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 2zxd_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.118 176.300 -0.304 0.000 0.893 7 R CA 0.000 55.971 56.100 -0.216 0.000 0.921 7 R CB 0.000 30.244 30.300 -0.092 0.000 0.687 8 Y N 1.777 122.086 120.300 0.015 0.000 2.301 8 Y HA 0.433 4.984 4.550 0.001 0.000 0.325 8 Y C 1.059 176.955 175.900 -0.005 0.000 1.203 8 Y CA -0.016 58.091 58.100 0.012 0.000 1.255 8 Y CB 1.226 39.725 38.460 0.064 0.000 1.232 8 Y HN 0.119 nan 8.280 nan 0.000 0.501 9 K N 3.935 124.399 120.400 0.106 0.000 2.118 9 K HA 0.315 4.636 4.320 0.001 0.000 0.254 9 K C -2.471 174.097 176.600 -0.054 0.000 0.961 9 K CA -2.032 54.265 56.287 0.016 0.000 0.876 9 K CB 1.073 33.560 32.500 -0.022 0.000 1.077 9 K HN 0.325 nan 8.250 nan 0.000 0.440 10 P HA 0.007 nan 4.420 nan 0.000 0.226 10 P C -1.645 175.322 177.300 -0.555 0.000 1.783 10 P CA 0.068 62.940 63.100 -0.381 0.000 0.980 10 P CB -0.645 30.800 31.700 -0.426 0.000 1.967 11 D N -2.003 118.127 120.400 -0.449 0.000 2.736 11 D HA 0.160 4.800 4.640 0.001 0.000 0.223 11 D C 0.450 176.538 176.300 -0.354 0.000 1.231 11 D CA -0.906 52.778 54.000 -0.527 0.000 0.818 11 D CB 0.124 40.744 40.800 -0.299 0.000 1.587 11 D HN -0.070 nan 8.370 nan 0.000 0.463 12 W N 0.585 121.824 121.300 -0.102 0.000 2.325 12 W HA -0.111 4.549 4.660 0.000 0.000 0.299 12 W C 2.093 178.581 176.519 -0.052 0.000 1.215 12 W CA 0.948 58.251 57.345 -0.071 0.000 1.244 12 W CB -0.071 29.364 29.460 -0.040 0.000 1.140 12 W HN 0.642 nan 8.180 nan 0.000 0.523 13 E N 0.336 120.618 120.200 0.138 0.000 2.106 13 E HA -0.233 4.117 4.350 0.001 0.000 0.192 13 E C 2.326 178.958 176.600 0.053 0.000 0.984 13 E CA 1.552 58.001 56.400 0.082 0.000 0.806 13 E CB -0.240 29.489 29.700 0.049 0.000 0.750 13 E HN 0.134 nan 8.360 nan 0.000 0.458 14 S N -0.156 115.561 115.700 0.029 0.000 2.395 14 S HA -0.030 4.440 4.470 0.001 0.000 0.225 14 S C 1.980 176.643 174.600 0.105 0.000 1.027 14 S CA 0.435 58.665 58.200 0.049 0.000 0.965 14 S CB -0.172 63.042 63.200 0.023 0.000 0.812 14 S HN 0.320 nan 8.310 nan 0.000 0.482 15 L N 1.112 122.354 121.223 0.032 0.000 2.201 15 L HA 0.034 4.374 4.340 0.001 0.000 0.212 15 L C 2.733 179.528 176.870 -0.125 0.000 1.105 15 L CA 1.033 55.812 54.840 -0.101 0.000 0.775 15 L CB -0.398 41.505 42.059 -0.260 0.000 0.913 15 L HN 0.274 nan 8.230 nan 0.000 0.440 16 R N 1.009 121.530 120.500 0.035 0.000 2.159 16 R HA -0.188 4.152 4.340 0.001 0.000 0.237 16 R C 1.868 178.203 176.300 0.058 0.000 1.131 16 R CA 1.339 57.488 56.100 0.082 0.000 0.982 16 R CB -0.286 30.046 30.300 0.054 0.000 0.868 16 R HN 0.409 nan 8.270 nan 0.000 0.453 17 E N -0.631 119.624 120.200 0.091 0.000 2.333 17 E HA -0.172 4.179 4.350 0.001 0.000 0.198 17 E C 0.023 176.694 176.600 0.117 0.000 1.007 17 E CA 0.483 56.949 56.400 0.111 0.000 0.845 17 E CB -0.227 29.565 29.700 0.154 0.000 0.766 17 E HN 0.408 nan 8.360 nan 0.000 0.507 18 H N 1.640 120.672 119.070 -0.063 0.000 2.782 18 H HA 0.087 4.644 4.556 0.001 0.000 0.285 18 H C -0.360 174.829 175.328 -0.232 0.000 1.093 18 H CA 0.132 55.974 56.048 -0.343 0.000 1.410 18 H CB 0.413 29.474 29.762 -1.169 0.000 1.439 18 H HN -0.028 nan 8.280 nan 0.000 0.469 19 T N 1.123 115.345 114.554 -0.554 0.000 2.936 19 T HA 0.202 4.553 4.350 0.001 0.000 0.282 19 T C 0.393 174.827 174.700 -0.444 0.000 1.003 19 T CA -0.946 60.947 62.100 -0.345 0.000 1.005 19 T CB 1.698 70.447 68.868 -0.200 0.000 1.097 19 T HN 0.356 nan 8.240 nan 0.000 0.532 20 V N 3.925 123.725 119.914 -0.189 0.000 2.584 20 V HA 0.200 4.321 4.120 0.001 0.000 0.303 20 V C -1.803 174.162 176.094 -0.216 0.000 1.035 20 V CA -1.277 60.942 62.300 -0.135 0.000 1.172 20 V CB -0.065 31.777 31.823 0.032 0.000 0.896 20 V HN 0.847 nan 8.190 nan 0.000 0.486 21 P HA 0.117 nan 4.420 nan 0.000 0.272 21 P C 0.311 177.468 177.300 -0.237 0.000 1.223 21 P CA -0.318 62.633 63.100 -0.249 0.000 0.784 21 P CB 0.814 32.389 31.700 -0.209 0.000 0.923 22 K N 2.371 122.718 120.400 -0.088 0.000 2.063 22 K HA -0.140 4.180 4.320 0.001 0.000 0.208 22 K C 1.957 178.563 176.600 0.010 0.000 1.048 22 K CA 1.861 58.137 56.287 -0.018 0.000 0.928 22 K CB -0.406 32.121 32.500 0.045 0.000 0.713 22 K HN 0.647 nan 8.250 nan 0.000 0.442 23 W N 0.078 121.421 121.300 0.071 0.000 2.342 23 W HA -0.239 4.421 4.660 0.001 0.000 0.297 23 W C 1.529 178.084 176.519 0.061 0.000 1.213 23 W CA 0.403 57.788 57.345 0.067 0.000 1.251 23 W CB -1.040 28.466 29.460 0.077 0.000 1.136 23 W HN 0.038 nan 8.180 nan 0.000 0.526 24 F N 2.769 122.049 119.950 -1.117 0.000 2.113 24 F HA -0.140 4.388 4.527 0.001 0.000 0.297 24 F C 2.330 177.841 175.800 -0.480 0.000 1.103 24 F CA 2.494 59.775 58.000 -1.199 0.000 1.248 24 F CB -0.895 37.184 39.000 -1.534 0.000 0.999 24 F HN -0.104 nan 8.300 nan 0.000 0.475 25 D N -0.219 120.053 120.400 -0.213 0.000 2.149 25 D HA -0.214 4.427 4.640 0.001 0.000 0.198 25 D C 1.912 178.145 176.300 -0.112 0.000 0.990 25 D CA 1.563 55.484 54.000 -0.131 0.000 0.839 25 D CB -0.044 40.739 40.800 -0.028 0.000 0.948 25 D HN 0.297 nan 8.370 nan 0.000 0.460 26 K N -0.402 119.974 120.400 -0.040 0.000 2.314 26 K HA 0.179 4.500 4.320 0.001 0.000 0.198 26 K C 2.045 178.710 176.600 0.109 0.000 1.045 26 K CA 0.503 56.822 56.287 0.054 0.000 0.988 26 K CB 0.247 32.809 32.500 0.103 0.000 0.783 26 K HN 0.105 nan 8.250 nan 0.000 0.484 27 A N 2.054 124.915 122.820 0.070 0.000 1.877 27 A HA -0.237 4.083 4.320 0.001 0.000 0.216 27 A C 0.970 178.719 177.584 0.275 0.000 1.186 27 A CA 1.802 53.963 52.037 0.206 0.000 0.620 27 A CB -0.098 19.056 19.000 0.257 0.000 0.822 27 A HN 0.197 nan 8.150 nan 0.000 0.443 28 K N -3.601 116.839 120.400 0.067 0.000 3.518 28 K HA -0.249 4.072 4.320 0.001 0.000 0.287 28 K C 0.086 176.787 176.600 0.169 0.000 0.935 28 K CA 2.102 58.420 56.287 0.051 0.000 1.201 28 K CB -1.938 30.609 32.500 0.079 0.000 1.453 28 K HN 0.738 nan 8.250 nan 0.000 0.443 29 F N -0.110 119.881 119.950 0.068 0.000 2.585 29 F HA 0.530 5.058 4.527 0.001 0.000 0.319 29 F C 0.126 175.767 175.800 -0.264 0.000 1.165 29 F CA -0.263 57.707 58.000 -0.050 0.000 0.949 29 F CB 2.007 41.028 39.000 0.036 0.000 1.218 29 F HN 0.051 nan 8.300 nan 0.000 0.453 30 G N 5.597 113.802 108.800 -0.992 0.000 2.658 30 G HA2 0.640 4.601 3.960 0.001 0.000 0.292 30 G HA3 0.640 4.601 3.960 0.001 0.000 0.292 30 G C -2.007 172.205 174.900 -1.145 0.000 1.320 30 G CA -0.760 43.361 45.100 -1.633 0.000 0.933 30 G HN 0.401 nan 8.290 nan 0.000 0.476 31 I N 0.857 120.868 120.570 -0.932 0.000 2.378 31 I HA 0.413 4.584 4.170 0.001 0.000 0.291 31 I C -0.953 174.913 176.117 -0.419 0.000 0.992 31 I CA -1.267 59.634 61.300 -0.664 0.000 1.154 31 I CB 1.269 38.709 38.000 -0.934 0.000 1.315 31 I HN 0.198 nan 8.210 nan 0.000 0.448 32 F N 7.055 126.797 119.950 -0.346 0.000 2.385 32 F HA 0.542 5.069 4.527 0.001 0.000 0.336 32 F C 0.235 175.929 175.800 -0.177 0.000 1.100 32 F CA -1.243 56.617 58.000 -0.233 0.000 1.116 32 F CB 1.062 39.982 39.000 -0.134 0.000 1.166 32 F HN 0.177 nan 8.300 nan 0.000 0.511 33 I N 4.903 125.568 120.570 0.158 0.000 2.439 33 I HA 0.158 4.329 4.170 0.001 0.000 0.283 33 I C -1.217 174.939 176.117 0.064 0.000 1.023 33 I CA -0.656 60.684 61.300 0.065 0.000 1.100 33 I CB 1.327 39.382 38.000 0.091 0.000 1.238 33 I HN 0.408 nan 8.210 nan 0.000 0.445 34 H N 5.119 124.147 119.070 -0.069 0.000 2.690 34 H HA 0.357 4.914 4.556 0.001 0.000 0.289 34 H C -1.369 174.136 175.328 0.293 0.000 1.089 34 H CA -0.017 56.004 56.048 -0.044 0.000 1.299 34 H CB 0.713 30.352 29.762 -0.205 0.000 1.405 34 H HN 0.522 nan 8.280 nan 0.000 0.463 35 W N 3.545 124.924 121.300 0.132 0.000 3.097 35 W HA 0.581 5.242 4.660 0.001 0.000 0.335 35 W C -0.626 175.666 176.519 -0.378 0.000 1.114 35 W CA -0.613 56.716 57.345 -0.027 0.000 1.231 35 W CB 1.566 31.133 29.460 0.177 0.000 1.388 35 W HN 0.711 nan 8.180 nan 0.000 0.485 36 G N 3.400 111.437 108.800 -1.271 0.000 2.494 36 G HA2 0.197 4.158 3.960 0.001 0.000 0.308 36 G HA3 0.197 4.158 3.960 0.001 0.000 0.308 36 G C 0.283 173.910 174.900 -2.122 0.000 1.263 36 G CA -0.148 43.977 45.100 -1.626 0.000 0.840 36 G HN 0.977 nan 8.290 nan 0.000 0.479 37 I N -1.041 118.587 120.570 -1.571 0.000 2.676 37 I HA 0.004 4.175 4.170 0.001 0.000 0.259 37 I C 2.187 177.780 176.117 -0.874 0.000 1.194 37 I CA 1.405 61.951 61.300 -1.257 0.000 1.473 37 I CB -0.483 36.930 38.000 -0.979 0.000 1.096 37 I HN 0.533 nan 8.210 nan 0.000 0.443 38 Y N 1.117 121.173 120.300 -0.406 0.000 2.497 38 Y HA 0.095 4.645 4.550 0.001 0.000 0.292 38 Y C 2.334 178.047 175.900 -0.313 0.000 1.137 38 Y CA 0.604 58.559 58.100 -0.243 0.000 1.285 38 Y CB -1.425 37.081 38.460 0.076 0.000 0.991 38 Y HN 0.069 nan 8.280 nan 0.000 0.556 39 S N 0.151 115.574 115.700 -0.462 0.000 2.481 39 S HA -0.092 4.378 4.470 0.001 0.000 0.231 39 S C 2.002 176.547 174.600 -0.092 0.000 0.996 39 S CA 0.932 59.076 58.200 -0.094 0.000 0.942 39 S CB -0.490 62.672 63.200 -0.064 0.000 0.768 39 S HN 0.373 nan 8.310 nan 0.000 0.520 40 V N 3.197 122.888 119.914 -0.371 0.000 2.229 40 V HA -0.096 4.025 4.120 0.001 0.000 0.243 40 V C -0.274 175.654 176.094 -0.277 0.000 1.042 40 V CA 1.603 63.741 62.300 -0.270 0.000 1.000 40 V CB -1.739 29.882 31.823 -0.337 0.000 0.637 40 V HN 0.349 nan 8.190 nan 0.000 0.446 41 P HA -0.069 nan 4.420 nan 0.000 0.220 41 P C 1.187 178.463 177.300 -0.040 0.000 1.148 41 P CA 1.646 64.513 63.100 -0.389 0.000 0.803 41 P CB -0.359 30.729 31.700 -1.020 0.000 0.782 42 G N 0.191 108.942 108.800 -0.083 0.000 2.357 42 G HA2 -0.208 3.752 3.960 0.001 0.000 0.282 42 G HA3 -0.208 3.752 3.960 0.001 0.000 0.282 42 G C -0.716 174.128 174.900 -0.093 0.000 0.910 42 G CA 0.249 45.318 45.100 -0.051 0.000 1.267 42 G HN 0.453 nan 8.290 nan 0.000 0.476 43 W N 0.350 121.573 121.300 -0.128 0.000 3.129 43 W HA 0.675 5.336 4.660 0.001 0.000 0.333 43 W C -0.402 176.086 176.519 -0.052 0.000 1.141 43 W CA -0.098 57.150 57.345 -0.161 0.000 1.224 43 W CB 1.616 30.927 29.460 -0.248 0.000 1.393 43 W HN 0.892 nan 8.180 nan 0.000 0.499 44 A N 2.152 124.510 122.820 -0.770 0.000 2.608 44 A HA 0.635 4.955 4.320 0.001 0.000 0.292 44 A C -0.597 176.283 177.584 -1.172 0.000 1.066 44 A CA -0.612 50.979 52.037 -0.743 0.000 0.676 44 A CB 1.056 19.861 19.000 -0.325 0.000 1.277 44 A HN 0.685 nan 8.150 nan 0.000 0.413 45 T N 0.239 114.266 114.554 -0.878 0.000 2.761 45 T HA 0.534 4.884 4.350 0.001 0.000 0.296 45 T C -2.514 171.879 174.700 -0.511 0.000 0.934 45 T CA -1.560 60.144 62.100 -0.661 0.000 1.091 45 T CB 0.624 69.262 68.868 -0.385 0.000 0.896 45 T HN 0.244 nan 8.240 nan 0.000 0.515 46 P HA 0.139 nan 4.420 nan 0.000 0.246 46 P C 1.054 178.186 177.300 -0.280 0.000 1.675 46 P CA -0.135 62.692 63.100 -0.454 0.000 0.908 46 P CB -0.609 30.631 31.700 -0.768 0.000 1.890 47 T N -1.208 113.171 114.554 -0.290 0.000 2.653 47 T HA -0.031 4.319 4.350 0.001 0.000 0.268 47 T C 1.169 175.798 174.700 -0.118 0.000 1.035 47 T CA 1.765 63.738 62.100 -0.212 0.000 1.154 47 T CB -0.417 68.278 68.868 -0.289 0.000 0.862 47 T HN 0.486 nan 8.240 nan 0.000 0.441 48 G N -0.336 108.401 108.800 -0.104 0.000 2.333 48 G HA2 0.374 4.335 3.960 0.001 0.000 0.288 48 G HA3 0.374 4.335 3.960 0.001 0.000 0.288 48 G C -2.073 172.867 174.900 0.066 0.000 1.286 48 G CA -0.966 44.130 45.100 -0.007 0.000 0.865 48 G HN 0.256 nan 8.290 nan 0.000 0.506 49 E N -0.497 119.763 120.200 0.101 0.000 2.283 49 E HA 0.508 4.858 4.350 0.001 0.000 0.271 49 E C -0.550 176.163 176.600 0.188 0.000 1.031 49 E CA -0.848 55.651 56.400 0.165 0.000 0.868 49 E CB 2.395 32.148 29.700 0.088 0.000 1.094 49 E HN 0.399 nan 8.360 nan 0.000 0.401 50 L N 1.435 122.749 121.223 0.152 0.000 2.455 50 L HA 0.255 4.596 4.340 0.001 0.000 0.272 50 L C 1.020 177.767 176.870 -0.205 0.000 1.174 50 L CA 1.653 56.323 54.840 -0.283 0.000 0.869 50 L CB 0.069 41.827 42.059 -0.502 0.000 1.130 50 L HN 0.846 nan 8.230 nan 0.000 0.474 51 G N 3.479 112.123 108.800 -0.259 0.000 2.254 51 G HA2 -0.302 3.658 3.960 0.001 0.000 0.225 51 G HA3 -0.302 3.658 3.960 0.001 0.000 0.225 51 G C 1.030 175.913 174.900 -0.028 0.000 1.003 51 G CA 0.409 45.468 45.100 -0.069 0.000 0.622 51 G HN 0.669 nan 8.290 nan 0.000 0.507 52 K N -0.048 120.343 120.400 -0.016 0.000 2.370 52 K HA 0.505 4.826 4.320 0.001 0.000 0.194 52 K C 0.597 177.212 176.600 0.025 0.000 1.070 52 K CA 0.520 56.809 56.287 0.002 0.000 0.998 52 K CB 0.611 33.108 32.500 -0.004 0.000 0.911 52 K HN 0.201 nan 8.250 nan 0.000 0.533 53 V N 4.707 124.660 119.914 0.066 0.000 2.465 53 V HA 0.227 4.348 4.120 0.001 0.000 0.279 53 V C -2.244 173.905 176.094 0.090 0.000 1.045 53 V CA -1.929 60.439 62.300 0.114 0.000 0.938 53 V CB 1.032 33.012 31.823 0.261 0.000 0.986 53 V HN 0.239 nan 8.190 nan 0.000 0.467 54 P HA 0.050 nan 4.420 nan 0.000 0.262 54 P C 0.539 177.906 177.300 0.111 0.000 1.182 54 P CA -0.119 63.023 63.100 0.070 0.000 0.761 54 P CB 0.620 32.358 31.700 0.064 0.000 0.795 55 M N 2.031 121.682 119.600 0.086 0.000 2.557 55 M HA -0.078 4.402 4.480 0.001 0.000 0.259 55 M C 1.239 177.705 176.300 0.278 0.000 1.086 55 M CA 1.178 56.552 55.300 0.123 0.000 1.096 55 M CB -1.280 31.356 32.600 0.060 0.000 1.424 55 M HN 0.418 nan 8.290 nan 0.000 0.488 56 D N -0.770 119.794 120.400 0.273 0.000 2.355 56 D HA 0.044 4.684 4.640 0.001 0.000 0.218 56 D C 1.310 177.827 176.300 0.363 0.000 1.004 56 D CA 0.898 55.136 54.000 0.397 0.000 0.880 56 D CB 0.023 40.985 40.800 0.270 0.000 0.911 56 D HN 0.271 nan 8.370 nan 0.000 0.528 57 A N -0.474 122.512 122.820 0.277 0.000 2.226 57 A HA 0.112 4.432 4.320 0.001 0.000 0.207 57 A C 1.751 179.476 177.584 0.235 0.000 1.293 57 A CA -0.111 52.078 52.037 0.253 0.000 0.968 57 A CB -1.100 17.959 19.000 0.099 0.000 1.044 57 A HN 0.299 nan 8.150 nan 0.000 0.493 58 W N 0.939 122.190 121.300 -0.081 0.000 2.280 58 W HA -0.321 4.340 4.660 0.001 0.000 0.332 58 W C 1.185 177.409 176.519 -0.492 0.000 1.300 58 W CA 2.349 59.470 57.345 -0.375 0.000 1.274 58 W CB -0.689 28.391 29.460 -0.633 0.000 1.141 58 W HN 0.373 nan 8.180 nan 0.000 0.474 59 F N -0.819 119.085 119.950 -0.078 0.000 2.502 59 F HA -0.094 4.433 4.527 0.001 0.000 0.298 59 F C 1.963 177.481 175.800 -0.471 0.000 1.111 59 F CA 0.980 58.761 58.000 -0.365 0.000 1.445 59 F CB -0.989 37.777 39.000 -0.389 0.000 1.081 59 F HN -0.236 nan 8.300 nan 0.000 0.558 60 F N -0.204 119.693 119.950 -0.088 0.000 2.664 60 F HA 0.035 4.562 4.527 0.001 0.000 0.296 60 F C 0.896 176.628 175.800 -0.114 0.000 1.125 60 F CA 0.447 58.398 58.000 -0.082 0.000 1.444 60 F CB -0.112 38.849 39.000 -0.065 0.000 1.114 60 F HN -0.025 nan 8.300 nan 0.000 0.576 61 Q N -0.048 119.709 119.800 -0.071 0.000 2.903 61 Q HA 0.164 4.505 4.340 0.001 0.000 0.342 61 Q C -0.883 174.846 176.000 -0.453 0.000 0.808 61 Q CA -0.372 55.328 55.803 -0.173 0.000 1.004 61 Q CB 0.049 28.716 28.738 -0.119 0.000 1.470 61 Q HN -0.029 nan 8.270 nan 0.000 0.387 62 N N 3.458 121.838 118.700 -0.534 0.000 2.452 62 N HA 0.041 4.781 4.740 0.001 0.000 0.266 62 N C -1.481 173.611 175.510 -0.698 0.000 1.209 62 N CA -1.132 51.389 53.050 -0.881 0.000 0.929 62 N CB 1.079 39.204 38.487 -0.604 0.000 1.063 62 N HN 0.254 nan 8.380 nan 0.000 0.472 63 P HA -0.012 nan 4.420 nan 0.000 0.245 63 P C -0.487 176.707 177.300 -0.176 0.000 1.212 63 P CA 0.482 63.267 63.100 -0.524 0.000 0.774 63 P CB 0.150 31.535 31.700 -0.525 0.000 0.999 64 Y N 0.781 120.888 120.300 -0.322 