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 1tqn_1_A DATA FIRST_RESID 28 DATA SEQUENCE HSHGLFKKLG IPGPTPLPFL GNILSYHKGF CMFDMECHKK YGKVWGFYDG DATA SEQUENCE QQPVLAITDP DMIKTVLVKE CYSVFTNRRP FGPVGFMKSA ISIAEDEEWK DATA SEQUENCE RLRSLLSPTF TSGKLKEMVP IIAQYGDVLV RNLRREAETG KPVTLKDVFG DATA SEQUENCE AYSMDVITST SFGVNIDSLN NPQDPFVENT KKLLRFDFLD PFFLSITVFP DATA SEQUENCE FLIPILEVLN ICVFPREVTN FLRKSVKRMK ESRLEDTQKH RVDFLQLMID DATA SEQUENCE SQNSXXXXSH KALSDLELVA QSIIFIFAGY ETTSSVLSFI MYELATHPDV DATA SEQUENCE QQKLQEEIDA VLPNKAPPTY DTVLQMEYLD MVVNETLRLF PIAMRLERVC DATA SEQUENCE KKDVEINGMF IPKGVVVMIP SYALHRDPKY WTEPEKFLPE RFSKKNKDNI DATA SEQUENCE DPYIYTPFGS GPRNCIGMRF ALMNMKLALI RVLQNFSFKP CKETQIPLKL DATA SEQUENCE SLGGLLQPEK PVVLKVESRD GT 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 28 H HA 0.000 nan 4.556 nan 0.000 0.296 28 H C 0.000 175.180 175.328 -0.247 0.000 0.993 28 H CA 0.000 55.807 56.048 -0.401 0.000 1.023 28 H CB 0.000 29.582 29.762 -0.301 0.000 1.292 29 S N 0.378 115.920 115.700 -0.264 0.000 2.568 29 S HA 0.053 4.530 4.470 0.013 0.000 0.232 29 S C 0.916 175.435 174.600 -0.136 0.000 0.975 29 S CA -0.270 57.870 58.200 -0.100 0.000 0.949 29 S CB -0.331 62.861 63.200 -0.013 0.000 0.829 29 S HN 0.708 nan 8.310 nan 0.000 0.479 30 H N 0.755 119.466 119.070 -0.597 0.000 2.568 30 H HA 0.104 4.667 4.556 0.012 0.000 0.275 30 H C 1.758 176.812 175.328 -0.457 0.000 1.028 30 H CA 0.315 55.755 56.048 -1.013 0.000 1.173 30 H CB 0.113 29.202 29.762 -1.122 0.000 1.335 30 H HN 0.634 nan 8.280 nan 0.000 0.614 31 G N -0.008 108.747 108.800 -0.074 0.000 3.062 31 G HA2 -0.053 3.914 3.960 0.013 0.000 0.228 31 G HA3 -0.053 3.914 3.960 0.013 0.000 0.228 31 G C 1.392 176.333 174.900 0.067 0.000 1.094 31 G CA -0.179 44.938 45.100 0.027 0.000 0.782 31 G HN 0.193 nan 8.290 nan 0.000 0.541 32 L N 0.421 121.669 121.223 0.040 0.000 1.971 32 L HA 0.028 4.375 4.340 0.013 0.000 0.215 32 L C 2.399 179.244 176.870 -0.041 0.000 1.072 32 L CA 1.987 56.787 54.840 -0.066 0.000 0.758 32 L CB -0.872 41.030 42.059 -0.262 0.000 0.889 32 L HN 0.251 nan 8.230 nan 0.000 0.433 33 F N 0.365 120.438 119.950 0.205 0.000 2.134 33 F HA -0.236 4.298 4.527 0.012 0.000 0.299 33 F C 2.437 178.292 175.800 0.091 0.000 1.097 33 F CA 1.568 59.629 58.000 0.102 0.000 1.264 33 F CB -0.436 38.592 39.000 0.047 0.000 1.001 33 F HN 0.226 nan 8.300 nan 0.000 0.479 34 K N 0.839 121.397 120.400 0.264 0.000 2.217 34 K HA -0.150 4.177 4.320 0.013 0.000 0.202 34 K C 1.857 178.535 176.600 0.129 0.000 1.051 34 K CA 1.212 57.601 56.287 0.170 0.000 0.952 34 K CB -0.419 32.160 32.500 0.132 0.000 0.736 34 K HN 0.183 nan 8.250 nan 0.000 0.453 35 K N 1.386 121.856 120.400 0.117 0.000 2.147 35 K HA -0.050 4.277 4.320 0.013 0.000 0.205 35 K C 1.544 178.202 176.600 0.097 0.000 1.049 35 K CA 0.951 57.289 56.287 0.085 0.000 0.936 35 K CB 0.006 32.544 32.500 0.064 0.000 0.722 35 K HN 0.213 nan 8.250 nan 0.000 0.446 36 L N -0.492 120.815 121.223 0.139 0.000 2.607 36 L HA 0.220 4.568 4.340 0.013 0.000 0.228 36 L C 0.951 177.908 176.870 0.145 0.000 1.123 36 L CA 0.267 55.202 54.840 0.159 0.000 0.890 36 L CB 0.522 42.716 42.059 0.226 0.000 1.103 36 L HN 0.429 nan 8.230 nan 0.000 0.468 37 G N 1.176 110.055 108.800 0.132 0.000 2.168 37 G HA2 -0.301 3.667 3.960 0.013 0.000 0.257 37 G HA3 -0.301 3.667 3.960 0.013 0.000 0.257 37 G C 0.203 175.170 174.900 0.112 0.000 0.997 37 G CA -0.005 45.160 45.100 0.109 0.000 0.708 37 G HN 0.328 nan 8.290 nan 0.000 0.520 38 I N 2.787 123.445 120.570 0.147 0.000 2.342 38 I HA 0.282 4.459 4.170 0.013 0.000 0.291 38 I C -0.929 175.209 176.117 0.035 0.000 1.010 38 I CA -2.248 59.105 61.300 0.090 0.000 1.308 38 I CB 1.296 39.355 38.000 0.099 0.000 1.400 38 I HN -0.009 nan 8.210 nan 0.000 0.488 39 P HA 0.416 nan 4.420 nan 0.000 0.275 39 P C -0.213 176.879 177.300 -0.347 0.000 1.266 39 P CA 0.023 63.062 63.100 -0.101 0.000 0.793 39 P CB 1.261 32.965 31.700 0.007 0.000 1.074 40 G N -0.860 107.505 108.800 -0.725 0.000 2.350 40 G HA2 0.247 4.215 3.960 0.013 0.000 0.304 40 G HA3 0.247 4.215 3.960 0.013 0.000 0.304 40 G C -3.321 171.264 174.900 -0.526 0.000 1.421 40 G CA -0.878 43.668 45.100 -0.922 0.000 0.934 40 G HN 0.514 nan 8.290 nan 0.000 0.632 41 P HA 0.293 nan 4.420 nan 0.000 0.271 41 P C 0.148 177.530 177.300 0.138 0.000 1.216 41 P CA 0.241 63.419 63.100 0.130 0.000 0.776 41 P CB 0.614 32.471 31.700 0.262 0.000 0.881 42 T N 5.347 119.973 114.554 0.120 0.000 2.799 42 T HA 0.212 4.569 4.350 0.013 0.000 0.296 42 T C -1.698 173.034 174.700 0.054 0.000 0.947 42 T CA -0.684 61.470 62.100 0.090 0.000 1.141 42 T CB -0.361 68.551 68.868 0.074 0.000 0.891 42 T HN 0.427 nan 8.240 nan 0.000 0.533 43 P HA 0.324 nan 4.420 nan 0.000 0.277 43 P C -0.638 176.592 177.300 -0.117 0.000 1.240 43 P CA -0.561 62.426 63.100 -0.189 0.000 0.798 43 P CB 0.945 32.193 31.700 -0.752 0.000 0.979 44 L N 3.036 124.240 121.223 -0.030 0.000 2.343 44 L HA 0.422 4.770 4.340 0.013 0.000 0.275 44 L C -2.125 174.859 176.870 0.190 0.000 1.056 44 L CA -2.640 52.253 54.840 0.087 0.000 0.804 44 L CB 0.951 43.072 42.059 0.103 0.000 1.203 44 L HN 0.173 nan 8.230 nan 0.000 0.440 45 P HA 0.034 nan 4.420 nan 0.000 0.265 45 P C -0.091 177.386 177.300 0.295 0.000 1.187 45 P CA 0.338 63.568 63.100 0.217 0.000 0.766 45 P CB 0.217 32.006 31.700 0.148 0.000 0.820 46 F N -0.690 119.389 119.950 0.214 0.000 2.571 46 F HA -0.328 4.207 4.527 0.013 0.000 0.671 46 F C 1.508 177.407 175.800 0.165 0.000 0.488 46 F CA 1.118 59.218 58.000 0.167 0.000 0.731 46 F CB -1.911 37.181 39.000 0.153 0.000 1.619 46 F HN 0.199 nan 8.300 nan 0.000 0.262 47 L N 0.076 121.511 121.223 0.352 0.000 2.217 47 L HA 0.262 4.610 4.340 0.013 0.000 0.211 47 L C 2.057 179.029 176.870 0.170 0.000 1.107 47 L CA 1.960 56.921 54.840 0.202 0.000 0.783 47 L CB -1.311 40.830 42.059 0.138 0.000 0.919 47 L HN 0.684 nan 8.230 nan 0.000 0.442 48 G N 0.210 109.117 108.800 0.179 0.000 2.556 48 G HA2 -0.426 3.542 3.960 0.013 0.000 0.283 48 G HA3 -0.426 3.542 3.960 0.013 0.000 0.283 48 G C 0.579 175.481 174.900 0.004 0.000 1.177 48 G CA 0.529 45.624 45.100 -0.010 0.000 0.978 48 G HN 0.404 nan 8.290 nan 0.000 0.554 49 N N 1.360 120.088 118.700 0.045 0.000 2.238 49 N HA 0.358 5.106 4.740 0.013 0.000 0.222 49 N C 1.916 177.224 175.510 -0.337 0.000 1.133 49 N CA 0.537 53.541 53.050 -0.077 0.000 0.854 49 N CB 0.131 38.629 38.487 0.017 0.000 1.041 49 N HN 0.712 nan 8.380 nan 0.000 0.510 50 I N -2.256 118.194 120.570 -0.199 0.000 2.614 50 I HA -0.135 4.043 4.170 0.013 0.000 0.258 50 I C 1.170 177.167 176.117 -0.200 0.000 1.189 50 I CA 1.142 62.292 61.300 -0.251 0.000 1.462 50 I CB -0.207 37.827 38.000 0.056 0.000 1.092 50 I HN 0.097 nan 8.210 nan 0.000 0.442 51 L N 0.839 121.994 121.223 -0.114 0.000 2.362 51 L HA -0.051 4.297 4.340 0.013 0.000 0.219 51 L C 2.244 179.121 176.870 0.012 0.000 1.134 51 L CA 0.650 55.474 54.840 -0.028 0.000 0.807 51 L CB -0.540 41.515 42.059 -0.006 0.000 0.927 51 L HN 0.243 nan 8.230 nan 0.000 0.447 52 S N -1.378 114.208 115.700 -0.189 0.000 2.607 52 S HA -0.028 4.450 4.470 0.013 0.000 0.224 52 S C 1.252 175.663 174.600 -0.314 0.000 0.969 52 S CA 0.299 58.412 58.200 -0.144 0.000 0.927 52 S CB -0.210 62.866 63.200 -0.206 0.000 0.772 52 S HN 0.444 nan 8.310 nan 0.000 0.533 53 Y N 1.283 121.397 120.300 -0.309 0.000 2.461 53 Y HA 0.033 4.590 4.550 0.012 0.000 0.277 53 Y C 2.254 177.979 175.900 -0.292 0.000 1.182 53 Y CA -0.276 57.586 58.100 -0.397 0.000 1.276 53 Y CB -0.131 38.055 38.460 -0.458 0.000 1.087 53 Y HN 0.515 nan 8.280 nan 0.000 0.519 54 H N -0.525 118.532 119.070 -0.022 0.000 2.518 54 H HA -0.063 4.501 4.556 0.013 0.000 0.289 54 H C 0.750 176.061 175.328 -0.028 0.000 1.051 54 H CA 0.990 57.021 56.048 -0.028 0.000 1.280 54 H CB 0.002 29.750 29.762 -0.023 0.000 1.380 54 H HN 0.314 nan 8.280 nan 0.000 0.566 55 K N 0.407 120.539 120.400 -0.446 0.000 2.414 55 K HA 0.283 4.611 4.320 0.013 0.000 0.204 55 K C 0.090 176.587 176.600 -0.173 0.000 1.026 55 K CA 0.324 56.457 56.287 -0.257 0.000 1.108 55 K CB 1.293 33.623 32.500 -0.284 0.000 0.855 55 K HN 0.505 nan 8.250 nan 0.000 0.517 56 G N 0.352 109.032 108.800 -0.200 0.000 2.619 56 G HA2 -0.235 3.733 3.960 0.013 0.000 0.686 56 G HA3 -0.235 3.733 3.960 0.013 0.000 0.686 56 G C 0.084 174.881 174.900 -0.172 0.000 1.256 56 G CA -0.902 44.046 45.100 -0.254 0.000 0.826 56 G HN 0.054 nan 8.290 nan 0.000 0.619 57 F N 0.198 120.080 119.950 -0.113 0.000 2.102 57 F HA -0.115 4.420 4.527 0.014 0.000 0.298 57 F C 3.243 179.083 175.800 0.067 0.000 1.105 57 F CA 2.165 60.147 58.000 -0.030 0.000 1.239 57 F CB -0.580 38.338 39.000 -0.137 0.000 0.991 57 F HN 0.563 nan 8.300 nan 0.000 0.474 58 C N -0.105 119.249 119.300 0.089 0.000 2.425 58 C HA -0.192 4.276 4.460 0.013 0.000 0.277 58 C C 2.809 177.827 174.990 0.048 0.000 1.280 58 C CA 0.656 59.633 59.018 -0.068 0.000 1.744 58 C CB -0.894 26.390 27.740 -0.761 0.000 1.989 58 C HN 0.428 nan 8.230 nan 0.000 0.491 59 M N -0.102 119.509 119.600 0.019 0.000 2.200 59 M HA -0.021 4.467 4.480 0.013 0.000 0.265 59 M C 2.009 178.357 176.300 0.079 0.000 1.066 59 M CA 1.337 56.660 55.300 0.037 0.000 1.127 59 M CB -1.570 31.018 32.600 -0.019 0.000 1.379 59 M HN 0.461 nan 8.290 nan 0.000 0.420 60 F N 2.177 122.114 119.950 -0.021 0.000 2.134 60 F HA -0.214 4.320 4.527 0.012 0.000 0.299 60 F C 1.768 177.558 175.800 -0.017 0.000 1.097 60 F CA 1.739 59.717 58.000 -0.036 0.000 1.264 60 F CB -0.376 38.642 39.000 0.029 0.000 1.001 60 F HN 0.158 nan 8.300 nan 0.000 0.479 61 D N -0.061 120.357 120.400 0.031 0.000 2.178 61 D HA -0.161 4.486 4.640 0.013 0.000 0.202 61 D C 2.395 178.677 176.300 -0.030 0.000 0.974 61 D CA 1.280 55.290 54.000 0.016 0.000 0.841 61 D CB -0.251 40.695 40.800 0.244 0.000 0.953 61 D HN 0.335 nan 8.370 nan 0.000 0.478 62 M N 0.234 119.847 119.600 0.021 0.000 2.156 62 M HA -0.068 4.419 4.480 0.013 0.000 0.264 62 M C 1.914 178.145 176.300 -0.115 0.000 1.067 62 M CA 1.115 56.437 55.300 0.036 0.000 1.131 62 M CB -0.456 32.200 32.600 0.093 0.000 1.368 62 M HN 0.037 nan 8.290 nan 0.000 0.416 63 E N -0.132 119.953 120.200 -0.192 0.000 2.150 63 E HA -0.148 4.210 4.350 0.013 0.000 0.193 63 E C 2.131 178.433 176.600 -0.497 0.000 0.985 63 E CA 1.098 57.332 56.400 -0.276 0.000 0.814 63 E CB -0.096 29.481 29.700 -0.204 0.000 0.752 63 E HN 0.497 nan 8.360 nan 0.000 0.466 64 C N 0.122 118.997 119.300 -0.708 0.000 2.466 64 C HA -0.089 4.378 4.460 0.013 0.000 0.278 64 C C 2.529 176.760 174.990 -1.265 0.000 1.288 64 C CA 0.513 58.893 59.018 -1.064 0.000 1.722 64 C CB -1.056 25.747 27.740 -1.562 0.000 2.017 64 C HN 0.544 nan 8.230 nan 0.000 0.488 65 H N 1.111 119.447 119.070 -1.223 0.000 2.319 65 H HA -0.193 4.371 4.556 0.013 0.000 0.299 65 H C 2.477 177.557 175.328 -0.413 0.000 1.092 65 H CA 1.775 57.363 56.048 -0.767 0.000 1.302 65 H CB -0.132 29.539 29.762 -0.151 0.000 1.373 65 H HN 0.401 nan 8.280 nan 0.000 0.497 66 K N 1.299 121.493 120.400 -0.345 0.000 2.009 66 K HA -0.171 4.157 4.320 0.013 0.000 0.210 66 K C 2.134 178.508 176.600 -0.377 0.000 1.049 66 K CA 2.194 58.278 56.287 -0.338 0.000 0.929 66 K CB -0.086 32.261 32.500 -0.256 0.000 0.714 66 K HN 0.475 nan 8.250 nan 0.000 0.440 67 K N -1.519 118.548 120.400 -0.554 0.000 2.361 67 K HA -0.051 4.277 4.320 0.013 0.000 0.196 67 K C 1.358 177.561 176.600 -0.662 0.000 1.039 67 K CA 0.823 56.718 56.287 -0.653 0.000 1.001 67 K CB -0.021 31.976 32.500 -0.839 0.000 0.795 67 K HN 0.233 nan 8.250 nan 0.000 0.495 68 Y N 0.802 120.956 120.300 -0.243 0.000 2.462 68 Y HA 0.243 4.801 4.550 0.013 0.000 0.253 68 Y C 1.286 177.206 175.900 0.032 0.000 1.095 68 Y CA -0.134 57.905 58.100 -0.103 0.000 1.283 68 Y CB 1.294 39.687 38.460 -0.111 0.000 1.138 68 Y HN 0.346 nan 8.280 nan 0.000 0.522 69 G N 1.374 110.258 108.800 0.140 0.000 2.445 69 G HA2 -0.320 3.648 3.960 0.013 0.000 0.212 69 G HA3 -0.320 3.648 3.960 0.013 0.000 0.212 69 G C 0.461 175.624 174.900 0.439 0.000 1.217 69 G CA -0.084 45.135 45.100 0.198 0.000 1.002 69 G HN 0.257 nan 8.290 nan 0.000 0.574 70 K N -0.728 119.873 120.400 0.336 0.000 2.288 70 K HA 0.486 4.813 4.320 0.013 0.000 0.201 70 K C 0.752 177.504 176.600 0.253 0.000 1.048 70 K CA 1.609 58.093 56.287 0.328 0.000 0.956 70 K CB 0.285 32.893 32.500 0.179 0.000 0.746 70 K HN 0.977 nan 8.250 nan 0.000 0.461 71 V N 0.745 120.820 119.914 0.269 0.000 2.932 71 V HA 0.583 4.710 4.120 0.013 0.000 0.307 71 V C -1.887 174.327 176.094 0.200 0.000 1.147 71 V CA -0.738 61.585 62.300 0.039 0.000 0.951 71 V CB 1.601 33.400 31.823 -0.041 0.000 1.031 71 V HN 0.535 nan 8.190 nan 0.000 0.426 72 W N 2.414 123.635 121.300 -0.133 0.000 3.066 72 W HA 0.882 5.551 4.660 0.015 0.000 0.330 72 W C -0.511 175.715 176.519 -0.488 0.000 1.253 72 W CA -0.777 56.412 57.345 -0.259 0.000 1.187 72 W CB 1.194 30.572 29.460 -0.137 0.000 1.434 72 W HN 0.869 nan 8.180 nan 0.000 0.572 73 G N 1.032 109.498 108.800 -0.558 0.000 2.563 73 G HA2 0.855 4.823 3.960 0.013 0.000 0.302 73 G HA3 0.855 4.823 3.960 0.013 0.000 0.302 73 G C -1.904 172.690 174.900 -0.510 0.000 1.301 73 G CA -0.889 43.367 45.100 -1.408 0.000 0.965 73 G HN 1.176 nan 8.290 nan 0.000 0.480 74 F N -0.966 118.743 119.950 -0.401 0.000 2.745 74 F HA 0.790 5.325 4.527 0.014 0.000 0.316 74 F C -2.215 173.499 175.800 -0.144 0.000 1.155 74 F CA -2.166 55.812 58.000 -0.037 0.000 0.937 74 F CB 1.399 40.567 39.000 0.281 0.000 1.361 74 F HN 0.398 nan 8.300 nan 0.000 0.472 75 Y N 0.252 120.738 120.300 0.309 0.000 2.338 75 Y HA 0.402 4.960 4.550 0.013 0.000 0.333 75 Y C -1.016 175.013 175.900 0.214 0.000 0.968 75 Y CA -1.078 57.112 58.100 0.151 0.000 1.123 75 Y CB 1.475 39.925 38.460 -0.018 0.000 1.165 75 Y HN 0.452 nan 8.280 nan 0.000 0.452 76 D N 3.485 124.085 120.400 0.332 0.000 2.468 76 D HA 0.383 5.031 4.640 0.013 0.000 0.218 76 D C 0.937 177.391 176.300 0.257 0.000 1.155 76 D CA 0.906 55.097 54.000 0.320 0.000 0.924 76 D CB 0.819 41.815 40.800 0.326 0.000 1.029 76 D HN 0.900 nan 8.370 nan 0.000 0.515 77 G N 3.009 111.960 108.800 0.252 0.000 2.557 77 G HA2 -0.333 3.634 3.960 0.013 0.000 0.292 77 G HA3 -0.333 3.634 3.960 0.013 0.000 0.292 77 G C 0.751 175.866 174.900 0.358 0.000 1.162 77 G CA -0.168 45.080 45.100 0.247 0.000 0.964 77 G HN 0.427 nan 8.290 nan 0.000 0.541 78 Q N 0.467 120.424 119.800 0.260 0.000 2.319 78 Q HA 0.206 4.554 4.340 0.013 0.000 0.209 78 Q C 1.287 177.446 176.000 0.265 0.000 0.884 78 Q CA 0.649 56.584 55.803 0.220 0.000 0.938 78 Q CB 0.752 29.531 28.738 0.068 0.000 1.098 78 Q HN 0.618 nan 8.270 nan 0.000 0.517 79 Q N 2.705 122.643 119.800 0.230 0.000 2.307 79 Q HA 0.165 4.512 4.340 0.013 0.000 0.261 79 Q C -2.486 173.580 176.000 0.110 0.000 1.051 79 Q CA -1.877 54.011 55.803 0.143 0.000 0.911 79 Q CB 1.005 29.797 28.738 0.091 0.000 1.227 79 Q HN -0.092 nan 8.270 nan 0.000 0.418 80 P HA 0.099 nan 4.420 nan 0.000 0.276 80 P C -1.223 175.960 177.300 -0.194 0.000 1.235 80 P CA -0.185 62.761 63.100 -0.258 0.000 0.772 80 P CB 1.021 32.471 31.700 -0.417 0.000 0.871 81 V N 4.861 124.572 119.914 -0.337 0.000 2.531 81 V HA 0.347 4.474 4.120 0.013 0.000 0.301 81 V C -0.336 175.394 176.094 -0.607 0.000 1.034 81 V CA -0.673 61.298 62.300 -0.548 0.000 0.865 81 V CB 1.836 32.999 31.823 -1.100 0.000 0.995 81 V HN 0.334 nan 8.190 nan 0.000 0.424 82 L N 5.152 126.153 121.223 -0.370 0.000 2.295 82 L HA 0.865 5.212 4.340 0.013 0.000 0.281 82 L C 0.410 176.979 176.870 -0.502 0.000 1.018 82 L CA -0.139 54.416 54.840 -0.476 0.000 0.841 82 L CB 0.931 42.870 42.059 -0.200 0.000 1.218 82 L HN 0.763 nan 8.230 nan 0.000 0.424 83 A N 6.624 129.005 122.820 -0.732 0.000 2.401 83 A HA 0.644 4.971 4.320 0.013 0.000 0.259 83 A C -0.186 176.911 177.584 -0.811 0.000 1.103 83 A CA -0.320 51.191 52.037 -0.876 0.000 0.789 83 A CB -0.070 17.907 19.000 -1.706 0.000 1.035 83 A HN 0.861 nan 8.150 nan 0.000 0.491 84 I N -0.497 119.739 120.570 -0.557 0.000 2.689 84 I HA 0.749 4.926 4.170 0.013 0.000 0.299 84 I C 0.418 176.365 176.117 -0.285 0.000 1.059 84 I CA -0.377 60.697 61.300 -0.378 0.000 1.055 84 I CB 2.566 40.401 38.000 -0.274 0.000 1.243 84 I HN 0.530 nan 8.210 nan 0.000 0.425 85 T N -1.363 113.103 114.554 -0.146 0.000 3.016 85 T HA 0.187 4.545 4.350 0.013 0.000 