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 2fon_1_C DATA FIRST_RESID 4 DATA SEQUENCE VDYLADERKK AGFDVDEMKI VWAGSRHDFE LTDRISKLVA SDPGFSKEGR DATA SEQUENCE TMLPRKELFK NTLRKAAYAW KRIIELRLSQ EEATMLRRYV DEPAFTDLHW DATA SEQUENCE GMFIPAIKGQ GTDKQQEKWL PLAYKMQIIG CYAQTELGHG SNVQGLETTA DATA SEQUENCE TFDPQTDEFV IHSPTLTSSK WWPGGLGKVS THAVVYARLI TDGKDYGVNG DATA SEQUENCE FIVQLRSLED HKPLPGVTVG DIGMKFGNGA YNSMDNGVLS FDHVRIPRDQ DATA SEQUENCE MLMRVSQVTK EGKYVQSDIP RQLLYGTMVY VRQSIVADAS LAMSRAVCIA DATA SEQUENCE TRYSAVRRQF GSQNGGQETQ VIDYKTQQNR LFPLLASAYA FRFVGEWLKW DATA SEQUENCE LYTDVTQRLA ANDFSTLPEA HACTAGLKSL TTSATADGIE ECRKLCGGHG DATA SEQUENCE YLCSSGLPEL FAVYVPACTY EGDNVVLQLQ VARFLMKTIS QLGTGKKPVG DATA SEQUENCE TVSYMGRIEH LMQCRSDVKQ AEDWLKPSAV LEAFEARSAR MSVACAKNLS DATA SEQUENCE KFENQEEGFA ELAADLVEAA VAHCQLIVVS KYIEKLQQNI PGKGVKQQLE DATA SEQUENCE VLCGIYSLFI LHKHQGDFLG TGYITSKQGS LANDQLRALY SQLRPNAVSL DATA SEQUENCE VDAFNYTDHY LGSILGRYDG NVYPKLYEAA WKDPLNKSDI ADGFHEYIRP DATA SEQUENCE LLK 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.869 176.094 -0.374 0.000 1.182 4 V CA 0.000 62.196 62.300 -0.173 0.000 1.235 4 V CB 0.000 31.765 31.823 -0.097 0.000 1.184 5 D N -0.468 119.774 120.400 -0.262 0.000 2.412 5 D HA 0.304 4.944 4.640 0.001 0.000 0.276 5 D C 0.640 176.861 176.300 -0.132 0.000 1.196 5 D CA -0.342 53.497 54.000 -0.269 0.000 0.905 5 D CB 0.296 40.980 40.800 -0.193 0.000 1.081 5 D HN 0.481 nan 8.370 nan 0.000 0.502 6 Y N 1.815 122.064 120.300 -0.086 0.000 2.751 6 Y HA 0.034 4.584 4.550 0.001 0.000 0.310 6 Y C 1.051 176.892 175.900 -0.097 0.000 1.176 6 Y CA 0.119 58.171 58.100 -0.080 0.000 1.360 6 Y CB 0.140 38.557 38.460 -0.070 0.000 0.999 6 Y HN 0.324 nan 8.280 nan 0.000 0.532 7 L N -1.370 119.841 121.223 -0.021 0.000 3.267 7 L HA 0.389 4.729 4.340 0.001 0.000 0.289 7 L C 1.687 178.497 176.870 -0.100 0.000 1.260 7 L CA -0.153 54.648 54.840 -0.066 0.000 1.034 7 L CB 0.158 42.155 42.059 -0.104 0.000 1.413 7 L HN 0.082 nan 8.230 nan 0.000 0.594 8 A N 1.104 123.876 122.820 -0.080 0.000 1.897 8 A HA -0.196 4.125 4.320 0.001 0.000 0.215 8 A C 1.843 179.392 177.584 -0.058 0.000 1.181 8 A CA 1.968 53.957 52.037 -0.081 0.000 0.620 8 A CB -0.345 18.621 19.000 -0.056 0.000 0.821 8 A HN 0.588 nan 8.150 nan 0.000 0.443 9 D N 0.059 120.436 120.400 -0.037 0.000 2.106 9 D HA -0.238 4.403 4.640 0.001 0.000 0.191 9 D C 1.586 177.861 176.300 -0.042 0.000 0.997 9 D CA 1.512 55.492 54.000 -0.033 0.000 0.834 9 D CB -0.392 40.395 40.800 -0.022 0.000 0.956 9 D HN 0.380 nan 8.370 nan 0.000 0.448 10 E N 0.453 120.626 120.200 -0.045 0.000 2.038 10 E HA -0.159 4.192 4.350 0.001 0.000 0.195 10 E C 2.326 178.889 176.600 -0.063 0.000 1.000 10 E CA 0.821 57.193 56.400 -0.047 0.000 0.803 10 E CB -0.323 29.350 29.700 -0.045 0.000 0.750 10 E HN 0.325 nan 8.360 nan 0.000 0.448 11 R N 0.545 120.995 120.500 -0.084 0.000 2.117 11 R HA -0.167 4.174 4.340 0.001 0.000 0.243 11 R C 2.564 178.801 176.300 -0.105 0.000 1.143 11 R CA 2.505 58.543 56.100 -0.102 0.000 0.968 11 R CB -0.360 29.872 30.300 -0.113 0.000 0.863 11 R HN 0.141 nan 8.270 nan 0.000 0.444 12 K N 1.374 121.725 120.400 -0.081 0.000 2.365 12 K HA -0.080 4.240 4.320 0.001 0.000 0.199 12 K C 1.626 178.184 176.600 -0.071 0.000 1.045 12 K CA 1.306 57.548 56.287 -0.075 0.000 0.962 12 K CB -0.303 32.165 32.500 -0.054 0.000 0.759 12 K HN 0.287 nan 8.250 nan 0.000 0.469 13 K N 0.404 120.767 120.400 -0.062 0.000 2.504 13 K HA 0.150 4.470 4.320 0.001 0.000 0.195 13 K C 0.809 177.380 176.600 -0.049 0.000 1.036 13 K CA 0.315 56.576 56.287 -0.044 0.000 0.984 13 K CB -0.038 32.446 32.500 -0.026 0.000 0.788 13 K HN 0.402 nan 8.250 nan 0.000 0.488 14 A N 1.224 123.985 122.820 -0.099 0.000 2.451 14 A HA 0.251 4.572 4.320 0.001 0.000 0.266 14 A C 1.060 178.581 177.584 -0.105 0.000 1.119 14 A CA -0.076 51.877 52.037 -0.140 0.000 0.786 14 A CB 0.339 19.098 19.000 -0.401 0.000 1.061 14 A HN 0.335 nan 8.150 nan 0.000 0.503 15 G N 1.799 110.627 108.800 0.047 0.000 3.279 15 G HA2 0.417 4.378 3.960 0.001 0.000 0.230 15 G HA3 0.417 4.378 3.960 0.001 0.000 0.230 15 G C -0.089 174.919 174.900 0.181 0.000 1.230 15 G CA 0.433 45.585 45.100 0.087 0.000 0.891 15 G HN 1.082 nan 8.290 nan 0.000 0.518 16 F N -2.273 117.655 119.950 -0.038 0.000 2.703 16 F HA 0.475 5.003 4.527 0.001 0.000 0.308 16 F C -1.480 174.301 175.800 -0.032 0.000 1.126 16 F CA -2.391 55.589 58.000 -0.034 0.000 0.959 16 F CB 0.959 39.935 39.000 -0.040 0.000 1.297 16 F HN -0.067 nan 8.300 nan 0.000 0.441 17 D N 2.801 123.194 120.400 -0.012 0.000 2.367 17 D HA 0.085 4.726 4.640 0.001 0.000 0.255 17 D C 1.259 177.538 176.300 -0.034 0.000 1.300 17 D CA 0.338 54.284 54.000 -0.090 0.000 0.959 17 D CB 1.122 41.921 40.800 -0.001 0.000 1.064 17 D HN 0.721 nan 8.370 nan 0.000 0.509 18 V N 4.281 123.997 119.914 -0.329 0.000 2.363 18 V HA -0.301 3.820 4.120 0.001 0.000 0.254 18 V C 1.373 177.481 176.094 0.022 0.000 1.074 18 V CA 2.370 64.601 62.300 -0.115 0.000 1.069 18 V CB -0.223 31.465 31.823 -0.225 0.000 0.659 18 V HN 0.581 nan 8.190 nan 0.000 0.455 19 D N -0.550 119.830 120.400 -0.033 0.000 2.097 19 D HA -0.160 4.481 4.640 0.001 0.000 0.195 19 D C 2.127 178.369 176.300 -0.096 0.000 0.989 19 D CA 1.721 55.678 54.000 -0.072 0.000 0.827 19 D CB -0.183 40.579 40.800 -0.064 0.000 0.966 19 D HN 0.607 nan 8.370 nan 0.000 0.456 20 E N 0.265 120.455 120.200 -0.017 0.000 2.204 20 E HA -0.165 4.186 4.350 0.001 0.000 0.195 20 E C 1.970 178.595 176.600 0.042 0.000 0.990 20 E CA 0.479 56.878 56.400 -0.001 0.000 0.821 20 E CB -0.125 29.603 29.700 0.046 0.000 0.750 20 E HN 0.223 nan 8.360 nan 0.000 0.477 21 M N 1.254 120.925 119.600 0.119 0.000 2.123 21 M HA -0.092 4.389 4.480 0.001 0.000 0.263 21 M C 1.790 178.182 176.300 0.153 0.000 1.069 21 M CA 1.467 56.878 55.300 0.185 0.000 1.133 21 M CB -0.048 32.718 32.600 0.276 0.000 1.356 21 M HN -0.168 nan 8.290 nan 0.000 0.415 22 K N 0.025 120.441 120.400 0.026 0.000 2.107 22 K HA -0.231 4.089 4.320 0.001 0.000 0.211 22 K C 1.825 178.352 176.600 -0.122 0.000 1.049 22 K CA 2.007 58.254 56.287 -0.067 0.000 0.927 22 K CB -0.926 31.376 32.500 -0.329 0.000 0.714 22 K HN 0.394 nan 8.250 nan 0.000 0.452 23 I N 0.510 120.930 120.570 -0.250 0.000 2.104 23 I HA -0.310 3.860 4.170 0.001 0.000 0.218 23 I C 2.361 178.543 176.117 0.107 0.000 1.048 23 I CA 0.976 62.213 61.300 -0.105 0.000 1.344 23 I CB -0.745 37.199 38.000 -0.093 0.000 1.116 23 I HN -0.140 nan 8.210 nan 0.000 0.392 24 V N 0.989 120.986 119.914 0.139 0.000 2.295 24 V HA -0.415 3.705 4.120 0.001 0.000 0.261 24 V C 2.026 178.307 176.094 0.311 0.000 1.097 24 V CA 2.804 65.246 62.300 0.237 0.000 1.100 24 V CB -0.886 31.107 31.823 0.283 0.000 0.737 24 V HN 0.676 nan 8.190 nan 0.000 0.458 25 W N 0.393 121.776 121.300 0.138 0.000 2.348 25 W HA -0.246 4.415 4.660 0.001 0.000 0.324 25 W C 2.583 179.128 176.519 0.043 0.000 1.209 25 W CA 2.440 59.806 57.345 0.035 0.000 1.275 25 W CB -0.706 28.765 29.460 0.018 0.000 1.175 25 W HN 0.336 nan 8.180 nan 0.000 0.461 26 A N 0.516 123.457 122.820 0.201 0.000 1.927 26 A HA -0.102 4.219 4.320 0.001 0.000 0.220 26 A C 2.053 179.651 177.584 0.022 0.000 1.185 26 A CA 3.781 55.889 52.037 0.119 0.000 0.639 26 A CB -1.304 17.916 19.000 0.366 0.000 0.820 26 A HN 0.924 nan 8.150 nan 0.000 0.451 27 G N -3.261 105.581 108.800 0.070 0.000 3.134 27 G HA2 0.250 4.210 3.960 0.001 0.000 0.195 27 G HA3 0.250 4.210 3.960 0.001 0.000 0.195 27 G C 0.288 175.246 174.900 0.097 0.000 1.054 27 G CA 0.613 45.750 45.100 0.061 0.000 0.828 27 G HN 2.190 nan 8.290 nan 0.000 0.462 28 S N -1.278 114.502 115.700 0.133 0.000 2.683 28 S HA 0.507 4.978 4.470 0.001 0.000 0.278 28 S C 0.413 175.126 174.600 0.188 0.000 1.059 28 S CA 0.430 58.711 58.200 0.134 0.000 0.847 28 S CB 0.870 64.144 63.200 0.123 0.000 1.078 28 S HN 0.378 nan 8.310 nan 0.000 0.456 29 R N 0.181 120.781 120.500 0.167 0.000 2.096 29 R HA -0.187 4.154 4.340 0.001 0.000 0.240 29 R C 2.136 178.565 176.300 0.215 0.000 1.139 29 R CA 2.376 58.598 56.100 0.202 0.000 0.952 29 R CB -0.937 29.449 30.300 0.143 0.000 0.854 29 R HN 0.878 nan 8.270 nan 0.000 0.436 30 H N 0.243 119.369 119.070 0.094 0.000 2.353 30 H HA -0.152 4.405 4.556 0.001 0.000 0.298 30 H C 1.323 176.688 175.328 0.061 0.000 1.103 30 H CA 2.390 58.475 56.048 0.062 0.000 1.293 30 H CB -0.026 29.761 29.762 0.043 0.000 1.372 30 H HN 0.268 nan 8.280 nan 0.000 0.501 31 D N -0.996 119.553 120.400 0.249 0.000 2.183 31 D HA -0.088 4.553 4.640 0.001 0.000 0.203 31 D C 1.590 177.974 176.300 0.140 0.000 0.969 31 D CA 0.895 55.001 54.000 0.178 0.000 0.842 31 D CB -0.135 40.762 40.800 0.162 0.000 0.957 31 D HN 0.342 nan 8.370 nan 0.000 0.484 32 F N 1.732 121.703 119.950 0.035 0.000 2.084 32 F HA -0.116 4.412 4.527 0.001 0.000 0.296 32 F C 2.172 177.959 175.800 -0.022 0.000 1.111 32 F CA 1.217 59.231 58.000 0.023 0.000 1.224 32 F CB -0.140 38.885 39.000 0.042 0.000 0.991 32 F HN -0.186 nan 8.300 nan 0.000 0.471 33 E N 0.831 120.897 120.200 -0.224 0.000 2.110 33 E HA -0.224 4.126 4.350 0.001 0.000 0.193 33 E C 2.380 178.792 176.600 -0.312 0.000 0.988 33 E CA 1.249 57.441 56.400 -0.346 0.000 0.804 33 E CB -0.612 28.989 29.700 -0.166 0.000 0.745 33 E HN 0.578 nan 8.360 nan 0.000 0.458 34 L N 0.550 121.635 121.223 -0.230 0.000 1.970 34 L HA -0.205 4.136 4.340 0.001 0.000 0.212 34 L C 2.488 179.240 176.870 -0.197 0.000 1.071 34 L CA 2.163 56.888 54.840 -0.192 0.000 0.751 34 L CB -0.543 41.438 42.059 -0.130 0.000 0.889 34 L HN 0.137 nan 8.230 nan 0.000 0.432 35 T N -1.280 113.173 114.554 -0.169 0.000 2.720 35 T HA -0.237 4.114 4.350 0.001 0.000 0.268 35 T C 1.579 176.069 174.700 -0.351 0.000 1.037 35 T CA 1.433 63.427 62.100 -0.177 0.000 1.144 35 T CB -0.422 68.433 68.868 -0.021 0.000 0.864 35 T HN 0.454 nan 8.240 nan 0.000 0.444 36 D N 1.339 121.480 120.400 -0.433 0.000 2.087 36 D HA -0.159 4.482 4.640 0.001 0.000 0.192 36 D C 2.723 178.797 176.300 -0.377 0.000 0.993 36 D CA 1.963 55.677 54.000 -0.476 0.000 0.828 36 D CB -0.138 40.236 40.800 -0.710 0.000 0.968 36 D HN 0.398 nan 8.370 nan 0.000 0.448 37 R N 0.961 121.263 120.500 -0.329 0.000 2.083 37 R HA -0.151 4.189 4.340 0.001 0.000 0.237 37 R C 2.467 178.612 176.300 -0.258 0.000 1.137 37 R CA 1.631 57.579 56.100 -0.255 0.000 0.951 37 R CB -1.467 28.706 30.300 -0.211 0.000 0.851 37 R HN 0.294 nan 8.270 nan 0.000 0.434 38 I N 1.372 121.770 120.570 -0.288 0.000 2.090 38 I HA -0.177 3.994 4.170 0.001 0.000 0.236 38 I C 3.209 179.061 176.117 -0.442 0.000 1.064 38 I CA 2.037 63.150 61.300 -0.312 0.000 1.324 38 I CB -1.534 36.308 38.000 -0.264 0.000 1.044 38 I HN 0.515 nan 8.210 nan 0.000 0.399 39 S N 0.985 116.289 115.700 -0.660 0.000 2.407 39 S HA -0.320 4.151 4.470 0.001 0.000 0.235 39 S C 2.311 176.639 174.600 -0.454 0.000 1.036 39 S CA 3.142 60.884 58.200 -0.763 0.000 1.013 39 S CB -0.749 61.956 63.200 -0.825 0.000 0.820 39 S HN 0.503 nan 8.310 nan 0.000 0.476 40 K N 0.643 120.835 120.400 -0.346 0.000 1.985 40 K HA 0.188 4.509 4.320 0.001 0.000 0.210 40 K C 2.146 178.613 176.600 -0.221 0.000 1.047 40 K CA 1.650 57.788 56.287 -0.248 0.000 0.932 40 K CB -1.444 30.937 32.500 -0.199 0.000 0.716 40 K HN 0.555 nan 8.250 nan 0.000 0.439 41 L N 0.832 121.932 121.223 -0.204 0.000 2.129 41 L HA -0.113 4.228 4.340 0.001 0.000 0.212 41 L C 2.394 179.189 176.870 -0.126 0.000 1.087 41 L CA 1.584 56.345 54.840 -0.132 0.000 0.757 41 L CB -0.170 41.826 42.059 -0.105 0.000 0.896 41 L HN 0.227 nan 8.230 nan 0.000 0.434 42 V N -0.680 119.050 119.914 -0.307 0.000 2.407 42 V HA -0.119 4.002 4.120 0.001 0.000 0.245 42 V C 2.670 178.525 176.094 -0.400 0.000 1.041 42 V CA 1.282 63.286 62.300 -0.493 0.000 1.040 42 V CB -0.958 30.412 31.823 -0.755 0.000 0.671 42 V HN 0.564 nan 8.190 nan 0.000 0.455 43 A N 0.982 123.482 122.820 -0.533 0.000 1.858 43 A HA -0.174 4.146 4.320 0.001 0.000 0.216 43 A C 2.327 179.806 177.584 -0.175 0.000 1.190 43 A CA 2.056 53.741 52.037 -0.587 0.000 0.617 43 A CB -0.818 17.967 19.000 -0.359 0.000 0.827 43 A HN 0.667 nan 8.150 nan 0.000 0.443 44 S N -0.750 114.887 115.700 -0.105 0.000 2.720 44 S HA 0.103 4.574 4.470 0.001 0.000 0.222 44 S C -0.235 174.381 174.600 0.027 0.000 0.958 44 S CA 0.414 58.598 58.200 -0.026 0.000 0.943 44 S CB -0.566 62.610 63.200 -0.041 0.000 0.779 44 S HN 0.437 nan 8.310 nan 0.000 0.526 45 D N 1.616 122.066 120.400 0.084 0.000 2.344 45 D HA 0.441 5.081 4.640 0.001 0.000 0.239 45 D C -1.999 174.390 176.300 0.149 0.000 1.064 45 D CA -2.185 51.908 54.000 0.155 0.000 0.829 45 D CB 1.835 42.860 40.800 0.375 0.000 1.129 45 D HN -0.081 nan 8.370 nan 0.000 0.506 46 P HA 0.056 nan 4.420 nan 0.000 0.226 46 P C 1.162 178.448 177.300 -0.023 0.000 1.153 46 P CA 0.356 63.478 63.100 0.037 0.000 0.777 46 P CB 0.372 32.076 31.700 0.008 0.000 0.794 47 G N -2.301 106.412 108.800 -0.144 0.000 3.061 47 G HA2 -0.056 3.904 3.960 0.001 0.000 0.208 47 G HA3 -0.056 3.904 3.960 0.001 0.000 0.208 47 G C 0.404 174.914 174.900 -0.650 0.000 1.175 47 G CA 0.061 44.926 45.100 -0.390 0.000 0.812 47 G HN 0.246 nan 8.290 nan 0.000 0.523 48 F N -0.417 119.587 119.950 0.089 0.000 2.798 48 F HA 0.346 4.874 4.527 0.001 0.000 0.328 48 F C 1.405 177.312 175.800 0.178 0.000 1.098 48 F CA -0.727 57.365 58.000 0.153 0.000 1.172 48 F CB 0.558 39.685 39.000 0.212 0.000 1.072 48 F HN 0.000 nan 8.300 nan 0.000 0.555 49 S N 1.629 117.470 115.700 0.234 0.000 2.885 49 S HA -0.120 4.351 4.470 0.001 0.000 0.334 49 S C 1.459 176.100 174.600 0.069 0.000 1.224 49 S CA 0.099 58.383 58.200 0.140 0.000 1.080 49 S CB 0.492 63.743 63.200 0.084 0.000 0.801 49 S HN 0.356 nan 8.310 nan 0.000 0.510 50 K N 4.190 124.590 120.400 0.000 0.000 2.057 50 K HA -0.003 4.318 4.320 0.001 0.000 0.206 50 K C 1.092 177.688 176.600 -0.006 0.000 1.050 50 K CA 1.484 57.754 56.287 -0.028 0.000 0.935 50 K CB -0.755 31.687 32.500 -0.096 0.000 0.715 50 K HN 0.857 nan 8.250 nan 0.000 0.439 51 E N 0.414 120.615 120.200 0.000 0.000 3.587 51 E HA 0.004 4.354 4.350 0.001 0.000 0.235 51 E C 0.843 177.447 176.600 0.006 0.000 0.912 51 E CA 0.803 57.206 56.400 0.006 0.000 0.933 51 E CB -2.022 27.688 29.700 0.018 0.000 0.865 51 E HN 0.607 nan 8.360 nan 0.000 0.567 52 G N 0.270 109.070 108.800 -0.000 0.000 2.231 52 G HA2 0.051 4.011 3.960 0.001 0.000 0.206 52 G HA3 0.051 4.011 3.960 0.001 0.000 0.206 52 G C 1.136 176.038 174.900 0.003 0.000 0.996 52 G CA 0.713 45.814 45.100 0.002 0.000 0.645 52 G HN 1.835 nan 8.290 nan 0.000 0.498 53 R N 0.353 120.855 120.500 0.003 0.000 3.441 53 R HA 0.679 5.020 4.340 0.001 0.000 0.225 53 R C 1.452 177.751 176.300 -0.002 0.000 1.756 53 R CA 2.076 58.181 56.100 0.008 0.000 1.504 53 R CB -0.950 29.356 30.300 0.011 0.000 1.183 53 R HN 1.003 nan 8.270 nan 0.000 0.567 54 T N -2.656 111.894 114.554 -0.007 0.000 3.367 54 T HA 0.090 4.440 4.350 0.001 0.000 0.273 54 T C 1.519 176.209 174.700 -0.018 0.000 0.879 54 T CA 0.673 62.762 62.100 -0.018 0.000 0.952 54 T CB -0.027 68.823 68.868 -0.030 0.000 1.236 54 T HN 0.258 nan 8.240 nan 0.000 0.532 55 M N 1.077 120.670 119.600 -0.013 0.000 2.447 55 M HA 0.442 4.923 4.480 0.001 0.000 0.266 55 M C 0.220 176.518 176.300 -0.004 0.000 1.120 55 M CA 0.475 55.767 55.300 -0.012 0.000 1.166 55 M CB -0.515 32.079 32.600 -0.011 0.000 1.349 55 M HN 0.251 nan 8.290 nan 0.000 0.463 56 L N 2.993 124.218 121.223 0.004 0.000 2.559 56 L HA -0.004 4.337 4.340 0.001 0.000 0.282 56 L C -1.896 174.982 176.870 0.013 0.000 1.232 56 L CA -1.062 53.785 54.840 0.012 0.000 0.885 56 L CB -0.304 41.769 42.059 0.022 0.000 1.131 56 L HN 0.137 nan 8.230 nan 0.000 0.498 57 P HA 0.055 nan 4.420 nan 0.000 0.269 57 P C 0.230 177.546 177.300 0.026 0.000 1.209 57 P CA -0.340 62.768 63.100 0.013 0.000 0.776 57 P CB 0.507 32.214 31.700 0.012 0.000 0.876 58 R N 2.097 122.607 120.500 0.016 0.000 2.249 58 R HA -0.185 4.155 4.340 0.001 0.000 0.230 58 R C 1.410 177.741 176.300 0.051 0.000 1.121 58 R CA 1.448 57.558 56.100 0.018 0.000 0.997 58 R CB -0.036 30.248 30.300 -0.026 0.000 0.867 58 R HN 0.458 nan 8.270 nan 0.000 0.465 59 K N 0.100 120.529 120.400 0.049 0.000 2.015 59 K HA -0.212 4.108 4.320 0.001 0.000 0.216 59 K C 1.716 178.389 176.600 0.122 0.000 1.052 59 K CA 2.193 58.526 56.287 0.077 0.000 0.937 59 K CB -0.080 32.447 32.500 0.046 0.000 0.719 59 K HN 0.260 nan 8.250 nan 0.000 0.446 60 E N -0.290 119.963 120.200 0.089 0.000 2.431 60 E HA 0.069 4.419 4.350 0.001 0.000 0.200 60 E C 2.056 178.711 176.600 0.092 0.000 0.995 60 E CA 0.343 56.790 56.400 0.079 0.000 0.915 60 E CB 0.207 29.932 29.700 0.042 0.000 0.930 60 E HN 0.236 nan 8.360 nan 0.000 0.496 61 L N 0.265 121.549 121.223 0.101 0.000 2.265 61 L HA -0.083 4.258 4.340 0.001 0.000 0.215 61 L C 2.184 179.174 176.870 0.199 0.000 1.117 61 L CA 1.582 56.488 54.840 0.110 0.000 0.782 61 L CB -1.167 40.941 42.059 0.081 0.000 0.914 61 L HN 0.177 nan 8.230 nan 0.000 0.441 62 F N 0.921 120.880 119.950 0.015 0.000 2.219 62 F HA 0.139 4.667 4.527 0.001 0.000 0.294 62 F C 2.684 178.496 175.800 0.020 0.000 1.086 62 F CA 1.343 59.355 58.000 0.021 0.000 1.330 62 F CB -0.735 38.273 39.000 0.013 0.000 1.047 62 F HN 0.303 nan 8.300 nan 0.000 0.495 63 K N 0.485 120.916 120.400 0.051 0.000 2.063 63 K HA -0.198 4.122 4.320 0.001 0.000 0.208 63 K C 1.843 178.412 176.600 -0.052 0.000 1.048 63 K CA 1.867 58.123 56.287 -0.051 0.000 0.928 63 K CB -2.338 30.158 32.500 -0.006 0.000 0.713 63 K HN 0.547 nan 8.250 nan 0.000 0.442 64 N N 0.068 118.768 118.700 -0.001 0.000 2.376 64 N HA 0.049 4.790 4.740 0.001 0.000 0.177 64 N C 2.484 178.001 175.510 0.011 0.000 1.024 64 N CA 1.703 54.753 53.050 -0.001 0.000 0.893 64 N CB -0.989 37.506 38.487 0.013 0.000 0.980 64 N HN 0.717 nan 8.380 nan 0.000 0.439 65 T N 0.093 114.671 114.554 0.041 0.000 2.867 65 T HA 0.159 4.510 4.350 0.001 0.000 0.268 65 T C 2.045 176.772 174.700 0.045 0.000 1.057 65 T CA 1.052 63.197 62.100 0.074 0.000 1.136 65 T CB -0.299 68.670 68.868 0.168 0.000 0.874 65 T HN 0.366 nan 8.240 nan 0.000 0.466 66 L N 0.243 121.431 121.223 -0.058 0.000 2.049 66 L HA -0.005 4.336 4.340 0.001 0.000 0.203 66 L C 3.656 180.513 176.870 -0.020 0.000 1.074 66 L CA 1.171 55.969 54.840 -0.069 0.000 0.749 66 L CB -0.729 41.164 42.059 -0.277 0.000 0.907 66 L HN 0.420 nan 8.230 nan 0.000 0.439 67 R N 1.058 121.528 120.500 -0.049 0.000 2.103 67 R HA -0.216 4.125 4.340 0.001 0.000 0.242 67 R C 2.430 178.708 176.300 -0.037 0.000 1.142 67 R CA 2.335 58.409 56.100 -0.044 0.000 0.960 67 R CB -1.736 28.534 30.300 -0.051 0.000 0.858 67 R HN 0.485 nan 8.270 nan 0.000 0.439 68 K N 0.157 120.544 120.400 -0.023 0.000 2.057 68 K HA 0.334 4.655 4.320 0.001 0.000 0.206 68 K C 2.673 179.286 176.600 0.022 0.000 1.050 68 K CA 1.679 57.951 56.287 -0.025 0.000 0.935 68 K CB -1.069 31.444 32.500 0.022 0.000 0.715 68 K HN 0.839 nan 8.250 nan 0.000 0.439 69 A N 0.969 123.822 122.820 0.054 0.000 2.015 69 A HA 0.306 4.627 4.320 0.001 0.000 0.219 69 A C 2.727 180.353 177.584 0.071 0.000 1.163 69 A CA 1.801 53.874 52.037 0.060 0.000 0.646 69 A CB -0.733 18.321 19.000 0.091 0.000 0.806 69 A HN 0.809 nan 8.150 nan 0.000 0.448 70 A N -1.113 121.744 122.820 0.061 0.000 1.824 70 A HA 0.003 4.324 4.320 0.001 0.000 0.215 70 A C 2.382 179.976 177.584 0.017 0.000 1.209 70 A CA 2.362 54.423 52.037 0.039 0.000 0.614 70 A CB -1.570 17.432 19.000 0.004 0.000 0.852 70 A HN 1.376 nan 8.150 nan 0.000 0.447 71 Y N -1.235 119.048 120.300 -0.028 0.000 2.425 71 Y HA 0.026 4.576 4.550 0.001 0.000 0.285 71 Y C 2.812 178.713 175.900 0.002 0.000 1.170 71 Y CA 1.955 60.017 58.100 -0.063 0.000 1.304 71 Y CB -1.445 36.905 38.460 -0.184 0.000 0.972 71 Y HN 0.661 nan 8.280 nan 0.000 0.558 72 A N -0.528 122.333 122.820 0.068 0.000 1.821 72 A HA 0.065 4.385 4.320 0.001 0.000 0.215 72 A C 2.503 180.136 177.584 0.081 0.000 1.214 72 A CA 2.771 54.899 52.037 0.151 0.000 0.608 72 A CB -1.830 17.250 19.000 0.133 0.000 0.862 72 A HN 1.504 nan 8.150 nan 0.000 0.448 73 W N -0.603 120.729 121.300 0.053 0.000 2.325 73 W HA -0.075 4.586 4.660 0.001 0.000 0.299 73 W C 2.858 179.409 176.519 0.052 0.000 1.215 73 W CA 3.346 60.724 57.345 0.055 0.000 1.244 73 W CB -1.277 28.238 29.460 0.093 0.000 1.140 73 W HN 0.777 nan 8.180 nan 0.000 0.523 74 K N 0.456 120.883 120.400 0.045 0.000 2.032 74 K HA -0.079 4.242 4.320 0.001 0.000 0.209 74 K C 2.241 178.859 176.600 0.030 0.000 1.048 74 K CA 3.768 60.073 56.287 0.030 0.000 0.927 74 K CB -1.598 30.909 32.500 0.012 0.000 0.712 74 K HN 0.904 nan 8.250 nan 0.000 0.441 75 R N 0.007 120.535 120.500 0.046 0.000 2.153 75 R HA 0.351 4.692 4.340 0.001 0.000 0.218 75 R C 2.842 179.165 176.300 0.039 0.000 1.072 75 R CA 1.729 57.863 56.100 0.057 0.000 0.990 75 R CB -1.653 28.720 30.300 0.122 0.000 0.889 75 R HN 0.931 nan 8.270 nan 0.000 0.452 76 I N 0.732 121.320 120.570 0.031 0.000 2.226 76 I HA 0.049 4.219 4.170 0.001 0.000 0.245 76 I C 3.023 179.141 176.117 0.001 0.000 1.100 76 I CA 2.491 63.789 61.300 -0.003 0.000 1.374 76 I CB -1.566 36.418 38.000 -0.027 0.000 1.057 76 I HN 0.630 nan 8.210 nan 0.000 0.413 77 I N -0.094 120.487 120.570 0.018 0.000 2.142 77 I HA -0.247 3.924 4.170 0.001 0.000 0.240 77 I C 2.358 178.481 176.117 0.010 0.000 1.078 77 I CA 2.689 64.001 61.300 0.020 0.000 1.343 77 I CB -1.495 36.524 38.000 0.031 0.000 1.046 77 I HN 0.613 nan 8.210 nan 0.000 0.405 78 E N 0.601 120.807 120.200 0.011 0.000 2.023 78 E HA 0.006 4.357 4.350 0.001 0.000 0.196 78 E C 1.545 178.144 176.600 -0.002 0.000 1.003 78 E CA 1.685 58.088 56.400 0.005 0.000 0.809 78 E CB -0.338 29.366 29.700 0.007 0.000 0.755 78 E HN 0.728 nan 8.360 nan 0.000 0.449 79 L N 1.411 122.632 121.223 -0.004 0.000 2.399 79 L HA 0.579 4.920 4.340 0.001 0.000 0.257 79 L C 0.633 177.491 176.870 -0.020 0.000 1.236 79 L CA 0.341 55.172 54.840 -0.015 0.000 1.144 79 L CB -1.581 40.465 42.059 -0.021 0.000 1.379 79 L HN 0.197 nan 8.230 nan 0.000 0.414 80 R N 1.789 122.279 120.500 -0.016 0.000 2.474 80 R HA 0.633 4.973 4.340 0.001 0.000 0.339 80 R C 0.473 176.757 176.300 -0.026 0.000 1.033 80 R CA 1.039 57.128 56.100 -0.018 0.000 0.997 80 R CB -1.308 28.984 30.300 -0.013 0.000 0.963 80 R HN 2.072 nan 8.270 nan 0.000 0.438 81 L N 0.217 121.420 121.223 -0.033 0.000 2.675 81 L HA 0.997 5.338 4.340 0.001 0.000 0.190 81 L C 1.269 178.118 176.870 -0.036 0.000 1.372 81 L CA 0.758 55.575 54.840 -0.039 0.000 2.736 81 L CB -0.909 41.120 42.059 -0.050 0.000 2.582 81 L HN 1.588 nan 8.230 nan 0.000 1.043 82 S N -3.760 111.915 115.700 -0.041 0.000 2.586 82 S HA 0.605 5.076 4.470 0.001 0.000 0.277 82 S C 0.641 175.215 174.600 -0.042 0.000 1.131 82 S CA 1.175 59.354 58.200 -0.036 0.000 0.848 82 S CB -0.189 63.001 63.200 -0.017 0.000 1.091 82 S HN 2.043 nan 8.310 nan 0.000 0.453 83 Q N -0.185 119.596 119.800 -0.031 0.000 2.142 83 Q HA -0.186 4.155 4.340 0.001 0.000 0.213 83 Q C 2.190 178.166 176.000 -0.041 0.000 1.004 83 Q CA 4.076 59.861 55.803 -0.029 0.000 0.883 83 Q CB -2.233 26.539 28.738 0.057 0.000 0.939 83 Q HN 2.134 nan 8.270 nan 0.000 0.413 84 E N -0.066 120.129 120.200 -0.008 0.000 2.065 84 E HA -0.199 4.152 4.350 0.001 0.000 0.201 84 E C 2.171 178.754 176.600 -0.028 0.000 1.016 84 E CA 3.460 59.861 56.400 0.001 0.000 0.818 84 E CB -1.466 28.252 29.700 0.030 0.000 0.749 84 E HN 1.105 nan 8.360 nan 0.000 0.453 85 E N 0.122 120.295 120.200 -0.045 0.000 2.077 85 E HA 0.198 4.549 4.350 0.001 0.000 0.193 85 E C 2.545 179.087 176.600 -0.097 0.000 0.989 85 E CA 1.997 58.357 56.400 -0.066 0.000 0.800 85 E CB -0.968 28.690 29.700 -0.070 0.000 0.746 85 E HN 1.039 nan 8.360 nan 0.000 0.452 86 A N 0.706 123.445 122.820 -0.135 0.000 2.019 86 A HA -0.101 4.220 4.320 0.001 0.000 0.219 86 A C 2.623 180.057 177.584 -0.250 0.000 1.164 86 A CA 2.302 54.207 52.037 -0.220 0.000 0.644 86 A CB -0.894 17.911 19.000 -0.326 0.000 0.805 86 A HN 0.468 nan 8.150 nan 0.000 0.449 87 T N -0.271 114.172 114.554 -0.185 0.000 2.674 87 T HA -0.160 4.190 4.350 0.001 0.000 0.265 87 T C 1.935 176.570 174.700 -0.109 0.000 1.039 87 T CA 1.877 63.892 62.100 -0.142 0.000 1.150 87 T CB -0.253 68.578 68.868 -0.062 0.000 0.864 87 T HN 0.450 nan 8.240 nan 0.000 0.427 88 M N 0.601 120.164 119.600 -0.063 0.000 2.236 88 M HA 0.099 4.579 4.480 0.001 0.000 0.266 88 M C 2.857 179.179 176.300 0.035 0.000 1.070 88 M CA 0.843 56.148 55.300 0.009 0.000 1.137 88 M CB -0.612 32.050 32.600 0.103 0.000 1.378 88 M HN 0.319 nan 8.290 nan 0.000 0.426 89 L N -0.478 120.715 121.223 -0.050 0.000 2.191 89 L HA -0.146 4.195 4.340 0.001 0.000 0.212 89 L C 2.204 179.006 176.870 -0.114 0.000 1.103 89 L CA 2.039 56.817 54.840 -0.103 0.000 0.769 89 L CB -1.603 40.380 42.059 -0.126 0.000 0.908 89 L HN 0.322 nan 8.230 nan 0.000 0.438 90 R N -0.494 119.941 120.500 -0.108 0.000 2.057 90 R HA -0.059 4.281 4.340 0.001 0.000 0.229 90 R C 2.853 179.103 176.300 -0.084 0.000 1.136 90 R CA 1.517 57.559 56.100 -0.096 0.000 0.952 90 R CB -0.366 29.851 30.300 -0.138 0.000 0.848 90 R HN 0.630 nan 8.270 nan 0.000 0.430 91 R N 0.337 120.763 120.500 -0.123 0.000 2.193 91 R HA -0.132 4.208 4.340 0.001 0.000 0.229 91 R C 1.711 177.843 176.300 -0.281 0.000 1.110 91 R CA 1.548 57.538 56.100 -0.184 0.000 0.988 91 R CB -1.456 28.695 30.300 -0.249 0.000 0.871 91 R HN 0.403 nan 8.270 nan 0.000 0.458 92 Y N -0.695 119.514 120.300 -0.151 0.000 2.511 92 Y HA 0.254 4.805 4.550 0.001 0.000 0.279 92 Y C 2.659 178.513 175.900 -0.075 0.000 1.157 92 Y CA 0.441 58.415 58.100 -0.210 0.000 1.300 92 Y CB 0.449 38.713 38.460 -0.327 0.000 1.052 92 Y HN 0.212 nan 8.280 nan 0.000 0.529 93 V N 0.035 119.966 119.914 0.028 0.000 3.510 93 V HA -0.004 4.117 4.120 0.001 0.000 0.270 93 V C 1.248 177.428 176.094 0.143 0.000 1.201 93 V CA 1.931 64.293 62.300 0.105 0.000 1.166 93 V CB -1.797 30.101 31.823 0.126 0.000 0.825 93 V HN 0.517 nan 8.190 nan 0.000 0.484 94 D N -0.550 119.932 120.400 0.138 0.000 2.997 94 D HA -0.261 4.380 4.640 0.001 0.000 0.226 94 D C 0.420 176.746 176.300 0.043 0.000 1.189 94 D CA 1.373 55.445 54.000 0.120 0.000 0.834 94 D CB -1.703 39.172 40.800 0.126 0.000 1.105 94 D HN 0.965 nan 8.370 nan 0.000 0.415 95 E N 0.458 120.678 120.200 0.034 0.000 2.115 95 E HA 0.545 4.896 4.350 0.001 0.000 0.282 95 E C -2.642 173.927 176.600 -0.051 0.000 0.987 95 E CA -2.159 54.245 56.400 0.007 0.000 0.797 95 E CB 1.574 31.299 29.700 0.041 0.000 1.086 95 E HN 0.387 nan 8.360 nan 0.000 0.397 96 P HA 0.363 nan 4.420 nan 0.000 0.284 96 P C -1.477 175.705 177.300 -0.196 0.000 1.343 96 P CA -0.371 62.580 63.100 -0.247 0.000 0.826 96 P CB 1.313 32.694 31.700 -0.531 0.000 0.956 97 A N 2.816 125.563 122.820 -0.121 0.000 2.527 97 A HA 0.561 4.882 4.320 0.001 0.000 0.293 97 A C 0.734 178.306 177.584 -0.021 0.000 1.117 97 A CA -0.871 51.146 52.037 -0.033 0.000 0.723 97 A CB 0.397 19.356 19.000 -0.069 0.000 1.313 97 A HN 0.431 nan 8.150 nan 0.000 0.411 98 F N 0.543 120.553 119.950 0.101 0.000 2.176 98 F HA -0.246 4.282 4.527 0.001 0.000 0.301 98 F C 2.093 177.995 175.800 0.170 0.000 1.071 98 F CA 2.443 60.520 58.000 0.128 0.000 1.289 98 F CB -1.592 37.479 39.000 0.119 0.000 1.028 98 F HN 0.548 nan 8.300 nan 0.000 0.494 99 T N -1.724 112.392 114.554 -0.729 0.000 2.803 99 T HA -0.153 4.197 4.350 0.001 0.000 0.269 99 T C 1.645 176.456 174.700 0.185 0.000 1.052 99 T CA 1.722 63.645 62.100 -0.294 0.000 1.136 99 T CB -1.810 66.821 68.868 -0.395 0.000 0.864 99 T HN 0.605 nan 8.240 nan 0.000 0.467 100 D N 2.113 122.552 120.400 0.065 0.000 2.088 100 D HA 0.037 4.678 4.640 0.001 0.000 0.191 100 D C 2.173 178.591 176.300 0.197 0.000 0.992 100 D CA 1.657 55.723 54.000 0.110 0.000 0.831 100 D CB -0.942 39.873 40.800 0.025 0.000 0.973 100 D HN 0.484 nan 8.370 nan 0.000 0.447 101 L N -0.770 120.571 121.223 0.196 0.000 2.376 101 L HA 0.087 4.428 4.340 0.001 0.000 0.219 101 L C 2.376 179.423 176.870 0.294 0.000 1.133 101 L CA 1.237 56.211 54.840 0.223 0.000 0.816 101 L CB -0.578 41.615 42.059 0.225 0.000 0.933 101 L HN 0.503 nan 8.230 nan 0.000 0.449 102 H N -1.275 117.917 119.070 0.203 0.000 2.353 102 H HA -0.200 4.357 4.556 0.001 0.000 0.300 102 H C 1.723 177.084 175.328 0.055 0.000 1.090 102 H CA 2.005 58.112 56.048 0.098 0.000 1.327 102 H CB -0.004 29.759 29.762 0.001 0.000 1.383 102 H HN 0.327 nan 8.280 nan 0.000 0.508 103 W N -1.021 120.431 121.300 0.254 0.000 2.762 103 W HA 0.298 4.959 4.660 0.001 0.000 0.265 103 W C 2.558 179.142 176.519 0.108 0.000 1.263 103 W CA 0.649 58.109 57.345 0.192 0.000 1.411 103 W CB 0.209 29.778 29.460 0.182 0.000 1.065 103 W HN 0.260 nan 8.180 nan 0.000 0.609 104 G N -0.976 107.989 108.800 0.275 0.000 2.608 104 G HA2 -0.010 3.951 3.960 0.001 0.000 0.210 104 G HA3 -0.010 3.951 3.960 0.001 0.000 0.210 104 G C 1.371 176.301 174.900 0.049 0.000 1.139 104 G CA 0.585 45.751 45.100 0.111 0.000 0.812 104 G HN -0.083 nan 8.290 nan 0.000 0.529 105 M N -0.801 118.857 119.600 0.097 0.000 2.738 105 M HA 0.346 4.826 4.480 0.001 0.000 0.256 105 M C 2.172 178.649 176.300 0.295 0.000 1.253 105 M CA 0.217 55.573 55.300 0.094 0.000 1.223 105 M CB -0.891 31.736 32.600 0.044 0.000 1.263 105 M HN 0.217 nan 8.290 nan 0.000 0.521 106 F N 1.826 121.838 119.950 0.104 0.000 2.074 106 F HA -0.066 4.462 4.527 0.001 0.000 0.293 106 F C 2.220 177.944 175.800 -0.126 0.000 1.116 106 F CA 1.583 59.578 58.000 -0.007 0.000 1.212 106 F CB -0.186 38.726 39.000 -0.148 0.000 0.998 106 F HN -0.071 nan 8.300 nan 0.000 0.471 107 I N 0.715 121.273 120.570 -0.019 0.000 2.179 107 I HA -0.217 3.953 4.170 0.001 0.000 0.242 107 I C -0.712 175.335 176.117 -0.116 0.000 1.088 107 I CA 1.349 62.556 61.300 -0.155 0.000 1.357 107 I CB -1.723 36.130 38.000 -0.245 0.000 1.051 107 I HN 0.157 nan 8.210 nan 0.000 0.409 108 P HA -0.057 nan 4.420 nan 0.000 0.223 108 P C 1.308 178.616 177.300 0.013 0.000 1.151 108 P CA 1.156 64.281 63.100 0.041 0.000 0.787 108 P CB 0.007 31.770 31.700 0.106 0.000 0.788 109 A N 0.261 123.080 122.820 -0.001 0.000 1.930 109 A HA -0.109 4.212 4.320 0.001 0.000 0.217 109 A C 2.440 179.928 177.584 -0.161 0.000 1.175 109 A CA 2.061 54.094 52.037 -0.007 0.000 0.627 109 A CB -1.938 17.093 19.000 0.052 0.000 0.815 109 A HN 0.190 nan 8.150 nan 0.000 0.443 110 I N -0.324 120.075 120.570 -0.285 0.000 2.700 110 I HA 0.029 4.200 4.170 0.001 0.000 0.261 110 I C 1.142 177.165 176.117 -0.157 0.000 1.219 110 I CA 1.500 62.624 61.300 -0.293 0.000 1.463 110 I CB -1.202 36.583 38.000 -0.359 0.000 1.092 110 I HN 0.395 nan 8.210 nan 0.000 0.452 111 K N -0.256 120.085 120.400 -0.098 0.000 2.098 111 K HA 0.580 4.901 4.320 0.001 0.000 0.258 111 K C 1.310 177.893 176.600 -0.029 0.000 0.973 111 K CA 0.144 56.405 56.287 -0.044 0.000 0.898 111 K CB 1.276 33.773 32.500 -0.005 0.000 1.057 111 K HN 0.552 nan 8.250 nan 0.000 0.447 112 G N -0.006 108.781 108.800 -0.021 0.000 2.353 112 G HA2 -0.442 3.519 3.960 0.001 0.000 0.258 112 G HA3 -0.442 3.519 3.960 0.001 0.000 0.258 112 G C 0.964 175.845 174.900 -0.030 0.000 1.013 112 G CA 1.168 46.260 45.100 -0.013 0.000 0.622 112 G HN 0.677 nan 8.290 nan 0.000 0.535 113 Q N -0.471 119.296 119.800 -0.055 0.000 2.471 113 Q HA 0.636 4.977 4.340 0.001 0.000 0.241 113 Q C 1.873 177.798 176.000 -0.125 0.000 0.886 113 Q CA 1.661 57.412 55.803 -0.086 0.000 0.953 113 Q CB 0.119 28.802 28.738 -0.092 0.000 1.108 113 Q HN 1.937 nan 8.270 nan 0.000 0.575 114 G N 1.025 109.748 108.800 -0.129 0.000 2.437 114 G HA2 0.477 4.438 3.960 0.001 0.000 0.319 114 G HA3 0.477 4.438 3.960 0.001 0.000 0.319 114 G C 0.483 175.341 174.900 -0.070 0.000 1.158 114 G CA 0.326 45.353 45.100 -0.123 0.000 0.899 114 G HN 0.516 nan 8.290 nan 0.000 0.502 115 T N -2.116 112.408 114.554 -0.050 0.000 2.715 115 T HA 0.366 4.716 4.350 0.001 0.000 0.320 115 T C 1.548 176.243 174.700 -0.008 0.000 1.046 115 T CA 0.711 62.796 62.100 -0.026 0.000 0.983 115 T CB 0.043 68.901 68.868 -0.016 0.000 1.183 115 T HN 0.583 nan 8.240 nan 0.000 0.522 116 D N -0.207 120.193 120.400 -0.001 0.000 2.149 116 D HA 0.049 4.689 4.640 0.001 0.000 0.201 116 D C 2.406 178.718 176.300 0.020 0.000 0.972 116 D CA 1.782 55.788 54.000 0.010 0.000 0.835 116 D CB -1.058 39.747 40.800 0.008 0.000 0.966 116 D HN 0.758 nan 8.370 nan 0.000 0.476 117 K N 0.111 120.524 120.400 0.020 0.000 2.062 117 K HA -0.085 4.236 4.320 0.001 0.000 0.205 117 K C 2.229 178.861 176.600 0.054 0.000 1.051 117 K CA 1.463 57.768 56.287 0.030 0.000 0.941 117 K CB -0.858 31.658 32.500 0.026 0.000 0.719 117 K HN 0.587 nan 8.250 nan 0.000 0.440 118 Q N -0.602 119.237 119.800 0.064 0.000 2.224 118 Q HA -0.143 4.198 4.340 0.001 0.000 0.203 118 Q C 2.866 178.953 176.000 0.145 0.000 0.970 118 Q CA 1.716 57.594 55.803 0.126 0.000 0.865 118 Q CB -0.131 28.646 28.738 0.064 0.000 0.922 118 Q HN 0.800 nan 8.270 nan 0.000 0.445 119 Q N 0.620 120.461 119.800 0.069 0.000 2.083 119 Q HA -0.141 4.199 4.340 0.001 0.000 0.198 119 Q C 1.922 177.956 176.000 0.058 0.000 0.969 119 Q CA 1.690 57.525 55.803 0.053 0.000 0.838 119 Q CB -1.227 27.524 28.738 0.021 0.000 0.900 119 Q HN 0.677 nan 8.270 nan 0.000 0.436 120 E N 0.599 120.827 120.200 0.047 0.000 2.153 120 E HA -0.091 4.260 4.350 0.001 0.000 0.194 120 E C 2.272 178.874 176.600 0.004 0.000 0.988 120 E CA 2.393 58.813 56.400 0.033 0.000 0.811 120 E CB -1.075 28.640 29.700 0.025 0.000 0.746 120 E HN 0.881 nan 8.360 nan 0.000 0.466 121 K N -0.709 119.689 120.400 -0.003 0.000 2.044 121 K HA 0.080 4.401 4.320 0.001 0.000 0.204 121 K C 1.942 178.396 176.600 -0.244 0.000 1.049 121 K CA 1.232 57.441 56.287 -0.129 0.000 0.945 121 K CB -0.712 31.715 32.500 -0.121 0.000 0.724 121 K HN 0.676 nan 8.250 nan 0.000 0.440 122 W N -0.395 120.877 121.300 -0.046 0.000 2.683 122 W HA 0.248 4.909 4.660 0.001 0.000 0.267 122 W C 2.586 179.054 176.519 -0.085 0.000 1.243 122 W CA 0.752 58.057 57.345 -0.067 0.000 1.380 122 W CB -0.023 29.387 29.460 -0.085 0.000 1.063 122 W HN 0.211 nan 8.180 nan 0.000 0.599 123 L N 0.104 121.374 121.223 0.079 0.000 2.109 123 L HA 0.060 4.401 4.340 0.001 0.000 0.207 123 L C 0.029 176.827 176.870 -0.120 0.000 1.086 123 L CA 1.862 56.646 54.840 -0.092 0.000 0.760 123 L CB -2.503 39.470 42.059 -0.142 0.000 0.910 123 L HN -0.173 nan 8.230 nan 0.000 0.437 124 P HA -0.150 nan 4.420 nan 0.000 0.216 124 P C 1.670 179.017 177.300 0.077 0.000 1.150 124 P CA 0.972 64.144 63.100 0.121 0.000 0.837 124 P CB -0.168 31.582 31.700 0.084 0.000 0.786 125 L N -2.030 119.197 121.223 0.007 0.000 2.642 125 L HA -0.054 4.287 4.340 0.001 0.000 0.236 125 L C 1.712 178.613 176.870 0.051 0.000 1.169 125 L CA 0.864 55.699 54.840 -0.009 0.000 0.851 125 L CB -0.633 41.353 42.059 -0.121 0.000 0.968 125 L HN 0.043 nan 8.230 nan 0.000 0.453 126 A N -2.549 120.304 122.820 0.055 0.000 2.010 126 A HA 0.086 4.407 4.320 0.001 0.000 0.193 126 A C 1.644 179.268 177.584 0.067 0.000 1.659 126 A CA -0.277 51.793 52.037 0.055 0.000 1.175 126 A CB -0.191 18.804 19.000 -0.009 0.000 1.301 126 A HN 0.217 nan 8.150 nan 0.000 0.448 127 Y N 1.564 121.909 120.300 0.075 0.000 2.256 127 Y HA -0.191 4.360 4.550 0.001 0.000 0.288 127 Y C 1.966 177.989 175.900 0.205 0.000 1.155 127 Y CA 1.551 59.753 58.100 0.170 0.000 1.203 127 Y CB 0.163 38.724 38.460 0.169 0.000 0.980 127 Y HN 0.242 nan 8.280 nan 0.000 0.530 128 K N -0.777 119.795 120.400 0.287 0.000 2.358 128 K HA 0.253 4.574 4.320 0.001 0.000 0.197 128 K C 0.854 177.543 176.600 0.148 0.000 1.025 128 K CA 0.660 57.065 56.287 0.196 0.000 1.104 128 K CB 0.421 33.004 32.500 0.139 0.000 0.855 128 K HN 0.197 nan 8.250 nan 0.000 0.531 129 M N 1.556 121.240 119.600 0.140 0.000 2.253 129 M HA -0.238 4.242 4.480 0.001 0.000 0.195 129 M C 1.024 177.362 176.300 0.063 0.000 0.512 129 M CA 1.249 56.601 55.300 0.087 0.000 0.442 129 M CB -2.819 29.806 32.600 0.042 0.000 1.189 129 M HN 0.216 nan 8.290 nan 0.000 0.923 130 Q N 0.005 119.842 119.800 0.062 0.000 1.916 130 Q HA 0.348 4.689 4.340 0.001 0.000 0.203 130 Q C 1.724 177.760 176.000 0.060 0.000 0.983 130 Q CA 2.011 57.841 55.803 0.045 0.000 0.846 130 Q CB -1.079 27.674 28.738 0.025 0.000 0.909 130 Q HN 1.936 nan 8.270 nan 0.000 0.427 131 I N 1.334 121.951 120.570 0.078 0.000 2.696 131 I HA 0.362 4.533 4.170 0.001 0.000 0.284 131 I C 0.336 176.505 176.117 0.086 0.000 1.129 131 I CA 0.015 61.389 61.300 0.124 0.000 1.410 131 I CB -0.084 37.964 38.000 0.081 0.000 1.399 131 I HN 0.240 nan 8.210 nan 0.000 0.579 132 I N 4.552 125.162 120.570 0.066 0.000 2.500 132 I HA 0.634 4.805 4.170 0.001 0.000 0.286 132 I C 0.445 176.524 176.117 -0.063 0.000 1.063 132 I CA -0.349 60.977 61.300 0.042 0.000 1.062 132 I CB 1.729 39.719 38.000 -0.016 0.000 1.223 132 I HN 0.878 nan 8.210 nan 0.000 0.435 133 G N 4.267 112.858 108.800 -0.349 0.000 3.013 133 G HA2 0.770 4.731 3.960 0.001 0.000 0.278 133 G HA3 0.770 4.731 3.960 0.001 0.000 0.278 133 G C -1.293 173.440 174.900 -0.279 0.000 1.353 133 G CA -0.633 43.991 45.100 -0.793 0.000 1.043 133 G HN 0.775 nan 8.290 nan 0.000 0.523 134 C N -2.373 117.013 119.300 0.144 0.000 3.082 134 C HA 0.702 5.163 4.460 0.001 0.000 0.324 134 C C -0.868 174.430 174.990 0.513 0.000 1.210 134 C CA -1.430 57.816 59.018 0.379 0.000 1.366 134 C CB 0.441 28.340 27.740 0.266 0.000 1.756 134 C HN 0.791 nan 8.230 nan 0.000 0.485 135 Y N 2.366 122.859 120.300 0.321 0.000 2.537 135 Y HA 0.445 4.996 4.550 0.001 0.000 0.339 135 Y C 0.507 176.566 175.900 0.265 0.000 1.066 135 Y CA 0.851 59.110 58.100 0.265 0.000 1.357 135 Y CB 0.460 39.044 38.460 0.206 0.000 1.175 135 Y HN 1.090 nan 8.280 nan 0.000 0.525 136 A N 6.863 129.819 122.820 0.227 0.000 2.399 136 A HA 0.334 4.655 4.320 0.001 0.000 0.327 136 A C 0.028 177.807 177.584 0.325 0.000 1.367 136 A CA -0.439 51.759 52.037 0.268 0.000 0.842 136 A CB 0.884 20.011 19.000 0.212 0.000 1.142 136 A HN 0.957 nan 8.150 nan 0.000 0.495 137 Q N 1.394 121.396 119.800 0.338 0.000 2.361 137 Q HA 0.120 4.461 4.340 0.001 0.000 0.182 137 Q C -0.069 176.072 176.000 0.235 0.000 0.650 137 Q CA 0.305 56.269 55.803 0.269 0.000 0.842 137 Q CB 0.767 29.593 28.738 0.147 0.000 1.211 137 Q HN 0.595 nan 8.270 nan 0.000 0.502 138 T N 2.721 117.429 114.554 0.257 0.000 2.831 138 T HA 0.046 4.396 4.350 0.001 0.000 0.291 138 T C -0.416 174.471 174.700 0.312 0.000 0.981 138 T CA 0.536 62.800 62.100 0.272 0.000 1.174 138 T CB 0.471 69.525 68.868 0.309 0.000 0.929 138 T HN 0.186 nan 8.240 nan 0.000 0.532 139 E N 1.986 122.349 120.200 0.272 0.000 2.292 139 E HA 0.294 4.644 4.350 0.001 0.000 0.258 139 E C 1.266 177.995 176.600 0.214 0.000 1.115 139 E CA -0.824 55.726 56.400 0.250 0.000 0.929 139 E CB 1.064 30.898 29.700 0.223 0.000 1.161 139 E HN 0.449 nan 8.360 nan 0.000 0.453 140 L N 0.596 121.876 121.223 0.094 0.000 2.131 140 L HA -0.132 4.209 4.340 0.001 0.000 0.210 140 L C 1.822 178.569 176.870 -0.204 0.000 1.092 140 L CA 1.568 56.286 54.840 -0.203 0.000 0.759 140 L CB -0.192 41.655 42.059 -0.352 0.000 0.903 140 L HN 0.710 nan 8.230 nan 0.000 0.435 141 G N -2.840 105.872 108.800 -0.148 0.000 2.762 141 G HA2 0.016 3.976 3.960 0.001 0.000 0.209 141 G HA3 0.016 3.976 3.960 0.001 0.000 0.209 141 G C -0.341 174.201 174.900 -0.597 0.000 1.134 141 G CA -0.151 44.730 45.100 -0.366 0.000 0.781 141 G HN 0.411 nan 8.290 nan 0.000 0.528 142 H N -1.935 117.155 119.070 0.033 0.000 2.782 142 H HA 0.564 5.121 4.556 0.001 0.000 0.347 142 H C 0.639 176.011 175.328 0.073 0.000 1.038 142 H CA -0.050 56.024 56.048 0.043 0.000 1.255 142 H CB 2.193 31.977 29.762 0.036 0.000 1.623 142 H HN 0.079 nan 8.280 nan 0.000 0.525 143 G N 0.645 109.535 108.800 0.149 0.000 2.604 143 G HA2 -0.070 3.890 3.960 0.001 0.000 0.202 143 G HA3 -0.070 3.890 3.960 0.001 0.000 0.202 143 G C 1.254 176.194 174.900 0.066 0.000 1.212 143 G CA 0.200 45.369 45.100 0.115 0.000 0.627 143 G HN 0.483 nan 8.290 nan 0.000 0.850 144 S N 0.934 116.660 115.700 0.044 0.000 2.353 144 S HA -0.112 4.358 4.470 0.001 0.000 0.222 144 S C 1.261 175.884 174.600 0.038 0.000 1.035 144 S CA 1.122 59.336 58.200 0.023 0.000 1.025 144 S CB -0.283 62.923 63.200 0.011 0.000 0.902 144 S HN 0.389 nan 8.310 nan 0.000 0.440 145 N N 1.469 120.213 118.700 0.073 0.000 2.482 145 N HA 0.151 4.892 4.740 0.001 0.000 0.242 145 N C 0.330 175.874 175.510 0.057 0.000 1.100 145 N CA 0.030 53.121 53.050 0.070 0.000 0.946 145 N CB 0.888 39.435 38.487 0.100 0.000 1.227 145 N HN -0.064 nan 8.380 nan 0.000 0.508 146 V N 2.659 122.586 119.914 0.022 0.000 2.719 146 V HA -0.076 4.045 4.120 0.001 0.000 0.252 146 V C 1.707 177.792 176.094 -0.015 0.000 1.065 146 V CA 1.202 63.504 62.300 0.002 0.000 1.086 146 V CB -0.231 31.578 31.823 -0.023 0.000 0.700 146 V HN 0.632 nan 8.190 nan 0.000 0.467 147 Q N 0.037 119.827 119.800 -0.017 0.000 2.472 147 Q HA 0.060 4.400 4.340 0.001 0.000 0.208 147 Q C 1.896 177.854 176.000 -0.070 0.000 0.958 147 Q CA 1.018 56.805 55.803 -0.027 0.000 0.932 147 Q CB -0.093 28.638 28.738 -0.011 0.000 1.007 147 Q HN 0.622 nan 8.270 nan 0.000 0.508 148 G N -0.500 108.222 108.800 -0.131 0.000 3.393 148 G HA2 0.240 4.201 3.960 0.001 0.000 0.255 148 G HA3 0.240 4.201 3.960 0.001 0.000 0.255 148 G C 0.342 174.839 174.900 -0.671 0.000 1.097 148 G CA -0.345 44.550 45.100 -0.341 0.000 0.780 148 G HN 0.133 nan 8.290 nan 0.000 0.540 149 L N 0.409 121.454 121.223 -0.298 0.000 2.506 149 L HA 0.104 4.445 4.340 0.001 0.000 0.281 149 L C 1.299 178.081 176.870 -0.147 0.000 1.228 149 L CA 0.297 55.041 54.840 -0.160 0.000 0.850 149 L CB 0.753 42.818 42.059 0.010 0.000 1.110 149 L HN 0.235 nan 8.230 nan 0.000 0.496 150 E N 0.625 120.793 120.200 -0.054 0.000 2.290 150 E HA 0.044 4.395 4.350 0.001 0.000 0.197 150 E C 0.761 177.360 176.600 -0.003 0.000 0.948 150 E CA 0.431 56.816 56.400 -0.025 0.000 0.895 150 E CB 0.241 29.960 29.700 0.031 0.000 0.865 150 E HN 0.899 nan 8.360 nan 0.000 0.486 151 T N 2.520 117.082 114.554 0.013 0.000 2.758 151 T HA 0.068 4.419 4.350 0.001 0.000 0.281 151 T C 0.434 175.110 174.700 -0.039 0.000 0.963 151 T CA 0.304 62.396 62.100 -0.013 0.000 1.201 151 T CB -0.414 68.463 68.868 0.014 0.000 0.906 151 T HN 0.021 nan 8.240 nan 0.000 0.528 152 T N 0.297 114.828 114.554 -0.039 0.000 2.922 152 T HA 0.685 5.036 4.350 0.001 0.000 0.285 152 T C -0.016 174.632 174.700 -0.087 0.000 1.005 152 T CA -0.299 61.789 62.100 -0.020 0.000 1.061 152 T CB 1.525 70.416 68.868 0.039 0.000 1.007 152 T HN 1.067 nan 8.240 nan 0.000 0.502 153 A N 2.670 125.447 122.820 -0.072 0.000 2.586 153 A HA 0.578 4.899 4.320 0.001 0.000 0.320 153 A C 0.297 177.990 177.584 0.181 0.000 1.281 153 A CA -0.848 51.126 52.037 -0.105 0.000 0.775 153 A CB 0.171 18.842 19.000 -0.549 0.000 1.122 153 A HN 0.854 nan 8.150 nan 0.000 0.470 154 T N 2.722 117.377 114.554 0.169 0.000 2.737 154 T HA 0.311 4.662 4.350 0.001 0.000 0.296 154 T C -0.046 174.784 174.700 0.217 0.000 0.922 154 T CA 0.143 62.353 62.100 0.185 0.000 1.079 154 T CB -0.140 68.784 68.868 0.093 0.000 0.892 154 T HN 0.455 nan 8.240 nan 0.000 0.514 155 F N 3.709 123.705 119.950 0.076 0.000 2.572 155 F HA 0.230 4.758 4.527 0.001 0.000 0.370 155 F C 0.426 176.119 175.800 -0.178 0.000 1.103 155 F CA -1.121 56.719 58.000 -0.267 0.000 1.286 155 F CB 0.376 39.166 39.000 -0.350 0.000 1.105 155 F HN 0.424 nan 8.300 nan 0.000 0.583 156 D N 7.882 127.647 120.400 -1.059 0.000 2.274 156 D HA 0.337 4.977 4.640 0.001 0.000 0.239 156 D C -2.131 173.430 176.300 -1.233 0.000 1.104 156 D CA -2.488 51.015 54.000 -0.829 0.000 0.840 156 D CB 1.816 42.337 40.800 -0.466 0.000 1.100 156 D HN 0.202 nan 8.370 nan 0.000 0.477 157 P HA -0.084 nan 4.420 nan 0.000 0.212 157 P C 1.128 178.271 177.300 -0.262 0.000 1.180 157 P CA 1.723 64.580 63.100 -0.404 0.000 0.906 157 P CB -0.042 31.555 31.700 -0.171 0.000 0.782 158 Q N -0.514 119.163 119.800 -0.205 0.000 2.557 158 Q HA 0.055 4.396 4.340 0.001 0.000 0.217 158 Q C 1.152 177.078 176.000 -0.123 0.000 0.978 158 Q CA 1.634 57.360 55.803 -0.129 0.000 0.950 158 Q CB -1.291 27.386 28.738 -0.102 0.000 0.991 158 Q HN 0.264 nan 8.270 nan 0.000 0.533 159 T N -1.298 113.153 114.554 -0.172 0.000 5.111 159 T HA 0.272 4.623 4.350 0.001 0.000 0.256 159 T C -0.631 173.985 174.700 -0.140 0.000 0.925 159 T CA 0.377 62.404 62.100 -0.121 0.000 0.924 159 T CB -0.807 68.010 68.868 -0.084 0.000 0.719 159 T HN 0.580 nan 8.240 nan 0.000 0.384 160 D N 0.408 120.700 120.400 -0.180 0.000 2.697 160 D HA -0.055 4.585 4.640 0.001 0.000 0.238 160 D C -0.025 176.287 176.300 0.020 0.000 1.152 160 D CA 2.158 56.162 54.000 0.008 0.000 0.666 160 D CB -0.737 40.124 40.800 0.102 0.000 1.037 160 D HN 1.074 nan 8.370 nan 0.000 0.423 161 E N -0.633 119.437 120.200 -0.217 0.000 2.458 161 E HA 0.689 5.040 4.350 0.001 0.000 0.278 161 E C -1.013 175.429 176.600 -0.263 0.000 1.004 161 E CA -0.695 55.636 56.400 -0.116 0.000 0.823 161 E CB 0.679 30.347 29.700 -0.053 0.000 1.396 161 E HN 0.126 nan 8.360 nan 0.000 0.463 162 F N 0.022 120.022 119.950 0.083 0.000 2.443 162 F HA 0.545 5.073 4.527 0.001 0.000 0.335 162 F C 0.493 176.245 175.800 -0.080 0.000 1.104 162 F CA -0.863 57.148 58.000 0.019 0.000 1.013 162 F CB 2.413 41.383 39.000 -0.049 0.000 1.136 162 F HN 0.360 nan 8.300 nan 0.000 0.470 163 V N 5.803 125.783 119.914 0.110 0.000 2.240 163 V HA 0.478 4.599 4.120 0.001 0.000 0.265 163 V C 0.092 176.195 176.094 0.015 0.000 1.073 163 V CA -0.359 61.976 62.300 0.058 0.000 0.857 163 V CB 0.040 31.898 31.823 0.058 0.000 1.114 163 V HN 0.655 nan 8.190 nan 0.000 0.469 164 I N 5.666 126.151 120.570 -0.142 0.000 2.349 164 I HA 0.443 4.614 4.170 0.001 0.000 0.302 164 I C 0.144 176.152 176.117 -0.183 0.000 1.180 164 I CA -0.080 61.026 61.300 -0.324 0.000 1.405 164 I CB -0.717 36.869 38.000 -0.690 0.000 1.474 164 I HN 0.895 nan 8.210 nan 0.000 0.632 165 H N 3.597 122.572 119.070 -0.158 0.000 2.467 165 H HA 0.634 5.191 4.556 0.001 0.000 0.331 165 H C 0.404 175.693 175.328 -0.065 0.000 1.120 165 H CA -0.188 55.768 56.048 -0.153 0.000 1.270 165 H CB 1.802 31.375 29.762 -0.315 0.000 1.466 165 H HN 0.596 nan 8.280 nan 0.000 0.504 166 S N 6.064 121.392 115.700 -0.621 0.000 2.466 166 S HA 0.215 4.686 4.470 0.001 0.000 0.313 166 S C -1.712 172.467 174.600 -0.702 0.000 1.078 166 S CA -1.486 56.448 58.200 -0.443 0.000 