0.000 2.477 64 Y HA 0.384 4.934 4.550 0.001 0.000 0.349 64 Y C 1.892 177.811 175.900 0.032 0.000 0.977 64 Y CA -1.706 56.356 58.100 -0.062 0.000 1.214 64 Y CB 0.126 38.653 38.460 0.111 0.000 1.124 64 Y HN -0.049 nan 8.280 nan 0.000 0.521 65 A N 3.065 125.964 122.820 0.132 0.000 2.070 65 A HA -0.143 4.178 4.320 0.001 0.000 0.220 65 A C 1.959 179.657 177.584 0.191 0.000 1.159 65 A CA 1.377 53.505 52.037 0.151 0.000 0.656 65 A CB -0.279 18.748 19.000 0.046 0.000 0.800 65 A HN 0.720 nan 8.150 nan 0.000 0.453 66 E N -1.392 118.805 120.200 -0.006 0.000 2.418 66 E HA -0.184 4.166 4.350 0.001 0.000 0.197 66 E C 0.729 177.331 176.600 0.004 0.000 1.026 66 E CA 0.465 56.539 56.400 -0.544 0.000 0.862 66 E CB -0.429 28.527 29.700 -1.240 0.000 0.799 66 E HN 0.783 nan 8.360 nan 0.000 0.518 67 W N 0.551 121.967 121.300 0.194 0.000 3.388 67 W HA 0.215 4.875 4.660 0.001 0.000 0.324 67 W C 1.437 178.115 176.519 0.265 0.000 1.250 67 W CA -0.789 56.797 57.345 0.403 0.000 1.809 67 W CB -0.553 29.152 29.460 0.408 0.000 1.083 67 W HN 0.106 nan 8.180 nan 0.000 0.685 68 Y N 1.383 121.872 120.300 0.314 0.000 2.102 68 Y HA -0.399 4.152 4.550 0.001 0.000 0.280 68 Y C 2.510 178.447 175.900 0.062 0.000 1.178 68 Y CA 2.674 60.925 58.100 0.251 0.000 1.146 68 Y CB -0.229 38.441 38.460 0.350 0.000 0.968 68 Y HN 0.092 nan 8.280 nan 0.000 0.504 69 E N -0.256 119.947 120.200 0.005 0.000 2.051 69 E HA -0.311 4.039 4.350 0.001 0.000 0.192 69 E C 2.069 178.411 176.600 -0.430 0.000 0.991 69 E CA 1.476 57.608 56.400 -0.447 0.000 0.799 69 E CB -0.392 28.775 29.700 -0.889 0.000 0.748 69 E HN 0.561 nan 8.360 nan 0.000 0.449 70 N N -0.196 118.116 118.700 -0.647 0.000 2.069 70 N HA -0.158 4.583 4.740 0.001 0.000 0.191 70 N C 1.805 177.152 175.510 -0.271 0.000 1.031 70 N CA 2.031 54.665 53.050 -0.693 0.000 0.852 70 N CB -0.125 37.959 38.487 -0.671 0.000 1.018 70 N HN -0.013 nan 8.380 nan 0.000 0.423 71 S N -0.138 115.500 115.700 -0.102 0.000 2.368 71 S HA -0.112 4.358 4.470 0.001 0.000 0.225 71 S C 1.696 176.235 174.600 -0.101 0.000 1.030 71 S CA 0.848 59.001 58.200 -0.077 0.000 0.999 71 S CB -0.449 62.735 63.200 -0.027 0.000 0.844 71 S HN 0.364 nan 8.310 nan 0.000 0.459 72 L N 2.049 123.169 121.223 -0.171 0.000 2.131 72 L HA 0.023 4.364 4.340 0.001 0.000 0.210 72 L C 1.993 178.871 176.870 0.014 0.000 1.092 72 L CA 1.624 56.407 54.840 -0.094 0.000 0.759 72 L CB -0.447 41.503 42.059 -0.182 0.000 0.903 72 L HN 0.116 nan 8.230 nan 0.000 0.435 73 R N -0.678 119.757 120.500 -0.107 0.000 2.280 73 R HA 0.091 4.432 4.340 0.001 0.000 0.207 73 R C 0.288 176.518 176.300 -0.115 0.000 1.043 73 R CA 0.349 56.382 56.100 -0.111 0.000 1.006 73 R CB -0.248 29.925 30.300 -0.211 0.000 0.885 73 R HN 0.322 nan 8.270 nan 0.000 0.467 74 I N 2.187 122.689 120.570 -0.113 0.000 2.281 74 I HA 0.058 4.229 4.170 0.001 0.000 0.293 74 I C 0.309 176.357 176.117 -0.115 0.000 1.085 74 I CA -0.369 60.858 61.300 -0.122 0.000 1.257 74 I CB 0.785 38.688 38.000 -0.161 0.000 1.430 74 I HN -0.060 nan 8.210 nan 0.000 0.489 75 K N 6.112 126.340 120.400 -0.288 0.000 2.489 75 K HA -0.035 4.286 4.320 0.001 0.000 0.278 75 K C 0.495 176.800 176.600 -0.491 0.000 1.000 75 K CA 0.563 56.403 56.287 -0.746 0.000 1.012 75 K CB 0.341 32.356 32.500 -0.808 0.000 0.903 75 K HN 0.614 nan 8.250 nan 0.000 0.485 76 E N -0.039 119.833 120.200 -0.546 0.000 3.496 76 E HA -0.238 4.113 4.350 0.001 0.000 0.300 76 E C -0.412 176.290 176.600 0.170 0.000 0.877 76 E CA 0.925 57.327 56.400 0.003 0.000 1.050 76 E CB -1.259 28.359 29.700 -0.136 0.000 1.532 76 E HN 0.778 nan 8.360 nan 0.000 0.447 77 S N -0.972 114.852 115.700 0.207 0.000 2.608 77 S HA 0.279 4.750 4.470 0.001 0.000 0.261 77 S C -1.668 173.086 174.600 0.257 0.000 1.314 77 S CA -0.977 57.350 58.200 0.212 0.000 0.992 77 S CB 1.096 64.389 63.200 0.156 0.000 0.935 77 S HN -0.236 nan 8.310 nan 0.000 0.564 78 P HA -0.023 nan 4.420 nan 0.000 0.218 78 P C 1.376 178.836 177.300 0.267 0.000 1.149 78 P CA 1.279 64.559 63.100 0.300 0.000 0.817 78 P CB -0.293 31.619 31.700 0.354 0.000 0.785 79 T N -1.925 112.782 114.554 0.256 0.000 2.746 79 T HA -0.187 4.164 4.350 0.001 0.000 0.267 79 T C 1.396 176.092 174.700 -0.006 0.000 1.039 79 T CA 1.123 63.250 62.100 0.046 0.000 1.142 79 T CB -0.974 67.853 68.868 -0.069 0.000 0.866 79 T HN 0.195 nan 8.240 nan 0.000 0.444 80 W N 2.454 123.728 121.300 -0.044 0.000 2.333 80 W HA -0.142 4.519 4.660 0.001 0.000 0.316 80 W C 2.219 178.758 176.519 0.035 0.000 1.215 80 W CA 1.263 58.605 57.345 -0.004 0.000 1.278 80 W CB -0.122 29.336 29.460 -0.003 0.000 1.154 80 W HN 0.152 nan 8.180 nan 0.000 0.486 81 E N -0.556 119.740 120.200 0.161 0.000 2.038 81 E HA -0.321 4.029 4.350 0.001 0.000 0.195 81 E C 1.897 178.377 176.600 -0.201 0.000 1.000 81 E CA 1.946 58.328 56.400 -0.031 0.000 0.803 81 E CB -1.578 28.202 29.700 0.132 0.000 0.750 81 E HN 0.501 nan 8.360 nan 0.000 0.448 82 Y N 1.411 121.513 120.300 -0.330 0.000 2.114 82 Y HA -0.312 4.238 4.550 0.001 0.000 0.282 82 Y C 2.559 178.237 175.900 -0.371 0.000 1.165 82 Y CA 2.380 60.164 58.100 -0.527 0.000 1.148 82 Y CB -0.615 37.099 38.460 -1.243 0.000 0.972 82 Y HN 0.193 nan 8.280 nan 0.000 0.504 83 H N -0.815 118.070 119.070 -0.309 0.000 2.319 83 H HA -0.160 4.397 4.556 0.001 0.000 0.299 83 H C 2.226 177.355 175.328 -0.332 0.000 1.092 83 H CA 2.588 58.547 56.048 -0.148 0.000 1.302 83 H CB -0.539 29.208 29.762 -0.025 0.000 1.373 83 H HN 0.227 nan 8.280 nan 0.000 0.497 84 V N 1.017 120.655 119.914 -0.459 0.000 2.287 84 V HA -0.268 3.852 4.120 0.001 0.000 0.248 84 V C 2.527 178.353 176.094 -0.447 0.000 1.053 84 V CA 2.296 64.282 62.300 -0.523 0.000 1.027 84 V CB -0.564 30.746 31.823 -0.854 0.000 0.646 84 V HN 0.487 nan 8.190 nan 0.000 0.447 85 K N -0.441 119.682 120.400 -0.460 0.000 2.148 85 K HA -0.161 4.159 4.320 0.001 0.000 0.204 85 K C 1.962 178.254 176.600 -0.514 0.000 1.050 85 K CA 1.943 57.987 56.287 -0.405 0.000 0.942 85 K CB -0.115 32.178 32.500 -0.344 0.000 0.724 85 K HN 0.535 nan 8.250 nan 0.000 0.446 86 T N -0.762 113.336 114.554 -0.761 0.000 2.983 86 T HA 0.026 4.376 4.350 0.001 0.000 0.250 86 T C 1.064 175.117 174.700 -1.079 0.000 1.037 86 T CA 0.827 62.327 62.100 -1.000 0.000 1.142 86 T CB -0.103 67.851 68.868 -1.522 0.000 0.876 86 T HN 0.275 nan 8.240 nan 0.000 0.455 87 Y N 0.726 120.580 120.300 -0.744 0.000 2.526 87 Y HA 0.477 5.027 4.550 0.001 0.000 0.265 87 Y C 1.436 177.018 175.900 -0.529 0.000 1.092 87 Y CA 0.049 57.629 58.100 -0.867 0.000 1.277 87 Y CB 0.702 38.202 38.460 -1.600 0.000 1.228 87 Y HN 0.365 nan 8.280 nan 0.000 0.507 88 G N 0.958 109.553 108.800 -0.343 0.000 2.662 88 G HA2 -0.207 3.754 3.960 0.001 0.000 0.686 88 G HA3 -0.207 3.754 3.960 0.001 0.000 0.686 88 G C 0.047 174.933 174.900 -0.024 0.000 1.271 88 G CA -0.251 44.756 45.100 -0.155 0.000 0.816 88 G HN 0.244 nan 8.290 nan 0.000 0.608 89 E N -0.193 120.006 120.200 -0.002 0.000 2.268 89 E HA -0.109 4.242 4.350 0.001 0.000 0.195 89 E C 1.825 178.508 176.600 0.138 0.000 0.995 89 E CA 0.950 57.401 56.400 0.085 0.000 0.836 89 E CB 0.088 29.838 29.700 0.084 0.000 0.763 89 E HN 0.356 nan 8.360 nan 0.000 0.491 90 N N -0.122 118.647 118.700 0.116 0.000 2.346 90 N HA -0.023 4.717 4.740 0.001 0.000 0.225 90 N C -1.244 174.339 175.510 0.123 0.000 1.144 90 N CA -0.029 53.078 53.050 0.096 0.000 0.837 90 N CB -0.106 38.413 38.487 0.054 0.000 1.069 90 N HN -0.030 nan 8.380 nan 0.000 0.487 91 F N 1.193 121.163 119.950 0.034 0.000 2.359 91 F HA 0.342 4.869 4.527 0.001 0.000 0.369 91 F C -0.453 175.391 175.800 0.072 0.000 1.084 91 F CA -1.055 56.949 58.000 0.006 0.000 1.096 91 F CB 0.534 39.506 39.000 -0.046 0.000 1.335 91 F HN -0.067 nan 8.300 nan 0.000 0.457 92 E N 3.792 123.981 120.200 -0.018 0.000 2.383 92 E HA 0.005 4.355 4.350 0.001 0.000 0.264 92 E C 0.468 177.080 176.600 0.020 0.000 1.050 92 E CA -0.230 56.196 56.400 0.044 0.000 0.896 92 E CB 0.418 30.106 29.700 -0.020 0.000 0.982 92 E HN 0.676 nan 8.360 nan 0.000 0.424 93 Y N 2.231 122.551 120.300 0.033 0.000 2.139 93 Y HA -0.335 4.215 4.550 0.001 0.000 0.282 93 Y C 1.387 177.372 175.900 0.141 0.000 1.179 93 Y CA 2.347 60.536 58.100 0.148 0.000 1.161 93 Y CB 0.024 38.641 38.460 0.262 0.000 0.970 93 Y HN 0.614 nan 8.280 nan 0.000 0.511 94 E N 0.225 120.514 120.200 0.148 0.000 2.209 94 E HA -0.221 4.130 4.350 0.001 0.000 0.196 94 E C 2.056 178.638 176.600 -0.030 0.000 0.993 94 E CA 1.375 57.861 56.400 0.144 0.000 0.819 94 E CB -0.262 29.492 29.700 0.089 0.000 0.745 94 E HN 0.450 nan 8.360 nan 0.000 0.477 95 K N 0.078 120.325 120.400 -0.254 0.000 2.211 95 K HA -0.131 4.190 4.320 0.001 0.000 0.204 95 K C 1.368 177.797 176.600 -0.285 0.000 1.047 95 K CA 0.903 56.948 56.287 -0.403 0.000 0.935 95 K CB -0.178 31.760 32.500 -0.938 0.000 0.728 95 K HN 0.173 nan 8.250 nan 0.000 0.452 96 F N 0.547 120.379 119.950 -0.197 0.000 2.333 96 F HA -0.172 4.355 4.527 0.001 0.000 0.300 96 F C 2.326 177.935 175.800 -0.319 0.000 1.083 96 F CA 0.436 58.283 58.000 -0.254 0.000 1.395 96 F CB -0.113 38.598 39.000 -0.482 0.000 1.056 96 F HN 0.150 nan 8.300 nan 0.000 0.529 97 A N -0.196 122.508 122.820 -0.194 0.000 1.972 97 A HA -0.192 4.129 4.320 0.001 0.000 0.219 97 A C 1.823 179.337 177.584 -0.116 0.000 1.169 97 A CA 1.898 53.723 52.037 -0.354 0.000 0.635 97 A CB -0.526 18.276 19.000 -0.330 0.000 0.810 97 A HN 0.252 nan 8.150 nan 0.000 0.446 98 D N -0.435 119.936 120.400 -0.048 0.000 2.323 98 D HA 0.032 4.673 4.640 0.001 0.000 0.209 98 D C 1.624 177.932 176.300 0.012 0.000 0.973 98 D CA 0.607 54.597 54.000 -0.017 0.000 0.874 98 D CB 0.041 40.824 40.800 -0.028 0.000 0.930 98 D HN 0.462 nan 8.370 nan 0.000 0.521 99 L N -0.192 121.064 121.223 0.055 0.000 2.477 99 L HA 0.072 4.412 4.340 0.001 0.000 0.220 99 L C 0.739 177.681 176.870 0.121 0.000 1.106 99 L CA -0.177 54.731 54.840 0.112 0.000 0.851 99 L CB 0.087 42.276 42.059 0.217 0.000 0.994 99 L HN -0.104 nan 8.230 nan 0.000 0.462 100 F N 2.146 122.001 119.950 -0.160 0.000 2.651 100 F HA 0.074 4.601 4.527 0.001 0.000 0.347 100 F C 1.395 177.079 175.800 -0.193 0.000 1.284 100 F CA -0.606 57.244 58.000 -0.251 0.000 1.175 100 F CB -0.228 38.484 39.000 -0.479 0.000 1.542 100 F HN -0.060 nan 8.300 nan 0.000 0.661 101 T N 1.528 116.014 114.554 -0.114 0.000 3.060 101 T HA 0.345 4.696 4.350 0.001 0.000 0.249 101 T C 1.321 175.883 174.700 -0.229 0.000 1.079 101 T CA 0.269 62.251 62.100 -0.197 0.000 1.013 101 T CB -0.283 68.552 68.868 -0.055 0.000 0.975 101 T HN 1.068 nan 8.240 nan 0.000 0.518 102 A N 1.542 124.248 122.820 -0.190 0.000 2.748 102 A HA -0.272 4.048 4.320 0.001 0.000 0.297 102 A C 1.330 178.972 177.584 0.097 0.000 1.508 102 A CA 1.500 53.528 52.037 -0.014 0.000 0.799 102 A CB -2.515 16.290 19.000 -0.325 0.000 1.011 102 A HN 0.701 nan 8.150 nan 0.000 0.500 103 E N 0.191 120.441 120.200 0.082 0.000 2.130 103 E HA -0.173 4.178 4.350 0.001 0.000 0.196 103 E C 1.416 178.080 176.600 0.105 0.000 0.998 103 E CA 2.176 58.622 56.400 0.077 0.000 0.806 103 E CB -0.129 29.611 29.700 0.067 0.000 0.738 103 E HN 0.768 nan 8.360 nan 0.000 0.459 104 K N -0.884 119.604 120.400 0.147 0.000 2.498 104 K HA 0.084 4.404 4.320 0.001 0.000 0.207 104 K C -0.832 175.868 176.600 0.166 0.000 1.033 104 K CA -0.526 55.839 56.287 0.130 0.000 1.138 104 K CB 0.070 32.639 32.500 0.115 0.000 0.860 104 K HN 0.140 nan 8.250 nan 0.000 0.490 105 W N 2.422 123.701 121.300 -0.035 0.000 2.253 105 W HA 0.054 4.715 4.660 0.001 0.000 0.322 105 W C -0.355 176.023 176.519 -0.236 0.000 1.342 105 W CA -0.031 57.205 57.345 -0.182 0.000 1.218 105 W CB 0.571 29.946 29.460 -0.141 0.000 1.205 105 W HN 0.002 nan 8.180 nan 0.000 0.551 106 D N 8.340 128.273 120.400 -0.777 0.000 2.358 106 D HA 0.209 4.849 4.640 0.001 0.000 0.253 106 D C -1.486 174.100 176.300 -1.190 0.000 1.288 106 D CA -2.043 51.502 54.000 -0.758 0.000 0.950 106 D CB 1.929 42.507 40.800 -0.370 0.000 1.197 106 D HN 0.120 nan 8.370 nan 0.000 0.550 107 P HA -0.185 nan 4.420 nan 0.000 0.218 107 P C 1.134 178.099 177.300 -0.559 0.000 1.148 107 P CA 1.090 63.422 63.100 -1.280 0.000 0.822 107 P CB 0.625 31.599 31.700 -1.209 0.000 0.784 108 Q N -0.076 119.462 119.800 -0.436 0.000 2.119 108 Q HA -0.127 4.214 4.340 0.001 0.000 0.201 108 Q C 2.288 178.164 176.000 -0.205 0.000 0.972 108 Q CA 1.093 56.747 55.803 -0.248 0.000 0.847 108 Q CB -0.260 28.360 28.738 -0.197 0.000 0.903 108 Q HN 0.463 nan 8.270 nan 0.000 0.433 109 E N -0.110 119.953 120.200 -0.228 0.000 2.077 109 E HA -0.200 4.150 4.350 0.001 0.000 0.193 109 E C 1.674 178.191 176.600 -0.138 0.000 0.989 109 E CA 0.910 57.223 56.400 -0.145 0.000 0.800 109 E CB -0.132 29.507 29.700 -0.101 0.000 0.746 109 E HN 0.416 nan 8.360 nan 0.000 0.452 110 W N 1.068 122.070 121.300 -0.496 0.000 2.335 110 W HA -0.132 4.528 4.660 0.001 0.000 0.311 110 W C 2.657 178.524 176.519 -1.086 0.000 1.213 110 W CA 1.230 58.070 57.345 -0.842 0.000 1.274 110 W CB -1.067 28.040 29.460 -0.588 0.000 1.148 110 W HN 0.089 nan 8.180 nan 0.000 0.498 111 A N -0.349 122.316 122.820 -0.259 0.000 1.902 111 A HA -0.264 4.057 4.320 0.001 0.000 0.217 111 A C 1.760 179.288 177.584 -0.093 0.000 1.181 111 A CA 2.315 54.303 52.037 -0.081 0.000 0.623 111 A CB -1.108 17.892 19.000 -0.001 0.000 0.818 111 A HN 0.320 nan 8.150 nan 0.000 0.443 112 D N -0.784 119.540 120.400 -0.127 0.000 2.117 112 D HA -0.140 4.501 4.640 0.001 0.000 0.198 112 D C 1.796 178.049 176.300 -0.079 0.000 0.982 112 D CA 1.299 55.253 54.000 -0.077 0.000 0.828 112 D CB -0.166 40.589 40.800 -0.076 0.000 0.967 112 D HN 0.258 nan 8.370 nan 0.000 0.464 113 L N -0.302 120.811 121.223 -0.184 0.000 2.017 113 L HA -0.073 4.268 4.340 0.001 0.000 0.208 113 L C 2.026 178.911 176.870 0.025 0.000 1.073 113 L CA 1.697 56.456 54.840 -0.136 0.000 0.745 113 L CB -0.914 40.986 42.059 -0.265 0.000 0.894 113 L HN 0.175 nan 8.230 nan 0.000 0.432 114 F N -0.138 119.813 119.950 0.001 0.000 2.134 114 F HA -0.248 4.280 4.527 0.001 0.000 0.299 114 F C 2.620 178.420 175.800 -0.000 0.000 1.097 114 F CA 1.230 59.216 58.000 -0.023 0.000 1.264 114 F CB -0.390 38.590 39.000 -0.034 0.000 1.001 114 F HN 0.131 nan 8.300 nan 0.000 0.479 115 K N 1.288 121.803 120.400 0.191 0.000 2.026 115 K HA -0.184 4.136 4.320 0.001 0.000 0.208 115 K C 1.910 178.584 176.600 0.123 0.000 1.048 115 K CA 1.393 57.753 56.287 0.122 0.000 0.929 115 K CB -0.089 32.455 32.500 0.073 0.000 0.713 115 K HN 0.120 nan 8.250 nan 0.000 0.439 116 K N -0.113 120.348 120.400 0.102 0.000 2.209 116 K HA -0.086 4.234 4.320 0.001 0.000 0.204 116 K C 1.836 178.529 176.600 0.156 0.000 1.048 116 K CA 1.063 57.411 56.287 0.102 0.000 0.940 116 K CB -0.036 32.503 32.500 0.065 0.000 0.729 116 K HN 0.213 nan 8.250 nan 0.000 0.451 117 A N 0.134 123.075 122.820 0.203 0.000 2.209 117 A HA 0.093 4.414 4.320 0.001 0.000 0.212 117 A C 1.505 179.340 177.584 0.418 0.000 1.158 117 A CA 1.166 53.372 52.037 0.281 0.000 0.742 117 A CB -0.323 18.867 19.000 0.317 0.000 0.790 117 A HN 0.437 nan 8.150 nan 0.000 0.472 118 G N -2.451 106.570 108.800 0.368 0.000 2.179 118 G HA2 0.129 4.090 3.960 0.001 0.000 0.220 118 G HA3 0.129 4.090 3.960 0.001 0.000 0.220 118 G C 0.430 175.642 174.900 0.520 0.000 0.990 118 G CA 0.196 45.595 45.100 0.499 0.000 0.646 118 G HN 1.542 nan 8.290 nan 0.000 0.517 119 A N -0.040 122.870 122.820 0.150 0.000 2.407 119 A HA 0.673 4.994 4.320 0.001 