R HA 0.226 4.572 4.340 0.011 0.000 0.280 228 R C -0.071 176.145 176.300 -0.140 0.000 1.058 228 R CA 0.131 56.181 56.100 -0.083 0.000 1.057 228 R CB 0.227 30.480 30.300 -0.078 0.000 0.973 228 R HN 0.341 nan 8.270 nan 0.000 0.438 229 K N 0.430 120.770 120.400 -0.101 0.000 2.395 229 K HA 0.702 5.029 4.320 0.011 0.000 0.247 229 K C 0.048 176.633 176.600 -0.025 0.000 0.973 229 K CA -0.863 55.350 56.287 -0.122 0.000 0.828 229 K CB 2.705 35.173 32.500 -0.053 0.000 1.272 229 K HN 0.781 nan 8.250 nan 0.000 0.439 230 G N -0.228 108.604 108.800 0.053 0.000 2.684 230 G HA2 0.469 4.435 3.960 0.011 0.000 0.290 230 G HA3 0.469 4.435 3.960 0.011 0.000 0.290 230 G C -1.993 173.085 174.900 0.297 0.000 1.425 230 G CA -0.398 44.865 45.100 0.272 0.000 0.822 230 G HN 0.605 nan 8.290 nan 0.000 0.482 231 H N -0.657 118.474 119.070 0.100 0.000 2.934 231 H HA 0.526 5.088 4.556 0.010 0.000 0.340 231 H C -1.265 174.040 175.328 -0.039 0.000 1.008 231 H CA -0.798 55.217 56.048 -0.054 0.000 1.317 231 H CB 0.859 30.610 29.762 -0.018 0.000 1.670 231 H HN 0.393 nan 8.280 nan 0.000 0.516 232 Y N 5.613 125.565 120.300 -0.580 0.000 2.680 232 Y HA 0.149 4.705 4.550 0.010 0.000 0.356 232 Y C 0.071 175.766 175.900 -0.343 0.000 1.122 232 Y CA -0.688 57.156 58.100 -0.427 0.000 1.509 232 Y CB -0.643 37.526 38.460 -0.484 0.000 1.245 232 Y HN 0.433 nan 8.280 nan 0.000 0.513 233 L N 4.118 125.308 121.223 -0.055 0.000 2.315 233 L HA 0.169 4.516 4.340 0.011 0.000 0.283 233 L C 0.554 177.430 176.870 0.010 0.000 1.089 233 L CA -0.295 54.481 54.840 -0.106 0.000 0.833 233 L CB 0.297 41.992 42.059 -0.607 0.000 1.170 233 L HN 0.531 nan 8.230 nan 0.000 0.442 234 N N 2.643 121.422 118.700 0.133 0.000 2.431 234 N HA 0.054 4.801 4.740 0.011 0.000 0.265 234 N C 0.491 176.135 175.510 0.223 0.000 1.184 234 N CA -0.162 52.981 53.050 0.156 0.000 0.943 234 N CB 1.542 40.102 38.487 0.122 0.000 1.080 234 N HN 0.434 nan 8.380 nan 0.000 0.477 235 V N 0.563 120.573 119.914 0.160 0.000 3.621 235 V HA 0.256 4.382 4.120 0.011 0.000 0.285 235 V C 0.576 176.680 176.094 0.017 0.000 1.346 235 V CA -0.306 62.044 62.300 0.082 0.000 1.104 235 V CB -0.852 30.989 31.823 0.029 0.000 0.913 235 V HN 0.443 nan 8.190 nan 0.000 0.432 236 T N 3.198 117.780 114.554 0.047 0.000 2.866 236 T HA 0.526 4.882 4.350 0.011 0.000 0.293 236 T C 0.182 174.839 174.700 -0.072 0.000 1.005 236 T CA 1.174 63.261 62.100 -0.023 0.000 1.162 236 T CB 0.514 69.298 68.868 -0.140 0.000 0.968 236 T HN 1.085 nan 8.240 nan 0.000 0.530 237 A N 4.889 127.661 122.820 -0.080 0.000 2.602 237 A HA 0.747 5.073 4.320 0.011 0.000 0.290 237 A C -1.982 175.543 177.584 -0.098 0.000 1.114 237 A CA -1.335 50.626 52.037 -0.127 0.000 0.683 237 A CB 0.528 19.405 19.000 -0.206 0.000 1.281 237 A HN 0.525 nan 8.150 nan 0.000 0.416 238 P HA 0.051 nan 4.420 nan 0.000 0.219 238 P C 0.597 177.858 177.300 -0.066 0.000 1.150 238 P CA 1.990 65.047 63.100 -0.071 0.000 0.814 238 P CB -0.007 31.656 31.700 -0.062 0.000 0.787 239 T N -6.757 107.748 114.554 -0.082 0.000 2.883 239 T HA 0.442 4.798 4.350 0.011 0.000 0.296 239 T C -2.505 172.130 174.700 -0.108 0.000 1.117 239 T CA -2.111 59.946 62.100 -0.072 0.000 1.006 239 T CB 1.899 70.736 68.868 -0.051 0.000 1.191 239 T HN -0.345 nan 8.240 nan 0.000 0.508 240 P HA -0.001 nan 4.420 nan 0.000 0.217 240 P C 1.161 178.406 177.300 -0.092 0.000 1.150 240 P CA 0.996 64.000 63.100 -0.161 0.000 0.832 240 P CB 0.091 31.768 31.700 -0.040 0.000 0.787 241 E N -0.327 119.872 120.200 -0.002 0.000 2.058 241 E HA -0.203 4.153 4.350 0.011 0.000 0.194 241 E C 2.066 178.635 176.600 -0.053 0.000 0.997 241 E CA 1.145 57.560 56.400 0.026 0.000 0.801 241 E CB -0.634 29.073 29.700 0.012 0.000 0.746 241 E HN 0.255 nan 8.360 nan 0.000 0.450 242 E N -0.001 120.127 120.200 -0.120 0.000 2.072 242 E HA -0.165 4.191 4.350 0.011 0.000 0.191 242 E C 2.037 178.444 176.600 -0.321 0.000 0.985 242 E CA 0.787 57.058 56.400 -0.215 0.000 0.801 242 E CB -0.266 29.308 29.700 -0.211 0.000 0.750 242 E HN 0.342 nan 8.360 nan 0.000 0.452 243 M N -0.415 119.002 119.600 -0.305 0.000 2.086 243 M HA -0.218 4.269 4.480 0.011 0.000 0.261 243 M C 1.951 178.003 176.300 -0.413 0.000 1.067 243 M CA 1.646 56.721 55.300 -0.375 0.000 1.116 243 M CB -0.249 32.089 32.600 -0.436 0.000 1.348 243 M HN 0.095 nan 8.290 nan 0.000 0.407 244 Y N 0.119 120.226 120.300 -0.322 0.000 2.242 244 Y HA -0.232 4.329 4.550 0.018 0.000 0.291 244 Y C 2.597 178.278 175.900 -0.366 0.000 1.137 244 Y CA 1.457 59.297 58.100 -0.433 0.000 1.181 244 Y CB -0.317 37.945 38.460 -0.329 0.000 0.989 244 Y HN 0.301 nan 8.280 nan 0.000 0.527 245 K N 1.007 121.337 120.400 -0.116 0.000 2.057 245 K HA -0.214 4.112 4.320 0.011 0.000 0.207 245 K C 2.010 178.500 176.600 -0.184 0.000 1.049 245 K CA 1.502 57.730 56.287 -0.100 0.000 0.931 245 K CB -0.091 32.351 32.500 -0.097 0.000 0.714 245 K HN 0.267 nan 8.250 nan 0.000 0.440 246 R N -0.043 120.161 120.500 -0.493 0.000 2.075 246 R HA -0.058 4.288 4.340 0.011 0.000 0.232 246 R C 2.465 178.776 176.300 0.018 0.000 1.126 246 R CA 1.157 56.883 56.100 -0.624 0.000 0.963 246 R CB -0.361 29.402 30.300 -0.896 0.000 0.858 246 R HN 0.248 nan 8.270 nan 0.000 0.435 247 A N 1.530 124.254 122.820 -0.161 0.000 1.908 247 A HA -0.189 4.138 4.320 0.011 0.000 0.218 247 A C 1.929 179.468 177.584 -0.076 0.000 1.181 247 A CA 1.368 53.251 52.037 -0.256 0.000 0.627 247 A CB -0.299 18.184 19.000 -0.861 0.000 0.818 247 A HN 0.199 nan 8.150 nan 0.000 0.445 248 E N -1.197 118.967 120.200 -0.060 0.000 2.110 248 E HA -0.187 4.169 4.350 0.011 0.000 0.193 248 E C 1.754 178.575 176.600 0.368 0.000 0.988 248 E CA 1.157 57.727 56.400 0.283 0.000 0.804 248 E CB -0.374 29.470 29.700 0.240 0.000 0.745 248 E HN 0.698 nan 8.360 nan 0.000 0.458 249 F N 1.442 121.547 119.950 0.258 0.000 2.206 249 F HA -0.039 4.492 4.527 0.007 0.000 0.298 249 F C 2.268 178.311 175.800 0.405 0.000 1.090 249 F CA 1.013 59.218 58.000 0.343 0.000 1.323 249 F CB -0.332 38.951 39.000 0.472 0.000 1.028 249 F HN -0.056 nan 8.300 nan 0.000 0.492 250 A N 0.320 123.416 122.820 0.459 0.000 1.883 250 A HA -0.264 4.062 4.320 0.011 0.000 0.217 250 A C 2.364 180.036 177.584 0.147 0.000 1.186 250 A CA 2.000 54.203 52.037 0.277 0.000 0.624 250 A CB -0.900 18.256 19.000 0.260 0.000 0.822 250 A HN 0.429 nan 8.150 nan 0.000 0.444 251 K N -0.307 120.246 120.400 0.255 0.000 2.026 251 K HA -0.225 4.101 4.320 0.011 0.000 0.208 251 K C 2.127 178.779 176.600 0.087 0.000 1.048 251 K CA 1.724 58.136 56.287 0.209 0.000 0.929 251 K CB -0.216 32.485 32.500 0.335 0.000 0.713 251 K HN 0.651 nan 8.250 nan 0.000 0.439 252 E N 1.007 121.242 120.200 0.058 0.000 2.097 252 E HA -0.207 4.150 4.350 0.011 0.000 0.196 252 E C 1.897 178.428 176.600 -0.114 0.000 1.000 252 E CA 1.741 58.130 56.400 -0.019 0.000 0.804 252 E CB -0.243 29.459 29.700 0.003 0.000 0.740 252 E HN 0.607 nan 8.360 nan 0.000 0.454 253 I N -3.828 116.602 120.570 -0.233 0.000 3.684 253 I HA 0.315 4.491 4.170 0.011 0.000 0.304 253 I C 1.247 177.313 176.117 -0.085 0.000 1.278 253 I CA 0.752 61.928 61.300 -0.207 0.000 1.272 253 I CB 0.312 38.106 38.000 -0.342 0.000 1.029 253 I HN 0.244 nan 8.210 nan 0.000 0.458 254 G N 1.570 110.347 108.800 -0.039 0.000 2.141 254 G HA2 -0.198 3.769 3.960 0.011 0.000 0.231 254 G HA3 -0.198 3.769 3.960 0.011 0.000 0.231 254 G C 0.393 175.303 174.900 0.015 0.000 0.984 254 G CA -0.073 45.025 45.100 -0.005 0.000 0.660 254 G HN 0.915 nan 8.290 nan 0.000 0.525 255 A N 0.809 123.643 122.820 0.023 0.000 2.492 255 A HA 0.634 4.960 4.320 0.011 0.000 0.254 255 A C 0.019 177.642 177.584 0.065 0.000 1.091 255 A CA -0.166 51.898 52.037 0.044 0.000 0.768 255 A CB 0.527 19.544 19.000 0.028 0.000 1.028 255 A HN 0.181 nan 8.150 nan 0.000 0.498 256 P HA 0.145 nan 4.420 nan 0.000 0.235 256 P C 0.079 177.425 177.300 0.076 0.000 1.177 256 P CA 0.764 63.907 63.100 0.071 0.000 0.785 256 P CB 0.233 31.983 31.700 0.083 0.000 0.885 257 I N 0.002 120.625 120.570 0.089 0.000 2.752 257 I HA 0.380 4.556 4.170 0.011 0.000 0.295 257 I C -1.090 175.058 176.117 0.051 0.000 1.219 257 I CA -1.630 59.701 61.300 0.052 0.000 1.030 257 I CB 2.391 40.401 38.000 0.016 0.000 1.259 257 