1.115 166 S CB 0.364 63.484 63.200 -0.132 0.000 1.006 166 S HN 0.675 nan 8.310 nan 0.000 0.487 167 P HA 0.013 nan 4.420 nan 0.000 0.221 167 P C 0.504 177.757 177.300 -0.077 0.000 1.150 167 P CA 0.911 63.905 63.100 -0.177 0.000 0.800 167 P CB -0.086 31.608 31.700 -0.009 0.000 0.787 168 T N -4.607 109.900 114.554 -0.079 0.000 2.778 168 T HA 0.357 4.708 4.350 0.001 0.000 0.293 168 T C 0.745 175.417 174.700 -0.047 0.000 1.144 168 T CA -0.808 61.269 62.100 -0.039 0.000 1.010 168 T CB 1.080 69.940 68.868 -0.012 0.000 1.325 168 T HN -0.141 nan 8.240 nan 0.000 0.515 169 L N 0.956 122.156 121.223 -0.038 0.000 2.093 169 L HA -0.006 4.334 4.340 0.001 0.000 0.208 169 L C 2.847 179.684 176.870 -0.055 0.000 1.085 169 L CA 2.388 57.201 54.840 -0.045 0.000 0.755 169 L CB -0.585 41.444 42.059 -0.050 0.000 0.904 169 L HN 1.065 nan 8.230 nan 0.000 0.435 170 T N -3.802 110.719 114.554 -0.055 0.000 2.915 170 T HA -0.118 4.232 4.350 0.001 0.000 0.269 170 T C 1.750 176.447 174.700 -0.005 0.000 1.071 170 T CA 1.083 63.142 62.100 -0.067 0.000 1.132 170 T CB -0.654 68.174 68.868 -0.067 0.000 0.878 170 T HN 0.510 nan 8.240 nan 0.000 0.479 171 S N 0.611 116.325 115.700 0.024 0.000 2.607 171 S HA 0.208 4.678 4.470 0.001 0.000 0.224 171 S C 0.996 175.639 174.600 0.071 0.000 0.969 171 S CA -0.246 57.991 58.200 0.063 0.000 0.927 171 S CB -0.445 62.772 63.200 0.028 0.000 0.772 171 S HN 0.434 nan 8.310 nan 0.000 0.533 172 S N 2.474 118.206 115.700 0.054 0.000 2.533 172 S HA 0.202 4.673 4.470 0.001 0.000 0.282 172 S C 0.271 174.976 174.600 0.176 0.000 1.304 172 S CA -0.513 57.739 58.200 0.086 0.000 1.063 172 S CB 0.077 63.319 63.200 0.071 0.000 0.881 172 S HN 0.229 nan 8.310 nan 0.000 0.493 173 K N 3.337 123.846 120.400 0.181 0.000 2.440 173 K HA 0.087 4.407 4.320 0.001 0.000 0.270 173 K C -0.346 176.445 176.600 0.319 0.000 0.980 173 K CA 0.214 56.640 56.287 0.231 0.000 0.953 173 K CB 0.249 32.860 32.500 0.185 0.000 0.925 173 K HN 0.771 nan 8.250 nan 0.000 0.497 174 W N 2.469 123.807 121.300 0.063 0.000 3.544 174 W HA 0.112 4.772 4.660 0.001 0.000 0.326 174 W C -0.793 175.807 176.519 0.136 0.000 1.137 174 W CA -0.561 56.771 57.345 -0.021 0.000 1.252 174 W CB 0.584 30.015 29.460 -0.049 0.000 1.302 174 W HN 0.830 nan 8.180 nan 0.000 0.467 175 W N 1.244 122.413 121.300 -0.218 0.000 0.377 175 W HA -0.196 4.464 4.660 0.001 0.000 0.216 175 W C -1.858 174.651 176.519 -0.017 0.000 0.922 175 W CA 0.311 57.590 57.345 -0.110 0.000 0.329 175 W CB -2.137 27.350 29.460 0.045 0.000 1.916 175 W HN 0.205 nan 8.180 nan 0.000 1.018 176 P HA 0.106 nan 4.420 nan 0.000 0.249 176 P C 0.591 178.023 177.300 0.220 0.000 1.140 176 P CA 1.918 65.172 63.100 0.256 0.000 0.803 176 P CB -0.345 31.494 31.700 0.231 0.000 0.745 177 G N 3.233 112.190 108.800 0.262 0.000 2.272 177 G HA2 0.293 4.254 3.960 0.001 0.000 0.247 177 G HA3 0.293 4.254 3.960 0.001 0.000 0.247 177 G C 1.195 176.238 174.900 0.239 0.000 1.272 177 G CA 0.326 45.577 45.100 0.252 0.000 0.921 177 G HN 0.822 nan 8.290 nan 0.000 0.495 178 G N 1.604 110.540 108.800 0.226 0.000 2.258 178 G HA2 -0.254 3.707 3.960 0.001 0.000 0.233 178 G HA3 -0.254 3.707 3.960 0.001 0.000 0.233 178 G C 1.263 176.258 174.900 0.159 0.000 1.006 178 G CA 0.710 45.959 45.100 0.248 0.000 0.620 178 G HN 1.225 nan 8.290 nan 0.000 0.511 179 L N 2.272 123.567 121.223 0.121 0.000 2.131 179 L HA 0.321 4.662 4.340 0.001 0.000 0.210 179 L C 2.642 179.515 176.870 0.004 0.000 1.092 179 L CA 3.000 57.877 54.840 0.061 0.000 0.759 179 L CB -1.069 41.018 42.059 0.046 0.000 0.903 179 L HN 0.483 nan 8.230 nan 0.000 0.435 180 G N -0.160 108.634 108.800 -0.010 0.000 2.721 180 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 180 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 180 G C 1.389 176.283 174.900 -0.011 0.000 1.265 180 G CA 1.326 46.395 45.100 -0.052 0.000 0.796 180 G HN 0.399 nan 8.290 nan 0.000 0.620 181 K N -0.509 119.941 120.400 0.084 0.000 2.529 181 K HA 0.199 4.520 4.320 0.001 0.000 0.215 181 K C 1.780 178.483 176.600 0.173 0.000 1.286 181 K CA 0.688 57.048 56.287 0.122 0.000 0.997 181 K CB 1.152 33.802 32.500 0.249 0.000 1.063 181 K HN 0.454 nan 8.250 nan 0.000 0.590 182 V N -1.581 118.398 119.914 0.109 0.000 3.643 182 V HA 0.264 4.385 4.120 0.001 0.000 0.280 182 V C 0.630 176.703 176.094 -0.035 0.000 1.351 182 V CA -0.302 61.973 62.300 -0.041 0.000 1.073 182 V CB 0.424 32.046 31.823 -0.336 0.000 0.863 182 V HN -0.107 nan 8.190 nan 0.000 0.436 183 S N 2.271 117.997 115.700 0.043 0.000 2.452 183 S HA 0.340 4.811 4.470 0.001 0.000 0.284 183 S C 1.426 176.069 174.600 0.071 0.000 1.171 183 S CA 0.398 58.629 58.200 0.052 0.000 1.064 183 S CB 1.403 64.641 63.200 0.064 0.000 0.967 183 S HN 0.752 nan 8.310 nan 0.000 0.484 184 T N 0.308 114.939 114.554 0.129 0.000 3.043 184 T HA 0.115 4.466 4.350 0.001 0.000 0.263 184 T C 0.274 174.964 174.700 -0.017 0.000 1.094 184 T CA 0.787 62.964 62.100 0.129 0.000 1.127 184 T CB -0.151 68.885 68.868 0.280 0.000 0.905 184 T HN 0.629 nan 8.240 nan 0.000 0.490 185 H N -0.042 119.061 119.070 0.055 0.000 2.985 185 H HA 0.776 5.333 4.556 0.001 0.000 0.360 185 H C -1.029 174.382 175.328 0.139 0.000 1.221 185 H CA -0.416 55.692 56.048 0.100 0.000 1.121 185 H CB 2.102 31.954 29.762 0.149 0.000 1.854 185 H HN 0.378 nan 8.280 nan 0.000 0.551 186 A N 0.962 123.980 122.820 0.330 0.000 2.465 186 A HA 0.442 4.763 4.320 0.001 0.000 0.292 186 A C -1.254 176.413 177.584 0.138 0.000 1.041 186 A CA -0.618 51.601 52.037 0.303 0.000 0.718 186 A CB 0.987 20.110 19.000 0.204 0.000 1.266 186 A HN 0.453 nan 8.150 nan 0.000 0.403 187 V N 3.474 123.400 119.914 0.020 0.000 2.324 187 V HA 0.098 4.219 4.120 0.001 0.000 0.244 187 V C 0.336 176.195 176.094 -0.392 0.000 1.144 187 V CA 0.123 62.219 62.300 -0.339 0.000 1.158 187 V CB -0.031 31.459 31.823 -0.555 0.000 1.254 187 V HN 0.573 nan 8.190 nan 0.000 0.492 188 V N 5.567 125.313 119.914 -0.280 0.000 2.546 188 V HA 0.286 4.406 4.120 0.001 0.000 0.284 188 V C -0.288 175.636 176.094 -0.283 0.000 1.050 188 V CA -0.453 61.750 62.300 -0.161 0.000 0.981 188 V CB 1.045 32.820 31.823 -0.081 0.000 0.990 188 V HN 0.640 nan 8.190 nan 0.000 0.474 189 Y N 2.870 123.161 120.300 -0.014 0.000 2.328 189 Y HA 0.676 5.227 4.550 0.001 0.000 0.337 189 Y C 0.363 176.287 175.900 0.039 0.000 1.008 189 Y CA -0.312 57.795 58.100 0.012 0.000 1.129 189 Y CB 1.749 40.186 38.460 -0.039 0.000 1.185 189 Y HN 0.714 nan 8.280 nan 0.000 0.476 190 A N 4.388 127.347 122.820 0.231 0.000 2.437 190 A HA 0.545 4.865 4.320 0.001 0.000 0.293 190 A C -0.776 176.895 177.584 0.145 0.000 1.038 190 A CA -1.046 51.054 52.037 0.104 0.000 0.708 190 A CB 1.040 19.939 19.000 -0.170 0.000 1.251 190 A HN 0.810 nan 8.150 nan 0.000 0.409 191 R N 0.505 121.048 120.500 0.071 0.000 2.566 191 R HA 0.063 4.404 4.340 0.001 0.000 0.273 191 R C -0.567 175.791 176.300 0.096 0.000 0.981 191 R CA 0.152 56.293 56.100 0.068 0.000 1.091 191 R CB 0.184 30.505 30.300 0.034 0.000 0.924 191 R HN 0.604 nan 8.270 nan 0.000 0.411 192 L N 5.198 126.495 121.223 0.122 0.000 2.276 192 L HA 0.360 4.701 4.340 0.001 0.000 0.286 192 L C -0.911 176.051 176.870 0.153 0.000 1.024 192 L CA -0.184 54.762 54.840 0.177 0.000 0.826 192 L CB 0.994 43.158 42.059 0.174 0.000 1.211 192 L HN 0.378 nan 8.230 nan 0.000 0.422 193 I N 4.521 125.199 120.570 0.179 0.000 2.354 193 I HA 0.452 4.623 4.170 0.001 0.000 0.286 193 I C 0.114 176.352 176.117 0.203 0.000 1.007 193 I CA -0.200 61.191 61.300 0.152 0.000 1.167 193 I CB 0.862 38.931 38.000 0.114 0.000 1.320 193 I HN 0.652 nan 8.210 nan 0.000 0.458 194 T N 3.839 118.495 114.554 0.170 0.000 2.916 194 T HA 0.407 4.758 4.350 0.001 0.000 0.298 194 T C -0.698 174.072 174.700 0.117 0.000 1.031 194 T CA -0.279 61.929 62.100 0.180 0.000 0.993 194 T CB 0.749 69.729 68.868 0.186 0.000 1.045 194 T HN 0.665 nan 8.240 nan 0.000 0.454 195 D N 2.593 123.059 120.400 0.110 0.000 2.772 195 D HA -0.152 4.489 4.640 0.001 0.000 0.233 195 D C 1.075 177.407 176.300 0.055 0.000 1.143 195 D CA 1.982 56.025 54.000 0.072 0.000 0.700 195 D CB -1.652 39.183 40.800 0.059 0.000 1.076 195 D HN 1.448 nan 8.370 nan 0.000 0.430 196 G N -2.104 106.730 108.800 0.057 0.000 2.175 196 G HA2 -0.105 3.856 3.960 0.001 0.000 0.265 196 G HA3 -0.105 3.856 3.960 0.001 0.000 0.265 196 G C 0.399 175.326 174.900 0.045 0.000 0.979 196 G CA 1.331 46.458 45.100 0.045 0.000 0.663 196 G HN 1.172 nan 8.290 nan 0.000 0.533 197 K N 0.152 120.584 120.400 0.052 0.000 2.259 197 K HA 0.672 4.992 4.320 0.001 0.000 0.252 197 K C -0.490 176.144 176.600 0.056 0.000 0.936 197 K CA -0.257 56.058 56.287 0.047 0.000 0.810 197 K CB 1.326 33.849 32.500 0.039 0.000 1.143 197 K HN 0.180 nan 8.250 nan 0.000 0.427 198 D N 1.774 122.202 120.400 0.047 0.000 2.422 198 D HA 0.238 4.878 4.640 0.001 0.000 0.227 198 D C 0.560 176.887 176.300 0.045 0.000 1.190 198 D CA 0.442 54.472 54.000 0.051 0.000 0.905 198 D CB -0.142 40.682 40.800 0.040 0.000 1.034 198 D HN 0.659 nan 8.370 nan 0.000 0.507 199 Y N 1.461 121.794 120.300 0.054 0.000 2.477 199 Y HA 0.426 4.977 4.550 0.001 0.000 0.303 199 Y C 1.412 177.333 175.900 0.035 0.000 1.202 199 Y CA 0.041 58.166 58.100 0.041 0.000 1.282 199 Y CB -0.656 37.829 38.460 0.042 0.000 1.071 199 Y HN 0.727 nan 8.280 nan 0.000 0.510 200 G N -1.094 107.730 108.800 0.041 0.000 2.699 200 G HA2 0.062 4.023 3.960 0.001 0.000 0.686 200 G HA3 0.062 4.023 3.960 0.001 0.000 0.686 200 G C -0.513 174.413 174.900 0.043 0.000 1.301 200 G CA -0.634 44.486 45.100 0.033 0.000 0.816 200 G HN 0.951 nan 8.290 nan 0.000 0.595 201 V N 3.166 123.108 119.914 0.046 0.000 2.450 201 V HA 0.220 4.341 4.120 0.001 0.000 0.281 201 V C 0.814 176.960 176.094 0.087 0.000 1.019 201 V CA 0.153 62.502 62.300 0.081 0.000 1.062 201 V CB 0.384 32.251 31.823 0.074 0.000 0.979 201 V HN 0.687 nan 8.190 nan 0.000 0.477 202 N N 2.763 121.512 118.700 0.081 0.000 2.653 202 N HA 0.645 5.386 4.740 0.001 0.000 0.294 202 N C -0.079 175.263 175.510 -0.281 0.000 1.305 202 N CA -0.268 52.706 53.050 -0.127 0.000 0.827 202 N CB 2.371 40.613 38.487 -0.408 0.000 1.415 202 N HN 0.657 nan 8.380 nan 0.000 0.546 203 G N -0.066 108.299 108.800 -0.724 0.000 2.420 203 G HA2 0.706 4.667 3.960 0.001 0.000 0.331 203 G HA3 0.706 4.667 3.960 0.001 0.000 0.331 203 G C -1.532 172.740 174.900 -1.046 0.000 1.168 203 G CA -0.244 44.263 45.100 -0.988 0.000 0.936 203 G HN 0.273 nan 8.290 nan 0.000 0.479 204 F N 0.051 119.632 119.950 -0.615 0.000 2.573 204 F HA 0.511 5.039 4.527 0.001 0.000 0.316 204 F C 0.604 176.135 175.800 -0.448 0.000 1.148 204 F CA -1.284 56.424 58.000 -0.486 0.000 0.940 204 F CB 1.282 40.002 39.000 -0.468 0.000 1.214 204 F HN 0.601 nan 8.300 nan 0.000 0.448 205 I N 2.684 123.068 120.570 -0.310 0.000 2.517 205 I HA 0.585 4.755 4.170 0.001 0.000 0.285 205 I C -0.488 175.510 176.117 -0.198 0.000 1.106 205 I CA -0.325 60.722 61.300 -0.422 0.000 1.402 205 I CB 0.219 37.668 38.000 -0.918 0.000 1.399 205 I HN 0.460 nan 8.210 nan 0.000 0.535 206 V N 6.748 126.634 119.914 -0.047 0.000 2.524 206 V HA 0.286 4.406 4.120 0.001 0.000 0.297 206 V C 0.116 176.215 176.094 0.009 0.000 1.035 206 V CA -0.862 61.452 62.300 0.023 0.000 0.867 206 V CB 1.444 33.246 31.823 -0.035 0.000 1.004 206 V HN 0.981 nan 8.190 nan 0.000 0.426 207 Q N 2.632 122.364 119.800 -0.112 0.000 2.283 207 Q HA 0.139 4.480 4.340 0.001 0.000 0.301 207 Q C 0.759 176.638 176.000 -0.201 0.000 1.063 207 Q CA 0.728 56.215 55.803 -0.527 0.000 0.952 207 Q CB 1.181 29.807 28.738 -0.187 0.000 1.166 207 Q HN 0.841 nan 8.270 nan 0.000 0.381 208 L N 0.981 122.071 121.223 -0.221 0.000 2.600 208 L HA 0.356 4.697 4.340 0.001 0.000 0.213 208 L C 1.182 177.980 176.870 -0.119 0.000 1.045 208 L CA 1.335 56.122 54.840 -0.088 0.000 0.863 208 L CB -0.744 41.279 42.059 -0.060 0.000 1.189 208 L HN 0.666 nan 8.230 nan 0.000 0.484 209 R N -0.642 119.766 120.500 -0.153 0.000 2.939 209 R HA 0.810 5.151 4.340 0.001 0.000 0.254 209 R C 0.395 176.656 176.300 -0.065 0.000 1.123 209 R CA 0.130 56.134 56.100 -0.160 0.000 1.020 209 R CB 0.292 30.380 30.300 -0.352 0.000 1.206 209 R HN 0.821 nan 8.270 nan 0.000 0.491 210 S N -0.485 115.203 115.700 -0.021 0.000 2.586 210 S HA 0.347 4.818 4.470 0.001 0.000 0.274 210 S C 0.560 175.222 174.600 0.104 0.000 1.281 210 S CA -0.511 57.713 58.200 0.041 0.000 1.035 210 S CB 0.466 63.685 63.200 0.032 0.000 0.962 210 S HN 0.514 nan 8.310 nan 0.000 0.512 211 L N 3.410 124.693 121.223 0.101 0.000 2.682 211 L HA 0.307 4.648 4.340 0.001 0.000 0.240 211 L C 1.630 178.543 176.870 0.071 0.000 1.178 211 L CA 0.924 55.828 54.840 0.107 0.000 0.970 211 L CB -0.835 41.290 42.059 0.111 0.000 1.179 211 L HN 0.988 nan 8.230 nan 0.000 0.435 212 E N -0.872 119.369 120.200 0.068 0.000 2.926 212 E HA -0.082 4.269 4.350 0.001 0.000 0.232 212 E C 1.192 177.819 176.600 0.046 0.000 1.095 212 E CA 0.530 56.955 56.400 0.042 0.000 1.755 212 E CB -0.152 29.567 29.700 0.032 0.000 2.411 212 E HN 0.430 nan 8.360 nan 0.000 1.046 213 D N -1.247 119.189 120.400 0.060 0.000 2.369 213 D HA 0.082 4.723 4.640 0.001 0.000 0.211 213 D C 0.765 177.130 176.300 0.109 0.000 1.077 213 D CA 0.755 54.791 54.000 0.060 0.000 0.842 213 D CB -0.117 40.704 40.800 0.034 0.000 0.947 213 D HN 0.446 nan 8.370 nan 0.000 0.509 214 H N -0.762 118.300 119.070 -0.014 0.000 3.538 214 H HA -0.264 4.293 4.556 0.001 0.000 0.237 214 H C 0.444 175.758 175.328 -0.024 0.000 1.048 214 H CA 1.381 57.416 56.048 -0.023 0.000 1.204 214 H CB -1.851 27.891 29.762 -0.034 0.000 1.226 214 H HN 0.529 nan 8.280 nan 0.000 0.318 215 K N 0.823 121.207 120.400 -0.027 0.000 2.355 215 K HA 0.435 4.756 4.320 0.001 0.000 0.270 215 K C -2.326 174.213 176.600 -0.100 0.000 1.003 215 K CA -0.604 55.644 56.287 -0.066 0.000 0.957 215 K CB -0.299 32.186 32.500 -0.025 0.000 0.939 215 K HN 0.276 nan 8.250 nan 0.000 0.482 216 P HA 0.205 nan 4.420 nan 0.000 0.271 216 P C -0.356 176.909 177.300 -0.057 0.000 1.218 216 P CA -0.483 62.555 63.100 -0.103 0.000 0.780 216 P CB 0.375 32.009 31.700 -0.109 0.000 0.901 217 L N 3.742 124.939 121.223 -0.043 0.000 2.452 217 L HA 0.243 4.583 4.340 0.001 0.000 0.267 217 L C -1.820 175.054 176.870 0.006 0.000 1.188 217 L CA -2.046 52.791 54.840 -0.006 0.000 0.821 217 L CB -0.738 41.330 42.059 0.015 0.000 1.102 217 L HN 0.216 nan 8.230 nan 0.000 0.470 218 P HA -0.055 nan 4.420 nan 0.000 0.259 218 P C 0.821 178.155 177.300 0.056 0.000 1.163 218 P CA 1.293 64.412 63.100 0.031 0.000 0.760 218 P CB 0.453 32.174 31.700 0.035 0.000 0.762 219 G N 1.701 110.531 108.800 0.049 0.000 2.253 219 G HA2 -0.249 3.712 3.960 0.001 0.000 0.251 219 G HA3 -0.249 3.712 3.960 0.001 0.000 0.251 219 G C 0.105 175.020 174.900 0.026 0.000 0.998 219 G CA 0.009 45.156 45.100 0.079 0.000 0.621 219 G HN 0.538 nan 8.290 nan 0.000 0.524 220 V N 2.832 122.728 119.914 -0.030 0.000 2.338 220 V HA 0.459 4.580 4.120 0.001 0.000 0.255 220 V C 0.616 176.586 176.094 -0.206 0.000 1.082 220 V CA 0.408 62.595 62.300 -0.188 0.000 0.951 220 V CB 0.825 32.578 31.823 -0.117 0.000 1.102 220 V HN 0.290 nan 8.190 nan 0.000 0.489 221 T N 5.511 119.910 114.554 -0.258 0.000 2.743 221 T HA 0.556 4.906 4.350 0.001 0.000 0.293 221 T C -0.025 174.541 174.700 -0.223 0.000 0.945 221 T CA -0.238 61.748 62.100 -0.190 0.000 1.030 221 T CB 1.115 69.902 68.868 -0.135 0.000 0.912 221 T HN 0.490 nan 8.240 nan 0.000 0.483 222 V N 1.032 120.843 119.914 -0.173 0.000 3.001 222 V HA 1.078 5.199 4.120 0.001 0.000 0.314 222 V C 0.360 176.375 176.094 -0.131 0.000 1.099 222 V CA -0.827 61.374 62.300 -0.164 0.000 0.989 222 V CB 1.788 33.515 31.823 -0.160 0.000 1.040 222 V HN 1.083 nan 8.190 nan 0.000 0.434 223 G N 0.425 109.142 108.800 -0.139 0.000 2.342 223 G HA2 0.388 4.349 3.960 0.001 0.000 0.297 223 G HA3 0.388 4.349 3.960 0.001 0.000 0.297 223 G C -2.285 172.502 174.900 -0.188 0.000 1.313 223 G CA -0.459 44.558 45.100 -0.138 0.000 0.830 223 G HN 0.799 nan 8.290 nan 0.000 0.506 224 D N -0.673 119.604 120.400 -0.205 0.000 2.229 224 D HA 0.368 5.009 4.640 0.001 0.000 0.249 224 D C 1.541 177.621 176.300 -0.368 0.000 1.027 224 D CA -0.520 53.310 54.000 -0.283 0.000 0.923 224 D CB 1.881 42.524 40.800 -0.261 0.000 1.174 224 D HN 0.382 nan 8.370 nan 0.000 0.443 225 I N 0.070 120.307 120.570 -0.555 0.000 2.928 225 I HA 0.320 4.490 4.170 0.001 0.000 0.266 225 I C 1.088 176.957 176.117 -0.413 0.000 1.234 225 I CA 0.248 61.084 61.300 -0.773 0.000 1.483 225 I CB -0.207 36.892 38.000 -1.503 0.000 1.097 225 I HN 0.513 nan 8.210 nan 0.000 0.455 226 G N 0.559 109.183 108.800 -0.293 0.000 2.343 226 G HA2 0.051 4.012 3.960 0.001 0.000 0.465 226 G HA3 0.051 4.012 3.960 0.001 0.000 0.465 226 G C -0.758 174.065 174.900 -0.128 0.000 1.282 226 G CA -0.713 44.291 45.100 -0.160 0.000 0.996 226 G HN 0.090 nan 8.290 nan 0.000 0.521 227 M N 0.630 120.192 119.600 -0.063 0.000 2.227 227 M HA 0.609 5.089 4.480 0.001 0.000 0.316 227 M C 0.628 176.942 176.300 0.023 0.000 1.144 227 M CA 0.277 55.562 55.300 -0.025 0.000 1.121 227 M CB 1.067 33.660 32.600 -0.012 0.000 1.440 227 M HN 1.124 nan 8.290 nan 0.000 0.473 228 K N 0.446 120.882 120.400 0.060 0.000 2.443 228 K HA 0.754 5.075 4.320 0.001 0.000 0.251 228 K C -0.405 176.244 176.600 0.083 0.000 0.972 228 K CA -0.378 55.975 56.287 0.111 0.000 0.833 228 K CB 0.410 33.023 32.500 0.188 0.000 1.317 228 K HN 0.671 nan 8.250 nan 0.000 0.441 229 F N 0.396 120.391 119.950 0.074 0.000 2.537 229 F HA 0.405 4.933 4.527 0.001 0.000 0.402 229 F C 1.500 177.326 175.800 0.044 0.000 1.005 229 F CA 1.015 59.045 58.000 0.050 0.000 1.203 229 F CB -1.109 37.914 39.000 0.038 0.000 0.955 229 F HN 2.201 nan 8.300 nan 0.000 0.547 230 G N 2.726 111.542 108.800 0.027 0.000 2.895 230 G HA2 -0.077 3.884 3.960 0.001 0.000 0.686 230 G HA3 -0.077 3.884 3.960 0.001 0.000 0.686 230 G C -0.512 174.394 174.900 0.010 0.000 1.108 230 G CA -0.463 44.643 45.100 0.011 0.000 0.761 230 G HN 1.494 nan 8.290 nan 0.000 0.611 231 N N 1.831 120.524 118.700 -0.012 0.000 2.414 231 N HA 0.397 5.137 4.740 0.001 0.000 0.268 231 N C 1.260 176.769 175.510 -0.002 0.000 1.286 231 N CA 1.975 55.017 53.050 -0.012 0.000 0.896 231 N CB 0.950 39.418 38.487 -0.032 0.000 1.093 231 N HN 2.065 nan 8.380 nan 0.000 0.480 232 G N 1.587 110.394 108.800 0.012 0.000 2.481 232 G HA2 0.084 4.044 3.960 0.001 0.000 0.230 232 G HA3 0.084 4.044 3.960 0.001 0.000 0.230 232 G C 0.164 175.092 174.900 0.047 0.000 1.210 232 G CA 0.260 45.373 45.100 0.022 0.000 0.936 232 G HN 1.247 nan 8.290 nan 0.000 0.583 233 A N -2.347 120.504 122.820 0.051 0.000 5.295 233 A HA -0.241 4.080 4.320 0.001 0.000 0.313 233 A C 1.286 178.938 177.584 0.114 0.000 1.912 233 A CA 2.657 54.752 52.037 0.096 0.000 0.714 233 A CB -1.515 17.566 19.000 0.135 0.000 1.319 233 A HN 2.265 nan 8.150 nan 0.000 0.375 234 Y N 2.202 122.523 120.300 0.034 0.000 2.578 234 Y HA 0.021 4.572 4.550 0.001 0.000 0.297 234 Y C 2.237 178.158 175.900 0.035 0.000 1.176 234 Y CA 1.220 59.349 58.100 0.048 0.000 1.315 234 Y CB -0.053 38.446 38.460 0.064 0.000 1.031 234 Y HN 0.504 nan 8.280 nan 0.000 0.524 235 N N -0.551 118.224 118.700 0.125 0.000 2.396 235 N HA -0.133 4.608 4.740 0.001 0.000 0.180 235 N C 2.139 177.645 175.510 -0.008 0.000 1.028 235 N CA 1.111 54.182 53.050 0.035 0.000 0.893 235 N CB -0.220 38.280 38.487 0.021 0.000 0.967 235 N HN 0.461 nan 8.380 nan 0.000 0.440 236 S N 0.783 116.503 115.700 0.034 0.000 2.469 236 S HA -0.059 4.412 4.470 0.001 0.000 0.238 236 S C 1.069 175.735 174.600 0.110 0.000 0.998 236 S CA 0.782 59.035 58.200 0.088 0.000 0.957 236 S CB -0.177 63.062 63.200 0.066 0.000 0.764 236 S HN 0.208 nan 8.310 nan 0.000 0.514 237 M N 1.721 121.329 119.600 0.013 0.000 2.300 237 M HA 0.497 4.977 4.480 0.001 0.000 0.348 237 M C -0.368 175.919 176.300 -0.021 0.000 1.151 237 M CA 0.013 55.331 55.300 0.031 0.000 1.046 237 M CB 1.298 33.861 32.600 -0.063 0.000 1.647 237 M HN 0.109 nan 8.290 nan 0.000 0.451 238 D N 3.823 124.236 120.400 0.022 0.000 2.741 238 D HA 0.276 4.916 4.640 0.001 0.000 0.233 238 D C -0.489 175.806 176.300 -0.009 0.000 1.160 238 D CA -0.467 53.481 54.000 -0.087 0.000 1.003 238 D CB -0.970 39.840 40.800 0.017 0.000 1.064 238 D HN 0.918 nan 8.370 nan 0.000 0.503 239 N N 0.167 118.864 118.700 -0.004 0.000 2.412 239 N HA 0.425 5.165 4.740 0.001 0.000 0.254 239 N C 0.740 176.118 175.510 -0.220 0.000 1.232 239 N CA 0.608 53.652 53.050 -0.010 0.000 0.880 239 N CB 1.259 39.789 38.487 0.072 0.000 1.076 239 N HN 0.530 nan 8.380 nan 0.000 0.458 240 G N 0.146 108.825 108.800 -0.200 0.000 2.441 240 G HA2 0.542 4.502 3.960 0.001 0.000 0.334 240 G HA3 0.542 4.502 3.960 0.001 0.000 0.334 240 G C -1.186 173.456 174.900 -0.429 0.000 1.161 240 G CA -0.488 44.457 45.100 -0.258 0.000 0.935 240 G HN 0.452 nan 8.290 nan 0.000 0.488 241 V N 1.518 121.215 119.914 -0.362 0.000 2.656 241 V HA 0.840 4.961 4.120 0.001 0.000 0.307 241 V C -1.454 174.562 176.094 -0.129 0.000 1.051 241 V CA -0.906 61.239 62.300 -0.259 0.000 0.893 241 V CB 1.584 33.222 31.823 -0.307 0.000 0.999 241 V HN 0.824 nan 8.190 nan 0.000 0.426 242 L N 5.906 127.092 121.223 -0.063 0.000 2.580 242 L HA 0.901 5.242 4.340 0.001 0.000 0.266 242 L C -0.260 176.506 176.870 -0.173 0.000 0.955 242 L CA 0.565 55.305 54.840 -0.167 0.000 0.886 242 L CB 1.613 43.566 42.059 -0.176 0.000 1.263 242 L HN 0.969 nan 8.230 nan 0.000 0.406 243 S N 3.980 119.532 115.700 -0.246 0.000 2.454 243 S HA 0.783 5.253 4.470 0.001 0.000 0.306 243 S C -0.679 173.725 174.600 -0.326 0.000 1.100 243 S CA -0.394 57.691 58.200 -0.191 0.000 1.087 243 S CB 0.443 63.584 63.200 -0.100 0.000 1.019 243 S HN 0.429 nan 8.310 nan 0.000 0.480 244 F N 0.948 120.843 119.950 -0.091 0.000 2.440 244 F HA 0.523 5.050 4.527 0.001 0.000 0.328 244 F C 0.421 176.183 175.800 -0.063 0.000 1.070 244 F CA -0.159 57.795 58.000 -0.075 0.000 1.011 244 F CB 1.892 40.845 39.000 -0.078 0.000 1.226 244 F HN 0.535 nan 8.300 nan 0.000 0.491 245 D N 0.154 120.748 120.400 0.324 0.000 2.735 245 D HA 0.220 4.861 4.640 0.001 0.000 0.291 245 D C -0.993 175.463 176.300 0.260 0.000 1.205 245 D CA -0.290 53.887 54.000 0.295 0.000 0.777 245 D CB -0.578 40.323 40.800 0.168 0.000 1.234 245 D HN 0.615 nan 8.370 nan 0.000 0.520 246 H N -0.647 118.629 119.070 0.342 0.000 2.756 246 H HA -0.144 4.413 4.556 0.001 0.000 0.315 246 H C -0.287 175.080 175.328 0.065 0.000 1.210 246 H CA 0.228 56.317 56.048 0.068 0.000 1.150 246 H CB -1.125 28.578 29.762 -0.100 0.000 1.463 246 H HN 0.075 nan 8.280 nan 0.000 0.427 247 V N 1.314 121.329 119.914 0.168 0.000 2.415 247 V HA 0.012 4.133 4.120 0.001 0.000 0.267 247 V C 1.107 177.220 176.094 0.030 0.000 1.042 247 V CA 0.125 62.493 62.300 0.114 0.000 1.000 247 V CB 0.832 32.766 31.823 0.184 0.000 1.015 247 V HN 0.355 nan 8.190 nan 0.000 0.478 248 R N 4.791 125.321 120.500 0.050 0.000 2.248 248 R HA 0.628 4.968 4.340 0.001 0.000 0.328 248 R C -0.454 175.879 176.300 0.054 0.000 1.067 248 R CA -0.064 56.059 56.100 0.038 0.000 0.924 248 R CB 0.591 30.904 30.300 0.022 0.000 1.013 248 R HN 0.674 nan 