0.000 0.248 119 A C 1.216 178.748 177.584 -0.087 0.000 1.082 119 A CA 0.681 52.509 52.037 -0.348 0.000 0.785 119 A CB 0.453 19.042 19.000 -0.685 0.000 1.020 119 A HN 0.152 nan 8.150 nan 0.000 0.489 120 K N 0.041 120.405 120.400 -0.061 0.000 2.373 120 K HA 0.181 4.501 4.320 0.001 0.000 0.200 120 K C -0.849 175.897 176.600 0.242 0.000 1.054 120 K CA 0.553 56.910 56.287 0.117 0.000 1.065 120 K CB 0.240 32.874 32.500 0.223 0.000 0.886 120 K HN 0.807 nan 8.250 nan 0.000 0.546 121 Y N -3.193 117.091 120.300 -0.027 0.000 2.624 121 Y HA 0.644 5.195 4.550 0.001 0.000 0.334 121 Y C -0.943 174.922 175.900 -0.059 0.000 1.155 121 Y CA -1.507 56.609 58.100 0.026 0.000 1.046 121 Y CB 1.194 39.776 38.460 0.202 0.000 1.316 121 Y HN -0.328 nan 8.280 nan 0.000 0.457 122 V N 3.733 123.717 119.914 0.116 0.000 2.709 122 V HA 0.552 4.673 4.120 0.001 0.000 0.308 122 V C -0.699 175.384 176.094 -0.020 0.000 1.062 122 V CA -0.820 61.457 62.300 -0.038 0.000 0.901 122 V CB 1.967 33.867 31.823 0.128 0.000 1.003 122 V HN 0.741 nan 8.190 nan 0.000 0.425 123 I N 6.586 127.109 120.570 -0.079 0.000 2.503 123 I HA 0.396 4.566 4.170 0.001 0.000 0.282 123 I C -2.710 173.473 176.117 0.110 0.000 1.059 123 I CA -1.489 59.778 61.300 -0.055 0.000 1.081 123 I CB 2.757 40.727 38.000 -0.050 0.000 1.210 123 I HN 0.425 nan 8.210 nan 0.000 0.450 124 P HA 0.220 nan 4.420 nan 0.000 0.285 124 P C -0.409 177.004 177.300 0.188 0.000 1.269 124 P CA -0.398 62.831 63.100 0.216 0.000 0.844 124 P CB 1.374 33.304 31.700 0.384 0.000 1.094 125 T N -1.939 112.656 114.554 0.067 0.000 2.751 125 T HA 0.130 4.481 4.350 0.001 0.000 0.290 125 T C 1.427 176.310 174.700 0.305 0.000 0.919 125 T CA 0.010 62.142 62.100 0.054 0.000 1.136 125 T CB -0.726 67.982 68.868 -0.267 0.000 0.875 125 T HN 0.533 nan 8.240 nan 0.000 0.532 126 T N -0.075 114.728 114.554 0.414 0.000 3.014 126 T HA 0.119 4.470 4.350 0.001 0.000 0.263 126 T C 0.546 175.611 174.700 0.609 0.000 1.078 126 T CA 0.212 62.591 62.100 0.465 0.000 1.135 126 T CB -0.022 69.017 68.868 0.286 0.000 0.895 126 T HN 0.693 nan 8.240 nan 0.000 0.480 127 K N 0.439 121.138 120.400 0.498 0.000 2.616 127 K HA 0.201 4.521 4.320 0.001 0.000 0.255 127 K C -1.394 175.350 176.600 0.240 0.000 0.995 127 K CA -0.708 55.787 56.287 0.347 0.000 0.860 127 K CB 1.446 34.100 32.500 0.256 0.000 1.264 127 K HN 0.326 nan 8.250 nan 0.000 0.451 128 H N 1.898 121.061 119.070 0.155 0.000 2.748 128 H HA 0.220 4.776 4.556 0.001 0.000 0.288 128 H C 0.685 175.933 175.328 -0.132 0.000 1.539 128 H CA -0.009 56.038 56.048 -0.002 0.000 1.577 128 H CB 0.961 30.659 29.762 -0.107 0.000 1.721 128 H HN 0.694 nan 8.280 nan 0.000 0.869 129 H N 0.118 118.794 119.070 -0.656 0.000 2.457 129 H HA -0.126 4.430 4.556 0.001 0.000 0.297 129 H C 1.396 176.171 175.328 -0.922 0.000 1.092 129 H CA 1.362 56.720 56.048 -1.150 0.000 1.309 129 H CB -0.400 28.006 29.762 -2.259 0.000 1.382 129 H HN 0.568 nan 8.280 nan 0.000 0.535 130 D N -0.545 119.777 120.400 -0.131 0.000 2.371 130 D HA 0.005 4.646 4.640 0.001 0.000 0.221 130 D C 1.746 178.334 176.300 0.479 0.000 0.986 130 D CA 0.864 55.084 54.000 0.366 0.000 0.899 130 D CB -0.474 40.739 40.800 0.689 0.000 0.902 130 D HN 0.411 nan 8.370 nan 0.000 0.530 131 G N -0.172 108.834 108.800 0.342 0.000 2.184 131 G HA2 -0.312 3.649 3.960 0.001 0.000 0.264 131 G HA3 -0.312 3.649 3.960 0.001 0.000 0.264 131 G C -0.005 175.249 174.900 0.591 0.000 0.975 131 G CA 0.152 45.527 45.100 0.459 0.000 0.642 131 G HN 0.457 nan 8.290 nan 0.000 0.536 132 F N 2.139 122.312 119.950 0.372 0.000 2.467 132 F HA 0.543 5.071 4.527 0.001 0.000 0.362 132 F C 0.847 176.669 175.800 0.037 0.000 1.090 132 F CA -0.625 57.356 58.000 -0.032 0.000 1.202 132 F CB 0.496 39.279 39.000 -0.363 0.000 1.113 132 F HN 0.182 nan 8.300 nan 0.000 0.541 133 C N 7.646 126.549 119.300 -0.662 0.000 2.319 133 C HA 0.330 4.791 4.460 0.001 0.000 0.335 133 C C 0.827 175.507 174.990 -0.517 0.000 1.274 133 C CA -0.829 57.931 59.018 -0.430 0.000 1.806 133 C CB 0.522 27.818 27.740 -0.740 0.000 2.329 133 C HN 0.790 nan 8.230 nan 0.000 0.524 134 L N 2.992 124.274 121.223 0.099 0.000 2.737 134 L HA 0.244 4.585 4.340 0.001 0.000 0.236 134 L C 0.041 177.094 176.870 0.304 0.000 1.219 134 L CA 0.469 55.397 54.840 0.148 0.000 1.021 134 L CB -0.912 41.299 42.059 0.253 0.000 1.291 134 L HN 0.897 nan 8.230 nan 0.000 0.470 135 W N -3.368 117.919 121.300 -0.023 0.000 3.075 135 W HA 0.678 5.338 4.660 0.001 0.000 0.334 135 W C 0.526 177.066 176.519 0.035 0.000 1.243 135 W CA -1.520 55.867 57.345 0.070 0.000 1.170 135 W CB 0.668 30.267 29.460 0.231 0.000 1.452 135 W HN -0.173 nan 8.180 nan 0.000 0.572 136 G N 1.990 110.891 108.800 0.168 0.000 3.197 136 G HA2 0.283 4.244 3.960 0.001 0.000 0.257 136 G HA3 0.283 4.244 3.960 0.001 0.000 0.257 136 G C -0.014 174.771 174.900 -0.190 0.000 0.835 136 G CA 0.087 45.155 45.100 -0.055 0.000 2.001 136 G HN 0.609 nan 8.290 nan 0.000 0.625 137 T N 0.069 114.221 114.554 -0.670 0.000 2.926 137 T HA 0.141 4.491 4.350 0.001 0.000 0.307 137 T C 1.624 176.120 174.700 -0.340 0.000 1.059 137 T CA -0.155 61.602 62.100 -0.571 0.000 1.122 137 T CB 0.508 68.828 68.868 -0.913 0.000 0.972 137 T HN 0.548 nan 8.240 nan 0.000 0.545 138 K N 3.199 123.341 120.400 -0.429 0.000 2.417 138 K HA 0.046 4.367 4.320 0.001 0.000 0.196 138 K C 0.397 176.694 176.600 -0.504 0.000 1.023 138 K CA 0.413 56.419 56.287 -0.469 0.000 1.122 138 K CB 0.079 32.296 32.500 -0.472 0.000 0.850 138 K HN 0.738 nan 8.250 nan 0.000 0.521 139 Y N 1.039 121.380 120.300 0.068 0.000 2.457 139 Y HA 0.144 4.694 4.550 0.001 0.000 0.263 139 Y C 0.673 176.739 175.900 0.276 0.000 1.164 139 Y CA -0.318 57.901 58.100 0.197 0.000 1.274 139 Y CB 1.185 39.801 38.460 0.259 0.000 1.097 139 Y HN 0.032 nan 8.280 nan 0.000 0.523 140 T N -1.187 113.497 114.554 0.217 0.000 2.957 140 T HA 0.149 4.500 4.350 0.001 0.000 0.336 140 T C -0.672 174.062 174.700 0.057 0.000 1.462 140 T CA -0.631 61.578 62.100 0.182 0.000 1.073 140 T CB 1.241 70.287 68.868 0.297 0.000 1.319 140 T HN -0.075 nan 8.240 nan 0.000 0.485 141 D N 1.606 122.052 120.400 0.077 0.000 2.339 141 D HA 0.146 4.786 4.640 0.001 0.000 0.217 141 D C 0.189 176.565 176.300 0.127 0.000 1.050 141 D CA 0.184 54.217 54.000 0.055 0.000 0.856 141 D CB 0.061 40.896 40.800 0.058 0.000 0.922 141 D HN 0.376 nan 8.370 nan 0.000 0.518 142 F N 3.046 122.979 119.950 -0.027 0.000 2.661 142 F HA 0.175 4.702 4.527 0.001 0.000 0.356 142 F C 0.103 175.730 175.800 -0.289 0.000 1.244 142 F CA -0.803 57.214 58.000 0.027 0.000 1.290 142 F CB -0.891 38.185 39.000 0.126 0.000 1.677 142 F HN -0.137 nan 8.300 nan 0.000 0.649 143 N N -1.360 117.053 118.700 -0.477 0.000 2.732 143 N HA 0.215 4.956 4.740 0.001 0.000 0.259 143 N C 0.275 175.419 175.510 -0.610 0.000 1.402 143 N CA -0.226 52.280 53.050 -0.907 0.000 0.829 143 N CB 0.793 38.941 38.487 -0.565 0.000 1.495 143 N HN -0.081 nan 8.380 nan 0.000 0.511 144 S N -0.897 114.470 115.700 -0.556 0.000 2.447 144 S HA -0.087 4.384 4.470 0.001 0.000 0.233 144 S C 1.340 175.877 174.600 -0.104 0.000 1.006 144 S CA 0.983 59.102 58.200 -0.135 0.000 0.957 144 S CB -0.558 62.564 63.200 -0.131 0.000 0.773 144 S HN 0.361 nan 8.310 nan 0.000 0.507 145 V N 1.507 121.353 119.914 -0.114 0.000 2.488 145 V HA 0.027 4.148 4.120 0.001 0.000 0.246 145 V C 2.581 178.646 176.094 -0.048 0.000 1.046 145 V CA 1.340 63.602 62.300 -0.062 0.000 1.053 145 V CB -0.399 31.398 31.823 -0.042 0.000 0.679 145 V HN 0.365 nan 8.190 nan 0.000 0.458 146 K N -0.208 120.160 120.400 -0.054 0.000 2.243 146 K HA 0.127 4.448 4.320 0.001 0.000 0.201 146 K C 1.123 177.731 176.600 0.015 0.000 1.051 146 K CA 0.591 56.868 56.287 -0.016 0.000 0.970 146 K CB 0.075 32.571 32.500 -0.007 0.000 0.755 146 K HN 0.335 nan 8.250 nan 0.000 0.465 147 R N -1.219 119.304 120.500 0.039 0.000 3.055 147 R HA 0.348 4.688 4.340 0.001 0.000 0.231 147 R C 1.371 177.683 176.300 0.019 0.000 1.443 147 R CA -0.099 56.043 56.100 0.070 0.000 1.063 147 R CB -0.717 29.689 30.300 0.176 0.000 1.514 147 R HN 0.121 nan 8.270 nan 0.000 0.510 148 G N 1.801 110.594 108.800 -0.011 0.000 3.342 148 G HA2 -0.343 3.617 3.960 0.001 0.000 0.298 148 G HA3 -0.343 3.617 3.960 0.001 0.000 0.298 148 G C -1.255 173.535 174.900 -0.182 0.000 1.203 148 G CA 1.529 46.571 45.100 -0.097 0.000 1.202 148 G HN 0.455 nan 8.290 nan 0.000 1.145 149 P HA 0.057 nan 4.420 nan 0.000 0.218 149 P C 0.561 177.762 177.300 -0.166 0.000 1.149 149 P CA 1.511 64.405 63.100 -0.343 0.000 0.817 149 P CB 0.069 31.436 31.700 -0.555 0.000 0.785 150 K N -0.866 119.467 120.400 -0.113 0.000 3.150 150 K HA -0.192 4.128 4.320 0.001 0.000 0.267 150 K C 0.061 176.633 176.600 -0.046 0.000 1.028 150 K CA 0.829 57.081 56.287 -0.059 0.000 0.753 150 K CB -1.957 30.519 32.500 -0.040 0.000 1.288 150 K HN 0.421 nan 8.250 nan 0.000 0.473 151 R N 0.269 120.731 120.500 -0.062 0.000 2.634 151 R HA 0.153 4.493 4.340 0.001 0.000 0.263 151 R C -1.638 174.662 176.300 -0.001 0.000 1.060 151 R CA -0.714 55.377 56.100 -0.015 0.000 0.898 151 R CB 1.244 31.539 30.300 -0.007 0.000 1.253 151 R HN 0.013 nan 8.270 nan 0.000 0.461 152 D N 4.768 125.214 120.400 0.076 0.000 2.470 152 D HA 0.116 4.756 4.640 0.001 0.000 0.226 152 D C 1.107 177.490 176.300 0.139 0.000 1.196 152 D CA -0.061 54.022 54.000 0.137 0.000 0.979 152 D CB 0.500 41.423 40.800 0.205 0.000 1.059 152 D HN 0.528 nan 8.370 nan 0.000 0.515 153 L N 2.562 123.817 121.223 0.054 0.000 2.017 153 L HA -0.167 4.174 4.340 0.001 0.000 0.208 153 L C 2.414 179.407 176.870 0.205 0.000 1.073 153 L CA 0.591 55.429 54.840 -0.003 0.000 0.745 153 L CB -0.439 41.484 42.059 -0.227 0.000 0.894 153 L HN 0.264 nan 8.230 nan 0.000 0.432 154 V N 0.586 120.599 119.914 0.165 0.000 2.255 154 V HA -0.249 3.871 4.120 0.001 0.000 0.247 154 V C 2.662 178.629 176.094 -0.212 0.000 1.051 154 V CA 2.228 64.570 62.300 0.070 0.000 1.018 154 V CB -1.366 30.393 31.823 -0.105 0.000 0.641 154 V HN 0.576 nan 8.190 nan 0.000 0.445 155 G N -0.594 108.044 108.800 -0.270 0.000 2.421 155 G HA2 -0.241 3.719 3.960 0.001 0.000 0.216 155 G HA3 -0.241 3.719 3.960 0.001 0.000 0.216 155 G C 1.243 176.117 174.900 -0.044 0.000 1.171 155 G CA 1.011 46.012 45.100 -0.164 0.000 0.775 155 G HN 0.505 nan 8.290 nan 0.000 0.543 156 D N -0.035 120.424 120.400 0.098 0.000 2.144 156 D HA -0.074 4.567 4.640 0.001 0.000 0.199 156 D C 2.339 178.669 176.300 0.050 0.000 0.984 156 D CA 0.439 54.502 54.000 0.105 0.000 0.834 156 D CB -0.211 40.733 40.800 0.240 0.000 0.955 156 D HN 0.255 nan 8.370 nan 0.000 0.465 157 L N 0.658 122.005 121.223 0.206 0.000 2.109 157 L HA 0.050 4.391 4.340 0.001 0.000 0.207 157 L C 2.050 178.821 176.870 -0.165 0.000 1.086 157 L CA 1.377 56.325 54.840 0.179 0.000 0.760 157 L CB -0.717 41.672 42.059 0.549 0.000 0.910 157 L HN -0.045 nan 8.230 nan 0.000 0.437 158 A N -0.128 122.322 122.820 -0.617 0.000 1.883 158 A HA -0.305 4.016 4.320 0.001 0.000 0.217 158 A C 2.458 179.761 177.584 -0.468 0.000 1.186 158 A CA 2.172 53.469 52.037 -1.232 0.000 0.624 158 A CB -0.704 17.566 19.000 -1.218 0.000 0.822 158 A HN 0.527 nan 8.150 nan 0.000 0.444 159 K N -0.380 119.865 120.400 -0.258 0.000 2.063 159 K HA -0.102 4.218 4.320 0.001 0.000 0.208 159 K C 2.109 178.644 176.600 -0.108 0.000 1.048 159 K CA 1.439 57.647 56.287 -0.132 0.000 0.928 159 K CB -0.362 32.090 32.500 -0.080 0.000 0.713 159 K HN 0.355 nan 8.250 nan 0.000 0.442 160 A N 0.587 123.340 122.820 -0.112 0.000 1.898 160 A HA -0.072 4.249 4.320 0.001 0.000 0.216 160 A C 2.249 179.819 177.584 -0.025 0.000 1.181 160 A CA 1.465 53.450 52.037 -0.087 0.000 0.620 160 A CB -0.599 18.320 19.000 -0.134 0.000 0.819 160 A HN 0.176 nan 8.150 nan 0.000 0.442 161 V N -0.047 119.880 119.914 0.022 0.000 2.332 161 V HA -0.280 3.841 4.120 0.001 0.000 0.248 161 V C 2.671 178.806 176.094 0.069 0.000 1.055 161 V CA 2.381 64.755 62.300 0.123 0.000 1.038 161 V CB -0.771 31.220 31.823 0.279 0.000 0.651 161 V HN 0.528 nan 8.190 nan 0.000 0.450 162 R N -0.407 120.098 120.500 0.009 0.000 2.090 162 R HA -0.103 4.237 4.340 0.001 0.000 0.228 162 R C 2.277 178.570 176.300 -0.011 0.000 1.110 162 R CA 1.267 57.367 56.100 -0.001 0.000 0.973 162 R CB -0.201 30.083 30.300 -0.027 0.000 0.869 162 R HN 0.593 nan 8.270 nan 0.000 0.440 163 E N 0.195 120.381 120.200 -0.023 0.000 2.204 163 E HA -0.111 4.239 4.350 0.001 0.000 0.194 163 E C 1.430 178.021 176.600 -0.016 0.000 0.989 163 E CA 0.985 57.370 56.400 -0.025 0.000 0.824 163 E CB 0.073 29.749 29.700 -0.039 0.000 0.756 163 E HN 0.323 nan 8.360 nan 0.000 0.477 164 A N 0.124 122.942 122.820 -0.003 0.000 2.238 164 A HA 0.261 4.581 4.320 0.001 0.000 0.208 164 A C 1.634 179.225 177.584 0.012 0.000 1.177 164 A CA 0.719 52.760 52.037 0.006 0.000 0.804 164 A CB -0.354 18.660 19.000 0.023 0.000 0.823 164 A HN 0.314 nan 8.150 nan 0.000 0.482 165 G N -1.873 106.931 108.800 0.006 0.000 2.143 165 G HA2 -0.187 3.773 3.960 0.001 0.000 0.249 165 G HA3 -0.187 3.773 3.960 0.001 0.000 0.249 165 G C -0.105 174.798 174.900 0.005 0.000 0.981 165 G CA 0.418 45.517 45.100 -0.001 0.000 0.665 165 G HN 0.356 nan 8.290 nan 0.000 0.528 166 L N 0.346 121.590 121.223 0.036 0.000 2.375 166 L HA 0.694 5.034 4.340 0.001 0.000 0.268 166 L C 1.122 178.020 176.870 0.047 0.000 1.058 166 L CA -0.928 53.946 54.840 0.057 0.000 0.803 166 L CB 0.836 42.964 42.059 0.115 0.000 1.212 166 L HN 0.080 nan 8.230 nan 0.000 0.451 167 R N 0.769 121.276 120.500 0.011 0.000 2.560 167 R HA 0.355 4.696 4.340 0.001 0.000 0.270 167 R C -1.171 175.248 176.300 0.199 0.000 1.074 167 R CA -0.350 55.701 56.100 -0.081 0.000 1.140 167 R CB 0.778 30.752 30.300 -0.544 0.000 1.073 167 R HN 0.407 nan 8.270 nan 0.000 0.527 168 F N -0.052 119.936 119.950 0.063 0.000 2.536 168 F HA 0.521 5.049 4.527 0.001 0.000 0.322 168 F C -0.169 175.772 175.800 0.234 0.000 1.144 168 F CA -0.432 57.664 58.000 0.160 0.000 0.924 168 F CB 1.719 40.797 39.000 0.129 0.000 1.181 168 F HN 0.564 nan 8.300 nan 0.000 0.438 169 G N 3.257 111.893 108.800 -0.274 0.000 2.735 169 G HA2 0.663 4.623 3.960 0.001 0.000 0.301 169 G HA3 0.663 4.623 3.960 0.001 0.000 0.301 169 G C -1.658 173.008 174.900 -0.390 0.000 1.279 169 G CA -0.678 44.371 45.100 -0.085 0.000 1.019 169 G HN 1.055 nan 8.290 nan 0.000 0.497 170 V N -2.241 117.658 119.914 -0.026 0.000 2.709 170 V HA 0.713 4.834 4.120 0.001 0.000 0.308 170 V C -1.237 175.035 176.094 0.296 0.000 1.062 170 V CA -1.294 61.032 62.300 0.043 0.000 0.901 170 V CB 1.218 33.071 31.823 0.051 0.000 1.003 170 V HN 0.833 nan 8.190 nan 0.000 0.425 171 Y N 4.790 125.219 120.300 0.215 0.000 2.342 171 Y HA 0.755 5.306 4.550 0.001 0.000 0.334 171 Y C -1.325 174.766 175.900 0.319 0.000 1.067 171 Y CA -0.771 57.526 58.100 0.328 0.000 1.128 171 Y CB 1.774 40.373 38.460 0.233 0.000 1.200 171 Y HN 0.870 nan 8.280 nan 0.000 0.464 172 Y N 4.193 124.362 120.300 -0.217 0.000 2.396 172 Y HA 0.302 4.853 4.550 0.001 0.000 0.332 172 Y C -0.747 174.960 175.900 -0.321 0.000 1.034 172 Y CA -0.909 57.152 58.100 -0.064 0.000 1.057 172 Y CB 1.950 40.455 38.460 0.075 0.000 1.220 172 Y HN 0.599 nan 8.280 nan 0.000 0.440 173 S N 4.156 119.491 115.700 -0.609 0.000 3.530 173 S HA 0.218 4.689 4.470 0.001 0.000 0.279 173 S C 1.155 175.515 174.600 -0.399 0.000 1.280 173 S CA 0.459 58.410 58.200 -0.414 0.000 0.946 173 S CB -0.698 62.354 63.200 -0.246 0.000 