0.271 85 T C 0.181 174.912 174.700 0.053 0.000 0.968 85 T CA 0.003 62.083 62.100 -0.032 0.000 0.891 85 T CB -0.385 68.529 68.868 0.076 0.000 1.149 85 T HN 0.721 nan 8.240 nan 0.000 0.524 86 D N 3.169 123.582 120.400 0.022 0.000 2.371 86 D HA 0.273 4.921 4.640 0.013 0.000 0.256 86 D C -1.457 174.851 176.300 0.014 0.000 1.193 86 D CA -1.957 52.069 54.000 0.043 0.000 0.881 86 D CB 1.485 42.293 40.800 0.013 0.000 1.143 86 D HN -0.027 nan 8.370 nan 0.000 0.473 87 P HA -0.180 nan 4.420 nan 0.000 0.216 87 P C 0.567 177.824 177.300 -0.071 0.000 1.154 87 P CA 1.019 64.149 63.100 0.050 0.000 0.865 87 P CB 0.216 31.981 31.700 0.109 0.000 0.789 88 D N -1.514 118.843 120.400 -0.072 0.000 2.149 88 D HA -0.104 4.544 4.640 0.013 0.000 0.201 88 D C 1.891 178.086 176.300 -0.174 0.000 0.972 88 D CA 0.995 54.913 54.000 -0.137 0.000 0.835 88 D CB -0.473 40.283 40.800 -0.073 0.000 0.966 88 D HN 0.181 nan 8.370 nan 0.000 0.476 89 M N 0.486 120.008 119.600 -0.131 0.000 2.117 89 M HA -0.132 4.355 4.480 0.013 0.000 0.262 89 M C 2.114 178.280 176.300 -0.224 0.000 1.065 89 M CA 1.182 56.389 55.300 -0.155 0.000 1.114 89 M CB 0.048 32.572 32.600 -0.127 0.000 1.361 89 M HN -0.076 nan 8.290 nan 0.000 0.408 90 I N -0.072 120.376 120.570 -0.203 0.000 2.226 90 I HA -0.337 3.841 4.170 0.013 0.000 0.245 90 I C 2.459 178.409 176.117 -0.279 0.000 1.100 90 I CA 1.376 62.558 61.300 -0.197 0.000 1.374 90 I CB -0.538 37.426 38.000 -0.059 0.000 1.057 90 I HN 0.347 nan 8.210 nan 0.000 0.413 91 K N 0.615 120.704 120.400 -0.518 0.000 2.097 91 K HA -0.156 4.171 4.320 0.013 0.000 0.205 91 K C 2.051 178.436 176.600 -0.358 0.000 1.050 91 K CA 1.759 57.578 56.287 -0.780 0.000 0.938 91 K CB -0.040 31.764 32.500 -1.161 0.000 0.718 91 K HN 0.219 nan 8.250 nan 0.000 0.442 92 T N 0.727 115.117 114.554 -0.273 0.000 2.708 92 T HA -0.123 4.234 4.350 0.013 0.000 0.266 92 T C 1.864 176.472 174.700 -0.153 0.000 1.037 92 T CA 1.491 63.496 62.100 -0.158 0.000 1.146 92 T CB -0.145 68.650 68.868 -0.122 0.000 0.865 92 T HN 0.000 nan 8.240 nan 0.000 0.435 93 V N 1.324 121.045 119.914 -0.321 0.000 2.270 93 V HA -0.058 4.069 4.120 0.013 0.000 0.245 93 V C 2.458 178.397 176.094 -0.258 0.000 1.043 93 V CA 1.509 63.476 62.300 -0.556 0.000 1.014 93 V CB -0.553 30.756 31.823 -0.856 0.000 0.645 93 V HN 0.427 nan 8.190 nan 0.000 0.447 94 L N -1.028 120.080 121.223 -0.192 0.000 2.179 94 L HA -0.044 4.304 4.340 0.013 0.000 0.208 94 L C 1.987 178.830 176.870 -0.045 0.000 1.096 94 L CA 0.755 55.541 54.840 -0.088 0.000 0.779 94 L CB -0.403 41.655 42.059 -0.000 0.000 0.922 94 L HN 0.214 nan 8.230 nan 0.000 0.443 95 V N -1.010 118.874 119.914 -0.049 0.000 3.050 95 V HA -0.015 4.112 4.120 0.013 0.000 0.223 95 V C 2.128 178.211 176.094 -0.019 0.000 1.162 95 V CA 0.315 62.606 62.300 -0.016 0.000 1.247 95 V CB -0.358 31.479 31.823 0.023 0.000 1.125 95 V HN 0.149 nan 8.190 nan 0.000 0.508 96 K N 0.752 121.137 120.400 -0.025 0.000 2.034 96 K HA -0.183 4.145 4.320 0.013 0.000 0.214 96 K C 1.077 177.712 176.600 0.059 0.000 1.051 96 K CA 1.708 58.004 56.287 0.015 0.000 0.931 96 K CB -0.126 32.369 32.500 -0.009 0.000 0.715 96 K HN 0.355 nan 8.250 nan 0.000 0.446 97 E N 0.295 120.546 120.200 0.085 0.000 2.723 97 E HA 0.032 4.389 4.350 0.013 0.000 0.219 97 E C 0.628 177.325 176.600 0.162 0.000 1.060 97 E CA -0.086 56.407 56.400 0.154 0.000 1.291 97 E CB 0.205 30.058 29.700 0.256 0.000 1.265 97 E HN 0.265 nan 8.360 nan 0.000 0.438 98 C N -0.624 118.692 119.300 0.026 0.000 2.508 98 C HA -0.112 4.356 4.460 0.013 0.000 0.280 98 C C 2.202 177.153 174.990 -0.065 0.000 1.262 98 C CA 0.742 59.705 59.018 -0.093 0.000 1.706 98 C CB -0.770 26.776 27.740 -0.324 0.000 2.078 98 C HN 0.584 nan 8.230 nan 0.000 0.480 99 Y N 1.905 122.280 120.300 0.126 0.000 2.293 99 Y HA -0.148 4.412 4.550 0.018 0.000 0.291 99 Y C 2.949 178.892 175.900 0.071 0.000 1.137 99 Y CA 1.572 59.754 58.100 0.137 0.000 1.202 99 Y CB -0.179 38.370 38.460 0.149 0.000 0.990 99 Y HN 0.548 nan 8.280 nan 0.000 0.537 100 S N -1.356 114.455 115.700 0.186 0.000 2.356 100 S HA -0.054 4.423 4.470 0.013 0.000 0.219 100 S C 1.690 176.264 174.600 -0.043 0.000 1.036 100 S CA 1.135 59.380 58.200 0.075 0.000 0.965 100 S CB -0.651 62.587 63.200 0.063 0.000 0.864 100 S HN 0.143 nan 8.310 nan 0.000 0.471 101 V N -0.743 119.090 119.914 -0.135 0.000 2.996 101 V HA 0.390 4.518 4.120 0.013 0.000 0.235 101 V C 0.075 175.798 176.094 -0.619 0.000 1.205 101 V CA 0.257 62.291 62.300 -0.444 0.000 1.225 101 V CB -0.343 31.049 31.823 -0.719 0.000 0.995 101 V HN 0.458 nan 8.190 nan 0.000 0.484 102 F N 1.248 121.153 119.950 -0.076 0.000 2.578 102 F HA 0.333 4.871 4.527 0.018 0.000 0.314 102 F C 1.449 177.156 175.800 -0.155 0.000 1.225 102 F CA -0.122 57.810 58.000 -0.114 0.000 1.215 102 F CB 0.099 39.025 39.000 -0.123 0.000 1.448 102 F HN -0.069 nan 8.300 nan 0.000 0.548 103 T N -1.346 113.174 114.554 -0.056 0.000 2.978 103 T HA 0.043 4.401 4.350 0.013 0.000 0.262 103 T C 0.795 175.348 174.700 -0.245 0.000 1.063 103 T CA 0.678 62.694 62.100 -0.141 0.000 1.140 103 T CB -0.050 68.800 68.868 -0.030 0.000 0.886 103 T HN 0.165 nan 8.240 nan 0.000 0.470 104 N N 1.131 119.742 118.700 -0.147 0.000 2.402 104 N HA 0.418 5.165 4.740 0.013 0.000 0.294 104 N C -0.406 175.036 175.510 -0.114 0.000 1.203 104 N CA -0.686 52.270 53.050 -0.156 0.000 0.838 104 N CB 1.671 40.107 38.487 -0.084 0.000 1.306 104 N HN 0.105 nan 8.380 nan 0.000 0.510 105 R N 0.362 120.798 120.500 -0.107 0.000 2.583 105 R HA 0.294 4.641 4.340 0.013 0.000 0.268 105 R C 0.578 176.858 176.300 -0.035 0.000 1.101 105 R CA -0.635 55.419 56.100 -0.077 0.000 1.180 105 R CB 0.971 31.235 30.300 -0.060 0.000 1.128 105 R HN 0.621 nan 8.270 nan 0.000 0.568 106 R N 0.796 121.272 120.500 -0.041 0.000 2.539 106 R HA 0.293 4.641 4.340 0.013 0.000 0.275 106 R C -2.326 174.010 176.300 0.060 0.000 1.077 106 R CA -1.391 54.700 56.100 -0.016 0.000 1.097 106 R CB -0.108 30.162 30.300 -0.051 0.000 1.018 106 R HN 0.240 nan 8.270 nan 0.000 0.483 107 P HA 0.008 nan 4.420 nan 0.000 0.269 107 P C -0.745 176.623 177.300 0.114 0.000 1.215 107 P CA -0.226 62.900 63.100 0.043 0.000 0.780 107 P CB 0.189 31.882 31.700 -0.011 0.000 0.898 108 F N -1.046 118.903 119.950 -0.002 0.000 2.880 108 F HA 0.651 5.185 4.527 0.011 0.000 0.346 108 F C 0.552 176.455 175.800 0.171 0.000 1.054 108 F CA 0.155 58.163 58.000 0.014 0.000 1.151 108 F CB 0.328 39.279 39.000 -0.082 0.000 1.066 108 F HN 0.496 nan 8.300 nan 0.000 0.566 109 G N 0.648 109.346 108.800 -0.169 0.000 2.324 109 G HA2 0.345 4.312 3.960 0.013 0.000 0.293 109 G HA3 0.345 4.312 3.960 0.013 0.000 0.293 109 G C -3.355 171.447 174.900 -0.163 0.000 1.297 109 G CA -0.861 44.230 45.100 -0.016 0.000 0.853 109 G HN -0.114 nan 8.290 nan 0.000 0.535 110 P HA 0.292 nan 4.420 nan 0.000 0.271 110 P C 0.340 177.598 177.300 -0.071 0.000 1.233 110 P CA 0.104 63.178 63.100 -0.044 0.000 0.764 110 P CB 1.834 33.550 31.700 0.028 0.000 0.825 111 V N 2.924 122.784 119.914 -0.090 0.000 3.604 111 V HA 0.290 4.417 4.120 0.013 0.000 0.277 111 V C 1.134 177.211 176.094 -0.027 0.000 1.399 111 V CA 1.256 63.533 62.300 -0.037 0.000 1.034 111 V CB -0.481 31.261 31.823 -0.135 0.000 0.824 111 V HN 0.894 nan 8.190 nan 0.000 0.439 112 G N 1.649 110.443 108.800 -0.009 0.000 2.594 112 G HA2 -0.440 3.528 3.960 0.013 0.000 0.297 112 G HA3 -0.440 3.528 3.960 0.013 0.000 0.297 112 G C 0.529 175.434 174.900 0.008 0.000 1.273 112 G CA 1.081 46.202 45.100 0.034 0.000 0.974 112 G HN 1.255 nan 8.290 nan 0.000 0.552 113 F N -0.784 119.157 119.950 -0.016 0.000 2.408 113 F HA 0.218 4.752 4.527 0.012 0.000 0.300 113 F C 2.500 178.260 175.800 -0.067 0.000 1.090 113 F CA 1.926 59.903 58.000 -0.038 0.000 1.427 113 F CB -0.250 38.723 39.000 -0.045 0.000 1.070 113 F HN 0.163 nan 8.300 nan 0.000 0.549 114 M N 2.264 121.274 119.600 -0.983 0.000 2.632 114 M HA -0.112 4.375 4.480 0.013 0.000 0.256 114 M C 2.042 178.143 176.300 -0.332 0.000 1.080 114 M CA 1.046 55.835 55.300 -0.852 0.000 1.084 114 M CB -1.086 30.944 32.600 -0.950 0.000 1.439 114 M HN 0.505 nan 8.290 nan 0.000 0.509 115 K N -0.148 120.140 120.400 -0.187 0.000 2.286 115 K HA -0.121 4.207 4.320 0.013 0.000 0.203 115 K C 1.501 178.080 176.600 -0.035 0.000 1.045 115 K CA 1.861 58.105 56.287 -0.072 0.000 0.935 115 K CB -0.618 31.862 32.500 -0.034 0.000 0.737 115 K HN 0.339 nan 8.250 nan 0.000 0.460 116 S N 0.094 115.763 115.700 -0.052 0.000 2.593 116 S HA 0.280 4.758 4.470 0.013 0.000 0.217 116 S C 0.866 175.447 174.600 -0.031 0.000 0.966 116 S CA -0.321 57.873 58.200 -0.010 0.000 0.914 116 S CB 0.032 63.249 63.200 0.028 0.000 0.776 116 S HN 0.415 nan 8.310 nan 0.000 0.523 117 A N 1.986 124.751 122.820 -0.093 0.000 2.511 117 A HA 0.436 4.764 4.320 0.013 0.000 0.242 117 A C 1.159 178.760 177.584 0.028 0.000 1.069 117 A CA -0.369 51.608 52.037 -0.100 0.000 0.763 117 A CB -0.359 18.539 19.000 -0.169 0.000 1.001 117 A HN 0.554 nan 8.150 nan 0.000 0.498 118 I N 2.485 123.088 120.570 0.055 0.000 2.315 118 I HA -0.291 3.886 4.170 0.013 0.000 0.251 118 I C 2.236 178.530 176.117 0.294 0.000 1.125 118 I CA 2.349 63.771 61.300 0.203 0.000 1.392 118 I CB 0.074 38.202 38.000 0.212 0.000 1.065 118 I HN 0.807 nan 8.210 nan 0.000 0.424 119 S N 0.079 115.901 115.700 0.203 0.000 2.489 119 S HA 0.037 4.514 4.470 0.013 0.000 0.228 119 S C 1.674 176.376 174.600 0.171 0.000 0.995 119 S CA 0.566 58.876 58.200 0.183 0.000 0.934 119 S CB -0.365 62.952 63.200 0.195 0.000 0.771 119 S HN 0.589 nan 8.310 nan 0.000 0.522 120 I N 1.223 121.904 120.570 0.185 0.000 3.708 120 I HA 0.305 4.483 4.170 0.013 0.000 0.302 120 I C 1.450 177.643 176.117 0.127 0.000 1.255 120 I CA 0.007 61.424 61.300 0.195 0.000 1.362 120 I CB -0.209 37.917 38.000 0.210 0.000 1.100 120 I HN 0.277 nan 8.210 nan 0.000 0.434 121 A N 1.769 124.677 122.820 0.147 0.000 2.507 121 A HA 0.199 4.526 4.320 0.013 0.000 0.235 121 A C 0.055 177.744 177.584 0.176 0.000 1.070 121 A CA 0.449 52.585 52.037 0.165 0.000 0.768 121 A CB 0.129 19.262 19.000 0.221 0.000 1.011 121 A HN 0.333 nan 8.150 nan 0.000 0.502 122 E N 0.252 120.548 120.200 0.160 0.000 2.359 122 E HA 0.349 4.707 4.350 0.013 0.000 0.266 122 E C -0.529 176.189 176.600 0.197 0.000 0.920 122 E CA -0.916 55.563 56.400 0.132 0.000 0.788 122 E CB 1.135 30.871 29.700 0.061 0.000 1.279 122 E HN 0.766 nan 8.360 nan 0.000 0.438 123 D N 0.981 121.491 120.400 0.183 0.000 3.403 123 D HA -0.279 4.368 4.640 0.013 0.000 0.170 123 D C 1.153 177.612 176.300 0.265 0.000 1.134 123 D CA 1.291 55.419 54.000 0.214 0.000 0.950 123 D CB -0.289 40.581 40.800 0.115 0.000 0.503 123 D HN 0.581 nan 8.370 nan 0.000 0.496 124 E N 0.600 120.888 120.200 0.147 0.000 2.147 124 E HA -0.238 4.120 4.350 0.013 0.000 0.199 124 E C 1.934 178.537 176.600 0.004 0.000 1.005 124 E CA 1.821 58.260 56.400 0.063 0.000 0.810 124 E CB -0.327 29.387 29.700 0.024 0.000 0.736 124 E HN 0.496 nan 8.360 nan 0.000 0.460 125 E N 0.501 120.731 120.200 0.050 0.000 2.058 125 E HA -0.199 4.159 4.350 0.013 0.000 0.194 125 E C 1.832 178.457 176.600 0.041 0.000 0.997 125 E CA 1.618 58.032 56.400 0.024 0.000 0.801 125 E CB -0.630 29.106 29.700 0.060 0.000 0.746 125 E HN 0.397 nan 8.360 nan 0.000 0.450 126 W N 1.447 122.744 121.300 -0.006 0.000 2.358 126 W HA -0.099 4.562 4.660 0.002 0.000 0.303 126 W C 2.143 178.677 176.519 0.026 0.000 1.208 126 W CA 2.123 59.480 57.345 0.021 0.000 1.274 126 W CB -0.359 29.129 29.460 0.048 0.000 1.138 126 W HN 0.044 nan 8.180 nan 0.000 0.515 127 K N 0.323 120.548 120.400 -0.291 0.000 2.063 127 K HA -0.283 4.044 4.320 0.013 0.000 0.208 127 K C 2.407 178.688 176.600 -0.532 0.000 1.048 127 K CA 2.111 58.059 56.287 -0.566 0.000 0.928 127 K CB -0.383 32.034 32.500 -0.138 0.000 0.713 127 K HN 0.200 nan 8.250 nan 0.000 0.442 128 R N 0.729 120.897 120.500 -0.554 0.000 2.075 128 R HA -0.102 4.245 4.340 0.013 0.000 0.232 128 R C 2.169 178.292 176.300 -0.296 0.000 1.126 128 R CA 1.297 56.947 56.100 -0.750 0.000 0.963 128 R CB -0.294 29.540 30.300 -0.777 0.000 0.858 128 R HN 0.167 nan 8.270 nan 0.000 0.435 129 L N 0.369 121.440 121.223 -0.254 0.000 2.131 129 L HA -0.077 4.270 4.340 0.013 0.000 0.210 129 L C 2.629 179.415 176.870 -0.140 0.000 1.092 129 L CA 1.074 55.837 54.840 -0.129 0.000 0.759 129 L CB -0.269 41.751 42.059 -0.065 0.000 0.903 129 L HN 0.174 nan 8.230 nan 0.000 0.435 130 R N -0.668 119.606 120.500 -0.376 0.000 2.316 130 R HA -0.031 4.317 4.340 0.013 0.000 0.202 130 R C 2.030 178.258 176.300 -0.119 0.000 1.029 130 R CA 0.814 56.715 56.100 -0.333 0.000 1.018 130 R CB -0.001 29.816 30.300 -0.806 0.000 0.888 130 R HN 0.145 nan 8.270 nan 0.000 0.471 131 S N -0.542 115.125 115.700 -0.056 0.000 2.438 131 S HA 0.129 4.606 4.470 0.013 0.000 0.220 131 S C 1.513 176.160 174.600 0.079 0.000 1.045 131 S CA 0.322 58.553 58.200 0.052 0.000 0.940 131 S CB -0.076 63.228 63.200 0.174 0.000 0.863 131 S HN 0.210 nan 8.310 nan 0.000 0.539 132 L N 1.552 122.827 121.223 0.087 0.000 2.137 132 L HA -0.139 4.208 4.340 0.013 0.000 0.213 132 L C 1.920 178.869 176.870 0.132 0.000 1.085 132 L CA 1.156 56.054 54.840 0.097 0.000 0.760 132 L CB -0.488 41.622 42.059 0.085 0.000 0.893 132 L HN 0.293 nan 8.230 nan 0.000 0.434 133 L N -2.095 119.229 121.223 0.169 0.000 2.416 133 L HA -0.008 4.339 4.340 0.013 0.000 0.216 133 L C 2.531 179.598 176.870 0.328 0.000 1.098 133 L CA 0.013 55.027 54.840 0.291 0.000 0.840 133 L CB -0.158 42.152 42.059 0.418 0.000 0.981 133 L HN 0.129 nan 8.230 nan 0.000 0.462 134 S N 1.115 116.949 115.700 0.224 0.000 2.389 134 S HA -0.175 4.302 4.470 0.013 0.000 0.229 134 S C -0.397 174.335 174.600 0.220 0.000 1.048 134 S CA 1.879 60.211 58.200 0.219 0.000 1.117 134 S CB -1.361 61.918 63.200 0.132 0.000 1.020 134 S HN 0.264 nan 8.310 nan 0.000 0.430 135 P HA -0.126 nan 4.420 nan 0.000 0.218 135 P C 1.382 178.727 177.300 0.075 0.000 1.154 135 P CA 1.642 64.800 63.100 0.096 0.000 0.872 135 P CB -0.456 31.285 31.700 0.067 0.000 0.790 136 T N -2.119 112.468 114.554 0.055 0.000 2.897 136 T HA -0.135 4.222 4.350 0.013 0.000 0.271 136 T C 0.720 175.226 174.700 -0.323 0.000 1.084 136 T CA 1.163 63.190 62.100 -0.122 0.000 1.123 136 T CB -0.805 67.956 68.868 -0.179 0.000 0.865 136 T HN 0.127 nan 8.240 nan 0.000 0.496 137 F N 1.289 121.317 119.950 0.131 0.000 2.791 137 F HA 0.298 4.832 4.527 0.012 0.000 0.308 137 F C 0.855 176.725 175.800 0.117 0.000 1.138 137 F CA -0.717 57.366 58.000 0.138 0.000 1.294 137 F CB -0.088 38.947 39.000 0.059 0.000 0.975 137 F HN -0.111 nan 8.300 nan 0.000 0.512 138 T N -0.612 114.053 114.554 0.185 0.000 2.882 138 T HA 0.069 4.426 4.350 0.013 0.000 0.287 138 T C 1.491 176.260 174.700 0.114 0.000 1.014 138 T CA 0.196 62.376 62.100 0.134 0.000 1.049 138 T CB 1.533 70.449 68.868 0.080 0.000 1.001 138 T HN 0.322 nan 8.240 nan 0.000 0.525 139 S N 1.475 117.233 115.700 0.098 0.000 2.370 139 S HA -0.105 4.372 4.470 0.013 0.000 0.226 139 S C 2.384 176.935 174.600 -0.082 0.000 1.033 139 S CA 1.190 59.434 58.200 0.074 0.000 1.011 139 S CB -1.328 61.940 63.200 0.113 0.000 0.852 139 S HN 0.875 nan 8.310 nan 0.000 0.457 140 G N 3.119 111.871 108.800 -0.081 0.000 2.514 140 G HA2 -0.231 3.737 3.960 0.013 0.000 0.217 140 G HA3 -0.231 3.737 3.960 0.013 0.000 0.217 140 G C 1.526 176.363 174.900 -0.105 0.000 1.198 140 G CA 1.062 46.087 45.100 -0.124 0.000 0.780 140 G HN 0.506 nan 8.290 nan 0.000 0.565 141 K N 0.150 120.519 120.400 -0.052 0.000 2.113 141 K HA -0.085 4.243 4.320 0.013 0.000 0.208 141 K C 2.380 178.945 176.600 -0.058 0.000 1.047 141 K CA 0.976 57.229 56.287 -0.058 0.000 0.928 141 K CB -0.771 31.699 32.500 -0.050 0.000 0.716 141 K HN 0.370 nan 8.250 nan 0.000 0.446 142 L N 1.950 123.172 121.223 -0.001 0.000 1.961 142 L HA -0.157 4.191 4.340 0.013 0.000 0.210 142 L C 2.503 179.365 176.870 -0.015 0.000 1.072 142 L CA 1.959 56.840 54.840 0.068 0.000 0.749 142 L CB -0.781 41.389 42.059 0.185 0.000 0.889 142 L HN 0.101 nan 8.230 nan 0.000 0.432 143 K N -0.297 119.987 120.400 -0.193 0.000 2.077 143 K HA -0.283 4.045 4.320 0.013 0.000 0.213 143 K C 1.858 178.381 176.600 -0.129 0.000 1.051 143 K CA 2.421 58.511 56.287 -0.328 0.000 0.929 143 K CB -0.308 31.743 32.500 -0.748 0.000 0.715 143 K HN 