I HN -0.265 nan 8.210 nan 0.000 0.423 258 I N 3.964 124.561 120.570 0.044 0.000 3.170 258 I HA 0.659 4.835 4.170 0.011 0.000 0.312 258 I C -1.339 174.802 176.117 0.041 0.000 1.085 258 I CA -0.908 60.421 61.300 0.050 0.000 0.999 258 I CB 2.202 40.259 38.000 0.095 0.000 1.233 258 I HN 0.717 nan 8.210 nan 0.000 0.467 259 M N 2.662 122.311 119.600 0.083 0.000 2.572 259 M HA 0.492 4.979 4.480 0.011 0.000 0.299 259 M C -1.902 174.498 176.300 0.167 0.000 1.205 259 M CA -0.399 54.973 55.300 0.121 0.000 0.876 259 M CB 2.228 34.922 32.600 0.157 0.000 1.728 259 M HN 0.847 nan 8.290 nan 0.000 0.458 260 H N 1.879 120.982 119.070 0.055 0.000 2.894 260 H HA 0.326 4.889 4.556 0.012 0.000 0.367 260 H C -1.738 173.654 175.328 0.106 0.000 1.144 260 H CA -0.583 55.494 56.048 0.048 0.000 1.180 260 H CB 1.933 31.706 29.762 0.019 0.000 1.758 260 H HN 0.706 nan 8.280 nan 0.000 0.541 261 D N 5.105 125.219 120.400 -0.475 0.000 2.468 261 D HA 0.020 4.667 4.640 0.011 0.000 0.218 261 D C 1.071 177.252 176.300 -0.197 0.000 1.155 261 D CA -0.144 53.739 54.000 -0.196 0.000 0.924 261 D CB -0.019 40.654 40.800 -0.212 0.000 1.029 261 D HN 0.586 nan 8.370 nan 0.000 0.515 262 Y N 0.559 120.824 120.300 -0.058 0.000 2.352 262 Y HA -0.031 4.525 4.550 0.010 0.000 0.292 262 Y C 1.496 177.500 175.900 0.172 0.000 1.136 262 Y CA 0.696 58.879 58.100 0.138 0.000 1.227 262 Y CB -0.214 38.358 38.460 0.185 0.000 0.991 262 Y HN 0.187 nan 8.280 nan 0.000 0.545 263 I N 1.105 121.480 120.570 -0.326 0.000 2.400 263 I HA -0.160 4.017 4.170 0.011 0.000 0.248 263 I C 2.566 178.525 176.117 -0.264 0.000 1.109 263 I CA 1.506 62.566 61.300 -0.401 0.000 1.425 263 I CB -0.493 37.248 38.000 -0.431 0.000 1.094 263 I HN 0.417 nan 8.210 nan 0.000 0.425 264 T N -1.496 112.950 114.554 -0.180 0.000 2.896 264 T HA 0.026 4.382 4.350 0.011 0.000 0.263 264 T C 2.012 176.634 174.700 -0.131 0.000 1.050 264 T CA 0.923 62.934 62.100 -0.149 0.000 1.140 264 T CB -0.894 67.901 68.868 -0.121 0.000 0.877 264 T HN 0.354 nan 8.240 nan 0.000 0.457 265 G N 1.449 110.164 108.800 -0.142 0.000 2.408 265 G HA2 0.402 4.368 3.960 0.011 0.000 0.217 265 G HA3 0.402 4.368 3.960 0.011 0.000 0.217 265 G C 0.894 175.813 174.900 0.032 0.000 1.150 265 G CA 0.294 45.364 45.100 -0.051 0.000 0.776 265 G HN 1.269 nan 8.290 nan 0.000 0.542 266 G N -1.891 106.934 108.800 0.041 0.000 2.570 266 G HA2 -0.005 3.962 3.960 0.011 0.000 0.686 266 G HA3 -0.005 3.962 3.960 0.011 0.000 0.686 266 G C 0.114 175.131 174.900 0.195 0.000 1.257 266 G CA -0.165 44.913 45.100 -0.036 0.000 0.846 266 G HN 0.060 nan 8.290 nan 0.000 0.627 267 F N 0.469 120.415 119.950 -0.006 0.000 2.259 267 F HA 0.056 4.588 4.527 0.010 0.000 0.298 267 F C 3.025 178.837 175.800 0.020 0.000 1.088 267 F CA 1.908 59.913 58.000 0.008 0.000 1.358 267 F CB -1.287 37.674 39.000 -0.065 0.000 1.040 267 F HN 0.527 nan 8.300 nan 0.000 0.505 268 T N 0.343 115.014 114.554 0.196 0.000 2.674 268 T HA -0.158 4.198 4.350 0.011 0.000 0.265 268 T C 2.349 177.088 174.700 0.064 0.000 1.039 268 T CA 1.572 63.742 62.100 0.117 0.000 1.150 268 T CB -0.631 68.287 68.868 0.083 0.000 0.864 268 T HN 0.246 nan 8.240 nan 0.000 0.427 269 A N 1.663 124.502 122.820 0.033 0.000 1.908 269 A HA -0.175 4.152 4.320 0.011 0.000 0.218 269 A C 2.156 179.631 177.584 -0.181 0.000 1.181 269 A CA 2.173 54.157 52.037 -0.088 0.000 0.627 269 A CB -0.960 18.005 19.000 -0.058 0.000 0.818 269 A HN 0.534 nan 8.150 nan 0.000 0.445 270 N N -0.798 117.882 118.700 -0.033 0.000 2.120 270 N HA -0.121 4.626 4.740 0.011 0.000 0.188 270 N C 1.679 177.155 175.510 -0.055 0.000 1.024 270 N CA 2.207 55.211 53.050 -0.076 0.000 0.852 270 N CB -0.303 38.315 38.487 0.219 0.000 1.003 270 N HN 0.401 nan 8.380 nan 0.000 0.424 271 T N -1.283 113.277 114.554 0.011 0.000 2.821 271 T HA -0.031 4.326 4.350 0.011 0.000 0.267 271 T C 1.753 176.477 174.700 0.040 0.000 1.046 271 T CA 1.236 63.344 62.100 0.013 0.000 1.139 271 T CB -0.840 68.048 68.868 0.034 0.000 0.871 271 T HN 0.450 nan 8.240 nan 0.000 0.454 272 G N 1.397 110.234 108.800 0.062 0.000 2.418 272 G HA2 -0.138 3.829 3.960 0.011 0.000 0.217 272 G HA3 -0.138 3.829 3.960 0.011 0.000 0.217 272 G C 1.509 176.553 174.900 0.240 0.000 1.158 272 G CA 0.653 45.861 45.100 0.179 0.000 0.771 272 G HN 0.409 nan 8.290 nan 0.000 0.545 273 L N 1.309 122.551 121.223 0.031 0.000 2.046 273 L HA 0.186 4.532 4.340 0.011 0.000 0.208 273 L C 3.055 180.027 176.870 0.169 0.000 1.077 273 L CA 2.051 56.917 54.840 0.044 0.000 0.747 273 L CB -0.633 41.256 42.059 -0.284 0.000 0.896 273 L HN 0.231 nan 8.230 nan 0.000 0.432 274 A N -0.542 122.314 122.820 0.061 0.000 1.902 274 A HA -0.269 4.058 4.320 0.011 0.000 0.217 274 A C 2.449 180.072 177.584 0.065 0.000 1.181 274 A CA 1.947 54.012 52.037 0.046 0.000 0.623 274 A CB -0.639 18.346 19.000 -0.025 0.000 0.818 274 A HN 0.508 nan 8.150 nan 0.000 0.443 275 K N -1.656 118.795 120.400 0.085 0.000 2.063 275 K HA -0.237 4.089 4.320 0.011 0.000 0.208 275 K C 1.882 178.543 176.600 0.103 0.000 1.048 275 K CA 1.773 58.100 56.287 0.066 0.000 0.928 275 K CB -0.356 32.184 32.500 0.068 0.000 0.713 275 K HN 0.645 nan 8.250 nan 0.000 0.442 276 W N 1.072 122.398 121.300 0.042 0.000 2.358 276 W HA -0.258 4.403 4.660 0.002 0.000 0.303 276 W C 1.992 178.537 176.519 0.044 0.000 1.208 276 W CA 1.481 58.858 57.345 0.052 0.000 1.274 276 W CB -0.432 29.124 29.460 0.160 0.000 1.138 276 W HN 0.140 nan 8.180 nan 0.000 0.515 277 C N -0.224 119.250 119.300 0.289 0.000 2.429 277 C HA -0.202 4.265 4.460 0.011 0.000 0.277 277 C C 2.677 177.611 174.990 -0.094 0.000 1.262 277 C CA 1.604 60.694 59.018 0.120 0.000 1.733 277 C CB -1.375 26.505 27.740 0.233 0.000 2.010 277 C HN 0.511 nan 8.230 nan 0.000 0.483 278 Q N 0.498 120.209 119.800 -0.147 0.000 2.124 278 Q HA -0.200 4.146 4.340 0.011 0.000 0.202 278 Q C 1.420 177.299 176.000 -0.202 0.000 0.977 278 Q CA 1.677 57.326 55.803 -0.257 0.000 0.850 278 Q CB -0.089 28.526 28.738 -0.204 0.000 0.901 278 Q HN 0.591 nan 8.270 nan 0.000 0.429 279 D N -0.296 119.973 120.400 -0.219 0.000 2.269 279 D HA -0.058 4.589 4.640 0.011 0.000 0.208 279 D C 0.742 176.854 176.300 -0.313 0.000 0.963 279 D CA 0.783 54.639 54.000 -0.239 0.000 0.864 279 D CB 0.028 40.681 40.800 -0.245 0.000 0.936 279 D HN 0.272 nan 8.370 nan 0.000 0.505 280 N N -0.720 117.706 118.700 -0.456 0.000 2.177 280 N HA 0.127 4.874 4.740 0.011 0.000 0.218 280 N C 0.799 176.165 175.510 -0.240 0.000 1.182 280 N CA 0.373 53.130 53.050 -0.489 0.000 0.882 280 N CB 1.870 39.700 38.487 -1.095 0.000 1.052 280 N HN 0.079 nan 8.380 nan 0.000 0.519 281 G N 1.109 109.872 108.800 -0.061 0.000 2.160 281 G HA2 -0.252 3.715 3.960 0.011 0.000 0.251 281 G HA3 -0.252 3.715 3.960 0.011 0.000 0.251 281 G C -0.094 174.836 174.900 0.049 0.000 1.008 281 G CA 0.240 45.400 45.100 0.099 0.000 0.724 281 G HN 0.167 nan 8.290 nan 0.000 0.514 282 V N 1.150 121.137 119.914 0.122 0.000 2.435 282 V HA 0.589 4.715 4.120 0.011 0.000 0.290 282 V C 1.015 177.232 176.094 0.205 0.000 1.030 282 V CA -0.878 61.499 62.300 0.128 0.000 0.881 282 V CB 1.718 33.678 31.823 0.230 0.000 0.983 282 V HN 0.326 nan 8.190 nan 0.000 0.445 283 L N 4.561 125.819 121.223 0.059 0.000 2.436 283 L HA 0.407 4.753 4.340 0.011 0.000 0.265 283 L C -0.419 176.461 176.870 0.016 0.000 1.168 283 L CA -0.296 54.571 54.840 0.045 0.000 0.815 283 L CB 0.805 42.821 42.059 -0.072 0.000 1.109 283 L HN 0.439 nan 8.230 nan 0.000 0.462 284 L N 2.277 123.481 121.223 -0.031 0.000 2.377 284 L HA 0.350 4.696 4.340 0.011 0.000 0.270 284 L C -0.678 176.059 176.870 -0.222 0.000 0.991 284 L CA -0.231 54.569 54.840 -0.068 0.000 0.851 284 L CB 1.014 43.080 42.059 0.011 0.000 1.218 284 L HN 0.454 nan 8.230 nan 0.000 0.420 285 H N 5.353 124.169 119.070 -0.424 0.000 2.562 285 H HA 0.581 5.143 4.556 0.010 0.000 0.314 285 H C -0.839 174.361 175.328 -0.214 0.000 1.079 285 H CA -0.426 55.288 56.048 -0.557 0.000 1.349 285 H CB 0.750 29.859 29.762 -1.089 0.000 1.432 285 H HN 0.495 nan 8.280 nan 0.000 0.479 286 I N 5.693 125.977 120.570 -0.477 0.000 2.378 286 I HA 0.121 4.298 4.170 0.011 0.000 0.291 286 I C 0.130 176.144 176.117 -0.172 0.000 0.992 286 I CA -0.458 60.714 