8.270 nan 0.000 0.454 249 I N 3.812 124.429 120.570 0.079 0.000 2.740 249 I HA 0.590 4.761 4.170 0.001 0.000 0.303 249 I C -2.301 173.933 176.117 0.195 0.000 1.044 249 I CA -3.130 58.243 61.300 0.121 0.000 1.064 249 I CB 1.506 39.558 38.000 0.086 0.000 1.249 249 I HN 0.629 nan 8.210 nan 0.000 0.433 250 P HA 0.241 nan 4.420 nan 0.000 0.281 250 P C 0.524 178.016 177.300 0.320 0.000 1.274 250 P CA -0.071 63.156 63.100 0.212 0.000 0.794 250 P CB 0.548 32.365 31.700 0.194 0.000 1.201 251 R N 0.451 121.107 120.500 0.261 0.000 2.146 251 R HA -0.049 4.292 4.340 0.001 0.000 0.206 251 R C 1.092 177.554 176.300 0.269 0.000 1.049 251 R CA 0.790 57.072 56.100 0.303 0.000 1.029 251 R CB -0.454 29.942 30.300 0.161 0.000 0.949 251 R HN 0.491 nan 8.270 nan 0.000 0.471 252 D N 0.140 120.656 120.400 0.192 0.000 2.390 252 D HA -0.163 4.478 4.640 0.001 0.000 0.235 252 D C 0.857 177.249 176.300 0.154 0.000 1.040 252 D CA 0.676 54.768 54.000 0.153 0.000 0.923 252 D CB 0.126 41.014 40.800 0.147 0.000 0.886 252 D HN 0.308 nan 8.370 nan 0.000 0.532 253 Q N -0.955 118.948 119.800 0.172 0.000 2.149 253 Q HA 0.228 4.568 4.340 0.001 0.000 0.221 253 Q C 0.149 176.143 176.000 -0.010 0.000 0.807 253 Q CA -0.360 55.496 55.803 0.088 0.000 1.000 253 Q CB 0.628 29.460 28.738 0.158 0.000 1.157 253 Q HN 0.254 nan 8.270 nan 0.000 0.487 254 M N 1.504 121.090 119.600 -0.025 0.000 2.180 254 M HA 0.355 4.836 4.480 0.001 0.000 0.358 254 M C -0.572 175.496 176.300 -0.385 0.000 1.233 254 M CA -0.268 54.791 55.300 -0.402 0.000 1.114 254 M CB 0.736 33.082 32.600 -0.424 0.000 1.594 254 M HN 0.131 nan 8.290 nan 0.000 0.467 255 L N 6.348 127.250 121.223 -0.536 0.000 2.500 255 L HA 0.180 4.521 4.340 0.001 0.000 0.272 255 L C 0.339 177.015 176.870 -0.322 0.000 1.149 255 L CA 0.542 55.149 54.840 -0.388 0.000 0.897 255 L CB -0.463 41.344 42.059 -0.420 0.000 1.178 255 L HN 1.057 nan 8.230 nan 0.000 0.473 256 M N 1.389 120.867 119.600 -0.203 0.000 2.306 256 M HA 0.150 4.630 4.480 0.001 0.000 0.292 256 M C 2.004 178.241 176.300 -0.105 0.000 1.018 256 M CA 0.007 55.216 55.300 -0.151 0.000 1.007 256 M CB 0.443 32.979 32.600 -0.106 0.000 1.510 256 M HN 0.894 nan 8.290 nan 0.000 0.537 257 R N 0.894 121.337 120.500 -0.094 0.000 2.170 257 R HA -0.166 4.175 4.340 0.001 0.000 0.242 257 R C 1.793 178.060 176.300 -0.055 0.000 1.145 257 R CA 1.894 57.956 56.100 -0.064 0.000 0.984 257 R CB 0.001 30.268 30.300 -0.055 0.000 0.869 257 R HN 0.438 nan 8.270 nan 0.000 0.455 258 V N -2.773 117.101 119.914 -0.066 0.000 2.785 258 V HA 0.181 4.302 4.120 0.001 0.000 0.226 258 V C 0.486 176.544 176.094 -0.059 0.000 1.127 258 V CA 0.393 62.661 62.300 -0.054 0.000 1.193 258 V CB 0.133 31.929 31.823 -0.044 0.000 0.926 258 V HN 0.086 nan 8.190 nan 0.000 0.507 259 S N 3.675 119.328 115.700 -0.079 0.000 2.439 259 S HA 0.538 5.008 4.470 0.001 0.000 0.282 259 S C -0.350 174.200 174.600 -0.083 0.000 1.170 259 S CA -0.466 57.689 58.200 -0.074 0.000 1.054 259 S CB 0.226 63.378 63.200 -0.080 0.000 0.956 259 S HN 0.827 nan 8.310 nan 0.000 0.490 260 Q N 1.036 120.800 119.800 -0.061 0.000 2.330 260 Q HA 0.687 5.028 4.340 0.001 0.000 0.269 260 Q C -1.417 174.546 176.000 -0.061 0.000 1.022 260 Q CA -1.000 54.767 55.803 -0.059 0.000 0.796 260 Q CB 1.342 30.049 28.738 -0.051 0.000 1.271 260 Q HN 0.356 nan 8.270 nan 0.000 0.450 261 V N 2.802 122.674 119.914 -0.070 0.000 2.370 261 V HA 0.317 4.438 4.120 0.001 0.000 0.283 261 V C 0.163 176.143 176.094 -0.189 0.000 1.023 261 V CA -0.454 61.757 62.300 -0.149 0.000 0.857 261 V CB 1.464 33.167 31.823 -0.200 0.000 0.985 261 V HN 0.933 nan 8.190 nan 0.000 0.443 262 T N 3.301 117.750 114.554 -0.176 0.000 2.788 262 T HA 0.318 4.668 4.350 0.001 0.000 0.287 262 T C 1.712 176.300 174.700 -0.186 0.000 1.007 262 T CA 0.078 62.098 62.100 -0.133 0.000 1.005 262 T CB 0.755 69.582 68.868 -0.070 0.000 1.012 262 T HN 0.852 nan 8.240 nan 0.000 0.530 263 K N 0.896 121.260 120.400 -0.060 0.000 2.160 263 K HA -0.160 4.161 4.320 0.001 0.000 0.206 263 K C 1.815 178.505 176.600 0.150 0.000 1.047 263 K CA 2.011 58.330 56.287 0.053 0.000 0.930 263 K CB -1.049 31.488 32.500 0.061 0.000 0.720 263 K HN 0.903 nan 8.250 nan 0.000 0.450 264 E N -0.709 119.532 120.200 0.069 0.000 2.502 264 E HA 0.232 4.582 4.350 0.001 0.000 0.194 264 E C 1.188 177.866 176.600 0.130 0.000 1.062 264 E CA 0.504 56.965 56.400 0.102 0.000 0.867 264 E CB -0.351 29.376 29.700 0.045 0.000 0.888 264 E HN 0.598 nan 8.360 nan 0.000 0.510 265 G N 1.439 110.242 108.800 0.005 0.000 2.603 265 G HA2 -0.252 3.708 3.960 0.001 0.000 0.245 265 G HA3 -0.252 3.708 3.960 0.001 0.000 0.245 265 G C 0.141 174.960 174.900 -0.134 0.000 1.195 265 G CA 0.865 45.885 45.100 -0.133 0.000 0.953 265 G HN 0.998 nan 8.290 nan 0.000 0.566 266 K N -2.210 118.167 120.400 -0.039 0.000 5.510 266 K HA 0.379 4.700 4.320 0.001 0.000 0.595 266 K C 1.154 177.724 176.600 -0.049 0.000 1.631 266 K CA 2.275 58.545 56.287 -0.027 0.000 1.368 266 K CB -2.471 30.020 32.500 -0.015 0.000 1.839 266 K HN 2.464 nan 8.250 nan 0.000 0.296 267 Y N 1.318 121.601 120.300 -0.027 0.000 2.697 267 Y HA 0.460 5.011 4.550 0.001 0.000 0.349 267 Y C 1.043 176.927 175.900 -0.026 0.000 1.120 267 Y CA -0.331 57.753 58.100 -0.027 0.000 1.468 267 Y CB -0.059 38.398 38.460 -0.005 0.000 1.182 267 Y HN 1.090 nan 8.280 nan 0.000 0.525 268 V N 3.191 123.083 119.914 -0.036 0.000 2.904 268 V HA 0.406 4.526 4.120 0.001 0.000 0.305 268 V C -0.039 176.038 176.094 -0.029 0.000 1.067 268 V CA -0.906 61.376 62.300 -0.029 0.000 1.044 268 V CB 1.890 33.694 31.823 -0.032 0.000 1.050 268 V HN 0.913 nan 8.190 nan 0.000 0.475 269 Q N 1.907 121.693 119.800 -0.024 0.000 2.339 269 Q HA 0.596 4.936 4.340 0.001 0.000 0.268 269 Q C -0.005 175.982 176.000 -0.023 0.000 1.027 269 Q CA 0.129 55.918 55.803 -0.024 0.000 0.759 269 Q CB 1.043 29.770 28.738 -0.018 0.000 1.244 269 Q HN 1.095 nan 8.270 nan 0.000 0.464 270 S N 2.543 118.227 115.700 -0.027 0.000 2.599 270 S HA 0.153 4.624 4.470 0.001 0.000 0.303 270 S C 1.133 175.721 174.600 -0.020 0.000 1.267 270 S CA 0.567 58.752 58.200 -0.025 0.000 1.055 270 S CB -0.441 62.742 63.200 -0.029 0.000 0.790 270 S HN 0.844 nan 8.310 nan 0.000 0.500 271 D N 1.578 121.968 120.400 -0.017 0.000 2.205 271 D HA 0.119 4.760 4.640 0.001 0.000 0.190 271 D C 1.360 177.651 176.300 -0.015 0.000 1.002 271 D CA 2.849 56.840 54.000 -0.014 0.000 0.848 271 D CB -1.583 39.210 40.800 -0.013 0.000 0.975 271 D HN 1.726 nan 8.370 nan 0.000 0.449 272 I N 0.572 121.133 120.570 -0.016 0.000 2.648 272 I HA 0.472 4.642 4.170 0.001 0.000 0.284 272 I C -1.542 174.564 176.117 -0.017 0.000 1.153 272 I CA -1.585 59.705 61.300 -0.016 0.000 1.426 272 I CB -0.789 37.200 38.000 -0.017 0.000 1.381 272 I HN 0.308 nan 8.210 nan 0.000 0.571 273 P HA -0.048 nan 4.420 nan 0.000 0.262 273 P C 1.125 178.417 177.300 -0.014 0.000 1.118 273 P CA 1.294 64.385 63.100 -0.014 0.000 0.754 273 P CB 0.101 31.792 31.700 -0.015 0.000 0.706 274 R N 2.229 122.722 120.500 -0.011 0.000 2.090 274 R HA 0.059 4.399 4.340 0.001 0.000 0.228 274 R C 1.779 178.074 176.300 -0.007 0.000 1.110 274 R CA 2.160 58.253 56.100 -0.011 0.000 0.973 274 R CB -1.492 28.802 30.300 -0.009 0.000 0.869 274 R HN 0.710 nan 8.270 nan 0.000 0.440 275 Q N 0.371 120.168 119.800 -0.004 0.000 2.678 275 Q HA 0.714 5.054 4.340 0.001 0.000 0.222 275 Q C -0.068 175.931 176.000 -0.002 0.000 1.281 275 Q CA 0.341 56.145 55.803 0.001 0.000 0.994 275 Q CB -0.689 28.051 28.738 0.005 0.000 1.452 275 Q HN 1.542 nan 8.270 nan 0.000 0.570 276 L N -0.382 120.840 121.223 -0.002 0.000 2.490 276 L HA 0.869 5.210 4.340 0.001 0.000 0.261 276 L C -0.450 176.421 176.870 0.001 0.000 1.232 276 L CA 0.020 54.856 54.840 -0.007 0.000 0.892 276 L CB 0.033 42.084 42.059 -0.014 0.000 1.085 276 L HN 1.813 nan 8.230 nan 0.000 0.491 277 L N -0.018 121.212 121.223 0.012 0.000 2.847 277 L HA 0.628 4.968 4.340 0.001 0.000 0.243 277 L C 0.112 177.008 176.870 0.043 0.000 0.978 277 L CA 0.379 55.236 54.840 0.028 0.000 1.030 277 L CB -0.585 41.490 42.059 0.027 0.000 1.351 277 L HN 1.898 nan 8.230 nan 0.000 0.512 278 Y N 0.027 120.367 120.300 0.066 0.000 2.449 278 Y HA 0.514 5.064 4.550 0.001 0.000 0.254 278 Y C 1.728 177.737 175.900 0.181 0.000 1.140 278 Y CA 1.206 59.374 58.100 0.114 0.000 1.272 278 Y CB 0.358 38.898 38.460 0.133 0.000 1.114 278 Y HN 1.212 nan 8.280 nan 0.000 0.525 279 G N 0.131 109.027 108.800 0.159 0.000 2.404 279 G HA2 -0.098 3.862 3.960 0.001 0.000 0.215 279 G HA3 -0.098 3.862 3.960 0.001 0.000 0.215 279 G C 1.830 176.793 174.900 0.106 0.000 1.174 279 G CA 2.053 47.254 45.100 0.168 0.000 0.780 279 G HN 0.681 nan 8.290 nan 0.000 0.537 280 T N -0.443 114.153 114.554 0.071 0.000 2.746 280 T HA 0.280 4.631 4.350 0.001 0.000 0.267 280 T C 2.004 176.694 174.700 -0.016 0.000 1.039 280 T CA 3.614 65.738 62.100 0.041 0.000 1.142 280 T CB -0.296 68.603 68.868 0.050 0.000 0.866 280 T HN 0.515 nan 8.240 nan 0.000 0.444 281 M N 0.115 119.710 119.600 -0.009 0.000 2.314 281 M HA 0.624 5.105 4.480 0.001 0.000 0.206 281 M C 2.402 178.681 176.300 -0.035 0.000 1.539 281 M CA 0.644 55.907 55.300 -0.061 0.000 1.845 281 M CB -0.743 31.805 32.600 -0.088 0.000 1.080 281 M HN 0.230 nan 8.290 nan 0.000 0.885 282 V N 0.534 120.443 119.914 -0.009 0.000 2.332 282 V HA -0.379 3.742 4.120 0.001 0.000 0.261 282 V C 2.331 178.445 176.094 0.033 0.000 1.116 282 V CA 3.239 65.560 62.300 0.036 0.000 1.110 282 V CB -1.656 30.242 31.823 0.126 0.000 0.782 282 V HN 0.932 nan 8.190 nan 0.000 0.458 283 Y N 0.450 120.657 120.300 -0.156 0.000 2.220 283 Y HA -0.112 4.439 4.550 0.001 0.000 0.291 283 Y C 2.267 178.016 175.900 -0.252 0.000 1.129 283 Y CA 1.413 59.267 58.100 -0.410 0.000 1.161 283 Y CB -0.511 37.623 38.460 -0.543 0.000 0.997 283 Y HN 0.090 nan 8.280 nan 0.000 0.522 284 V N 1.539 121.247 119.914 -0.343 0.000 2.216 284 V HA -0.335 3.786 4.120 0.001 0.000 0.243 284 V C 2.562 178.489 176.094 -0.280 0.000 1.044 284 V CA 2.380 64.452 62.300 -0.379 0.000 0.995 284 V CB -0.770 30.899 31.823 -0.256 0.000 0.633 284 V HN 0.278 nan 8.190 nan 0.000 0.446 285 R N -0.114 120.270 120.500 -0.193 0.000 2.133 285 R HA -0.255 4.086 4.340 0.001 0.000 0.247 285 R C 2.305 178.530 176.300 -0.126 0.000 1.151 285 R CA 1.819 57.829 56.100 -0.150 0.000 0.971 285 R CB -0.788 29.433 30.300 -0.132 0.000 0.866 285 R HN 0.567 nan 8.270 nan 0.000 0.447 286 Q N 0.736 120.464 119.800 -0.120 0.000 1.975 286 Q HA -0.152 4.189 4.340 0.001 0.000 0.205 286 Q C 2.091 178.024 176.000 -0.111 0.000 0.990 286 Q CA 2.067 57.820 55.803 -0.083 0.000 0.845 286 Q CB -0.382 28.323 28.738 -0.055 0.000 0.913 286 Q HN 0.226 nan 8.270 nan 0.000 0.420 287 S N -0.153 115.426 115.700 -0.202 0.000 2.419 287 S HA -0.093 4.378 4.470 0.001 0.000 0.235 287 S C 1.943 176.461 174.600 -0.136 0.000 1.019 287 S CA 1.020 59.102 58.200 -0.196 0.000 0.982 287 S CB -0.254 62.735 63.200 -0.353 0.000 0.789 287 S HN 0.423 nan 8.310 nan 0.000 0.490 288 I N 0.364 120.852 120.570 -0.137 0.000 2.761 288 I HA -0.009 4.162 4.170 0.001 0.000 0.261 288 I C 1.923 178.007 176.117 -0.055 0.000 1.198 288 I CA 0.364 61.609 61.300 -0.092 0.000 1.482 288 I CB -0.188 37.741 38.000 -0.119 0.000 1.100 288 I HN 0.150 nan 8.210 nan 0.000 0.445 289 V N 1.161 121.033 119.914 -0.069 0.000 2.488 289 V HA -0.101 4.019 4.120 0.001 0.000 0.246 289 V C 2.755 178.821 176.094 -0.047 0.000 1.046 289 V CA 1.682 63.942 62.300 -0.068 0.000 1.053 289 V CB -0.575 31.212 31.823 -0.061 0.000 0.679 289 V HN 0.460 nan 8.190 nan 0.000 0.458 290 A N -0.191 122.599 122.820 -0.049 0.000 1.930 290 A HA -0.215 4.106 4.320 0.001 0.000 0.217 290 A C 1.926 179.486 177.584 -0.041 0.000 1.175 290 A CA 1.802 53.802 52.037 -0.062 0.000 0.627 290 A CB -0.465 18.495 19.000 -0.068 0.000 0.815 290 A HN 0.518 nan 8.150 nan 0.000 0.443 291 D N -0.047 120.349 120.400 -0.007 0.000 2.312 291 D HA 0.063 4.704 4.640 0.001 0.000 0.211 291 D C 2.059 178.405 176.300 0.078 0.000 0.964 291 D CA 1.076 55.101 54.000 0.042 0.000 0.877 291 D CB -0.117 40.725 40.800 0.070 0.000 0.924 291 D HN 0.455 nan 8.370 nan 0.000 0.515 292 A N 1.036 123.906 122.820 0.084 0.000 1.897 292 A HA -0.137 4.184 4.320 0.001 0.000 0.215 292 A C 2.381 180.008 177.584 0.072 0.000 1.181 292 A CA 1.864 53.947 52.037 0.077 0.000 0.620 292 A CB -0.514 18.527 19.000 0.068 0.000 0.821 292 A HN 0.296 nan 8.150 nan 0.000 0.443 293 S N -0.070 115.695 115.700 0.108 0.000 2.383 293 S HA -0.157 4.313 4.470 0.001 0.000 0.227 293 S C 1.898 176.544 174.600 0.076 0.000 1.026 293 S CA 1.395 59.659 58.200 0.107 0.000 0.981 293 S CB -0.737 62.445 63.200 -0.030 0.000 0.818 293 S HN 0.473 nan 8.310 nan 0.000 0.472 294 L N 2.482 123.729 121.223 0.041 0.000 1.971 294 L HA 0.018 4.359 4.340 0.001 0.000 0.215 294 L C 2.750 179.615 176.870 -0.008 0.000 1.072 294 L CA 2.200 57.099 54.840 0.098 0.000 0.758 294 L CB -1.433 40.667 42.059 0.068 0.000 0.889 294 L HN 0.359 nan 8.230 nan 0.000 0.433 295 A N -1.016 121.727 122.820 -0.127 0.000 1.877 295 A HA -0.253 4.068 4.320 0.001 0.000 0.216 295 A C 2.334 179.777 177.584 -0.234 0.000 1.186 295 A CA 2.221 54.102 52.037 -0.261 0.000 0.620 295 A CB -0.788 17.890 19.000 -0.537 0.000 0.822 295 A HN 0.590 nan 8.150 nan 0.000 0.443 296 M N 1.268 120.749 119.600 -0.197 0.000 2.088 296 M HA -0.191 4.289 4.480 0.001 0.000 0.256 296 M C 2.335 178.590 176.300 -0.074 0.000 1.071 296 M CA 2.744 57.983 55.300 -0.101 0.000 1.097 296 M CB -0.712 31.880 32.600 -0.014 0.000 1.315 296 M HN 0.561 nan 8.290 nan 0.000 0.406 297 S N -0.710 114.922 115.700 -0.113 0.000 2.428 297 S HA -0.099 4.372 4.470 0.001 0.000 0.230 297 S C 2.035 176.601 174.600 -0.057 0.000 1.014 297 S CA 0.931 58.969 58.200 -0.271 0.000 0.957 297 S CB -0.584 61.956 63.200 -1.099 0.000 0.784 297 S HN 0.613 nan 8.310 nan 0.000 0.499 298 R N 1.291 121.716 120.500 -0.126 0.000 2.083 298 R HA 0.032 4.372 4.340 0.001 0.000 0.237 298 R C 2.764 179.017 176.300 -0.078 0.000 1.137 298 R CA 1.503 57.478 56.100 -0.207 0.000 0.951 298 R CB -0.772 29.299 30.300 -0.382 0.000 0.851 298 R HN 0.586 nan 8.270 nan 0.000 0.434 299 A N 0.488 123.270 122.820 -0.063 0.000 1.873 299 A HA -0.093 4.228 4.320 0.001 0.000 0.215 299 A C 2.350 179.966 177.584 0.052 0.000 1.186 299 A CA 1.334 53.361 52.037 -0.016 0.000 0.616 299 A CB -0.545 18.439 19.000 -0.027 0.000 0.823 299 A HN 0.116 nan 8.150 nan 0.000 0.442 300 V N -0.847 119.117 119.914 0.082 0.000 2.332 300 V HA -0.328 3.792 4.120 0.001 0.000 0.248 300 V C 2.667 178.880 176.094 0.198 0.000 1.055 300 V CA 1.932 64.319 62.300 0.144 0.000 1.038 300 V CB -1.409 30.519 31.823 0.174 0.000 0.651 300 V HN 0.772 nan 8.190 nan 0.000 0.450 301 C N -0.145 119.319 119.300 0.274 0.000 2.413 301 C HA -0.145 4.315 4.460 0.001 0.000 0.277 301 C C 2.589 177.691 174.990 0.187 0.000 1.265 301 C CA 1.139 60.331 59.018 0.291 0.000 1.752 301 C CB -1.029 26.986 27.740 0.459 0.000 1.998 301 C HN 0.561 nan 8.230 nan 0.000 0.489 302 I N 1.181 121.832 120.570 0.134 0.000 2.202 302 I HA -0.139 4.031 4.170 0.001 0.000 0.242 302 I C 2.813 179.012 176.117 0.138 0.000 1.091 302 I CA 1.715 63.076 61.300 0.102 0.000 1.368 302 I CB -0.528 37.495 38.000 0.039 0.000 1.058 302 I HN 0.368 nan 8.210 nan 0.000 0.410 303 A N 0.203 123.102 122.820 0.133 0.000 1.929 303 A HA -0.146 4.175 4.320 0.001 0.000 0.216 303 A C 2.370 180.055 177.584 0.169 0.000 1.176 303 A CA 2.139 54.272 52.037 0.160 0.000 0.628 303 A CB -0.987 18.083 19.000 0.117 0.000 0.816 303 A HN 0.381 nan 8.150 nan 0.000 0.444 304 T N 0.043 114.688 114.554 0.152 0.000 2.643 304 T HA -0.140 4.210 4.350 0.001 0.000 0.264 304 T C 2.080 176.848 174.700 0.114 0.000 1.045 304 T CA 1.294 63.479 62.100 0.142 0.000 1.155 304 T CB -0.291 68.665 68.868 0.145 0.000 0.863 304 T HN 0.415 nan 8.240 nan 0.000 0.420 305 R N 0.181 120.752 120.500 0.117 0.000 2.113 305 R HA -0.158 4.183 4.340 0.001 0.000 0.244 305 R C 2.289 178.659 176.300 0.117 0.000 1.142 305 R CA 1.725 57.885 56.100 0.099 0.000 0.953 305 R CB -0.983 29.386 30.300 0.114 0.000 0.860 305 R HN 0.471 nan 8.270 nan 0.000 0.438 306 Y N 1.541 121.862 120.300 0.036 0.000 2.242 306 Y HA -0.108 4.442 4.550 0.001 0.000 0.291 306 Y C 2.434 178.352 175.900 0.029 0.000 1.137 306 Y CA 1.257 59.377 58.100 0.032 0.000 1.181 306 Y CB -0.190 38.303 38.460 0.055 0.000 0.989 306 Y HN -0.059 nan 8.280 nan 0.000 0.527 307 S N -0.270 115.437 115.700 0.011 0.000 2.469 307 S HA -0.128 4.343 4.470 0.001 0.000 0.238 307 S C 2.033 176.562 174.600 -0.119 0.000 0.998 307 S CA 0.795 58.949 58.200 -0.076 0.000 0.957 307 S CB -0.472 62.722 63.200 -0.009 0.000 0.764 307 S HN 0.602 nan 8.310 nan 0.000 0.514 308 A N 0.295 123.063 122.820 -0.087 0.000 1.984 308 A HA 0.159 4.480 4.320 0.001 0.000 0.214 308 A C 2.071 179.583 177.584 -0.122 0.000 1.173 308 A CA 0.588 52.576 52.037 -0.082 0.000 0.673 308 A CB -0.168 18.812 19.000 -0.033 0.000 0.830 308 A HN 0.367 nan 8.150 nan 0.000 0.453 309 V N -0.165 119.644 119.914 -0.176 0.000 2.725 309 V HA 0.055 4.176 4.120 0.001 0.000 0.247 309 V C 1.318 177.254 176.094 -0.262 0.000 1.058 309 V CA 0.795 62.972 62.300 -0.205 0.000 1.080 309 V CB -0.735 30.964 31.823 -0.207 0.000 0.713 309 V HN 0.449 nan 8.190 nan 0.000 0.465 310 R N 2.028 122.246 120.500 -0.470 0.000 2.370 310 R HA 0.281 4.622 4.340 0.001 0.000 0.309 310 R C -0.142 176.061 176.300 -0.162 0.000 1.059 310 R CA 0.423 56.298 56.100 -0.376 0.000 0.981 310 R CB 0.005 29.893 30.300 -0.687 0.000 0.972 310 R HN 0.404 nan 8.270 nan 0.000 0.437 311 R N 2.974 123.439 120.500 -0.059 0.000 2.740 311 R HA 0.468 4.808 4.340 0.001 0.000 0.282 311 R C -1.179 175.131 176.300 0.016 0.000 0.969 311 R CA -1.067 55.018 56.100 -0.026 0.000 0.918 311 R CB 2.073 32.357 30.300 -0.027 0.000 1.175 311 R HN 0.431 nan 8.270 nan 0.000 0.464 312 Q N 2.217 122.073 119.800 0.094 0.000 2.520 312 Q HA 0.292 4.632 4.340 0.001 0.000 0.237 312 Q C -1.678 174.514 176.000 0.319 0.000 0.875 312 Q CA -0.249 55.606 55.803 0.087 0.000 1.028 312 Q CB 0.460 29.297 28.738 0.165 0.000 1.534 312 Q HN 0.552 nan 8.270 nan 0.000 0.471 313 F N 1.057 121.057 119.950 0.084 0.000 2.183 313 F HA -0.008 4.520 4.527 0.001 0.000 0.318 313 F C 1.508 177.383 175.800 0.125 0.000 0.454 313 F CA 1.628 59.677 58.000 0.081 0.000 0.912 313 F CB -1.153 37.873 39.000 0.043 0.000 4.135 313 F HN 0.935 nan 8.300 nan 0.000 0.137 314 G N -0.447 108.550 108.800 0.328 0.000 2.241 314 G HA2 -0.234 3.727 3.960 0.001 0.000 0.244 314 G HA3 -0.234 3.727 3.960 0.001 0.000 0.244 314 G C 0.320 175.294 174.900 0.124 0.000 0.998 314 G CA 0.721 45.955 45.100 0.224 0.000 0.621 314 G HN 1.798 nan 8.290 nan 0.000 0.519 315 S N 0.280 116.037 115.700 0.095 0.000 2.561 315 S HA 0.426 4.897 4.470 0.001 0.000 0.294 315 S C 0.191 174.818 174.600 0.045 0.000 1.294 315 S CA 1.396 59.625 58.200 0.047 0.000 1.055 315 S CB 0.634 63.847 63.200 0.021 0.000 0.819 315 S HN 0.660 nan 8.310 nan 0.000 0.503 316 Q N 2.578 122.396 119.800 0.029 0.000 2.377 316 Q HA 0.441 4.782 4.340 0.001 0.000 0.279 316 Q C 0.304 176.312 176.000 0.013 0.000 1.049 316 Q CA -0.798 55.020 55.803 0.024 0.000 0.825 316 Q CB 1.596 30.350 28.738 0.026 0.000 1.401 316 Q HN 0.983 nan 8.270 nan 0.000 0.404 317 N N 0.051 118.757 118.700 0.010 0.000 1.210 317 N HA -0.331 4.410 4.740 0.001 0.000 0.097 317 N C 1.001 176.511 175.510 0.001 0.000 0.753 317 N CA 1.292 54.345 53.050 0.005 0.000 0.824 317 N CB -0.475 38.014 38.487 0.004 0.000 0.952 317 N HN 0.903 nan 8.380 nan 0.000 0.704 318 G N -0.025 108.773 108.800 -0.002 0.000 2.605 318 G HA2 -0.087 3.874 3.960 0.001 0.000 0.222 318 G HA3 -0.087 3.874 3.960 0.001 0.000 0.222 318 G C 0.700 175.596 174.900 -0.008 0.000 1.092 318 G CA 1.348 46.444 45.100 -0.006 0.000 0.730 318 G HN 0.751 nan 8.290 nan 0.000 0.588 319 G N -0.922 107.875 108.800 -0.004 0.000 2.442 319 G HA2 0.543 4.504 3.960 0.001 0.000 0.249 319 G HA3 0.543 4.504 3.960 0.001 0.000 0.249 319 G C 0.246 175.142 174.900 -0.007 0.000 1.263 319 G CA 0.452 45.549 45.100 -0.005 0.000 0.846 319 G HN 0.781 nan 8.290 nan 0.000 0.555 320 Q N 1.179 120.971 119.800 -0.013 0.000 2.524 320 Q HA 0.266 4.607 4.340 0.001 0.000 0.246 320 Q C 0.606 176.602 176.000 -0.006 0.000 1.063 320 Q CA 0.453 56.245 55.803 -0.017 0.000 0.945 320 Q CB 0.075 28.796 28.738 -0.027 0.000 1.292 320 Q HN 0.805 nan 8.270 nan 0.000 0.518 321 E N 0.206 120.402 120.200 -0.006 0.000 2.392 321 E HA 0.278 4.629 4.350 0.001 0.000 0.256 321 E C -0.382 176.223 176.600 0.007 0.000 1.145 321 E CA -0.050 56.361 56.400 0.019 0.000 0.929 321 E CB 0.660 30.365 29.700 0.008 0.000 0.998 321 E HN 0.685 nan 8.360 nan 0.000 0.442 322 T N 2.431 117.006 114.554 0.034 0.000 2.856 322 T HA 0.077 4.427 4.350 0.001 0.000 0.292 322 T C -0.135 174.449 174.700 -0.194 0.000 0.980 322 T CA -0.540 61.511 62.100 -0.083 0.000 1.091 322 T CB 0.691 69.493 68.868 -0.110 0.000 0.936 322 T HN 0.307 nan 8.240 nan 0.000 0.503 323 Q N 1.368 121.039 119.800 -0.216 0.000 2.333 323 Q HA 0.039 4.379 4.340 0.001 0.000 0.299 323 Q C 1.699 177.446 176.000 -0.421 0.000 1.067 323 Q CA -0.260 55.402 55.803 -0.235 0.000 0.943 323 Q CB 0.455 29.087 28.738 -0.177 0.000 1.233 323 Q HN 0.670 nan 8.270 nan 0.000 0.401 324 V N 0.596 120.343 119.914 -0.279 0.000 2.720 324 V HA -0.213 3.907 4.120 0.001 0.000 0.256 324 V C 1.557 177.494 176.094 -0.262 0.000 1.082 324 V CA 1.656 63.825 62.300 -0.218 0.000 1.101 324 V CB -0.681 31.172 31.823 0.051 0.000 0.693 324 V HN 0.867 nan 8.190 nan 0.000 0.479 325 I N 0.985 121.414 120.570 -0.234 0.000 2.756 325 I HA -0.137 4.033 4.170 0.001 0.000 0.262 325 I C 1.576 177.576 176.117 -0.195 0.000 1.225 325 I CA 1.260 62.453 61.300 -0.179 0.000 1.472 325 I CB -0.141 37.815 38.000 -0.073 0.000 1.094 325 I HN 0.282 nan 8.210 nan 0.000 0.454 326 D N -0.087 120.120 120.400 -0.321 0.000 2.363 326 D HA -0.043 4.597 4.640 0.001 0.000 0.226 326 D C -0.250 175.969 176.300 -0.134 0.000 1.020 326 D CA 0.631 54.492 54.000 -0.232 0.000 0.892 326 D CB -0.185 40.461 40.800 -0.256 0.000 0.900 326 D HN 0.355 nan 8.370 nan 0.000 0.531 327 Y N 0.823 121.078 120.300 -0.075 0.000 2.425 327 Y HA 0.099 4.650 4.550 0.001 0.000 0.347 327 Y C 1.505 177.323 175.900 -0.136 0.000 0.976 327 Y CA -1.266 56.781 58.100 -0.088 0.000 1.190 327 Y CB 1.197 39.607 38.460 -0.083 0.000 1.136 327 Y HN -0.384 nan 8.280 nan 0.000 0.517 328 K N 1.002 121.447 120.400 0.074 0.000 2.127 328 K HA -0.220 4.101 4.320 0.001 0.000 0.212 328 K C 2.005 178.540 176.600 -0.108 0.000 1.050 328 K CA 2.330 58.610 56.287 -0.012 0.000 0.929 328 K CB -0.787 31.738 32.500 0.042 0.000 0.715 328 K HN 0.831 nan 8.250 nan 0.000 0.457 329 T N -2.045 112.466 114.554 -0.072 0.000 2.857 329 T HA -0.136 4.215 4.350 0.001 0.000 0.266 329 T C 1.956 176.567 174.700 -0.149 0.000 1.048 329 T CA 1.151 63.193 62.100 -0.096 0.000 1.139 329 T CB -0.230 68.597 68.868 -0.069 0.000 0.874 329 T HN 0.081 nan 8.240 nan 0.000 0.455 330 Q N 1.384 121.115 119.800 -0.115 0.000 2.170 330 Q HA -0.084 4.257 4.340 0.001 0.000 0.203 