1.501 173 S HN 1.050 nan 8.310 nan 0.000 0.498 174 G N 2.754 111.500 108.800 -0.089 0.000 2.421 174 G HA2 -0.003 3.957 3.960 0.001 0.000 0.217 174 G HA3 -0.003 3.957 3.960 0.001 0.000 0.217 174 G C 1.218 176.072 174.900 -0.077 0.000 1.143 174 G CA 0.486 45.610 45.100 0.039 0.000 0.784 174 G HN 0.709 nan 8.290 nan 0.000 0.541 175 G N -0.496 108.244 108.800 -0.100 0.000 2.683 175 G HA2 0.364 4.324 3.960 0.001 0.000 0.213 175 G HA3 0.364 4.324 3.960 0.001 0.000 0.213 175 G C 0.343 175.087 174.900 -0.260 0.000 1.142 175 G CA -0.044 44.974 45.100 -0.136 0.000 0.793 175 G HN 0.343 nan 8.290 nan 0.000 0.534 176 L N 0.262 121.273 121.223 -0.353 0.000 2.431 176 L HA 0.502 4.843 4.340 0.001 0.000 0.266 176 L C -1.842 174.726 176.870 -0.503 0.000 0.978 176 L CA -0.869 53.660 54.840 -0.519 0.000 0.822 176 L CB 2.899 44.456 42.059 -0.837 0.000 1.310 176 L HN -0.138 nan 8.230 nan 0.000 0.409 177 D N 1.879 121.993 120.400 -0.476 0.000 2.365 177 D HA 0.136 4.777 4.640 0.001 0.000 0.235 177 D C 0.013 176.335 176.300 0.037 0.000 1.368 177 D CA -0.347 53.532 54.000 -0.202 0.000 1.001 177 D CB 1.006 41.825 40.800 0.031 0.000 1.364 177 D HN 0.358 nan 8.370 nan 0.000 0.577 178 W N 2.690 124.015 121.300 0.041 0.000 2.721 178 W HA 0.032 4.692 4.660 0.001 0.000 0.245 178 W C 1.612 178.144 176.519 0.023 0.000 1.276 178 W CA -0.093 57.250 57.345 -0.004 0.000 1.342 178 W CB -0.314 29.114 29.460 -0.053 0.000 1.135 178 W HN 0.346 nan 8.180 nan 0.000 0.654 179 R N -0.539 120.119 120.500 0.263 0.000 2.276 179 R HA -0.018 4.322 4.340 0.001 0.000 0.203 179 R C 0.832 177.037 176.300 -0.160 0.000 1.017 179 R CA 0.618 56.720 56.100 0.003 0.000 1.010 179 R CB -0.788 29.453 30.300 -0.098 0.000 0.900 179 R HN 0.199 nan 8.270 nan 0.000 0.469 180 F N 0.021 119.953 119.950 -0.030 0.000 2.661 180 F HA 0.132 4.660 4.527 0.001 0.000 0.306 180 F C 0.883 176.645 175.800 -0.063 0.000 1.094 180 F CA -0.161 57.794 58.000 -0.074 0.000 1.254 180 F CB 0.536 39.442 39.000 -0.157 0.000 1.040 180 F HN -0.186 nan 8.300 nan 0.000 0.562 181 T N -4.403 110.224 114.554 0.121 0.000 2.883 181 T HA 0.467 4.818 4.350 0.001 0.000 0.296 181 T C 0.607 175.311 174.700 0.006 0.000 1.117 181 T CA 0.055 62.187 62.100 0.054 0.000 1.006 181 T CB 2.024 70.923 68.868 0.052 0.000 1.191 181 T HN -0.018 nan 8.240 nan 0.000 0.508 182 T N -2.627 111.910 114.554 -0.028 0.000 2.987 182 T HA 0.302 4.653 4.350 0.001 0.000 0.248 182 T C 0.407 175.050 174.700 -0.095 0.000 0.997 182 T CA 0.016 62.083 62.100 -0.055 0.000 1.013 182 T CB -0.115 68.731 68.868 -0.037 0.000 1.077 182 T HN 0.636 nan 8.240 nan 0.000 0.483 183 E N 4.189 124.334 120.200 -0.091 0.000 2.313 183 E HA 0.409 4.759 4.350 0.001 0.000 0.276 183 E C -2.422 174.056 176.600 -0.204 0.000 1.031 183 E CA -2.427 53.904 56.400 -0.115 0.000 0.857 183 E CB 0.969 30.634 29.700 -0.058 0.000 1.040 183 E HN 0.255 nan 8.360 nan 0.000 0.408 184 P HA 0.151 nan 4.420 nan 0.000 0.276 184 P C -0.470 176.643 177.300 -0.312 0.000 1.252 184 P CA -0.429 62.464 63.100 -0.346 0.000 0.802 184 P CB 0.738 32.243 31.700 -0.324 0.000 1.035 185 I N 2.583 122.949 120.570 -0.340 0.000 2.396 185 I HA 0.173 4.343 4.170 0.001 0.000 0.289 185 I C 1.736 177.508 176.117 -0.575 0.000 1.056 185 I CA 0.161 61.204 61.300 -0.428 0.000 1.365 185 I CB 0.377 38.120 38.000 -0.429 0.000 1.407 185 I HN 0.460 nan 8.210 nan 0.000 0.509 186 R N 4.237 124.405 120.500 -0.552 0.000 2.316 186 R HA 0.208 4.548 4.340 0.001 0.000 0.201 186 R C -0.630 175.127 176.300 -0.904 0.000 0.888 186 R CA 0.292 55.914 56.100 -0.798 0.000 1.041 186 R CB 0.673 30.578 30.300 -0.659 0.000 1.115 186 R HN 0.469 nan 8.270 nan 0.000 0.559 187 Y N -1.086 119.129 120.300 -0.142 0.000 2.524 187 Y HA 0.279 4.830 4.550 0.001 0.000 0.347 187 Y C -1.938 173.922 175.900 -0.068 0.000 1.005 187 Y CA -2.693 55.447 58.100 0.067 0.000 1.025 187 Y CB 1.852 40.385 38.460 0.120 0.000 1.275 187 Y HN -0.220 nan 8.280 nan 0.000 0.460 188 P HA -0.202 nan 4.420 nan 0.000 0.216 188 P C 0.660 178.019 177.300 0.099 0.000 1.154 188 P CA 1.899 65.127 63.100 0.213 0.000 0.865 188 P CB 0.370 32.214 31.700 0.240 0.000 0.789 189 E N -0.816 119.470 120.200 0.143 0.000 2.204 189 E HA -0.172 4.178 4.350 0.001 0.000 0.195 189 E C 1.580 178.226 176.600 0.077 0.000 0.990 189 E CA 1.038 57.512 56.400 0.124 0.000 0.821 189 E CB -0.850 28.939 29.700 0.148 0.000 0.750 189 E HN 0.316 nan 8.360 nan 0.000 0.477 190 D N 0.153 120.540 120.400 -0.022 0.000 2.218 190 D HA -0.132 4.509 4.640 0.001 0.000 0.204 190 D C 1.613 177.631 176.300 -0.469 0.000 0.976 190 D CA 0.673 54.458 54.000 -0.359 0.000 0.853 190 D CB -0.094 40.523 40.800 -0.305 0.000 0.939 190 D HN 0.238 nan 8.370 nan 0.000 0.481 191 L N 0.902 121.994 121.223 -0.217 0.000 2.353 191 L HA -0.119 4.222 4.340 0.001 0.000 0.220 191 L C 2.263 179.073 176.870 -0.100 0.000 1.133 191 L CA 0.852 55.608 54.840 -0.139 0.000 0.798 191 L CB -0.366 41.679 42.059 -0.025 0.000 0.922 191 L HN 0.045 nan 8.230 nan 0.000 0.445 192 S N -0.713 114.959 115.700 -0.048 0.000 2.522 192 S HA -0.136 4.335 4.470 0.001 0.000 0.227 192 S C 1.412 176.073 174.600 0.103 0.000 0.986 192 S CA 0.757 58.990 58.200 0.056 0.000 0.929 192 S CB -0.193 63.087 63.200 0.133 0.000 0.769 192 S HN 0.685 nan 8.310 nan 0.000 0.529 193 Y N -1.130 119.164 120.300 -0.011 0.000 2.459 193 Y HA 0.551 5.101 4.550 0.001 0.000 0.271 193 Y C 0.283 176.166 175.900 -0.028 0.000 1.063 193 Y CA -1.122 56.966 58.100 -0.019 0.000 1.216 193 Y CB 0.226 38.679 38.460 -0.012 0.000 1.335 193 Y HN 0.099 nan 8.280 nan 0.000 0.550 194 I N 4.754 125.026 120.570 -0.498 0.000 2.241 194 I HA 0.337 4.508 4.170 0.001 0.000 0.294 194 I C -0.418 175.599 176.117 -0.167 0.000 1.145 194 I CA 0.008 61.136 61.300 -0.286 0.000 1.261 194 I CB -0.154 37.628 38.000 -0.363 0.000 1.475 194 I HN 0.185 nan 8.210 nan 0.000 0.533 195 R N 4.840 125.266 120.500 -0.122 0.000 2.781 195 R HA 0.378 4.719 4.340 0.001 0.000 0.269 195 R C -2.151 174.040 176.300 -0.183 0.000 1.025 195 R CA -1.678 54.321 56.100 -0.169 0.000 0.914 195 R CB 0.788 30.992 30.300 -0.160 0.000 1.236 195 R HN -0.032 nan 8.270 nan 0.000 0.465 196 P HA -0.118 nan 4.420 nan 0.000 0.215 196 P C -0.085 177.123 177.300 -0.153 0.000 1.153 196 P CA 1.257 64.150 63.100 -0.345 0.000 0.853 196 P CB 0.272 31.340 31.700 -1.053 0.000 0.788 197 N N -3.555 115.052 118.700 -0.156 0.000 2.946 197 N HA -0.133 4.607 4.740 0.001 0.000 0.228 197 N C 0.140 175.577 175.510 -0.121 0.000 0.873 197 N CA 1.925 54.913 53.050 -0.103 0.000 1.029 197 N CB -2.282 36.170 38.487 -0.058 0.000 1.047 197 N HN 0.364 nan 8.380 nan 0.000 0.612 198 T N -2.875 111.643 114.554 -0.061 0.000 2.874 198 T HA 0.442 4.792 4.350 0.001 0.000 0.281 198 T C 1.275 175.922 174.700 -0.088 0.000 0.994 198 T CA -0.450 61.623 62.100 -0.045 0.000 1.015 198 T CB 0.774 69.702 68.868 0.100 0.000 1.028 198 T HN 0.100 nan 8.240 nan 0.000 0.523 199 Y N -0.084 120.251 120.300 0.057 0.000 2.242 199 Y HA -0.040 4.510 4.550 0.001 0.000 0.291 199 Y C 2.795 178.720 175.900 0.042 0.000 1.137 199 Y CA 1.572 59.695 58.100 0.039 0.000 1.181 199 Y CB -0.248 38.229 38.460 0.028 0.000 0.989 199 Y HN 0.889 nan 8.280 nan 0.000 0.527 200 E N -0.283 120.046 120.200 0.216 0.000 2.058 200 E HA -0.325 4.025 4.350 0.001 0.000 0.194 200 E C 1.994 178.675 176.600 0.136 0.000 0.997 200 E CA 1.623 58.132 56.400 0.182 0.000 0.801 200 E CB -0.485 29.343 29.700 0.213 0.000 0.746 200 E HN 0.566 nan 8.360 nan 0.000 0.450 201 Y N 0.656 120.929 120.300 -0.045 0.000 2.224 201 Y HA -0.140 4.410 4.550 0.001 0.000 0.289 201 Y C 2.082 177.898 175.900 -0.141 0.000 1.146 201 Y CA 1.554 59.489 58.100 -0.274 0.000 1.182 201 Y CB -0.602 37.508 38.460 -0.584 0.000 0.983 201 Y HN 0.176 nan 8.280 nan 0.000 0.524 202 A N 0.140 122.851 122.820 -0.181 0.000 1.883 202 A HA -0.217 4.104 4.320 0.001 0.000 0.217 202 A C 1.979 179.510 177.584 -0.088 0.000 1.186 202 A CA 2.097 54.021 52.037 -0.189 0.000 0.624 202 A CB -0.899 18.091 19.000 -0.016 0.000 0.822 202 A HN 0.509 nan 8.150 nan 0.000 0.444 203 D N -1.698 118.700 120.400 -0.004 0.000 2.104 203 D HA -0.168 4.472 4.640 0.001 0.000 0.194 203 D C 1.709 178.036 176.300 0.046 0.000 0.994 203 D CA 1.657 55.687 54.000 0.050 0.000 0.830 203 D CB -0.531 40.305 40.800 0.060 0.000 0.959 203 D HN 0.581 nan 8.370 nan 0.000 0.452 204 Y N 1.539 121.741 120.300 -0.163 0.000 2.128 204 Y HA -0.223 4.328 4.550 0.001 0.000 0.284 204 Y C 2.230 178.014 175.900 -0.193 0.000 1.154 204 Y CA 1.846 59.840 58.100 -0.177 0.000 1.149 204 Y CB -0.523 37.865 38.460 -0.120 0.000 0.976 204 Y HN -0.044 nan 8.280 nan 0.000 0.505 205 A N -0.622 121.964 122.820 -0.389 0.000 1.902 205 A HA -0.234 4.086 4.320 0.001 0.000 0.217 205 A C 2.187 179.795 177.584 0.040 0.000 1.181 205 A CA 1.653 53.471 52.037 -0.365 0.000 0.623 205 A CB -1.632 16.835 19.000 -0.888 0.000 0.818 205 A HN 0.718 nan 8.150 nan 0.000 0.443 206 Y N 1.025 121.378 120.300 0.087 0.000 2.128 206 Y HA -0.221 4.329 4.550 0.001 0.000 0.284 206 Y C 2.224 178.082 175.900 -0.069 0.000 1.154 206 Y CA 2.361 60.554 58.100 0.154 0.000 1.149 206 Y CB -0.217 38.298 38.460 0.092 0.000 0.976 206 Y HN 0.265 nan 8.280 nan 0.000 0.505 207 K N -0.176 120.133 120.400 -0.151 0.000 2.097 207 K HA -0.200 4.121 4.320 0.001 0.000 0.206 207 K C 2.102 178.523 176.600 -0.298 0.000 1.049 207 K CA 1.771 57.814 56.287 -0.406 0.000 0.933 207 K CB -0.256 31.783 32.500 -0.769 0.000 0.717 207 K HN 0.530 nan 8.250 nan 0.000 0.442 208 Q N 0.450 120.099 119.800 -0.252 0.000 2.123 208 Q HA -0.084 4.256 4.340 0.001 0.000 0.199 208 Q C 2.248 178.168 176.000 -0.133 0.000 0.966 208 Q CA 1.073 56.873 55.803 -0.005 0.000 0.845 208 Q CB 0.027 28.745 28.738 -0.034 0.000 0.907 208 Q HN 0.113 nan 8.270 nan 0.000 0.439 209 V N 0.862 120.584 119.914 -0.321 0.000 2.453 209 V HA -0.235 3.886 4.120 0.001 0.000 0.247 209 V C 2.269 178.226 176.094 -0.227 0.000 1.048 209 V CA 1.205 63.327 62.300 -0.297 0.000 1.049 209 V CB -0.388 31.327 31.823 -0.180 0.000 0.672 209 V HN 0.400 nan 8.190 nan 0.000 0.457 210 M N -0.368 119.038 119.600 -0.323 0.000 2.149 210 M HA -0.206 4.275 4.480 0.001 0.000 0.261 210 M C 2.163 178.408 176.300 -0.091 0.000 1.064 210 M CA 1.665 56.784 55.300 -0.301 0.000 1.102 210 M CB -1.081 31.172 32.600 -0.579 0.000 1.369 210 M HN 0.493 nan 8.290 nan 0.000 0.408 211 E N 0.399 120.588 120.200 -0.018 0.000 2.072 211 E HA -0.151 4.199 4.350 0.001 0.000 0.191 211 E C 2.127 178.717 176.600 -0.016 0.000 0.985 211 E CA 0.834 57.297 56.400 0.106 0.000 0.801 211 E CB 0.056 29.983 29.700 0.378 0.000 0.750 211 E HN 0.451 nan 8.360 nan 0.000 0.452 212 L N 0.121 121.288 121.223 -0.093 0.000 2.093 212 L HA -0.162 4.179 4.340 0.001 0.000 0.208 212 L C 2.464 179.330 176.870 -0.006 0.000 1.085 212 L CA 0.519 55.283 54.840 -0.126 0.000 0.755 212 L CB -0.255 41.674 42.059 -0.216 0.000 0.904 212 L HN 0.088 nan 8.230 nan 0.000 0.435 213 V N -0.172 119.742 119.914 0.000 0.000 2.261 213 V HA -0.292 3.829 4.120 0.001 0.000 0.246 213 V C 2.118 178.271 176.094 0.099 0.000 1.047 213 V CA 1.998 64.356 62.300 0.096 0.000 1.015 213 V CB -0.460 31.452 31.823 0.149 0.000 0.642 213 V HN 0.430 nan 8.190 nan 0.000 0.446 214 D N -0.069 120.379 120.400 0.081 0.000 2.144 214 D HA -0.113 4.527 4.640 0.001 0.000 0.199 214 D C 2.086 178.333 176.300 -0.088 0.000 0.984 214 D CA 1.244 55.272 54.000 0.046 0.000 0.834 214 D CB -0.150 40.695 40.800 0.075 0.000 0.955 214 D HN 0.351 nan 8.370 nan 0.000 0.465 215 L N -1.208 119.855 121.223 -0.267 0.000 2.131 215 L HA -0.070 4.270 4.340 0.001 0.000 0.206 215 L C 1.571 178.067 176.870 -0.622 0.000 1.087 215 L CA 0.886 55.370 54.840 -0.594 0.000 0.767 215 L CB -0.118 41.239 42.059 -1.170 0.000 0.917 215 L HN 0.082 nan 8.230 nan 0.000 0.441 216 Y N -2.495 117.837 120.300 0.054 0.000 2.432 216 Y HA 0.262 4.813 4.550 0.001 0.000 0.252 216 Y C 0.461 176.436 175.900 0.125 0.000 1.097 216 Y CA -1.001 57.148 58.100 0.083 0.000 1.250 216 Y CB 0.629 39.169 38.460 0.135 0.000 1.245 216 Y HN -0.192 nan 8.280 nan 0.000 0.522 217 L N 2.367 123.720 121.223 0.216 0.000 3.965 217 L HA -0.192 4.149 4.340 0.001 0.000 0.499 217 L C -2.749 174.331 176.870 0.351 0.000 1.194 217 L CA -0.606 54.378 54.840 0.240 0.000 0.707 217 L CB -1.190 40.918 42.059 0.082 0.000 1.414 217 L HN -0.023 nan 8.230 nan 0.000 0.802 218 P HA 0.111 nan 4.420 nan 0.000 0.270 218 P C 0.450 178.127 177.300 0.629 0.000 1.223 218 P CA -0.048 63.338 63.100 0.477 0.000 0.785 218 P CB 0.496 32.394 31.700 0.330 0.000 0.923 219 D N -0.376 120.345 120.400 0.536 0.000 2.347 219 D HA 0.059 4.699 4.640 0.001 0.000 0.213 219 D C 0.102 176.792 176.300 0.649 0.000 0.985 219 D CA 0.978 55.338 54.000 0.600 0.000 0.879 219 D CB 0.345 41.320 40.800 0.291 0.000 0.919 219 D HN 0.086 nan 8.370 nan 0.000 0.526 220 V N 1.209 121.435 119.914 0.520 0.000 2.851 220 V HA 0.282 4.403 4.120 0.001 0.000 0.307 220 V C -0.627 175.670 176.094 0.339 0.000 1.129 220 V CA -0.761 61.816 62.300 0.463 0.000 0.932 220 V CB 2.935 35.057 31.823 0.499 0.000 1.024 220 V HN -0.114 nan 8.190 nan 0.000 0.426 221 L N 3.288 124.674 121.223 0.273 0.000 2.295 221 L HA 0.444 4.784 4.340 0.001 0.000 0.281 221 L C -1.245 175.839 176.870 0.357 0.000 1.018 221 L CA -0.078 54.905 54.840 0.238 0.000 0.841 221 L CB 1.443 43.558 42.059 0.093 0.000 1.218 221 L HN 0.756 nan 8.230 nan 0.000 0.424 222 W N 4.829 126.211 121.300 0.137 0.000 2.309 222 W HA 0.286 4.947 4.660 0.001 0.000 0.332 222 W C 0.419 176.794 176.519 -0.240 0.000 0.962 222 W CA -0.296 57.078 57.345 0.049 0.000 1.497 222 W CB 0.997 30.595 29.460 0.230 0.000 1.308 222 W HN 0.447 nan 8.180 nan 0.000 0.384 223 N N 2.714 121.073 118.700 -0.570 0.000 2.445 223 N HA 0.193 4.934 4.740 0.001 0.000 0.264 223 N C -1.104 174.097 175.510 -0.516 0.000 1.227 223 N CA 0.418 53.025 53.050 -0.738 0.000 0.963 223 N CB 0.975 38.482 38.487 -1.633 0.000 1.188 223 N HN 0.288 nan 8.380 nan 0.000 0.491 224 D N 0.786 120.970 120.400 -0.359 0.000 2.661 224 D HA 0.365 5.006 4.640 0.001 0.000 0.228 224 D C -0.418 175.843 176.300 -0.066 0.000 1.183 224 D CA -0.164 53.767 54.000 -0.115 0.000 0.844 224 D CB 0.802 41.652 40.800 0.084 0.000 1.555 224 D HN 0.476 nan 8.370 nan 0.000 0.453 225 M N 0.754 120.362 119.600 0.013 0.000 2.872 225 M HA -0.090 4.391 4.480 0.001 0.000 0.200 225 M C 0.585 176.879 176.300 -0.011 0.000 0.582 225 M CA 1.228 56.533 55.300 0.008 0.000 0.706 225 M CB -2.662 29.904 32.600 -0.056 0.000 2.560 225 M HN 0.928 nan 8.290 nan 0.000 0.476 226 G N -0.549 108.246 108.800 -0.009 0.000 2.795 226 G HA2 -0.168 3.793 3.960 0.001 0.000 0.664 226 G HA3 -0.168 3.793 3.960 0.001 0.000 0.664 226 G C -0.767 174.244 174.900 0.185 0.000 1.381 226 G CA -0.170 44.973 45.100 0.071 0.000 0.853 226 G HN 0.738 nan 8.290 nan 0.000 0.545 227 W N 1.061 122.401 121.300 0.067 0.000 2.606 227 W HA 0.558 5.218 4.660 0.001 0.000 0.332 227 W C -2.140 174.448 176.519 0.116 0.000 1.052 227 W CA -2.008 55.419 57.345 0.137 0.000 1.223 227 W CB 1.945 31.560 29.460 0.259 0.000 1.383 227 W HN 0.518 nan 8.180 nan 0.000 0.524 228 P HA -0.138 nan 4.420 nan 0.000 0.260 228 P C 0.581 177.911 177.300 0.049 0.000 1.172 228 P CA 0.864 63.876 63.100 -0.147 0.000 0.760 228 P CB 0.620 32.164 31.700 -0.260 0.000 0.773 229 E N 3.694 123.927 120.200 0.056 0.000 2.097 229 E HA -0.244 4.106 4.350 