0.585 nan 8.250 nan 0.000 0.451 144 E N -0.303 119.820 120.200 -0.130 0.000 2.333 144 E HA -0.182 4.176 4.350 0.013 0.000 0.198 144 E C 1.745 178.301 176.600 -0.075 0.000 1.007 144 E CA 1.127 57.470 56.400 -0.096 0.000 0.845 144 E CB -0.068 29.573 29.700 -0.099 0.000 0.766 144 E HN 0.500 nan 8.360 nan 0.000 0.507 145 M N -0.248 119.319 119.600 -0.055 0.000 2.509 145 M HA -0.015 4.472 4.480 0.013 0.000 0.250 145 M C 2.069 178.371 176.300 0.003 0.000 1.132 145 M CA 0.142 55.421 55.300 -0.035 0.000 1.080 145 M CB 0.437 33.025 32.600 -0.019 0.000 1.408 145 M HN -0.051 nan 8.290 nan 0.000 0.484 146 V N 1.631 121.553 119.914 0.014 0.000 2.252 146 V HA -0.206 3.922 4.120 0.013 0.000 0.249 146 V C -0.560 175.561 176.094 0.046 0.000 1.056 146 V CA 2.234 64.560 62.300 0.043 0.000 1.022 146 V CB -1.804 30.073 31.823 0.090 0.000 0.641 146 V HN 0.274 nan 8.190 nan 0.000 0.445 147 P HA -0.159 nan 4.420 nan 0.000 0.216 147 P C 1.534 178.858 177.300 0.041 0.000 1.150 147 P CA 1.510 64.624 63.100 0.022 0.000 0.843 147 P CB -0.081 31.616 31.700 -0.005 0.000 0.787 148 I N -0.565 120.039 120.570 0.058 0.000 2.163 148 I HA -0.194 3.983 4.170 0.013 0.000 0.240 148 I C 2.429 178.684 176.117 0.230 0.000 1.081 148 I CA 1.290 62.666 61.300 0.127 0.000 1.353 148 I CB -1.384 36.687 38.000 0.118 0.000 1.054 148 I HN -0.088 nan 8.210 nan 0.000 0.407 149 I N -0.449 120.230 120.570 0.183 0.000 2.226 149 I HA -0.214 3.963 4.170 0.013 0.000 0.245 149 I C 2.605 178.875 176.117 0.255 0.000 1.100 149 I CA 1.708 63.140 61.300 0.220 0.000 1.374 149 I CB -1.143 36.918 38.000 0.103 0.000 1.057 149 I HN 0.131 nan 8.210 nan 0.000 0.413 150 A N 1.269 124.186 122.820 0.161 0.000 1.883 150 A HA -0.320 4.007 4.320 0.013 0.000 0.217 150 A C 2.519 180.168 177.584 0.108 0.000 1.186 150 A CA 2.305 54.422 52.037 0.134 0.000 0.624 150 A CB -1.063 17.984 19.000 0.079 0.000 0.822 150 A HN 0.722 nan 8.150 nan 0.000 0.444 151 Q N -1.651 118.175 119.800 0.043 0.000 2.133 151 Q HA -0.257 4.090 4.340 0.013 0.000 0.208 151 Q C 1.676 177.539 176.000 -0.229 0.000 0.991 151 Q CA 2.299 58.035 55.803 -0.112 0.000 0.867 151 Q CB -0.322 28.304 28.738 -0.187 0.000 0.911 151 Q HN 0.774 nan 8.270 nan 0.000 0.417 152 Y N -0.639 119.748 120.300 0.145 0.000 2.516 152 Y HA 0.099 4.657 4.550 0.013 0.000 0.291 152 Y C 2.258 178.365 175.900 0.345 0.000 1.131 152 Y CA 0.707 58.926 58.100 0.198 0.000 1.281 152 Y CB -0.150 38.379 38.460 0.114 0.000 1.013 152 Y HN 0.283 nan 8.280 nan 0.000 0.554 153 G N -0.123 108.919 108.800 0.404 0.000 2.402 153 G HA2 -0.216 3.751 3.960 0.013 0.000 0.216 153 G HA3 -0.216 3.751 3.960 0.013 0.000 0.216 153 G C 1.293 176.305 174.900 0.188 0.000 1.162 153 G CA 1.117 46.402 45.100 0.308 0.000 0.777 153 G HN 0.247 nan 8.290 nan 0.000 0.539 154 D N 0.462 120.932 120.400 0.116 0.000 2.123 154 D HA -0.104 4.543 4.640 0.013 0.000 0.196 154 D C 2.780 179.131 176.300 0.085 0.000 0.992 154 D CA 0.829 54.871 54.000 0.070 0.000 0.833 154 D CB -0.468 40.338 40.800 0.009 0.000 0.954 154 D HN 0.206 nan 8.370 nan 0.000 0.455 155 V N 1.283 121.244 119.914 0.078 0.000 2.343 155 V HA -0.223 3.905 4.120 0.013 0.000 0.247 155 V C 2.501 178.701 176.094 0.175 0.000 1.051 155 V CA 1.223 63.590 62.300 0.112 0.000 1.036 155 V CB -0.535 31.376 31.823 0.146 0.000 0.654 155 V HN 0.142 nan 8.190 nan 0.000 0.451 156 L N -0.162 121.206 121.223 0.243 0.000 2.046 156 L HA -0.083 4.265 4.340 0.013 0.000 0.208 156 L C 2.323 179.277 176.870 0.139 0.000 1.077 156 L CA 1.802 56.764 54.840 0.202 0.000 0.747 156 L CB -0.573 41.618 42.059 0.219 0.000 0.896 156 L HN 0.075 nan 8.230 nan 0.000 0.432 157 V N -0.109 119.917 119.914 0.186 0.000 2.295 157 V HA -0.275 3.853 4.120 0.013 0.000 0.246 157 V C 2.889 179.139 176.094 0.259 0.000 1.049 157 V CA 1.996 64.473 62.300 0.295 0.000 1.024 157 V CB -0.527 31.466 31.823 0.283 0.000 0.648 157 V HN 0.505 nan 8.190 nan 0.000 0.447 158 R N 0.597 121.194 120.500 0.162 0.000 2.103 158 R HA -0.168 4.179 4.340 0.013 0.000 0.242 158 R C 2.163 178.531 176.300 0.112 0.000 1.142 158 R CA 1.997 58.169 56.100 0.120 0.000 0.960 158 R CB -0.578 29.770 30.300 0.081 0.000 0.858 158 R HN 0.531 nan 8.270 nan 0.000 0.439 159 N N -0.240 118.519 118.700 0.098 0.000 2.080 159 N HA -0.145 4.602 4.740 0.013 0.000 0.189 159 N C 1.538 177.054 175.510 0.011 0.000 1.036 159 N CA 1.128 54.213 53.050 0.058 0.000 0.846 159 N CB -0.268 38.257 38.487 0.065 0.000 1.015 159 N HN 0.122 nan 8.380 nan 0.000 0.423 160 L N 2.040 123.243 121.223 -0.035 0.000 2.131 160 L HA -0.105 4.243 4.340 0.013 0.000 0.210 160 L C 2.393 179.168 176.870 -0.159 0.000 1.092 160 L CA 1.333 56.035 54.840 -0.229 0.000 0.759 160 L CB -0.669 41.083 42.059 -0.512 0.000 0.903 160 L HN 0.045 nan 8.230 nan 0.000 0.435 161 R N -0.273 120.333 120.500 0.175 0.000 2.112 161 R HA -0.204 4.143 4.340 0.013 0.000 0.242 161 R C 2.414 178.788 176.300 0.123 0.000 1.137 161 R CA 1.983 58.280 56.100 0.328 0.000 0.944 161 R CB -0.326 30.127 30.300 0.255 0.000 0.857 161 R HN 0.319 nan 8.270 nan 0.000 0.435 162 R N -0.352 120.184 120.500 0.060 0.000 2.070 162 R HA -0.151 4.197 4.340 0.013 0.000 0.233 162 R C 2.360 178.655 176.300 -0.008 0.000 1.137 162 R CA 1.826 57.941 56.100 0.025 0.000 0.945 162 R CB -0.419 29.893 30.300 0.020 0.000 0.845 162 R HN 0.301 nan 8.270 nan 0.000 0.430 163 E N 0.168 120.343 120.200 -0.042 0.000 2.209 163 E HA -0.184 4.173 4.350 0.013 0.000 0.196 163 E C 1.570 178.122 176.600 -0.081 0.000 0.993 163 E CA 1.513 57.872 56.400 -0.067 0.000 0.819 163 E CB 0.056 29.697 29.700 -0.100 0.000 0.745 163 E HN 0.402 nan 8.360 nan 0.000 0.477 164 A N 0.059 122.822 122.820 -0.094 0.000 1.881 164 A HA -0.027 4.301 4.320 0.013 0.000 0.210 164 A C 2.047 179.616 177.584 -0.026 0.000 1.239 164 A CA 0.946 52.930 52.037 -0.088 0.000 0.629 164 A CB -0.583 18.342 19.000 -0.126 0.000 0.906 164 A HN 0.289 nan 8.150 nan 0.000 0.460 165 E N -0.370 119.839 120.200 0.014 0.000 2.197 165 E HA -0.249 4.109 4.350 0.013 0.000 0.205 165 E C 1.861 178.462 176.600 0.003 0.000 1.029 165 E CA 2.013 58.426 56.400 0.022 0.000 0.828 165 E CB -0.171 29.551 29.700 0.036 0.000 0.737 165 E HN 0.614 nan 8.360 nan 0.000 0.464 166 T N -1.762 112.788 114.554 -0.006 0.000 2.588 166 T HA -0.031 4.327 4.350 0.013 0.000 0.261 166 T C 1.442 176.134 174.700 -0.012 0.000 1.069 166 T CA 1.665 63.760 62.100 -0.009 0.000 1.172 166 T CB -0.233 68.627 68.868 -0.014 0.000 0.863 166 T HN 0.511 nan 8.240 nan 0.000 0.408 167 G N 0.033 108.821 108.800 -0.020 0.000 3.611 167 G HA2 -0.020 3.948 3.960 0.013 0.000 0.217 167 G HA3 -0.020 3.948 3.960 0.013 0.000 0.217 167 G C -0.025 174.860 174.900 -0.025 0.000 1.023 167 G CA -0.559 44.529 45.100 -0.020 0.000 0.887 167 G HN 0.391 nan 8.290 nan 0.000 0.420 168 K N 1.503 121.888 120.400 -0.025 0.000 2.258 168 K HA 0.462 4.789 4.320 0.013 0.000 0.264 168 K C -2.353 174.226 176.600 -0.034 0.000 1.007 168 K CA -1.292 54.980 56.287 -0.025 0.000 0.941 168 K CB 0.634 33.121 32.500 -0.022 0.000 0.966 168 K HN 0.059 nan 8.250 nan 0.000 0.480 169 P HA -0.020 nan 4.420 nan 0.000 0.269 169 P C -1.010 176.269 177.300 -0.035 0.000 1.209 169 P CA -0.207 62.878 63.100 -0.026 0.000 0.776 169 P CB 0.559 32.254 31.700 -0.010 0.000 0.876 170 V N 2.898 122.789 119.914 -0.039 0.000 2.439 170 V HA 0.208 4.336 4.120 0.013 0.000 0.282 170 V C 0.416 176.488 176.094 -0.036 0.000 1.039 170 V CA -0.132 62.136 62.300 -0.054 0.000 0.913 170 V CB 1.405 33.177 31.823 -0.085 0.000 0.983 170 V HN 0.494 nan 8.190 nan 0.000 0.460 171 T N 6.613 121.136 114.554 -0.052 0.000 2.747 171 T HA 0.334 4.691 4.350 0.013 0.000 0.301 171 T C 1.422 176.077 174.700 -0.074 0.000 0.952 171 T CA -0.258 61.813 62.100 -0.048 0.000 0.983 171 T CB 0.524 69.365 68.868 -0.044 0.000 0.930 171 T HN 0.435 nan 8.240 nan 0.000 0.494 172 L N 3.223 124.410 121.223 -0.060 0.000 1.990 172 L HA -0.246 4.102 4.340 0.013 0.000 0.213 172 L C 2.812 179.677 176.870 -0.008 0.000 1.072 172 L CA 1.629 56.429 54.840 -0.068 0.000 0.755 172 L CB -0.741 41.370 42.059 0.086 0.000 0.889 172 L HN 0.680 nan 8.230 nan 0.000 0.432 173 K N -0.122 120.272 120.400 -0.011 0.000 2.107 173 K HA -0.256 4.072 4.320 0.013 0.000 0.211 173 K C 1.474 178.077 176.600 0.006 0.000 1.049 173 K CA 2.121 58.398 56.287 -0.016 0.000 0.927 173 K CB -0.559 31.893 32.500 -0.081 0.000 0.714 173 K HN 0.302 nan 8.250 nan 0.000 0.452 174 D N 1.247 121.632 120.400 -0.024 0.000 2.084 174 D HA -0.122 4.526 4.640 0.013 0.000 0.196 174 D C 2.303 178.595 176.300 -0.013 0.000 0.985 174 D CA 1.913 55.907 54.000 -0.010 0.000 0.826 174 D CB -0.455 40.330 40.800 -0.025 0.000 0.978 174 D HN 0.257 nan 8.370 nan 0.000 0.456 175 V N 0.091 119.933 119.914 -0.121 0.000 2.332 175 V HA -0.223 3.904 4.120 0.013 0.000 0.248 175 V C 2.275 178.303 176.094 -0.111 0.000 1.055 175 V CA 1.420 63.602 62.300 -0.197 0.000 1.038 175 V CB -1.014 30.547 31.823 -0.437 0.000 0.651 175 V HN -0.035 nan 8.190 nan 0.000 0.450 176 F N 2.146 122.131 119.950 0.059 0.000 2.293 176 F HA 0.266 4.801 4.527 0.013 0.000 0.297 176 F C 2.529 178.424 175.800 0.159 0.000 1.089 176 F CA 0.639 58.707 58.000 0.113 0.000 1.377 176 F CB -1.424 37.586 39.000 0.017 0.000 1.051 176 F HN 0.184 nan 8.300 nan 0.000 0.511 177 G N 0.128 109.079 108.800 0.250 0.000 2.491 177 G HA2 -0.265 3.702 3.960 0.013 0.000 0.218 177 G HA3 -0.265 3.702 3.960 0.013 0.000 0.218 177 G C 1.969 177.066 174.900 0.329 0.000 1.180 177 G CA 1.148 46.385 45.100 0.229 0.000 0.774 177 G HN 0.430 nan 8.290 nan 0.000 0.562 178 A N -0.058 122.901 122.820 0.231 0.000 1.883 178 A HA -0.079 4.248 4.320 0.013 0.000 0.217 178 A C 2.250 179.958 177.584 0.206 0.000 1.186 178 A CA 1.901 54.050 52.037 0.188 0.000 0.624 178 A CB -0.782 18.304 19.000 0.143 0.000 0.822 178 A HN 0.554 nan 8.150 nan 0.000 0.444 179 Y N 0.726 121.136 120.300 0.183 0.000 2.128 179 Y HA -0.192 4.365 4.550 0.012 0.000 0.284 179 Y C 2.870 178.897 175.900 0.210 0.000 1.154 179 Y CA 1.848 60.076 58.100 0.214 0.000 1.149 179 Y CB -0.650 37.974 38.460 0.275 0.000 0.976 179 Y HN 0.302 nan 8.280 nan 0.000 0.505 180 S N -0.160 115.656 115.700 0.194 0.000 2.359 180 S HA -0.287 4.190 4.470 0.013 0.000 0.224 180 S C 2.140 176.791 174.600 0.085 0.000 1.035 180 S CA 1.741 60.031 58.200 0.150 0.000 1.018 180 S CB -0.593 62.809 63.200 0.338 0.000 0.876 180 S HN 0.637 nan 8.310 nan 0.000 0.448 181 M N 1.872 121.544 119.600 0.120 0.000 2.065 181 M HA -0.116 4.371 4.480 0.013 0.000 0.259 181 M C 1.397 177.617 176.300 -0.132 0.000 1.071 181 M CA 2.289 57.542 55.300 -0.079 0.000 1.109 181 M CB -0.821 31.724 32.600 -0.091 0.000 1.313 181 M HN 0.178 nan 8.290 nan 0.000 0.408 182 D N -0.451 119.841 120.400 -0.180 0.000 2.133 182 D HA -0.171 4.477 4.640 0.013 0.000 0.195 182 D C 2.094 178.059 176.300 -0.558 0.000 0.997 182 D CA 1.844 55.588 54.000 -0.427 0.000 0.840 182 D CB -0.641 39.896 40.800 -0.437 0.000 0.947 182 D HN 0.335 nan 8.370 nan 0.000 0.452 183 V N 0.810 120.487 119.914 -0.395 0.000 2.427 183 V HA -0.183 3.944 4.120 0.013 0.000 0.248 183 V C 2.443 178.545 176.094 0.013 0.000 1.051 183 V CA 0.935 63.116 62.300 -0.199 0.000 1.048 183 V CB -0.320 31.402 31.823 -0.168 0.000 0.666 183 V HN 0.191 nan 8.190 nan 0.000 0.456 184 I N 0.962 121.544 120.570 0.020 0.000 2.090 184 I HA -0.261 3.916 4.170 0.013 0.000 0.236 184 I C 2.895 179.086 176.117 0.122 0.000 1.064 184 I CA 2.160 63.524 61.300 0.107 0.000 1.324 184 I CB -0.929 37.105 38.000 0.058 0.000 1.044 184 I HN 0.510 nan 8.210 nan 0.000 0.399 185 T N -1.169 113.429 114.554 0.073 0.000 2.607 185 T HA -0.229 4.129 4.350 0.013 0.000 0.267 185 T C 1.986 176.764 174.700 0.131 0.000 1.049 185 T CA 2.028 64.233 62.100 0.174 0.000 1.162 185 T CB -0.968 68.020 68.868 0.200 0.000 0.863 185 T HN 0.271 nan 8.240 nan 0.000 0.424 186 S N 2.019 117.720 115.700 0.001 0.000 2.374 186 S HA -0.119 4.358 4.470 0.013 0.000 0.227 186 S C 2.240 176.893 174.600 0.088 0.000 1.037 186 S CA 1.778 59.990 58.200 0.021 0.000 1.024 186 S CB -1.103 62.047 63.200 -0.083 0.000 0.861 186 S HN 0.952 nan 8.310 nan 0.000 0.456 187 T N -1.574 113.057 114.554 0.129 0.000 3.317 187 T HA 0.271 4.628 4.350 0.013 0.000 0.250 187 T C 0.431 175.224 174.700 0.155 0.000 1.106 187 T CA 0.213 62.382 62.100 0.115 0.000 0.986 187 T CB 0.013 69.031 68.868 0.251 0.000 1.010 187 T HN 0.136 nan 8.240 nan 0.000 0.560 188 S N 0.325 116.168 115.700 0.238 0.000 2.564 188 S HA 0.507 4.984 4.470 0.013 0.000 0.141 188 S C -1.083 173.744 174.600 0.379 0.000 1.474 188 S CA -0.715 57.683 58.200 0.331 0.000 1.236 188 S CB -0.878 62.551 63.200 0.382 0.000 1.481 188 S HN 0.413 nan 8.310 nan 0.000 0.397 189 F N -0.088 119.906 119.950 0.072 0.000 2.145 189 F HA -0.101 4.433 4.527 0.012 0.000 0.512 189 F C 1.085 176.895 175.800 0.017 0.000 1.281 189 F CA 0.780 58.803 58.000 0.039 0.000 1.641 189 F CB -0.650 38.363 39.000 0.022 0.000 2.656 189 F HN 0.516 nan 8.300 nan 0.000 0.720 190 G N 3.586 112.373 108.800 -0.022 0.000 3.307 190 G HA2 0.089 4.056 3.960 0.013 0.000 0.200 190 G HA3 0.089 4.056 3.960 0.013 0.000 0.200 190 G C 0.392 175.316 174.900 0.040 0.000 1.148 190 G CA 0.319 45.418 45.100 -0.002 0.000 1.387 190 G HN 0.640 nan 8.290 nan 0.000 0.527 191 V N 1.791 121.735 119.914 0.049 0.000 2.302 191 V HA 0.037 4.164 4.120 0.013 0.000 0.244 191 V C 0.135 176.255 176.094 0.044 0.000 1.160 191 V CA -0.468 61.817 62.300 -0.024 0.000 1.127 191 V CB -0.251 31.484 31.823 -0.148 0.000 1.253 191 V HN 0.356 nan 8.190 nan 0.000 0.496 192 N N 6.154 124.902 118.700 0.081 0.000 2.500 192 N HA 0.490 5.238 4.740 0.013 0.000 0.236 192 N C -0.563 175.055 175.510 0.181 0.000 1.022 192 N CA -0.038 53.121 53.050 0.181 0.000 0.935 192 N CB 1.654 40.296 38.487 0.258 0.000 1.147 192 N HN 0.495 nan 8.380 nan 0.000 0.512 193 I N 0.135 120.795 120.570 0.151 0.000 2.689 193 I HA 0.139 4.317 4.170 0.013 0.000 0.299 193 I C 0.263 176.496 176.117 0.194 0.000 1.059 193 I CA -0.806 60.586 61.300 0.153 0.000 1.055 193 I CB 2.422 40.497 38.000 0.126 0.000 1.243 193 I HN 0.162 nan 8.210 nan 0.000 0.425 194 D N 3.314 123.824 120.400 0.183 0.000 2.845 194 D HA 0.113 4.760 4.640 0.013 0.000 0.235 194 D C 1.059 177.436 176.300 0.128 0.000 1.158 194 D CA 0.160 54.272 54.000 0.187 0.000 0.990 194 D CB 0.471 41.358 40.800 0.146 0.000 1.094 194 D HN 0.466 nan 8.370 nan 0.000 0.486 195 S N 0.804 116.568 115.700 0.106 0.000 2.422 195 S HA -0.270 4.207 4.470 0.013 0.000 0.241 195 S C 1.720 176.364 174.600 0.073 0.000 1.076 195 S CA 1.028 59.273 58.200 0.074 0.000 1.066 195 S CB -0.143 63.083 63.200 0.044 0.000 0.890 195 S HN 0.524 nan 8.310 nan 0.000 0.465 196 L N 1.907 123.183 121.223 0.088 0.000 2.131 196 L HA 0.022 4.369 4.340 0.013 0.000 0.210 196 L C 1.180 178.084 176.870 0.057 0.000 1.092 196 L CA 1.707 56.590 54.840 0.072 0.000 0.759 196 L CB -0.379 41.726 42.059 0.077 0.000 0.903 196 L HN 0.211 nan 8.230 nan 0.000 0.435 197 N N -0.391 118.347 118.700 0.063 0.000 2.203 197 N HA 0.091 4.838 4.740 0.013 0.000 0.207 197 N C -0.265 175.274 175.510 0.049 0.000 1.130 197 N CA 0.126 53.206 53.050 0.051 0.000 0.861 197 N CB 0.141 38.660 38.487 0.053 0.000 1.005 197 N HN 0.366 nan 8.380 nan 0.000 0.507 198 N N 0.109 118.841 118.700 0.054 0.000 2.644 198 N HA 0.221 4.968 4.740 0.013 0.000 0.313 198 N C -2.090 173.445 175.510 0.042 0.000 1.863 198 N CA -1.109 51.972 53.050 0.051 0.000 0.918 198 N CB 1.291 39.818 38.487 0.067 0.000 1.320 198 N HN -0.014 nan 8.380 nan 0.000 0.490 199 P HA -0.152 nan 4.420 nan 0.000 0.220 199 P C 0.842 178.148 177.300 0.010 0.000 1.144 199 P CA 1.268 64.381 63.100 0.021 0.000 0.800 199 P CB 0.382 32.092 31.700 0.018 0.000 0.772 200 Q N -1.536 118.273 119.800 0.014 0.000 2.247 200 Q HA 0.058 4.405 4.340 0.013 0.000 0.211 200 Q C 0.147 176.152 176.000 0.009 0.000 0.861 200 Q CA 0.095 55.900 55.803 0.004 0.000 0.949 200 Q CB -0.392 28.349 28.738 0.004 0.000 1.115 200 Q HN 0.299 nan 8.270 nan 0.000 0.507 201 D N 2.141 122.559 120.400 0.031 0.000 2.368 201 D HA -0.011 4.636 4.640 0.013 0.000 0.268 201 D C -1.684 174.639 176.300 0.039 0.000 1.298 201 D CA -1.482 52.554 54.000 0.059 0.000 0.938 201 D CB 1.431 42.290 40.800 0.100 0.000 1.101 201 D HN -0.062 nan 8.370 