61.300 -0.214 0.000 1.154 286 I CB 0.952 38.787 38.000 -0.275 0.000 1.315 286 I HN 0.720 nan 8.210 nan 0.000 0.448 287 H N 7.411 126.437 119.070 -0.073 0.000 2.467 287 H HA 0.332 4.894 4.556 0.011 0.000 0.331 287 H C 0.272 175.636 175.328 0.060 0.000 1.120 287 H CA -0.429 55.534 56.048 -0.143 0.000 1.270 287 H CB 1.473 31.167 29.762 -0.112 0.000 1.466 287 H HN 0.580 nan 8.280 nan 0.000 0.504 288 R N 3.005 123.419 120.500 -0.144 0.000 2.702 288 R HA 0.446 4.793 4.340 0.011 0.000 0.314 288 R C 0.073 176.509 176.300 0.227 0.000 1.152 288 R CA -0.521 55.697 56.100 0.196 0.000 1.097 288 R CB -0.025 30.396 30.300 0.202 0.000 1.343 288 R HN 0.372 nan 8.270 nan 0.000 0.575 289 A N 1.553 124.600 122.820 0.378 0.000 2.603 289 A HA 0.019 4.345 4.320 0.011 0.000 0.235 289 A C 1.008 178.625 177.584 0.054 0.000 1.035 289 A CA 0.886 53.063 52.037 0.235 0.000 0.755 289 A CB -0.148 18.932 19.000 0.133 0.000 0.954 289 A HN 0.868 nan 8.150 nan 0.000 0.511 290 M N 0.559 120.145 119.600 -0.023 0.000 2.990 290 M HA -0.307 4.180 4.480 0.011 0.000 0.206 290 M C 0.997 177.224 176.300 -0.121 0.000 0.594 290 M CA 1.876 57.121 55.300 -0.092 0.000 0.787 290 M CB -2.008 30.540 32.600 -0.085 0.000 2.812 290 M HN 1.299 nan 8.290 nan 0.000 0.300 291 H N -0.906 118.141 119.070 -0.038 0.000 2.390 291 H HA 0.169 4.731 4.556 0.010 0.000 0.298 291 H C 1.726 177.036 175.328 -0.030 0.000 1.106 291 H CA 2.124 58.163 56.048 -0.016 0.000 1.297 291 H CB -0.658 29.119 29.762 0.025 0.000 1.375 291 H HN 0.500 nan 8.280 nan 0.000 0.509 292 A N 1.074 123.485 122.820 -0.682 0.000 2.119 292 A HA 0.021 4.347 4.320 0.011 0.000 0.217 292 A C 2.444 179.932 177.584 -0.160 0.000 1.153 292 A CA 1.015 52.824 52.037 -0.380 0.000 0.692 292 A CB -0.651 18.091 19.000 -0.430 0.000 0.799 292 A HN 0.359 nan 8.150 nan 0.000 0.458 293 V N -0.246 119.585 119.914 -0.138 0.000 2.427 293 V HA -0.214 3.913 4.120 0.011 0.000 0.248 293 V C 2.202 178.274 176.094 -0.038 0.000 1.051 293 V CA 2.029 64.285 62.300 -0.073 0.000 1.048 293 V CB -0.477 31.303 31.823 -0.071 0.000 0.666 293 V HN 0.613 nan 8.190 nan 0.000 0.456 294 I N 0.558 121.109 120.570 -0.032 0.000 2.927 294 I HA -0.003 4.173 4.170 0.011 0.000 0.268 294 I C 1.753 177.873 176.117 0.005 0.000 1.153 294 I CA 1.076 62.365 61.300 -0.018 0.000 1.459 294 I CB -0.064 37.939 38.000 0.005 0.000 1.149 294 I HN 0.451 nan 8.210 nan 0.000 0.443 295 D N -0.155 120.261 120.400 0.026 0.000 2.433 295 D HA -0.042 4.605 4.640 0.011 0.000 0.211 295 D C 1.857 178.158 176.300 0.001 0.000 1.114 295 D CA -0.008 54.007 54.000 0.026 0.000 0.837 295 D CB -0.086 40.764 40.800 0.084 0.000 0.984 295 D HN 0.068 nan 8.370 nan 0.000 0.505 296 R N 0.291 120.798 120.500 0.012 0.000 2.080 296 R HA 0.039 4.385 4.340 0.011 0.000 0.222 296 R C 0.595 176.921 176.300 0.044 0.000 1.107 296 R CA 0.134 56.246 56.100 0.020 0.000 0.980 296 R CB -0.085 30.216 30.300 0.003 0.000 0.879 296 R HN -0.003 nan 8.270 nan 0.000 0.439 297 N N 1.835 120.570 118.700 0.057 0.000 2.438 297 N HA -0.008 4.738 4.740 0.011 0.000 0.267 297 N C -1.855 173.719 175.510 0.107 0.000 1.222 297 N CA -1.041 52.060 53.050 0.084 0.000 0.930 297 N CB 1.568 40.119 38.487 0.107 0.000 1.083 297 N HN 0.159 nan 8.380 nan 0.000 0.476 298 P HA -0.009 nan 4.420 nan 0.000 0.233 298 P C 0.047 177.429 177.300 0.136 0.000 1.167 298 P CA 0.852 64.031 63.100 0.131 0.000 0.770 298 P CB 0.513 32.286 31.700 0.122 0.000 0.837 299 N N -1.550 117.230 118.700 0.133 0.000 2.220 299 N HA 0.018 4.764 4.740 0.011 0.000 0.195 299 N C -0.248 175.392 175.510 0.217 0.000 1.123 299 N CA 0.250 53.383 53.050 0.137 0.000 0.874 299 N CB 0.179 38.728 38.487 0.103 0.000 0.995 299 N HN 0.317 nan 8.380 nan 0.000 0.498 300 H N -0.549 118.593 119.070 0.120 0.000 3.149 300 H HA 0.561 5.124 4.556 0.011 0.000 0.334 300 H C 0.064 175.490 175.328 0.164 0.000 1.000 300 H CA 0.246 56.397 56.048 0.172 0.000 1.415 300 H CB 0.801 30.644 29.762 0.135 0.000 1.819 300 H HN 0.226 nan 8.280 nan 0.000 0.486 301 G N 2.815 111.575 108.800 -0.067 0.000 2.291 301 G HA2 0.056 4.022 3.960 0.011 0.000 0.249 301 G HA3 0.056 4.022 3.960 0.011 0.000 0.249 301 G C -1.660 173.217 174.900 -0.038 0.000 1.340 301 G CA -0.391 44.629 45.100 -0.132 0.000 1.017 301 G HN 0.573 nan 8.290 nan 0.000 0.470 302 I N 1.132 121.680 120.570 -0.036 0.000 2.447 302 I HA 0.319 4.496 4.170 0.011 0.000 0.287 302 I C 0.175 176.352 176.117 0.099 0.000 1.023 302 I CA -0.875 60.454 61.300 0.049 0.000 1.083 302 I CB 1.854 39.878 38.000 0.040 0.000 1.245 302 I HN 0.631 nan 8.210 nan 0.000 0.434 303 H N 5.031 124.142 119.070 0.069 0.000 2.897 303 H HA -0.032 4.531 4.556 0.010 0.000 0.347 303 H C 0.506 175.855 175.328 0.035 0.000 1.068 303 H CA 0.763 56.864 56.048 0.088 0.000 1.426 303 H CB 0.943 30.773 29.762 0.113 0.000 1.410 303 H HN 0.628 nan 8.280 nan 0.000 0.597 304 F N 5.183 124.946 119.950 -0.312 0.000 2.250 304 F HA -0.210 4.324 4.527 0.010 0.000 0.301 304 F C 2.584 178.261 175.800 -0.205 0.000 1.077 304 F CA 1.694 59.467 58.000 -0.378 0.000 1.348 304 F CB -0.074 38.375 39.000 -0.918 0.000 1.040 304 F HN 0.679 nan 8.300 nan 0.000 0.509 305 R N -0.511 120.079 120.500 0.149 0.000 2.152 305 R HA -0.093 4.253 4.340 0.011 0.000 0.232 305 R C 1.746 178.047 176.300 0.002 0.000 1.117 305 R CA 1.794 57.946 56.100 0.086 0.000 0.981 305 R CB -1.279 29.198 30.300 0.295 0.000 0.870 305 R HN 0.276 nan 8.270 nan 0.000 0.451 306 V N 1.940 121.881 119.914 0.045 0.000 2.379 306 V HA -0.162 3.964 4.120 0.011 0.000 0.245 306 V C 2.461 178.542 176.094 -0.021 0.000 1.044 306 V CA 1.464 63.808 62.300 0.074 0.000 1.036 306 V CB -0.412 31.483 31.823 0.119 0.000 0.664 306 V HN 0.275 nan 8.190 nan 0.000 0.453 307 L N -0.220 120.904 121.223 -0.165 0.000 2.191 307 L HA -0.157 4.189 4.340 0.011 0.000 0.212 307 L C 2.551 179.205 176.870 -0.359 0.000 1.103 307 L CA 1.601 56.307 54.840 -0.223 0.000 0.769 307 L CB -0.957 40.961 42.059 -0.234 0.000 0.908 307 L HN 0.364 nan 8.230 nan 0.000 0.438 308 T N -0.502 113.697 114.554 -0.591 0.000 2.737 308 T HA -0.138 4.218 4.350 0.011 0.000 0.265 308 T C 1.939 176.525 174.700 -0.190 0.000 1.038 308 T CA 1.070 62.894 62.100 -0.460 0.000 1.144 308 T CB -0.001 68.624 68.868 -0.405 0.000 0.866 308 T HN 0.283 nan 8.240 nan 0.000 0.434 309 K N 0.636 121.021 120.400 -0.026 0.000 2.057 309 K HA 0.026 4.353 4.320 0.011 0.000 0.207 309 K C 2.230 178.784 176.600 -0.076 0.000 1.049 309 K CA 1.109 57.485 56.287 0.148 0.000 0.931 309 K CB -0.344 32.333 32.500 0.295 0.000 0.714 309 K HN 0.316 nan 8.250 nan 0.000 0.440 310 I N 1.377 121.850 120.570 -0.162 0.000 2.226 310 I HA -0.281 3.896 4.170 0.011 0.000 0.245 310 I C 2.388 178.289 176.117 -0.360 0.000 1.100 310 I CA 0.804 61.917 61.300 -0.311 0.000 1.374 310 I CB -0.167 37.596 38.000 -0.394 0.000 1.057 310 I HN 0.222 nan 8.210 nan 0.000 0.413 311 L N 1.057 122.069 121.223 -0.352 0.000 2.056 311 L HA -0.201 4.146 4.340 0.011 0.000 0.207 311 L C 2.614 179.257 176.870 -0.379 0.000 1.078 311 L CA 1.774 56.315 54.840 -0.498 0.000 0.749 311 L CB -0.813 40.776 42.059 -0.785 0.000 0.901 311 L HN 0.244 nan 8.230 nan 0.000 0.433 312 R N -0.332 119.970 120.500 -0.331 0.000 2.105 312 R HA -0.173 4.173 4.340 0.011 0.000 0.239 312 R C 2.412 178.563 176.300 -0.249 0.000 1.135 312 R CA 1.529 57.412 56.100 -0.362 0.000 0.967 312 R CB -0.148 29.771 30.300 -0.635 0.000 0.861 312 R HN 0.414 nan 8.270 nan 0.000 0.442 313 L N -0.487 120.635 121.223 -0.167 0.000 2.072 313 L HA -0.113 4.233 4.340 0.011 0.000 0.205 313 L C 2.649 179.432 176.870 -0.145 0.000 1.079 313 L CA 1.347 56.116 54.840 -0.118 0.000 0.752 313 L CB -0.506 41.435 42.059 -0.195 0.000 0.906 313 L HN 0.255 nan 8.230 nan 0.000 0.436 314 S N -0.763 114.820 115.700 -0.196 0.000 2.356 314 S HA 0.045 4.522 4.470 0.011 0.000 0.223 314 S C 0.865 175.385 174.600 -0.134 0.000 1.032 314 S CA 1.076 59.179 58.200 -0.161 0.000 1.005 314 S CB -0.249 62.822 63.200 -0.214 0.000 0.867 314 S HN 0.591 nan 8.310 nan 0.000 0.449 315 G N -1.628 107.064 108.800 -0.180 0.000 2.931 315 G HA2 0.431 4.398 3.960 0.011 0.000 0.675 315 G HA3 0.431 4.398 3.960 0.011 0.000 0.675 315 G C -0.346 174.454 174.900 -0.167 0.000 1.339 315 G CA -0.454 44.551 45.100 -0.158 0.000 0.866 315 G HN 1.076 nan 8.290 nan 0.000 0.616 316 G N 0.068 108.769 108.800 -0.164 0.000 2.632 316 G HA2 0.617 4.584 3.960 0.011 0.000 0.292 316 G HA3 0.617 4.584 3.960 0.011 0.000 0.292 316 G C -0.208 174.643 174.900 -0.081 0.000 1.465 316 G CA 0.214 45.229 45.100 -0.141 0.000 0.824 316 G HN 0.399 nan 8.290 nan 0.000 0.509 317 D N -0.598 119.790 120.400 -0.020 0.000 2.327 317 D HA 0.110 4.756 4.640 0.011 0.000 0.205 317 D C 0.276 176.766 176.300 0.317 0.000 0.989 317 D CA 0.962 55.041 54.000 0.131 0.000 0.873 317 D CB 0.371 41.275 40.800 0.174 0.000 0.955 317 D HN 0.540 nan 8.370 nan 0.000 0.515 318 H N -0.611 118.385 119.070 -0.122 0.000 2.768 318 H HA 0.537 5.100 4.556 0.012 0.000 0.371 318 H C -1.239 173.906 175.328 -0.304 0.000 1.151 318 H CA -1.041 54.902 56.048 -0.176 0.000 1.165 318 H CB 2.815 32.373 29.762 -0.340 0.000 1.722 318 H HN -0.136 nan 8.280 nan 0.000 0.543 319 L N 2.019 123.188 121.223 -0.091 0.000 2.464 319 L HA 0.233 4.580 4.340 0.011 0.000 0.266 319 L C -0.800 176.082 176.870 0.021 0.000 0.965 319 L CA -0.383 54.403 54.840 -0.090 0.000 0.833 319 L CB 1.583 43.587 42.059 -0.092 0.000 1.296 319 L HN 0.703 nan 8.230 nan 0.000 0.405 320 H N 3.266 122.255 119.070 -0.135 0.000 3.004 320 H HA 0.162 4.724 4.556 0.011 0.000 0.316 320 H C 0.181 175.511 175.328 0.004 0.000 1.014 320 H CA 0.898 56.895 56.048 -0.085 0.000 1.454 320 H CB 0.875 30.526 29.762 -0.185 0.000 1.472 320 H HN 0.784 nan 8.280 nan 0.000 0.571 321 T N 0.178 114.832 114.554 0.167 0.000 3.003 321 T HA 0.346 4.702 4.350 0.011 0.000 0.261 321 T C 0.968 175.870 174.700 0.336 0.000 1.003 321 T CA 0.035 62.356 62.100 0.368 0.000 0.917 321 T CB 0.832 70.025 68.868 0.542 0.000 1.084 321 T HN 0.936 nan 8.240 nan 0.000 0.522 322 G N 1.398 110.277 108.800 0.131 0.000 2.707 322 G HA2 -0.070 3.897 3.960 0.011 0.000 0.686 322 G HA3 -0.070 3.897 3.960 0.011 0.000 0.686 322 G C 0.427 175.440 174.900 0.189 0.000 1.315 322 G CA 0.106 45.283 45.100 0.129 0.000 0.832 322 G HN 0.846 nan 8.290 nan 0.000 0.573 323 T N -2.468 112.159 114.554 0.122 0.000 3.022 323 T HA 0.410 4.766 4.350 0.011 0.000 0.250 323 T C 1.946 176.785 174.700 0.230 0.000 1.060 323 T CA 1.378 63.566 62.100 0.146 0.000 1.013 323 T CB 0.345 69.185 68.868 -0.046 0.000 0.982 323 T HN 2.259 nan 8.240 nan 0.000 0.508 324 V N 0.760 120.731 119.914 0.094 0.000 0.489 324 V HA -0.368 3.758 4.120 0.011 0.000 0.092 324 V C 2.329 178.427 176.094 0.005 0.000 2.367 324 V CA 1.989 64.277 62.300 -0.021 0.000 3.630 324 V CB -2.209 29.520 31.823 -0.156 0.000 0.914 324 V HN 0.635 nan 8.190 nan 0.000 0.957 325 V N -0.313 119.630 119.914 0.049 0.000 2.720 325 V HA 0.027 4.154 4.120 0.011 0.000 0.256 325 V C 2.139 178.255 176.094 0.037 0.000 1.082 325 V CA 2.728 65.064 62.300 0.059 0.000 1.101 325 V CB -1.201 30.692 31.823 0.116 0.000 0.693 325 V HN 0.933 nan 8.190 nan 0.000 0.479 326 G N 0.508 109.310 108.800 0.003 0.000 2.848 326 G HA2 0.052 4.018 3.960 0.011 0.000 0.208 326 G HA3 0.052 4.018 3.960 0.011 0.000 0.208 326 G C 0.699 175.615 174.900 0.026 0.000 1.152 326 G CA -0.011 45.093 45.100 0.006 0.000 0.789 326 G HN 0.595 nan 8.290 nan 0.000 0.531 327 K N 0.145 120.559 120.400 0.024 0.000 2.221 327 K HA 0.478 4.804 4.320 0.011 0.000 0.243 327 K C -0.357 176.257 176.600 0.023 0.000 0.968 327 K CA -0.959 55.343 56.287 0.025 0.000 0.846 327 K CB 2.101 34.611 32.500 0.016 0.000 1.141 327 K HN -0.042 nan 8.250 nan 0.000 0.434 328 L N 1.484 122.722 121.223 0.025 0.000 2.473 328 L HA -0.016 4.331 4.340 0.011 0.000 0.268 328 L C 2.161 179.037 176.870 0.010 0.000 1.215 328 L CA 0.243 55.096 54.840 0.022 0.000 0.823 328 L CB 0.248 42.322 42.059 0.024 0.000 1.099 328 L HN 0.779 nan 8.230 nan 0.000 0.483 329 E N 1.560 121.765 120.200 0.009 0.000 2.118 329 E HA -0.201 4.155 4.350 0.011 0.000 0.195 329 E C 1.668 178.263 176.600 -0.009 0.000 0.992 329 E CA 1.420 57.819 56.400 -0.002 0.000 0.804 329 E CB 0.019 29.721 29.700 0.003 0.000 0.741 329 E HN 0.937 nan 8.360 nan 0.000 0.458 330 G N -0.069 108.731 108.800 0.000 0.000 2.848 330 G HA2 -0.115 3.852 3.960 0.011 0.000 0.208 330 G HA3 -0.115 3.852 3.960 0.011 0.000 0.208 330 G C 0.664 175.565 174.900 0.001 0.000 1.152 330 G CA 0.271 45.370 45.100 -0.000 0.000 0.789 330 G HN 0.206 nan 8.290 nan 0.000 0.531 331 D N -0.418 119.982 120.400 0.000 0.000 2.501 331 D HA 0.139 4.785 4.640 0.011 0.000 0.224 331 D C 1.696 177.985 176.300 -0.019 0.000 1.202 331 D CA -0.204 53.802 54.000 0.009 0.000 0.829 331 D CB 0.594 41.411 40.800 0.029 0.000 1.023 331 D HN 0.239 nan 8.370 nan 0.000 0.499 332 R N 0.355 120.822 120.500 -0.055 0.000 2.282 332 R HA 0.219 4.566 4.340 0.011 0.000 0.195 332 R C 2.069 178.266 176.300 -0.172 0.000 0.909 332 R CA 0.241 56.271 56.100 -0.116 0.000 1.039 332 R CB 0.376 30.610 30.300 -0.111 0.000 1.015 332 R HN -0.016 nan 8.270 nan 0.000 0.513 333 A N 0.487 123.235 122.820 -0.119 0.000 1.933 333 A HA -0.187 4.139 4.320 0.011 0.000 0.218 333 A C 2.084 179.568 177.584 -0.168 0.000 1.175 333 A CA 1.935 53.894 52.037 -0.129 0.000 0.628 333 A CB -0.511 18.442 19.000 -0.079 0.000 0.814 333 A HN 0.264 nan 8.150 nan 0.000 0.444 334 S N -1.044 114.576 115.700 -0.133 0.000 2.383 334 S HA -0.128 4.349 4.470 0.011 0.000 0.227 334 S C 2.054 176.363 174.600 -0.485 0.000 1.026 334 S CA 2.106 60.253 58.200 -0.089 0.000 0.981 334 S CB -0.568 62.739 63.200 0.177 0.000 0.818 334 S HN 0.620 nan 8.310 nan 0.000 0.472 335 T N 2.957 116.989 114.554 -0.869 0.000 2.708 335 T HA 0.022 4.378 4.350 0.011 0.000 0.266 335 T C 1.731 175.793 174.700 -1.063 0.000 1.037 335 T CA 1.458 62.574 62.100 -1.640 0.000 1.146 335 T CB -0.426 67.885 68.868 -0.929 0.000 0.865 335 T HN 0.334 nan 8.240 nan 0.000 0.435 336 L N 0.730 121.604 121.223 -0.582 0.000 2.083 336 L HA -0.026 4.321 4.340 0.011 0.000 0.209 336 L C 2.994 179.696 176.870 -0.280 0.000 1.083 336 L CA 1.258 55.859 54.840 -0.398 0.000 0.752 336 L CB -1.065 40.823 42.059 -0.284 0.000 0.899 336 L HN 0.358 nan 8.230 nan 0.000 0.433 337 G N 0.633 109.292 108.800 -0.235 0.000 2.421 337 G HA2 -0.296 3.670 3.960 0.011 0.000 0.216 337 G HA3 -0.296 3.670 3.960 0.011 0.000 0.216 337 G C 1.172 176.104 174.900 0.053 0.000 1.171 337 G CA 0.873 45.927 45.100 -0.077 0.000 0.775 337 G HN 0.666 nan 8.290 nan 0.000 0.543 338 W N 0.667 122.010 121.300 0.073 0.000 2.584 338 W HA 0.314 4.980 4.660 0.011 0.000 0.264 338 W C 1.837 178.400 176.519 0.074 0.000 1.264 338 W CA -0.091 57.315 57.345 0.102 0.000 1.306 338 W CB -0.542 29.032 29.460 0.191 0.000 1.110 338 W HN 0.162 nan 8.180 nan 0.000 0.606 339 I N 1.342 121.963 120.570 0.084 0.000 2.226 339 I HA -0.282 3.894 4.170 0.011 0.000 0.245 339 I C 2.082 178.225 176.117 0.044 0.000 1.100 339 I CA 1.863 63.210 61.300 0.077 0.000 1.374 339 I CB -0.518 37.426 38.000 -0.094 0.000 1.057 339 I HN -0.110 nan 8.210 nan 0.000 0.413 340 D N 0.783 121.189 120.400 0.011 0.000 2.117 340 D HA -0.134 4.513 4.640 0.011 0.000 0.197 340 D C 2.324 178.667 176.300 0.072 0.000 0.987 340 D CA 1.205 55.217 54.000 0.020 0.000 0.829 340 D CB -0.279 40.524 40.800 0.005 0.000 0.961 340 D HN 0.274 nan 8.370 nan 0.000 0.460 341 L N 0.055 121.364 121.223 0.143 0.000 2.127 341 L HA -0.162 4.185 4.340 0.011 0.000 0.211 341 L C 2.299 179.211 176.870 0.071 0.000 1.089 341 L CA 0.413 55.400 54.840 0.246 0.000 0.757 341 L CB -0.234 42.007 42.059 0.303 0.000 0.899 341 L HN 0.085 nan 8.230 nan 0.000 0.434 342 L N -0.639 120.583 121.223 -0.002 0.000 2.179 342 L HA -0.086 4.260 4.340 0.011 0.000 0.208 342 L C 2.458 179.174 176.870 -0.257 0.000 1.096 342 L CA 1.646 56.396 54.840 -0.151 0.000 0.779 342 L CB -0.270 41.785 42.059 -0.006 0.000 0.922 342 L HN 0.094 nan 8.230 nan 0.000 0.443 343 R N -1.547 118.855 120.500 -0.164 0.000 2.257 343 R HA 0.204 4.550 4.340 0.011 0.000 0.195 343 R C 0.125 176.338 176.300 -0.145 0.000 0.921 343 R CA -0.200 55.800 56.100 -0.167 0.000 1.069 343 R CB 0.439 30.675 30.300 -0.106 0.000 1.115 343 R HN 0.221 nan 8.270 nan 0.000 0.571 344 E N 0.417 120.572 120.200 -0.074 0.000 2.280 344 E HA 0.090 4.447 4.350 0.011 0.000 0.261 