330 Q C 2.373 178.130 176.000 -0.405 0.000 0.976 330 Q CA 1.660 57.367 55.803 -0.159 0.000 0.858 330 Q CB -0.415 28.287 28.738 -0.059 0.000 0.907 330 Q HN 0.736 nan 8.270 nan 0.000 0.433 331 Q N -0.873 118.564 119.800 -0.606 0.000 2.137 331 Q HA -0.071 4.270 4.340 0.001 0.000 0.198 331 Q C 1.612 176.934 176.000 -1.130 0.000 0.960 331 Q CA 1.134 56.204 55.803 -1.222 0.000 0.847 331 Q CB -0.093 27.937 28.738 -1.179 0.000 0.915 331 Q HN 0.383 nan 8.270 nan 0.000 0.448 332 N N 0.685 118.915 118.700 -0.784 0.000 2.520 332 N HA -0.106 4.635 4.740 0.001 0.000 0.185 332 N C 1.123 176.506 175.510 -0.210 0.000 1.068 332 N CA 0.806 53.568 53.050 -0.479 0.000 0.911 332 N CB 0.256 38.666 38.487 -0.127 0.000 0.961 332 N HN 0.093 nan 8.380 nan 0.000 0.446 333 R N -1.299 119.053 120.500 -0.245 0.000 2.373 333 R HA 0.178 4.519 4.340 0.001 0.000 0.221 333 R C 0.935 177.138 176.300 -0.160 0.000 0.893 333 R CA -0.026 55.992 56.100 -0.137 0.000 1.049 333 R CB 0.233 30.495 30.300 -0.065 0.000 1.119 333 R HN 0.155 nan 8.270 nan 0.000 0.535 334 L N -0.447 120.628 121.223 -0.245 0.000 2.269 334 L HA 0.253 4.594 4.340 0.001 0.000 0.200 334 L C 1.547 178.441 176.870 0.041 0.000 1.069 334 L CA 1.374 56.136 54.840 -0.130 0.000 0.804 334 L CB -0.181 41.761 42.059 -0.196 0.000 0.987 334 L HN 0.007 nan 8.230 nan 0.000 0.468 335 F N 0.259 120.115 119.950 -0.157 0.000 2.293 335 F HA -0.071 4.457 4.527 0.001 0.000 0.300 335 F C -0.298 175.483 175.800 -0.032 0.000 1.086 335 F CA 0.258 58.223 58.000 -0.058 0.000 1.375 335 F CB -1.348 37.661 39.000 0.016 0.000 1.045 335 F HN 0.225 nan 8.300 nan 0.000 0.516 336 P HA -0.184 nan 4.420 nan 0.000 0.215 336 P C 1.724 178.969 177.300 -0.092 0.000 1.157 336 P CA 1.434 64.407 63.100 -0.212 0.000 0.868 336 P CB -0.097 30.967 31.700 -1.060 0.000 0.788 337 L N -1.585 119.583 121.223 -0.092 0.000 2.042 337 L HA -0.187 4.153 4.340 0.001 0.000 0.210 337 L C 2.428 179.310 176.870 0.020 0.000 1.076 337 L CA 1.101 55.918 54.840 -0.039 0.000 0.749 337 L CB -1.164 40.887 42.059 -0.014 0.000 0.893 337 L HN 0.007 nan 8.230 nan 0.000 0.432 338 L N 0.421 121.708 121.223 0.107 0.000 2.046 338 L HA -0.128 4.213 4.340 0.001 0.000 0.208 338 L C 2.654 179.624 176.870 0.168 0.000 1.077 338 L CA 1.996 56.937 54.840 0.169 0.000 0.747 338 L CB -0.823 41.333 42.059 0.160 0.000 0.896 338 L HN 0.148 nan 8.230 nan 0.000 0.432 339 A N -1.706 121.180 122.820 0.111 0.000 1.978 339 A HA -0.184 4.137 4.320 0.001 0.000 0.220 339 A C 2.402 180.032 177.584 0.076 0.000 1.170 339 A CA 1.992 54.102 52.037 0.122 0.000 0.636 339 A CB -0.788 18.305 19.000 0.154 0.000 0.810 339 A HN 0.534 nan 8.150 nan 0.000 0.448 340 S N -0.507 115.145 115.700 -0.079 0.000 2.395 340 S HA 0.106 4.577 4.470 0.001 0.000 0.225 340 S C 2.335 176.570 174.600 -0.608 0.000 1.027 340 S CA 0.848 58.711 58.200 -0.562 0.000 0.965 340 S CB -0.399 62.401 63.200 -0.665 0.000 0.812 340 S HN 0.793 nan 8.310 nan 0.000 0.482 341 A N 0.903 123.614 122.820 -0.181 0.000 1.873 341 A HA -0.179 4.142 4.320 0.001 0.000 0.218 341 A C 1.870 179.528 177.584 0.124 0.000 1.193 341 A CA 1.831 53.874 52.037 0.010 0.000 0.629 341 A CB -1.095 17.955 19.000 0.083 0.000 0.826 341 A HN 0.568 nan 8.150 nan 0.000 0.447 342 Y N -0.330 120.029 120.300 0.098 0.000 2.373 342 Y HA 0.083 4.634 4.550 0.001 0.000 0.293 342 Y C 2.803 178.508 175.900 -0.324 0.000 1.129 342 Y CA 0.463 58.521 58.100 -0.070 0.000 1.226 342 Y CB -0.498 37.982 38.460 0.033 0.000 1.000 342 Y HN 0.350 nan 8.280 nan 0.000 0.549 343 A N 0.089 122.912 122.820 0.005 0.000 1.855 343 A HA -0.156 4.165 4.320 0.001 0.000 0.215 343 A C 2.109 179.693 177.584 0.000 0.000 1.191 343 A CA 1.412 53.434 52.037 -0.025 0.000 0.613 343 A CB -1.307 17.408 19.000 -0.475 0.000 0.829 343 A HN 0.496 nan 8.150 nan 0.000 0.442 344 F N -0.128 119.719 119.950 -0.172 0.000 2.216 344 F HA -0.216 4.312 4.527 0.001 0.000 0.300 344 F C 3.213 178.894 175.800 -0.199 0.000 1.085 344 F CA 0.714 58.628 58.000 -0.144 0.000 1.326 344 F CB -0.196 38.749 39.000 -0.091 0.000 1.027 344 F HN 0.394 nan 8.300 nan 0.000 0.497 345 R N 0.796 121.189 120.500 -0.180 0.000 2.066 345 R HA -0.132 4.209 4.340 0.001 0.000 0.232 345 R C 1.825 177.977 176.300 -0.245 0.000 1.131 345 R CA 1.708 57.553 56.100 -0.427 0.000 0.955 345 R CB -2.115 27.599 30.300 -0.976 0.000 0.851 345 R HN 0.348 nan 8.270 nan 0.000 0.432 346 F N 0.227 120.080 119.950 -0.162 0.000 2.186 346 F HA -0.128 4.400 4.527 0.001 0.000 0.299 346 F C 2.538 178.304 175.800 -0.057 0.000 1.090 346 F CA 0.699 58.593 58.000 -0.177 0.000 1.307 346 F CB -0.253 38.509 39.000 -0.397 0.000 1.019 346 F HN -0.012 nan 8.300 nan 0.000 0.489 347 V N 0.504 120.500 119.914 0.136 0.000 2.324 347 V HA -0.317 3.804 4.120 0.001 0.000 0.250 347 V C 2.664 178.898 176.094 0.233 0.000 1.060 347 V CA 2.146 64.550 62.300 0.173 0.000 1.042 347 V CB -1.388 30.500 31.823 0.109 0.000 0.650 347 V HN 0.513 nan 8.190 nan 0.000 0.450 348 G N -0.523 108.345 108.800 0.113 0.000 2.514 348 G HA2 -0.373 3.587 3.960 0.001 0.000 0.217 348 G HA3 -0.373 3.587 3.960 0.001 0.000 0.217 348 G C 1.647 176.618 174.900 0.119 0.000 1.198 348 G CA 1.660 46.802 45.100 0.071 0.000 0.780 348 G HN 0.611 nan 8.290 nan 0.000 0.565 349 E N -0.323 119.955 120.200 0.130 0.000 2.160 349 E HA -0.183 4.167 4.350 0.001 0.000 0.195 349 E C 2.033 178.774 176.600 0.236 0.000 0.991 349 E CA 1.509 58.000 56.400 0.152 0.000 0.810 349 E CB -0.877 28.910 29.700 0.145 0.000 0.742 349 E HN 0.760 nan 8.360 nan 0.000 0.466 350 W N 0.323 121.686 121.300 0.105 0.000 2.443 350 W HA 0.079 4.740 4.660 0.001 0.000 0.296 350 W C 1.979 178.653 176.519 0.257 0.000 1.202 350 W CA 1.187 58.629 57.345 0.162 0.000 1.312 350 W CB -0.111 29.400 29.460 0.085 0.000 1.120 350 W HN 0.206 nan 8.180 nan 0.000 0.536 351 L N 1.500 122.831 121.223 0.181 0.000 2.013 351 L HA -0.329 4.012 4.340 0.001 0.000 0.212 351 L C 2.851 179.694 176.870 -0.045 0.000 1.073 351 L CA 2.570 57.377 54.840 -0.055 0.000 0.753 351 L CB -1.697 40.413 42.059 0.086 0.000 0.890 351 L HN 0.159 nan 8.230 nan 0.000 0.432 352 K N -0.516 119.919 120.400 0.059 0.000 2.113 352 K HA -0.301 4.020 4.320 0.001 0.000 0.208 352 K C 1.626 178.275 176.600 0.082 0.000 1.047 352 K CA 2.063 58.402 56.287 0.086 0.000 0.928 352 K CB -1.730 30.826 32.500 0.093 0.000 0.716 352 K HN 0.655 nan 8.250 nan 0.000 0.446 353 W N -0.014 121.206 121.300 -0.133 0.000 2.453 353 W HA 0.048 4.708 4.660 0.001 0.000 0.289 353 W C 1.704 178.052 176.519 -0.285 0.000 1.215 353 W CA 0.895 58.136 57.345 -0.174 0.000 1.297 353 W CB -0.060 29.313 29.460 -0.146 0.000 1.113 353 W HN 0.234 nan 8.180 nan 0.000 0.551 354 L N 0.383 121.340 121.223 -0.443 0.000 2.093 354 L HA -0.162 4.179 4.340 0.001 0.000 0.208 354 L C 2.425 178.999 176.870 -0.494 0.000 1.085 354 L CA 2.143 56.573 54.840 -0.683 0.000 0.755 354 L CB -1.455 40.102 42.059 -0.837 0.000 0.904 354 L HN 0.262 nan 8.230 nan 0.000 0.435 355 Y N 0.379 120.442 120.300 -0.394 0.000 2.145 355 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 355 Y C 2.637 178.346 175.900 -0.318 0.000 1.145 355 Y CA 2.503 60.437 58.100 -0.276 0.000 1.148 355 Y CB -0.879 37.482 38.460 -0.165 0.000 0.981 355 Y HN 0.426 nan 8.280 nan 0.000 0.507 356 T N -2.565 111.667 114.554 -0.537 0.000 2.857 356 T HA -0.146 4.205 4.350 0.001 0.000 0.266 356 T C 1.625 175.950 174.700 -0.625 0.000 1.048 356 T CA 1.312 63.057 62.100 -0.590 0.000 1.139 356 T CB -0.715 67.933 68.868 -0.367 0.000 0.874 356 T HN 0.469 nan 8.240 nan 0.000 0.455 357 D N 1.199 121.102 120.400 -0.828 0.000 2.103 357 D HA -0.123 4.518 4.640 0.001 0.000 0.190 357 D C 2.106 178.115 176.300 -0.485 0.000 0.997 357 D CA 1.398 54.930 54.000 -0.781 0.000 0.833 357 D CB -0.472 39.622 40.800 -1.177 0.000 0.961 357 D HN 0.249 nan 8.370 nan 0.000 0.447 358 V N 0.271 119.912 119.914 -0.455 0.000 2.261 358 V HA -0.251 3.870 4.120 0.001 0.000 0.246 358 V C 2.631 178.537 176.094 -0.314 0.000 1.047 358 V CA 2.355 64.466 62.300 -0.314 0.000 1.015 358 V CB -1.081 30.592 31.823 -0.249 0.000 0.642 358 V HN 0.515 nan 8.190 nan 0.000 0.446 359 T N -1.677 112.610 114.554 -0.445 0.000 2.946 359 T HA -0.240 4.111 4.350 0.001 0.000 0.271 359 T C 1.337 175.863 174.700 -0.289 0.000 1.104 359 T CA 1.081 62.943 62.100 -0.396 0.000 1.114 359 T CB -0.345 68.176 68.868 -0.579 0.000 0.867 359 T HN 0.548 nan 8.240 nan 0.000 0.513 360 Q N 0.956 120.579 119.800 -0.294 0.000 2.244 360 Q HA 0.272 4.613 4.340 0.001 0.000 0.239 360 Q C 1.683 177.584 176.000 -0.165 0.000 0.890 360 Q CA -0.273 55.402 55.803 -0.213 0.000 0.964 360 Q CB 0.120 28.726 28.738 -0.221 0.000 1.076 360 Q HN 0.761 nan 8.270 nan 0.000 0.447 361 R N -3.908 116.500 120.500 -0.154 0.000 2.624 361 R HA 0.089 4.429 4.340 0.001 0.000 0.176 361 R C 1.628 177.872 176.300 -0.093 0.000 0.956 361 R CA 0.455 56.491 56.100 -0.107 0.000 1.723 361 R CB -0.825 29.417 30.300 -0.097 0.000 1.693 361 R HN 0.105 nan 8.270 nan 0.000 0.520 362 L N 1.095 122.249 121.223 -0.114 0.000 2.465 362 L HA 0.467 4.808 4.340 0.001 0.000 0.224 362 L C 2.317 179.135 176.870 -0.086 0.000 1.145 362 L CA 2.032 56.816 54.840 -0.092 0.000 0.834 362 L CB -1.039 40.958 42.059 -0.103 0.000 0.944 362 L HN 0.515 nan 8.230 nan 0.000 0.451 363 A N -1.390 121.370 122.820 -0.100 0.000 2.063 363 A HA 0.605 4.926 4.320 0.001 0.000 0.211 363 A C 2.234 179.780 177.584 -0.065 0.000 1.177 363 A CA 1.171 53.160 52.037 -0.081 0.000 0.759 363 A CB -0.325 18.618 19.000 -0.095 0.000 0.857 363 A HN 0.989 nan 8.150 nan 0.000 0.468 364 A N 0.043 122.822 122.820 -0.068 0.000 3.789 364 A HA 0.356 4.676 4.320 0.001 0.000 0.163 364 A C 0.700 178.260 177.584 -0.041 0.000 1.580 364 A CA 0.659 52.665 52.037 -0.052 0.000 0.919 364 A CB -0.069 18.898 19.000 -0.053 0.000 1.117 364 A HN 0.313 nan 8.150 nan 0.000 0.453 365 N N 0.372 119.050 118.700 -0.036 0.000 2.700 365 N HA 0.245 4.986 4.740 0.001 0.000 0.242 365 N C -2.327 173.169 175.510 -0.023 0.000 1.541 365 N CA -0.133 52.901 53.050 -0.027 0.000 0.764 365 N CB 0.736 39.211 38.487 -0.020 0.000 1.319 365 N HN 0.492 nan 8.380 nan 0.000 0.518 366 D N -0.145 120.239 120.400 -0.028 0.000 2.452 366 D HA 0.288 4.929 4.640 0.001 0.000 0.226 366 D C -0.492 175.795 176.300 -0.021 0.000 1.366 366 D CA -0.353 53.635 54.000 -0.021 0.000 0.986 366 D CB -0.264 40.521 40.800 -0.025 0.000 1.420 366 D HN 0.037 nan 8.370 nan 0.000 0.583 367 F N 1.611 121.556 119.950 -0.009 0.000 2.678 367 F HA 0.217 4.745 4.527 0.001 0.000 0.305 367 F C 1.908 177.716 175.800 0.013 0.000 1.090 367 F CA 0.536 58.534 58.000 -0.003 0.000 1.272 367 F CB -0.065 38.935 39.000 -0.001 0.000 1.060 367 F HN 0.461 nan 8.300 nan 0.000 0.576 368 S N -1.477 114.234 115.700 0.019 0.000 2.489 368 S HA -0.126 4.345 4.470 0.001 0.000 0.228 368 S C 1.862 176.496 174.600 0.056 0.000 0.995 368 S CA 1.584 59.807 58.200 0.038 0.000 0.934 368 S CB -0.993 62.228 63.200 0.036 0.000 0.771 368 S HN 0.578 nan 8.310 nan 0.000 0.522 369 T N 0.885 115.462 114.554 0.038 0.000 2.978 369 T HA 0.158 4.509 4.350 0.001 0.000 0.262 369 T C 2.232 176.954 174.700 0.037 0.000 1.063 369 T CA 1.200 63.326 62.100 0.044 0.000 1.140 369 T CB -0.967 67.909 68.868 0.012 0.000 0.886 369 T HN 0.565 nan 8.240 nan 0.000 0.470 370 L N 2.696 123.932 121.223 0.021 0.000 1.976 370 L HA -0.021 4.320 4.340 0.001 0.000 0.223 370 L C 0.819 177.704 176.870 0.024 0.000 1.081 370 L CA 2.867 57.718 54.840 0.018 0.000 0.784 370 L CB -3.162 38.908 42.059 0.018 0.000 0.896 370 L HN 0.421 nan 8.230 nan 0.000 0.438 371 P HA -0.201 nan 4.420 nan 0.000 0.219 371 P C 1.416 178.593 177.300 -0.206 0.000 1.146 371 P CA 1.712 64.819 63.100 0.013 0.000 0.808 371 P CB -0.161 31.633 31.700 0.157 0.000 0.779 372 E N -0.004 120.109 120.200 -0.145 0.000 2.216 372 E HA -0.058 4.293 4.350 0.001 0.000 0.192 372 E C 1.887 178.379 176.600 -0.180 0.000 0.988 372 E CA 0.667 56.859 56.400 -0.346 0.000 0.834 372 E CB -0.180 29.559 29.700 0.065 0.000 0.772 372 E HN 0.081 nan 8.360 nan 0.000 0.479 373 A N 0.578 123.364 122.820 -0.056 0.000 1.872 373 A HA -0.191 4.129 4.320 0.001 0.000 0.214 373 A C 1.967 179.550 177.584 -0.001 0.000 1.187 373 A CA 1.691 53.720 52.037 -0.013 0.000 0.614 373 A CB -0.917 18.071 19.000 -0.019 0.000 0.826 373 A HN 0.540 nan 8.150 nan 0.000 0.442 374 H N -0.201 118.800 119.070 -0.115 0.000 2.251 374 H HA -0.092 4.465 4.556 0.001 0.000 0.294 374 H C 2.226 177.479 175.328 -0.125 0.000 1.078 374 H CA 2.178 58.166 56.048 -0.101 0.000 1.246 374 H CB -0.187 29.521 29.762 -0.090 0.000 1.358 374 H HN 0.394 nan 8.280 nan 0.000 0.488 375 A N 0.181 123.065 122.820 0.106 0.000 1.940 375 A HA -0.234 4.086 4.320 0.001 0.000 0.219 375 A C 2.830 180.421 177.584 0.012 0.000 1.176 375 A CA 1.546 53.580 52.037 -0.007 0.000 0.631 375 A CB -1.558 17.131 19.000 -0.518 0.000 0.814 375 A HN 0.708 nan 8.150 nan 0.000 0.446 376 C N -0.502 118.788 119.300 -0.016 0.000 2.442 376 C HA -0.126 4.335 4.460 0.001 0.000 0.279 376 C C 3.378 178.429 174.990 0.102 0.000 1.237 376 C CA 2.204 61.286 59.018 0.105 0.000 1.722 376 C CB -1.317 26.519 27.740 0.159 0.000 2.056 376 C HN 0.795 nan 8.230 nan 0.000 0.469 377 T N -0.277 114.301 114.554 0.041 0.000 2.788 377 T HA -0.066 4.285 4.350 0.001 0.000 0.268 377 T C 1.890 176.568 174.700 -0.036 0.000 1.044 377 T CA 1.749 63.848 62.100 -0.001 0.000 1.139 377 T CB -0.612 68.222 68.868 -0.056 0.000 0.867 377 T HN 0.562 nan 8.240 nan 0.000 0.454 378 A N 1.994 124.781 122.820 -0.056 0.000 1.877 378 A HA 0.220 4.541 4.320 0.001 0.000 0.216 378 A C 2.749 180.336 177.584 0.006 0.000 1.186 378 A CA 1.815 53.823 52.037 -0.048 0.000 0.620 378 A CB -1.677 17.317 19.000 -0.010 0.000 0.822 378 A HN 0.621 nan 8.150 nan 0.000 0.443 379 G N -0.082 108.751 108.800 0.054 0.000 2.433 379 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 379 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 379 G C 1.574 176.495 174.900 0.035 0.000 1.186 379 G CA 1.100 46.247 45.100 0.078 0.000 0.779 379 G HN 0.436 nan 8.290 nan 0.000 0.543 380 L N 0.361 121.598 121.223 0.023 0.000 2.012 380 L HA -0.100 4.240 4.340 0.001 0.000 0.210 380 L C 2.848 179.667 176.870 -0.085 0.000 1.073 380 L CA 1.624 56.445 54.840 -0.030 0.000 0.748 380 L CB -0.493 41.566 42.059 0.001 0.000 0.891 380 L HN 0.156 nan 8.230 nan 0.000 0.431 381 K N 0.063 120.423 120.400 -0.067 0.000 2.103 381 K HA -0.198 4.123 4.320 0.001 0.000 0.207 381 K C 2.224 178.777 176.600 -0.078 0.000 1.048 381 K CA 1.869 58.104 56.287 -0.087 0.000 0.930 381 K CB -0.096 32.350 32.500 -0.090 0.000 0.716 381 K HN 0.209 nan 8.250 nan 0.000 0.444 382 S N 0.896 116.567 115.700 -0.049 0.000 2.343 382 S HA -0.140 4.331 4.470 0.001 0.000 0.212 382 S C 2.036 176.627 174.600 -0.014 0.000 1.033 382 S CA 1.113 59.297 58.200 -0.026 0.000 1.004 382 S CB -0.528 62.672 63.200 0.001 0.000 0.977 382 S HN 0.359 nan 8.310 nan 0.000 0.427 383 L N 1.716 122.939 121.223 -0.000 0.000 2.103 383 L HA -0.155 4.186 4.340 0.001 0.000 0.215 383 L C 2.480 179.321 176.870 -0.050 0.000 1.080 383 L CA 2.805 57.659 54.840 0.023 0.000 0.764 383 L CB -1.187 40.900 42.059 0.048 0.000 0.890 383 L HN 0.702 nan 8.230 nan 0.000 0.435 384 T N -5.608 108.800 114.554 -0.243 0.000 3.014 384 T HA -0.073 4.278 4.350 0.001 0.000 0.263 384 T C 1.738 176.338 174.700 -0.167 0.000 1.078 384 T CA 0.990 62.735 62.100 -0.591 0.000 1.135 384 T CB -0.966 67.344 68.868 -0.930 0.000 0.895 384 T HN 0.553 nan 8.240 nan 0.000 0.480 385 T N -0.225 114.315 114.554 -0.023 0.000 2.851 385 T HA 0.019 4.369 4.350 0.001 0.000 0.262 385 T C 2.288 177.095 174.700 0.178 0.000 1.043 385 T CA 1.141 63.325 62.100 0.140 0.000 1.140 385 T CB -0.877 67.996 68.868 0.009 0.000 0.872 385 T HN 0.300 nan 8.240 nan 0.000 0.446 386 S N 1.604 117.366 115.700 0.104 0.000 2.359 386 S HA -0.097 4.373 4.470 0.001 0.000 0.223 386 S C 2.449 177.163 174.600 0.191 0.000 1.039 386 S CA 1.553 59.829 58.200 0.127 0.000 1.042 386 S CB -0.985 62.279 63.200 0.107 0.000 0.915 386 S HN 0.754 nan 8.310 nan 0.000 0.439 387 A N -0.139 122.829 122.820 0.247 0.000 1.969 387 A HA -0.025 4.296 4.320 0.001 0.000 0.218 387 A C 2.306 180.078 177.584 0.313 0.000 1.169 387 A CA 2.010 54.247 52.037 0.334 0.000 0.635 387 A CB -1.117 18.204 19.000 0.536 0.000 0.810 387 A HN 0.566 nan 8.150 nan 0.000 0.445 388 T N 0.052 114.802 114.554 0.327 0.000 2.770 388 T HA 0.078 4.429 4.350 0.001 0.000 0.263 388 T C 2.291 177.095 174.700 0.174 0.000 1.039 388 T CA 1.361 63.596 62.100 0.225 0.000 1.142 388 T CB -0.388 68.556 68.868 0.126 0.000 0.868 388 T HN 0.553 nan 8.240 nan 0.000 0.435 389 A N 1.627 124.623 122.820 0.293 0.000 1.902 389 A HA -0.146 4.175 4.320 0.001 0.000 0.217 389 A C 2.070 179.749 177.584 0.158 0.000 1.181 389 A CA 2.003 54.195 52.037 0.259 0.000 0.623 389 A CB -0.815 18.320 19.000 0.225 0.000 0.818 389 A HN 0.402 nan 8.150 nan 0.000 0.443 390 D N -0.775 119.716 120.400 0.151 0.000 2.117 390 D HA -0.014 4.627 4.640 0.001 0.000 0.198 390 D C 2.000 178.367 176.300 0.110 0.000 0.982 390 D CA 1.454 55.529 54.000 0.126 0.000 0.828 390 D CB -0.268 40.615 40.800 0.138 0.000 0.967 390 D HN 0.412 nan 8.370 nan 0.000 0.464 391 G N -0.408 108.461 108.800 0.115 0.000 2.572 391 G HA2 -0.092 3.869 3.960 0.001 0.000 0.216 391 G HA3 -0.092 3.869 3.960 0.001 0.000 0.216 391 G C 1.539 176.472 174.900 0.054 0.000 1.133 391 G CA 0.057 45.206 45.100 0.081 0.000 0.791 391 G HN 0.234 nan 8.290 nan 0.000 0.538 392 I N 0.007 120.609 120.570 0.054 0.000 2.235 392 I HA -0.044 4.127 4.170 0.001 0.000 0.241 392 I C 2.576 178.721 176.117 0.046 0.000 1.085 392 I CA 0.885 62.203 61.300 0.031 0.000 1.378 392 I CB -0.031 37.978 38.000 0.014 0.000 1.076 392 I HN 0.070 nan 8.210 nan 0.000 0.415 393 E N 1.022 121.260 120.200 0.064 0.000 2.284 393 E HA -0.305 4.046 4.350 0.001 0.000 0.200 393 E C 1.768 178.405 176.600 0.062 0.000 1.008 393 E CA 1.438 57.878 56.400 0.066 0.000 0.829 393 E CB -0.071 29.673 29.700 0.073 0.000 0.744 393 E HN 0.383 nan 8.360 nan 0.000 0.491 394 E N -1.155 119.080 120.200 0.058 0.000 2.122 394 E HA -0.041 4.310 4.350 0.001 0.000 0.190 394 E C 1.876 178.504 176.600 0.046 0.000 0.977 394 E CA 1.222 57.652 56.400 0.051 0.000 0.820 394 E CB -0.556 29.173 29.700 0.048 0.000 0.770 394 E HN 0.338 nan 8.360 nan 0.000 0.462 395 C N 0.821 120.147 119.300 0.044 0.000 2.440 395 C HA 0.049 4.510 4.460 0.001 0.000 0.278 395 C C 2.651 177.671 174.990 0.051 0.000 1.295 395 C CA 0.810 59.856 59.018 0.047 0.000 1.738 395 C CB -0.887 26.877 27.740 0.040 0.000 1.987 395 C HN 0.447 nan 8.230 nan 0.000 0.492 396 R N 1.657 122.185 120.500 0.047 0.000 2.073 396 R HA -0.141 4.200 4.340 0.001 0.000 0.234 396 R C 2.510 178.852 176.300 0.070 0.000 1.134 396 R CA 2.325 58.456 56.100 0.052 0.000 0.952 396 R CB -0.370 29.966 30.300 0.060 0.000 0.850 396 R HN 0.530 nan 8.270 nan 0.000 0.433 397 K N 1.000 121.441 120.400 0.068 0.000 2.057 397 K HA -0.101 4.219 4.320 0.001 0.000 0.207 397 K C 2.253 178.896 176.600 0.072 0.000 1.049 397 K CA 1.605 57.932 56.287 0.066 0.000 0.931 397 K CB -1.010 31.523 32.500 0.055 0.000 0.714 397 K HN 0.265 nan 8.250 nan 0.000 0.440 398 L N 0.219 121.485 121.223 0.072 0.000 2.083 398 L HA -0.163 4.178 4.340 0.001 0.000 0.209 398 L C 2.466 179.426 176.870 0.151 0.000 1.083 398 L CA 0.976 55.868 54.840 0.087 0.000 0.752 398 L CB -0.263 41.837 42.059 0.068 0.000 0.899 398 L HN 0.476 nan 8.230 nan 0.000 0.433 399 C N 0.441 119.831 119.300 0.149 0.000 2.511 399 C HA 0.269 4.730 4.460 0.001 0.000 0.277 399 C C 1.547 176.656 174.990 0.199 0.000 1.451 399 C CA 0.194 59.329 59.018 0.195 0.000 1.735 399 C CB -2.229 25.477 27.740 -0.057 0.000 1.704 399 C HN 0.776 nan 8.230 nan 0.000 0.571 400 G N 0.377 109.270 108.800 0.155 0.000 2.645 400 G HA2 -0.050 3.911 3.960 0.001 0.000 0.239 400 G HA3 -0.050 3.911 3.960 0.001 0.000 0.239 400 G C 0.804 175.770 174.900 0.109 0.000 1.331 400 G CA -0.115 45.054 45.100 0.114 0.000 0.890 400 G HN 0.603 nan 8.290 nan 0.000 0.572 401 G N -1.654 107.208 108.800 0.102 0.000 2.485 401 G HA2 -0.131 3.829 3.960 0.001 0.000 0.221 401 G HA3 -0.131 3.829 3.960 0.001 0.000 0.221 401 G C 1.286 176.382 174.900 0.327 0.000 1.115 401 G CA 2.015 47.223 45.100 0.180 0.000 0.751 401 G HN 0.905 nan 8.290 nan 0.000 0.567 402 H N 0.317 119.427 119.070 0.067 0.000 2.546 402 H HA 0.067 4.623 4.556 0.001 0.000 0.277 402 H C 2.632 177.925 175.328 -0.058 0.000 1.004 402 H CA 0.216 56.264 56.048 -0.001 0.000 1.231 402 H CB -0.618 29.114 29.762 -0.050 0.000 1.382 402 H HN 0.323 nan 8.280 nan 0.000 0.580 403 G N -0.337 108.528 108.800 0.108 0.000 2.422 403 G HA2 -0.322 3.639 3.960 0.001 0.000 0.218 403 G HA3 -0.322 3.639 3.960 0.001 0.000 0.218 403 G C 1.561 176.528 174.900 0.112 0.000 1.146 403 G CA 0.516 45.656 45.100 0.067 0.000 0.769 403 G HN 0.412 nan 8.290 nan 0.000 0.547 404 Y N 1.205 121.517 120.300 0.020 0.000 2.314 404 Y HA 0.300 4.851 4.550 0.001 0.000 0.293 404 Y C 2.166 178.059 175.900 -0.012 0.000 1.129 404 Y CA 0.014 58.120 58.100 0.009 0.000 1.201 404 Y CB -0.601 37.871 38.460 0.021 0.000 0.999 404 Y HN 0.230 nan 8.280 nan 0.000 0.541 405 L N -0.835 120.385 121.223 -0.004 0.000 2.514 405 L HA -0.028 4.313 4.340 0.001 0.000 0.280 405 L C 1.712 178.498 176.870 -0.139 0.000 1.223 405 L CA 0.573 55.351 54.840 -0.104 0.000 0.864 405 L CB -1.112 40.893 42.059 -0.091 0.000 1.118 405 L HN 0.546 nan 8.230 nan 0.000 0.494 406 C N 1.082 120.288 119.300 -0.157 0.000 2.432 406 C HA -0.106 4.354 4.460 0.001 0.000 0.277 406 C C 3.005 177.939 174.990 -0.094 0.000 1.249 406 C CA 1.946 60.886 59.018 -0.130 0.000 1.725 406 C CB -0.491 27.175 27.740 -0.123 0.000 2.028 406 C HN 1.161 nan 8.230 nan 0.000 0.477 407 S N 0.905 116.555 115.700 -0.084 0.000 2.660 407 S HA -0.053 4.418 4.470 0.001 0.000 0.223 407 S C 1.510 176.073 174.600 -0.063 0.000 0.963 407 S CA 1.046 59.207 58.200 -0.066 0.000 0.932 407 S CB -0.533 62.635 63.200 -0.053 0.000 0.775 407 S HN 0.763 nan 8.310 nan 0.000 0.531 408 S N 0.792 116.447 115.700 -0.075 0.000 2.423 408 S HA 0.259 4.729 4.470 0.001 0.000 0.231 408 S C 1.877 176.434 174.600 -0.071 0.000 1.014 408 S CA 0.964 59.117 58.200 -0.079 0.000 0.965 408 S CB -0.981 62.169 63.200 -0.083 0.000 0.785 408 S HN 1.484 nan 8.310 nan 0.000 0.495 409 G N 0.774 109.532 108.800 -0.071 0.000 2.232 409 G HA2 -0.231 3.730 3.960 0.001 0.000 0.226 409 G HA3 -0.231 3.730 3.960 0.001 0.000 0.226 409 G C 0.668 175.525 174.900 -0.072 0.000 0.996 409 G CA 0.300 45.355 45.100 -0.075 0.000 0.626 409 G HN 0.494 nan 8.290 nan 0.000 0.509 410 L N 0.759 121.948 121.223 -0.058 0.000 2.127 410 L HA 0.121 4.462 4.340 0.001 0.000 0.203 410 L C 0.376 177.230 176.870 -0.027 0.000 1.080 410 L CA 1.132 55.949 54.840 -0.039 0.000 0.768 410 L CB -1.123 40.924 42.059 -0.020 0.000 0.924 410 L HN 0.105 nan 8.230 nan 0.000 0.444 411 P HA -0.299 nan 4.420 nan 0.000 0.219 411 P C 1.404 178.685 177.300 -0.030 0.000 1.159 411 P CA 1.740 64.810 63.100 -0.050 0.000 0.944 411 P CB 0.026 31.661 31.700 -0.108 