0.001 0.000 0.196 229 E C 1.209 177.868 176.600 0.099 0.000 1.000 229 E CA 1.785 58.240 56.400 0.092 0.000 0.804 229 E CB -0.264 29.461 29.700 0.041 0.000 0.740 229 E HN 0.375 nan 8.360 nan 0.000 0.454 230 K N -1.458 118.956 120.400 0.024 0.000 2.442 230 K HA -0.003 4.317 4.320 0.001 0.000 0.198 230 K C 1.624 178.306 176.600 0.136 0.000 1.042 230 K CA 0.887 57.197 56.287 0.037 0.000 0.958 230 K CB 0.095 32.505 32.500 -0.150 0.000 0.766 230 K HN 0.198 nan 8.250 nan 0.000 0.474 231 G N 0.433 109.353 108.800 0.199 0.000 3.159 231 G HA2 -0.036 3.925 3.960 0.001 0.000 0.232 231 G HA3 -0.036 3.925 3.960 0.001 0.000 0.232 231 G C 0.895 176.100 174.900 0.508 0.000 1.116 231 G CA -0.279 45.044 45.100 0.372 0.000 0.767 231 G HN 0.086 nan 8.290 nan 0.000 0.547 232 K N 0.643 121.307 120.400 0.440 0.000 2.113 232 K HA -0.091 4.229 4.320 0.001 0.000 0.208 232 K C 2.053 178.779 176.600 0.209 0.000 1.047 232 K CA 1.097 57.574 56.287 0.317 0.000 0.928 232 K CB 0.061 32.720 32.500 0.264 0.000 0.716 232 K HN 0.097 nan 8.250 nan 0.000 0.446 233 E N 0.997 121.311 120.200 0.190 0.000 2.268 233 E HA -0.148 4.202 4.350 0.001 0.000 0.195 233 E C 1.343 177.959 176.600 0.026 0.000 0.995 233 E CA 0.925 57.397 56.400 0.119 0.000 0.836 233 E CB -0.098 29.671 29.700 0.115 0.000 0.763 233 E HN 0.296 nan 8.360 nan 0.000 0.491 234 D N 0.513 120.946 120.400 0.056 0.000 2.218 234 D HA -0.112 4.529 4.640 0.001 0.000 0.204 234 D C 2.038 178.274 176.300 -0.106 0.000 0.976 234 D CA 0.443 54.458 54.000 0.025 0.000 0.853 234 D CB -0.205 40.569 40.800 -0.043 0.000 0.939 234 D HN 0.227 nan 8.370 nan 0.000 0.481 235 L N 0.475 121.492 121.223 -0.344 0.000 2.191 235 L HA -0.143 4.197 4.340 0.001 0.000 0.212 235 L C 2.243 178.583 176.870 -0.884 0.000 1.103 235 L CA 0.957 55.293 54.840 -0.841 0.000 0.769 235 L CB -0.338 41.031 42.059 -1.151 0.000 0.908 235 L HN -0.011 nan 8.230 nan 0.000 0.438 236 K N -0.291 119.613 120.400 -0.827 0.000 2.063 236 K HA -0.195 4.126 4.320 0.001 0.000 0.208 236 K C 2.056 178.216 176.600 -0.733 0.000 1.048 236 K CA 1.774 57.385 56.287 -1.127 0.000 0.928 236 K CB -0.279 31.310 32.500 -1.518 0.000 0.713 236 K HN 0.246 nan 8.250 nan 0.000 0.442 237 Y N 0.723 120.827 120.300 -0.326 0.000 2.220 237 Y HA -0.122 4.428 4.550 0.001 0.000 0.291 237 Y C 2.269 178.126 175.900 -0.072 0.000 1.129 237 Y CA 0.628 58.637 58.100 -0.151 0.000 1.161 237 Y CB -0.316 38.078 38.460 -0.111 0.000 0.997 237 Y HN -0.018 nan 8.280 nan 0.000 0.522 238 L N -0.767 120.457 121.223 0.001 0.000 2.012 238 L HA -0.236 4.105 4.340 0.001 0.000 0.210 238 L C 2.145 179.019 176.870 0.007 0.000 1.073 238 L CA 1.540 56.350 54.840 -0.049 0.000 0.748 238 L CB -0.413 41.502 42.059 -0.240 0.000 0.891 238 L HN 0.247 nan 8.230 nan 0.000 0.431 239 F N -0.660 119.080 119.950 -0.351 0.000 2.134 239 F HA -0.247 4.280 4.527 0.001 0.000 0.299 239 F C 2.621 178.148 175.800 -0.455 0.000 1.097 239 F CA 0.344 58.004 58.000 -0.566 0.000 1.264 239 F CB -0.422 38.224 39.000 -0.591 0.000 1.001 239 F HN 0.239 nan 8.300 nan 0.000 0.479 240 A N -0.121 122.685 122.820 -0.022 0.000 1.877 240 A HA -0.278 4.043 4.320 0.001 0.000 0.216 240 A C 1.894 179.572 177.584 0.156 0.000 1.186 240 A CA 1.485 53.570 52.037 0.079 0.000 0.620 240 A CB -1.463 17.581 19.000 0.074 0.000 0.822 240 A HN 0.506 nan 8.150 nan 0.000 0.443 241 Y N -1.042 119.285 120.300 0.046 0.000 2.081 241 Y HA -0.342 4.209 4.550 0.001 0.000 0.280 241 Y C 2.253 178.213 175.900 0.100 0.000 1.163 241 Y CA 2.216 60.361 58.100 0.075 0.000 1.135 241 Y CB -0.761 37.736 38.460 0.063 0.000 0.970 241 Y HN 0.470 nan 8.280 nan 0.000 0.498 242 Y N -0.902 119.418 120.300 0.033 0.000 2.070 242 Y HA -0.384 4.166 4.550 0.001 0.000 0.280 242 Y C 2.133 178.006 175.900 -0.044 0.000 1.148 242 Y CA 1.959 60.011 58.100 -0.080 0.000 1.125 242 Y CB -0.732 37.603 38.460 -0.209 0.000 0.975 242 Y HN 0.154 nan 8.280 nan 0.000 0.492 243 Y N 0.694 120.834 120.300 -0.267 0.000 2.224 243 Y HA -0.223 4.327 4.550 0.001 0.000 0.289 243 Y C 2.262 178.122 175.900 -0.066 0.000 1.146 243 Y CA 1.173 59.026 58.100 -0.412 0.000 1.182 243 Y CB -1.018 37.026 38.460 -0.695 0.000 0.983 243 Y HN 0.289 nan 8.280 nan 0.000 0.524 244 N N 0.183 118.996 118.700 0.189 0.000 2.381 244 N HA -0.110 4.631 4.740 0.001 0.000 0.182 244 N C 1.515 177.043 175.510 0.030 0.000 1.025 244 N CA 1.034 54.172 53.050 0.147 0.000 0.888 244 N CB -0.136 38.416 38.487 0.110 0.000 0.965 244 N HN 0.391 nan 8.380 nan 0.000 0.438 245 K N -0.951 119.422 120.400 -0.046 0.000 2.211 245 K HA 0.003 4.324 4.320 0.001 0.000 0.201 245 K C 0.129 176.763 176.600 0.056 0.000 1.052 245 K CA 0.572 56.829 56.287 -0.051 0.000 0.973 245 K CB 0.240 32.659 32.500 -0.135 0.000 0.766 245 K HN 0.083 nan 8.250 nan 0.000 0.466 246 H N 0.191 119.195 119.070 -0.110 0.000 2.651 246 H HA 0.191 4.747 4.556 0.001 0.000 0.252 246 H C -2.458 172.823 175.328 -0.078 0.000 1.365 246 H CA -2.763 53.227 56.048 -0.096 0.000 1.539 246 H CB 0.960 30.641 29.762 -0.136 0.000 1.621 246 H HN -0.120 nan 8.280 nan 0.000 0.526 247 P HA -0.121 nan 4.420 nan 0.000 0.221 247 P C 0.721 178.026 177.300 0.009 0.000 1.145 247 P CA 0.911 64.064 63.100 0.088 0.000 0.795 247 P CB 0.625 32.436 31.700 0.184 0.000 0.775 248 E N -0.095 120.044 120.200 -0.101 0.000 2.476 248 E HA 0.125 4.475 4.350 0.001 0.000 0.191 248 E C 1.336 177.825 176.600 -0.185 0.000 1.064 248 E CA 0.032 56.413 56.400 -0.031 0.000 0.866 248 E CB -0.329 29.499 29.700 0.213 0.000 0.952 248 E HN 0.215 nan 8.360 nan 0.000 0.492 249 G N 1.045 109.454 108.800 -0.653 0.000 2.621 249 G HA2 0.323 4.284 3.960 0.001 0.000 0.271 249 G HA3 0.323 4.284 3.960 0.001 0.000 0.271 249 G C -0.039 174.960 174.900 0.166 0.000 1.236 249 G CA 0.035 44.956 45.100 -0.297 0.000 0.958 249 G HN 0.182 nan 8.290 nan 0.000 0.512 250 S N -2.590 113.352 115.700 0.403 0.000 2.588 250 S HA 0.669 5.139 4.470 0.001 0.000 0.269 250 S C -1.495 173.261 174.600 0.259 0.000 1.157 250 S CA -0.772 57.615 58.200 0.312 0.000 0.824 250 S CB 2.043 65.290 63.200 0.079 0.000 1.126 250 S HN 0.857 nan 8.310 nan 0.000 0.464 251 V N 2.689 122.607 119.914 0.008 0.000 2.760 251 V HA 0.518 4.638 4.120 0.001 0.000 0.309 251 V C -0.309 175.491 176.094 -0.490 0.000 1.077 251 V CA -0.773 61.439 62.300 -0.146 0.000 0.910 251 V CB 2.007 33.497 31.823 -0.555 0.000 1.008 251 V HN 1.119 nan 8.190 nan 0.000 0.424 252 N N 3.236 121.614 118.700 -0.536 0.000 2.332 252 N HA 0.144 4.884 4.740 0.001 0.000 0.285 252 N C 0.027 175.271 175.510 -0.443 0.000 1.292 252 N CA 0.023 52.379 53.050 -1.157 0.000 0.947 252 N CB 0.281 37.985 38.487 -1.304 0.000 1.084 252 N HN 0.704 nan 8.380 nan 0.000 0.529 253 D N -2.391 117.675 120.400 -0.556 0.000 2.670 253 D HA 0.138 4.779 4.640 0.001 0.000 0.255 253 D C -0.209 175.902 176.300 -0.315 0.000 1.286 253 D CA -0.277 53.500 54.000 -0.373 0.000 0.830 253 D CB -0.277 40.025 40.800 -0.829 0.000 1.065 253 D HN 0.482 nan 8.370 nan 0.000 0.486 254 R N 0.018 120.254 120.500 -0.441 0.000 2.696 254 R HA 0.245 4.586 4.340 0.001 0.000 0.355 254 R C -0.128 175.976 176.300 -0.327 0.000 1.138 254 R CA -0.263 55.596 56.100 -0.401 0.000 1.059 254 R CB 0.009 30.002 30.300 -0.511 0.000 1.380 254 R HN 0.165 nan 8.270 nan 0.000 0.578 255 W N -0.579 120.710 121.300 -0.019 0.000 2.907 255 W HA 0.273 4.934 4.660 0.001 0.000 0.271 255 W C 1.341 177.902 176.519 0.069 0.000 1.253 255 W CA 0.348 57.739 57.345 0.077 0.000 1.501 255 W CB 0.451 29.942 29.460 0.052 0.000 1.047 255 W HN 0.268 nan 8.180 nan 0.000 0.610 256 G N 1.341 110.265 108.800 0.206 0.000 2.176 256 G HA2 -0.139 3.822 3.960 0.001 0.000 0.252 256 G HA3 -0.139 3.822 3.960 0.001 0.000 0.252 256 G C -0.141 174.783 174.900 0.040 0.000 1.024 256 G CA 0.241 45.404 45.100 0.105 0.000 0.755 256 G HN 0.503 nan 8.290 nan 0.000 0.507 257 V N -4.623 115.280 119.914 -0.019 0.000 3.155 257 V HA 0.883 5.004 4.120 0.001 0.000 0.313 257 V C -0.786 175.061 176.094 -0.412 0.000 1.162 257 V CA -1.378 60.717 62.300 -0.341 0.000 1.048 257 V CB 1.266 32.734 31.823 -0.592 0.000 1.092 257 V HN -0.062 nan 8.190 nan 0.000 0.447 258 P HA -0.035 nan 4.420 nan 0.000 0.219 258 P C 0.090 177.238 177.300 -0.253 0.000 1.146 258 P CA 1.474 64.279 63.100 -0.491 0.000 0.808 258 P CB -0.142 31.166 31.700 -0.653 0.000 0.779 259 H N -0.356 118.524 119.070 -0.316 0.000 2.472 259 H HA 0.424 4.980 4.556 0.001 0.000 0.335 259 H C -0.709 174.617 175.328 -0.003 0.000 1.136 259 H CA -0.609 55.352 56.048 -0.145 0.000 1.264 259 H CB 0.533 30.375 29.762 0.134 0.000 1.486 259 H HN 0.018 nan 8.280 nan 0.000 0.517 260 W N 3.756 124.471 121.300 -0.975 0.000 3.298 260 W HA 0.219 4.879 4.660 0.001 0.000 0.302 260 W C -1.271 174.819 176.519 -0.716 0.000 1.255 260 W CA -0.613 56.293 57.345 -0.731 0.000 1.196 260 W CB 0.656 29.876 29.460 -0.401 0.000 1.364 260 W HN 0.455 nan 8.180 nan 0.000 0.566 261 D N 1.061 121.349 120.400 -0.188 0.000 2.324 261 D HA 0.111 4.751 4.640 0.001 0.000 0.212 261 D C 0.161 176.661 176.300 0.333 0.000 0.984 261 D CA 1.301 55.286 54.000 -0.024 0.000 0.885 261 D CB 0.749 41.567 40.800 0.030 0.000 0.996 261 D HN 0.235 nan 8.370 nan 0.000 0.505 262 F N -0.776 119.376 119.950 0.338 0.000 2.631 262 F HA 0.532 5.059 4.527 0.001 0.000 0.308 262 F C -0.503 175.325 175.800 0.046 0.000 1.097 262 F CA -1.374 56.820 58.000 0.323 0.000 0.952 262 F CB 1.253 40.345 39.000 0.154 0.000 1.307 262 F HN -0.522 nan 8.300 nan 0.000 0.450 263 K N 0.731 121.199 120.400 0.113 0.000 2.109 263 K HA 0.701 5.022 4.320 0.001 0.000 0.243 263 K C -0.587 176.157 176.600 0.240 0.000 1.006 263 K CA -0.641 55.509 56.287 -0.229 0.000 0.917 263 K CB 1.808 34.075 32.500 -0.389 0.000 1.081 263 K HN 0.912 nan 8.250 nan 0.000 0.468 264 T N -1.966 112.637 114.554 0.083 0.000 2.893 264 T HA 0.795 5.146 4.350 0.001 0.000 0.291 264 T C -0.919 173.933 174.700 0.254 0.000 1.028 264 T CA -1.000 61.265 62.100 0.276 0.000 0.995 264 T CB 1.899 70.853 68.868 0.145 0.000 1.051 264 T HN 0.607 nan 8.240 nan 0.000 0.470 265 A N 1.595 124.654 122.820 0.398 0.000 2.587 265 A HA 0.841 5.162 4.320 0.001 0.000 0.293 265 A C -1.047 176.812 177.584 0.458 0.000 1.087 265 A CA -0.949 51.310 52.037 0.371 0.000 0.692 265 A CB 1.599 20.815 19.000 0.359 0.000 1.291 265 A HN 0.897 nan 8.150 nan 0.000 0.407 266 E N -0.626 119.831 120.200 0.429 0.000 2.445 266 E HA 0.396 4.747 4.350 0.001 0.000 0.273 266 E C -0.348 176.641 176.600 0.648 0.000 0.961 266 E CA -0.856 55.808 56.400 0.439 0.000 0.807 266 E CB 0.837 30.807 29.700 0.450 0.000 1.362 266 E HN 0.560 nan 8.360 nan 0.000 0.453 267 Y N 1.339 122.096 120.300 0.761 0.000 2.040 267 Y HA -0.299 4.252 4.550 0.001 0.000 0.275 267 Y C 2.595 178.710 175.900 0.358 0.000 1.171 267 Y CA 2.345 60.740 58.100 0.492 0.000 1.123 267 Y CB -0.694 37.967 38.460 0.335 0.000 0.963 267 Y HN 0.665 nan 8.280 nan 0.000 0.493 268 H N -1.453 117.824 119.070 0.345 0.000 2.524 268 H HA 0.174 4.731 4.556 0.001 0.000 0.282 268 H C -0.188 175.238 175.328 0.164 0.000 1.016 268 H CA 0.997 57.159 56.048 0.191 0.000 1.270 268 H CB -0.908 28.915 29.762 0.102 0.000 1.394 268 H HN 0.143 nan 8.280 nan 0.000 0.568 269 V N 2.373 122.080 119.914 -0.345 0.000 2.483 269 V HA 0.167 4.287 4.120 0.001 0.000 0.297 269 V C 0.159 176.236 176.094 -0.028 0.000 1.027 269 V CA -0.853 61.282 62.300 -0.276 0.000 0.855 269 V CB 1.570 33.109 31.823 -0.474 0.000 0.995 269 V HN 0.399 nan 8.190 nan 0.000 0.424 270 N N 1.790 120.475 118.700 -0.024 0.000 2.778 270 N HA -0.256 4.485 4.740 0.001 0.000 0.249 270 N C -0.184 175.284 175.510 -0.069 0.000 1.069 270 N CA 1.012 54.037 53.050 -0.041 0.000 0.831 270 N CB -0.894 37.557 38.487 -0.059 0.000 1.142 270 N HN 0.826 nan 8.380 nan 0.000 0.573 271 Y N 3.073 123.343 120.300 -0.051 0.000 2.537 271 Y HA 0.171 4.721 4.550 0.001 0.000 0.339 271 Y C -1.339 174.434 175.900 -0.212 0.000 1.066 271 Y CA -1.040 56.997 58.100 -0.106 0.000 1.357 271 Y CB 0.631 39.108 38.460 0.029 0.000 1.175 271 Y HN 0.061 nan 8.280 nan 0.000 0.525 272 P HA 0.150 nan 4.420 nan 0.000 0.274 272 P C 0.113 177.423 177.300 0.017 0.000 1.231 272 P CA -0.135 62.795 63.100 -0.282 0.000 0.790 272 P CB 1.610 32.948 31.700 -0.604 0.000 0.951 273 G N 0.294 109.099 108.800 0.009 0.000 2.656 273 G HA2 0.041 4.001 3.960 0.001 0.000 0.211 273 G HA3 0.041 4.001 3.960 0.001 0.000 0.211 273 G C 0.236 175.157 174.900 0.034 0.000 1.137 273 G CA 0.416 45.547 45.100 0.051 0.000 0.802 273 G HN 0.586 nan 8.290 nan 0.000 0.527 274 D N -1.607 118.788 120.400 -0.007 0.000 2.958 274 D HA 0.404 5.044 4.640 0.001 0.000 0.306 274 D C -0.465 175.818 176.300 -0.030 0.000 1.226 274 D CA -0.787 53.215 54.000 0.002 0.000 1.032 274 D CB 0.586 41.384 40.800 -0.004 0.000 1.400 274 D HN -0.106 nan 8.370 nan 0.000 0.587 275 L N 1.684 122.897 121.223 -0.016 0.000 2.456 275 L HA 0.377 4.718 4.340 0.001 0.000 0.277 275 L C -1.794 175.018 176.870 -0.096 0.000 1.124 275 L CA -1.165 53.658 54.840 -0.028 0.000 0.880 275 L CB -0.145 41.913 42.059 -0.001 0.000 1.192 275 L HN 0.278 nan 8.230 nan 0.000 0.463 276 P HA 0.293 nan 4.420 nan 0.000 0.281 276 P C 0.499 177.634 177.300 -0.275 0.000 1.281 276 P CA -0.521 62.361 63.100 -0.363 0.000 0.811 276 P CB 0.944 32.116 31.700 -0.880 0.000 1.154 277 G N -0.444 108.241 108.800 -0.191 0.000 3.820 277 G HA2 0.407 4.368 3.960 0.001 0.000 0.293 277 G HA3 0.407 4.368 3.960 0.001 0.000 0.293 277 G C -0.808 174.162 174.900 0.116 0.000 1.152 277 G CA -0.051 45.049 45.100 0.000 0.000 0.921 277 G HN 0.511 nan 8.290 nan 0.000 0.544 278 Y N -3.035 117.389 120.300 0.208 0.000 2.597 278 Y HA 0.758 5.308 4.550 0.001 0.000 0.340 278 Y C -0.479 175.655 175.900 0.390 0.000 1.097 278 Y CA -2.441 55.832 58.100 0.288 0.000 1.037 278 Y CB 0.953 39.655 38.460 0.403 0.000 1.305 278 Y HN -0.143 nan 8.280 nan 0.000 0.463 279 K N 3.120 123.855 120.400 0.559 0.000 2.350 279 K HA 0.331 4.651 4.320 0.001 0.000 0.279 279 K C -1.021 176.036 176.600 0.761 0.000 1.027 279 K CA -0.247 56.346 56.287 0.511 0.000 0.969 279 K CB 0.267 33.021 32.500 0.423 0.000 0.954 279 K HN 0.789 nan 8.250 nan 0.000 0.474 280 W N 1.975 123.482 121.300 0.345 0.000 3.039 280 W HA 0.594 5.254 4.660 0.001 0.000 0.354 280 W C -1.342 175.357 176.519 0.299 0.000 1.206 280 W CA -0.855 56.710 57.345 0.367 0.000 1.134 280 W CB 0.631 30.247 29.460 0.261 0.000 1.493 280 W HN 0.625 nan 8.180 nan 0.000 0.591 281 E N 1.019 121.462 120.200 0.405 0.000 2.304 281 E HA 0.407 4.757 4.350 0.001 0.000 0.277 281 E C -2.304 174.530 176.600 0.389 0.000 0.898 281 E CA -0.623 55.871 56.400 0.157 0.000 0.764 281 E CB 2.724 32.613 29.700 0.316 0.000 1.216 281 E HN 0.295 nan 8.360 nan 0.000 0.419 282 F N 3.103 123.088 119.950 0.058 0.000 2.404 282 F HA 0.532 5.059 4.527 0.001 0.000 0.339 282 F C -0.515 175.423 175.800 0.231 0.000 1.105 282 F CA -0.048 58.095 58.000 0.238 0.000 1.087 282 F CB 1.851 40.974 39.000 0.206 0.000 1.143 282 F HN 0.306 nan 8.300 nan 0.000 0.491 283 T N 6.456 120.727 114.554 -0.472 0.000 2.893 283 T HA 0.787 5.137 4.350 0.001 0.000 0.293 283 T C -1.197 173.185 174.700 -0.531 0.000 1.027 283 T CA -0.610 61.318 62.100 -0.286 0.000 0.988 283 T CB 0.919 69.919 68.868 0.220 0.000 1.043 283 T HN 0.994 nan 8.240 nan 0.000 0.461 284 R N 1.508 121.864 120.500 -0.240 0.000 2.728 284 R HA 0.706 5.046 4.340 0.001 0.000 0.274 284 R C -0.358 175.860 176.300 -0.136 