nan 0.000 0.509 202 P HA -0.218 nan 4.420 nan 0.000 0.219 202 P C 1.298 178.480 177.300 -0.197 0.000 1.158 202 P CA 1.036 64.068 63.100 -0.114 0.000 0.895 202 P CB -0.133 31.511 31.700 -0.094 0.000 0.792 203 F N -0.586 119.330 119.950 -0.056 0.000 2.202 203 F HA -0.152 4.382 4.527 0.012 0.000 0.301 203 F C 2.037 177.880 175.800 0.071 0.000 1.082 203 F CA 1.189 59.287 58.000 0.164 0.000 1.313 203 F CB -0.575 38.608 39.000 0.305 0.000 1.024 203 F HN -0.239 nan 8.300 nan 0.000 0.495 204 V N -0.441 119.467 119.914 -0.009 0.000 2.992 204 V HA -0.070 4.058 4.120 0.013 0.000 0.250 204 V C 2.021 178.021 176.094 -0.157 0.000 1.090 204 V CA 1.289 63.529 62.300 -0.101 0.000 1.101 204 V CB 0.044 31.882 31.823 0.024 0.000 0.743 204 V HN 0.195 nan 8.190 nan 0.000 0.468 205 E N 0.443 120.557 120.200 -0.143 0.000 2.418 205 E HA -0.094 4.264 4.350 0.013 0.000 0.197 205 E C 1.809 178.293 176.600 -0.194 0.000 1.026 205 E CA 0.871 57.187 56.400 -0.140 0.000 0.862 205 E CB -0.133 29.495 29.700 -0.120 0.000 0.799 205 E HN 0.608 nan 8.360 nan 0.000 0.518 206 N N -0.973 117.546 118.700 -0.301 0.000 2.414 206 N HA -0.073 4.674 4.740 0.013 0.000 0.189 206 N C 1.772 177.176 175.510 -0.178 0.000 1.039 206 N CA 1.809 54.690 53.050 -0.282 0.000 0.889 206 N CB -0.596 37.582 38.487 -0.516 0.000 1.085 206 N HN 0.325 nan 8.380 nan 0.000 0.442 207 T N -0.076 114.320 114.554 -0.264 0.000 2.822 207 T HA -0.161 4.196 4.350 0.013 0.000 0.270 207 T C 1.862 176.412 174.700 -0.249 0.000 1.064 207 T CA 1.364 63.314 62.100 -0.251 0.000 1.131 207 T CB -0.093 68.545 68.868 -0.384 0.000 0.858 207 T HN -0.012 nan 8.240 nan 0.000 0.483 208 K N 1.603 121.860 120.400 -0.238 0.000 2.103 208 K HA -0.027 4.301 4.320 0.013 0.000 0.207 208 K C 2.158 178.788 176.600 0.051 0.000 1.048 208 K CA 1.269 57.461 56.287 -0.159 0.000 0.930 208 K CB -0.233 32.227 32.500 -0.066 0.000 0.716 208 K HN 0.477 nan 8.250 nan 0.000 0.444 209 K N 0.234 120.645 120.400 0.019 0.000 2.504 209 K HA -0.019 4.309 4.320 0.013 0.000 0.195 209 K C 0.165 176.839 176.600 0.124 0.000 1.036 209 K CA 0.356 56.684 56.287 0.067 0.000 0.984 209 K CB -0.044 32.477 32.500 0.034 0.000 0.788 209 K HN 0.161 nan 8.250 nan 0.000 0.488 210 L N 2.934 124.252 121.223 0.159 0.000 2.511 210 L HA 0.110 4.458 4.340 0.013 0.000 0.239 210 L C -0.187 176.860 176.870 0.295 0.000 1.400 210 L CA -0.184 54.818 54.840 0.270 0.000 1.226 210 L CB -0.566 41.655 42.059 0.270 0.000 1.475 210 L HN 0.076 nan 8.230 nan 0.000 0.428 211 L N 0.932 122.241 121.223 0.143 0.000 2.399 211 L HA 0.406 4.753 4.340 0.013 0.000 0.266 211 L C 0.642 177.357 176.870 -0.259 0.000 1.114 211 L CA -1.078 53.735 54.840 -0.045 0.000 0.804 211 L CB 0.534 42.567 42.059 -0.044 0.000 1.146 211 L HN 0.315 nan 8.230 nan 0.000 0.451 212 R N 1.434 121.652 120.500 -0.470 0.000 2.623 212 R HA 0.162 4.510 4.340 0.013 0.000 0.271 212 R C -0.597 175.452 176.300 -0.418 0.000 1.043 212 R CA 0.176 55.889 56.100 -0.645 0.000 1.083 212 R CB -0.122 29.875 30.300 -0.505 0.000 0.974 212 R HN 0.318 nan 8.270 nan 0.000 0.436 213 F N 0.784 120.606 119.950 -0.213 0.000 2.471 213 F HA -0.023 4.511 4.527 0.012 0.000 0.353 213 F C 1.327 176.755 175.800 -0.621 0.000 1.113 213 F CA -0.174 57.535 58.000 -0.486 0.000 1.262 213 F CB 0.537 38.898 39.000 -1.065 0.000 1.146 213 F HN 0.335 nan 8.300 nan 0.000 0.578 214 D N 3.109 123.387 120.400 -0.203 0.000 2.443 214 D HA 0.149 4.797 4.640 0.013 0.000 0.221 214 D C 0.104 176.297 176.300 -0.178 0.000 1.097 214 D CA -0.423 53.498 54.000 -0.133 0.000 0.865 214 D CB 0.162 40.962 40.800 0.000 0.000 1.034 214 D HN 0.273 nan 8.370 nan 0.000 0.511 215 F N 2.282 122.228 119.950 -0.007 0.000 2.771 215 F HA 0.107 4.642 4.527 0.014 0.000 0.299 215 F C 1.714 177.581 175.800 0.111 0.000 1.177 215 F CA 0.299 58.256 58.000 -0.073 0.000 1.450 215 F CB 0.008 38.933 39.000 -0.124 0.000 1.114 215 F HN 0.399 nan 8.300 nan 0.000 0.587 216 L N -0.340 120.964 121.223 0.135 0.000 2.693 216 L HA 0.126 4.473 4.340 0.013 0.000 0.235 216 L C 0.325 177.234 176.870 0.065 0.000 1.127 216 L CA -0.390 54.446 54.840 -0.006 0.000 0.914 216 L CB -0.388 41.512 42.059 -0.266 0.000 1.193 216 L HN 0.014 nan 8.230 nan 0.000 0.502 217 D N -0.765 119.729 120.400 0.158 0.000 2.360 217 D HA 0.084 4.731 4.640 0.013 0.000 0.242 217 D C -1.831 174.559 176.300 0.150 0.000 1.184 217 D CA -1.988 52.099 54.000 0.145 0.000 0.930 217 D CB 0.384 41.285 40.800 0.170 0.000 1.161 217 D HN -0.240 nan 8.370 nan 0.000 0.447 218 P HA -0.185 nan 4.420 nan 0.000 0.217 218 P C 1.293 178.629 177.300 0.061 0.000 1.158 218 P CA 1.245 64.386 63.100 0.067 0.000 0.887 218 P CB -0.154 31.583 31.700 0.062 0.000 0.792 219 F N -0.856 119.050 119.950 -0.074 0.000 2.069 219 F HA -0.197 4.337 4.527 0.012 0.000 0.298 219 F C 2.060 177.745 175.800 -0.191 0.000 1.113 219 F CA 1.593 59.480 58.000 -0.189 0.000 1.214 219 F CB -1.051 37.734 39.000 -0.358 0.000 0.978 219 F HN -0.199 nan 8.300 nan 0.000 0.474 220 F N 0.157 120.111 119.950 0.006 0.000 2.186 220 F HA -0.166 4.369 4.527 0.012 0.000 0.299 220 F C 2.256 178.005 175.800 -0.084 0.000 1.090 220 F CA 0.975 58.943 58.000 -0.053 0.000 1.307 220 F CB -0.543 38.584 39.000 0.211 0.000 1.019 220 F HN -0.031 nan 8.300 nan 0.000 0.489 221 L N -1.048 120.237 121.223 0.103 0.000 2.083 221 L HA -0.223 4.125 4.340 0.013 0.000 0.209 221 L C 2.473 179.241 176.870 -0.170 0.000 1.083 221 L CA 1.108 55.955 54.840 0.011 0.000 0.752 221 L CB -0.733 41.330 42.059 0.007 0.000 0.899 221 L HN 0.060 nan 8.230 nan 0.000 0.433 222 S N -0.012 115.532 115.700 -0.260 0.000 2.356 222 S HA -0.109 4.369 4.470 0.013 0.000 0.223 222 S C 1.914 176.213 174.600 -0.502 0.000 1.032 222 S CA 0.957 58.875 58.200 -0.470 0.000 1.005 222 S CB -0.114 62.933 63.200 -0.255 0.000 0.867 222 S HN 0.222 nan 8.310 nan 0.000 0.449 223 I N 1.954 122.265 120.570 -0.432 0.000 2.493 223 I HA -0.100 4.078 4.170 0.013 0.000 0.254 223 I C 2.274 178.281 176.117 -0.182 0.000 1.160 223 I CA 1.296 62.392 61.300 -0.340 0.000 1.445 223 I CB -1.926 35.823 38.000 -0.418 0.000 1.086 223 I HN 0.265 nan 8.210 nan 0.000 0.433 224 T N 0.858 115.343 114.554 -0.115 0.000 2.777 224 T HA -0.067 4.291 4.350 0.013 0.000 0.266 224 T C 2.107 176.769 174.700 -0.064 0.000 1.040 224 T CA 1.139 63.228 62.100 -0.018 0.000 1.141 224 T CB -0.133 68.777 68.868 0.070 0.000 0.868 224 T HN 0.136 nan 8.240 nan 0.000 0.444 225 V N 0.227 120.003 119.914 -0.229 0.000 2.719 225 V HA 0.106 4.233 4.120 0.013 0.000 0.252 225 V C 0.807 176.812 176.094 -0.148 0.000 1.065 225 V CA 1.097 63.251 62.300 -0.244 0.000 1.086 225 V CB -0.575 30.937 31.823 -0.518 0.000 0.700 225 V HN 0.502 nan 8.190 nan 0.000 0.467 226 F N 0.908 120.717 119.950 -0.234 0.000 2.627 226 F HA 0.351 4.885 4.527 0.012 0.000 0.329 226 F C -1.272 174.066 175.800 -0.770 0.000 1.378 226 F CA -1.793 55.751 58.000 -0.759 0.000 1.134 226 F CB 0.561 39.056 39.000 -0.842 0.000 1.229 226 F HN 0.091 nan 8.300 nan 0.000 0.537 227 P HA -0.242 nan 4.420 nan 0.000 0.219 227 P C 1.488 178.743 177.300 -0.074 0.000 1.146 227 P CA 1.415 64.458 63.100 -0.095 0.000 0.808 227 P CB -0.280 31.441 31.700 0.036 0.000 0.779 228 F N -1.255 118.751 119.950 0.094 0.000 2.583 228 F HA 0.003 4.537 4.527 0.012 0.000 0.297 228 F C 1.793 177.620 175.800 0.045 0.000 1.131 228 F CA 0.469 58.506 58.000 0.061 0.000 1.467 228 F CB -1.799 37.235 39.000 0.058 0.000 1.097 228 F HN -0.220 nan 8.300 nan 0.000 0.586 229 L N 0.032 121.108 121.223 -0.245 0.000 2.509 229 L HA 0.071 4.418 4.340 0.013 0.000 0.222 229 L C 2.257 179.108 176.870 -0.032 0.000 1.123 229 L CA 0.213 54.991 54.840 -0.103 0.000 0.856 229 L CB -0.423 41.520 42.059 -0.193 0.000 0.985 229 L HN 0.226 nan 8.230 nan 0.000 0.456 230 I N 0.824 121.372 120.570 -0.036 0.000 2.226 230 I HA -0.200 3.978 4.170 0.013 0.000 0.245 230 I C -0.317 175.807 176.117 0.012 0.000 1.100 230 I CA 1.475 62.767 61.300 -0.014 0.000 1.374 230 I CB -1.230 36.756 38.000 -0.024 0.000 1.057 230 I HN 0.202 nan 8.210 nan 0.000 0.413 231 P HA -0.120 nan 4.420 nan 0.000 0.218 231 P C 1.842 179.162 177.300 0.034 0.000 1.149 231 P CA 1.401 64.521 63.100 0.032 0.000 0.817 231 P CB 0.034 31.761 31.700 0.045 0.000 0.785 232 I N -1.417 119.179 120.570 0.042 0.000 2.315 232 I HA -0.206 3.972 4.170 0.013 0.000 0.248 232 I C 2.085 178.222 176.117 0.034 0.000 1.117 232 I CA 1.290 62.614 61.300 0.039 0.000 1.404 232 I CB -0.442 37.586 38.000 0.047 0.000 1.071 232 I HN -0.084 nan 8.210 nan 0.000 0.419 233 L N -0.075 121.169 121.223 0.035 0.000 2.109 233 L HA -0.134 4.214 4.340 0.013 0.000 0.207 233 L C 2.580 179.470 176.870 0.034 0.000 1.086 233 L CA 0.918 55.783 54.840 0.042 0.000 0.760 233 L CB -0.577 41.524 42.059 0.069 0.000 0.910 233 L HN 0.212 nan 8.230 nan 0.000 0.437 234 E N -0.080 120.136 120.200 0.027 0.000 2.051 234 E HA -0.212 4.145 4.350 0.013 0.000 0.192 234 E C 2.311 178.926 176.600 0.026 0.000 0.991 234 E CA 1.205 57.619 56.400 0.023 0.000 0.799 234 E CB -0.483 29.225 29.700 0.014 0.000 0.748 234 E HN 0.274 nan 8.360 nan 0.000 0.449 235 V N 1.358 121.287 119.914 0.025 0.000 2.407 235 V HA -0.186 3.941 4.120 0.013 0.000 0.248 235 V C 2.116 178.224 176.094 0.024 0.000 1.055 235 V CA 1.223 63.538 62.300 0.024 0.000 1.049 235 V CB -0.228 31.608 31.823 0.022 0.000 0.662 235 V HN 0.194 nan 8.190 nan 0.000 0.455 236 L N 0.207 121.444 121.223 0.024 0.000 2.627 236 L HA 0.155 4.502 4.340 0.013 0.000 0.233 236 L C 1.148 178.033 176.870 0.025 0.000 1.144 236 L CA 0.634 55.487 54.840 0.023 0.000 0.892 236 L CB -0.679 41.392 42.059 0.022 0.000 1.039 236 L HN 0.488 nan 8.230 nan 0.000 0.442 237 N N 0.131 118.849 118.700 0.031 0.000 2.741 237 N HA -0.197 4.551 4.740 0.013 0.000 0.250 237 N C -0.299 175.233 175.510 0.037 0.000 1.115 237 N CA 0.551 53.625 53.050 0.039 0.000 0.724 237 N CB -1.190 37.321 38.487 0.040 0.000 1.090 237 N HN 0.266 nan 8.380 nan 0.000 0.558 238 I N 0.039 120.626 120.570 0.028 0.000 2.371 238 I HA 0.208 4.385 4.170 0.013 0.000 0.290 238 I C 0.610 176.736 176.117 0.015 0.000 1.028 238 I CA -0.344 60.964 61.300 0.013 0.000 1.345 238 I CB 0.974 38.980 38.000 0.011 0.000 1.407 238 I HN 0.223 nan 8.210 nan 0.000 0.501 239 C N 6.474 125.779 119.300 0.008 0.000 2.563 239 C HA 0.414 4.881 4.460 0.013 0.000 0.314 239 C C 1.568 176.543 174.990 -0.025 0.000 1.199 239 C CA -0.531 58.504 59.018 0.029 0.000 1.564 239 C CB 1.326 29.127 27.740 0.102 0.000 2.173 239 C HN 0.736 nan 8.230 nan 0.000 0.485 240 V N 1.718 121.601 119.914 -0.052 0.000 2.515 240 V HA 0.077 4.204 4.120 0.013 0.000 0.250 240 V C 0.632 176.677 176.094 -0.081 0.000 1.058 240 V CA 1.168 63.351 62.300 -0.194 0.000 1.064 240 V CB -1.144 30.466 31.823 -0.355 0.000 0.675 240 V HN 0.678 nan 8.190 nan 0.000 0.461 241 F N 1.791 121.827 119.950 0.144 0.000 2.427 241 F HA 0.521 5.055 4.527 0.012 0.000 0.352 241 F C -2.084 173.762 175.800 0.076 0.000 1.100 241 F CA -2.754 55.330 58.000 0.140 0.000 1.191 241 F CB 0.025 39.039 39.000 0.023 0.000 1.128 241 F HN -0.054 nan 8.300 nan 0.000 0.533 242 P HA 0.015 nan 4.420 nan 0.000 0.260 242 P C 0.718 178.110 177.300 0.153 0.000 1.207 242 P CA 0.183 63.363 63.100 0.133 0.000 0.780 242 P CB 0.412 32.175 31.700 0.105 0.000 0.789 243 R N 3.758 124.336 120.500 0.130 0.000 2.127 243 R HA -0.248 4.099 4.340 0.013 0.000 0.238 243 R C 1.816 178.189 176.300 0.122 0.000 1.134 243 R CA 1.696 57.880 56.100 0.141 0.000 0.975 243 R CB -0.158 30.207 30.300 0.108 0.000 0.865 243 R HN 0.354 nan 8.270 nan 0.000 0.447 244 E N -0.190 120.065 120.200 0.091 0.000 2.086 244 E HA -0.204 4.153 4.350 0.013 0.000 0.200 244 E C 1.636 178.302 176.600 0.110 0.000 1.012 244 E CA 2.303 58.748 56.400 0.076 0.000 0.812 244 E CB -0.077 29.647 29.700 0.040 0.000 0.743 244 E HN 0.230 nan 8.360 nan 0.000 0.453 245 V N 0.046 120.033 119.914 0.122 0.000 2.500 245 V HA -0.153 3.974 4.120 0.013 0.000 0.243 245 V C 2.553 178.775 176.094 0.213 0.000 1.039 245 V CA 1.741 64.136 62.300 0.159 0.000 1.053 245 V CB -0.736 31.157 31.823 0.116 0.000 0.695 245 V HN 0.599 nan 8.190 nan 0.000 0.463 246 T N -1.689 112.984 114.554 0.198 0.000 2.788 246 T HA -0.230 4.128 4.350 0.013 0.000 0.268 246 T C 1.582 176.383 174.700 0.168 0.000 1.044 246 T CA 2.083 64.316 62.100 0.222 0.000 1.139 246 T CB -0.720 68.339 68.868 0.318 0.000 0.867 246 T HN 0.548 nan 8.240 nan 0.000 0.454 247 N N 0.355 119.144 118.700 0.148 0.000 2.028 247 N HA -0.034 4.714 4.740 0.013 0.000 0.194 247 N C 1.544 177.107 175.510 0.088 0.000 1.050 247 N CA 1.408 54.509 53.050 0.085 0.000 0.848 247 N CB -0.372 38.171 38.487 0.094 0.000 1.038 247 N HN 0.319 nan 8.380 nan 0.000 0.423 248 F N 2.194 122.158 119.950 0.023 0.000 2.045 248 F HA -0.250 4.285 4.527 0.013 0.000 0.297 248 F C 1.889 177.715 175.800 0.043 0.000 1.114 248 F CA 1.586 59.604 58.000 0.029 0.000 1.207 248 F CB -0.603 38.410 39.000 0.022 0.000 0.964 248 F HN 0.008 nan 8.300 nan 0.000 0.486 249 L N -0.425 120.701 121.223 -0.162 0.000 2.141 249 L HA -0.164 4.183 4.340 0.013 0.000 0.209 249 L C 2.605 179.372 176.870 -0.173 0.000 1.094 249 L CA 1.387 56.090 54.840 -0.228 0.000 0.763 249 L CB -0.715 41.337 42.059 -0.012 0.000 0.908 249 L HN 0.116 nan 8.230 nan 0.000 0.437 250 R N 0.576 121.006 120.500 -0.117 0.000 2.081 250 R HA -0.178 4.170 4.340 0.013 0.000 0.235 250 R C 2.212 178.413 176.300 -0.166 0.000 1.131 250 R CA 1.498 57.510 56.100 -0.146 0.000 0.960 250 R CB 0.067 30.254 30.300 -0.188 0.000 0.856 250 R HN 0.077 nan 8.270 nan 0.000 0.436 251 K N -0.697 119.598 120.400 -0.176 0.000 2.076 251 K HA 0.107 4.434 4.320 0.013 0.000 0.204 251 K C 2.055 178.530 176.600 -0.208 0.000 1.051 251 K CA 1.429 57.616 56.287 -0.166 0.000 0.949 251 K CB -0.021 32.405 32.500 -0.122 0.000 0.726 251 K HN 0.006 nan 8.250 nan 0.000 0.443 252 S N 0.214 115.720 115.700 -0.323 0.000 2.368 252 S HA -0.117 4.360 4.470 0.013 0.000 0.225 252 S C 1.984 176.458 174.600 -0.211 0.000 1.030 252 S CA 1.327 59.347 58.200 -0.299 0.000 0.999 252 S CB -0.294 62.672 63.200 -0.389 0.000 0.844 252 S HN 0.014 nan 8.310 nan 0.000 0.459 253 V N 1.720 121.523 119.914 -0.185 0.000 2.358 253 V HA -0.151 3.977 4.120 0.013 0.000 0.246 253 V C 2.382 178.358 176.094 -0.197 0.000 1.047 253 V CA 1.678 63.866 62.300 -0.188 0.000 1.035 253 V CB -0.592 31.150 31.823 -0.135 0.000 0.658 253 V HN 0.291 nan 8.190 nan 0.000 0.452 254 K N 1.316 121.618 120.400 -0.163 0.000 2.000 254 K HA -0.250 4.078 4.320 0.013 0.000 0.218 254 K C 2.301 178.821 176.600 -0.134 0.000 1.053 254 K CA 2.386 58.591 56.287 -0.137 0.000 0.946 254 K CB -0.474 31.954 32.500 -0.120 0.000 0.723 254 K HN 0.644 nan 8.250 nan 0.000 0.446 255 R N 0.629 121.050 120.500 -0.131 0.000 2.075 255 R HA -0.142 4.206 4.340 0.013 0.000 0.230 255 R C 2.486 178.708 176.300 -0.130 0.000 1.140 255 R CA 2.078 58.113 56.100 -0.109 0.000 0.928 255 R CB -1.061 29.185 30.300 -0.090 0.000 0.834 255 R HN 0.411 nan 8.270 nan 0.000 0.429 256 M N 0.587 120.072 119.600 -0.191 0.000 2.267 256 M HA -0.046 4.441 4.480 0.013 0.000 0.263 256 M C 2.204 178.279 176.300 -0.375 0.000 1.063 256 M CA 2.024 57.166 55.300 -0.264 0.000 1.090 256 M CB -0.392 31.959 32.600 -0.416 0.000 1.392 256 M HN 0.172 nan 8.290 nan 0.000 0.422 257 K N 0.291 120.489 120.400 -0.337 0.000 2.283 257 K HA -0.097 4.231 4.320 0.013 0.000 0.202 257 K C 1.188 177.721 176.600 -0.113 0.000 1.048 257 K CA 1.213 57.344 56.287 -0.260 0.000 0.948 257 K CB 0.311 32.696 32.500 -0.193 0.000 0.742 257 K HN 0.489 nan 8.250 nan 0.000 0.458 258 E N -0.370 119.776 120.200 -0.090 0.000 2.720 258 E HA -0.057 4.301 4.350 0.013 0.000 0.260 258 E C 1.596 178.189 176.600 -0.012 0.000 0.967 258 E CA 0.757 57.133 56.400 -0.040 0.000 1.055 258 E CB -1.149 28.525 29.700 -0.044 0.000 2.411 258 E HN 0.162 nan 8.360 nan 0.000 0.570 259 S N 1.853 117.541 115.700 -0.019 0.000 2.513 259 S HA -0.375 4.103 4.470 0.013 0.000 0.311 259 S C 1.731 176.352 174.600 0.035 0.000 1.227 259 S CA 2.375 60.575 58.200 -0.000 0.000 1.234 259 S CB -0.515 62.676 63.200 -0.014 0.000 1.244 259 S HN 0.258 nan 8.310 nan 0.000 0.445 260 R N 0.599 121.142 120.500 0.071 0.000 1.167 260 R HA 0.249 4.597 4.340 0.013 0.000 0.087 260 R C 2.242 178.635 176.300 0.155 0.000 0.646 260 