344 E C 0.371 177.029 176.600 0.096 0.000 1.088 344 E CA -0.059 56.351 56.400 0.017 0.000 0.915 344 E CB 1.695 31.434 29.700 0.065 0.000 1.141 344 E HN -0.158 nan 8.360 nan 0.000 0.433 345 S N 0.470 116.269 115.700 0.166 0.000 2.406 345 S HA 0.024 4.500 4.470 0.011 0.000 0.224 345 S C 0.116 174.968 174.600 0.419 0.000 1.030 345 S CA 0.314 58.674 58.200 0.268 0.000 0.958 345 S CB 0.151 63.465 63.200 0.190 0.000 0.811 345 S HN 0.395 nan 8.310 nan 0.000 0.489 346 F N 0.891 120.952 119.950 0.185 0.000 2.573 346 F HA 0.631 5.164 4.527 0.010 0.000 0.316 346 F C -1.931 173.945 175.800 0.126 0.000 1.148 346 F CA -1.187 56.898 58.000 0.142 0.000 0.940 346 F CB 1.360 40.408 39.000 0.080 0.000 1.214 346 F HN -0.101 nan 8.300 nan 0.000 0.448 347 I N 8.255 128.465 120.570 -0.599 0.000 2.420 347 I HA 0.396 4.572 4.170 0.011 0.000 0.282 347 I C -2.345 173.396 176.117 -0.627 0.000 1.019 347 I CA -2.180 58.899 61.300 -0.368 0.000 1.130 347 I CB 1.475 39.414 38.000 -0.102 0.000 1.262 347 I HN 0.304 nan 8.210 nan 0.000 0.454 348 P HA 0.085 nan 4.420 nan 0.000 0.274 348 P C -0.155 177.072 177.300 -0.121 0.000 1.231 348 P CA -0.443 62.541 63.100 -0.193 0.000 0.790 348 P CB 0.737 32.480 31.700 0.071 0.000 0.951 349 E N 1.293 121.448 120.200 -0.075 0.000 2.568 349 E HA -0.079 4.277 4.350 0.011 0.000 0.262 349 E C -0.578 175.961 176.600 -0.102 0.000 0.961 349 E CA 0.707 57.056 56.400 -0.084 0.000 0.945 349 E CB 0.016 29.683 29.700 -0.055 0.000 0.924 349 E HN 0.294 nan 8.360 nan 0.000 0.467 350 D N 3.790 124.094 120.400 -0.160 0.000 2.362 350 D HA 0.098 4.744 4.640 0.011 0.000 0.232 350 D C 0.185 176.339 176.300 -0.244 0.000 1.329 350 D CA -0.484 53.422 54.000 -0.156 0.000 0.944 350 D CB 0.388 41.121 40.800 -0.110 0.000 1.471 350 D HN 0.373 nan 8.370 nan 0.000 0.533 351 R N 0.864 121.197 120.500 -0.279 0.000 2.152 351 R HA -0.084 4.262 4.340 0.011 0.000 0.232 351 R C 1.918 178.061 176.300 -0.261 0.000 1.117 351 R CA 1.253 57.116 56.100 -0.394 0.000 0.981 351 R CB -0.887 29.227 30.300 -0.309 0.000 0.870 351 R HN 0.511 nan 8.270 nan 0.000 0.451 352 S N 0.395 116.001 115.700 -0.157 0.000 2.419 352 S HA -0.094 4.382 4.470 0.011 0.000 0.233 352 S C 1.693 176.233 174.600 -0.100 0.000 1.016 352 S CA 0.819 58.960 58.200 -0.098 0.000 0.974 352 S CB -0.067 63.092 63.200 -0.069 0.000 0.786 352 S HN 0.263 nan 8.310 nan 0.000 0.492 353 R N 0.377 120.798 120.500 -0.132 0.000 2.468 353 R HA 0.347 4.693 4.340 0.011 0.000 0.280 353 R C 1.228 177.457 176.300 -0.119 0.000 0.963 353 R CA 0.375 56.407 56.100 -0.113 0.000 1.083 353 R CB 0.245 30.481 30.300 -0.107 0.000 1.200 353 R HN 0.540 nan 8.270 nan 0.000 0.541 354 G N 1.304 109.980 108.800 -0.206 0.000 2.160 354 G HA2 -0.227 3.740 3.960 0.011 0.000 0.251 354 G HA3 -0.227 3.740 3.960 0.011 0.000 0.251 354 G C 0.016 174.735 174.900 -0.302 0.000 1.008 354 G CA -0.178 44.761 45.100 -0.268 0.000 0.724 354 G HN 0.161 nan 8.290 nan 0.000 0.514 355 I N 0.832 121.209 120.570 -0.322 0.000 2.291 355 I HA 0.410 4.586 4.170 0.011 0.000 0.290 355 I C 0.989 176.905 176.117 -0.335 0.000 1.050 355 I CA -1.037 60.155 61.300 -0.180 0.000 1.245 355 I CB 0.179 38.117 38.000 -0.103 0.000 1.405 355 I HN -0.001 nan 8.210 nan 0.000 0.478 356 F N 5.222 125.016 119.950 -0.260 0.000 2.664 356 F HA 0.160 4.693 4.527 0.011 0.000 0.296 356 F C 0.403 175.817 175.800 -0.643 0.000 1.125 356 F CA 0.507 58.207 58.000 -0.499 0.000 1.444 356 F CB 0.052 38.626 39.000 -0.711 0.000 1.114 356 F HN 0.197 nan 8.300 nan 0.000 0.576 357 F N -0.648 119.382 119.950 0.134 0.000 2.588 357 F HA 0.326 4.860 4.527 0.011 0.000 0.310 357 F C -0.211 175.565 175.800 -0.040 0.000 1.082 357 F CA -1.977 56.059 58.000 0.059 0.000 0.929 357 F CB 0.584 39.621 39.000 0.063 0.000 1.254 357 F HN -0.377 nan 8.300 nan 0.000 0.455 358 D N 1.505 121.980 120.400 0.125 0.000 2.488 358 D HA 0.141 4.787 4.640 0.011 0.000 0.238 358 D C -0.338 175.894 176.300 -0.113 0.000 1.138 358 D CA 0.471 54.423 54.000 -0.079 0.000 0.873 358 D CB 0.858 41.690 40.800 0.054 0.000 1.183 358 D HN 0.373 nan 8.370 nan 0.000 0.458 359 Q N 1.875 121.478 119.800 -0.329 0.000 2.309 359 Q HA 0.244 4.591 4.340 0.011 0.000 0.270 359 Q C -1.767 174.000 176.000 -0.390 0.000 1.023 359 Q CA -0.709 54.906 55.803 -0.313 0.000 0.758 359 Q CB 1.240 29.828 28.738 -0.251 0.000 1.247 359 Q HN 0.161 nan 8.270 nan 0.000 0.455 360 D N 3.072 123.352 120.400 -0.200 0.000 2.280 360 D HA 0.220 4.866 4.640 0.011 0.000 0.236 360 D C -0.467 175.741 176.300 -0.154 0.000 1.082 360 D CA -0.279 53.759 54.000 0.063 0.000 0.834 360 D CB 0.585 41.529 40.800 0.240 0.000 1.100 360 D HN 0.700 nan 8.370 nan 0.000 0.486 361 W N 3.115 124.483 121.300 0.114 0.000 3.211 361 W HA 0.261 4.927 4.660 0.010 0.000 0.292 361 W C 1.782 178.335 176.519 0.058 0.000 1.268 361 W CA 0.214 57.596 57.345 0.061 0.000 1.702 361 W CB 0.188 29.664 29.460 0.027 0.000 1.092 361 W HN 0.735 nan 8.180 nan 0.000 0.643 362 G N 1.491 110.442 108.800 0.250 0.000 2.622 362 G HA2 -0.454 3.512 3.960 0.011 0.000 0.307 362 G HA3 -0.454 3.512 3.960 0.011 0.000 0.307 362 G C 1.112 176.104 174.900 0.153 0.000 1.226 362 G CA 1.440 46.638 45.100 0.164 0.000 0.997 362 G HN 0.449 nan 8.290 nan 0.000 0.551 363 S N -0.055 115.711 115.700 0.109 0.000 2.605 363 S HA 0.463 4.939 4.470 0.011 0.000 0.217 363 S C 1.112 175.752 174.600 0.066 0.000 0.958 363 S CA 1.009 59.255 58.200 0.076 0.000 0.919 363 S CB 0.106 63.335 63.200 0.048 0.000 0.780 363 S HN 0.841 nan 8.310 nan 0.000 0.507 364 M N 3.356 123.020 119.600 0.106 0.000 2.246 364 M HA 0.280 4.766 4.480 0.011 0.000 0.350 364 M C -2.591 173.697 176.300 -0.021 0.000 1.406 364 M CA -1.772 53.564 55.300 0.060 0.000 1.089 364 M CB 0.505 33.192 32.600 0.145 0.000 1.782 364 M HN -0.040 nan 8.290 nan 0.000 0.457 365 P HA 0.192 nan 4.420 nan 0.000 0.270 365 P C -0.335 176.847 177.300 -0.196 0.000 1.223 365 P CA -0.253 62.789 63.100 -0.095 0.000 0.785 365 P CB 0.368 32.029 31.700 -0.066 0.000 0.923 366 G N 0.149 108.830 108.800 -0.199 0.000 2.537 366 G HA2 0.472 4.438 3.960 0.011 0.000 0.273 366 G HA3 0.472 4.438 3.960 0.011 0.000 0.273 366 G C -0.956 173.811 174.900 -0.221 0.000 1.189 366 G CA -0.409 44.533 45.100 -0.263 0.000 0.881 366 G HN 0.360 nan 8.290 nan 0.000 0.535 367 V N 0.627 120.408 119.914 -0.222 0.000 2.555 367 V HA 0.338 4.464 4.120 0.011 0.000 0.302 367 V C -0.417 175.621 176.094 -0.094 0.000 1.038 367 V CA -0.715 61.510 62.300 -0.124 0.000 0.887 367 V CB 1.548 33.282 31.823 -0.149 0.000 0.991 367 V HN 0.580 nan 8.190 nan 0.000 0.434 368 F N 2.887 122.778 119.950 -0.098 0.000 2.578 368 F HA 0.344 4.878 4.527 0.010 0.000 0.376 368 F C 1.055 176.778 175.800 -0.129 0.000 1.085 368 F CA 0.407 58.317 58.000 -0.152 0.000 1.260 368 F CB 0.626 39.412 39.000 -0.357 0.000 1.095 368 F HN 0.602 nan 8.300 nan 0.000 0.573 369 A N 4.430 127.331 122.820 0.136 0.000 2.362 369 A HA 0.555 4.882 4.320 0.011 0.000 0.276 369 A C -0.701 176.878 177.584 -0.008 0.000 1.153 369 A CA -0.561 51.557 52.037 0.134 0.000 0.813 369 A CB 0.277 19.454 19.000 0.295 0.000 1.081 369 A HN 0.524 nan 8.150 nan 0.000 0.507 370 V N 2.617 122.470 119.914 -0.102 0.000 2.347 370 V HA 0.555 4.682 4.120 0.011 0.000 0.280 370 V C 0.585 176.462 176.094 -0.362 0.000 1.021 370 V CA -0.295 61.826 62.300 -0.298 0.000 0.847 370 V CB 1.065 32.628 31.823 -0.434 0.000 0.990 370 V HN 1.067 nan 8.190 nan 0.000 0.444 371 A N 4.009 126.529 122.820 -0.500 0.000 2.260 371 A HA 0.818 5.144 4.320 0.011 0.000 0.308 371 A C 0.046 177.381 177.584 -0.415 0.000 1.254 371 A CA -0.247 51.504 52.037 -0.477 0.000 0.874 371 A CB 1.073 19.592 19.000 -0.802 0.000 1.153 371 A HN 0.839 nan 8.150 nan 0.000 0.527 372 S N 1.420 116.951 115.700 -0.281 0.000 2.537 372 S HA 0.751 5.227 4.470 0.011 0.000 0.270 372 S C -0.526 173.992 174.600 -0.137 0.000 1.142 372 S CA 0.388 58.453 58.200 -0.226 0.000 0.870 372 S CB 1.388 64.525 63.200 -0.104 0.000 1.112 372 S HN 2.594 nan 8.310 nan 0.000 0.466 373 G N 1.573 110.282 108.800 -0.151 0.000 2.949 373 G HA2 0.450 4.416 3.960 0.011 0.000 0.658 373 G HA3 0.450 4.416 3.960 0.011 0.000 0.658 373 G C 0.842 175.652 174.900 -0.150 0.000 1.194 373 