0.000 0.792 412 E N -1.122 119.055 120.200 -0.039 0.000 2.110 412 E HA -0.194 4.157 4.350 0.001 0.000 0.193 412 E C 1.944 178.542 176.600 -0.003 0.000 0.988 412 E CA 0.743 57.130 56.400 -0.020 0.000 0.804 412 E CB -0.513 29.166 29.700 -0.034 0.000 0.745 412 E HN 0.006 nan 8.360 nan 0.000 0.458 413 L N 0.740 121.949 121.223 -0.023 0.000 1.970 413 L HA -0.202 4.139 4.340 0.001 0.000 0.212 413 L C 2.713 179.609 176.870 0.044 0.000 1.071 413 L CA 2.798 57.627 54.840 -0.019 0.000 0.751 413 L CB -1.167 40.855 42.059 -0.061 0.000 0.889 413 L HN 0.265 nan 8.230 nan 0.000 0.432 414 F N -0.899 119.078 119.950 0.044 0.000 2.095 414 F HA -0.055 4.472 4.527 0.001 0.000 0.298 414 F C 2.571 178.422 175.800 0.086 0.000 1.104 414 F CA 2.306 60.356 58.000 0.084 0.000 1.232 414 F CB -1.837 37.201 39.000 0.063 0.000 0.987 414 F HN 0.450 nan 8.300 nan 0.000 0.475 415 A N -0.330 122.523 122.820 0.056 0.000 1.869 415 A HA -0.146 4.174 4.320 0.001 0.000 0.218 415 A C 2.485 180.114 177.584 0.075 0.000 1.203 415 A CA 2.703 54.771 52.037 0.052 0.000 0.638 415 A CB -1.634 17.392 19.000 0.043 0.000 0.831 415 A HN 1.138 nan 8.150 nan 0.000 0.450 416 V N -1.879 118.104 119.914 0.115 0.000 2.515 416 V HA -0.185 3.936 4.120 0.001 0.000 0.250 416 V C 2.128 178.331 176.094 0.182 0.000 1.058 416 V CA 2.428 64.844 62.300 0.193 0.000 1.064 416 V CB -0.508 31.416 31.823 0.168 0.000 0.675 416 V HN 0.688 nan 8.190 nan 0.000 0.461 417 Y N -0.941 119.375 120.300 0.025 0.000 2.436 417 Y HA 0.091 4.642 4.550 0.001 0.000 0.288 417 Y C 2.259 178.136 175.900 -0.039 0.000 1.112 417 Y CA 1.585 59.687 58.100 0.003 0.000 1.220 417 Y CB 0.118 38.578 38.460 0.000 0.000 1.073 417 Y HN 0.019 nan 8.280 nan 0.000 0.552 418 V N 2.854 122.725 119.914 -0.071 0.000 2.568 418 V HA -0.168 3.952 4.120 0.001 0.000 0.253 418 V C -0.771 175.150 176.094 -0.289 0.000 1.072 418 V CA 1.981 64.194 62.300 -0.145 0.000 1.084 418 V CB -1.165 30.641 31.823 -0.029 0.000 0.676 418 V HN 0.364 nan 8.190 nan 0.000 0.469 419 P HA -0.090 nan 4.420 nan 0.000 0.231 419 P C 1.359 178.396 177.300 -0.439 0.000 1.158 419 P CA 1.479 64.307 63.100 -0.454 0.000 0.763 419 P CB -0.084 31.219 31.700 -0.661 0.000 0.805 420 A N -0.228 122.289 122.820 -0.504 0.000 1.930 420 A HA -0.134 4.187 4.320 0.001 0.000 0.217 420 A C 2.382 179.769 177.584 -0.327 0.000 1.175 420 A CA 1.297 53.042 52.037 -0.487 0.000 0.627 420 A CB -1.610 16.886 19.000 -0.839 0.000 0.815 420 A HN 0.255 nan 8.150 nan 0.000 0.443 421 C N -0.495 118.640 119.300 -0.275 0.000 2.409 421 C HA -0.051 4.410 4.460 0.001 0.000 0.284 421 C C 2.933 177.828 174.990 -0.159 0.000 1.354 421 C CA 1.640 60.561 59.018 -0.161 0.000 1.787 421 C CB -1.360 26.318 27.740 -0.103 0.000 1.900 421 C HN 0.813 nan 8.230 nan 0.000 0.520 422 T N -4.446 109.979 114.554 -0.215 0.000 2.978 422 T HA 0.244 4.595 4.350 0.001 0.000 0.248 422 T C 0.622 175.178 174.700 -0.240 0.000 1.018 422 T CA 0.672 62.644 62.100 -0.215 0.000 1.026 422 T CB -0.398 68.325 68.868 -0.242 0.000 1.032 422 T HN 0.521 nan 8.240 nan 0.000 0.485 423 Y N 0.744 120.878 120.300 -0.277 0.000 2.379 423 Y HA 0.595 5.146 4.550 0.001 0.000 0.337 423 Y C 1.054 176.835 175.900 -0.199 0.000 1.238 423 Y CA -0.760 57.186 58.100 -0.258 0.000 1.405 423 Y CB -1.117 37.178 38.460 -0.275 0.000 1.310 423 Y HN 1.115 nan 8.280 nan 0.000 0.569 424 E N 0.818 120.909 120.200 -0.182 0.000 2.235 424 E HA 0.321 4.672 4.350 0.001 0.000 0.176 424 E C 1.367 177.880 176.600 -0.145 0.000 1.687 424 E CA 1.226 57.524 56.400 -0.170 0.000 0.617 424 E CB -1.923 27.663 29.700 -0.190 0.000 1.030 424 E HN 3.149 nan 8.360 nan 0.000 0.307 425 G N 1.088 109.816 108.800 -0.120 0.000 3.445 425 G HA2 0.210 4.171 3.960 0.001 0.000 0.634 425 G HA3 0.210 4.171 3.960 0.001 0.000 0.634 425 G C -0.165 174.679 174.900 -0.094 0.000 0.909 425 G CA 0.714 45.758 45.100 -0.094 0.000 0.740 425 G HN 2.071 nan 8.290 nan 0.000 0.441 426 D N 2.328 122.682 120.400 -0.078 0.000 2.425 426 D HA 0.229 4.869 4.640 0.001 0.000 0.247 426 D C 1.437 177.706 176.300 -0.052 0.000 1.147 426 D CA -0.142 53.813 54.000 -0.075 0.000 0.879 426 D CB 0.611 41.372 40.800 -0.065 0.000 1.179 426 D HN 0.196 nan 8.370 nan 0.000 0.456 427 N N 2.627 121.296 118.700 -0.053 0.000 2.037 427 N HA -0.186 4.555 4.740 0.001 0.000 0.196 427 N C 1.653 177.159 175.510 -0.007 0.000 1.034 427 N CA 1.241 54.273 53.050 -0.030 0.000 0.861 427 N CB -0.410 38.063 38.487 -0.023 0.000 1.039 427 N HN 0.387 nan 8.380 nan 0.000 0.427 428 V N -0.006 119.906 119.914 -0.004 0.000 2.295 428 V HA -0.136 3.985 4.120 0.001 0.000 0.246 428 V C 2.300 178.395 176.094 0.002 0.000 1.049 428 V CA 1.143 63.447 62.300 0.007 0.000 1.024 428 V CB -0.395 31.433 31.823 0.009 0.000 0.648 428 V HN 0.132 nan 8.190 nan 0.000 0.447 429 V N -0.482 119.426 119.914 -0.009 0.000 2.515 429 V HA -0.192 3.929 4.120 0.001 0.000 0.250 429 V C 2.166 178.256 176.094 -0.007 0.000 1.058 429 V CA 1.749 64.042 62.300 -0.012 0.000 1.064 429 V CB -0.125 31.689 31.823 -0.015 0.000 0.675 429 V HN 0.443 nan 8.190 nan 0.000 0.461 430 L N -0.488 120.732 121.223 -0.004 0.000 2.027 430 L HA -0.210 4.130 4.340 0.001 0.000 0.206 430 L C 3.030 179.918 176.870 0.029 0.000 1.074 430 L CA 2.162 57.008 54.840 0.010 0.000 0.745 430 L CB -1.157 40.895 42.059 -0.012 0.000 0.898 430 L HN 0.507 nan 8.230 nan 0.000 0.433 431 Q N 0.340 120.156 119.800 0.027 0.000 2.079 431 Q HA -0.171 4.170 4.340 0.001 0.000 0.200 431 Q C 2.148 178.170 176.000 0.036 0.000 0.974 431 Q CA 1.607 57.439 55.803 0.048 0.000 0.840 431 Q CB -1.063 27.708 28.738 0.054 0.000 0.898 431 Q HN 0.542 nan 8.270 nan 0.000 0.430 432 L N -0.023 121.205 121.223 0.008 0.000 2.089 432 L HA -0.358 3.983 4.340 0.001 0.000 0.213 432 L C 2.976 179.804 176.870 -0.071 0.000 1.079 432 L CA 2.101 56.921 54.840 -0.033 0.000 0.758 432 L CB -0.324 41.705 42.059 -0.050 0.000 0.891 432 L HN 0.553 nan 8.230 nan 0.000 0.433 433 Q N -1.022 118.760 119.800 -0.031 0.000 2.084 433 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 433 Q C 2.287 178.296 176.000 0.015 0.000 0.978 433 Q CA 1.678 57.464 55.803 -0.028 0.000 0.844 433 Q CB -0.086 28.686 28.738 0.057 0.000 0.898 433 Q HN 0.354 nan 8.270 nan 0.000 0.426 434 V N 0.610 120.568 119.914 0.073 0.000 2.343 434 V HA -0.284 3.836 4.120 0.001 0.000 0.247 434 V C 2.199 178.379 176.094 0.143 0.000 1.051 434 V CA 1.692 64.079 62.300 0.145 0.000 1.036 434 V CB -1.025 30.894 31.823 0.160 0.000 0.654 434 V HN 0.430 nan 8.190 nan 0.000 0.451 435 A N 0.107 122.968 122.820 0.068 0.000 1.883 435 A HA -0.282 4.039 4.320 0.001 0.000 0.217 435 A C 2.365 179.957 177.584 0.013 0.000 1.186 435 A CA 2.141 54.205 52.037 0.045 0.000 0.624 435 A CB -0.580 18.441 19.000 0.036 0.000 0.822 435 A HN 0.501 nan 8.150 nan 0.000 0.444 436 R N -1.982 118.450 120.500 -0.114 0.000 2.117 436 R HA -0.184 4.156 4.340 0.001 0.000 0.243 436 R C 2.003 178.301 176.300 -0.003 0.000 1.143 436 R CA 1.787 57.779 56.100 -0.180 0.000 0.968 436 R CB -0.529 29.561 30.300 -0.350 0.000 0.863 436 R HN 0.667 nan 8.270 nan 0.000 0.444 437 F N 1.268 121.166 119.950 -0.087 0.000 2.084 437 F HA -0.131 4.396 4.527 0.001 0.000 0.296 437 F C 1.851 177.619 175.800 -0.053 0.000 1.111 437 F CA 1.346 59.308 58.000 -0.064 0.000 1.224 437 F CB -0.385 38.585 39.000 -0.051 0.000 0.991 437 F HN -0.127 nan 8.300 nan 0.000 0.471 438 L N -0.269 120.841 121.223 -0.188 0.000 2.013 438 L HA -0.310 4.030 4.340 0.001 0.000 0.212 438 L C 2.605 179.344 176.870 -0.218 0.000 1.073 438 L CA 1.314 55.982 54.840 -0.286 0.000 0.753 438 L CB -0.760 41.224 42.059 -0.125 0.000 0.890 438 L HN 0.247 nan 8.230 nan 0.000 0.432 439 M N 0.067 119.626 119.600 -0.068 0.000 2.080 439 M HA -0.223 4.258 4.480 0.001 0.000 0.260 439 M C 2.823 179.094 176.300 -0.048 0.000 1.068 439 M CA 2.485 57.793 55.300 0.013 0.000 1.109 439 M CB -1.301 31.433 32.600 0.223 0.000 1.342 439 M HN 0.289 nan 8.290 nan 0.000 0.405 440 K N -0.023 120.331 120.400 -0.078 0.000 2.063 440 K HA -0.126 4.195 4.320 0.001 0.000 0.208 440 K C 1.985 178.458 176.600 -0.212 0.000 1.048 440 K CA 2.241 58.462 56.287 -0.109 0.000 0.928 440 K CB -1.970 30.476 32.500 -0.089 0.000 0.713 440 K HN 0.530 nan 8.250 nan 0.000 0.442 441 T N 1.018 115.330 114.554 -0.402 0.000 2.720 441 T HA -0.097 4.254 4.350 0.001 0.000 0.268 441 T C 2.033 176.592 174.700 -0.236 0.000 1.037 441 T CA 1.540 63.393 62.100 -0.411 0.000 1.144 441 T CB -0.335 68.146 68.868 -0.645 0.000 0.864 441 T HN 0.443 nan 8.240 nan 0.000 0.444 442 I N 1.207 121.660 120.570 -0.194 0.000 2.179 442 I HA -0.195 3.975 4.170 0.001 0.000 0.242 442 I C 2.705 178.767 176.117 -0.091 0.000 1.088 442 I CA 1.003 62.227 61.300 -0.127 0.000 1.357 442 I CB -0.447 37.495 38.000 -0.096 0.000 1.051 442 I HN 0.199 nan 8.210 nan 0.000 0.409 443 S N 0.723 116.375 115.700 -0.080 0.000 2.381 443 S HA -0.321 4.150 4.470 0.001 0.000 0.230 443 S C 1.758 176.326 174.600 -0.054 0.000 1.052 443 S CA 1.732 59.898 58.200 -0.056 0.000 1.068 443 S CB -0.645 62.529 63.200 -0.043 0.000 0.918 443 S HN 0.562 nan 8.310 nan 0.000 0.448 444 Q N 0.695 120.453 119.800 -0.069 0.000 2.488 444 Q HA 0.162 4.503 4.340 0.001 0.000 0.211 444 Q C 1.903 177.875 176.000 -0.045 0.000 0.967 444 Q CA 0.335 56.106 55.803 -0.053 0.000 0.926 444 Q CB -0.510 28.193 28.738 -0.057 0.000 0.992 444 Q HN 0.492 nan 8.270 nan 0.000 0.506 445 L N 0.510 121.700 121.223 -0.053 0.000 2.079 445 L HA -0.141 4.199 4.340 0.001 0.000 0.210 445 L C 2.411 179.266 176.870 -0.027 0.000 1.081 445 L CA 1.363 56.178 54.840 -0.042 0.000 0.752 445 L CB -0.746 41.284 42.059 -0.047 0.000 0.896 445 L HN 0.334 nan 8.230 nan 0.000 0.433 446 G N -0.860 107.925 108.800 -0.025 0.000 2.443 446 G HA2 -0.257 3.704 3.960 0.001 0.000 0.219 446 G HA3 -0.257 3.704 3.960 0.001 0.000 0.219 446 G C 1.634 176.526 174.900 -0.013 0.000 1.131 446 G CA 1.123 46.212 45.100 -0.017 0.000 0.775 446 G HN 0.459 nan 8.290 nan 0.000 0.547 447 T N -2.324 112.221 114.554 -0.015 0.000 3.163 447 T HA 0.319 4.670 4.350 0.001 0.000 0.260 447 T C 2.031 176.727 174.700 -0.007 0.000 1.156 447 T CA 0.966 63.059 62.100 -0.010 0.000 1.072 447 T CB -0.213 68.648 68.868 -0.011 0.000 0.937 447 T HN 1.303 nan 8.240 nan 0.000 0.528 448 G N 1.371 110.166 108.800 -0.008 0.000 2.179 448 G HA2 -0.332 3.628 3.960 0.001 0.000 0.260 448 G HA3 -0.332 3.628 3.960 0.001 0.000 0.260 448 G C 0.118 175.017 174.900 -0.002 0.000 0.977 448 G CA 0.360 45.458 45.100 -0.004 0.000 0.641 448 G HN 0.979 nan 8.290 nan 0.000 0.533 449 K N 1.318 121.714 120.400 -0.006 0.000 2.395 449 K HA 0.546 4.867 4.320 0.001 0.000 0.283 449 K C 0.536 177.133 176.600 -0.006 0.000 1.068 449 K CA 0.970 57.254 56.287 -0.004 0.000 1.039 449 K CB -0.020 32.475 32.500 -0.008 0.000 0.924 449 K HN 0.736 nan 8.250 nan 0.000 0.468 450 K N 5.010 125.413 120.400 0.006 0.000 2.234 450 K HA 0.356 4.677 4.320 0.001 0.000 0.282 450 K C -2.467 174.144 176.600 0.018 0.000 1.039 450 K CA -1.644 54.648 56.287 0.009 0.000 0.928 450 K CB -0.096 32.416 32.500 0.019 0.000 1.039 450 K HN 0.702 nan 8.250 nan 0.000 0.470 451 P HA 0.513 nan 4.420 nan 0.000 0.282 451 P C -0.648 176.697 177.300 0.075 0.000 1.249 451 P CA -0.633 62.486 63.100 0.032 0.000 0.806 451 P CB 1.254 32.942 31.700 -0.019 0.000 0.984 452 V N -1.892 118.095 119.914 0.121 0.000 2.960 452 V HA 0.909 5.030 4.120 0.001 0.000 0.315 452 V C 0.716 176.933 176.094 0.206 0.000 1.087 452 V CA 0.047 62.435 62.300 0.147 0.000 0.982 452 V CB 0.782 32.687 31.823 0.136 0.000 1.039 452 V HN 0.958 nan 8.190 nan 0.000 0.437 453 G N 2.687 111.618 108.800 0.220 0.000 2.543 453 G HA2 -0.318 3.643 3.960 0.001 0.000 0.286 453 G HA3 -0.318 3.643 3.960 0.001 0.000 0.286 453 G C 1.056 176.132 174.900 0.293 0.000 1.153 453 G CA 1.350 46.616 45.100 0.277 0.000 0.968 453 G HN 2.271 nan 8.290 nan 0.000 0.544 454 T N -0.650 114.110 114.554 0.345 0.000 3.085 454 T HA 0.231 4.581 4.350 0.001 0.000 0.263 454 T C 2.228 177.270 174.700 0.569 0.000 1.127 454 T CA 2.570 64.887 62.100 0.363 0.000 1.103 454 T CB -0.059 69.013 68.868 0.340 0.000 0.921 454 T HN 1.790 nan 8.240 nan 0.000 0.510 455 V N -1.379 118.812 119.914 0.461 0.000 3.621 455 V HA 0.356 4.477 4.120 0.001 0.000 0.285 455 V C 2.392 178.555 176.094 0.116 0.000 1.346 455 V CA 0.436 62.912 62.300 0.294 0.000 1.104 455 V CB -0.509 31.424 31.823 0.184 0.000 0.913 455 V HN 0.388 nan 8.190 nan 0.000 0.432 456 S N 1.935 117.774 115.700 0.231 0.000 2.407 456 S HA -0.274 4.197 4.470 0.001 0.000 0.235 456 S C 1.940 176.625 174.600 0.142 0.000 1.036 456 S CA 2.398 60.696 58.200 0.165 0.000 1.013 456 S CB -0.630 62.682 63.200 0.186 0.000 0.820 456 S HN 0.989 nan 8.310 nan 0.000 0.476 457 Y N -0.289 120.078 120.300 0.112 0.000 2.274 457 Y HA 0.107 4.658 4.550 0.001 0.000 0.290 457 Y C 2.123 178.074 175.900 0.085 0.000 1.145 457 Y CA 1.153 59.311 58.100 0.097 0.000 1.203 457 Y CB -0.614 37.912 38.460 0.110 0.000 0.984 457 Y HN 0.189 nan 8.280 nan 0.000 0.533 458 M N 1.274 120.538 119.600 -0.561 0.000 2.706 458 M HA -0.020 4.461 4.480 0.001 0.000 0.251 458 M C 1.998 178.208 176.300 -0.150 0.000 1.070 458 M CA 1.195 56.244 55.300 -0.417 0.000 1.073 458 M CB -0.252 32.045 32.600 -0.506 0.000 1.449 458 M HN 0.574 nan 8.290 nan 0.000 0.531 459 G N -0.515 108.246 108.800 -0.066 0.000 2.679 459 G HA2 -0.114 3.847 3.960 0.001 0.000 0.212 459 G HA3 -0.114 3.847 3.960 0.001 0.000 0.212 459 G C 1.496 176.407 174.900 0.020 0.000 1.137 459 G CA 0.183 45.275 45.100 -0.012 0.000 0.787 459 G HN 0.413 nan 8.290 nan 0.000 0.534 460 R N -0.791 119.735 120.500 0.044 0.000 2.437 460 R HA 0.344 4.685 4.340 0.001 0.000 0.257 460 R C 1.833 178.204 176.300 0.119 0.000 0.927 460 R CA -0.379 55.779 56.100 0.096 0.000 1.078 460 R CB 0.069 30.451 30.300 0.136 0.000 1.161 460 R HN 0.291 nan 8.270 nan 0.000 0.529 461 I N 2.170 122.780 120.570 0.067 0.000 2.182 461 I HA -0.443 3.728 4.170 0.001 0.000 0.248 461 I C 2.288 178.447 176.117 0.070 0.000 1.073 461 I CA 2.071 63.407 61.300 0.060 0.000 1.335 461 I CB -0.209 37.799 38.000 0.013 0.000 1.031 461 I HN 0.300 nan 8.210 nan 0.000 0.420 462 E N 0.480 120.723 120.200 0.071 0.000 2.021 462 E HA -0.377 3.973 4.350 0.001 0.000 0.200 462 E C 2.058 178.716 176.600 0.096 0.000 1.015 462 E CA 2.278 58.721 56.400 0.072 0.000 0.824 462 E CB -0.784 28.956 29.700 0.067 0.000 0.762 462 E HN 0.687 nan 8.360 nan 0.000 0.454 463 H N -0.354 118.746 119.070 0.050 0.000 2.357 463 H HA -0.012 4.545 4.556 0.001 0.000 0.301 463 H C 1.805 177.181 175.328 0.081 0.000 1.082 463 H CA 1.301 57.387 56.048 0.063 0.000 1.342 463 H CB -0.084 29.716 29.762 0.064 0.000 1.389 463 H HN 0.237 nan 8.280 nan 0.000 0.511 464 L N 0.104 121.421 121.223 0.157 0.000 2.622 464 L HA 0.048 4.389 4.340 0.001 0.000 0.233 464 L C 1.339 178.232 176.870 0.038 0.000 1.156 464 L CA 1.023 55.939 54.840 0.126 0.000 0.866 464 L CB -0.325 41.860 42.059 0.211 0.000 0.980 464 L HN 0.521 nan 8.230 nan 0.000 0.448 465 M N -1.575 118.033 119.600 0.013 0.000 2.337 465 M HA 0.105 4.586 4.480 0.001 0.000 0.256 465 M C 0.537 176.842 176.300 0.009 0.000 1.075 465 M CA 0.251 55.563 55.300 0.020 0.000 1.024 465 M CB 0.480 33.095 32.600 0.025 0.000 1.429 465 M HN 0.328 nan 8.290 nan 0.000 0.497 466 Q N -1.325 118.454 119.800 -0.036 0.000 2.110 466 Q HA 0.138 4.478 4.340 0.001 0.000 0.232 466 Q C 1.210 177.175 176.000 -0.059 0.000 0.810 466 Q CA -0.184 55.601 55.803 -0.029 0.000 1.083 466 Q CB -0.864 27.862 28.738 -0.020 0.000 1.193 466 Q HN 0.474 nan 8.270 nan 0.000 0.471 467 C N -0.519 118.735 119.300 -0.077 0.000 2.519 467 C HA 0.397 4.857 4.460 0.001 0.000 0.281 467 C C 0.698 175.679 174.990 -0.015 0.000 1.331 467 C CA -0.240 58.703 59.018 -0.125 0.000 1.725 467 C CB -0.502 27.059 27.740 -0.299 0.000 2.079 467 C HN 0.596 nan 8.230 nan 0.000 0.496 468 R N 0.835 121.341 120.500 0.009 0.000 1.168 468 R HA -0.132 4.209 4.340 0.001 0.000 0.418 468 R C -0.151 175.949 176.300 -0.334 0.000 1.353 468 R CA 0.655 56.620 56.100 -0.226 0.000 1.272 468 R CB -0.962 29.259 30.300 -0.132 0.000 3.598 468 R HN 0.730 nan 8.270 nan 0.000 0.493 469 S N 1.299 116.557 115.700 -0.736 0.000 2.568 469 S HA 0.216 4.686 4.470 0.001 0.000 0.282 469 S C 1.283 175.726 174.600 -0.261 0.000 1.338 469 S CA 0.557 58.463 58.200 -0.490 0.000 1.045 469 S CB 0.800 63.675 63.200 -0.543 0.000 0.873 469 S HN 0.585 nan 8.310 nan 0.000 0.516 470 D N 3.123 123.399 120.400 -0.208 0.000 2.339 470 D HA 0.258 4.899 4.640 0.001 0.000 0.217 470 D C 0.402 176.573 176.300 -0.215 0.000 1.050 470 D CA 0.013 53.913 54.000 -0.167 0.000 0.856 470 D CB -0.040 40.692 40.800 -0.113 0.000 0.922 470 D HN 0.518 nan 8.370 nan 0.000 0.518 471 V N 1.761 121.480 119.914 -0.325 0.000 2.409 471 V HA 0.089 4.210 4.120 0.001 0.000 0.270 471 V C 1.090 177.051 176.094 -0.222 0.000 1.019 471 V CA 0.081 62.133 62.300 -0.414 0.000 1.066 471 V CB 0.971 32.275 31.823 -0.866 0.000 1.021 471 V HN 0.269 nan 8.190 nan 0.000 0.476 472 K N 3.393 123.690 120.400 -0.172 0.000 2.244 472 K HA 0.220 4.540 4.320 0.001 0.000 0.200 472 K C 0.928 177.488 176.600 -0.066 0.000 1.052 472 K CA 0.808 57.037 56.287 -0.095 0.000 0.980 472 K CB 0.128 32.582 32.500 -0.077 0.000 0.838 472 K HN 0.751 nan 8.250 nan 0.000 0.481 473 Q N -0.366 119.384 119.800 -0.083 0.000 2.495 473 Q HA 0.716 5.057 4.340 0.001 0.000 0.283 473 Q C 0.949 176.934 176.000 -0.025 0.000 1.097 473 Q CA 0.095 55.873 55.803 -0.041 0.000 0.836 473 Q CB 0.953 29.668 28.738 -0.039 0.000 1.426 473 Q HN 0.074 nan 8.270 nan 0.000 0.459 474 A N -0.154 122.683 122.820 0.028 0.000 1.873 474 A HA 0.179 4.500 4.320 0.001 0.000 0.215 474 A C 2.195 179.828 177.584 0.082 0.000 1.186 474 A CA 2.296 54.391 52.037 0.096 0.000 0.616 474 A CB -1.032 18.013 19.000 0.076 0.000 0.823 474 A HN 1.521 nan 8.150 nan 0.000 0.442 475 E N 0.395 120.608 120.200 0.022 0.000 2.273 475 E HA -0.265 4.086 4.350 0.001 0.000 0.198 475 E C 1.419 178.009 176.600 -0.017 0.000 1.002 475 E CA 1.606 58.012 56.400 0.010 0.000 0.828 475 E CB -0.953 28.742 29.700 -0.008 0.000 0.747 475 E HN 0.670 nan 8.360 nan 0.000 0.491 476 D N -0.946 119.396 120.400 -0.096 0.000 2.264 476 D HA -0.092 4.549 4.640 0.001 0.000 0.208 476 D C 1.108 177.261 176.300 -0.245 0.000 0.966 476 D CA 0.493 54.367 54.000 -0.211 0.000 0.864 476 D CB -0.414 40.187 40.800 -0.332 0.000 0.933 476 D HN 0.790 nan 8.370 nan 0.000 0.499 477 W N 0.620 121.908 121.300 -0.020 0.000 3.096 477 W HA 0.134 4.794 4.660 0.001 0.000 0.241 477 W C 1.600 178.108 176.519 -0.019 0.000 1.316 477 W CA -0.128 57.205 57.345 -0.019 0.000 1.520 477 W CB -0.065 29.373 29.460 -0.037 0.000 1.128 477 W HN -0.018 nan 8.180 nan 0.000 0.707 478 L N -0.310 120.992 121.223 0.133 0.000 2.515 478 L HA 0.130 4.471 4.340 0.001 0.000 0.223 478 L C 0.987 177.881 176.870 0.041 0.000 1.079 478 L CA 0.082 54.965 54.840 0.073 0.000 0.857 478 L CB -0.406 41.674 42.059 0.036 0.000 1.050 478 L HN -0.319 nan 8.230 nan 0.000 0.476 479 K N 2.410 122.819 120.400 0.014 0.000 2.405 479 K HA -0.049 4.271 4.320 0.001 0.000 0.273 479 K C -1.410 175.212 176.600 0.036 0.000 1.116 479 K CA -0.781 55.507 56.287 0.002 0.000 1.155 479 K CB 0.449 32.927 32.500 -0.036 0.000 0.858 479 K HN -0.079 nan 8.250 nan 0.000 0.477 480 P HA -0.296 nan 4.420 nan 0.000 0.215 480 P C 1.385 178.726 177.300 0.069 0.000 1.163 480 P CA 1.590 64.718 63.100 0.047 0.000 0.894 480 P CB 0.077 31.793 31.700 0.026 0.000 0.791 481 S N -0.235 115.495 115.700 0.051 0.000 2.419 481 S HA -0.083 4.388 4.470 0.001 0.000 0.233 481 S C 2.041 176.695 174.600 0.090 0.000 1.016 481 S CA 1.214 59.452 58.200 0.062 0.000 0.974 481 S CB -1.101 62.123 63.200 0.039 0.000 0.786 481 S HN 0.168 nan 8.310 nan 0.000 0.492 482 A N 0.402 123.264 122.820 0.069 0.000 2.072 482 A HA 0.333 4.654 4.320 0.001 0.000 0.216 482 A C 2.203 179.931 177.584 0.240 0.000 1.156 482 A CA 0.902 52.978 52.037 0.066 0.000 0.701 482 A CB -0.420 18.495 19.000 -0.140 0.000 0.816 482 A HN 0.465 nan 8.150 nan 0.000 0.458 483 V N -0.564 119.518 119.914 0.280 0.000 2.500 483 V HA -0.091 4.029 4.120 0.001 0.000 0.243 483 V C 2.327 178.637 176.094 0.360 0.000 1.039 483 V CA 1.341 63.884 62.300 0.404 0.000 1.053 483 V CB -0.370 31.644 31.823 0.319 0.000 0.695 483 V HN 0.532 nan 8.190 nan 0.000 0.463 484 L N 0.997 122.350 121.223 0.216 0.000 1.956 484 L HA -0.247 4.093 4.340 0.001 0.000 0.216 484 L C 2.485 179.463 176.870 0.180 0.000 1.073 484 L CA 2.740 57.675 54.840 0.158 0.000 0.762 484 L CB -0.951 41.161 42.059 0.088 0.000 0.889 484 L HN 0.534 nan 8.230 nan 0.000 0.433 485 E N -0.921 119.381 120.200 0.171 0.000 2.130 485 E HA -0.257 4.094 4.350 0.001 0.000 0.196 485 E C 2.022 178.636 176.600 0.022 0.000 0.998 485 E CA 1.390 57.874 56.400 0.140 0.000 0.806 485 E CB -0.222 29.610 29.700 0.221 0.000 0.738 485 E HN 0.604 nan 8.360 nan 0.000 0.459 486 A N 0.405 123.334 122.820 0.182 0.000 1.851 486 A HA -0.186 4.135 4.320 0.001 0.000 0.216 486 A C 1.980 179.590 177.584 0.044 0.000 1.195 486 A CA 1.674 53.764 52.037 0.089 0.000 0.622 486 A CB -1.137 18.103 19.000 0.401 0.000 0.831 486 A HN 0.412 nan 8.150 nan 0.000 0.444 487 F N 0.160 120.210 119.950 0.165 0.000 2.216 487 F HA -0.133 4.395 4.527 0.001 0.000 0.300 487 F C 2.507 178.246 175.800 -0.101 0.000 1.085 487 F CA 1.746 59.810 58.000 0.106 0.000 1.326 487 F CB -0.264 38.779 39.000 0.073 0.000 1.027 487 F HN 0.336 nan 8.300 nan 0.000 0.497 488 E N -0.082 120.124 120.200 0.010 0.000 2.028 488 E HA -0.187 4.164 4.350 0.001 0.000 0.191 488 E C 2.455 179.023 176.600 -0.053 0.000 0.988 488 E CA 0.986 57.303 56.400 -0.138 0.000 0.799 488 E CB -0.352 29.317 29.700 -0.051 0.000 0.755 488 E HN 0.347 nan 8.360 nan 0.000 0.447 489 A N 1.739 124.463 122.820 -0.158 0.000 1.972 489 A HA -0.215 4.105 4.320 0.001 0.000 0.219 489 A C 2.090 179.569 177.584 -0.176 0.000 1.169 489 A CA 1.355 53.261 52.037 -0.218 0.000 0.635 489 A CB -0.467 18.165 19.000 -0.613 0.000 0.810 489 A HN 0.080 nan 8.150 nan 0.000 0.446 490 R N -0.436 119.922 120.500 -0.237 0.000 2.061 490 R HA -0.106 4.235 4.340 0.001 0.000 0.230 490 R C 2.470 178.679 176.300 -0.151 0.000 1.140 490 R CA 1.906 57.822 56.100 -0.307 0.000 0.940 490 R CB -0.672 29.242 30.300 -0.643 0.000 0.839 490 R HN 0.454 nan 8.270 nan 0.000 0.429 491 S N 0.024 115.691 115.700 -0.054 0.000 2.353 491 S HA -0.161 4.310 4.470 0.001 0.000 0.222 491 S C 2.052 176.770 174.600 0.197 0.000 1.035 491 S CA 1.538 59.798 58.200 0.100 0.000 1.025 491 S CB -0.351 62.946 63.200 0.162 0.000 0.902 491 S HN 0.556 nan 8.310 nan 0.000 0.440 492 A N 1.199 124.201 122.820 0.302 0.000 1.940 492 A HA -0.126 4.195 4.320 0.001 0.000 0.219 492 A C 2.223 179.860 177.584 0.089 0.000 1.176 492 A CA 1.741 53.917 52.037 0.232 0.000 0.631 492 A CB -0.595 18.567 19.000 0.270 0.000 0.814 492 A HN 0.604 nan 8.150 nan 0.000 0.446 493 R N -1.307 119.220 120.500 0.045 0.000 2.062 493 R HA 0.043 4.383 4.340 0.001 0.000 0.229 493 R C 2.343 178.647 176.300 0.005 0.000 1.128 493 R CA 1.659 57.767 56.100 0.014 0.000 