R CA 0.931 57.126 56.100 0.158 0.000 1.985 260 R CB -1.020 29.506 30.300 0.377 0.000 0.553 260 R HN 0.389 nan 8.270 nan 0.000 0.746 261 L N 2.328 123.709 121.223 0.263 0.000 2.661 261 L HA -0.119 4.228 4.340 0.013 0.000 0.236 261 L C 0.993 177.923 176.870 0.101 0.000 1.176 261 L CA 0.719 55.670 54.840 0.184 0.000 0.836 261 L CB -0.489 41.734 42.059 0.273 0.000 0.960 261 L HN 0.308 nan 8.230 nan 0.000 0.455 262 E N 0.599 120.843 120.200 0.073 0.000 2.301 262 E HA -0.058 4.300 4.350 0.013 0.000 0.195 262 E C 0.618 177.236 176.600 0.029 0.000 1.171 262 E CA 0.239 56.660 56.400 0.036 0.000 1.142 262 E CB 0.035 29.746 29.700 0.017 0.000 1.218 262 E HN 0.648 nan 8.360 nan 0.000 0.448 263 D N -2.671 117.752 120.400 0.038 0.000 2.448 263 D HA 0.006 4.653 4.640 0.013 0.000 0.256 263 D C 0.401 176.716 176.300 0.025 0.000 1.108 263 D CA 0.209 54.226 54.000 0.027 0.000 0.848 263 D CB 0.311 41.128 40.800 0.029 0.000 1.281 263 D HN -0.109 nan 8.370 nan 0.000 0.509 264 T N -0.203 114.371 114.554 0.033 0.000 0.541 264 T HA -0.240 4.118 4.350 0.013 0.000 0.774 264 T C -0.336 174.379 174.700 0.025 0.000 0.992 264 T CA 0.382 62.499 62.100 0.027 0.000 4.077 264 T CB -1.270 67.608 68.868 0.017 0.000 2.303 264 T HN 0.624 nan 8.240 nan 0.000 0.398 265 Q N 1.426 121.239 119.800 0.021 0.000 2.398 265 Q HA -0.117 4.230 4.340 0.013 0.000 0.355 265 Q C -1.030 174.977 176.000 0.012 0.000 1.334 265 Q CA 1.732 57.545 55.803 0.015 0.000 0.993 265 Q CB -1.329 27.414 28.738 0.008 0.000 1.112 265 Q HN 0.816 nan 8.270 nan 0.000 0.305 266 K N 0.697 121.108 120.400 0.018 0.000 4.097 266 K HA -0.150 4.178 4.320 0.013 0.000 0.961 266 K C -1.047 175.560 176.600 0.012 0.000 1.653 266 K CA 0.798 57.081 56.287 -0.006 0.000 1.295 266 K CB -1.500 30.982 32.500 -0.031 0.000 3.097 266 K HN 0.939 nan 8.250 nan 0.000 0.153 267 H N 0.965 119.976 119.070 -0.098 0.000 2.895 267 H HA 0.688 5.252 4.556 0.013 0.000 0.373 267 H C -1.173 174.057 175.328 -0.163 0.000 1.174 267 H CA -0.946 55.013 56.048 -0.148 0.000 1.144 267 H CB 1.563 31.267 29.762 -0.095 0.000 1.793 267 H HN 0.431 nan 8.280 nan 0.000 0.551 268 R N 3.111 123.268 120.500 -0.573 0.000 2.320 268 R HA 0.277 4.625 4.340 0.013 0.000 0.319 268 R C -0.687 175.328 176.300 -0.475 0.000 0.969 268 R CA -1.050 54.698 56.100 -0.588 0.000 0.857 268 R CB 1.836 31.943 30.300 -0.321 0.000 1.160 268 R HN 0.572 nan 8.270 nan 0.000 0.491 269 V N 5.417 124.989 119.914 -0.570 0.000 2.668 269 V HA -0.165 3.962 4.120 0.013 0.000 0.223 269 V C -0.489 175.541 176.094 -0.108 0.000 1.194 269 V CA 0.801 63.044 62.300 -0.095 0.000 1.338 269 V CB -1.415 30.338 31.823 -0.116 0.000 1.270 269 V HN 0.680 nan 8.190 nan 0.000 0.494 270 D N 2.414 122.795 120.400 -0.032 0.000 2.442 270 D HA 0.316 4.964 4.640 0.013 0.000 0.254 270 D C 0.625 176.849 176.300 -0.127 0.000 1.069 270 D CA -0.742 53.175 54.000 -0.138 0.000 1.017 270 D CB 0.493 41.317 40.800 0.041 0.000 1.172 270 D HN 0.087 nan 8.370 nan 0.000 0.561 271 F N -0.681 119.305 119.950 0.061 0.000 2.102 271 F HA -0.053 4.482 4.527 0.013 0.000 0.298 271 F C 2.194 178.065 175.800 0.118 0.000 1.105 271 F CA 0.583 58.594 58.000 0.019 0.000 1.239 271 F CB -0.742 38.259 39.000 0.001 0.000 0.991 271 F HN 0.263 nan 8.300 nan 0.000 0.474 272 L N 0.231 121.667 121.223 0.355 0.000 1.990 272 L HA -0.239 4.109 4.340 0.013 0.000 0.213 272 L C 2.367 179.375 176.870 0.229 0.000 1.072 272 L CA 1.937 56.931 54.840 0.257 0.000 0.755 272 L CB -1.182 41.004 42.059 0.212 0.000 0.889 272 L HN 0.117 nan 8.230 nan 0.000 0.432 273 Q N -0.396 119.597 119.800 0.321 0.000 2.061 273 Q HA -0.170 4.177 4.340 0.013 0.000 0.204 273 Q C 2.416 178.453 176.000 0.062 0.000 0.984 273 Q CA 2.064 57.993 55.803 0.209 0.000 0.846 273 Q CB -0.510 28.344 28.738 0.193 0.000 0.902 273 Q HN 0.591 nan 8.270 nan 0.000 0.421 274 L N -0.181 121.092 121.223 0.084 0.000 2.127 274 L HA -0.181 4.166 4.340 0.013 0.000 0.211 274 L C 2.428 179.342 176.870 0.072 0.000 1.089 274 L CA 0.869 55.738 54.840 0.048 0.000 0.757 274 L CB -0.287 41.794 42.059 0.036 0.000 0.899 274 L HN 0.274 nan 8.230 nan 0.000 0.434 275 M N -1.279 118.391 119.600 0.116 0.000 2.287 275 M HA -0.115 4.372 4.480 0.013 0.000 0.266 275 M C 2.243 178.578 176.300 0.060 0.000 1.079 275 M CA 1.491 56.857 55.300 0.109 0.000 1.146 275 M CB -0.157 32.529 32.600 0.142 0.000 1.374 275 M HN 0.190 nan 8.290 nan 0.000 0.435 276 I N 0.616 121.216 120.570 0.050 0.000 2.133 276 I HA -0.295 3.882 4.170 0.013 0.000 0.238 276 I C 2.002 178.120 176.117 0.002 0.000 1.074 276 I CA 1.306 62.618 61.300 0.020 0.000 1.342 276 I CB -0.430 37.588 38.000 0.030 0.000 1.053 276 I HN 0.262 nan 8.210 nan 0.000 0.404 277 D N 0.609 120.997 120.400 -0.019 0.000 2.144 277 D HA -0.150 4.497 4.640 0.013 0.000 0.199 277 D C 2.329 178.620 176.300 -0.015 0.000 0.984 277 D CA 1.833 55.808 54.000 -0.041 0.000 0.834 277 D CB -0.160 40.581 40.800 -0.098 0.000 0.955 277 D HN 0.369 nan 8.370 nan 0.000 0.465 278 S N 0.391 116.094 115.700 0.005 0.000 2.400 278 S HA -0.239 4.239 4.470 0.013 0.000 0.232 278 S C 1.964 176.574 174.600 0.018 0.000 1.025 278 S CA 0.986 59.198 58.200 0.020 0.000 0.993 278 S CB -0.371 62.856 63.200 0.045 0.000 0.808 278 S HN 0.263 nan 8.310 nan 0.000 0.478 279 Q N 1.659 121.468 119.800 0.015 0.000 1.967 279 Q HA 0.010 4.357 4.340 0.013 0.000 0.202 279 Q C 0.153 176.155 176.000 0.003 0.000 0.985 279 Q CA 1.039 56.849 55.803 0.011 0.000 0.839 279 Q CB -0.190 28.551 28.738 0.006 0.000 0.906 279 Q HN 0.561 nan 8.270 nan 0.000 0.423 280 N N 2.119 120.817 118.700 -0.003 0.000 2.670 280 N HA -0.019 4.729 4.740 0.013 0.000 0.296 280 N C -0.486 175.020 175.510 -0.007 0.000 1.216 280 N CA 0.820 53.866 53.050 -0.007 0.000 1.123 280 N CB -0.368 38.112 38.487 -0.012 0.000 1.459 280 N HN 0.373 nan 8.380 nan 0.000 0.509 287 H N 3.023 122.079 119.070 -0.023 0.000 3.157 287 H HA 0.565 5.125 4.556 0.006 0.000 0.299 287 H C 0.069 175.387 175.328 -0.017 0.000 0.961 287 H CA 0.700 56.736 56.048 -0.020 0.000 1.428 287 H CB -0.325 29.422 29.762 -0.026 0.000 1.459 287 H HN 0.717 nan 8.280 nan 0.000 0.566 288 K N 1.103 121.581 120.400 0.130 0.000 2.152 288 K HA 0.795 5.122 4.320 0.013 0.000 0.257 288 K C -1.030 175.604 176.600 0.056 0.000 0.961 288 K CA -1.380 54.961 56.287 0.089 0.000 0.816 288 K CB 0.500 33.028 32.500 0.048 0.000 1.501 288 K HN 1.019 nan 8.250 nan 0.000 0.417 289 A N 0.365 123.209 122.820 0.039 0.000 2.102 289 A HA -0.048 4.280 4.320 0.013 0.000 0.249 289 A C -0.701 176.896 177.584 0.022 0.000 1.348 289 A CA -0.171 51.881 52.037 0.025 0.000 0.694 289 A CB -2.021 16.991 19.000 0.019 0.000 1.175 289 A HN 0.525 nan 8.150 nan 0.000 0.287 290 L N 2.202 123.439 121.223 0.023 0.000 2.369 290 L HA 0.287 4.635 4.340 0.013 0.000 0.279 290 L C 1.346 178.220 176.870 0.007 0.000 1.108 290 L CA 0.415 55.266 54.840 0.019 0.000 0.852 290 L CB 1.349 43.424 42.059 0.028 0.000 1.169 290 L HN 0.941 nan 8.230 nan 0.000 0.452 291 S N 2.215 117.917 115.700 0.004 0.000 2.546 291 S HA -0.068 4.410 4.470 0.013 0.000 0.290 291 S C 1.023 175.614 174.600 -0.016 0.000 1.290 291 S CA -0.649 57.547 58.200 -0.005 0.000 1.069 291 S CB 0.372 63.572 63.200 -0.001 0.000 0.846 291 S HN 0.616 nan 8.310 nan 0.000 0.495 292 D N 3.626 124.008 120.400 -0.030 0.000 2.239 292 D HA -0.131 4.516 4.640 0.013 0.000 0.202 292 D C 1.514 177.777 176.300 -0.061 0.000 0.993 292 D CA 0.873 54.845 54.000 -0.047 0.000 0.874 292 D CB -0.116 40.648 40.800 -0.060 0.000 0.922 292 D HN 0.456 nan 8.370 nan 0.000 0.464 293 L N 0.773 121.961 121.223 -0.060 0.000 2.095 293 L HA -0.034 4.313 4.340 0.013 0.000 0.204 293 L C 1.926 178.813 176.870 0.028 0.000 1.080 293 L CA 1.493 56.287 54.840 -0.077 0.000 0.759 293 L CB -0.393 41.616 42.059 -0.084 0.000 0.914 293 L HN -0.053 nan 8.230 nan 0.000 0.439 294 E N -0.312 119.906 120.200 0.030 0.000 2.012 294 E HA -0.309 4.048 4.350 0.013 0.000 0.197 294 E C 2.214 178.817 176.600 0.005 0.000 1.007 294 E CA 1.769 58.190 56.400 0.035 0.000 0.816 294 E CB -0.578 29.132 29.700 0.016 0.000 0.762 294 E HN 0.503 nan 8.360 nan 0.000 0.451 295 L N 1.201 122.418 121.223 -0.009 0.000 2.064 295 L HA -0.265 4.083 4.340 0.013 0.000 0.216 295 L C 2.368 179.215 176.870 -0.038 0.000 1.077 295 L CA 1.364 56.191 54.840 -0.021 0.000 0.766 295 L CB -0.220 41.834 42.059 -0.010 0.000 0.890 295 L HN 0.029 nan 8.230 nan 0.000 0.435 296 V N 0.129 120.032 119.914 -0.018 0.000 2.407 296 V HA -0.263 3.864 4.120 0.013 0.000 0.248 296 V C 2.821 178.945 176.094 0.051 0.000 1.055 296 V CA 1.605 63.904 62.300 -0.002 0.000 1.049 296 V CB -0.984 30.814 31.823 -0.041 0.000 0.662 296 V HN 0.641 nan 8.190 nan 0.000 0.455 297 A N -0.628 122.255 122.820 0.105 0.000 1.898 297 A HA -0.202 4.126 4.320 0.013 0.000 0.216 297 A C 2.201 179.644 177.584 -0.235 0.000 1.181 297 A CA 1.403 53.430 52.037 -0.017 0.000 0.620 297 A CB -0.384 18.602 19.000 -0.023 0.000 0.819 297 A HN 0.512 nan 8.150 nan 0.000 0.442 298 Q N 0.412 120.041 119.800 -0.285 0.000 2.020 298 Q HA -0.110 4.238 4.340 0.013 0.000 0.202 298 Q C 2.434 177.919 176.000 -0.858 0.000 0.982 298 Q CA 1.874 57.279 55.803 -0.663 0.000 0.838 298 Q CB -1.108 27.295 28.738 -0.557 0.000 0.899 298 Q HN 0.624 nan 8.270 nan 0.000 0.423 299 S N 1.098 116.577 115.700 -0.369 0.000 2.365 299 S HA -0.138 4.340 4.470 0.013 0.000 0.225 299 S C 2.097 176.652 174.600 -0.075 0.000 1.039 299 S CA 1.200 59.335 58.200 -0.109 0.000 1.033 299 S CB -0.359 62.852 63.200 0.018 0.000 0.887 299 S HN 0.296 nan 8.310 nan 0.000 0.447 300 I N 0.391 120.894 120.570 -0.112 0.000 2.226 300 I HA -0.160 4.017 4.170 0.013 0.000 0.245 300 I C 2.241 178.325 176.117 -0.055 0.000 1.100 300 I CA 0.953 62.208 61.300 -0.074 0.000 1.374 300 I CB -0.244 37.673 38.000 -0.138 0.000 1.057 300 I HN 0.219 nan 8.210 nan 0.000 0.413 301 I N 0.277 120.741 120.570 -0.178 0.000 2.315 301 I HA -0.267 3.910 4.170 0.013 0.000 0.248 301 I C 2.012 178.242 176.117 0.189 0.000 1.117 301 I CA 1.578 62.860 61.300 -0.030 0.000 1.404 301 I CB -0.329 37.586 38.000 -0.141 0.000 1.071 301 I HN 0.003 nan 8.210 nan 0.000 0.419 302 F N 0.270 120.239 119.950 0.032 0.000 2.216 302 F HA -0.142 4.391 4.527 0.011 0.000 0.300 302 F C 2.399 178.199 175.800 -0.001 0.000 1.085 302 F CA 1.090 59.065 58.000 -0.042 0.000 1.326 302 F CB -1.103 37.789 39.000 -0.180 0.000 1.027 302 F HN 0.062 nan 8.300 nan 0.000 0.497 303 I N -1.450 119.265 120.570 0.243 0.000 2.233 303 I HA -0.302 3.876 4.170 0.013 0.000 0.243 303 I C 2.456 178.723 176.117 0.250 0.000 1.093 303 I CA 1.162 62.575 61.300 0.190 0.000 1.380 303 I CB -0.544 37.533 38.000 0.129 0.000 1.067 303 I HN 0.020 nan 8.210 nan 0.000 0.413 304 F N 1.958 121.971 119.950 0.106 0.000 2.171 304 F HA -0.203 4.331 4.527 0.012 0.000 0.300 304 F C 2.406 178.260 175.800 0.091 0.000 1.090 304 F CA 1.470 59.534 58.000 0.107 0.000 1.293 304 F CB -0.206 38.876 39.000 0.137 0.000 1.013 304 F HN -0.014 nan 8.300 nan 0.000 0.486 305 A N -0.379 122.555 122.820 0.190 0.000 1.968 305 A HA 0.110 4.438 4.320 0.013 0.000 0.217 305 A C 2.299 179.895 177.584 0.020 0.000 1.169 305 A CA 1.388 53.460 52.037 0.058 0.000 0.638 305 A CB -1.406 17.691 19.000 0.162 0.000 0.812 305 A HN 0.488 nan 8.150 nan 0.000 0.446 306 G N -2.835 106.015 108.800 0.083 0.000 2.850 306 G HA2 0.098 4.065 3.960 0.013 0.000 0.211 306 G HA3 0.098 4.065 3.960 0.013 0.000 0.211 306 G C 1.250 176.245 174.900 0.158 0.000 1.124 306 G CA 0.581 45.749 45.100 0.113 0.000 0.769 306 G HN 0.539 nan 8.290 nan 0.000 0.535 307 Y N 0.989 121.285 120.300 -0.006 0.000 2.060 307 Y HA -0.080 4.478 4.550 0.012 0.000 0.276 307 Y C 2.630 178.512 175.900 -0.029 0.000 1.127 307 Y CA 1.983 60.079 58.100 -0.006 0.000 1.104 307 Y CB 0.199 38.651 38.460 -0.013 0.000 0.983 307 Y HN 0.264 nan 8.280 nan 0.000 0.483 308 E N -0.536 119.421 120.200 -0.406 0.000 2.285 308 E HA -0.115 4.243 4.350 0.013 0.000 0.194 308 E C 1.934 178.376 176.600 -0.265 0.000 0.997 308 E CA 1.258 57.352 56.400 -0.509 0.000 0.845 308 E CB 0.014 29.422 29.700 -0.486 0.000 0.782 308 E HN 0.688 nan 8.360 nan 0.000 0.491 309 T N -2.083 112.368 114.554 -0.172 0.000 2.668 309 T HA -0.146 4.212 4.350 0.013 0.000 0.262 309 T C 2.006 176.679 174.700 -0.046 0.000 1.045 309 T CA 1.707 63.747 62.100 -0.100 0.000 1.152 309 T CB -0.936 67.894 68.868 -0.064 0.000 0.864 309 T HN -0.013 nan 8.240 nan 0.000 0.419 310 T N 1.994 116.557 114.554 0.014 0.000 2.665 310 T HA -0.155 4.202 4.350 0.013 0.000 0.268 310 T C 2.339 177.030 174.700 -0.014 0.000 1.035 310 T CA 1.807 63.942 62.100 0.058 0.000 1.151 310 T CB -0.843 68.122 68.868 0.161 0.000 0.862 310 T HN 0.552 nan 8.240 nan 0.000 0.438 311 S N 0.660 116.344 115.700 -0.027 0.000 2.368 311 S HA -0.134 4.343 4.470 0.013 0.000 0.225 311 S C 2.352 176.857 174.600 -0.159 0.000 1.030 311 S CA 1.754 59.928 58.200 -0.043 0.000 0.999 311 S CB -0.535 62.627 63.200 -0.062 0.000 0.844 311 S HN 0.427 nan 8.310 nan 0.000 0.459 312 S N 0.508 116.096 115.700 -0.186 0.000 2.383 312 S HA -0.036 4.441 4.470 0.013 0.000 0.227 312 S C 1.878 176.355 174.600 -0.204 0.000 1.026 312 S CA 1.292 59.333 58.200 -0.265 0.000 0.981 312 S CB -0.424 62.675 63.200 -0.170 0.000 0.818 312 S HN 0.432 nan 8.310 nan 0.000 0.472 313 V N 2.106 121.985 119.914 -0.059 0.000 2.307 313 V HA -0.123 4.004 4.120 0.013 0.000 0.245 313 V C 2.186 178.203 176.094 -0.128 0.000 1.045 313 V CA 1.422 63.742 62.300 0.033 0.000 1.024 313 V CB -0.721 31.112 31.823 0.015 0.000 0.651 313 V HN 0.406 nan 8.190 nan 0.000 0.449 314 L N -0.068 120.961 121.223 -0.324 0.000 2.043 314 L HA -0.213 4.134 4.340 0.013 0.000 0.212 314 L C 2.620 179.073 176.870 -0.696 0.000 1.075 314 L CA 1.817 56.247 54.840 -0.683 0.000 0.752 314 L CB -0.609 40.689 42.059 -1.268 0.000 0.891 314 L HN 0.317 nan 8.230 nan 0.000 0.432 315 S N -0.700 114.704 115.700 -0.494 0.000 2.368 315 S HA -0.107 4.371 4.470 0.013 0.000 0.224 315 S C 1.787 176.219 174.600 -0.280 0.000 1.029 315 S CA 1.181 59.218 58.200 -0.270 0.000 0.988 315 S CB -0.346 62.681 63.200 -0.288 0.000 0.838 315 S HN 0.263 nan 8.310 nan 0.000 0.462 316 F N 1.566 121.352 119.950 -0.273 0.000 2.102 316 F HA -0.081 4.453 4.527 0.012 0.000 0.298 316 F C 2.129 177.806 175.800 -0.204 0.000 1.105 316 F CA 0.911 58.704 58.000 -0.345 0.000 1.239 316 F CB -0.433 38.287 39.000 -0.466 0.000 0.991 316 F HN 0.143 nan 8.300 nan 0.000 0.474 317 I N -0.595 119.964 120.570 -0.019 0.000 2.163 317 I HA -0.345 3.832 4.170 0.013 0.000 0.243 317 I C 2.310 178.337 176.117 -0.150 0.000 1.085 317 I CA 1.032 62.274 61.300 -0.096 0.000 1.347 317 I CB -0.383 37.545 38.000 -0.119 0.000 1.044 317 I HN 0.151 nan 8.210 nan 0.000 0.408 318 M N -0.501 118.998 119.600 -0.168 0.000 2.213 318 M HA -0.216 4.272 4.480 0.013 0.000 0.263 318 M C 2.358 178.596 176.300 -0.103 0.000 1.062 318 M CA 1.684 56.869 55.300 -0.192 0.000 1.105 318 M CB -1.429 31.043 32.600 -0.214 0.000 1.385 318 M HN 0.280 nan 8.290 nan 0.000 0.417 319 Y N 1.827 122.035 120.300 -0.152 0.000 2.163 319 Y HA -0.190 4.367 4.550 0.013 0.000 0.288 319 Y C 2.194 178.026 175.900 -0.112 0.000 1.136 319 Y CA 1.702 59.739 58.100 -0.104 0.000 1.147 319 Y CB -0.033 38.362 38.460 -0.109 0.000 0.987 319 Y HN 0.187 nan 8.280 nan 0.000 0.509 320 E N 0.640 120.703 120.200 -0.228 0.000 2.051 320 E HA -0.198 4.159 4.350 0.013 0.000 0.192 320 E C 2.368 178.734 176.600 -0.390 0.000 0.991 320 E CA 1.551 57.594 56.400 -0.596 0.000 0.799 320 E CB -0.706 28.167 29.700 -1.378 0.000 0.748 320 E HN 0.554 nan 8.360 nan 0.000 0.449 321 L N 0.459 121.540 121.223 -0.236 0.000 2.079 321 L HA -0.172 4.175 4.340 0.013 0.000 0.210 321 L C 2.491 179.375 176.870 0.023 0.000 1.081 321 L CA 1.180 56.003 54.840 -0.028 0.000 0.752 321 L CB -0.541 41.512 42.059 -0.010 0.000 0.896 321 L HN 0.071 nan 8.230 nan 0.000 0.433 322 A N -0.029 122.759 122.820 -0.054 0.000 1.929 322 A HA -0.150 4.177 4.320 0.013 0.000 0.216 322 A C 2.282 179.820 177.584 -0.076 0.000 1.176 322 A CA 1.832 53.855 52.037 -0.025 0.000 0.628 322 A CB -0.721 18.258 19.000 -0.035 0.000 0.816 322 A HN 0.489 nan 8.150 nan 0.000 0.444 323 T N -3.795 110.656 114.554 -0.171 0.000 3.129 323 T HA 0.133 4.490 4.350 0.013 0.000 0.251 323 T C -0.011 174.610 