G CA 0.324 45.369 45.100 -0.091 0.000 1.204 373 G HN 2.140 nan 8.290 nan 0.000 0.524 374 G N 0.222 108.948 108.800 -0.124 0.000 2.160 374 G HA2 -0.048 3.919 3.960 0.011 0.000 0.251 374 G HA3 -0.048 3.919 3.960 0.011 0.000 0.251 374 G C 0.602 175.346 174.900 -0.259 0.000 1.008 374 G CA 0.970 46.003 45.100 -0.111 0.000 0.724 374 G HN 2.238 nan 8.290 nan 0.000 0.514 375 I N -1.848 118.510 120.570 -0.353 0.000 2.577 375 I HA 0.939 5.115 4.170 0.011 0.000 0.305 375 I C 0.288 176.387 176.117 -0.030 0.000 0.986 375 I CA -1.310 59.702 61.300 -0.481 0.000 1.189 375 I CB 1.535 39.173 38.000 -0.603 0.000 1.355 375 I HN 0.319 nan 8.210 nan 0.000 0.476 376 H N 1.579 120.902 119.070 0.421 0.000 2.947 376 H HA 0.441 5.003 4.556 0.011 0.000 0.290 376 H C 0.580 176.045 175.328 0.228 0.000 1.430 376 H CA -0.466 55.669 56.048 0.144 0.000 1.189 376 H CB 0.431 29.963 29.762 -0.383 0.000 1.875 376 H HN 0.323 nan 8.280 nan 0.000 0.568 377 V N -3.017 117.011 119.914 0.190 0.000 2.469 377 V HA -0.209 3.917 4.120 0.011 0.000 0.251 377 V C 1.304 177.431 176.094 0.055 0.000 1.064 377 V CA 1.731 64.009 62.300 -0.036 0.000 1.066 377 V CB -1.195 30.498 31.823 -0.217 0.000 0.667 377 V HN 0.752 nan 8.190 nan 0.000 0.461 378 W N 0.381 121.859 121.300 0.297 0.000 2.525 378 W HA 0.065 4.731 4.660 0.011 0.000 0.259 378 W C 2.398 178.889 176.519 -0.047 0.000 1.253 378 W CA 1.188 58.597 57.345 0.106 0.000 1.262 378 W CB -0.583 28.945 29.460 0.113 0.000 1.122 378 W HN 0.391 nan 8.180 nan 0.000 0.607 379 H N -1.228 118.010 119.070 0.281 0.000 2.548 379 H HA -0.031 4.531 4.556 0.011 0.000 0.268 379 H C 1.977 177.400 175.328 0.158 0.000 0.975 379 H CA 0.967 57.106 56.048 0.153 0.000 1.195 379 H CB -0.106 29.677 29.762 0.035 0.000 1.397 379 H HN -0.015 nan 8.280 nan 0.000 0.572 380 M N 1.189 120.936 119.600 0.245 0.000 2.080 380 M HA -0.066 4.420 4.480 0.011 0.000 0.260 380 M C -0.996 175.391 176.300 0.145 0.000 1.068 380 M CA 1.573 56.981 55.300 0.181 0.000 1.109 380 M CB -0.537 32.105 32.600 0.070 0.000 1.342 380 M HN 0.089 nan 8.290 nan 0.000 0.405 381 P HA -0.100 nan 4.420 nan 0.000 0.215 381 P C 1.115 178.488 177.300 0.121 0.000 1.157 381 P CA 2.249 65.413 63.100 0.107 0.000 0.868 381 P CB -0.321 31.441 31.700 0.103 0.000 0.788 382 A N -0.843 122.062 122.820 0.143 0.000 1.898 382 A HA -0.145 4.182 4.320 0.011 0.000 0.216 382 A C 2.230 179.916 177.584 0.170 0.000 1.181 382 A CA 1.365 53.485 52.037 0.139 0.000 0.620 382 A CB -1.647 17.442 19.000 0.148 0.000 0.819 382 A HN 0.095 nan 8.150 nan 0.000 0.442 383 L N -0.628 120.722 121.223 0.211 0.000 2.017 383 L HA -0.163 4.183 4.340 0.011 0.000 0.208 383 L C 2.529 179.563 176.870 0.273 0.000 1.073 383 L CA 1.137 56.143 54.840 0.276 0.000 0.745 383 L CB -0.584 41.586 42.059 0.184 0.000 0.894 383 L HN 0.238 nan 8.230 nan 0.000 0.432 384 V N 0.132 120.155 119.914 0.181 0.000 2.343 384 V HA -0.279 3.847 4.120 0.011 0.000 0.247 384 V C 2.257 178.431 176.094 0.133 0.000 1.051 384 V CA 2.096 64.485 62.300 0.149 0.000 1.036 384 V CB -0.707 31.179 31.823 0.106 0.000 0.654 384 V HN 0.506 nan 8.190 nan 0.000 0.451 385 N N 0.172 118.938 118.700 0.111 0.000 2.142 385 N HA -0.097 4.649 4.740 0.011 0.000 0.186 385 N C 1.575 177.116 175.510 0.050 0.000 1.023 385 N CA 1.651 54.744 53.050 0.072 0.000 0.852 385 N CB -0.173 38.349 38.487 0.058 0.000 0.998 385 N HN 0.490 nan 8.380 nan 0.000 0.424 386 I N -1.317 119.288 120.570 0.059 0.000 2.400 386 I HA -0.093 4.083 4.170 0.011 0.000 0.248 386 I C 1.121 177.152 176.117 -0.144 0.000 1.109 386 I CA 0.687 61.946 61.300 -0.069 0.000 1.425 386 I CB -0.088 37.838 38.000 -0.124 0.000 1.094 386 I HN 0.049 nan 8.210 nan 0.000 0.425 387 F N 0.708 120.656 119.950 -0.003 0.000 2.473 387 F HA 0.271 4.804 4.527 0.011 0.000 0.294 387 F C 1.726 177.529 175.800 0.004 0.000 1.103 387 F CA 0.706 58.704 58.000 -0.004 0.000 1.442 387 F CB -0.519 38.483 39.000 0.005 0.000 1.097 387 F HN 0.132 nan 8.300 nan 0.000 0.547 388 G N 0.669 109.583 108.800 0.190 0.000 2.692 388 G HA2 -0.310 3.657 3.960 0.011 0.000 0.248 388 G HA3 -0.310 3.657 3.960 0.011 0.000 0.248 388 G C 0.282 175.266 174.900 0.140 0.000 1.340 388 G CA 0.156 45.332 45.100 0.126 0.000 0.896 388 G HN 0.188 nan 8.290 nan 0.000 0.570 389 D N 0.456 120.919 120.400 0.104 0.000 2.224 389 D HA 0.039 4.685 4.640 0.011 0.000 0.205 389 D C 0.974 177.361 176.300 0.145 0.000 0.965 389 D CA 1.269 55.338 54.000 0.115 0.000 0.852 389 D CB -0.072 40.787 40.800 0.099 0.000 0.947 389 D HN 0.390 nan 8.370 nan 0.000 0.494 390 D N 0.699 121.150 120.400 0.084 0.000 2.896 390 D HA 0.129 4.775 4.640 0.011 0.000 0.240 390 D C -0.040 176.336 176.300 0.126 0.000 1.193 390 D CA 0.048 54.033 54.000 -0.024 0.000 0.983 390 D CB -0.034 40.599 40.800 -0.278 0.000 1.074 390 D HN 0.010 nan 8.370 nan 0.000 0.496 391 S N -1.545 114.360 115.700 0.342 0.000 2.579 391 S HA 0.658 5.134 4.470 0.011 0.000 0.272 391 S C -0.757 173.914 174.600 0.119 0.000 1.141 391 S CA -0.844 57.489 58.200 0.222 0.000 0.843 391 S CB 2.125 65.343 63.200 0.031 0.000 1.122 391 S HN -0.104 nan 8.310 nan 0.000 0.468 392 V N 2.146 122.007 119.914 -0.089 0.000 2.409 392 V HA 0.474 4.600 4.120 0.011 0.000 0.291 392 V C -0.731 175.233 176.094 -0.216 0.000 1.020 392 V CA -0.643 61.562 62.300 -0.159 0.000 0.848 392 V CB 1.152 32.841 31.823 -0.225 0.000 0.990 392 V HN 0.833 nan 8.190 nan 0.000 0.430 393 L N 5.167 126.305 121.223 -0.143 0.000 2.280 393 L HA 0.551 4.897 4.340 0.011 0.000 0.287 393 L C -0.151 176.588 176.870 -0.219 0.000 1.023 393 L CA -0.390 54.304 54.840 -0.243 0.000 0.819 393 L CB 1.267 43.303 42.059 -0.037 0.000 1.212 393 L HN 0.553 nan 8.230 nan 0.000 0.420 394 Q N 3.826 123.366 119.800 -0.433 0.000 2.307 394 Q HA 0.484 4.830 4.340 0.011 0.000 0.262 394 Q C -1.306 174.377 176.000 -0.528 0.000 0.961 394 Q CA -0.322 55.316 55.803 -0.277 0.000 0.882 394 Q CB 2.614 31.257 28.738 -0.159 0.000 1.264 394 Q HN 0.409 nan 8.270 nan 0.000 0.446 395 F N 0.589 120.501 119.950 -0.063 0.000 2.513 395 F HA 0.338 4.871 4.527 0.011 0.000 0.358 395 F C 0.910 176.677 175.800 -0.056 0.000 1.118 395 F CA -0.618 57.329 58.000 -0.088 0.000 1.037 395 F CB 1.525 40.460 39.000 -0.109 0.000 1.276 395 F HN 0.679 nan 8.300 nan 0.000 0.446 396 G N 1.616 110.453 108.800 0.061 0.000 2.670 396 G HA2 0.090 4.056 3.960 0.011 0.000 0.219 396 G HA3 0.090 4.056 3.960 0.011 0.000 0.219 396 G C 1.752 176.704 174.900 0.087 0.000 1.342 396 G CA 0.562 45.704 45.100 0.070 0.000 0.902 396 G HN 0.744 nan 8.290 nan 0.000 0.553 397 G N 0.582 109.431 108.800 0.081 0.000 2.450 397 G HA2 0.060 4.027 3.960 0.011 0.000 0.220 397 G HA3 0.060 4.027 3.960 0.011 0.000 0.220 397 G C 1.640 176.606 174.900 0.110 0.000 1.130 397 G CA 1.385 46.565 45.100 0.134 0.000 0.760 397 G HN 0.721 nan 8.290 nan 0.000 0.557 398 G N -0.869 107.863 108.800 -0.113 0.000 2.679 398 G HA2 0.155 4.121 3.960 0.011 0.000 0.212 398 G HA3 0.155 4.121 3.960 0.011 0.000 0.212 398 G C 1.443 176.201 174.900 -0.237 0.000 1.137 398 G CA 1.473 46.236 45.100 -0.561 0.000 0.787 398 G HN 0.403 nan 8.290 nan 0.000 0.534 399 T N 0.245 114.837 114.554 0.063 0.000 3.114 399 T HA 0.140 4.496 4.350 0.011 0.000 0.240 399 T C 2.279 177.110 174.700 0.219 0.000 0.983 399 T CA -0.165 62.017 62.100 0.137 0.000 1.151 399 T CB -0.051 68.870 68.868 0.088 0.000 0.974 399 T HN 0.094 nan 8.240 nan 0.000 0.442 400 L N 1.116 122.447 121.223 0.180 0.000 2.275 400 L HA 0.127 4.473 4.340 0.011 0.000 0.215 400 L C 2.513 179.518 176.870 0.225 0.000 1.119 400 L CA 1.072 56.013 54.840 0.167 0.000 0.790 400 L CB -0.544 41.587 42.059 0.120 0.000 0.919 400 L HN 0.334 nan 8.230 nan 0.000 0.443 401 G N -2.347 106.658 108.800 0.343 0.000 2.985 401 G HA2 -0.107 3.859 3.960 0.011 0.000 0.209 401 G HA3 -0.107 3.859 3.960 0.011 0.000 0.209 401 G C 0.559 175.628 174.900 0.282 0.000 1.165 401 G CA -0.291 45.029 45.100 0.368 0.000 0.776 401 G HN 0.253 nan 8.290 nan 0.000 0.541 402 H N 1.933 121.166 119.070 0.271 0.000 2.964 402 H HA 0.069 4.631 4.556 0.011 0.000 0.328 402 H C -1.122 174.181 175.328 -0.041 0.000 1.030 402 H CA -1.259 54.825 56.048 0.059 0.000 1.445 402 H CB 1.945 31.774 29.762 0.112 