0.960 493 R CB -0.330 29.966 30.300 -0.006 0.000 0.855 493 R HN 0.544 nan 8.270 nan 0.000 0.432 494 M N -0.315 119.280 119.600 -0.008 0.000 2.159 494 M HA -0.151 4.329 4.480 0.001 0.000 0.263 494 M C 2.183 178.495 176.300 0.021 0.000 1.063 494 M CA 1.471 56.767 55.300 -0.006 0.000 1.110 494 M CB -0.051 32.533 32.600 -0.026 0.000 1.374 494 M HN 0.078 nan 8.290 nan 0.000 0.411 495 S N -0.217 115.506 115.700 0.039 0.000 2.406 495 S HA -0.067 4.404 4.470 0.001 0.000 0.228 495 S C 1.822 176.434 174.600 0.019 0.000 1.020 495 S CA 0.816 59.038 58.200 0.036 0.000 0.965 495 S CB -0.071 63.154 63.200 0.041 0.000 0.798 495 S HN 0.239 nan 8.310 nan 0.000 0.488 496 V N 1.553 121.477 119.914 0.016 0.000 2.591 496 V HA -0.048 4.073 4.120 0.001 0.000 0.249 496 V C 2.492 178.592 176.094 0.011 0.000 1.053 496 V CA 1.376 63.681 62.300 0.007 0.000 1.068 496 V CB -0.881 30.946 31.823 0.007 0.000 0.689 496 V HN 0.505 nan 8.190 nan 0.000 0.462 497 A N -1.202 121.627 122.820 0.015 0.000 1.972 497 A HA -0.244 4.077 4.320 0.001 0.000 0.219 497 A C 2.325 179.925 177.584 0.027 0.000 1.169 497 A CA 2.150 54.198 52.037 0.017 0.000 0.635 497 A CB -0.901 18.108 19.000 0.015 0.000 0.810 497 A HN 0.587 nan 8.150 nan 0.000 0.446 498 C N -1.416 117.903 119.300 0.032 0.000 2.489 498 C HA 0.170 4.631 4.460 0.001 0.000 0.279 498 C C 3.338 178.350 174.990 0.036 0.000 1.266 498 C CA 0.650 59.695 59.018 0.045 0.000 1.707 498 C CB -1.193 26.580 27.740 0.056 0.000 2.059 498 C HN 0.715 nan 8.230 nan 0.000 0.481 499 A N 1.012 123.845 122.820 0.022 0.000 1.908 499 A HA -0.148 4.173 4.320 0.001 0.000 0.218 499 A C 2.291 179.878 177.584 0.005 0.000 1.181 499 A CA 3.081 55.120 52.037 0.005 0.000 0.627 499 A CB -0.971 18.024 19.000 -0.008 0.000 0.818 499 A HN 0.614 nan 8.150 nan 0.000 0.445 500 K N -0.024 120.381 120.400 0.008 0.000 2.009 500 K HA -0.216 4.105 4.320 0.001 0.000 0.210 500 K C 1.801 178.409 176.600 0.014 0.000 1.049 500 K CA 2.023 58.313 56.287 0.005 0.000 0.929 500 K CB -1.379 31.123 32.500 0.004 0.000 0.714 500 K HN 0.779 nan 8.250 nan 0.000 0.440 501 N N -0.314 118.406 118.700 0.035 0.000 2.270 501 N HA -0.031 4.709 4.740 0.001 0.000 0.181 501 N C 1.774 177.371 175.510 0.145 0.000 1.016 501 N CA 0.871 53.961 53.050 0.066 0.000 0.870 501 N CB -0.029 38.512 38.487 0.091 0.000 0.979 501 N HN 0.300 nan 8.380 nan 0.000 0.431 502 L N 0.943 122.233 121.223 0.112 0.000 2.093 502 L HA -0.064 4.277 4.340 0.001 0.000 0.208 502 L C 2.029 178.966 176.870 0.111 0.000 1.085 502 L CA 1.434 56.340 54.840 0.109 0.000 0.755 502 L CB -0.558 41.454 42.059 -0.078 0.000 0.904 502 L HN 0.102 nan 8.230 nan 0.000 0.435 503 S N -0.813 114.909 115.700 0.037 0.000 2.474 503 S HA -0.139 4.332 4.470 0.001 0.000 0.235 503 S C 2.201 176.803 174.600 0.004 0.000 0.997 503 S CA 1.057 59.263 58.200 0.011 0.000 0.949 503 S CB -0.962 62.231 63.200 -0.012 0.000 0.766 503 S HN 0.565 nan 8.310 nan 0.000 0.517 504 K N 1.403 121.791 120.400 -0.021 0.000 2.074 504 K HA 0.048 4.368 4.320 0.001 0.000 0.209 504 K C 0.633 177.111 176.600 -0.203 0.000 1.048 504 K CA 1.190 57.381 56.287 -0.161 0.000 0.926 504 K CB -1.421 30.902 32.500 -0.296 0.000 0.713 504 K HN 0.578 nan 8.250 nan 0.000 0.444 505 F N 1.066 120.975 119.950 -0.069 0.000 2.472 505 F HA 0.357 4.884 4.527 0.001 0.000 0.364 505 F C 2.050 177.808 175.800 -0.069 0.000 1.090 505 F CA 0.114 58.072 58.000 -0.069 0.000 1.188 505 F CB 0.750 39.694 39.000 -0.093 0.000 1.105 505 F HN 0.486 nan 8.300 nan 0.000 0.536 506 E N 2.814 123.070 120.200 0.094 0.000 2.058 506 E HA -0.226 4.124 4.350 0.001 0.000 0.194 506 E C 0.928 177.559 176.600 0.051 0.000 0.997 506 E CA 1.492 57.921 56.400 0.050 0.000 0.801 506 E CB -0.373 29.344 29.700 0.029 0.000 0.746 506 E HN 0.554 nan 8.360 nan 0.000 0.450 507 N N 0.423 119.167 118.700 0.073 0.000 2.444 507 N HA 0.045 4.786 4.740 0.001 0.000 0.271 507 N C 0.946 176.442 175.510 -0.023 0.000 1.069 507 N CA 0.485 53.552 53.050 0.029 0.000 0.965 507 N CB 1.531 40.038 38.487 0.033 0.000 1.092 507 N HN 0.531 nan 8.380 nan 0.000 0.476 508 Q N 2.749 122.502 119.800 -0.078 0.000 2.311 508 Q HA -0.014 4.326 4.340 0.001 0.000 0.203 508 Q C 0.395 176.233 176.000 -0.270 0.000 0.954 508 Q CA 0.971 56.633 55.803 -0.234 0.000 0.885 508 Q CB 0.177 28.761 28.738 -0.256 0.000 0.963 508 Q HN 0.469 nan 8.270 nan 0.000 0.471 509 E N 1.191 121.351 120.200 -0.066 0.000 2.072 509 E HA -0.180 4.171 4.350 0.001 0.000 0.191 509 E C 2.143 178.694 176.600 -0.081 0.000 0.985 509 E CA 1.778 58.192 56.400 0.023 0.000 0.801 509 E CB -0.316 29.417 29.700 0.056 0.000 0.750 509 E HN 0.747 nan 8.360 nan 0.000 0.452 510 E N 0.739 120.853 120.200 -0.143 0.000 2.409 510 E HA -0.003 4.348 4.350 0.001 0.000 0.198 510 E C 2.010 178.233 176.600 -0.628 0.000 1.024 510 E CA 1.117 57.390 56.400 -0.210 0.000 0.861 510 E CB -0.793 28.875 29.700 -0.055 0.000 0.788 510 E HN 0.335 nan 8.360 nan 0.000 0.521 511 G N -1.096 107.210 108.800 -0.824 0.000 2.490 511 G HA2 0.075 4.035 3.960 0.001 0.000 0.211 511 G HA3 0.075 4.035 3.960 0.001 0.000 0.211 511 G C 1.533 176.077 174.900 -0.594 0.000 1.159 511 G CA 0.519 44.841 45.100 -1.297 0.000 0.819 511 G HN 0.476 nan 8.290 nan 0.000 0.539 512 F N 1.695 121.470 119.950 -0.293 0.000 2.186 512 F HA 0.006 4.534 4.527 0.001 0.000 0.299 512 F C 3.097 178.810 175.800 -0.144 0.000 1.090 512 F CA 0.496 58.398 58.000 -0.163 0.000 1.307 512 F CB 0.184 39.124 39.000 -0.101 0.000 1.019 512 F HN 0.242 nan 8.300 nan 0.000 0.489 513 A N -0.056 122.778 122.820 0.023 0.000 1.877 513 A HA -0.258 4.063 4.320 0.001 0.000 0.216 513 A C 1.941 179.493 177.584 -0.054 0.000 1.186 513 A CA 2.145 54.171 52.037 -0.018 0.000 0.620 513 A CB -0.651 18.326 19.000 -0.039 0.000 0.822 513 A HN 0.366 nan 8.150 nan 0.000 0.443 514 E N -0.158 119.946 120.200 -0.160 0.000 2.086 514 E HA 0.060 4.410 4.350 0.001 0.000 0.190 514 E C 1.462 178.039 176.600 -0.039 0.000 0.975 514 E CA 0.625 56.957 56.400 -0.113 0.000 0.813 514 E CB -0.231 29.351 29.700 -0.197 0.000 0.768 514 E HN 0.524 nan 8.360 nan 0.000 0.457 515 L N 0.377 121.561 121.223 -0.066 0.000 2.627 515 L HA 0.282 4.623 4.340 0.001 0.000 0.232 515 L C 1.953 178.851 176.870 0.047 0.000 1.150 515 L CA 0.224 55.076 54.840 0.021 0.000 0.917 515 L CB -0.258 41.820 42.059 0.031 0.000 1.104 515 L HN 0.172 nan 8.230 nan 0.000 0.445 516 A N 1.036 123.879 122.820 0.038 0.000 1.873 516 A HA -0.279 4.041 4.320 0.001 0.000 0.218 516 A C 2.621 180.234 177.584 0.048 0.000 1.193 516 A CA 2.078 54.145 52.037 0.050 0.000 0.629 516 A CB -0.577 18.443 19.000 0.033 0.000 0.826 516 A HN 0.429 nan 8.150 nan 0.000 0.447 517 A N -0.046 122.800 122.820 0.042 0.000 1.908 517 A HA -0.236 4.085 4.320 0.001 0.000 0.218 517 A C 1.747 179.361 177.584 0.050 0.000 1.181 517 A CA 1.961 54.024 52.037 0.043 0.000 0.627 517 A CB -0.647 18.376 19.000 0.039 0.000 0.818 517 A HN 0.561 nan 8.150 nan 0.000 0.445 518 D N 0.011 120.442 120.400 0.052 0.000 2.144 518 D HA -0.084 4.556 4.640 0.001 0.000 0.200 518 D C 1.967 178.303 176.300 0.059 0.000 0.978 518 D CA 1.114 55.146 54.000 0.053 0.000 0.833 518 D CB -0.291 40.541 40.800 0.053 0.000 0.961 518 D HN 0.507 nan 8.370 nan 0.000 0.470 519 L N 0.604 121.868 121.223 0.069 0.000 2.027 519 L HA -0.119 4.221 4.340 0.001 0.000 0.206 519 L C 2.659 179.570 176.870 0.067 0.000 1.074 519 L CA 0.561 55.447 54.840 0.077 0.000 0.745 519 L CB -0.642 41.477 42.059 0.100 0.000 0.898 519 L HN -0.109 nan 8.230 nan 0.000 0.433 520 V N -0.007 119.942 119.914 0.059 0.000 2.324 520 V HA -0.337 3.783 4.120 0.001 0.000 0.250 520 V C 2.461 178.598 176.094 0.072 0.000 1.060 520 V CA 2.142 64.479 62.300 0.060 0.000 1.042 520 V CB -0.608 31.247 31.823 0.052 0.000 0.650 520 V HN 0.472 nan 8.190 nan 0.000 0.450 521 E N -0.178 120.063 120.200 0.068 0.000 2.110 521 E HA -0.190 4.161 4.350 0.001 0.000 0.193 521 E C 2.279 178.912 176.600 0.055 0.000 0.988 521 E CA 1.230 57.670 56.400 0.067 0.000 0.804 521 E CB -0.217 29.519 29.700 0.060 0.000 0.745 521 E HN 0.608 nan 8.360 nan 0.000 0.458 522 A N 0.971 123.827 122.820 0.060 0.000 1.897 522 A HA -0.034 4.287 4.320 0.001 0.000 0.215 522 A C 2.354 180.004 177.584 0.110 0.000 1.181 522 A CA 1.451 53.528 52.037 0.067 0.000 0.620 522 A CB -0.644 18.394 19.000 0.065 0.000 0.821 522 A HN 0.354 nan 8.150 nan 0.000 0.443 523 A N -0.394 122.493 122.820 0.113 0.000 1.892 523 A HA -0.081 4.239 4.320 0.001 0.000 0.218 523 A C 2.248 179.939 177.584 0.178 0.000 1.188 523 A CA 2.000 54.129 52.037 0.153 0.000 0.631 523 A CB -1.047 18.023 19.000 0.117 0.000 0.822 523 A HN 0.396 nan 8.150 nan 0.000 0.447 524 V N -0.249 119.737 119.914 0.119 0.000 2.295 524 V HA -0.258 3.863 4.120 0.001 0.000 0.246 524 V C 3.077 179.220 176.094 0.081 0.000 1.049 524 V CA 2.000 64.359 62.300 0.098 0.000 1.024 524 V CB -1.236 30.635 31.823 0.080 0.000 0.648 524 V HN 0.641 nan 8.190 nan 0.000 0.447 525 A N -0.571 122.279 122.820 0.050 0.000 1.940 525 A HA -0.336 3.985 4.320 0.001 0.000 0.219 525 A C 2.083 179.747 177.584 0.133 0.000 1.176 525 A CA 2.462 54.520 52.037 0.035 0.000 0.631 525 A CB -0.878 18.100 19.000 -0.037 0.000 0.814 525 A HN 0.788 nan 8.150 nan 0.000 0.446 526 H N -0.813 118.313 119.070 0.094 0.000 2.389 526 H HA -0.129 4.427 4.556 0.001 0.000 0.299 526 H C 1.941 177.336 175.328 0.112 0.000 1.081 526 H CA 2.104 58.231 56.048 0.132 0.000 1.345 526 H CB -0.467 29.417 29.762 0.202 0.000 1.393 526 H HN 0.465 nan 8.280 nan 0.000 0.520 527 C N 0.414 119.729 119.300 0.026 0.000 2.476 527 C HA -0.072 4.389 4.460 0.001 0.000 0.278 527 C C 2.603 177.593 174.990 0.000 0.000 1.274 527 C CA 0.790 59.791 59.018 -0.028 0.000 1.713 527 C CB -0.830 26.949 27.740 0.065 0.000 2.039 527 C HN 0.665 nan 8.230 nan 0.000 0.484 528 Q N 0.616 120.469 119.800 0.089 0.000 2.133 528 Q HA -0.273 4.068 4.340 0.001 0.000 0.208 528 Q C 2.189 178.197 176.000 0.012 0.000 0.991 528 Q CA 1.705 57.598 55.803 0.150 0.000 0.867 528 Q CB -0.472 28.390 28.738 0.208 0.000 0.911 528 Q HN 0.667 nan 8.270 nan 0.000 0.417 529 L N 0.645 121.870 121.223 0.003 0.000 2.012 529 L HA -0.183 4.157 4.340 0.001 0.000 0.210 529 L C 1.965 178.718 176.870 -0.195 0.000 1.073 529 L CA 1.653 56.435 54.840 -0.098 0.000 0.748 529 L CB -0.396 41.584 42.059 -0.132 0.000 0.891 529 L HN 0.183 nan 8.230 nan 0.000 0.431 530 I N -1.359 119.070 120.570 -0.234 0.000 2.142 530 I HA -0.300 3.870 4.170 0.001 0.000 0.240 530 I C 2.376 178.369 176.117 -0.206 0.000 1.078 530 I CA 1.543 62.685 61.300 -0.263 0.000 1.343 530 I CB -0.528 37.304 38.000 -0.279 0.000 1.046 530 I HN 0.123 nan 8.210 nan 0.000 0.405 531 V N 0.515 120.372 119.914 -0.095 0.000 2.231 531 V HA -0.315 3.805 4.120 0.001 0.000 0.250 531 V C 2.446 178.560 176.094 0.033 0.000 1.058 531 V CA 2.069 64.365 62.300 -0.006 0.000 1.022 531 V CB -0.866 31.025 31.823 0.113 0.000 0.640 531 V HN 0.256 nan 8.190 nan 0.000 0.445 532 V N 1.123 121.040 119.914 0.005 0.000 2.252 532 V HA -0.295 3.826 4.120 0.001 0.000 0.249 532 V C 2.783 178.862 176.094 -0.025 0.000 1.056 532 V CA 2.710 64.982 62.300 -0.047 0.000 1.022 532 V CB -0.981 30.577 31.823 -0.442 0.000 0.641 532 V HN 0.800 nan 8.190 nan 0.000 0.445 533 S N 0.649 116.288 115.700 -0.101 0.000 2.383 533 S HA -0.190 4.280 4.470 0.001 0.000 0.227 533 S C 2.158 176.694 174.600 -0.106 0.000 1.026 533 S CA 1.711 59.855 58.200 -0.093 0.000 0.981 533 S CB -0.593 62.531 63.200 -0.128 0.000 0.818 533 S HN 0.630 nan 8.310 nan 0.000 0.472 534 K N 0.712 121.004 120.400 -0.181 0.000 2.148 534 K HA 0.036 4.357 4.320 0.001 0.000 0.204 534 K C 1.859 178.409 176.600 -0.084 0.000 1.050 534 K CA 1.265 57.396 56.287 -0.260 0.000 0.942 534 K CB -1.601 30.622 32.500 -0.462 0.000 0.724 534 K HN 0.708 nan 8.250 nan 0.000 0.446 535 Y N 0.221 120.473 120.300 -0.080 0.000 2.163 535 Y HA -0.104 4.447 4.550 0.001 0.000 0.288 535 Y C 2.269 178.140 175.900 -0.049 0.000 1.136 535 Y CA 1.492 59.591 58.100 -0.002 0.000 1.147 535 Y CB 0.002 38.493 38.460 0.051 0.000 0.987 535 Y HN 0.163 nan 8.280 nan 0.000 0.509 536 I N 0.512 121.204 120.570 0.203 0.000 2.118 536 I HA -0.390 3.781 4.170 0.001 0.000 0.241 536 I C 2.792 178.926 176.117 0.028 0.000 1.070 536 I CA 1.918 63.271 61.300 0.089 0.000 1.327 536 I CB -0.929 37.089 38.000 0.030 0.000 1.034 536 I HN 0.468 nan 8.210 nan 0.000 0.405 537 E N 1.148 121.331 120.200 -0.028 0.000 2.085 537 E HA -0.349 4.002 4.350 0.001 0.000 0.194 537 E C 2.024 178.562 176.600 -0.105 0.000 0.994 537 E CA 1.928 58.282 56.400 -0.077 0.000 0.801 537 E CB -0.713 28.913 29.700 -0.123 0.000 0.743 537 E HN 0.436 nan 8.360 nan 0.000 0.453 538 K N 0.188 120.502 120.400 -0.144 0.000 2.113 538 K HA -0.039 4.282 4.320 0.001 0.000 0.208 538 K C 1.886 178.361 176.600 -0.209 0.000 1.047 538 K CA 1.533 57.663 56.287 -0.261 0.000 0.928 538 K CB -0.530 31.655 32.500 -0.524 0.000 0.716 538 K HN 0.439 nan 8.250 nan 0.000 0.446 539 L N 0.368 121.538 121.223 -0.089 0.000 2.622 539 L HA -0.026 4.315 4.340 0.001 0.000 0.233 539 L C 1.933 178.776 176.870 -0.044 0.000 1.156 539 L CA 0.527 55.343 54.840 -0.040 0.000 0.866 539 L CB -0.198 41.887 42.059 0.043 0.000 0.980 539 L HN 0.289 nan 8.230 nan 0.000 0.448 540 Q N -0.772 118.994 119.800 -0.057 0.000 2.402 540 Q HA 0.018 4.359 4.340 0.001 0.000 0.206 540 Q C 0.652 176.618 176.000 -0.057 0.000 0.919 540 Q CA 0.125 55.900 55.803 -0.048 0.000 0.923 540 Q CB 0.394 29.104 28.738 -0.046 0.000 1.048 540 Q HN 0.511 nan 8.270 nan 0.000 0.515 541 Q N -0.330 119.422 119.800 -0.081 0.000 2.722 541 Q HA -0.052 4.288 4.340 0.001 0.000 0.214 541 Q C 0.519 176.484 176.000 -0.059 0.000 1.109 541 Q CA 0.143 55.898 55.803 -0.079 0.000 1.066 541 Q CB 0.339 29.011 28.738 -0.110 0.000 1.290 541 Q HN 0.167 nan 8.270 nan 0.000 0.620 542 N N 0.062 118.733 118.700 -0.048 0.000 2.022 542 N HA -0.112 4.629 4.740 0.001 0.000 0.194 542 N C -0.429 175.064 175.510 -0.029 0.000 1.057 542 N CA 0.827 53.858 53.050 -0.031 0.000 0.849 542 N CB -0.046 38.428 38.487 -0.022 0.000 1.044 542 N HN 0.528 nan 8.380 nan 0.000 0.424 543 I N 0.222 120.774 120.570 -0.031 0.000 7.450 543 I HA -0.223 3.948 4.170 0.001 0.000 0.126 543 I C -2.384 173.731 176.117 -0.003 0.000 1.700 543 I CA -0.726 60.561 61.300 -0.021 0.000 2.278 543 I CB -1.425 36.550 38.000 -0.040 0.000 3.393 543 I HN 0.257 nan 8.210 nan 0.000 0.236 544 P HA 0.576 nan 4.420 nan 0.000 0.277 544 P C 0.360 177.674 177.300 0.022 0.000 1.271 544 P CA 0.475 63.582 63.100 0.011 0.000 0.795 544 P CB 1.014 32.720 31.700 0.010 0.000 1.101 545 G N -1.834 106.981 108.800 0.025 0.000 3.355 545 G HA2 0.363 4.323 3.960 0.001 0.000 0.686 545 G HA3 0.363 4.323 3.960 0.001 0.000 0.686 545 G C 0.390 175.322 174.900 0.053 0.000 1.097 545 G CA 0.348 45.471 45.100 0.038 0.000 0.881 545 G HN 0.612 nan 8.290 nan 0.000 0.550 546 K N 0.254 120.684 120.400 0.050 0.000 2.469 546 K HA -0.072 4.249 4.320 0.001 0.000 0.109 546 K C 2.656 179.297 176.600 0.067 0.000 0.764 546 K CA 3.130 59.451 56.287 0.057 0.000 0.784 546 K CB -1.241 31.296 32.500 0.062 0.000 0.350 546 K HN 2.564 nan 8.250 nan 0.000 1.042 547 G N -0.722 108.144 108.800 0.111 0.000 3.609 547 G HA2 0.387 4.347 3.960 0.001 0.000 0.280 547 G HA3 0.387 4.347 3.960 0.001 0.000 0.280 547 G C 1.276 176.210 174.900 0.056 0.000 1.155 547 G CA 0.665 45.817 45.100 0.088 0.000 0.876 547 G HN 0.605 nan 8.290 nan 0.000 0.535 548 V N 0.412 120.363 119.914 0.061 0.000 2.343 548 V HA -0.158 3.962 4.120 0.001 0.000 0.247 548 V C 2.777 178.845 176.094 -0.043 0.000 1.051 548 V CA 2.294 64.600 62.300 0.009 0.000 1.036 548 V CB -0.126 31.737 31.823 0.067 0.000 0.654 548 V HN 0.482 nan 8.190 nan 0.000 0.451 549 K N -0.521 119.870 120.400 -0.014 0.000 2.057 549 K HA -0.242 4.079 4.320 0.001 0.000 0.206 549 K C 2.253 178.834 176.600 -0.031 0.000 1.050 549 K CA 1.596 57.873 56.287 -0.017 0.000 0.935 549 K CB -0.115 32.378 32.500 -0.011 0.000 0.715 549 K HN 0.358 nan 8.250 nan 0.000 0.439 550 Q N 0.513 120.293 119.800 -0.034 0.000 2.112 550 Q HA -0.209 4.132 4.340 0.001 0.000 0.206 550 Q C 2.041 177.991 176.000 -0.084 0.000 0.987 550 Q CA 1.776 57.553 55.803 -0.042 0.000 0.858 550 Q CB 0.008 28.733 28.738 -0.022 0.000 0.905 550 Q HN 0.278 nan 8.270 nan 0.000 0.420 551 Q N -0.479 119.234 119.800 -0.145 0.000 2.167 551 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 551 Q C 2.111 177.970 176.000 -0.235 0.000 0.970 551 Q CA 1.011 56.656 55.803 -0.264 0.000 0.855 551 Q CB -0.064 28.346 28.738 -0.547 0.000 0.911 551 Q HN 0.459 nan 8.270 nan 0.000 0.438 552 L N 0.138 121.284 121.223 -0.129 0.000 2.156 552 L HA -0.144 4.197 4.340 0.001 0.000 0.208 552 L C 2.134 179.011 176.870 0.012 0.000 1.095 552 L CA 0.857 55.704 54.840 0.013 0.000 0.770 552 L CB -0.234 41.929 42.059 0.173 0.000 0.914 552 L HN 0.169 nan 8.230 nan 0.000 0.439 553 E N -0.171 120.008 120.200 -0.035 0.000 2.047 553 E HA -0.178 4.173 4.350 0.001 0.000 0.191 553 E C 2.291 178.833 176.600 -0.097 0.000 0.987 553 E CA 1.331 57.696 56.400 -0.059 0.000 0.799 553 E CB -0.113 29.563 29.700 -0.040 0.000 0.752 553 E HN 0.192 nan 8.360 nan 0.000 0.449 554 V N 1.524 121.378 119.914 -0.100 0.000 2.250 554 V HA -0.313 3.807 4.120 0.001 0.000 0.250 554 V C 2.348 178.368 176.094 -0.124 0.000 1.060 554 V CA 1.760 63.995 62.300 -0.108 0.000 1.030 554 V CB -0.539 31.207 31.823 -0.128 0.000 0.643 554 V HN 0.290 nan 8.190 nan 0.000 0.445 555 L N -0.888 120.244 121.223 -0.151 0.000 2.093 555 L HA -0.217 4.123 4.340 0.001 0.000 0.208 555 L C 2.651 179.418 176.870 -0.171 0.000 1.085 555 L CA 1.660 56.421 54.840 -0.132 0.000 0.755 555 L CB -0.538 41.437 42.059 -0.140 0.000 0.904 555 L HN 0.538 nan 8.230 nan 0.000 0.435 556 C N 0.108 119.198 119.300 -0.350 0.000 2.453 556 C HA -0.061 4.400 4.460 0.001 0.000 0.277 556 C C 2.927 177.768 174.990 -0.249 0.000 1.262 556 C CA 0.817 59.453 59.018 -0.636 0.000 1.718 556 C CB -1.221 26.026 27.740 -0.821 0.000 2.031 556 C HN 0.659 nan 8.230 nan 0.000 0.480 557 G N 0.947 109.660 108.800 -0.146 0.000 2.513 557 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 557 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 557 G C 1.503 176.381 174.900 -0.036 0.000 1.160 557 G CA 1.482 46.546 45.100 -0.060 0.000 0.767 557 G HN 0.618 nan 8.290 nan 0.000 0.571 558 I N -0.813 119.739 120.570 -0.030 0.000 2.099 558 I HA -0.218 3.953 4.170 0.001 0.000 0.239 558 I C 2.458 178.652 176.117 0.128 0.000 1.066 558 I CA 1.666 62.992 61.300 0.043 0.000 1.324 558 I CB -0.480 37.571 38.000 0.086 0.000 1.037 558 I HN 0.229 nan 8.210 nan 0.000 0.401 559 Y N 2.220 122.526 120.300 0.010 0.000 2.081 559 Y HA -0.381 4.169 4.550 0.001 0.000 0.280 559 Y C 2.952 178.929 175.900 0.130 0.000 1.163 559 Y CA 2.074 60.213 58.100 0.065 0.000 1.135 559 Y CB -0.592 37.868 38.460 0.001 0.000 0.970 559 Y HN 0.315 nan 8.280 nan 0.000 0.498 560 S N -0.076 115.588 115.700 -0.060 0.000 2.345 560 S HA -0.203 4.268 4.470 0.001 0.000 0.220 560 S C 2.090 176.729 174.600 0.065 0.000 1.031 560 S CA 1.624 59.789 58.200 -0.059 0.000 0.996 560 S CB -1.154 62.043 63.200 -0.006 0.000 0.882 560 S HN 0.506 nan 8.310 nan 0.000 0.445 561 L N -0.099 121.126 121.223 0.004 0.000 2.093 561 L HA 0.042 4.383 4.340 0.001 0.000 0.208 561 L C 2.540 179.387 176.870 -0.039 0.000 1.085 561 L CA 1.571 56.355 54.840 -0.094 0.000 0.755 561 L CB -0.702 41.272 42.059 -0.141 0.000 0.904 561 L HN 0.289 nan 8.230 nan 0.000 0.435 562 F N 0.962 120.880 119.950 -0.053 0.000 2.091 562 F HA -0.295 4.233 4.527 0.001 0.000 0.299 562 F C 2.364 178.209 175.800 0.074 0.000 1.103 562 F CA 1.632 59.652 58.000 0.033 0.000 1.228 562 F CB -0.051 39.000 39.000 0.086 0.000 0.984 562 F HN -0.106 nan 8.300 nan 0.000 0.477 563 I N 0.239 120.840 120.570 0.053 0.000 2.394 563 I HA -0.243 3.927 4.170 0.001 0.000 0.251 563 I C 2.505 178.708 176.117 0.144 0.000 1.136 563 I CA 1.115 62.486 61.300 0.119 0.000 1.425 563 I CB -1.346 36.739 38.000 0.141 0.000 1.079 563 I HN 0.331 nan 8.210 nan 0.000 0.425 564 L N -0.069 121.140 121.223 -0.023 0.000 2.017 564 L HA -0.289 4.052 4.340 0.001 0.000 0.208 564 L C 2.734 179.454 176.870 -0.250 0.000 1.073 564 L CA 1.531 56.123 54.840 -0.414 0.000 0.745 564 L CB -0.452 41.126 42.059 -0.802 0.000 0.894 564 L HN 0.233 nan 8.230 nan 0.000 0.432 565 H N -0.000 118.882 119.070 -0.313 0.000 2.319 565 H HA -0.243 4.314 4.556 0.001 0.000 0.299 565 H C 2.305 177.491 175.328 -0.237 0.000 1.092 565 H CA 2.224 58.107 56.048 -0.276 0.000 1.302 565 H CB 0.078 29.667 29.762 -0.289 0.000 1.373 565 H HN 0.158 nan 8.280 nan 0.000 0.497 566 K N -0.529 119.681 120.400 -0.318 0.000 2.057 566 K HA -0.119 4.202 4.320 0.001 0.000 0.206 566 K C 0.478 176.862 176.600 -0.360 0.000 1.050 566 K CA 1.340 57.393 56.287 -0.389 0.000 0.935 566 K CB 0.039 32.267 32.500 -0.453 0.000 0.715 566 K HN 0.583 nan 8.250 nan 0.000 0.439 567 H N 0.006 119.031 119.070 -0.076 0.000 2.524 567 H HA 0.052 4.609 4.556 0.001 0.000 0.297 567 H C 0.966 176.313 175.328 0.032 0.000 1.115 567 H CA -0.177 55.856 56.048 -0.025 0.000 1.027 567 H CB 0.769 30.529 29.762 -0.003 0.000 1.591 567 H HN 0.357 nan 8.280 nan 0.000 0.543 568 Q N 1.038 120.863 119.800 0.041 0.000 2.173 568 Q HA -0.146 4.194 4.340 0.001 0.000 0.208 568 Q C 2.295 178.354 176.000 0.098 0.000 0.989 568 Q CA 1.587 57.433 55.803 0.072 0.000 0.872 568 Q CB -0.040 28.606 28.738 -0.153 0.000 0.909 568 Q HN 0.634 nan 8.270 nan 0.000 0.420 569 G N 0.810 109.616 108.800 0.010 0.000 2.476 569 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 569 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 569 G C 0.901 175.790 174.900 -0.018 0.000 1.164 569 G CA 1.192 46.290 45.100 -0.004 0.000 0.768 569 G HN 0.411 nan 8.290 nan 0.000 0.560 570 D N 0.365 120.717 120.400 -0.080 0.000 2.190 570 D HA -0.087 4.554 4.640 0.001 0.000 0.200 570 D C 2.078 178.164 176.300 -0.357 0.000 0.992 570 D CA 0.820 54.665 54.000 -0.257 0.000 0.854 570 D CB -0.295 40.252 40.800 -0.423 0.000 0.936 570 D HN 0.469 nan 8.370 nan 0.000 0.462 571 F N 0.128 120.042 119.950 -0.060 0.000 2.220 571 F HA 0.135 4.663 4.527 0.001 0.000 0.290 571 F C 2.659 178.481 175.800 0.036 0.000 1.080 571 F CA 0.461 58.448 58.000 -0.021 0.000 1.318 571 F CB -0.720 38.237 39.000 -0.072 0.000 1.063 571 F HN -0.054 nan 8.300 nan 0.000 0.498 572 L N -0.407 120.927 121.223 0.185 0.000 2.591 572 L HA 0.491 4.832 4.340 0.001 0.000 0.228 572 L C 1.932 178.843 176.870 0.069 0.000 1.133 572 L CA 1.492 56.400 54.840 0.114 0.000 0.880 572 L CB -1.632 40.467 42.059 0.067 0.000 1.033 572 L HN 0.312 nan 8.230 nan 0.000 0.450 573 G N -1.899 106.932 108.800 0.051 0.000 3.228 573 G HA2 0.174 4.135 3.960 0.001 0.000 0.245 573 G HA3 0.174 4.135 3.960 0.001 0.000 0.245 573 G C 1.408 176.325 174.900 0.027 0.000 1.051 573 G CA 1.216 46.332 45.100 0.028 0.000 0.809 573 G HN 0.536 nan 8.290 nan 0.000 0.531 574 T N -3.311 111.268 114.554 0.043 0.000 3.054 574 T HA 0.379 4.730 4.350 0.001 0.000 0.259 574 T C 1.922 176.669 174.700 0.078 0.000 1.092 574 T CA 1.241 63.370 