174.700 -0.132 0.000 1.117 323 T CA 0.618 62.615 62.100 -0.173 0.000 1.034 323 T CB -0.401 68.268 68.868 -0.332 0.000 0.968 323 T HN 0.461 nan 8.240 nan 0.000 0.526 324 H N 0.369 119.417 119.070 -0.036 0.000 2.429 324 H HA 0.366 4.930 4.556 0.013 0.000 0.231 324 H C -2.303 173.081 175.328 0.093 0.000 1.416 324 H CA -2.091 54.003 56.048 0.077 0.000 1.443 324 H CB 1.107 30.993 29.762 0.206 0.000 1.591 324 H HN 0.074 nan 8.280 nan 0.000 0.507 325 P HA -0.262 nan 4.420 nan 0.000 0.217 325 P C 1.501 178.883 177.300 0.136 0.000 1.158 325 P CA 1.859 65.026 63.100 0.112 0.000 0.887 325 P CB 0.423 32.161 31.700 0.064 0.000 0.792 326 D N -0.637 119.845 120.400 0.138 0.000 2.104 326 D HA -0.136 4.511 4.640 0.013 0.000 0.194 326 D C 1.859 178.268 176.300 0.181 0.000 0.994 326 D CA 1.353 55.431 54.000 0.131 0.000 0.830 326 D CB -1.272 39.598 40.800 0.116 0.000 0.959 326 D HN 0.057 nan 8.370 nan 0.000 0.452 327 V N 1.063 121.141 119.914 0.273 0.000 2.295 327 V HA -0.288 3.839 4.120 0.013 0.000 0.246 327 V C 2.958 179.258 176.094 0.343 0.000 1.049 327 V CA 2.147 64.678 62.300 0.386 0.000 1.024 327 V CB -0.964 31.108 31.823 0.415 0.000 0.648 327 V HN 0.255 nan 8.190 nan 0.000 0.447 328 Q N -0.199 119.751 119.800 0.251 0.000 2.045 328 Q HA -0.331 4.017 4.340 0.013 0.000 0.206 328 Q C 2.404 178.512 176.000 0.180 0.000 0.991 328 Q CA 2.551 58.476 55.803 0.202 0.000 0.851 328 Q CB -0.247 28.595 28.738 0.172 0.000 0.911 328 Q HN 0.735 nan 8.270 nan 0.000 0.418 329 Q N 0.314 120.201 119.800 0.145 0.000 2.030 329 Q HA -0.269 4.078 4.340 0.013 0.000 0.204 329 Q C 2.090 178.138 176.000 0.079 0.000 0.986 329 Q CA 2.047 57.909 55.803 0.098 0.000 0.843 329 Q CB -0.145 28.635 28.738 0.069 0.000 0.904 329 Q HN 0.276 nan 8.270 nan 0.000 0.420 330 K N -0.171 120.268 120.400 0.065 0.000 2.063 330 K HA -0.206 4.122 4.320 0.013 0.000 0.208 330 K C 2.105 178.724 176.600 0.032 0.000 1.048 330 K CA 1.309 57.563 56.287 -0.055 0.000 0.928 330 K CB -0.236 32.092 32.500 -0.288 0.000 0.713 330 K HN 0.244 nan 8.250 nan 0.000 0.442 331 L N 1.753 123.128 121.223 0.254 0.000 2.046 331 L HA -0.168 4.179 4.340 0.013 0.000 0.208 331 L C 2.015 178.981 176.870 0.161 0.000 1.077 331 L CA 1.746 56.773 54.840 0.310 0.000 0.747 331 L CB -0.678 41.555 42.059 0.290 0.000 0.896 331 L HN 0.276 nan 8.230 nan 0.000 0.432 332 Q N -0.664 119.214 119.800 0.130 0.000 2.170 332 Q HA -0.207 4.140 4.340 0.013 0.000 0.203 332 Q C 2.034 178.070 176.000 0.060 0.000 0.976 332 Q CA 1.854 57.714 55.803 0.095 0.000 0.858 332 Q CB -0.066 28.728 28.738 0.094 0.000 0.907 332 Q HN 0.648 nan 8.270 nan 0.000 0.433 333 E N 0.537 120.762 120.200 0.042 0.000 2.107 333 E HA -0.205 4.152 4.350 0.013 0.000 0.191 333 E C 1.869 178.478 176.600 0.015 0.000 0.982 333 E CA 0.870 57.279 56.400 0.015 0.000 0.809 333 E CB 0.018 29.712 29.700 -0.010 0.000 0.756 333 E HN 0.361 nan 8.360 nan 0.000 0.459 334 E N 1.159 121.373 120.200 0.024 0.000 2.051 334 E HA -0.200 4.158 4.350 0.013 0.000 0.192 334 E C 2.088 178.712 176.600 0.040 0.000 0.991 334 E CA 0.888 57.306 56.400 0.031 0.000 0.799 334 E CB -0.040 29.698 29.700 0.063 0.000 0.748 334 E HN 0.186 nan 8.360 nan 0.000 0.449 335 I N 1.661 122.264 120.570 0.054 0.000 2.142 335 I HA -0.282 3.896 4.170 0.013 0.000 0.240 335 I C 2.030 178.166 176.117 0.032 0.000 1.078 335 I CA 1.447 62.776 61.300 0.047 0.000 1.343 335 I CB -0.290 37.745 38.000 0.059 0.000 1.046 335 I HN 0.108 nan 8.210 nan 0.000 0.405 336 D N 0.895 121.312 120.400 0.029 0.000 2.182 336 D HA -0.175 4.473 4.640 0.013 0.000 0.201 336 D C 2.176 178.484 176.300 0.013 0.000 0.986 336 D CA 1.528 55.539 54.000 0.018 0.000 0.847 336 D CB -0.173 40.636 40.800 0.015 0.000 0.942 336 D HN 0.411 nan 8.370 nan 0.000 0.467 337 A N 0.439 123.267 122.820 0.013 0.000 1.855 337 A HA -0.110 4.218 4.320 0.013 0.000 0.215 337 A C 2.447 180.037 177.584 0.010 0.000 1.191 337 A CA 1.268 53.310 52.037 0.008 0.000 0.613 337 A CB -0.685 18.318 19.000 0.005 0.000 0.829 337 A HN 0.153 nan 8.150 nan 0.000 0.442 338 V N -0.753 119.169 119.914 0.015 0.000 2.759 338 V HA -0.002 4.125 4.120 0.013 0.000 0.256 338 V C 0.796 176.898 176.094 0.014 0.000 1.080 338 V CA 1.063 63.371 62.300 0.014 0.000 1.101 338 V CB -0.801 31.032 31.823 0.017 0.000 0.698 338 V HN 0.427 nan 8.190 nan 0.000 0.477 339 L N 0.709 121.941 121.223 0.014 0.000 2.475 339 L HA 0.389 4.736 4.340 0.013 0.000 0.253 339 L C -2.760 174.115 176.870 0.009 0.000 1.483 339 L CA -1.515 53.333 54.840 0.013 0.000 0.869 339 L CB 1.515 43.584 42.059 0.016 0.000 1.086 339 L HN 0.060 nan 8.230 nan 0.000 0.514 340 P HA -0.088 nan 4.420 nan 0.000 0.263 340 P C 0.099 177.399 177.300 -0.001 0.000 1.175 340 P CA 0.398 63.499 63.100 0.003 0.000 0.761 340 P CB 0.296 31.997 31.700 0.002 0.000 0.794 341 N N 3.659 122.357 118.700 -0.004 0.000 2.556 341 N HA -0.245 4.503 4.740 0.013 0.000 0.288 341 N C -0.536 174.968 175.510 -0.010 0.000 1.226 341 N CA 0.915 53.959 53.050 -0.010 0.000 0.719 341 N CB -1.097 37.383 38.487 -0.011 0.000 0.923 341 N HN 0.429 nan 8.380 nan 0.000 0.544 342 K N -1.307 119.087 120.400 -0.011 0.000 3.100 342 K HA -0.252 4.076 4.320 0.013 0.000 0.261 342 K C 0.082 176.681 176.600 -0.002 0.000 0.920 342 K CA 0.904 57.185 56.287 -0.010 0.000 0.683 342 K CB -1.818 30.666 32.500 -0.026 0.000 1.349 342 K HN 0.680 nan 8.250 nan 0.000 0.473 343 A N 1.202 124.024 122.820 0.003 0.000 2.492 343 A HA 0.268 4.595 4.320 0.013 0.000 0.254 343 A C -1.976 175.616 177.584 0.013 0.000 1.091 343 A CA -1.065 50.976 52.037 0.007 0.000 0.768 343 A CB 0.024 19.029 19.000 0.008 0.000 1.028 343 A HN -0.006 nan 8.150 nan 0.000 0.498 344 P HA 0.092 nan 4.420 nan 0.000 0.261 344 P C -2.285 175.031 177.300 0.025 0.000 1.173 344 P CA -0.203 62.910 63.100 0.021 0.000 0.760 344 P CB -0.073 31.637 31.700 0.017 0.000 0.783 345 P HA 0.149 nan 4.420 nan 0.000 0.270 345 P C -0.383 176.939 177.300 0.037 0.000 1.223 345 P CA 0.146 63.264 63.100 0.031 0.000 0.785 345 P CB 0.485 32.205 31.700 0.033 0.000 0.923 346 T N -2.433 112.142 114.554 0.037 0.000 2.868 346 T HA 0.255 4.612 4.350 0.013 0.000 0.306 346 T C 0.386 175.130 174.700 0.073 0.000 1.224 346 T CA -0.540 61.599 62.100 0.064 0.000 1.012 346 T CB 0.457 69.364 68.868 0.064 0.000 1.221 346 T HN 0.295 nan 8.240 nan 0.000 0.499 347 Y N 2.279 122.579 120.300 -0.000 0.000 1.967 347 Y HA -0.319 4.238 4.550 0.012 0.000 0.260 347 Y C 1.877 177.778 175.900 0.003 0.000 1.181 347 Y CA 3.107 61.205 58.100 -0.003 0.000 1.097 347 Y CB -0.641 37.817 38.460 -0.004 0.000 0.934 347 Y HN 0.825 nan 8.280 nan 0.000 0.492 348 D N -1.324 119.163 120.400 0.144 0.000 2.182 348 D HA -0.154 4.494 4.640 0.013 0.000 0.201 348 D C 2.105 178.392 176.300 -0.020 0.000 0.986 348 D CA 1.869 55.900 54.000 0.051 0.000 0.847 348 D CB -0.847 40.025 40.800 0.120 0.000 0.942 348 D HN 0.402 nan 8.370 nan 0.000 0.467 349 T N 0.227 114.779 114.554 -0.002 0.000 2.821 349 T HA -0.070 4.287 4.350 0.013 0.000 0.267 349 T C 2.180 176.858 174.700 -0.035 0.000 1.046 349 T CA 0.554 62.650 62.100 -0.007 0.000 1.139 349 T CB -0.215 68.659 68.868 0.010 0.000 0.871 349 T HN 0.004 nan 8.240 nan 0.000 0.454 350 V N 1.703 121.572 119.914 -0.075 0.000 2.270 350 V HA -0.102 4.025 4.120 0.013 0.000 0.245 350 V C 2.511 178.535 176.094 -0.116 0.000 1.043 350 V CA 1.443 63.685 62.300 -0.096 0.000 1.014 350 V CB -0.668 31.069 31.823 -0.142 0.000 0.645 350 V HN 0.452 nan 8.190 nan 0.000 0.447 351 L N -0.187 120.923 121.223 -0.190 0.000 2.129 351 L HA -0.285 4.063 4.340 0.013 0.000 0.212 351 L C 2.607 179.434 176.870 -0.071 0.000 1.087 351 L CA 1.974 56.720 54.840 -0.158 0.000 0.757 351 L CB -0.664 41.271 42.059 -0.206 0.000 0.896 351 L HN 0.468 nan 8.230 nan 0.000 0.434 352 Q N 0.220 119.991 119.800 -0.048 0.000 2.291 352 Q HA -0.103 4.244 4.340 0.013 0.000 0.205 352 Q C 0.799 176.799 176.000 0.001 0.000 0.970 352 Q CA 0.602 56.396 55.803 -0.014 0.000 0.876 352 Q CB 0.133 28.869 28.738 -0.004 0.000 0.935 352 Q HN 0.423 nan 8.270 nan 0.000 0.455 353 M N 1.184 120.783 119.600 -0.001 0.000 2.193 353 M HA 0.046 4.534 4.480 0.013 0.000 0.342 353 M C 0.473 176.795 176.300 0.037 0.000 1.413 353 M CA 0.149 55.464 55.300 0.025 0.000 1.191 353 M CB 0.963 33.580 32.600 0.028 0.000 1.633 353 M HN 0.099 nan 8.290 nan 0.000 0.458 354 E N 1.661 121.898 120.200 0.062 0.000 2.076 354 E HA -0.161 4.197 4.350 0.013 0.000 0.190 354 E C 1.271 177.943 176.600 0.121 0.000 0.979 354 E CA 1.103 57.548 56.400 0.075 0.000 0.807 354 E CB 0.142 29.886 29.700 0.075 0.000 0.761 354 E HN 0.687 nan 8.360 nan 0.000 0.454 355 Y N 1.389 121.692 120.300 0.005 0.000 2.224 355 Y HA -0.211 4.346 4.550 0.013 0.000 0.289 355 Y C 2.120 178.024 175.900 0.007 0.000 1.146 355 Y CA 0.918 59.022 58.100 0.007 0.000 1.182 355 Y CB -0.236 38.232 38.460 0.013 0.000 0.983 355 Y HN 0.037 nan 8.280 nan 0.000 0.524 356 L N 0.502 121.772 121.223 0.079 0.000 1.970 356 L HA -0.241 4.107 4.340 0.013 0.000 0.212 356 L C 2.072 178.901 176.870 -0.068 0.000 1.071 356 L CA 2.623 57.459 54.840 -0.007 0.000 0.751 356 L CB -1.237 40.834 42.059 0.020 0.000 0.889 356 L HN 0.239 nan 8.230 nan 0.000 0.432 357 D N -1.159 119.215 120.400 -0.042 0.000 2.133 357 D HA -0.267 4.381 4.640 0.013 0.000 0.195 357 D C 2.145 178.373 176.300 -0.120 0.000 0.997 357 D CA 1.948 55.912 54.000 -0.060 0.000 0.840 357 D CB -0.069 40.716 40.800 -0.025 0.000 0.947 357 D HN 0.421 nan 8.370 nan 0.000 0.452 358 M N -0.899 118.624 119.600 -0.127 0.000 2.132 358 M HA -0.121 4.367 4.480 0.013 0.000 0.263 358 M C 2.196 178.315 176.300 -0.301 0.000 1.065 358 M CA 0.709 55.904 55.300 -0.176 0.000 1.122 358 M CB 0.014 32.535 32.600 -0.132 0.000 1.365 358 M HN -0.033 nan 8.290 nan 0.000 0.411 359 V N -0.495 119.218 119.914 -0.334 0.000 2.358 359 V HA -0.203 3.925 4.120 0.013 0.000 0.246 359 V C 2.295 178.349 176.094 -0.067 0.000 1.047 359 V CA 1.455 63.627 62.300 -0.214 0.000 1.035 359 V CB -0.489 31.225 31.823 -0.181 0.000 0.658 359 V HN 0.261 nan 8.190 nan 0.000 0.452 360 V N 0.746 120.598 119.914 -0.104 0.000 2.261 360 V HA -0.262 3.865 4.120 0.013 0.000 0.246 360 V C 2.359 178.379 176.094 -0.123 0.000 1.047 360 V CA 2.311 64.570 62.300 -0.068 0.000 1.015 360 V CB -0.867 30.927 31.823 -0.049 0.000 0.642 360 V HN 0.570 nan 8.190 nan 0.000 0.446 361 N N -0.191 118.328 118.700 -0.302 0.000 2.120 361 N HA -0.164 4.583 4.740 0.013 0.000 0.188 361 N C 1.893 176.972 175.510 -0.719 0.000 1.024 361 N CA 1.187 53.866 53.050 -0.617 0.000 0.852 361 N CB -0.413 37.313 38.487 -1.267 0.000 1.003 361 N HN 0.398 nan 8.380 nan 0.000 0.424 362 E N 0.432 120.299 120.200 -0.554 0.000 2.110 362 E HA -0.067 4.290 4.350 0.013 0.000 0.193 362 E C 1.654 178.276 176.600 0.037 0.000 0.988 362 E CA 0.931 57.209 56.400 -0.203 0.000 0.804 362 E CB -0.340 29.204 29.700 -0.259 0.000 0.745 362 E HN 0.368 nan 8.360 nan 0.000 0.458 363 T N 1.321 115.967 114.554 0.154 0.000 2.777 363 T HA -0.069 4.289 4.350 0.013 0.000 0.266 363 T C 2.069 176.824 174.700 0.091 0.000 1.040 363 T CA 0.725 62.952 62.100 0.212 0.000 1.141 363 T CB -0.168 68.810 68.868 0.183 0.000 0.868 363 T HN 0.122 nan 8.240 nan 0.000 0.444 364 L N 0.637 121.870 121.223 0.017 0.000 2.275 364 L HA -0.010 4.337 4.340 0.013 0.000 0.215 364 L C 2.802 179.687 176.870 0.026 0.000 1.119 364 L CA 0.942 55.771 54.840 -0.018 0.000 0.790 364 L CB -0.406 41.611 42.059 -0.071 0.000 0.919 364 L HN 0.181 nan 8.230 nan 0.000 0.443 365 R N 0.640 121.168 120.500 0.046 0.000 2.062 365 R HA -0.117 4.231 4.340 0.013 0.000 0.229 365 R C 2.270 178.439 176.300 -0.218 0.000 1.128 365 R CA 1.198 57.281 56.100 -0.029 0.000 0.960 365 R CB -0.153 29.993 30.300 -0.257 0.000 0.855 365 R HN 0.293 nan 8.270 nan 0.000 0.432 366 L N -0.153 120.841 121.223 -0.382 0.000 2.093 366 L HA -0.034 4.314 4.340 0.013 0.000 0.208 366 L C 0.331 176.495 176.870 -1.176 0.000 1.085 366 L CA 0.974 55.320 54.840 -0.824 0.000 0.755 366 L CB 0.103 41.596 42.059 -0.943 0.000 0.904 366 L HN 0.115 nan 8.230 nan 0.000 0.435 367 F N 0.031 119.827 119.950 -0.257 0.000 2.531 367 F HA 0.290 4.825 4.527 0.012 0.000 0.333 367 F C -2.210 173.434 175.800 -0.261 0.000 1.292 367 F CA -2.033 55.726 58.000 -0.403 0.000 1.184 367 F CB 0.511 38.843 39.000 -1.113 0.000 1.426 367 F HN -0.170 nan 8.300 nan 0.000 0.559 368 P HA 0.133 nan 4.420 nan 0.000 0.274 368 P C 1.124 178.348 177.300 -0.127 0.000 1.470 368 P CA -0.028 62.967 63.100 -0.174 0.000 1.001 368 P CB 0.346 31.826 31.700 -0.366 0.000 1.332 369 I N 1.177 121.682 120.570 -0.109 0.000 2.530 369 I HA -0.193 3.985 4.170 0.013 0.000 0.257 369 I C 1.762 177.814 176.117 -0.107 0.000 1.179 369 I CA 1.378 62.638 61.300 -0.067 0.000 1.440 369 I CB -0.758 37.226 38.000 -0.027 0.000 1.087 369 I HN 0.094 nan 8.210 nan 0.000 0.440 370 A N 0.623 123.349 122.820 -0.158 0.000 2.121 370 A HA -0.020 4.307 4.320 0.013 0.000 0.218 370 A C 2.050 179.536 177.584 -0.163 0.000 1.154 370 A CA 1.747 53.689 52.037 -0.158 0.000 0.679 370 A CB -0.415 18.482 19.000 -0.171 0.000 0.795 370 A HN 0.682 nan 8.150 nan 0.000 0.458 371 M N -3.968 115.543 119.600 -0.147 0.000 2.801 371 M HA -0.295 4.192 4.480 0.013 0.000 0.146 371 M C 0.374 176.599 176.300 -0.125 0.000 0.699 371 M CA 2.242 57.473 55.300 -0.115 0.000 0.556 371 M CB -0.827 31.701 32.600 -0.119 0.000 2.050 371 M HN 0.517 nan 8.290 nan 0.000 0.258 372 R N -0.461 119.935 120.500 -0.172 0.000 2.774 372 R HA 0.767 5.115 4.340 0.013 0.000 0.272 372 R C -1.654 174.543 176.300 -0.171 0.000 1.000 372 R CA -1.058 54.948 56.100 -0.157 0.000 0.906 372 R CB 1.796 31.996 30.300 -0.167 0.000 1.227 372 R HN -0.054 nan 8.270 nan 0.000 0.468 373 L N 1.402 122.534 121.223 -0.152 0.000 2.346 373 L HA 0.516 4.863 4.340 0.013 0.000 0.274 373 L C -0.395 176.386 176.870 -0.148 0.000 1.007 373 L CA -0.337 54.416 54.840 -0.145 0.000 0.818 373 L CB 1.715 43.698 42.059 -0.127 0.000 1.284 373 L HN 0.645 nan 8.230 nan 0.000 0.424 374 E N 2.941 123.053 120.200 -0.146 0.000 2.340 374 E HA 0.716 5.073 4.350 0.013 0.000 0.273 374 E C -1.065 175.464 176.600 -0.118 0.000 0.891 374 E CA -0.980 55.337 56.400 -0.139 0.000 0.757 374 E CB 2.667 32.279 29.700 -0.148 0.000 1.231 374 E HN 0.253 nan 8.360 nan 0.000 0.439 375 R N 1.015 121.463 120.500 -0.086 0.000 2.566 375 R HA 0.372 4.719 4.340 0.013 0.000 0.271 375 R C -1.287 175.047 176.300 0.058 0.000 1.071 375 R CA -0.775 55.316 56.100 -0.016 0.000 0.915 375 R CB 1.743 32.056 30.300 0.022 0.000 1.228 375 R HN 0.301 nan 8.270 nan 0.000 0.449 376 V N 1.698 121.634 119.914 0.036 0.000 2.546 376 V HA 0.175 4.302 4.120 0.013 0.000 0.284 376 V C 0.454 176.553 176.094 0.008 0.000 1.050 376 V CA -0.707 61.601 62.300 0.014 0.000 0.981 376 V CB 1.632 33.434 31.823 -0.034 0.000 0.990 376 V HN 0.829 nan 8.190 nan 0.000 0.474 377 C N 6.175 125.455 119.300 -0.033 0.000 2.322 377 C HA 0.282 4.749 4.460 0.013 0.000 0.343 377 C C 1.640 176.475 174.990 -0.258 0.000 1.190 377 C CA -0.711 58.146 59.018 -0.268 0.000 1.704 377 C CB -1.122 26.533 27.740 -0.142 0.000 2.293 377 C HN 1.012 nan 8.230 nan 0.000 0.523 378 K N 3.250 123.461 120.400 -0.315 0.000 2.439 378 K HA -0.021 4.306 4.320 0.013 0.000 0.197 378 K C 0.351 176.848 176.600 -0.172 0.000 1.041 378 K CA 0.858 57.027 56.287 -0.196 0.000 0.970 378 K CB -0.003 32.395 32.500 -0.170 0.000 0.773 378 K HN 0.843 nan 8.250 nan 0.000 0.479 379 K N -0.578 119.687 120.400 -0.225 0.000 2.639 379 K HA 0.176 4.503 4.320 0.013 0.000 0.279 379 K C -1.980 174.514 176.600 -0.176 0.000 0.976 379 K CA -1.020 55.174 56.287 -0.155 0.000 0.861 379 K CB 0.703 33.135 32.500 -0.114 0.000 1.436 379 K HN -0.318 nan 8.250 nan 0.000 0.400 380 D N 1.332 121.673 120.400 -0.099 0.000 2.583 380 D HA 0.214 4.861 4.640 0.013 0.000 0.232 380 D C -0.094 176.169 176.300 -0.063 0.000 1.128 380 D CA 0.664 54.614 54.000 -0.085 0.000 0.859 380 D CB 0.788 41.705 40.800 0.194 0.000 1.169 380 D HN 0.582 nan 8.370 nan 0.000 0.481 381 V N -0.711 119.117 119.914 -0.143 0.000 3.258 381 V HA 0.607 4.734 4.120 0.013 0.000 0.299 381 V C -0.935 175.185 176.094 0.042 0.000 1.376 381 V CA -1.092 61.198 62.300 -0.016 0.000 1.063 381 V CB 2.225 34.015 31.823 -0.054 0.000 1.103 381 V HN 0.457 nan 8.190 nan 0.000 0.451 