0.000 1.449 402 H HN 0.036 nan 8.280 nan 0.000 0.581 403 P HA -0.124 nan 4.420 nan 0.000 0.225 403 P C 0.643 178.163 177.300 0.366 0.000 1.148 403 P CA 1.006 64.112 63.100 0.010 0.000 0.779 403 P CB 0.102 31.692 31.700 -0.184 0.000 0.780 404 W N 0.370 121.882 121.300 0.353 0.000 3.239 404 W HA 0.507 5.173 4.660 0.010 0.000 0.348 404 W C 1.066 177.618 176.519 0.054 0.000 1.183 404 W CA 0.386 57.824 57.345 0.155 0.000 1.819 404 W CB -0.611 28.909 29.460 0.100 0.000 1.091 404 W HN 0.035 nan 8.180 nan 0.000 0.629 405 G N 1.088 110.053 108.800 0.276 0.000 2.631 405 G HA2 -0.289 3.677 3.960 0.011 0.000 0.504 405 G HA3 -0.289 3.677 3.960 0.011 0.000 0.504 405 G C 0.635 175.580 174.900 0.076 0.000 1.306 405 G CA -0.184 45.002 45.100 0.143 0.000 0.897 405 G HN -0.020 nan 8.290 nan 0.000 0.520 406 N N -0.032 118.691 118.700 0.038 0.000 2.188 406 N HA 0.051 4.798 4.740 0.011 0.000 0.184 406 N C 2.668 178.146 175.510 -0.053 0.000 1.018 406 N CA 2.305 55.359 53.050 0.007 0.000 0.858 406 N CB -0.587 37.891 38.487 -0.015 0.000 0.989 406 N HN 1.040 nan 8.380 nan 0.000 0.426 407 A N 0.980 123.751 122.820 -0.083 0.000 1.873 407 A HA 0.059 4.386 4.320 0.011 0.000 0.215 407 A C 2.341 179.854 177.584 -0.119 0.000 1.186 407 A CA 1.914 53.881 52.037 -0.116 0.000 0.616 407 A CB -1.009 17.915 19.000 -0.127 0.000 0.823 407 A HN 0.289 nan 8.150 nan 0.000 0.442 408 A N -0.444 122.294 122.820 -0.136 0.000 1.908 408 A HA 0.076 4.402 4.320 0.011 0.000 0.218 408 A C 2.421 179.721 177.584 -0.472 0.000 1.181 408 A CA 2.073 53.944 52.037 -0.277 0.000 0.627 408 A CB -1.450 17.394 19.000 -0.260 0.000 0.818 408 A HN 0.759 nan 8.150 nan 0.000 0.445 409 G N -0.526 108.063 108.800 -0.352 0.000 2.421 409 G HA2 -0.024 3.943 3.960 0.011 0.000 0.216 409 G HA3 -0.024 3.943 3.960 0.011 0.000 0.216 409 G C 1.782 176.665 174.900 -0.028 0.000 1.171 409 G CA 1.591 46.681 45.100 -0.018 0.000 0.775 409 G HN 0.826 nan 8.290 nan 0.000 0.543 410 A N 1.258 124.038 122.820 -0.066 0.000 1.883 410 A HA 0.199 4.525 4.320 0.011 0.000 0.217 410 A C 2.845 180.369 177.584 -0.100 0.000 1.186 410 A CA 2.512 54.500 52.037 -0.081 0.000 0.624 410 A CB -0.921 18.030 19.000 -0.081 0.000 0.822 410 A HN 0.877 nan 8.150 nan 0.000 0.444 411 A N -0.288 122.473 122.820 -0.098 0.000 1.933 411 A HA 0.153 4.479 4.320 0.011 0.000 0.218 411 A C 2.493 180.030 177.584 -0.078 0.000 1.175 411 A CA 2.127 54.115 52.037 -0.082 0.000 0.628 411 A CB -0.978 17.982 19.000 -0.067 0.000 0.814 411 A HN 1.084 nan 8.150 nan 0.000 0.444 412 A N 0.260 123.037 122.820 -0.072 0.000 1.902 412 A HA -0.192 4.135 4.320 0.011 0.000 0.217 412 A C 1.961 179.469 177.584 -0.126 0.000 1.181 412 A CA 1.708 53.715 52.037 -0.050 0.000 0.623 412 A CB -0.585 18.455 19.000 0.066 0.000 0.818 412 A HN 0.555 nan 8.150 nan 0.000 0.443 413 N N -0.583 118.001 118.700 -0.194 0.000 2.142 413 N HA -0.145 4.602 4.740 0.011 0.000 0.186 413 N C 1.885 177.249 175.510 -0.244 0.000 1.023 413 N CA 1.469 54.302 53.050 -0.361 0.000 0.852 413 N CB -0.371 37.771 38.487 -0.575 0.000 0.998 413 N HN 0.445 nan 8.380 nan 0.000 0.424 414 R N 1.283 121.688 120.500 -0.158 0.000 2.081 414 R HA 0.013 4.359 4.340 0.011 0.000 0.235 414 R C 2.009 178.260 176.300 -0.081 0.000 1.131 414 R CA 0.939 56.977 56.100 -0.103 0.000 0.960 414 R CB -0.779 29.471 30.300 -0.082 0.000 0.856 414 R HN -0.020 nan 8.270 nan 0.000 0.436 415 V N 0.754 120.622 119.914 -0.077 0.000 2.295 415 V HA -0.202 3.924 4.120 0.011 0.000 0.246 415 V C 2.352 178.407 176.094 -0.065 0.000 1.049 415 V CA 1.933 64.200 62.300 -0.055 0.000 1.024 415 V CB -0.967 30.832 31.823 -0.040 0.000 0.648 415 V HN 0.533 nan 8.190 nan 0.000 0.447 416 A N -0.121 122.637 122.820 -0.102 0.000 1.877 416 A HA -0.218 4.108 4.320 0.011 0.000 0.216 416 A C 2.178 179.719 177.584 -0.072 0.000 1.186 416 A CA 2.198 54.168 52.037 -0.111 0.000 0.620 416 A CB -0.629 18.269 19.000 -0.170 0.000 0.822 416 A HN 0.458 nan 8.150 nan 0.000 0.443 417 L N 0.129 121.307 121.223 -0.075 0.000 1.989 417 L HA -0.185 4.162 4.340 0.011 0.000 0.211 417 L C 2.226 179.091 176.870 -0.008 0.000 1.071 417 L CA 2.584 57.408 54.840 -0.027 0.000 0.749 417 L CB -0.700 41.344 42.059 -0.025 0.000 0.890 417 L HN 0.531 nan 8.230 nan 0.000 0.431 418 E N -0.494 119.695 120.200 -0.018 0.000 2.110 418 E HA -0.201 4.155 4.350 0.011 0.000 0.193 418 E C 2.146 178.745 176.600 -0.002 0.000 0.988 418 E CA 1.043 57.439 56.400 -0.007 0.000 0.804 418 E CB -0.306 29.386 29.700 -0.014 0.000 0.745 418 E HN 0.675 nan 8.360 nan 0.000 0.458 419 A N 0.781 123.596 122.820 -0.009 0.000 1.933 419 A HA -0.191 4.135 4.320 0.011 0.000 0.218 419 A C 2.410 179.998 177.584 0.007 0.000 1.175 419 A CA 1.159 53.196 52.037 -0.001 0.000 0.628 419 A CB -0.770 18.225 19.000 -0.008 0.000 0.814 419 A HN 0.344 nan 8.150 nan 0.000 0.444 420 C N -1.427 117.877 119.300 0.008 0.000 2.446 420 C HA -0.021 4.446 4.460 0.011 0.000 0.277 420 C C 2.742 177.751 174.990 0.032 0.000 1.275 420 C CA 0.929 59.961 59.018 0.024 0.000 1.727 420 C CB -1.137 26.623 27.740 0.034 0.000 2.010 420 C HN 0.458 nan 8.230 nan 0.000 0.486 421 V N 0.750 120.683 119.914 0.030 0.000 2.307 421 V HA -0.229 3.898 4.120 0.011 0.000 0.245 421 V C 2.460 178.572 176.094 0.029 0.000 1.045 421 V CA 2.251 64.572 62.300 0.035 0.000 1.024 421 V CB -0.744 31.102 31.823 0.037 0.000 0.651 421 V HN 0.610 nan 8.190 nan 0.000 0.449 422 E N 0.213 120.426 120.200 0.021 0.000 2.085 422 E HA -0.245 4.112 4.350 0.011 0.000 0.194 422 E C 2.231 178.843 176.600 0.020 0.000 0.994 422 E CA 1.470 57.880 56.400 0.018 0.000 0.801 422 E CB -0.228 29.479 29.700 0.011 0.000 0.743 422 E HN 0.566 nan 8.360 nan 0.000 0.453 423 A N 1.578 124.411 122.820 0.022 0.000 1.902 423 A HA -0.191 4.136 4.320 0.011 0.000 0.217 423 A C 2.216 179.815 177.584 0.026 0.000 1.181 423 A CA 1.433 53.484 52.037 0.024 0.000 0.623 423 A CB -0.582 18.434 19.000 0.026 0.000 0.818 423 A HN 0.195 nan 8.150 nan 0.000 0.443 424 R N -0.084 120.434 120.500 0.030 0.000 2.083 424 R HA -0.192 4.155 4.340 0.011 0.000 0.237 424 R C 1.614 177.930 176.300 0.027 0.000 1.137 424 R CA 1.995 58.114 56.100 0.031 0.000 0.951 424 R CB -0.449 29.873 30.300 0.038 0.000 0.851 424 R HN 0.518 nan 8.270 nan 0.000 0.434 425 N N 1.037 119.753 118.700 0.026 0.000 2.223 425 N HA -0.155 4.592 4.740 0.011 0.000 0.185 425 N C 1.555 177.076 175.510 0.018 0.000 1.016 425 N CA 1.176 54.239 53.050 0.022 0.000 0.863 425 N CB -0.210 38.290 38.487 0.022 0.000 0.983 425 N HN 0.426 nan 8.380 nan 0.000 0.429 426 Q N -0.690 119.121 119.800 0.018 0.000 2.488 426 Q HA 0.123 4.470 4.340 0.011 0.000 0.211 426 Q C 0.698 176.708 176.000 0.016 0.000 0.967 426 Q CA 0.606 56.418 55.803 0.015 0.000 0.926 426 Q CB 0.181 28.928 28.738 0.016 0.000 0.992 426 Q HN 0.461 nan 8.270 nan 0.000 0.506 427 G N 1.231 110.041 108.800 0.017 0.000 2.132 427 G HA2 -0.273 3.694 3.960 0.011 0.000 0.234 427 G HA3 -0.273 3.694 3.960 0.011 0.000 0.234 427 G C -0.158 174.753 174.900 0.018 0.000 0.989 427 G CA -0.262 44.848 45.100 0.017 0.000 0.676 427 G HN 0.202 nan 8.290 nan 0.000 0.522 428 R N 0.215 120.727 120.500 0.021 0.000 2.582 428 R HA 0.393 4.739 4.340 0.011 0.000 0.271 428 R C -0.356 175.959 176.300 0.025 0.000 1.078 428 R CA -0.451 55.663 56.100 0.023 0.000 1.127 428 R CB 0.607 30.922 30.300 0.025 0.000 1.038 428 R HN 0.145 nan 8.270 nan 0.000 0.500 429 D N 3.478 123.894 120.400 0.026 0.000 2.422 429 D HA 0.019 4.665 4.640 0.011 0.000 0.227 429 D C 1.220 177.541 176.300 0.035 0.000 1.190 429 D CA -0.266 53.751 54.000 0.028 0.000 0.905 429 D CB 0.419 41.234 40.800 0.025 0.000 1.034 429 D HN 0.578 nan 8.370 nan 0.000 0.507 430 I N 0.308 120.902 120.570 0.039 0.000 2.546 430 I HA -0.071 4.105 4.170 0.011 0.000 0.255 430 I C 1.409 177.560 176.117 0.058 0.000 1.163 430 I CA 0.528 61.857 61.300 0.047 0.000 1.457 430 I CB 0.024 38.053 38.000 0.049 0.000 1.092 430 I HN 0.152 nan 8.210 nan 0.000 0.434 431 E N 1.776 122.010 120.200 0.056 0.000 2.046 431 E HA -0.207 4.149 4.350 0.011 0.000 0.190 431 E C 2.103 178.739 176.600 0.059 0.000 0.982 431 E CA 1.064 57.502 56.400 0.063 0.000 0.800 431 E CB -0.033 29.700 29.700 0.055 0.000 0.756 