0.000 1.032 284 R CA -1.248 54.758 56.100 -0.156 0.000 0.866 284 R CB 0.375 30.490 30.300 -0.307 0.000 1.263 284 R HN 0.765 nan 8.270 nan 0.000 0.475 285 G N 0.289 108.814 108.800 -0.458 0.000 2.502 285 G HA2 0.403 4.363 3.960 0.001 0.000 0.305 285 G HA3 0.403 4.363 3.960 0.001 0.000 0.305 285 G C 0.595 175.372 174.900 -0.205 0.000 1.190 285 G CA -1.135 43.693 45.100 -0.452 0.000 0.933 285 G HN 0.567 nan 8.290 nan 0.000 0.503 286 I N 0.492 120.977 120.570 -0.142 0.000 2.394 286 I HA 0.002 4.172 4.170 0.001 0.000 0.251 286 I C 1.971 178.045 176.117 -0.071 0.000 1.136 286 I CA 1.170 62.429 61.300 -0.068 0.000 1.425 286 I CB -0.205 37.769 38.000 -0.044 0.000 1.079 286 I HN 0.514 nan 8.210 nan 0.000 0.425 287 G N -0.145 108.580 108.800 -0.125 0.000 2.890 287 G HA2 0.464 4.425 3.960 0.001 0.000 0.189 287 G HA3 0.464 4.425 3.960 0.001 0.000 0.189 287 G C 0.339 175.150 174.900 -0.149 0.000 1.342 287 G CA -0.503 44.536 45.100 -0.101 0.000 1.026 287 G HN 0.071 nan 8.290 nan 0.000 0.579 288 L N 0.029 121.172 121.223 -0.134 0.000 2.607 288 L HA 0.290 4.631 4.340 0.001 0.000 0.228 288 L C 1.236 178.036 176.870 -0.117 0.000 1.123 288 L CA 0.171 54.956 54.840 -0.092 0.000 0.890 288 L CB 0.547 42.572 42.059 -0.058 0.000 1.103 288 L HN 0.354 nan 8.230 nan 0.000 0.468 289 S N -1.703 113.835 115.700 -0.269 0.000 2.726 289 S HA 0.517 4.987 4.470 0.001 0.000 0.308 289 S C 0.283 174.485 174.600 -0.664 0.000 1.115 289 S CA -0.519 57.513 58.200 -0.280 0.000 0.965 289 S CB 1.204 64.304 63.200 -0.165 0.000 1.145 289 S HN 0.055 nan 8.310 nan 0.000 0.532 290 F N 1.009 120.650 119.950 -0.514 0.000 2.419 290 F HA 0.370 4.898 4.527 0.001 0.000 0.283 290 F C 1.815 177.420 175.800 -0.325 0.000 1.044 290 F CA 0.352 57.966 58.000 -0.644 0.000 1.376 290 F CB -0.706 37.474 39.000 -1.366 0.000 1.131 290 F HN 0.675 nan 8.300 nan 0.000 0.585 291 G N -0.888 107.880 108.800 -0.054 0.000 2.569 291 G HA2 0.082 4.043 3.960 0.001 0.000 0.249 291 G HA3 0.082 4.043 3.960 0.001 0.000 0.249 291 G C -1.152 173.842 174.900 0.155 0.000 1.216 291 G CA -0.322 44.879 45.100 0.168 0.000 0.845 291 G HN 0.125 nan 8.290 nan 0.000 0.568 292 Y N 1.396 121.766 120.300 0.116 0.000 2.895 292 Y HA 0.028 4.578 4.550 0.001 0.000 0.334 292 Y C 0.163 176.079 175.900 0.027 0.000 1.261 292 Y CA -0.115 58.019 58.100 0.056 0.000 1.560 292 Y CB 0.424 38.939 38.460 0.092 0.000 1.253 292 Y HN 0.456 nan 8.280 nan 0.000 0.582 293 N N 5.597 123.979 118.700 -0.530 0.000 2.573 293 N HA 0.178 4.918 4.740 0.001 0.000 0.262 293 N C 0.469 175.524 175.510 -0.759 0.000 1.029 293 N CA -0.681 52.006 53.050 -0.605 0.000 0.882 293 N CB 0.660 38.912 38.487 -0.391 0.000 1.204 293 N HN 0.797 nan 8.380 nan 0.000 0.519 294 R N 2.264 122.212 120.500 -0.919 0.000 2.241 294 R HA 0.015 4.355 4.340 0.001 0.000 0.224 294 R C -0.076 176.081 176.300 -0.238 0.000 1.101 294 R CA 0.872 56.703 56.100 -0.447 0.000 0.995 294 R CB -0.127 30.080 30.300 -0.155 0.000 0.870 294 R HN 0.291 nan 8.270 nan 0.000 0.463 295 N N 1.101 119.581 118.700 -0.368 0.000 2.467 295 N HA -0.010 4.730 4.740 0.001 0.000 0.184 295 N C -0.389 174.941 175.510 -0.299 0.000 1.106 295 N CA 0.478 53.324 53.050 -0.341 0.000 0.892 295 N CB 0.232 38.375 38.487 -0.573 0.000 0.969 295 N HN 0.469 nan 8.380 nan 0.000 0.454 296 E N 0.030 120.063 120.200 -0.277 0.000 2.283 296 E HA 0.425 4.776 4.350 0.001 0.000 0.278 296 E C 0.371 177.032 176.600 0.101 0.000 1.027 296 E CA -0.425 55.871 56.400 -0.173 0.000 0.843 296 E CB 1.273 30.864 29.700 -0.181 0.000 1.062 296 E HN 0.135 nan 8.360 nan 0.000 0.401 297 G N 2.087 111.122 108.800 0.392 0.000 2.820 297 G HA2 0.265 4.226 3.960 0.001 0.000 0.291 297 G HA3 0.265 4.226 3.960 0.001 0.000 0.291 297 G C -1.868 173.076 174.900 0.073 0.000 1.323 297 G CA -1.135 44.056 45.100 0.152 0.000 1.055 297 G HN 0.305 nan 8.290 nan 0.000 0.520 298 P HA -0.132 nan 4.420 nan 0.000 0.219 298 P C 1.320 178.571 177.300 -0.082 0.000 1.146 298 P CA 1.236 64.319 63.100 -0.028 0.000 0.808 298 P CB 0.170 31.852 31.700 -0.029 0.000 0.779 299 E N -0.284 119.809 120.200 -0.179 0.000 2.409 299 E HA -0.187 4.164 4.350 0.001 0.000 0.198 299 E C 0.989 177.374 176.600 -0.358 0.000 1.024 299 E CA 1.033 57.262 56.400 -0.284 0.000 0.861 299 E CB -1.034 28.444 29.700 -0.369 0.000 0.788 299 E HN 0.477 nan 8.360 nan 0.000 0.521 300 H N -0.339 118.697 119.070 -0.056 0.000 2.652 300 H HA 0.395 4.951 4.556 0.001 0.000 0.274 300 H C 0.410 175.703 175.328 -0.059 0.000 1.021 300 H CA -0.019 55.990 56.048 -0.066 0.000 1.187 300 H CB 0.389 30.098 29.762 -0.088 0.000 1.505 300 H HN 0.130 nan 8.280 nan 0.000 0.530 301 M N 0.880 120.497 119.600 0.029 0.000 2.664 301 M HA 0.330 4.810 4.480 0.001 0.000 0.314 301 M C -0.347 175.945 176.300 -0.014 0.000 1.200 301 M CA -0.763 54.541 55.300 0.006 0.000 0.916 301 M CB 2.860 35.461 32.600 0.002 0.000 1.717 301 M HN -0.110 nan 8.290 nan 0.000 0.470 302 L N 1.234 122.451 121.223 -0.011 0.000 2.439 302 L HA 0.261 4.602 4.340 0.001 0.000 0.269 302 L C 0.575 177.414 176.870 -0.051 0.000 1.179 302 L CA -0.358 54.468 54.840 -0.022 0.000 0.828 302 L CB 0.915 42.971 42.059 -0.004 0.000 1.106 302 L HN 0.816 nan 8.230 nan 0.000 0.467 303 S N 1.287 116.940 115.700 -0.078 0.000 2.645 303 S HA 0.211 4.681 4.470 0.001 0.000 0.266 303 S C 1.120 175.638 174.600 -0.137 0.000 1.258 303 S CA -0.967 57.175 58.200 -0.097 0.000 0.990 303 S CB 1.521 64.656 63.200 -0.108 0.000 0.967 303 S HN 0.327 nan 8.310 nan 0.000 0.556 304 V N 1.498 121.332 119.914 -0.133 0.000 2.332 304 V HA -0.188 3.932 4.120 0.001 0.000 0.248 304 V C 2.612 178.526 176.094 -0.301 0.000 1.055 304 V CA 2.432 64.633 62.300 -0.164 0.000 1.038 304 V CB -1.378 30.382 31.823 -0.105 0.000 0.651 304 V HN 0.874 nan 8.190 nan 0.000 0.450 305 E N -0.084 119.901 120.200 -0.359 0.000 2.051 305 E HA -0.250 4.101 4.350 0.001 0.000 0.192 305 E C 2.304 178.360 176.600 -0.906 0.000 0.991 305 E CA 1.449 57.450 56.400 -0.664 0.000 0.799 305 E CB -0.304 29.061 29.700 -0.559 0.000 0.748 305 E HN 0.662 nan 8.360 nan 0.000 0.449 306 Q N -0.005 119.493 119.800 -0.502 0.000 2.170 306 Q HA -0.114 4.227 4.340 0.001 0.000 0.203 306 Q C 2.252 178.120 176.000 -0.220 0.000 0.976 306 Q CA 0.904 56.536 55.803 -0.286 0.000 0.858 306 Q CB -0.119 28.551 28.738 -0.114 0.000 0.907 306 Q HN 0.298 nan 8.270 nan 0.000 0.433 307 L N -0.324 120.751 121.223 -0.245 0.000 2.056 307 L HA -0.179 4.161 4.340 0.001 0.000 0.207 307 L C 2.325 178.996 176.870 -0.332 0.000 1.078 307 L CA 0.742 55.455 54.840 -0.211 0.000 0.749 307 L CB -0.407 41.535 42.059 -0.196 0.000 0.901 307 L HN 0.089 nan 8.230 nan 0.000 0.433 308 V N -0.830 118.774 119.914 -0.516 0.000 2.295 308 V HA -0.349 3.772 4.120 0.001 0.000 0.246 308 V C 2.191 177.982 176.094 -0.505 0.000 1.049 308 V CA 1.930 63.769 62.300 -0.767 0.000 1.024 308 V CB -0.723 30.393 31.823 -1.178 0.000 0.648 308 V HN 0.375 nan 8.190 nan 0.000 0.447 309 Y N 0.231 120.281 120.300 -0.417 0.000 2.181 309 Y HA -0.259 4.292 4.550 0.001 0.000 0.288 309 Y C 2.874 178.650 175.900 -0.206 0.000 1.146 309 Y CA 1.192 59.116 58.100 -0.293 0.000 1.164 309 Y CB -0.626 37.715 38.460 -0.199 0.000 0.982 309 Y HN 0.248 nan 8.280 nan 0.000 0.515 310 T N 0.870 115.426 114.554 0.003 0.000 2.652 310 T HA -0.221 4.130 4.350 0.001 0.000 0.267 310 T C 1.870 176.558 174.700 -0.021 0.000 1.039 310 T CA 1.461 63.575 62.100 0.024 0.000 1.153 310 T CB -0.621 68.302 68.868 0.093 0.000 0.863 310 T HN 0.181 nan 8.240 nan 0.000 0.428 311 L N 1.306 122.456 121.223 -0.123 0.000 2.042 311 L HA -0.059 4.282 4.340 0.001 0.000 0.210 311 L C 2.412 179.198 176.870 -0.140 0.000 1.076 311 L CA 1.532 56.275 54.840 -0.163 0.000 0.749 311 L CB -0.708 41.159 42.059 -0.320 0.000 0.893 311 L HN 0.077 nan 8.230 nan 0.000 0.432 312 V N -0.130 119.680 119.914 -0.173 0.000 2.295 312 V HA -0.317 3.804 4.120 0.001 0.000 0.246 312 V C 2.319 178.376 176.094 -0.062 0.000 1.049 312 V CA 2.037 64.263 62.300 -0.123 0.000 1.024 312 V CB -0.786 30.945 31.823 -0.154 0.000 0.648 312 V HN 0.592 nan 8.190 nan 0.000 0.447 313 D N -0.204 120.174 120.400 -0.036 0.000 2.104 313 D HA -0.166 4.475 4.640 0.001 0.000 0.194 313 D C 2.046 178.398 176.300 0.087 0.000 0.994 313 D CA 1.569 55.587 54.000 0.029 0.000 0.830 313 D CB -0.066 40.766 40.800 0.054 0.000 0.959 313 D HN 0.177 nan 8.370 nan 0.000 0.452 314 V N -0.172 119.775 119.914 0.056 0.000 2.255 314 V HA -0.236 3.885 4.120 0.001 0.000 0.247 314 V C 2.559 178.597 176.094 -0.092 0.000 1.051 314 V CA 1.464 63.757 62.300 -0.011 0.000 1.018 314 V CB -0.434 31.338 31.823 -0.085 0.000 0.641 314 V HN 0.191 nan 8.190 nan 0.000 0.445 315 V N 0.889 120.749 119.914 -0.090 0.000 2.407 315 V HA -0.208 3.913 4.120 0.001 0.000 0.248 315 V C 2.642 178.736 176.094 -0.000 0.000 1.055 315 V CA 2.156 64.405 62.300 -0.086 0.000 1.049 315 V CB -0.747 31.027 31.823 -0.081 0.000 0.662 315 V HN 0.779 nan 8.190 nan 0.000 0.455 316 S N -0.305 115.421 115.700 0.042 0.000 2.474 316 S HA -0.129 4.342 4.470 0.001 0.000 0.235 316 S C 1.611 176.302 174.600 0.152 0.000 0.997 316 S CA 0.995 59.259 58.200 0.107 0.000 0.949 316 S CB -0.326 62.929 63.200 0.092 0.000 0.766 316 S HN 0.652 nan 8.310 nan 0.000 0.517 317 K N 0.395 120.899 120.400 0.173 0.000 2.397 317 K HA 0.344 4.664 4.320 0.001 0.000 0.202 317 K C 1.018 177.836 176.600 0.363 0.000 1.022 317 K CA 0.309 56.758 56.287 0.270 0.000 1.141 317 K CB 0.285 33.007 32.500 0.369 0.000 0.857 317 K HN 0.486 nan 8.250 nan 0.000 0.514 318 G N 0.812 109.712 108.800 0.167 0.000 2.157 318 G HA2 -0.232 3.728 3.960 0.001 0.000 0.248 318 G HA3 -0.232 3.728 3.960 0.001 0.000 0.248 318 G C 0.330 175.063 174.900 -0.278 0.000 0.979 318 G CA -0.124 45.022 45.100 0.078 0.000 0.650 318 G HN 0.488 nan 8.290 nan 0.000 0.529 319 G N -0.808 107.554 108.800 -0.730 0.000 2.511 319 G HA2 0.591 4.552 3.960 0.001 0.000 0.316 319 G HA3 0.591 4.552 3.960 0.001 0.000 0.316 319 G C -0.487 173.976 174.900 -0.728 0.000 1.210 319 G CA -0.532 43.665 45.100 -1.505 0.000 0.969 319 G HN 0.249 nan 8.290 nan 0.000 0.492 320 N N -1.350 116.985 118.700 -0.608 0.000 2.384 320 N HA 0.516 5.257 4.740 0.001 0.000 0.301 320 N C -1.051 174.360 175.510 -0.165 0.000 1.133 320 N CA -0.610 52.242 53.050 -0.329 0.000 0.853 320 N CB 2.110 40.350 38.487 -0.411 0.000 1.241 320 N HN 0.378 nan 8.380 nan 0.000 0.502 321 L N 1.732 122.958 121.223 0.005 0.000 2.282 321 L HA 0.554 4.895 4.340 0.001 0.000 0.288 321 L C -1.301 175.648 176.870 0.132 0.000 1.033 321 L CA -0.631 54.287 54.840 0.131 0.000 0.807 321 L CB 0.807 42.959 42.059 0.156 0.000 1.209 321 L HN 0.403 nan 8.230 nan 0.000 0.423 322 L N 6.324 127.577 121.223 0.049 0.000 2.297 322 L HA 0.475 4.816 4.340 0.001 0.000 0.277 322 L C -1.122 175.748 176.870 0.001 0.000 1.040 322 L CA -0.334 54.438 54.840 -0.113 0.000 0.867 322 L CB 0.921 42.844 42.059 -0.227 0.000 1.244 322 L HN 0.695 nan 8.230 nan 0.000 0.433 323 L N 4.771 126.036 121.223 0.071 0.000 2.281 323 L HA 0.414 4.754 4.340 0.001 0.000 0.285 323 L C -0.033 176.884 176.870 0.079 0.000 1.074 323 L CA 0.211 55.125 54.840 0.122 0.000 0.817 323 L CB 0.805 43.020 42.059 0.261 0.000 1.168 323 L HN 0.754 nan 8.230 nan 0.000 0.434 324 N N 3.463 122.230 118.700 0.112 0.000 2.499 324 N HA 0.451 5.191 4.740 0.001 0.000 0.281 324 N C -1.279 174.214 175.510 -0.028 0.000 1.098 324 N CA -0.435 52.676 53.050 0.101 0.000 0.979 324 N CB 1.089 39.668 38.487 0.154 0.000 1.121 324 N HN 0.414 nan 8.380 nan 0.000 0.466 325 V N 1.709 121.593 119.914 -0.050 0.000 2.513 325 V HA 0.654 4.775 4.120 0.001 0.000 0.299 325 V C 0.624 176.684 176.094 -0.058 0.000 1.035 325 V CA -0.812 61.436 62.300 -0.087 0.000 0.889 325 V CB 1.644 33.372 31.823 -0.158 0.000 0.988 325 V HN 0.842 nan 8.190 nan 0.000 0.440 326 G N 5.096 113.880 108.800 -0.026 0.000 2.955 326 G HA2 0.633 4.593 3.960 0.001 0.000 0.336 326 G HA3 0.633 4.593 3.960 0.001 0.000 0.336 326 G C -2.956 171.978 174.900 0.057 0.000 1.264 326 G CA -1.291 43.854 45.100 0.075 0.000 1.096 326 G HN 0.495 nan 8.290 nan 0.000 0.486 327 P HA 0.238 nan 4.420 nan 0.000 0.276 327 P C 0.183 177.498 177.300 0.025 0.000 1.252 327 P CA -0.417 62.599 63.100 -0.140 0.000 0.802 327 P CB 1.230 32.672 31.700 -0.431 0.000 1.035 328 K N 0.017 120.348 120.400 -0.114 0.000 2.102 328 K HA 0.276 4.596 4.320 0.001 0.000 0.244 328 K C 1.853 178.678 176.600 0.375 0.000 1.021 328 K CA -0.129 56.093 56.287 -0.108 0.000 0.913 328 K CB -0.068 32.272 32.500 -0.266 0.000 1.062 328 K HN 0.511 nan 8.250 nan 0.000 0.485 329 G N 1.195 110.171 108.800 0.293 0.000 2.450 329 G HA2 -0.255 3.705 3.960 0.001 0.000 0.220 329 G HA3 -0.255 3.705 3.960 0.001 0.000 0.220 329 G C 0.857 176.044 174.900 0.479 0.000 1.130 329 G CA 1.146 46.468 45.100 0.371 0.000 0.760 329 G HN 0.817 nan 8.290 nan 0.000 0.557 330 D N -0.689 119.910 120.400 0.333 0.000 2.349 330 D HA 0.213 4.854 4.640 0.001 0.000 0.224 330 D C 1.680 178.204 176.300 0.374 0.000 1.029 330 D CA 0.653 54.822 54.000 0.282 0.000 0.879 330 D CB -0.543 40.365 40.800 0.180 0.000 0.906 330 D HN 0.511 nan 8.370 nan 0.000 0.528 331 G N -0.046 109.088 108.800 0.556 0.000 2.157 331 G HA2 -0.242 3.719 3.960 0.001 0.000 0.239 331 G HA3 -0.242 3.719 3.960 0.001 0.000 0.239 331 G C 0.404 175.599 174.900 0.492 0.000 0.982 331 G CA 0.438 45.877 45.100 0.565 0.000 0.650 331 G HN 0.772 nan 8.290 nan 0.000 0.527 332 T N -1.028 113.704 114.554 0.297 0.000 2.934 332 T HA 0.740 5.091 4.350 0.001 0.000 0.283 332 T C 0.328 175.071 174.700 0.071 0.000 1.005 332 T CA -0.841 61.385 62.100 0.211 0.000 1.041 332 T CB 2.333 71.261 68.868 0.100 0.000 1.042 332 T HN 0.427 nan 8.240 nan 0.000 0.505 333 I N 2.796 123.366 120.570 -0.000 0.000 2.312 333 I HA 0.301 4.471 4.170 0.001 0.000 0.290 333 I C -2.200 173.862 176.117 -0.092 0.000 1.008 333 I CA -2.642 58.578 61.300 -0.133 0.000 1.226 333 I CB 1.360 39.220 38.000 -0.235 0.000 1.371 333 I HN 0.451 nan 8.210 nan 0.000 0.468 334 P HA -0.027 nan 4.420 nan 0.000 0.264 334 P C 0.137 177.426 177.300 -0.018 0.000 1.183 334 P CA 0.023 63.087 63.100 -0.059 0.000 0.763 334 P CB 0.554 32.240 31.700 -0.023 0.000 0.807 335 D N 1.887 122.287 120.400 -0.000 0.000 2.149 335 D HA -0.173 4.468 4.640 0.001 0.000 0.194 335 D C 1.853 178.159 176.300 0.011 0.000 1.001 335 D CA 1.432 55.436 54.000 0.007 0.000 0.849 335 D CB -0.294 40.514 40.800 0.014 0.000 0.939 335 D HN 0.373 nan 8.370 nan 0.000 0.449 336 L N 0.340 121.576 121.223 0.021 0.000 2.079 336 L HA -0.224 4.117 4.340 0.001 0.000 0.210 336 L C 2.552 179.428 176.870 0.011 0.000 1.081 336 L CA 1.250 56.102 54.840 0.019 0.000 0.752 336 L CB -0.316 41.763 42.059 0.032 0.000 0.896 336 L HN 0.072 nan 8.230 nan 0.000 0.433 337 Q N -0.402 119.404 119.800 0.009 0.000 2.096 337 Q HA -0.208 4.132 4.340 0.001 0.000 0.197 337 Q C 2.204 178.205 176.000 0.002 0.000 0.964 337 Q CA 1.115 56.918 55.803 -0.000 0.000 0.838 337 Q CB -0.063 28.668 28.738 -0.012 0.000 0.906 337 Q HN 0.346 nan 8.270 nan 0.000 0.444 338 K N 1.320 121.717 120.400 -0.005 0.000 2.063 338 K HA -0.227 4.094 4.320 0.001 0.000 0.208 338 K C 1.713 178.322 176.600 0.016 0.000 1.048 338 K CA 1.542 57.830 56.287 0.001 0.000 0.928 338 K CB 0.123 32.615 32.500 -0.014 0.000 0.713 338 K HN 0.127 nan 8.250 nan 0.000 0.442 339 E N -0.124 120.083 120.200 0.011 0.000 2.110 339 E HA -0.156 4.194 