62.100 0.048 0.000 1.121 574 T CB 0.327 69.216 68.868 0.035 0.000 0.912 574 T HN 1.125 nan 8.240 nan 0.000 0.489 575 G N -0.140 108.718 108.800 0.097 0.000 2.253 575 G HA2 -0.295 3.666 3.960 0.001 0.000 0.209 575 G HA3 -0.295 3.666 3.960 0.001 0.000 0.209 575 G C 0.501 175.463 174.900 0.103 0.000 0.997 575 G CA 0.272 45.420 45.100 0.080 0.000 0.640 575 G HN 0.403 nan 8.290 nan 0.000 0.496 576 Y N 0.936 121.273 120.300 0.062 0.000 2.128 576 Y HA 0.236 4.787 4.550 0.001 0.000 0.284 576 Y C 1.247 177.227 175.900 0.132 0.000 1.154 576 Y CA 1.600 59.758 58.100 0.097 0.000 1.149 576 Y CB 0.120 38.658 38.460 0.130 0.000 0.976 576 Y HN 0.196 nan 8.280 nan 0.000 0.505 577 I N 0.913 121.579 120.570 0.161 0.000 2.392 577 I HA 0.139 4.310 4.170 0.001 0.000 0.295 577 I C 0.440 176.592 176.117 0.057 0.000 0.985 577 I CA -0.744 60.621 61.300 0.109 0.000 1.221 577 I CB 0.951 39.060 38.000 0.181 0.000 1.366 577 I HN 0.099 nan 8.210 nan 0.000 0.467 578 T N 1.432 116.008 114.554 0.036 0.000 2.918 578 T HA 0.288 4.639 4.350 0.001 0.000 0.283 578 T C 1.365 176.090 174.700 0.041 0.000 1.001 578 T CA -0.021 62.095 62.100 0.027 0.000 1.041 578 T CB 0.972 69.845 68.868 0.009 0.000 1.028 578 T HN 0.625 nan 8.240 nan 0.000 0.511 579 S N 1.477 117.194 115.700 0.029 0.000 2.359 579 S HA -0.183 4.288 4.470 0.001 0.000 0.223 579 S C 2.405 177.026 174.600 0.035 0.000 1.039 579 S CA 1.540 59.755 58.200 0.025 0.000 1.042 579 S CB -1.520 61.690 63.200 0.017 0.000 0.915 579 S HN 1.127 nan 8.310 nan 0.000 0.439 580 K N 1.101 121.524 120.400 0.038 0.000 2.103 580 K HA -0.115 4.205 4.320 0.001 0.000 0.207 580 K C 2.193 178.845 176.600 0.087 0.000 1.048 580 K CA 1.797 58.112 56.287 0.047 0.000 0.930 580 K CB -1.341 31.179 32.500 0.034 0.000 0.716 580 K HN 0.779 nan 8.250 nan 0.000 0.444 581 Q N -0.869 119.002 119.800 0.119 0.000 2.020 581 Q HA -0.031 4.310 4.340 0.001 0.000 0.202 581 Q C 2.632 178.767 176.000 0.226 0.000 0.982 581 Q CA 1.339 57.298 55.803 0.259 0.000 0.838 581 Q CB -0.303 28.611 28.738 0.295 0.000 0.899 581 Q HN 0.648 nan 8.270 nan 0.000 0.423 582 G N 0.009 108.845 108.800 0.060 0.000 2.448 582 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 582 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 582 G C 1.444 176.316 174.900 -0.048 0.000 1.127 582 G CA 0.981 46.025 45.100 -0.093 0.000 0.766 582 G HN 0.331 nan 8.290 nan 0.000 0.552 583 S N -0.322 115.389 115.700 0.018 0.000 2.395 583 S HA 0.100 4.571 4.470 0.001 0.000 0.225 583 S C 2.339 176.957 174.600 0.030 0.000 1.027 583 S CA 0.430 58.645 58.200 0.025 0.000 0.965 583 S CB -0.183 63.036 63.200 0.032 0.000 0.812 583 S HN 0.315 nan 8.310 nan 0.000 0.482 584 L N 1.076 122.353 121.223 0.090 0.000 2.201 584 L HA 0.035 4.375 4.340 0.001 0.000 0.212 584 L C 2.834 179.783 176.870 0.132 0.000 1.105 584 L CA 1.003 55.930 54.840 0.144 0.000 0.775 584 L CB -0.519 41.682 42.059 0.237 0.000 0.913 584 L HN 0.410 nan 8.230 nan 0.000 0.440 585 A N 0.006 122.798 122.820 -0.047 0.000 1.969 585 A HA -0.225 4.095 4.320 0.001 0.000 0.218 585 A C 2.030 179.468 177.584 -0.243 0.000 1.169 585 A CA 1.903 53.687 52.037 -0.423 0.000 0.635 585 A CB -0.572 17.857 19.000 -0.951 0.000 0.810 585 A HN 0.431 nan 8.150 nan 0.000 0.445 586 N N 0.326 118.934 118.700 -0.153 0.000 2.142 586 N HA -0.134 4.607 4.740 0.001 0.000 0.186 586 N C 1.225 176.658 175.510 -0.129 0.000 1.023 586 N CA 1.627 54.575 53.050 -0.170 0.000 0.852 586 N CB -0.210 38.204 38.487 -0.122 0.000 0.998 586 N HN 0.388 nan 8.380 nan 0.000 0.424 587 D N -0.190 120.173 120.400 -0.061 0.000 2.117 587 D HA -0.170 4.471 4.640 0.001 0.000 0.197 587 D C 1.741 178.017 176.300 -0.040 0.000 0.987 587 D CA 0.942 54.924 54.000 -0.031 0.000 0.829 587 D CB -0.260 40.545 40.800 0.008 0.000 0.961 587 D HN 0.356 nan 8.370 nan 0.000 0.460 588 Q N 0.422 120.204 119.800 -0.031 0.000 2.046 588 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 588 Q C 2.068 177.993 176.000 -0.123 0.000 0.975 588 Q CA 0.650 56.435 55.803 -0.030 0.000 0.836 588 Q CB -0.513 28.253 28.738 0.047 0.000 0.896 588 Q HN 0.154 nan 8.270 nan 0.000 0.428 589 L N 0.555 121.660 121.223 -0.197 0.000 2.081 589 L HA -0.197 4.144 4.340 0.001 0.000 0.212 589 L C 2.302 178.858 176.870 -0.522 0.000 1.080 589 L CA 1.905 56.517 54.840 -0.381 0.000 0.754 589 L CB -0.513 41.340 42.059 -0.344 0.000 0.893 589 L HN 0.208 nan 8.230 nan 0.000 0.433 590 R N -1.097 119.258 120.500 -0.240 0.000 2.064 590 R HA -0.132 4.209 4.340 0.001 0.000 0.228 590 R C 2.220 178.498 176.300 -0.036 0.000 1.144 590 R CA 1.354 57.407 56.100 -0.079 0.000 0.932 590 R CB -0.594 29.703 30.300 -0.004 0.000 0.833 590 R HN 0.477 nan 8.270 nan 0.000 0.429 591 A N 1.437 124.235 122.820 -0.037 0.000 1.929 591 A HA -0.244 4.077 4.320 0.001 0.000 0.221 591 A C 2.228 179.800 177.584 -0.019 0.000 1.211 591 A CA 1.791 53.821 52.037 -0.012 0.000 0.657 591 A CB -0.905 18.085 19.000 -0.016 0.000 0.827 591 A HN 0.362 nan 8.150 nan 0.000 0.462 592 L N -2.335 118.824 121.223 -0.105 0.000 2.093 592 L HA -0.205 4.136 4.340 0.001 0.000 0.208 592 L C 2.604 179.482 176.870 0.012 0.000 1.085 592 L CA 1.501 56.281 54.840 -0.100 0.000 0.755 592 L CB -0.627 41.333 42.059 -0.166 0.000 0.904 592 L HN 0.581 nan 8.230 nan 0.000 0.435 593 Y N -0.953 119.428 120.300 0.134 0.000 2.224 593 Y HA -0.242 4.308 4.550 0.001 0.000 0.289 593 Y C 2.901 178.942 175.900 0.235 0.000 1.146 593 Y CA 0.802 59.077 58.100 0.292 0.000 1.182 593 Y CB -0.176 38.465 38.460 0.301 0.000 0.983 593 Y HN 0.118 nan 8.280 nan 0.000 0.524 594 S N -0.258 115.608 115.700 0.277 0.000 2.406 594 S HA -0.184 4.287 4.470 0.001 0.000 0.228 594 S C 1.810 176.477 174.600 0.113 0.000 1.020 594 S CA 1.073 59.381 58.200 0.181 0.000 0.965 594 S CB -0.195 63.075 63.200 0.117 0.000 0.798 594 S HN 0.503 nan 8.310 nan 0.000 0.488 595 Q N 0.453 120.296 119.800 0.073 0.000 2.049 595 Q HA -0.004 4.337 4.340 0.001 0.000 0.198 595 Q C 2.730 178.722 176.000 -0.012 0.000 0.971 595 Q CA 1.642 57.459 55.803 0.022 0.000 0.833 595 Q CB -0.689 28.048 28.738 -0.002 0.000 0.896 595 Q HN 0.578 nan 8.270 nan 0.000 0.434 596 L N 0.945 122.131 121.223 -0.061 0.000 2.083 596 L HA -0.134 4.206 4.340 0.001 0.000 0.209 596 L C 2.465 179.223 176.870 -0.187 0.000 1.083 596 L CA 2.322 57.034 54.840 -0.214 0.000 0.752 596 L CB -1.697 40.084 42.059 -0.464 0.000 0.899 596 L HN 0.232 nan 8.230 nan 0.000 0.433 597 R N 1.046 121.540 120.500 -0.011 0.000 2.189 597 R HA -0.193 4.148 4.340 0.001 0.000 0.252 597 R C 0.158 176.504 176.300 0.076 0.000 1.134 597 R CA 2.765 58.960 56.100 0.158 0.000 0.954 597 R CB -2.045 28.388 30.300 0.223 0.000 0.890 597 R HN 0.550 nan 8.270 nan 0.000 0.443 598 P HA -0.056 nan 4.420 nan 0.000 0.221 598 P C -0.152 177.161 177.300 0.022 0.000 1.150 598 P CA 1.362 64.477 63.100 0.024 0.000 0.800 598 P CB -0.183 31.529 31.700 0.020 0.000 0.787 599 N N -0.284 118.428 118.700 0.020 0.000 2.336 599 N HA 0.105 4.845 4.740 0.001 0.000 0.189 599 N C 1.643 177.169 175.510 0.027 0.000 1.113 599 N CA 0.376 53.486 53.050 0.100 0.000 0.858 599 N CB 0.104 38.698 38.487 0.178 0.000 0.970 599 N HN 0.055 nan 8.380 nan 0.000 0.471 600 A N 1.393 124.180 122.820 -0.055 0.000 1.859 600 A HA -0.156 4.164 4.320 0.001 0.000 0.218 600 A C 2.370 179.951 177.584 -0.005 0.000 1.209 600 A CA 1.576 53.576 52.037 -0.062 0.000 0.639 600 A CB -0.964 18.082 19.000 0.076 0.000 0.835 600 A HN 0.107 nan 8.150 nan 0.000 0.450 601 V N -0.560 119.362 119.914 0.014 0.000 2.626 601 V HA -0.114 4.007 4.120 0.001 0.000 0.252 601 V C 2.460 178.539 176.094 -0.024 0.000 1.067 601 V CA 2.158 64.457 62.300 -0.002 0.000 1.081 601 V CB -0.078 31.738 31.823 -0.012 0.000 0.686 601 V HN 0.607 nan 8.190 nan 0.000 0.468 602 S N -1.507 114.194 115.700 0.002 0.000 2.605 602 S HA 0.235 4.705 4.470 0.001 0.000 0.217 602 S C 1.390 176.100 174.600 0.183 0.000 0.958 602 S CA 0.045 58.253 58.200 0.014 0.000 0.919 602 S CB -0.008 63.126 63.200 -0.111 0.000 0.780 602 S HN 0.509 nan 8.310 nan 0.000 0.507 603 L N 0.471 121.722 121.223 0.048 0.000 2.575 603 L HA 0.167 4.508 4.340 0.001 0.000 0.228 603 L C 2.079 178.683 176.870 -0.443 0.000 1.075 603 L CA 0.347 55.136 54.840 -0.086 0.000 0.867 603 L CB 0.219 42.169 42.059 -0.183 0.000 1.097 603 L HN 0.325 nan 8.230 nan 0.000 0.485 604 V N -3.991 115.670 119.914 -0.422 0.000 2.591 604 V HA -0.107 4.013 4.120 0.001 0.000 0.249 604 V C 1.654 177.316 176.094 -0.720 0.000 1.053 604 V CA 1.358 63.221 62.300 -0.728 0.000 1.068 604 V CB -0.575 31.153 31.823 -0.158 0.000 0.689 604 V HN 0.251 nan 8.190 nan 0.000 0.462 605 D N 1.744 121.952 120.400 -0.319 0.000 2.264 605 D HA 0.008 4.649 4.640 0.001 0.000 0.208 605 D C 2.229 178.385 176.300 -0.241 0.000 0.966 605 D CA 1.571 55.479 54.000 -0.153 0.000 0.864 605 D CB -0.338 40.470 40.800 0.012 0.000 0.933 605 D HN 0.568 nan 8.370 nan 0.000 0.499 606 A N 0.226 122.828 122.820 -0.363 0.000 2.084 606 A HA -0.191 4.130 4.320 0.001 0.000 0.221 606 A C 1.593 178.982 177.584 -0.324 0.000 1.161 606 A CA 0.965 52.852 52.037 -0.250 0.000 0.653 606 A CB -0.763 18.164 19.000 -0.122 0.000 0.802 606 A HN 0.141 nan 8.150 nan 0.000 0.457 607 F N -1.515 118.105 119.950 -0.550 0.000 2.187 607 F HA 0.108 4.636 4.527 0.001 0.000 0.295 607 F C 1.271 176.835 175.800 -0.393 0.000 1.091 607 F CA 0.499 57.944 58.000 -0.925 0.000 1.308 607 F CB -1.026 37.108 39.000 -1.444 0.000 1.030 607 F HN 0.396 nan 8.300 nan 0.000 0.487 608 N N -1.288 117.353 118.700 -0.098 0.000 2.924 608 N HA -0.231 4.510 4.740 0.001 0.000 0.246 608 N C -1.032 174.523 175.510 0.075 0.000 1.120 608 N CA 0.128 53.202 53.050 0.041 0.000 0.691 608 N CB -1.928 36.685 38.487 0.209 0.000 1.036 608 N HN 0.331 nan 8.380 nan 0.000 0.557 609 Y N 0.111 120.557 120.300 0.244 0.000 2.301 609 Y HA 0.342 4.893 4.550 0.001 0.000 0.325 609 Y C 1.703 177.708 175.900 0.175 0.000 1.203 609 Y CA -0.114 58.154 58.100 0.280 0.000 1.255 609 Y CB 0.929 39.621 38.460 0.387 0.000 1.232 609 Y HN 0.223 nan 8.280 nan 0.000 0.501 610 T N -2.459 112.317 114.554 0.370 0.000 2.902 610 T HA 0.137 4.488 4.350 0.001 0.000 0.280 610 T C 0.357 175.214 174.700 0.261 0.000 0.992 610 T CA -0.811 61.418 62.100 0.215 0.000 1.015 610 T CB 1.157 70.106 68.868 0.135 0.000 1.044 610 T HN 0.516 nan 8.240 nan 0.000 0.520 611 D N -0.787 119.727 120.400 0.190 0.000 2.224 611 D HA -0.085 4.556 4.640 0.001 0.000 0.205 611 D C 1.718 178.125 176.300 0.177 0.000 0.965 611 D CA 0.871 54.972 54.000 0.168 0.000 0.852 611 D CB -0.365 40.516 40.800 0.136 0.000 0.947 611 D HN 0.769 nan 8.370 nan 0.000 0.494 612 H N -0.314 118.822 119.070 0.110 0.000 2.321 612 H HA -0.195 4.362 4.556 0.001 0.000 0.300 612 H C 1.866 177.289 175.328 0.160 0.000 1.087 612 H CA 1.309 57.427 56.048 0.116 0.000 1.319 612 H CB -0.451 29.375 29.762 0.107 0.000 1.379 612 H HN 0.169 nan 8.280 nan 0.000 0.501 613 Y N 1.323 121.799 120.300 0.293 0.000 2.109 613 Y HA -0.121 4.430 4.550 0.001 0.000 0.285 613 Y C 3.080 178.981 175.900 0.001 0.000 1.131 613 Y CA 2.432 60.638 58.100 0.177 0.000 1.121 613 Y CB -0.971 37.648 38.460 0.266 0.000 0.987 613 Y HN 0.139 nan 8.280 nan 0.000 0.495 614 L N 0.208 121.380 121.223 -0.084 0.000 2.261 614 L HA 0.115 4.456 4.340 0.001 0.000 0.216 614 L C 2.046 178.825 176.870 -0.152 0.000 1.114 614 L CA 1.581 56.299 54.840 -0.203 0.000 0.777 614 L CB -2.319 39.729 42.059 -0.017 0.000 0.910 614 L HN 0.679 nan 8.230 nan 0.000 0.440 615 G N -1.063 107.684 108.800 -0.087 0.000 2.421 615 G HA2 0.180 4.141 3.960 0.001 0.000 0.300 615 G HA3 0.180 4.141 3.960 0.001 0.000 0.300 615 G C 0.263 175.127 174.900 -0.061 0.000 0.974 615 G CA 1.029 46.080 45.100 -0.081 0.000 1.062 615 G HN 2.290 nan 8.290 nan 0.000 0.514 616 S N -1.543 114.141 115.700 -0.027 0.000 2.789 616 S HA 0.846 5.317 4.470 0.001 0.000 0.286 616 S C 1.205 175.810 174.600 0.008 0.000 1.153 616 S CA 0.140 58.328 58.200 -0.020 0.000 1.084 616 S CB 0.984 64.171 63.200 -0.021 0.000 1.036 616 S HN 1.761 nan 8.310 nan 0.000 0.484 617 I N 1.991 122.562 120.570 0.002 0.000 3.176 617 I HA 0.288 4.459 4.170 0.001 0.000 0.275 617 I C 1.439 177.577 176.117 0.035 0.000 1.298 617 I CA 0.884 62.199 61.300 0.025 0.000 1.445 617 I CB -1.072 36.943 38.000 0.024 0.000 1.075 617 I HN 0.777 nan 8.210 nan 0.000 0.482 618 L N -0.121 121.105 121.223 0.004 0.000 2.607 618 L HA 0.303 4.644 4.340 0.001 0.000 0.228 618 L C 1.746 178.673 176.870 0.094 0.000 1.123 618 L CA 0.952 55.790 54.840 -0.002 0.000 0.890 618 L CB 0.263 42.174 42.059 -0.246 0.000 1.103 618 L HN 0.565 nan 8.230 nan 0.000 0.468 619 G N 0.147 108.993 108.800 0.077 0.000 4.867 619 G HA2 0.238 4.199 3.960 0.001 0.000 0.258 619 G HA3 0.238 4.199 3.960 0.001 0.000 0.258 619 G C 0.045 175.010 174.900 0.108 0.000 0.999 619 G CA -0.527 44.636 45.100 0.105 0.000 0.797 619 G HN 0.051 nan 8.290 nan 0.000 0.505 620 R N -0.523 120.034 120.500 0.095 0.000 2.738 620 R HA 0.143 4.483 4.340 0.001 0.000 0.268 620 R C 0.953 177.335 176.300 0.136 0.000 1.062 620 R CA -0.547 55.619 56.100 0.111 0.000 1.158 620 R CB 0.778 31.123 30.300 0.075 0.000 1.046 620 R HN 0.262 nan 8.270 nan 0.000 0.493 621 Y N 2.325 122.647 120.300 0.036 0.000 2.128 621 Y HA -0.277 4.273 4.550 0.001 0.000 0.284 621 Y C 1.893 177.785 175.900 -0.013 0.000 1.154 621 Y CA 2.402 60.516 58.100 0.023 0.000 1.149 621 Y CB -0.111 38.366 38.460 0.029 0.000 0.976 621 Y HN 0.762 nan 8.280 nan 0.000 0.505 622 D N -1.445 118.925 120.400 -0.049 0.000 2.224 622 D HA -0.023 4.618 4.640 0.001 0.000 0.205 622 D C 1.803 177.966 176.300 -0.228 0.000 0.965 622 D CA 1.195 55.074 54.000 -0.202 0.000 0.852 622 D CB -0.849 39.863 40.800 -0.147 0.000 0.947 622 D HN 0.504 nan 8.370 nan 0.000 0.494 623 G N 1.056 109.789 108.800 -0.112 0.000 2.147 623 G HA2 -0.314 3.646 3.960 0.001 0.000 0.244 623 G HA3 -0.314 3.646 3.960 0.001 0.000 0.244 623 G C 0.256 175.153 174.900 -0.006 0.000 1.005 623 G CA 0.160 45.233 45.100 -0.046 0.000 0.713 623 G HN 0.465 nan 8.290 nan 0.000 0.515 624 N N 0.597 119.250 118.700 -0.079 0.000 3.111 624 N HA 0.326 5.067 4.740 0.001 0.000 0.302 624 N C 1.832 177.372 175.510 0.050 0.000 1.317 624 N CA 0.491 53.546 53.050 0.009 0.000 1.151 624 N CB 0.066 38.504 38.487 -0.081 0.000 1.456 624 N HN 0.225 nan 8.380 nan 0.000 0.547 625 V N 0.429 120.329 119.914 -0.024 0.000 2.295 625 V HA -0.263 3.858 4.120 0.001 0.000 0.246 625 V C 1.434 177.585 176.094 0.095 0.000 1.049 625 V CA 1.694 63.978 62.300 -0.027 0.000 1.024 625 V CB -0.863 30.887 31.823 -0.121 0.000 0.648 625 V HN 0.496 nan 8.190 nan 0.000 0.447 626 Y N 0.045 120.472 120.300 0.212 0.000 2.153 626 Y HA -0.071 4.480 4.550 0.001 0.000 0.289 626 Y C 0.445 176.460 175.900 0.191 0.000 1.127 626 Y CA 0.855 59.074 58.100 0.197 0.000 1.131 626 Y CB -1.865 36.699 38.460 0.173 0.000 0.995 626 Y HN 0.340 nan 8.280 nan 0.000 0.505 627 P HA -0.177 nan 4.420 nan 0.000 0.216 627 P C 1.192 178.652 177.300 0.267 0.000 1.150 627 P CA 1.551 64.813 63.100 0.271 0.000 0.837 627 P CB 0.038 31.860 31.700 0.204 0.000 0.786 628 K N -0.512 120.011 120.400 0.205 0.000 2.063 628 K HA -0.098 4.223 4.320 0.001 0.000 0.208 628 K C 2.311 179.006 176.600 0.157 0.000 1.048 628 K CA 1.578 57.960 56.287 0.157 0.000 0.928 628 K CB -1.782 30.784 32.500 0.110 0.000 0.713 628 K HN 0.153 nan 8.250 nan 0.000 0.442 629 L N 0.282 121.613 121.223 0.180 0.000 2.017 629 L HA -0.165 4.176 4.340 0.001 0.000 0.208 629 L C 2.646 179.603 176.870 0.144 0.000 1.073 629 L CA 2.333 57.253 54.840 0.133 0.000 0.745 629 L CB -1.882 40.260 42.059 0.138 0.000 0.894 629 L HN 0.228 nan 8.230 nan 0.000 0.432 630 Y N 0.427 120.804 120.300 0.129 0.000 2.014 630 Y HA -0.336 4.215 4.550 0.001 0.000 0.272 630 Y C 2.739 178.792 175.900 0.255 0.000 1.164 630 Y CA 2.723 60.919 58.100 0.160 0.000 1.114 630 Y CB -0.177 38.402 38.460 0.199 0.000 0.961 630 Y HN 0.585 nan 8.280 nan 0.000 0.489 631 E N 0.033 120.401 120.200 0.279 0.000 2.299 631 E HA -0.069 4.282 4.350 0.001 0.000 0.193 631 E C 2.016 178.736 176.600 0.200 0.000 0.998 631 E CA 0.700 57.289 56.400 0.315 0.000 0.851 631 E CB -0.157 29.728 29.700 0.308 0.000 0.795 631 E HN 0.566 nan 8.360 nan 0.000 0.492 632 A N 1.118 124.002 122.820 0.106 0.000 2.066 632 A HA 0.075 4.396 4.320 0.001 0.000 0.218 632 A C 2.340 179.903 177.584 -0.034 0.000 1.157 632 A CA 1.215 53.280 52.037 0.046 0.000 0.670 632 A CB -0.415 18.607 19.000 0.036 0.000 0.804 632 A HN 0.362 nan 8.150 nan 0.000 0.453 633 A N -0.966 121.774 122.820 -0.134 0.000 1.933 633 A HA -0.162 4.158 4.320 0.001 0.000 0.218 633 A C 1.809 179.171 177.584 -0.370 0.000 1.175 633 A CA 1.224 53.077 52.037 -0.305 0.000 0.628 633 A CB -0.911 17.804 19.000 -0.475 0.000 0.814 633 A HN 0.760 nan 8.150 nan 0.000 0.444 634 W N 0.249 121.450 121.300 -0.164 0.000 2.721 634 W HA 0.034 4.695 4.660 0.001 0.000 0.245 634 W C 1.915 178.389 176.519 -0.074 0.000 1.276 634 W CA 0.840 58.107 57.345 -0.130 0.000 1.342 634 W CB 0.159 29.530 29.460 -0.150 0.000 1.135 634 W HN 0.248 nan 8.180 nan 0.000 0.654 635 K N 0.219 120.672 120.400 0.089 0.000 2.365 635 K HA -0.002 4.318 4.320 0.001 0.000 0.197 635 K C 0.703 177.308 176.600 0.008 0.000 1.042 635 K CA 0.788 57.106 56.287 0.052 0.000 0.987 635 K CB -0.643 31.878 32.500 0.035 0.000 0.779 635 K HN 0.213 nan 8.250 nan 0.000 0.484 636 D N 3.411 123.786 120.400 -0.042 0.000 2.493 636 D HA -0.012 4.629 4.640 0.001 0.000 0.240 636 D C -1.554 174.724 176.300 -0.037 0.000 1.142 636 D CA -1.213 52.749 54.000 -0.064 0.000 0.872 636 D CB -0.004 40.721 40.800 -0.124 0.000 1.173 636 D HN -0.034 nan 8.370 nan 0.000 0.467 637 P HA -0.026 nan 4.420 nan 0.000 0.239 637 P C 1.332 178.622 177.300 -0.018 0.000 1.184 637 P CA 0.282 63.374 63.100 -0.013 0.000 0.760 637 P CB 0.242 31.933 31.700 -0.014 0.000 0.884 638 L N -0.738 120.462 121.223 -0.039 0.000 2.313 638 L HA 0.011 4.351 4.340 0.001 0.000 0.214 638 L C 1.404 178.259 176.870 -0.025 0.000 1.119 638 L CA 0.891 55.706 54.840 -0.043 0.000 0.809 638 L CB -0.478 41.539 42.059 -0.070 0.000 0.933 638 L HN -0.020 nan 8.230 nan 0.000 0.449 639 N N -1.019 117.674 118.700 -0.012 0.000 2.205 639 N HA -0.006 4.735 4.740 0.001 0.000 0.201 639 N C 1.420 177.026 175.510 0.160 0.000 1.128 639 N CA 0.184 53.285 53.050 0.085 0.000 0.867 639 N CB 0.308 38.817 38.487 0.037 0.000 0.996 639 N HN 0.116 nan 8.380 nan 0.000 0.503 640 K N 0.559 121.010 120.400 0.086 0.000 2.062 640 K HA 0.126 4.446 4.320 0.001 0.000 0.205 640 K C 0.560 177.194 176.600 0.057 0.000 1.051 640 K CA 0.375 56.705 56.287 0.071 0.000 0.941 640 K CB -0.362 32.163 32.500 0.041 0.000 0.719 640 K HN -0.050 nan 8.250 nan 0.000 0.440 641 S N 2.116 117.841 115.700 0.041 0.000 2.549 641 S HA -0.038 4.433 4.470 0.001 0.000 0.279 641 S C 0.975 175.600 174.600 0.041 0.000 1.321 641 S CA -0.303 57.913 58.200 0.026 0.000 1.054 641 S CB 1.110 64.311 63.200 0.002 0.000 0.899 641 S HN 0.256 nan 8.310 nan 0.000 0.497 642 D N 2.841 123.261 120.400 0.033 0.000 2.087 642 D HA -0.083 4.558 4.640 0.001 0.000 0.201 642 D C 0.963 177.282 176.300 0.032 0.000 0.980 642 D CA 0.475 54.499 54.000 0.041 0.000 0.849 642 D CB -0.001 40.821 40.800 0.037 0.000 1.001 642 D HN 0.538 nan 8.370 nan 0.000 0.452 643 I N 0.687 121.262 120.570 0.009 0.000 3.003 643 I HA -0.100 4.071 4.170 0.001 0.000 0.294 643 I C 1.240 177.332 176.117 -0.041 0.000 1.237 643 I CA 0.363 61.644 61.300 -0.031 0.000 1.417 643 I CB 1.112 39.027 38.000 -0.141 0.000 1.340 643 I HN 0.139 nan 8.210 nan 0.000 0.594 644 A N 4.300 127.095 122.820 -0.042 0.000 2.169 644 A HA 0.122 4.442 4.320 0.001 0.000 0.212 644 A C 0.941 178.491 177.584 -0.056 0.000 1.153 644 A CA 1.203 53.223 52.037 -0.029 0.000 0.756 644 A CB -1.215 17.787 19.000 0.002 0.000 0.813 644 A HN 1.284 nan 8.150 nan 0.000 0.471 645 D N -2.545 117.787 120.400 -0.113 0.000 2.956 645 D HA 0.316 4.957 4.640 0.001 0.000 0.240 645 D C 1.526 177.785 176.300 -0.068 0.000 1.141 645 D CA 1.462 55.396 54.000 -0.110 0.000 0.820 645 D CB -1.915 38.842 40.800 -0.073 0.000 0.988 645 D HN 2.075 nan 8.370 nan 0.000 0.417 646 G N -2.972 105.789 108.800 -0.065 0.000 2.901 646 G HA2 0.367 4.328 3.960 0.001 0.000 0.194 646 G HA3 0.367 4.328 3.960 0.001 0.000 0.194 646 G C 1.691 176.603 174.900 0.020 0.000 1.020 646 G CA 1.461 46.552 45.100 -0.015 0.000 0.787 646 G HN 2.071 nan 8.290 nan 0.000 0.477 647 F N 0.996 120.962 119.950 0.028 0.000 2.325 647 F HA 0.193 4.720 4.527 0.001 0.000 0.299 647 F C 2.007 177.888 175.800 0.136 0.000 1.090 647 F CA 2.103 60.144 58.000 0.068 0.000 1.392 647 F CB -1.378 37.661 39.000 0.064 0.000 1.053 647 F HN 0.494 nan 8.300 nan 0.000 0.521 648 H N -0.522 118.552 119.070 0.007 0.000 2.292 648 H HA -0.195 4.362 4.556 0.001 0.000 0.292 648 H C 1.637 176.969 175.328 0.006 0.000 1.100 648 H CA 1.603 57.655 56.048 0.007 0.000 1.238 648 H CB 0.174 29.940 29.762 0.007 0.000 1.355 648 H HN 0.599 nan 8.280 nan 0.000 0.484 649 E N -1.621 118.659 120.200 0.134 0.000 2.921 649 E HA 0.009 4.360 4.350 0.001 0.000 0.203 649 E C 0.573 177.200 176.600 0.045 0.000 0.975 649 E CA 0.242 56.681 56.400 0.064 0.000 1.225 649 E CB -0.925 28.808 29.700 0.054 0.000 1.048 649 E HN 0.602 nan 8.360 nan 0.000 0.477 650 Y N 0.217 120.546 120.300 0.047 0.000 2.453 650 Y HA 0.438 4.989 4.550 0.001 0.000 0.273 650 Y C 2.671 178.586 175.900 0.026 0.000 1.130 650 Y CA 1.091 59.210 58.100 0.031 0.000 1.271 650 Y CB -0.477 37.999 38.460 0.027 0.000 1.253 650 Y HN 0.140 nan 8.280 nan 0.000 0.512 651 I N 1.307 121.894 120.570 0.029 0.000 2.500 651 I HA 0.134 4.305 4.170 0.001 0.000 0.252 651 I C 2.383 178.513 176.117 0.023 0.000 1.142 651 I CA 2.378 63.692 61.300 0.023 0.000 1.451 651 I CB -2.021 35.993 38.000 0.023 0.000 1.093 651 I HN 0.677 nan 8.210 nan 0.000 0.430 652 R N 1.085 121.601 120.500 0.028 0.000 2.081 652 R HA -0.087 4.254 4.340 0.001 0.000 0.235 652 R C 0.828 177.136 176.300 0.012 0.000 1.131 652 R CA 1.862 57.975 56.100 0.021 0.000 0.960 652 R CB -2.807 27.506 30.300 0.023 0.000 0.856 652 R HN 0.703 nan 8.270 nan 0.000 0.436 653 P HA -0.033 nan 4.420 nan 0.000 0.217 653 P C 1.911 179.216 177.300 0.008 0.000 1.150 653 P CA 1.915 65.020 63.100 0.008 0.000 0.832 653 P CB -0.221 31.484 31.700 0.009 0.000 0.787 654 L N -1.035 120.195 121.223 0.011 0.000 2.191 654 L HA -0.030 4.311 4.340 0.001 0.000 0.212 654 L C 2.744 179.619 176.870 0.009 0.000 1.103 654 L CA 2.614 57.460 54.840 0.010 0.000 0.769 654 L CB -2.415 39.651 42.059 0.011 0.000 0.908 654 L HN 0.090 nan 8.230 nan 0.000 0.438 655 L N -0.764 120.465 121.223 0.011 0.000 2.068 655 L HA 0.558 4.899 4.340 0.001 0.000 0.204 655 L C 1.976 178.851 176.870 0.007 0.000 1.076 655 L CA 2.422 57.268 54.840 0.010 0.000 0.753 655 L CB -1.619 40.448 42.059 0.013 0.000 0.910 655 L HN 0.873 nan 8.230 nan 0.000 0.439 656 K N 0.000 120.403 120.400 0.006 0.000 2.780 656 K HA 0.000 4.321 4.320 0.001 0.000 0.191 656 K CA 0.000 56.289 56.287 0.003 0.000 0.838 656 K CB 0.000 32.501 32.500 0.001 0.000 1.064 656 K HN 0.000 nan 8.250 nan 0.000 0.543