382 E N 1.256 121.520 120.200 0.107 0.000 2.246 382 E HA 0.725 5.083 4.350 0.013 0.000 0.266 382 E C -1.444 175.211 176.600 0.092 0.000 0.880 382 E CA -0.904 55.574 56.400 0.129 0.000 0.762 382 E CB 2.104 31.898 29.700 0.156 0.000 1.180 382 E HN 0.925 nan 8.360 nan 0.000 0.416 383 I N 1.657 122.272 120.570 0.075 0.000 2.466 383 I HA 0.437 4.615 4.170 0.013 0.000 0.289 383 I C -0.702 175.429 176.117 0.024 0.000 1.026 383 I CA -1.225 60.105 61.300 0.050 0.000 1.078 383 I CB 1.499 39.525 38.000 0.043 0.000 1.249 383 I HN 0.578 nan 8.210 nan 0.000 0.429 384 N N 4.256 122.966 118.700 0.017 0.000 2.722 384 N HA -0.166 4.581 4.740 0.013 0.000 0.274 384 N C 0.761 176.284 175.510 0.021 0.000 0.987 384 N CA 1.057 54.114 53.050 0.011 0.000 0.817 384 N CB -1.367 37.114 38.487 -0.009 0.000 0.921 384 N HN 1.436 nan 8.380 nan 0.000 0.565 385 G N -0.901 107.921 108.800 0.038 0.000 2.397 385 G HA2 -0.293 3.675 3.960 0.013 0.000 0.211 385 G HA3 -0.293 3.675 3.960 0.013 0.000 0.211 385 G C 0.072 175.013 174.900 0.069 0.000 1.077 385 G CA 0.113 45.240 45.100 0.046 0.000 0.649 385 G HN 0.940 nan 8.290 nan 0.000 0.511 386 M N -0.128 119.515 119.600 0.073 0.000 2.508 386 M HA 0.835 5.322 4.480 0.013 0.000 0.327 386 M C -0.364 176.028 176.300 0.153 0.000 1.160 386 M CA -1.154 54.211 55.300 0.109 0.000 0.980 386 M CB 2.094 34.738 32.600 0.074 0.000 1.693 386 M HN 0.341 nan 8.290 nan 0.000 0.452 387 F N 4.547 124.519 119.950 0.037 0.000 2.410 387 F HA 0.593 5.126 4.527 0.010 0.000 0.348 387 F C -1.236 174.595 175.800 0.052 0.000 1.106 387 F CA -0.782 57.242 58.000 0.040 0.000 1.163 387 F CB 0.783 39.800 39.000 0.029 0.000 1.129 387 F HN 0.473 nan 8.300 nan 0.000 0.516 388 I N 7.763 127.938 120.570 -0.658 0.000 2.382 388 I HA 0.333 4.511 4.170 0.013 0.000 0.286 388 I C -2.437 173.137 176.117 -0.905 0.000 1.002 388 I CA -2.682 58.295 61.300 -0.538 0.000 1.135 388 I CB 1.119 39.029 38.000 -0.149 0.000 1.288 388 I HN 0.431 nan 8.210 nan 0.000 0.448 389 P HA 0.133 nan 4.420 nan 0.000 0.272 389 P C -0.214 176.923 177.300 -0.272 0.000 1.230 389 P CA -0.544 62.255 63.100 -0.502 0.000 0.788 389 P CB 0.848 32.437 31.700 -0.186 0.000 0.949 390 K N 0.943 121.244 120.400 -0.165 0.000 2.414 390 K HA 0.244 4.572 4.320 0.013 0.000 0.272 390 K C 1.173 177.712 176.600 -0.102 0.000 0.993 390 K CA 0.785 56.996 56.287 -0.127 0.000 0.964 390 K CB -0.699 31.756 32.500 -0.074 0.000 0.925 390 K HN 0.720 nan 8.250 nan 0.000 0.487 391 G N 1.402 110.145 108.800 -0.094 0.000 2.234 391 G HA2 -0.265 3.703 3.960 0.013 0.000 0.260 391 G HA3 -0.265 3.703 3.960 0.013 0.000 0.260 391 G C 0.083 174.942 174.900 -0.068 0.000 0.987 391 G CA 0.232 45.291 45.100 -0.068 0.000 0.625 391 G HN 0.543 nan 8.290 nan 0.000 0.532 392 V N 1.070 120.934 119.914 -0.084 0.000 2.843 392 V HA 0.376 4.503 4.120 0.013 0.000 0.305 392 V C 1.091 177.158 176.094 -0.045 0.000 1.065 392 V CA -0.107 62.147 62.300 -0.076 0.000 1.116 392 V CB 1.751 33.530 31.823 -0.074 0.000 0.968 392 V HN 0.278 nan 8.190 nan 0.000 0.487 393 V N 5.781 125.655 119.914 -0.066 0.000 2.385 393 V HA 0.225 4.353 4.120 0.013 0.000 0.269 393 V C 0.087 176.124 176.094 -0.094 0.000 1.043 393 V CA -0.371 61.888 62.300 -0.069 0.000 0.906 393 V CB 1.516 33.282 31.823 -0.095 0.000 0.995 393 V HN 0.590 nan 8.190 nan 0.000 0.467 394 V N 6.919 126.796 119.914 -0.061 0.000 2.406 394 V HA 0.368 4.495 4.120 0.013 0.000 0.272 394 V C 0.228 176.211 176.094 -0.186 0.000 1.043 394 V CA -0.139 62.072 62.300 -0.149 0.000 0.915 394 V CB 1.278 32.977 31.823 -0.207 0.000 0.988 394 V HN 0.793 nan 8.190 nan 0.000 0.466 395 M N 6.921 126.392 119.600 -0.216 0.000 2.383 395 M HA 0.590 5.078 4.480 0.013 0.000 0.325 395 M C -1.304 174.869 176.300 -0.213 0.000 1.092 395 M CA -0.531 54.661 55.300 -0.179 0.000 0.961 395 M CB 1.657 34.200 32.600 -0.096 0.000 1.672 395 M HN 0.477 nan 8.290 nan 0.000 0.438 396 I N 7.900 128.366 120.570 -0.175 0.000 2.354 396 I HA 0.316 4.493 4.170 0.013 0.000 0.286 396 I C -1.907 174.136 176.117 -0.123 0.000 1.007 396 I CA -1.568 59.632 61.300 -0.166 0.000 1.167 396 I CB 1.746 39.660 38.000 -0.142 0.000 1.320 396 I HN 0.411 nan 8.210 nan 0.000 0.458 397 P HA 0.138 nan 4.420 nan 0.000 0.244 397 P C 0.439 177.704 177.300 -0.058 0.000 1.769 397 P CA -0.019 63.066 63.100 -0.026 0.000 1.102 397 P CB 0.721 32.468 31.700 0.078 0.000 1.937 398 S N 1.685 117.302 115.700 -0.138 0.000 2.368 398 S HA -0.245 4.232 4.470 0.013 0.000 0.226 398 S C 1.563 175.925 174.600 -0.397 0.000 1.044 398 S CA 1.293 59.302 58.200 -0.317 0.000 1.062 398 S CB -1.319 61.623 63.200 -0.429 0.000 0.931 398 S HN 0.412 nan 8.310 nan 0.000 0.440 399 Y N 2.194 122.295 120.300 -0.331 0.000 2.151 399 Y HA -0.255 4.302 4.550 0.012 0.000 0.284 399 Y C 2.436 178.269 175.900 -0.112 0.000 1.166 399 Y CA 1.254 59.203 58.100 -0.251 0.000 1.163 399 Y CB -0.719 37.657 38.460 -0.141 0.000 0.974 399 Y HN 0.230 nan 8.280 nan 0.000 0.511 400 A N -0.186 122.667 122.820 0.055 0.000 1.897 400 A HA -0.097 4.230 4.320 0.013 0.000 0.215 400 A C 2.242 179.875 177.584 0.080 0.000 1.181 400 A CA 1.562 53.643 52.037 0.072 0.000 0.620 400 A CB -1.013 18.073 19.000 0.144 0.000 0.821 400 A HN 0.522 nan 8.150 nan 0.000 0.443 401 L N -1.287 119.979 121.223 0.072 0.000 2.141 401 L HA -0.173 4.175 4.340 0.013 0.000 0.209 401 L C 2.366 179.483 176.870 0.411 0.000 1.094 401 L CA 1.178 56.150 54.840 0.220 0.000 0.763 401 L CB -0.753 41.391 42.059 0.141 0.000 0.908 401 L HN 0.543 nan 8.230 nan 0.000 0.437 402 H N -0.245 118.802 119.070 -0.038 0.000 2.495 402 H HA -0.007 4.556 4.556 0.012 0.000 0.287 402 H C 1.429 176.357 175.328 -0.666 0.000 1.033 402 H CA 0.475 56.325 56.048 -0.330 0.000 1.307 402 H CB 0.371 29.872 29.762 -0.436 0.000 1.401 402 H HN 0.252 nan 8.280 nan 0.000 0.555 403 R N 0.803 121.169 120.500 -0.222 0.000 2.546 403 R HA 0.029 4.377 4.340 0.013 0.000 0.320 403 R C -0.432 175.941 176.300 0.122 0.000 1.021 403 R CA -0.230 55.749 56.100 -0.202 0.000 1.088 403 R CB 0.577 30.678 30.300 -0.332 0.000 1.278 403 R HN 0.080 nan 8.270 nan 0.000 0.557 404 D N 1.328 121.967 120.400 0.398 0.000 2.346 404 D HA 0.057 4.704 4.640 0.013 0.000 0.260 404 D C -1.646 174.904 176.300 0.417 0.000 1.252 404 D CA -2.347 51.921 54.000 0.447 0.000 0.895 404 D CB 1.498 42.667 40.800 0.616 0.000 1.097 404 D HN -0.125 nan 8.370 nan 0.000 0.489 405 P HA -0.221 nan 4.420 nan 0.000 0.216 405 P C 1.091 178.427 177.300 0.060 0.000 1.154 405 P CA 1.457 64.635 63.100 0.131 0.000 0.865 405 P CB 0.202 31.931 31.700 0.047 0.000 0.789 406 K N -1.855 118.538 120.400 -0.012 0.000 2.366 406 K HA -0.161 4.167 4.320 0.013 0.000 0.202 406 K C 1.534 177.913 176.600 -0.367 0.000 1.045 406 K CA 1.652 57.817 56.287 -0.204 0.000 0.934 406 K CB -0.798 31.526 32.500 -0.294 0.000 0.746 406 K HN 0.440 nan 8.250 nan 0.000 0.470 407 Y N -2.616 117.576 120.300 -0.180 0.000 2.423 407 Y HA 0.122 4.679 4.550 0.013 0.000 0.257 407 Y C 0.008 175.427 175.900 -0.802 0.000 1.087 407 Y CA -0.807 56.949 58.100 -0.573 0.000 1.258 407 Y CB 0.726 38.671 38.460 -0.858 0.000 1.237 407 Y HN -0.047 nan 8.280 nan 0.000 0.517 408 W N 0.448 121.802 121.300 0.090 0.000 2.781 408 W HA 0.496 5.163 4.660 0.012 0.000 0.333 408 W C -0.624 175.886 176.519 -0.016 0.000 1.047 408 W CA -1.204 56.145 57.345 0.008 0.000 1.236 408 W CB 0.838 30.293 29.460 -0.009 0.000 1.394 408 W HN -0.378 nan 8.180 nan 0.000 0.466 409 T N 3.002 117.654 114.554 0.162 0.000 2.888 409 T HA 0.087 4.445 4.350 0.013 0.000 0.301 409 T C 0.154 174.915 174.700 0.102 0.000 1.001 409 T CA -0.138 62.014 62.100 0.086 0.000 1.147 409 T CB 0.150 69.043 68.868 0.042 0.000 0.931 409 T HN 0.564 nan 8.240 nan 0.000 0.541 410 E N 1.370 121.615 120.200 0.075 0.000 2.332 410 E HA -0.184 4.174 4.350 0.013 0.000 0.162 410 E C -2.137 174.504 176.600 0.069 0.000 1.637 410 E CA -0.335 56.103 56.400 0.063 0.000 0.654 410 E CB -1.097 28.635 29.700 0.054 0.000 1.072 410 E HN 0.494 nan 8.360 nan 0.000 0.336 411 P HA -0.195 nan 4.420 nan 0.000 0.218 411 P C 1.031 178.295 177.300 -0.060 0.000 1.148 411 P CA 1.014 64.129 63.100 0.025 0.000 0.822 411 P CB 0.225 31.956 31.700 0.053 0.000 0.784 412 E N -0.501 119.690 120.200 -0.015 0.000 2.478 412 E HA -0.024 4.334 4.350 0.013 0.000 0.198 412 E C 0.350 176.974 176.600 0.041 0.000 1.046 412 E CA 0.790 57.185 56.400 -0.009 0.000 0.870 412 E CB -0.102 29.615 29.700 0.027 0.000 0.818 412 E HN 0.379 nan 8.360 nan 0.000 0.527 413 K N 0.754 121.188 120.400 0.056 0.000 2.143 413 K HA 0.183 4.511 4.320 0.013 0.000 0.272 413 K C -0.191 176.484 176.600 0.126 0.000 1.001 413 K CA -0.801 55.559 56.287 0.122 0.000 0.915 413 K CB 0.870 33.435 32.500 0.109 0.000 1.047 413 K HN -0.100 nan 8.250 nan 0.000 0.458 414 F N 4.107 124.066 119.950 0.015 0.000 2.423 414 F HA 0.239 4.774 4.527 0.012 0.000 0.356 414 F C -0.682 175.081 175.800 -0.062 0.000 1.170 414 F CA -0.672 57.269 58.000 -0.099 0.000 1.163 414 F CB -0.082 38.731 39.000 -0.311 0.000 1.318 414 F HN 0.247 nan 8.300 nan 0.000 0.569 415 L N 9.201 130.194 121.223 -0.383 0.000 2.442 415 L HA 0.305 4.652 4.340 0.013 0.000 0.261 415 L C -1.935 174.723 176.870 -0.353 0.000 1.000 415 L CA -1.669 52.990 54.840 -0.302 0.000 0.882 415 L CB 1.634 43.637 42.059 -0.093 0.000 1.207 415 L HN 0.334 nan 8.230 nan 0.000 0.443 416 P HA -0.168 nan 4.420 nan 0.000 0.218 416 P C 1.131 178.383 177.300 -0.081 0.000 1.148 416 P CA 1.000 63.890 63.100 -0.349 0.000 0.822 416 P CB 0.350 31.748 31.700 -0.504 0.000 0.784 417 E N -0.542 119.637 120.200 -0.035 0.000 2.273 417 E HA -0.221 4.137 4.350 0.013 0.000 0.198 417 E C 1.960 178.540 176.600 -0.033 0.000 1.002 417 E CA 0.842 57.249 56.400 0.012 0.000 0.828 417 E CB -0.584 29.124 29.700 0.012 0.000 0.747 417 E HN 0.293 nan 8.360 nan 0.000 0.491 418 R N -0.705 119.753 120.500 -0.070 0.000 2.133 418 R HA -0.156 4.191 4.340 0.013 0.000 0.247 418 R C 1.314 177.383 176.300 -0.385 0.000 1.151 418 R CA 1.375 57.359 56.100 -0.193 0.000 0.971 418 R CB -0.174 30.020 30.300 -0.177 0.000 0.866 418 R HN 0.156 nan 8.270 nan 0.000 0.447 419 F N 0.179 120.057 119.950 -0.120 0.000 2.641 419 F HA 0.125 4.659 4.527 0.012 0.000 0.302 419 F C 0.964 176.721 175.800 -0.073 0.000 1.098 419 F CA -0.506 57.422 58.000 -0.121 0.000 1.318 419 F CB 0.271 39.169 39.000 -0.170 0.000 1.035 419 F HN -0.076 nan 8.300 nan 0.000 0.551 420 S N -0.113 115.619 115.700 0.053 0.000 2.563 420 S HA -0.068 4.409 4.470 0.013 0.000 0.269 420 S C 1.573 176.191 174.600 0.032 0.000 1.364 420 S CA -0.426 57.808 58.200 0.056 0.000 1.010 420 S CB 0.843 64.066 63.200 0.039 0.000 0.877 420 S HN 0.415 nan 8.310 nan 0.000 0.549 421 K N 1.411 121.833 120.400 0.037 0.000 2.044 421 K HA -0.145 4.182 4.320 0.013 0.000 0.210 421 K C 0.629 177.231 176.600 0.004 0.000 1.049 421 K CA 1.512 57.813 56.287 0.024 0.000 0.927 421 K CB -0.207 32.308 32.500 0.025 0.000 0.713 421 K HN 0.729 nan 8.250 nan 0.000 0.443 422 K N 0.227 120.625 120.400 -0.003 0.000 2.997 422 K HA 0.121 4.449 4.320 0.013 0.000 0.249 422 K C -0.424 176.155 176.600 -0.034 0.000 1.284 422 K CA 0.098 56.375 56.287 -0.016 0.000 1.245 422 K CB 0.598 33.091 32.500 -0.012 0.000 1.670 422 K HN 0.142 nan 8.250 nan 0.000 0.385 423 N N 0.955 119.625 118.700 -0.050 0.000 2.149 423 N HA -0.100 4.647 4.740 0.013 0.000 0.311 423 N C 0.803 176.232 175.510 -0.136 0.000 1.063 423 N CA 0.114 53.111 53.050 -0.089 0.000 0.690 423 N CB 0.255 38.689 38.487 -0.087 0.000 1.958 423 N HN 0.289 nan 8.380 nan 0.000 0.766 424 K N 0.805 121.139 120.400 -0.109 0.000 2.504 424 K HA -0.018 4.309 4.320 0.013 0.000 0.195 424 K C 0.253 176.795 176.600 -0.097 0.000 1.036 424 K CA 1.489 57.698 56.287 -0.131 0.000 0.984 424 K CB -0.021 32.469 32.500 -0.016 0.000 0.788 424 K HN 0.341 nan 8.250 nan 0.000 0.488 425 D N 0.955 121.310 120.400 -0.076 0.000 2.277 425 D HA -0.120 4.527 4.640 0.013 0.000 0.208 425 D C 0.854 177.109 176.300 -0.074 0.000 0.962 425 D CA 0.415 54.383 54.000 -0.054 0.000 0.865 425 D CB -0.241 40.537 40.800 -0.036 0.000 0.939 425 D HN 0.193 nan 8.370 nan 0.000 0.510 426 N N 0.674 119.306 118.700 -0.112 0.000 2.521 426 N HA 0.079 4.827 4.740 0.013 0.000 0.188 426 N C 0.494 175.898 175.510 -0.177 0.000 1.146 426 N CA 0.120 53.092 53.050 -0.129 0.000 0.893 426 N CB 0.703 39.104 38.487 -0.144 0.000 0.975 426 N HN 0.357 nan 8.380 nan 0.000 0.451 427 I N 1.425 121.878 120.570 -0.196 0.000 2.337 427 I HA 0.006 4.183 4.170 0.013 0.000 0.291 427 I C 0.452 176.496 176.117 -0.121 0.000 1.046 427 I CA -0.424 60.739 61.300 -0.228 0.000 1.324 427 I CB 0.554 38.408 38.000 -0.244 0.000 1.409 427 I HN -0.205 nan 8.210 nan 0.000 0.494 428 D N 9.612 129.929 120.400 -0.138 0.000 2.383 428 D HA 0.105 4.752 4.640 0.013 0.000 0.252 428 D C -1.670 174.598 176.300 -0.054 0.000 1.166 428 D CA -1.794 52.167 54.000 -0.065 0.000 0.879 428 D CB 1.725 42.490 40.800 -0.057 0.000 1.164 428 D HN 0.240 nan 8.370 nan 0.000 0.462 429 P HA -0.037 nan 4.420 nan 0.000 0.234 429 P C 0.174 177.168 177.300 -0.511 0.000 1.167 429 P CA 0.814 63.754 63.100 -0.266 0.000 0.763 429 P CB -0.049 31.415 31.700 -0.394 0.000 0.835 430 Y N -1.929 118.381 120.300 0.018 0.000 2.458 430 Y HA 0.179 4.737 4.550 0.013 0.000 0.256 430 Y C 1.914 177.795 175.900 -0.032 0.000 1.159 430 Y CA -0.180 57.912 58.100 -0.013 0.000 1.261 430 Y CB 0.165 38.606 38.460 -0.032 0.000 1.119 430 Y HN -0.128 nan 8.280 nan 0.000 0.524 431 I N -1.609 118.966 120.570 0.008 0.000 3.194 431 I HA -0.071 4.107 4.170 0.013 0.000 0.271 431 I C 0.096 176.333 176.117 0.199 0.000 1.150 431 I CA 0.436 61.714 61.300 -0.036 0.000 1.440 431 I CB -0.490 37.270 38.000 -0.401 0.000 1.276 431 I HN 0.021 nan 8.210 nan 0.000 0.457 432 Y N 3.447 123.786 120.300 0.065 0.000 2.477 432 Y HA 0.255 4.813 4.550 0.013 0.000 0.349 432 Y C 0.439 176.416 175.900 0.127 0.000 0.977 432 Y CA -0.167 57.952 58.100 0.032 0.000 1.214 432 Y CB 0.499 39.015 38.460 0.094 0.000 1.124 432 Y HN 0.101 nan 8.280 nan 0.000 0.521 433 T N 3.663 118.235 114.554 0.031 0.000 3.633 433 T HA 0.214 4.572 4.350 0.013 0.000 0.278 433 T C -1.952 172.621 174.700 -0.212 0.000 0.991 433 T CA -1.150 60.882 62.100 -0.114 0.000 1.036 433 T CB 0.363 69.207 68.868 -0.040 0.000 1.148 433 T HN 0.486 nan 8.240 nan 0.000 0.501 434 P HA -0.094 nan 4.420 nan 0.000 0.219 434 P C 0.250 177.189 177.300 -0.601 0.000 1.144 434 P CA 0.946 63.751 63.100 -0.491 0.000 0.806 434 P CB -0.206 31.118 31.700 -0.626 0.000 0.771 435 F N -0.732 119.123 119.950 -0.159 0.000 2.735 435 F HA 0.441 4.975 4.527 0.012 0.000 0.304 435 F C 1.695 177.441 175.800 -0.090 0.000 1.119 435 F CA 0.303 58.242 58.000 -0.101 0.000 1.280 435 F CB 0.093 39.050 39.000 -0.073 0.000 0.994 435 F HN 0.021 nan 8.300 nan 0.000 0.520 436 G N 0.775 109.577 108.800 0.004 0.000 2.692 436 G HA2 -0.048 3.919 3.960 0.013 0.000 0.248 436 G HA3 -0.048 3.919 3.960 0.013 0.000 0.248 436 G C -0.213 174.696 174.900 0.015 0.000 1.340 436 G CA -0.054 45.038 45.100 -0.012 0.000 0.896 436 G HN 0.530 nan 8.290 nan 0.000 0.570 437 S N -1.849 113.863 115.700 0.019 0.000 2.615 437 S HA 0.853 5.331 4.470 0.013 0.000 0.269 437 S C 0.429 175.066 174.600 0.062 0.000 1.161 437 S CA 1.208 59.434 58.200 0.043 0.000 0.817 437 S CB 1.044 64.273 63.200 0.049 0.000 1.131 437 S HN 3.052 nan 8.310 nan 0.000 0.467 438 G N 2.353 111.207 108.800 0.089 0.000 2.698 438 G HA2 -0.113 3.855 3.960 0.013 0.000 0.225 438 G HA3 -0.113 3.855 3.960 0.013 0.000 0.225 438 G C -2.493 172.441 174.900 0.057 0.000 1.345 438 G CA -0.146 44.993 45.100 0.064 0.000 0.871 438 G HN 0.584 nan 8.290 nan 0.000 0.540 439 P HA -0.010 nan 4.420 nan 0.000 0.219 439 P C 1.473 178.931 177.300 0.262 0.000 1.146 439 P CA 1.435 64.622 63.100 0.145 0.000 0.808 439 P CB 0.059 31.764 31.700 0.010 0.000 0.779 440 R N -0.077 120.464 120.500 0.069 0.000 2.702 440 R HA 0.136 4.484 4.340 0.013 0.000 0.314 440 R C 0.500 176.814 176.300 0.024 0.000 1.152 440 R CA -0.293 55.818 56.100 0.019 0.000 1.097 440 R CB -0.722 29.354 30.300 -0.374 0.000 1.343 440 R HN 0.377 nan 8.270 nan 0.000 0.575 441 N N -1.749 116.990 118.700 0.065 0.000 2.327 441 N HA -0.016 4.731 4.740 0.013 0.000 0.257 441 N C -0.377 175.170 175.510 0.062 0.000 1.281 441 N CA -0.874 52.208 53.050 0.053 0.000 0.942 441 N CB 0.565 39.087 38.487 0.059 0.000 1.199 441 N HN -0.030 nan 8.380 nan 0.000 0.532 442 C N 1.170 120.521 119.300 0.085 0.000 2.601 442 C HA 0.045 4.513 4.460 0.013 0.000 0.405 442 C C 1.739 176.701 174.990 -0.047 0.000 1.441 442 C CA -0.461 58.601 59.018 0.072 0.000 1.555 442 C CB -1.863 26.031 27.740 0.256 0.000 2.450 442 C HN 0.788 nan 8.230 nan 0.000 0.614 443 I N 4.463 124.947 120.570 -0.143 0.000 2.928 443 I HA 0.117 4.294 4.170 0.013 0.000 0.266 443 I C 1.877 177.647 176.117 -0.578 0.000 1.234 443 I CA 1.357 62.456 61.300 -0.335 0.000 1.483 443 I CB -0.033 37.690 38.000 -0.462 0.000 1.097 443 I HN 0.913 nan 8.210 nan 0.000 0.455 444 G N 0.235 108.776 108.800 -0.431 0.000 3.502 444 G HA2 0.003 3.970 3.960 0.013 0.000 0.267 444 G HA3 0.003 3.970 3.960 0.013 0.000 0.267 444 G C 1.258 176.142 174.900 -0.026 0.000 1.090 444 G CA -0.253 44.695 45.100 -0.252 0.000 0.795 444 G HN 0.287 nan 8.290 nan 0.000 0.535 445 M N 1.506 120.988 119.600 -0.196 0.000 2.073 445 M HA -0.190 4.297 4.480 0.013 0.000 0.258 445 M C 2.746 178.831 176.300 -0.359 0.000 1.070 445 M CA 2.307 57.253 55.300 -0.590 0.000 1.103 445 M CB -0.138 31.900 32.600 -0.936 0.000 1.321 445 M HN 0.340 nan 8.290 nan 0.000 0.405 446 R N -0.582 119.834 120.500 -0.141 0.000 2.096 446 R HA -0.187 4.160 4.340 0.013 0.000 0.235 446 R C 2.076 178.436 176.300 0.101 0.000 1.127 446 R CA 1.898 57.984 56.100 -0.022 0.000 0.968 446 R CB -1.364 28.970 30.300 0.055 0.000 0.861 446 R HN 0.488 nan 8.270 nan 0.000 0.440 447 F N 2.097 122.100 119.950 0.089 0.000 2.102 447 F HA -0.019 4.515 4.527 0.013 0.000 0.298 447 F C 2.433 178.313 175.800 0.133 0.000 1.105 447 F CA 1.450 59.554 58.000 0.173 0.000 1.239 447 F CB -0.476 38.706 39.000 0.304 0.000 0.991 447 F HN 0.154 nan 8.300 nan 0.000 0.474 448 A N 0.721 123.782 122.820 0.403 0.000 1.902 448 A HA -0.136 4.192 4.320 0.013 0.000 0.217 448 A C 2.324 179.998 177.584 0.150 0.000 1.181 448 A CA 1.842 54.071 52.037 0.321 0.000 0.623 448 A CB -1.215 17.991 19.000 0.342 0.000 0.818 448 A HN 0.500 nan 8.150 nan 0.000 0.443 449 L N -1.787 119.476 121.223 0.067 0.000 2.017 449 L HA -0.214 4.133 4.340 0.013 0.000 0.208 449 L C 2.769 179.631 176.870 -0.014 0.000 1.073 449 L CA 1.775 56.634 54.840 0.031 0.000 0.745 449 L CB -0.455 41.584 42.059 -0.033 0.000 0.894 449 L HN 0.473 nan 8.230 nan 0.000 0.432 450 M N 0.298 119.863 119.600 -0.059 0.000 2.086 450 M HA -0.242 4.246 4.480 0.013 0.000 0.261 450 M C 1.921 178.165 176.300 -0.094 0.000 1.067 450 M CA 1.829 57.068 55.300 -0.102 0.000 1.116 450 M CB -0.888 31.639 32.600 -0.121 0.000 1.348 450 M HN 0.231 nan 8.290 nan 0.000 0.407 451 N N -0.771 117.839 118.700 -0.150 0.000 2.043 451 N HA -0.209 4.538 4.740 0.013 0.000 0.193 451 N C 1.748 177.331 175.510 0.121 0.000 1.037 451 N CA 1.982 55.008 53.050 -0.039 0.000 0.851 451 N CB -0.085 38.392 38.487 -0.017 0.000 1.027 451 N HN 0.433 nan 8.380 nan 0.000 0.422 452 M N 0.507 120.158 119.600 0.086 0.000 2.117 452 M HA -0.140 4.348 4.480 0.013 0.000 0.262 452 M C 2.056 178.348 176.300 -0.014 0.000 1.065 452 M CA 1.467 56.791 55.300 0.040 0.000 1.114 452 M CB -0.180 32.432 32.600 0.020 0.000 1.361 452 M HN 0.116 nan 8.290 nan 0.000 0.408 453 K N 0.719 121.113 120.400 -0.011 0.000 2.001 453 K HA -0.070 4.258 4.320 0.013 0.000 0.208 453 K C 1.908 178.502 176.600 -0.009 0.000 1.048 453 K CA 1.172 57.446 56.287 -0.022 0.000 0.932 453 K CB -0.383 32.097 32.500 -0.033 0.000 0.715 453 K HN 0.228 nan 8.250 nan 0.000 0.437 454 L N 0.767 121.995 121.223 0.008 0.000 2.051 454 L HA -0.314 4.034 4.340 0.013 0.000 0.214 454 L C 2.557 179.446 176.870 0.031 0.000 1.076 454 L CA 1.497 56.359 54.840 0.037 0.000 0.758 454 L CB -0.571 41.532 42.059 0.073 0.000 0.890 454 L HN 0.300 nan 8.230 nan 0.000 0.433 455 A N -0.344 122.467 122.820 -0.014 0.000 1.873 455 A HA -0.134 4.194 4.320 0.013 0.000 0.215 455 A C 2.212 179.743 177.584 -0.090 0.000 1.186 455 A CA 1.235 53.157 52.037 -0.193 0.000 0.616 455 A CB -0.655 18.020 19.000 -0.542 0.000 0.823 455 A HN 0.342 nan 8.150 nan 0.000 0.442 456 L N -0.513 120.670 121.223 -0.068 0.000 2.042 456 L HA -0.208 4.139 4.340 0.013 0.000 0.210 456 L C 2.510 179.401 176.870 0.036 0.000 1.076 456 L CA 1.301 56.124 54.840 -0.028 0.000 0.749 456 L CB -0.504 41.525 42.059 -0.051 0.000 0.893 456 L HN 0.398 nan 8.230 nan 0.000 0.432 457 I N -1.116 119.473 120.570 0.031 0.000 2.142 457 I HA -0.282 3.896 4.170 0.013 0.000 0.240 457 I C 2.839 179.001 176.117 0.075 0.000 1.078 457 I CA 0.956 62.287 61.300 0.052 0.000 1.343 457 I CB -0.330 37.691 38.000 0.036 0.000 1.046 457 I HN 0.214 nan 8.210 nan 0.000 0.405 458 R N 0.574 121.117 120.500 0.071 0.000 2.083 458 R HA -0.137 4.210 4.340 0.013 0.000 0.237 458 R C 2.239 178.636 176.300 0.162 0.000 1.137 458 R CA 1.366 57.523 56.100 0.095 0.000 0.951 458 R CB -0.962 29.391 30.300 0.089 0.000 0.851 458 R HN 0.260 nan 8.270 nan 0.000 0.434 459 V N 1.319 121.354 119.914 0.201 0.000 2.295 459 V HA -0.211 3.916 4.120 0.013 0.000 0.246 459 V C 2.483 178.849 176.094 0.453 0.000 1.049 459 V CA 1.568 64.098 62.300 0.383 0.000 1.024 459 V CB -0.493 31.532 31.823 0.336 0.000 0.648 459 V HN 0.226 nan 8.190 nan 0.000 0.447 460 L N -0.365 121.039 121.223 0.301 0.000 2.275 460 L HA -0.139 4.209 4.340 0.013 0.000 0.215 460 L C 2.384 179.357 176.870 0.172 0.000 1.119 460 L CA 1.136 56.139 54.840 0.272 0.000 0.790 460 L CB -0.426 41.745 42.059 0.188 0.000 0.919 460 L HN 0.389 nan 8.230 nan 0.000 0.443 461 Q N -0.141 119.734 119.800 0.124 0.000 2.431 461 Q HA -0.068 4.280 4.340 0.013 0.000 0.210 461 Q C 0.861 176.849 176.000 -0.021 0.000 0.958 461 Q CA 0.386 56.219 55.803 0.051 0.000 0.957 461 Q CB 0.261 29.027 28.738 0.046 0.000 1.007 461 Q HN 0.470 nan 8.270 nan 0.000 0.511 462 N N -1.698 116.974 118.700 -0.046 0.000 1.963 462 N HA 0.110 4.857 4.740 0.013 0.000 0.244 462 N C -0.989 174.143 175.510 -0.630 0.000 1.288 462 N CA 0.264 53.077 53.050 -0.396 0.000 0.800 462 N CB 0.943 39.056 38.487 -0.623 0.000 1.293 462 N HN -0.021 nan 8.380 nan 0.000 0.483 463 F N 0.236 120.199 119.950 0.021 0.000 2.664 463 F HA 0.542 5.076 4.527 0.012 0.000 0.317 463 F C -0.127 175.663 175.800 -0.017 0.000 1.108 463 F CA -0.773 57.180 58.000 -0.078 0.000 0.957 463 F CB 1.832 40.664 39.000 -0.279 0.000 1.365 463 F HN -0.410 nan 8.300 nan 0.000 0.475 464 S N 0.722 116.483 115.700 0.100 0.000 2.561 464 S HA 0.663 5.140 4.470 0.013 0.000 0.303 464 S C -1.507 173.076 174.600 -0.028 0.000 1.110 464 S CA -0.510 57.766 58.200 0.128 0.000 1.034 464 S CB 0.728 63.982 63.200 0.091 0.000 1.010 464 S HN 0.335 nan 8.310 nan 0.000 0.482 465 F N 2.851 122.843 119.950 0.070 0.000 2.415 465 F HA 0.513 5.048 4.527 0.013 0.000 0.348 465 F C 0.747 176.557 175.800 0.016 0.000 1.119 465 F CA -0.610 57.408 58.000 0.029 0.000 1.069 465 F CB 1.085 40.097 39.000 0.020 0.000 1.124 465 F HN 0.226 nan 8.300 nan 0.000 0.472 466 K N 3.617 124.094 120.400 0.128 0.000 2.328 466 K HA 0.514 4.842 4.320 0.013 0.000 0.246 466 K C -2.791 173.841 176.600 0.053 0.000 0.955 466 K CA -2.134 54.196 56.287 0.072 0.000 0.817 466 K CB 1.927 34.449 32.500 0.035 0.000 1.208 466 K HN 0.200 nan 8.250 nan 0.000 0.432 467 P HA -0.070 nan 4.420 nan 0.000 0.267 467 P C -0.500 176.815 177.300 0.025 0.000 1.201 467 P CA -0.309 62.800 63.100 0.015 0.000 0.775 467 P CB 0.462 32.158 31.700 -0.007 0.000 0.854 468 C N 2.821 122.140 119.300 0.032 0.000 2.630 468 C HA 0.342 4.809 4.460 0.013 0.000 0.346 468 C C 1.824 176.828 174.990 0.024 0.000 1.245 468 C CA -0.477 58.556 59.018 0.024 0.000 1.804 468 C CB 0.583 28.339 27.740 0.026 0.000 2.279 468 C HN 0.599 nan 8.230 nan 0.000 0.498 469 K N 0.399 120.809 120.400 0.017 0.000 2.283 469 K HA -0.071 4.256 4.320 0.013 0.000 0.202 469 K C 0.923 177.536 176.600 0.021 0.000 1.048 469 K CA 1.668 57.965 56.287 0.017 0.000 0.948 469 K CB 0.068 32.574 32.500 0.011 0.000 0.742 469 K HN 0.623 nan 8.250 nan 0.000 0.458 470 E N -0.101 120.112 120.200 0.022 0.000 2.463 470 E HA 0.027 4.385 4.350 0.013 0.000 0.193 470 E C -0.475 176.147 176.600 0.036 0.000 1.041 470 E CA 0.176 56.590 56.400 0.022 0.000 0.879 470 E CB 0.681 30.389 29.700 0.013 0.000 0.997 470 E HN -0.008 nan 8.360 nan 0.000 0.478 471 T N 1.743 116.328 114.554 0.052 0.000 2.779 471 T HA 0.029 4.387 4.350 0.013 0.000 0.296 471 T C 0.044 174.808 174.700 0.107 0.000 0.938 471 T CA -0.214 61.941 62.100 0.091 0.000 1.119 471 T CB 0.641 69.569 68.868 0.101 0.000 0.891 471 T HN 0.094 nan 8.240 nan 0.000 0.526 472 Q N 3.909 123.777 119.800 0.114 0.000 2.296 472 Q HA 0.351 4.698 4.340 0.013 0.000 0.263 472 Q C -0.981 175.128 176.000 0.181 0.000 1.026 472 Q CA 0.063 55.924 55.803 0.096 0.000 0.912 472 Q CB 0.149 28.904 28.738 0.028 0.000 1.198 472 Q HN 0.633 nan 8.270 nan 0.000 0.407 473 I N 6.071 126.732 120.570 0.152 0.000 2.512 473 I HA 0.362 4.540 4.170 0.013 0.000 0.287 473 I C -2.023 174.168 176.117 0.123 0.000 1.069 473 I CA -2.194 59.220 61.300 0.190 0.000 1.056 473 I CB 1.754 39.845 38.000 0.151 0.000 1.229 473 I HN 0.622 nan 8.210 nan 0.000 0.429 474 P HA 0.261 nan 4.420 nan 0.000 0.274 474 P C -0.709 176.675 177.300 0.141 0.000 1.237 474 P CA -0.671 62.543 63.100 0.189 0.000 0.793 474 P CB 0.579 32.372 31.700 0.154 0.000 0.977 475 L N 1.635 122.921 121.223 0.104 0.000 2.455 475 L HA 0.148 4.495 4.340 0.013 0.000 0.272 475 L C -0.050 176.798 176.870 -0.037 0.000 1.174 475 L CA 0.591 55.327 54.840 -0.173 0.000 0.869 475 L CB -0.346 41.277 42.059 -0.728 0.000 1.130 475 L HN 0.258 nan 8.230 nan 0.000 0.474 476 K N 5.264 125.641 120.400 -0.039 0.000 2.182 476 K HA 0.530 4.858 4.320 0.013 0.000 0.262 476 K C -0.931 175.668 176.600 -0.001 0.000 0.957 476 K CA -0.524 55.766 56.287 0.005 0.000 0.842 476 K CB 1.370 33.874 32.500 0.006 0.000 1.099 476 K HN 0.555 nan 8.250 nan 0.000 0.438 477 L N 1.502 122.745 121.223 0.033 0.000 2.395 477 L HA 0.217 4.565 4.340 0.013 0.000 0.269 477 L C 0.808 177.674 176.870 -0.007 0.000 1.133 477 L CA -0.316 54.542 54.840 0.031 0.000 0.812 477 L CB 1.451 43.541 42.059 0.050 0.000 1.125 477 L HN 0.658 nan 8.230 nan 0.000 0.452 478 S N 1.541 117.230 115.700 -0.018 0.000 2.580 478 S HA 0.148 4.626 4.470 0.013 0.000 0.266 478 S C 0.795 175.366 174.600 -0.048 0.000 1.354 478 S CA -0.304 57.875 58.200 -0.035 0.000 1.008 478 S CB 0.439 63.614 63.200 -0.041 0.000 0.898 478 S HN 0.537 nan 8.310 nan 0.000 0.555 479 L N 2.749 123.941 121.223 -0.052 0.000 2.640 479 L HA 0.313 4.660 4.340 0.013 0.000 0.230 479 L C 1.580 178.387 176.870 -0.105 0.000 1.123 479 L CA -0.146 54.651 54.840 -0.072 0.000 0.900 479 L CB -0.836 41.195 42.059 -0.047 0.000 1.146 479 L HN 0.775 nan 8.230 nan 0.000 0.484 480 G N -0.364 108.382 108.800 -0.090 0.000 2.489 480 G HA2 0.260 4.227 3.960 0.013 0.000 0.271 480 G HA3 0.260 4.227 3.960 0.013 0.000 0.271 480 G C 0.919 175.728 174.900 -0.151 0.000 1.427 480 G CA 0.213 45.249 45.100 -0.107 0.000 1.057 480 G HN 0.176 nan 8.290 nan 0.000 0.532 481 G N -1.391 107.344 108.800 -0.108 0.000 3.141 481 G HA2 0.362 4.329 3.960 0.013 0.000 0.218 481 G HA3 0.362 4.329 3.960 0.013 0.000 0.218 481 G C 0.343 175.337 174.900 0.156 0.000 1.170 481 G CA -0.167 44.935 45.100 0.004 0.000 0.769 481 G HN 0.260 nan 8.290 nan 0.000 0.546 482 L N 0.380 121.623 121.223 0.033 0.000 2.334 482 L HA 0.474 4.822 4.340 0.013 0.000 0.273 482 L C -0.728 176.145 176.870 0.006 0.000 1.013 482 L CA -1.219 53.627 54.840 0.010 0.000 0.816 482 L CB 2.412 44.446 42.059 -0.042 0.000 1.278 482 L HN -0.089 nan 8.230 nan 0.000 0.431 483 L N 4.044 125.277 121.223 0.017 0.000 2.312 483 L HA 0.334 4.681 4.340 0.013 0.000 0.287 483 L C -0.308 176.664 176.870 0.171 0.000 1.091 483 L CA 0.501 55.374 54.840 0.054 0.000 0.846 483 L CB -0.151 41.930 42.059 0.036 0.000 1.219 483 L HN 0.723 nan 8.230 nan 0.000 0.439 484 Q N 4.096 123.982 119.800 0.144 0.000 2.578 484 Q HA 0.594 4.942 4.340 0.013 0.000 0.284 484 Q C -2.981 173.027 176.000 0.013 0.000 0.960 484 Q CA -2.116 53.734 55.803 0.078 0.000 0.809 484 Q CB 1.220 29.911 28.738 -0.079 0.000 1.462 484 Q HN 0.227 nan 8.270 nan 0.000 0.392 485 P HA -0.067 nan 4.420 nan 0.000 0.269 485 P C 0.096 177.337 177.300 -0.098 0.000 1.209 485 P CA 0.163 63.183 63.100 -0.135 0.000 0.776 485 P CB 0.709 32.249 31.700 -0.268 0.000 0.876 486 E N 3.170 123.328 120.200 -0.070 0.000 2.031 486 E HA -0.169 4.188 4.350 0.013 0.000 0.193 486 E C -0.208 176.355 176.600 -0.061 0.000 0.994 486 E CA 1.290 57.658 56.400 -0.052 0.000 0.800 486 E CB 0.097 29.776 29.700 -0.034 0.000 0.752 486 E HN 0.369 nan 8.360 nan 0.000 0.447 487 K N 1.558 121.917 120.400 -0.068 0.000 2.156 487 K HA 0.352 4.679 4.320 0.013 0.000 0.254 487 K C -2.440 174.106 176.600 -0.090 0.000 0.950 487 K CA -2.307 53.942 56.287 -0.063 0.000 0.849 487 K CB 1.621 34.096 32.500 -0.042 0.000 1.100 487 K HN 0.122 nan 8.250 nan 0.000 0.434 488 P HA -0.018 nan 4.420 nan 0.000 0.269 488 P C -0.350 176.897 177.300 -0.090 0.000 1.209 488 P CA -0.255 62.782 63.100 -0.104 0.000 0.776 488 P CB 0.589 32.240 31.700 -0.081 0.000 0.876 489 V N 3.882 123.729 119.914 -0.113 0.000 2.455 489 V HA 0.136 4.264 4.120 0.013 0.000 0.273 489 V C 0.755 176.843 176.094 -0.009 0.000 1.045 489 V CA -0.098 62.169 62.300 -0.055 0.000 0.976 489 V CB 0.918 32.698 31.823 -0.071 0.000 0.993 489 V HN 0.441 nan 8.190 nan 0.000 0.475 490 V N 4.918 124.846 119.914 0.023 0.000 2.540 490 V HA 0.801 4.928 4.120 0.013 0.000 0.302 490 V C -0.799 175.329 176.094 0.057 0.000 1.035 490 V CA -0.694 61.620 62.300 0.024 0.000 0.873 490 V CB 1.713 33.540 31.823 0.007 0.000 0.992 490 V HN 0.626 nan 8.190 nan 0.000 0.428 491 L N 2.625 123.888 121.223 0.067 0.000 2.434 491 L HA 0.613 4.960 4.340 0.013 0.000 0.260 491 L C -0.328 176.573 176.870 0.052 0.000 0.983 491 L CA -0.886 54.009 54.840 0.093 0.000 0.820 491 L CB 2.520 44.690 42.059 0.184 0.000 1.361 491 L HN 0.711 nan 8.230 nan 0.000 0.410 492 K N 1.350 121.764 120.400 0.024 0.000 2.339 492 K HA 0.465 4.792 4.320 0.013 0.000 0.286 492 K C -1.137 175.402 176.600 -0.102 0.000 1.050 492 K CA -0.321 55.947 56.287 -0.032 0.000 0.956 492 K CB 0.976 33.465 32.500 -0.019 0.000 0.990 492 K HN 0.362 nan 8.250 nan 0.000 0.475 493 V N 4.784 124.570 119.914 -0.213 0.000 2.417 493 V HA 0.269 4.397 4.120 0.013 0.000 0.291 493 V C -0.623 175.316 176.094 -0.258 0.000 1.024 493 V CA -0.706 61.311 62.300 -0.472 0.000 0.861 493 V CB 1.495 32.891 31.823 -0.712 0.000 0.985 493 V HN 0.826 nan 8.190 nan 0.000 0.436 494 E N 2.284 122.374 120.200 -0.184 0.000 2.222 494 E HA 0.489 4.847 4.350 0.013 0.000 0.267 494 E C -0.564 176.099 176.600 0.104 0.000 0.884 494 E CA -0.564 55.827 56.400 -0.016 0.000 0.764 494 E CB 2.096 31.782 29.700 -0.023 0.000 1.169 494 E HN 0.752 nan 8.360 nan 0.000 0.413 495 S N 2.570 118.335 115.700 0.109 0.000 2.545 495 S HA 0.265 4.742 4.470 0.013 0.000 0.275 495 S C 0.170 174.713 174.600 -0.096 0.000 1.299 495 S CA -0.882 57.278 58.200 -0.066 0.000 1.048 495 S CB 0.700 63.817 63.200 -0.139 0.000 0.938 495 S HN 0.413 nan 8.310 nan 0.000 0.496 496 R N 2.524 122.934 120.500 -0.149 0.000 2.441 496 R HA 0.178 4.525 4.340 0.013 0.000 0.300 496 R C -0.717 175.523 176.300 -0.100 0.000 1.284 496 R CA -0.135 55.912 56.100 -0.088 0.000 1.069 496 R CB -0.638 29.617 30.300 -0.073 0.000 1.087 496 R HN 0.699 nan 8.270 nan 0.000 0.519 497 D N 2.121 122.479 120.400 -0.070 0.000 3.515 497 D HA -0.105 4.543 4.640 0.013 0.000 0.247 497 D C 0.522 176.773 176.300 -0.081 0.000 1.084 497 D CA 0.961 54.924 54.000 -0.062 0.000 1.030 497 D CB -0.505 40.262 40.800 -0.055 0.000 0.946 497 D HN 0.875 nan 8.370 nan 0.000 0.420 498 G N 0.295 109.054 108.800 -0.069 0.000 3.088 498 G HA2 0.173 4.140 3.960 0.013 0.000 0.217 498 G HA3 0.173 4.140 3.960 0.013 0.000 0.217 498 G C 0.715 175.589 174.900 -0.042 0.000 1.159 498 G CA 0.394 45.452 45.100 -0.070 0.000 0.760 498 G HN 0.356 nan 8.290 nan 0.000 0.550 499 T N 0.000 114.534 114.554 -0.034 0.000 3.816 499 T HA 0.000 4.358 4.350 0.013 0.000 0.228 499 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 499 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 499 T HN 0.000 nan 8.240 nan 0.000 0.658