4.350 0.001 0.000 0.193 339 E C 2.100 178.709 176.600 0.014 0.000 0.988 339 E CA 1.257 57.665 56.400 0.013 0.000 0.804 339 E CB 0.101 29.805 29.700 0.008 0.000 0.745 339 E HN 0.232 nan 8.360 nan 0.000 0.458 340 R N 0.066 120.571 120.500 0.008 0.000 2.092 340 R HA -0.042 4.298 4.340 0.001 0.000 0.231 340 R C 2.307 178.619 176.300 0.020 0.000 1.119 340 R CA 0.781 56.881 56.100 -0.001 0.000 0.970 340 R CB -0.151 30.141 30.300 -0.013 0.000 0.864 340 R HN 0.164 nan 8.270 nan 0.000 0.440 341 L N 0.345 121.597 121.223 0.048 0.000 2.056 341 L HA -0.177 4.164 4.340 0.001 0.000 0.207 341 L C 2.187 179.120 176.870 0.104 0.000 1.078 341 L CA 1.214 56.113 54.840 0.099 0.000 0.749 341 L CB -0.366 41.768 42.059 0.125 0.000 0.901 341 L HN 0.209 nan 8.230 nan 0.000 0.433 342 L N -0.699 120.569 121.223 0.075 0.000 2.093 342 L HA -0.098 4.243 4.340 0.001 0.000 0.208 342 L C 2.697 179.613 176.870 0.076 0.000 1.085 342 L CA 1.223 56.109 54.840 0.075 0.000 0.755 342 L CB -1.174 40.915 42.059 0.051 0.000 0.904 342 L HN 0.294 nan 8.230 nan 0.000 0.435 343 G N 0.464 109.297 108.800 0.054 0.000 2.446 343 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 343 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 343 G C 1.581 176.529 174.900 0.080 0.000 1.168 343 G CA 0.930 46.061 45.100 0.052 0.000 0.771 343 G HN 0.228 nan 8.290 nan 0.000 0.551 344 L N 1.539 122.792 121.223 0.050 0.000 2.056 344 L HA 0.190 4.530 4.340 0.001 0.000 0.207 344 L C 2.789 179.749 176.870 0.150 0.000 1.078 344 L CA 2.329 57.193 54.840 0.040 0.000 0.749 344 L CB -1.027 40.983 42.059 -0.081 0.000 0.901 344 L HN 0.156 nan 8.230 nan 0.000 0.433 345 G N -1.175 107.721 108.800 0.161 0.000 2.432 345 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 345 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 345 G C 1.425 176.429 174.900 0.174 0.000 1.135 345 G CA 0.829 46.048 45.100 0.198 0.000 0.767 345 G HN 0.551 nan 8.290 nan 0.000 0.550 346 E N -0.833 119.461 120.200 0.156 0.000 2.072 346 E HA -0.128 4.222 4.350 0.001 0.000 0.191 346 E C 2.060 178.757 176.600 0.163 0.000 0.985 346 E CA 0.744 57.222 56.400 0.130 0.000 0.801 346 E CB -0.222 29.546 29.700 0.114 0.000 0.750 346 E HN 0.630 nan 8.360 nan 0.000 0.452 347 W N 1.571 122.906 121.300 0.059 0.000 2.358 347 W HA -0.147 4.514 4.660 0.001 0.000 0.303 347 W C 1.787 178.388 176.519 0.137 0.000 1.208 347 W CA 1.229 58.648 57.345 0.125 0.000 1.274 347 W CB -0.185 29.308 29.460 0.056 0.000 1.138 347 W HN -0.041 nan 8.180 nan 0.000 0.515 348 L N 0.394 121.778 121.223 0.269 0.000 2.131 348 L HA -0.174 4.166 4.340 0.001 0.000 0.210 348 L C 2.790 179.658 176.870 -0.004 0.000 1.092 348 L CA 1.468 56.361 54.840 0.087 0.000 0.759 348 L CB -0.758 41.427 42.059 0.211 0.000 0.903 348 L HN -0.029 nan 8.230 nan 0.000 0.435 349 R N 0.292 120.811 120.500 0.032 0.000 2.148 349 R HA -0.148 4.192 4.340 0.001 0.000 0.227 349 R C 2.013 178.245 176.300 -0.114 0.000 1.103 349 R CA 1.168 57.274 56.100 0.009 0.000 0.983 349 R CB 0.144 30.460 30.300 0.027 0.000 0.874 349 R HN 0.351 nan 8.270 nan 0.000 0.451 350 K N -1.259 118.980 120.400 -0.269 0.000 2.128 350 K HA -0.040 4.281 4.320 0.001 0.000 0.202 350 K C 0.999 177.225 176.600 -0.624 0.000 1.050 350 K CA 0.975 56.962 56.287 -0.500 0.000 0.966 350 K CB 0.210 32.256 32.500 -0.756 0.000 0.759 350 K HN 0.178 nan 8.250 nan 0.000 0.454 351 Y N -0.075 119.867 120.300 -0.598 0.000 2.467 351 Y HA 0.210 4.761 4.550 0.001 0.000 0.250 351 Y C 1.935 177.431 175.900 -0.674 0.000 1.155 351 Y CA -0.302 57.312 58.100 -0.810 0.000 1.249 351 Y CB 0.103 37.620 38.460 -1.571 0.000 1.146 351 Y HN 0.094 nan 8.280 nan 0.000 0.524 352 G N 0.467 109.092 108.800 -0.292 0.000 2.507 352 G HA2 -0.291 3.669 3.960 0.001 0.000 0.221 352 G HA3 -0.291 3.669 3.960 0.001 0.000 0.221 352 G C 1.366 176.191 174.900 -0.125 0.000 1.119 352 G CA 1.542 46.518 45.100 -0.207 0.000 0.751 352 G HN 0.306 nan 8.290 nan 0.000 0.574 353 D N 0.712 121.077 120.400 -0.057 0.000 2.264 353 D HA 0.004 4.645 4.640 0.001 0.000 0.208 353 D C 2.477 178.473 176.300 -0.506 0.000 0.966 353 D CA 1.026 54.991 54.000 -0.059 0.000 0.864 353 D CB -0.062 40.832 40.800 0.157 0.000 0.933 353 D HN 0.396 nan 8.370 nan 0.000 0.499 354 A N -0.118 122.171 122.820 -0.884 0.000 2.307 354 A HA 0.115 4.435 4.320 0.001 0.000 0.218 354 A C 1.594 178.777 177.584 -0.668 0.000 1.228 354 A CA 0.098 51.243 52.037 -1.487 0.000 0.857 354 A CB 0.201 18.383 19.000 -1.363 0.000 0.897 354 A HN 0.044 nan 8.150 nan 0.000 0.495 355 I N -2.397 117.910 120.570 -0.439 0.000 3.809 355 I HA 0.153 4.324 4.170 0.001 0.000 0.245 355 I C 0.302 176.321 176.117 -0.164 0.000 1.119 355 I CA -0.125 60.998 61.300 -0.296 0.000 1.597 355 I CB -1.302 36.459 38.000 -0.399 0.000 1.605 355 I HN 0.264 nan 8.210 nan 0.000 0.441 356 Y N 2.047 122.330 120.300 -0.029 0.000 2.811 356 Y HA 0.248 4.798 4.550 0.001 0.000 0.334 356 Y C 1.676 177.584 175.900 0.015 0.000 1.247 356 Y CA 0.891 58.999 58.100 0.013 0.000 1.526 356 Y CB -0.081 38.401 38.460 0.036 0.000 1.284 356 Y HN 0.549 nan 8.280 nan 0.000 0.586 357 G N 1.343 110.265 108.800 0.204 0.000 2.166 357 G HA2 -0.330 3.631 3.960 0.001 0.000 0.260 357 G HA3 -0.330 3.631 3.960 0.001 0.000 0.260 357 G C 0.213 175.187 174.900 0.123 0.000 0.986 357 G CA 0.450 45.635 45.100 0.142 0.000 0.683 357 G HN 0.919 nan 8.290 nan 0.000 0.527 358 T N -2.284 112.332 114.554 0.104 0.000 2.824 358 T HA 0.750 5.100 4.350 0.001 0.000 0.277 358 T C 0.318 175.083 174.700 0.109 0.000 0.975 358 T CA 0.293 62.468 62.100 0.125 0.000 0.966 358 T CB 2.134 71.069 68.868 0.111 0.000 1.054 358 T HN 0.455 nan 8.240 nan 0.000 0.533 359 S N -0.292 115.490 115.700 0.137 0.000 2.634 359 S HA 0.668 5.138 4.470 0.001 0.000 0.296 359 S C 0.118 174.813 174.600 0.158 0.000 1.104 359 S CA -0.732 57.543 58.200 0.125 0.000 0.920 359 S CB 1.558 64.833 63.200 0.124 0.000 1.111 359 S HN 1.017 nan 8.310 nan 0.000 0.493 360 V N 0.279 120.282 119.914 0.148 0.000 3.051 360 V HA 0.516 4.637 4.120 0.001 0.000 0.306 360 V C 0.054 176.304 176.094 0.261 0.000 1.083 360 V CA -0.330 62.084 62.300 0.189 0.000 1.104 360 V CB 0.331 32.238 31.823 0.141 0.000 1.027 360 V HN 0.893 nan 8.190 nan 0.000 0.483 361 W N 1.631 122.971 121.300 0.067 0.000 2.342 361 W HA 0.448 5.109 4.660 0.001 0.000 0.530 361 W C 1.686 178.196 176.519 -0.015 0.000 1.880 361 W CA -0.211 57.146 57.345 0.019 0.000 2.052 361 W CB 0.834 30.301 29.460 0.012 0.000 2.206 361 W HN 0.792 nan 8.180 nan 0.000 0.741 362 E N 0.344 119.999 120.200 -0.908 0.000 2.152 362 E HA -0.073 4.278 4.350 0.001 0.000 0.192 362 E C 0.229 176.553 176.600 -0.459 0.000 0.983 362 E CA 0.871 56.829 56.400 -0.737 0.000 0.818 362 E CB 0.018 29.085 29.700 -1.054 0.000 0.758 362 E HN 0.214 nan 8.360 nan 0.000 0.467 363 R N -0.274 119.976 120.500 -0.416 0.000 2.774 363 R HA 0.380 4.721 4.340 0.001 0.000 0.272 363 R C 0.635 177.067 176.300 0.220 0.000 1.000 363 R CA -0.429 55.607 56.100 -0.106 0.000 0.906 363 R CB 0.705 30.911 30.300 -0.156 0.000 1.227 363 R HN 0.086 nan 8.270 nan 0.000 0.468 364 C N -1.686 117.762 119.300 0.247 0.000 2.551 364 C HA 0.501 4.961 4.460 0.001 0.000 0.277 364 C C 0.441 175.662 174.990 0.385 0.000 1.349 364 C CA -0.199 59.012 59.018 0.322 0.000 1.750 364 C CB -0.864 26.985 27.740 0.181 0.000 2.058 364 C HN 0.627 nan 8.230 nan 0.000 0.518 365 C N 0.983 120.499 119.300 0.361 0.000 2.994 365 C HA 0.934 5.395 4.460 0.001 0.000 0.305 365 C C 0.175 175.341 174.990 0.293 0.000 1.251 365 C CA 0.291 59.444 59.018 0.225 0.000 1.478 365 C CB 0.965 28.760 27.740 0.092 0.000 1.922 365 C HN 0.914 nan 8.230 nan 0.000 0.472 366 A N 1.505 124.392 122.820 0.113 0.000 2.536 366 A HA 0.989 5.309 4.320 0.001 0.000 0.293 366 A C -1.715 175.834 177.584 -0.057 0.000 1.119 366 A CA -0.644 51.453 52.037 0.100 0.000 0.654 366 A CB 1.504 20.662 19.000 0.264 0.000 1.291 366 A HN 1.031 nan 8.150 nan 0.000 0.439 367 K N -0.659 119.720 120.400 -0.034 0.000 2.536 367 K HA 0.726 5.047 4.320 0.001 0.000 0.269 367 K C -0.335 176.257 176.600 -0.013 0.000 0.965 367 K CA -0.086 56.164 56.287 -0.063 0.000 0.860 367 K CB 1.611 34.087 32.500 -0.040 0.000 1.423 367 K HN 0.987 nan 8.250 nan 0.000 0.438 368 T N -2.063 112.499 114.554 0.014 0.000 2.788 368 T HA 0.122 4.472 4.350 0.001 0.000 0.280 368 T C 1.030 175.763 174.700 0.056 0.000 0.984 368 T CA -0.313 61.833 62.100 0.077 0.000 0.972 368 T CB 1.103 70.062 68.868 0.152 0.000 1.039 368 T HN 0.788 nan 8.240 nan 0.000 0.530 369 E N 0.266 120.504 120.200 0.064 0.000 2.153 369 E HA -0.156 4.195 4.350 0.001 0.000 0.194 369 E C 0.961 177.582 176.600 0.036 0.000 0.988 369 E CA 1.492 57.920 56.400 0.047 0.000 0.811 369 E CB -0.159 29.571 29.700 0.049 0.000 0.746 369 E HN 0.906 nan 8.360 nan 0.000 0.466 370 D N -2.103 118.322 120.400 0.041 0.000 2.395 370 D HA 0.155 4.795 4.640 0.001 0.000 0.226 370 D C 0.876 177.189 176.300 0.022 0.000 1.146 370 D CA 0.429 54.447 54.000 0.029 0.000 0.830 370 D CB 0.595 41.414 40.800 0.031 0.000 0.958 370 D HN 0.162 nan 8.370 nan 0.000 0.501 371 G N -0.271 108.540 108.800 0.018 0.000 2.159 371 G HA2 -0.293 3.668 3.960 0.001 0.000 0.256 371 G HA3 -0.293 3.668 3.960 0.001 0.000 0.256 371 G C 0.376 175.269 174.900 -0.011 0.000 0.977 371 G CA 0.282 45.382 45.100 0.000 0.000 0.652 371 G HN 0.418 nan 8.290 nan 0.000 0.531 372 T N 2.065 116.627 114.554 0.013 0.000 2.851 372 T HA 0.434 4.785 4.350 0.001 0.000 0.298 372 T C 0.382 175.043 174.700 -0.066 0.000 0.977 372 T CA -0.184 61.917 62.100 0.002 0.000 1.126 372 T CB 1.247 70.181 68.868 0.109 0.000 0.916 372 T HN 0.273 nan 8.240 nan 0.000 0.529 373 E N 2.569 122.683 120.200 -0.144 0.000 2.366 373 E HA 0.354 4.705 4.350 0.001 0.000 0.266 373 E C -0.141 176.266 176.600 -0.323 0.000 1.051 373 E CA -0.080 56.196 56.400 -0.207 0.000 0.884 373 E CB 1.243 30.815 29.700 -0.214 0.000 1.006 373 E HN 0.507 nan 8.360 nan 0.000 0.417 374 I N 2.307 122.638 120.570 -0.397 0.000 2.647 374 I HA 0.369 4.540 4.170 0.001 0.000 0.295 374 I C -0.039 175.716 176.117 -0.604 0.000 1.078 374 I CA -0.917 59.991 61.300 -0.654 0.000 1.048 374 I CB 1.651 39.121 38.000 -0.883 0.000 1.239 374 I HN 0.064 nan 8.210 nan 0.000 0.421 375 R N 4.300 124.398 120.500 -0.670 0.000 2.807 375 R HA 0.670 5.010 4.340 0.001 0.000 0.276 375 R C -1.529 174.376 176.300 -0.658 0.000 0.979 375 R CA -0.887 54.925 56.100 -0.479 0.000 0.928 375 R CB 2.065 32.232 30.300 -0.221 0.000 1.191 375 R HN 0.364 nan 8.270 nan 0.000 0.471 376 F N -0.332 119.634 119.950 0.027 0.000 2.546 376 F HA 0.608 5.135 4.527 0.001 0.000 0.320 376 F C 0.769 176.624 175.800 0.092 0.000 1.076 376 F CA -0.553 57.465 58.000 0.030 0.000 0.928 376 F CB 2.363 41.433 39.000 0.117 0.000 1.189 376 F HN 0.510 nan 8.300 nan 0.000 0.465 377 T N -0.509 114.211 114.554 0.277 0.000 2.841 377 T HA 0.720 5.071 4.350 0.001 0.000 0.296 377 T C -1.233 173.635 174.700 0.281 0.000 1.166 377 T CA -1.058 61.201 62.100 0.265 0.000 1.007 377 T CB 2.610 71.593 68.868 0.191 0.000 1.253 377 T HN 0.878 nan 8.240 nan 0.000 0.511 378 R N 0.124 120.791 120.500 0.279 0.000 2.740 378 R HA 0.643 4.983 4.340 0.001 0.000 0.273 378 R C -1.801 174.643 176.300 0.241 0.000 0.998 378 R CA -0.889 55.325 56.100 0.191 0.000 0.900 378 R CB 1.894 32.300 30.300 0.176 0.000 1.223 378 R HN 0.770 nan 8.270 nan 0.000 0.466 379 K N 3.236 123.738 120.400 0.171 0.000 2.705 379 K HA 0.297 4.618 4.320 0.001 0.000 0.238 379 K C -0.400 176.247 176.600 0.079 0.000 0.996 379 K CA -0.532 55.865 56.287 0.184 0.000 1.007 379 K CB 0.813 33.503 32.500 0.317 0.000 1.206 379 K HN 0.874 nan 8.250 nan 0.000 0.488 380 C N 0.997 120.343 119.300 0.078 0.000 1.976 380 C HA -0.355 4.105 4.460 0.001 0.000 0.111 380 C C 1.839 176.845 174.990 0.026 0.000 0.830 380 C CA 1.747 60.797 59.018 0.053 0.000 0.873 380 C CB -1.494 26.275 27.740 0.048 0.000 3.215 380 C HN 1.064 nan 8.230 nan 0.000 1.057 381 N N 1.633 120.332 118.700 -0.001 0.000 2.412 381 N HA 0.105 4.845 4.740 0.001 0.000 0.184 381 N C 0.176 175.624 175.510 -0.102 0.000 1.101 381 N CA 0.453 53.487 53.050 -0.026 0.000 0.881 381 N CB -0.137 38.342 38.487 -0.014 0.000 0.969 381 N HN 0.704 nan 8.380 nan 0.000 0.459 382 R N 0.656 121.057 120.500 -0.164 0.000 2.297 382 R HA 0.440 4.780 4.340 0.001 0.000 0.308 382 R C -0.657 175.314 176.300 -0.548 0.000 1.029 382 R CA -0.453 55.427 56.100 -0.368 0.000 0.929 382 R CB 1.385 31.419 30.300 -0.442 0.000 1.046 382 R HN 0.135 nan 8.270 nan 0.000 0.461 383 I N 3.728 123.932 120.570 -0.609 0.000 2.362 383 I HA 0.280 4.451 4.170 0.001 0.000 0.289 383 I C -0.597 175.143 176.117 -0.627 0.000 0.994 383 I CA -0.632 60.275 61.300 -0.655 0.000 1.158 383 I CB 1.005 38.511 38.000 -0.824 0.000 1.315 383 I HN 0.392 nan 8.210 nan 0.000 0.451 384 F N 5.633 125.496 119.950 -0.145 0.000 2.411 384 F HA 0.404 4.932 4.527 0.001 0.000 0.350 384 F C 0.199 175.936 175.800 -0.106 0.000 1.114 384 F CA -0.808 57.128 58.000 -0.107 0.000 1.135 384 F CB 1.216 40.141 39.000 -0.124 0.000 1.120 384 F HN 0.035 nan 8.300 nan 0.000 0.495 385 V N 5.792 125.737 119.914 0.051 0.000 2.313 385 V HA 0.343 4.464 4.120 0.001 0.000 0.278 385 V C -0.055 175.973 176.094 -0.110 0.000 1.017 385 V CA -0.567 61.662 62.300 -0.120 0.000 0.823 385 V CB 0.857 32.679 31.823 -0.003 0.000 1.010 385 V HN 0.545 nan 8.190 nan 0.000 0.443 386 I N 5.424 125.830 120.570 -0.274 0.000 2.328 386 I HA 0.421 4.592 4.170 0.001 0.000 0.287 386 I C -0.555 175.431 176.117 -0.219 0.000 1.012 386 I CA -0.287 60.925 61.300 -0.147 0.000 1.195 386 I CB 1.064 38.986 38.000 -0.130 0.000 1.350 386 I HN 0.343 nan 8.210 nan 0.000 0.464 387 F N 6.060 125.898 119.950 -0.188 0.000 2.427 387 F HA 0.283 4.811 4.527 0.001 0.000 0.352 387 F C 0.576 176.240 175.800 -0.226 0.000 1.100 387 F CA -0.487 57.399 58.000 -0.190 0.000 1.191 387 F CB 0.735 39.665 39.000 -0.116 0.000 1.128 387 F HN 0.257 nan 8.300 nan 0.000 0.533 388 L N 4.644 125.732 121.223 -0.225 0.000 2.399 388 L HA 0.506 4.847 4.340 0.001 0.000 0.257 388 L C 0.575 177.130 176.870 -0.525 0.000 1.236 388 L CA -0.236 54.216 54.840 -0.646 0.000 1.144 388 L CB -1.058 40.464 42.059 -0.895 0.000 1.379 388 L HN 0.893 nan 8.230 nan 0.000 0.414 389 G N 2.287 111.043 108.800 -0.075 0.000 2.347 389 G HA2 0.051 4.012 3.960 0.001 0.000 0.477 389 G HA3 0.051 4.012 3.960 0.001 0.000 0.477 389 G C -1.329 173.622 174.900 0.084 0.000 1.349 389 G CA -0.985 44.161 45.100 0.077 0.000 1.000 389 G HN 0.185 nan 8.290 nan 0.000 0.605 390 I N 1.721 122.324 120.570 0.056 0.000 2.410 390 I HA 0.339 4.510 4.170 0.001 0.000 0.286 390 I C -2.082 174.015 176.117 -0.033 0.000 1.009 390 I CA -1.859 59.439 61.300 -0.004 0.000 1.111 390 I CB 2.284 40.302 38.000 0.030 0.000 1.262 390 I HN 0.244 nan 8.210 nan 0.000 0.443 391 P HA 0.073 nan 4.420 nan 0.000 0.268 391 P C 0.850 178.120 177.300 -0.050 0.000 1.208 391 P CA -0.129 62.928 63.100 -0.071 0.000 0.777 391 P CB 0.636 32.257 31.700 -0.132 0.000 0.875 392 T N -1.473 113.067 114.554 -0.024 0.000 2.976 392 T HA 0.141 4.492 4.350 0.001 0.000 0.257 392 T C 1.043 175.731 174.700 -0.019 0.000 1.051 392 T CA 0.392 62.483 62.100 -0.016 0.000 1.141 392 T CB -0.652 68.214 68.868 -0.004 0.000 0.881 392 T HN 0.459 nan 8.240 nan 0.000 0.461 393 G N 0.481 109.271 108.800 -0.017 0.000 2.425 393 G HA2 0.420 4.380 3.960 0.001 0.000 0.302 393 G HA3 0.420 