431 E HN 0.482 nan 8.360 nan 0.000 0.449 432 K N 0.974 121.402 120.400 0.047 0.000 2.097 432 K HA -0.159 4.167 4.320 0.011 0.000 0.206 432 K C 1.148 177.777 176.600 0.048 0.000 1.049 432 K CA 1.278 57.590 56.287 0.042 0.000 0.933 432 K CB 0.178 32.697 32.500 0.032 0.000 0.717 432 K HN 0.022 nan 8.250 nan 0.000 0.442 433 E N -1.177 119.054 120.200 0.051 0.000 2.501 433 E HA 0.066 4.423 4.350 0.011 0.000 0.200 433 E C 1.255 177.895 176.600 0.067 0.000 1.016 433 E CA -0.094 56.338 56.400 0.053 0.000 0.921 433 E CB 0.905 30.630 29.700 0.041 0.000 1.034 433 E HN 0.432 nan 8.360 nan 0.000 0.468 434 G N 2.263 111.114 108.800 0.084 0.000 2.476 434 G HA2 -0.358 3.609 3.960 0.011 0.000 0.218 434 G HA3 -0.358 3.609 3.960 0.011 0.000 0.218 434 G C 1.527 176.504 174.900 0.129 0.000 1.164 434 G CA 0.989 46.151 45.100 0.103 0.000 0.768 434 G HN 0.172 nan 8.290 nan 0.000 0.560 435 K N 0.418 120.930 120.400 0.186 0.000 2.057 435 K HA -0.118 4.208 4.320 0.011 0.000 0.207 435 K C 2.438 179.120 176.600 0.138 0.000 1.049 435 K CA 1.665 58.108 56.287 0.261 0.000 0.931 435 K CB -0.097 32.567 32.500 0.273 0.000 0.714 435 K HN 0.329 nan 8.250 nan 0.000 0.440 436 E N 0.577 120.832 120.200 0.091 0.000 2.106 436 E HA -0.128 4.229 4.350 0.011 0.000 0.192 436 E C 1.899 178.520 176.600 0.034 0.000 0.984 436 E CA 1.292 57.725 56.400 0.056 0.000 0.806 436 E CB -0.054 29.674 29.700 0.046 0.000 0.750 436 E HN 0.334 nan 8.360 nan 0.000 0.458 437 I N 0.400 120.990 120.570 0.033 0.000 2.202 437 I HA -0.252 3.924 4.170 0.011 0.000 0.242 437 I C 2.076 178.187 176.117 -0.010 0.000 1.091 437 I CA 0.975 62.286 61.300 0.017 0.000 1.368 437 I CB -0.147 37.867 38.000 0.022 0.000 1.058 437 I HN 0.093 nan 8.210 nan 0.000 0.410 438 L N -0.244 120.955 121.223 -0.039 0.000 2.056 438 L HA -0.183 4.163 4.340 0.011 0.000 0.207 438 L C 2.617 179.421 176.870 -0.110 0.000 1.078 438 L CA 1.457 56.223 54.840 -0.124 0.000 0.749 438 L CB -0.943 40.951 42.059 -0.275 0.000 0.901 438 L HN 0.235 nan 8.230 nan 0.000 0.433 439 T N 0.014 114.533 114.554 -0.058 0.000 2.720 439 T HA -0.193 4.163 4.350 0.011 0.000 0.268 439 T C 2.014 176.690 174.700 -0.040 0.000 1.037 439 T CA 1.405 63.484 62.100 -0.035 0.000 1.144 439 T CB -0.243 68.637 68.868 0.019 0.000 0.864 439 T HN 0.450 nan 8.240 nan 0.000 0.444 440 A N 1.419 124.227 122.820 -0.020 0.000 1.902 440 A HA 0.152 4.479 4.320 0.011 0.000 0.217 440 A C 2.642 180.221 177.584 -0.008 0.000 1.181 440 A CA 1.832 53.861 52.037 -0.015 0.000 0.623 440 A CB -1.093 17.920 19.000 0.021 0.000 0.818 440 A HN 0.510 nan 8.150 nan 0.000 0.443 441 A N -0.251 122.576 122.820 0.013 0.000 1.972 441 A HA 0.200 4.527 4.320 0.011 0.000 0.219 441 A C 2.394 179.982 177.584 0.007 0.000 1.169 441 A CA 1.829 53.896 52.037 0.050 0.000 0.635 441 A CB -0.846 18.160 19.000 0.009 0.000 0.810 441 A HN 1.079 nan 8.150 nan 0.000 0.446 442 A N -1.062 121.726 122.820 -0.054 0.000 2.121 442 A HA -0.098 4.229 4.320 0.011 0.000 0.218 442 A C 1.910 179.444 177.584 -0.083 0.000 1.154 442 A CA 1.363 53.360 52.037 -0.066 0.000 0.679 442 A CB -0.313 18.633 19.000 -0.089 0.000 0.795 442 A HN 0.468 nan 8.150 nan 0.000 0.458 443 Q N -0.269 119.431 119.800 -0.167 0.000 2.364 443 Q HA -0.094 4.252 4.340 0.011 0.000 0.207 443 Q C 0.828 176.607 176.000 -0.368 0.000 0.970 443 Q CA 1.137 56.768 55.803 -0.287 0.000 0.888 443 Q CB -0.306 28.196 28.738 -0.394 0.000 0.951 443 Q HN 0.854 nan 8.270 nan 0.000 0.469 444 H N -1.800 117.272 119.070 0.003 0.000 2.755 444 H HA 0.307 4.869 4.556 0.011 0.000 0.273 444 H C -0.050 175.285 175.328 0.013 0.000 1.055 444 H CA 0.055 56.107 56.048 0.007 0.000 1.191 444 H CB 1.034 30.797 29.762 0.000 0.000 1.536 444 H HN -0.053 nan 8.280 nan 0.000 0.529 445 S N 1.479 117.230 115.700 0.084 0.000 2.652 445 S HA 0.278 4.754 4.470 0.011 0.000 0.252 445 S C -2.196 172.446 174.600 0.069 0.000 1.219 445 S CA -1.308 56.936 58.200 0.072 0.000 1.151 445 S CB 1.259 64.485 63.200 0.045 0.000 1.080 445 S HN -0.161 nan 8.310 nan 0.000 0.481 446 P HA -0.106 nan 4.420 nan 0.000 0.216 446 P C 0.958 178.344 177.300 0.144 0.000 1.150 446 P CA 1.173 64.399 63.100 0.209 0.000 0.843 446 P CB 0.231 32.139 31.700 0.347 0.000 0.787 447 E N -0.758 119.552 120.200 0.184 0.000 2.058 447 E HA -0.173 4.184 4.350 0.011 0.000 0.194 447 E C 1.844 178.458 176.600 0.024 0.000 0.997 447 E CA 0.900 57.333 56.400 0.055 0.000 0.801 447 E CB -1.246 28.486 29.700 0.054 0.000 0.746 447 E HN 0.138 nan 8.360 nan 0.000 0.450 448 L N 1.046 122.265 121.223 -0.007 0.000 2.093 448 L HA -0.096 4.250 4.340 0.011 0.000 0.208 448 L C 2.007 178.807 176.870 -0.116 0.000 1.085 448 L CA 1.839 56.643 54.840 -0.059 0.000 0.755 448 L CB -0.330 41.683 42.059 -0.077 0.000 0.904 448 L HN -0.029 nan 8.230 nan 0.000 0.435 449 K N -0.363 119.978 120.400 -0.099 0.000 2.032 449 K HA -0.228 4.099 4.320 0.011 0.000 0.209 449 K C 2.234 178.735 176.600 -0.164 0.000 1.048 449 K CA 2.228 58.451 56.287 -0.107 0.000 0.927 449 K CB -0.325 32.143 32.500 -0.052 0.000 0.712 449 K HN 0.468 nan 8.250 nan 0.000 0.441 450 I N 0.203 120.608 120.570 -0.276 0.000 2.617 450 I HA -0.149 4.028 4.170 0.011 0.000 0.256 450 I C 1.987 177.796 176.117 -0.513 0.000 1.167 450 I CA 0.861 61.900 61.300 -0.436 0.000 1.469 450 I CB -0.017 37.533 38.000 -0.750 0.000 1.098 450 I HN 0.237 nan 8.210 nan 0.000 0.436 451 A N 0.677 123.245 122.820 -0.421 0.000 1.908 451 A HA -0.259 4.067 4.320 0.011 0.000 0.218 451 A C 2.282 179.811 177.584 -0.091 0.000 1.181 451 A CA 1.948 53.824 52.037 -0.269 0.000 0.627 451 A CB -0.612 18.439 19.000 0.085 0.000 0.818 451 A HN 0.456 nan 8.150 nan 0.000 0.445 452 M N -0.816 118.703 119.600 -0.134 0.000 2.108 452 M HA -0.215 4.271 4.480 0.011 0.000 0.261 452 M C 2.069 178.492 176.300 0.206 0.000 1.066 452 M CA 1.946 57.203 55.300 -0.072 0.000 1.107 452 M CB -0.500 31.941 32.600 -0.265 0.000 1.356 452 M HN 0.499 nan 8.290 nan 0.000 0.406 453 E N -0.498 119.698 120.200 -0.006 0.000 2.077 453 E HA -0.160 4.196 4.350 0.011 0.000 0.193 453 E C 1.956 178.464 176.600 -0.152 0.000 0.989 453 E CA 1.774 58.145 56.400 -0.048 0.000 0.800 453 E CB -0.209 29.415 29.700 -0.127 0.000 0.746 453 E HN 0.495 nan 8.360 nan 0.000 0.452 454 T N -0.073 114.259 114.554 -0.370 0.000 2.746 454 T HA -0.143 4.214 4.350 0.011 0.000 0.267 454 T C 0.897 175.207 174.700 -0.650 0.000 1.039 454 T CA 0.952 62.639 62.100 -0.688 0.000 1.142 454 T CB -0.076 68.013 68.868 -1.298 0.000 0.866 454 T HN 0.327 nan 8.240 nan 0.000 0.444 455 W N 1.805 123.055 121.300 -0.083 0.000 3.132 455 W HA 0.412 5.079 4.660 0.011 0.000 0.364 455 W C 0.657 177.083 176.519 -0.154 0.000 1.129 455 W CA -1.043 56.169 57.345 -0.222 0.000 1.815 455 W CB -0.237 28.881 29.460 -0.570 0.000 1.099 455 W HN 0.139 nan 8.180 nan 0.000 0.605 456 K N 2.397 122.879 120.400 0.136 0.000 2.484 456 K HA -0.030 4.297 4.320 0.011 0.000 0.280 456 K C 0.323 176.818 176.600 -0.176 0.000 1.013 456 K CA 0.429 56.608 56.287 -0.179 0.000 1.029 456 K CB 0.591 33.037 32.500 -0.090 0.000 0.902 456 K HN 0.003 nan 8.250 nan 0.000 0.481 457 E N 4.239 124.292 120.200 -0.245 0.000 2.351 457 E HA 0.014 4.370 4.350 0.011 0.000 0.266 457 E C -0.244 176.301 176.600 -0.092 0.000 1.031 457 E CA -0.300 56.040 56.400 -0.101 0.000 0.911 457 E CB 0.561 30.209 29.700 -0.087 0.000 0.986 457 E HN 0.343 nan 8.360 nan 0.000 0.446 458 I N 3.718 124.279 120.570 -0.016 0.000 2.342 458 I HA 0.140 4.316 4.170 0.011 0.000 0.291 458 I C 0.264 176.417 176.117 0.060 0.000 1.010 458 I CA -0.447 60.852 61.300 -0.001 0.000 1.308 458 I CB 0.752 38.794 38.000 0.071 0.000 1.400 458 I HN 0.325 nan 8.210 nan 0.000 0.488 459 K N 6.157 126.549 120.400 -0.014 0.000 2.307 459 K HA 0.494 4.820 4.320 0.011 0.000 0.263 459 K C -0.733 175.858 176.600 -0.014 0.000 0.973 459 K CA -0.410 55.896 56.287 0.032 0.000 0.846 459 K CB 1.560 34.050 32.500 -0.018 0.000 1.100 459 K HN 0.163 nan 8.250 nan 0.000 0.438 460 F N 0.000 119.938 119.950 -0.020 0.000 2.286 460 F HA 0.000 4.533 4.527 0.011 0.000 0.279 460 F CA 0.000 57.990 58.000 -0.016 0.000 1.383 460 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 460 F HN 0.000 nan 8.300 nan 0.000 0.574