4.380 3.960 0.001 0.000 0.302 393 G C 0.270 175.156 174.900 -0.023 0.000 1.159 393 G CA -0.600 44.492 45.100 -0.013 0.000 0.865 393 G HN 0.372 nan 8.290 nan 0.000 0.515 394 E N -0.056 120.133 120.200 -0.017 0.000 2.204 394 E HA -0.079 4.271 4.350 0.001 0.000 0.194 394 E C 0.841 177.438 176.600 -0.005 0.000 0.989 394 E CA 0.584 56.972 56.400 -0.019 0.000 0.824 394 E CB 0.143 29.835 29.700 -0.013 0.000 0.756 394 E HN 0.392 nan 8.360 nan 0.000 0.477 395 K N 1.640 122.044 120.400 0.008 0.000 2.312 395 K HA 0.227 4.548 4.320 0.001 0.000 0.287 395 K C -0.995 175.626 176.600 0.034 0.000 1.062 395 K CA 0.114 56.417 56.287 0.026 0.000 0.934 395 K CB 0.418 32.935 32.500 0.027 0.000 1.027 395 K HN -0.108 nan 8.250 nan 0.000 0.478 396 I N 5.073 125.678 120.570 0.058 0.000 2.418 396 I HA 0.245 4.415 4.170 0.001 0.000 0.287 396 I C -1.033 175.160 176.117 0.126 0.000 1.008 396 I CA -1.267 60.086 61.300 0.089 0.000 1.104 396 I CB 2.095 40.148 38.000 0.089 0.000 1.264 396 I HN 0.282 nan 8.210 nan 0.000 0.438 397 V N 7.470 127.456 119.914 0.121 0.000 2.334 397 V HA 0.405 4.526 4.120 0.001 0.000 0.281 397 V C 0.148 176.319 176.094 0.129 0.000 1.016 397 V CA -0.422 61.948 62.300 0.116 0.000 0.832 397 V CB 1.318 33.191 31.823 0.082 0.000 0.999 397 V HN 0.478 nan 8.190 nan 0.000 0.439 398 I N 4.337 124.993 120.570 0.143 0.000 2.325 398 I HA 0.296 4.467 4.170 0.001 0.000 0.291 398 I C 0.716 176.894 176.117 0.103 0.000 1.019 398 I CA -0.275 61.100 61.300 0.124 0.000 1.302 398 I CB 0.905 38.990 38.000 0.143 0.000 1.401 398 I HN 0.607 nan 8.210 nan 0.000 0.485 399 E N 5.575 125.822 120.200 0.079 0.000 2.398 399 E HA 0.012 4.363 4.350 0.001 0.000 0.263 399 E C -0.539 176.104 176.600 0.071 0.000 1.046 399 E CA -0.235 56.204 56.400 0.066 0.000 0.908 399 E CB 0.340 30.069 29.700 0.048 0.000 0.963 399 E HN 0.493 nan 8.360 nan 0.000 0.431 400 D N 1.208 121.643 120.400 0.058 0.000 2.740 400 D HA -0.210 4.430 4.640 0.001 0.000 0.231 400 D C -0.929 175.408 176.300 0.062 0.000 1.194 400 D CA 0.847 54.876 54.000 0.050 0.000 0.673 400 D CB -0.896 39.926 40.800 0.037 0.000 0.995 400 D HN 0.109 nan 8.370 nan 0.000 0.411 401 L N 0.264 121.533 121.223 0.077 0.000 2.549 401 L HA 0.448 4.789 4.340 0.001 0.000 0.259 401 L C -1.450 175.480 176.870 0.099 0.000 0.934 401 L CA -0.408 54.487 54.840 0.092 0.000 0.865 401 L CB 2.041 44.185 42.059 0.142 0.000 1.352 401 L HN 0.074 nan 8.230 nan 0.000 0.410 402 N N 4.279 123.036 118.700 0.095 0.000 2.242 402 N HA 0.764 5.504 4.740 0.001 0.000 0.292 402 N C -1.766 173.821 175.510 0.128 0.000 1.125 402 N CA -0.793 52.323 53.050 0.109 0.000 0.783 402 N CB 2.322 40.856 38.487 0.078 0.000 1.558 402 N HN 0.425 nan 8.380 nan 0.000 0.472 403 L N 1.162 122.481 121.223 0.160 0.000 2.365 403 L HA 0.415 4.756 4.340 0.001 0.000 0.273 403 L C 0.612 177.581 176.870 0.166 0.000 1.000 403 L CA -0.534 54.398 54.840 0.154 0.000 0.819 403 L CB 1.975 44.097 42.059 0.106 0.000 1.284 403 L HN 0.650 nan 8.230 nan 0.000 0.418 404 S N 0.282 116.060 115.700 0.129 0.000 2.583 404 S HA 0.421 4.891 4.470 0.001 0.000 0.239 404 S C 0.440 175.106 174.600 0.111 0.000 0.966 404 S CA -0.395 57.872 58.200 0.111 0.000 0.973 404 S CB 0.325 63.573 63.200 0.079 0.000 0.794 404 S HN 0.613 nan 8.310 nan 0.000 0.463 405 A N 0.768 123.662 122.820 0.124 0.000 2.249 405 A HA 0.771 5.091 4.320 0.001 0.000 0.281 405 A C 1.204 178.898 177.584 0.182 0.000 1.127 405 A CA -0.208 51.884 52.037 0.092 0.000 0.833 405 A CB -0.024 18.969 19.000 -0.011 0.000 1.140 405 A HN 0.564 nan 8.150 nan 0.000 0.502 406 G N -1.980 106.913 108.800 0.155 0.000 3.228 406 G HA2 0.423 4.384 3.960 0.001 0.000 0.245 406 G HA3 0.423 4.384 3.960 0.001 0.000 0.245 406 G C 0.185 175.245 174.900 0.267 0.000 1.051 406 G CA 0.990 46.211 45.100 0.202 0.000 0.809 406 G HN 1.259 nan 8.290 nan 0.000 0.531 407 T N -0.522 114.135 114.554 0.171 0.000 3.193 407 T HA 0.467 4.818 4.350 0.001 0.000 0.332 407 T C -1.925 172.693 174.700 -0.137 0.000 1.208 407 T CA -0.327 61.840 62.100 0.112 0.000 1.080 407 T CB 1.799 70.719 68.868 0.087 0.000 1.180 407 T HN 0.084 nan 8.240 nan 0.000 0.469 408 V N 5.929 125.708 119.914 -0.225 0.000 2.409 408 V HA 0.663 4.783 4.120 0.001 0.000 0.291 408 V C 0.125 176.189 176.094 -0.050 0.000 1.020 408 V CA -0.816 61.311 62.300 -0.288 0.000 0.848 408 V CB 1.604 33.063 31.823 -0.605 0.000 0.990 408 V HN 0.855 nan 8.190 nan 0.000 0.430 409 R N 1.800 122.295 120.500 -0.007 0.000 2.778 409 R HA 0.483 4.824 4.340 0.001 0.000 0.277 409 R C -0.477 175.903 176.300 0.132 0.000 0.977 409 R CA -0.892 55.248 56.100 0.067 0.000 0.950 409 R CB 1.878 32.206 30.300 0.048 0.000 1.165 409 R HN 0.798 nan 8.270 nan 0.000 0.474 410 H N 3.090 122.199 119.070 0.065 0.000 2.742 410 H HA -0.013 4.543 4.556 0.001 0.000 0.302 410 H C 0.337 175.746 175.328 0.135 0.000 1.069 410 H CA 0.058 56.168 56.048 0.104 0.000 1.446 410 H CB 0.629 30.431 29.762 0.067 0.000 1.462 410 H HN 0.635 nan 8.280 nan 0.000 0.499 411 F N 5.223 125.018 119.950 -0.258 0.000 2.069 411 F HA -0.270 4.258 4.527 0.001 0.000 0.298 411 F C 1.610 177.325 175.800 -0.142 0.000 1.113 411 F CA 1.355 59.284 58.000 -0.119 0.000 1.214 411 F CB -0.192 38.806 39.000 -0.004 0.000 0.978 411 F HN 0.515 nan 8.300 nan 0.000 0.474 412 L N 0.514 121.572 121.223 -0.274 0.000 2.056 412 L HA -0.145 4.196 4.340 0.001 0.000 0.207 412 L C 2.714 179.491 176.870 -0.155 0.000 1.078 412 L CA 2.516 57.198 54.840 -0.263 0.000 0.749 412 L CB -1.222 40.819 42.059 -0.029 0.000 0.901 412 L HN 0.515 nan 8.230 nan 0.000 0.433 413 T N -4.844 109.771 114.554 0.101 0.000 3.054 413 T HA 0.242 4.592 4.350 0.001 0.000 0.259 413 T C 1.519 176.227 174.700 0.014 0.000 1.092 413 T CA 0.515 62.665 62.100 0.084 0.000 1.121 413 T CB -0.037 68.929 68.868 0.164 0.000 0.912 413 T HN 0.483 nan 8.240 nan 0.000 0.489 414 G N 1.521 110.323 108.800 0.003 0.000 2.159 414 G HA2 -0.231 3.729 3.960 0.001 0.000 0.256 414 G HA3 -0.231 3.729 3.960 0.001 0.000 0.256 414 G C -0.228 174.693 174.900 0.035 0.000 0.977 414 G CA 0.045 45.132 45.100 -0.022 0.000 0.652 414 G HN 0.659 nan 8.290 nan 0.000 0.531 415 E N 0.643 120.893 120.200 0.083 0.000 2.299 415 E HA 0.247 4.597 4.350 0.001 0.000 0.272 415 E C 0.882 177.531 176.600 0.081 0.000 1.043 415 E CA -0.517 55.925 56.400 0.069 0.000 0.895 415 E CB 0.835 30.566 29.700 0.051 0.000 1.011 415 E HN 0.411 nan 8.360 nan 0.000 0.432 416 R N 3.245 123.783 120.500 0.063 0.000 2.640 416 R HA 0.082 4.422 4.340 0.001 0.000 0.270 416 R C -0.472 175.885 176.300 0.096 0.000 1.024 416 R CA 0.354 56.501 56.100 0.078 0.000 1.085 416 R CB 0.329 30.671 30.300 0.071 0.000 0.963 416 R HN 0.435 nan 8.270 nan 0.000 0.426 417 L N 1.613 122.915 121.223 0.132 0.000 2.323 417 L HA 0.380 4.721 4.340 0.001 0.000 0.265 417 L C -0.234 176.793 176.870 0.262 0.000 1.012 417 L CA -0.920 54.014 54.840 0.156 0.000 0.820 417 L CB 2.065 44.209 42.059 0.142 0.000 1.334 417 L HN 0.566 nan 8.230 nan 0.000 0.427 418 S N 1.540 117.367 115.700 0.212 0.000 2.475 418 S HA 0.739 5.209 4.470 0.001 0.000 0.281 418 S C -0.850 173.919 174.600 0.281 0.000 1.198 418 S CA -0.428 57.887 58.200 0.191 0.000 1.063 418 S CB 0.115 63.361 63.200 0.077 0.000 0.972 418 S HN 0.409 nan 8.310 nan 0.000 0.486 419 F N 1.986 121.959 119.950 0.039 0.000 2.668 419 F HA 0.822 5.350 4.527 0.001 0.000 0.309 419 F C -1.190 174.634 175.800 0.041 0.000 1.117 419 F CA -1.161 56.867 58.000 0.047 0.000 0.951 419 F CB 1.174 40.210 39.000 0.060 0.000 1.323 419 F HN 0.656 nan 8.300 nan 0.000 0.451 420 K N 1.234 121.629 120.400 -0.009 0.000 2.557 420 K HA 0.436 4.757 4.320 0.001 0.000 0.261 420 K C -1.985 174.659 176.600 0.073 0.000 0.932 420 K CA -0.879 55.348 56.287 -0.099 0.000 0.829 420 K CB 1.810 34.241 32.500 -0.115 0.000 1.358 420 K HN 0.625 nan 8.250 nan 0.000 0.430 421 N N 2.005 120.746 118.700 0.069 0.000 2.420 421 N HA 0.118 4.858 4.740 0.001 0.000 0.262 421 N C -0.809 174.733 175.510 0.052 0.000 1.144 421 N CA -0.170 52.935 53.050 0.092 0.000 0.952 421 N CB 1.313 39.852 38.487 0.087 0.000 1.081 421 N HN 0.372 nan 8.380 nan 0.000 0.480 422 V N 2.271 122.221 119.914 0.059 0.000 2.220 422 V HA 0.425 4.546 4.120 0.001 0.000 0.265 422 V C 1.145 177.263 176.094 0.039 0.000 1.078 422 V CA -0.105 62.220 62.300 0.041 0.000 0.872 422 V CB -0.049 31.799 31.823 0.043 0.000 1.121 422 V HN 0.973 nan 8.190 nan 0.000 0.460 423 G N 5.036 113.856 108.800 0.032 0.000 2.536 423 G HA2 -0.309 3.651 3.960 0.001 0.000 0.277 423 G HA3 -0.309 3.651 3.960 0.001 0.000 0.277 423 G C 0.725 175.646 174.900 0.035 0.000 1.155 423 G CA 0.479 45.597 45.100 0.029 0.000 0.960 423 G HN 0.854 nan 8.290 nan 0.000 0.544 424 K N 1.016 121.437 120.400 0.034 0.000 2.404 424 K HA 0.322 4.643 4.320 0.001 0.000 0.194 424 K C 0.546 177.175 176.600 0.050 0.000 1.023 424 K CA 0.400 56.708 56.287 0.036 0.000 1.094 424 K CB 0.148 32.664 32.500 0.027 0.000 0.841 424 K HN 0.341 nan 8.250 nan 0.000 0.523 425 N N 0.801 119.536 118.700 0.059 0.000 2.592 425 N HA 0.415 5.156 4.740 0.001 0.000 0.292 425 N C -1.582 173.986 175.510 0.098 0.000 1.260 425 N CA -0.808 52.288 53.050 0.076 0.000 0.910 425 N CB 1.360 39.889 38.487 0.070 0.000 1.257 425 N HN 0.060 nan 8.380 nan 0.000 0.569 426 L N 0.186 121.482 121.223 0.121 0.000 2.409 426 L HA 0.442 4.782 4.340 0.001 0.000 0.272 426 L C -0.939 176.029 176.870 0.164 0.000 0.980 426 L CA -0.268 54.668 54.840 0.159 0.000 0.826 426 L CB 1.390 43.557 42.059 0.180 0.000 1.268 426 L HN 0.468 nan 8.230 nan 0.000 0.407 427 E N 6.071 126.373 120.200 0.170 0.000 2.171 427 E HA 0.668 5.019 4.350 0.001 0.000 0.271 427 E C -1.185 175.536 176.600 0.202 0.000 0.916 427 E CA -0.524 55.968 56.400 0.154 0.000 0.774 427 E CB 2.386 32.150 29.700 0.105 0.000 1.128 427 E HN 0.502 nan 8.360 nan 0.000 0.403 428 I N 1.077 121.756 120.570 0.181 0.000 2.686 428 I HA 0.312 4.483 4.170 0.001 0.000 0.295 428 I C -0.523 175.667 176.117 0.122 0.000 1.114 428 I CA -0.914 60.502 61.300 0.195 0.000 1.038 428 I CB 2.474 40.588 38.000 0.190 0.000 1.238 428 I HN 0.327 nan 8.210 nan 0.000 0.420 429 T N 4.491 119.110 114.554 0.109 0.000 2.756 429 T HA 0.449 4.800 4.350 0.001 0.000 0.290 429 T C -0.300 174.425 174.700 0.043 0.000 0.985 429 T CA -0.426 61.710 62.100 0.061 0.000 0.955 429 T CB 1.476 70.375 68.868 0.052 0.000 0.930 429 T HN 0.245 nan 8.240 nan 0.000 0.451 430 V N 6.975 126.893 119.914 0.007 0.000 2.326 430 V HA 0.304 4.424 4.120 0.001 0.000 0.281 430 V C -2.278 173.787 176.094 -0.048 0.000 1.015 430 V CA -2.327 59.959 62.300 -0.023 0.000 0.823 430 V CB 1.049 32.841 31.823 -0.052 0.000 1.009 430 V HN 0.659 nan 8.190 nan 0.000 0.436 431 P HA -0.003 nan 4.420 nan 0.000 0.263 431 P C 0.700 177.955 177.300 -0.075 0.000 1.175 431 P CA 0.098 63.163 63.100 -0.057 0.000 0.761 431 P CB 0.714 32.376 31.700 -0.064 0.000 0.794 432 K N 4.701 125.070 120.400 -0.052 0.000 2.211 432 K HA -0.212 4.109 4.320 0.001 0.000 0.204 432 K C 1.658 178.226 176.600 -0.054 0.000 1.047 432 K CA 1.788 58.047 56.287 -0.047 0.000 0.935 432 K CB -0.228 32.255 32.500 -0.029 0.000 0.728 432 K HN 0.432 nan 8.250 nan 0.000 0.452 433 K N -0.011 120.352 120.400 -0.061 0.000 2.026 433 K HA -0.139 4.182 4.320 0.001 0.000 0.208 433 K C 1.958 178.501 176.600 -0.095 0.000 1.048 433 K CA 1.577 57.828 56.287 -0.061 0.000 0.929 433 K CB -0.541 31.925 32.500 -0.056 0.000 0.713 433 K HN 0.064 nan 8.250 nan 0.000 0.439 434 L N 1.250 122.367 121.223 -0.178 0.000 1.994 434 L HA -0.148 4.193 4.340 0.001 0.000 0.208 434 L C 2.680 179.423 176.870 -0.212 0.000 1.071 434 L CA 1.202 55.819 54.840 -0.372 0.000 0.745 434 L CB -0.701 40.957 42.059 -0.669 0.000 0.892 434 L HN 0.169 nan 8.230 nan 0.000 0.431 435 L N -0.215 120.933 121.223 -0.125 0.000 2.137 435 L HA -0.258 4.082 4.340 0.001 0.000 0.213 435 L C 2.345 179.228 176.870 0.023 0.000 1.085 435 L CA 1.380 56.206 54.840 -0.024 0.000 0.760 435 L CB -0.490 41.541 42.059 -0.046 0.000 0.893 435 L HN 0.361 nan 8.230 nan 0.000 0.434 436 E N -1.256 118.945 120.200 0.002 0.000 2.435 436 E HA -0.128 4.222 4.350 0.001 0.000 0.195 436 E C 2.043 178.673 176.600 0.051 0.000 1.029 436 E CA 1.107 57.521 56.400 0.024 0.000 0.865 436 E CB 0.120 29.824 29.700 0.006 0.000 0.833 436 E HN 0.459 nan 8.360 nan 0.000 0.510 437 T N -0.647 113.946 114.554 0.066 0.000 3.067 437 T HA -0.033 4.317 4.350 0.001 0.000 0.257 437 T C 0.615 175.418 174.700 0.172 0.000 1.105 437 T CA -0.018 62.142 62.100 0.100 0.000 1.104 437 T CB 0.146 69.068 68.868 0.090 0.000 0.925 437 T HN -0.155 nan 8.240 nan 0.000 0.498 438 D N 1.799 122.339 120.400 0.234 0.000 2.344 438 D HA 0.338 4.979 4.640 0.001 0.000 0.244 438 D C -0.637 175.826 176.300 0.271 0.000 1.134 438 D CA 0.180 54.373 54.000 0.322 0.000 0.930 438 D CB 1.554 42.553 40.800 0.332 0.000 1.175 438 D HN 0.272 nan 8.370 nan 0.000 0.437 439 S N 0.914 116.843 115.700 0.382 0.000 2.659 439 S HA 0.423 4.894 4.470 0.001 0.000 0.312 439 S C 1.026 175.847 174.600 0.368 0.000 1.114 439 S CA -0.554 57.843 58.200 0.328 0.000 1.063 439 S CB -0.155 63.247 63.200 0.337 0.000 0.996 439 S HN 0.561 nan 8.310 nan 0.000 0.478 440 I N 1.794 122.499 120.570 0.225 0.000 4.205 440 I HA -0.296 3.874 4.170 0.001 0.000 0.094 440 I C 0.501 176.738 176.117 0.199 0.000 0.521 440 I CA 1.711 63.109 61.300 0.164 0.000 1.179 440 I CB -1.763 36.268 38.000 0.053 0.000 1.046 440 I HN 0.705 nan 8.210 nan 0.000 0.179 441 T N 0.130 114.798 114.554 0.191 0.000 2.881 441 T HA 0.657 5.008 4.350 0.001 0.000 0.290 441 T C -0.741 173.967 174.700 0.014 0.000 1.000 441 T CA -0.784 61.374 62.100 0.096 0.000 0.978 441 T CB 2.469 71.374 68.868 0.063 0.000 0.997 441 T HN 0.312 nan 8.240 nan 0.000 0.443 442 L N 3.945 125.201 121.223 0.054 0.000 2.360 442 L HA 0.693 5.033 4.340 0.001 0.000 0.276 442 L C -0.964 175.960 176.870 0.091 0.000 1.121 442 L CA -0.038 54.813 54.840 0.019 0.000 0.845 442 L CB 0.495 42.387 42.059 -0.279 0.000 1.143 442 L HN 0.638 nan 8.230 nan 0.000 0.452 443 V N 6.597 126.557 119.914 0.075 0.000 2.588 443 V HA 0.511 4.632 4.120 0.001 0.000 0.304 443 V C 0.024 176.193 176.094 0.126 0.000 1.042 443 V CA -0.581 61.767 62.300 0.080 0.000 0.877 443 V CB 1.624 33.401 31.823 -0.077 0.000 0.996 443 V HN 0.728 nan 8.190 nan 0.000 0.425 444 L N 3.273 124.607 121.223 0.186 0.000 2.319 444 L HA 0.728 5.068 4.340 0.001 0.000 0.267 444 L C -0.347 176.621 176.870 0.163 0.000 1.011 444 L CA -0.611 54.334 54.840 0.176 0.000 0.818 444 L CB 2.307 44.475 42.059 0.182 0.000 1.316 444 L HN 0.658 nan 8.230 nan 0.000 0.432 445 E N 1.078 121.345 120.200 0.111 0.000 2.218 445 E HA 0.656 5.007 4.350 0.001 0.000 0.263 445 E C -1.542 174.986 176.600 -0.120 0.000 0.879 445 E CA -0.600 55.802 56.400 0.003 0.000 0.762 445 E CB 2.041 31.812 29.700 0.120 0.000 1.166 445 E HN 0.685 nan 8.360 nan 0.000 0.415 446 A N 3.653 126.332 122.820 -0.234 0.000 2.330 446 A HA 0.695 5.016 4.320 0.001 0.000 0.327 446 A C -0.850 176.591 177.584 -0.237 0.000 1.155 446 A CA -0.536 51.352 52.037 -0.249 0.000 0.803 446 A CB 1.377 20.199 19.000 -0.295 0.000 1.208 446 A HN 0.423 nan 8.150 nan 0.000 0.477 447 V N 0.000 119.820 119.914 -0.157 0.000 2.409 447 V HA 0.000 4.121 4.120 0.001 0.000 0.244 447 V CA 0.000 62.233 62.300 -0.111 0.000 1.235 447 V CB 0.000 31.781 31.823 -0.071 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556