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 1fr1_1_B DATA FIRST_RESID 1 DATA SEQUENCE AAKTEQQIAD IVNRTITPLM QEQAIPGMAV AIIYQGKPYY FTWGKADIAN DATA SEQUENCE NRPVTQQTLF ELGSVSKTFN GVLGGDAIAR GEIKLSDPVT QYWPELTGKQ DATA SEQUENCE WQGISLLHLA TYTAGGLPLQ VPDDVTDKAA LLRFYQNWQP QWAPGAKRLY DATA SEQUENCE ANSSIGLFGA LAVKPSGMSY EEAMSKRVLH PLKLAHTWIT VPQSEQKDYA DATA SEQUENCE WGYREGKPVH VSPGQLDAEA YGVKSSVIDM TRWVQANMDA SQVQEKTLQQ DATA SEQUENCE GIELAQSRYW RIGDMYQGLG WEMLNWPVKA DSIISGSDSK VALAALPAVE DATA SEQUENCE VNPPAPAVKA SWVHKTGSTG GFGSYVAFVP EKNLGIVMLA NKSYPNPVRV DATA SEQUENCE EAAWRILEKL Q 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.666 177.584 0.137 0.000 1.274 1 A CA 0.000 52.103 52.037 0.110 0.000 0.836 1 A CB 0.000 19.038 19.000 0.064 0.000 0.831 2 A N 0.357 123.280 122.820 0.172 0.000 1.854 2 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 2 A C 1.052 178.713 177.584 0.129 0.000 1.192 2 A CA 1.082 53.204 52.037 0.142 0.000 0.611 2 A CB -0.166 18.918 19.000 0.141 0.000 0.832 2 A HN 0.209 nan 8.150 nan 0.000 0.442 3 K N 1.580 122.085 120.400 0.175 0.000 2.234 3 K HA 0.346 4.666 4.320 -0.000 0.000 0.282 3 K C 0.223 176.829 176.600 0.010 0.000 1.039 3 K CA 0.039 56.296 56.287 -0.049 0.000 0.928 3 K CB 0.851 33.137 32.500 -0.356 0.000 1.039 3 K HN 0.534 nan 8.250 nan 0.000 0.470 4 T N -2.142 112.398 114.554 -0.023 0.000 2.874 4 T HA 0.120 4.470 4.350 -0.000 0.000 0.281 4 T C 1.315 175.971 174.700 -0.073 0.000 0.994 4 T CA -0.574 61.531 62.100 0.008 0.000 1.015 4 T CB 1.156 70.034 68.868 0.016 0.000 1.028 4 T HN 0.631 nan 8.240 nan 0.000 0.523 5 E N 0.150 120.337 120.200 -0.021 0.000 2.097 5 E HA -0.308 4.042 4.350 -0.000 0.000 0.196 5 E C 2.068 178.615 176.600 -0.087 0.000 1.000 5 E CA 1.578 57.913 56.400 -0.108 0.000 0.804 5 E CB -0.152 29.627 29.700 0.131 0.000 0.740 5 E HN 0.811 nan 8.360 nan 0.000 0.454 6 Q N -0.086 119.701 119.800 -0.022 0.000 2.167 6 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 6 Q C 2.037 178.018 176.000 -0.032 0.000 0.970 6 Q CA 1.523 57.324 55.803 -0.002 0.000 0.855 6 Q CB 0.038 28.784 28.738 0.014 0.000 0.911 6 Q HN 0.480 nan 8.270 nan 0.000 0.438 7 Q N -0.046 119.712 119.800 -0.070 0.000 2.230 7 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 7 Q C 2.099 178.018 176.000 -0.134 0.000 0.963 7 Q CA 0.883 56.633 55.803 -0.089 0.000 0.866 7 Q CB 0.096 28.781 28.738 -0.090 0.000 0.931 7 Q HN 0.457 nan 8.270 nan 0.000 0.452 8 I N 0.915 121.370 120.570 -0.193 0.000 2.202 8 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 8 I C 2.477 178.504 176.117 -0.150 0.000 1.091 8 I CA 0.936 62.094 61.300 -0.236 0.000 1.368 8 I CB -0.399 37.348 38.000 -0.422 0.000 1.058 8 I HN 0.141 nan 8.210 nan 0.000 0.410 9 A N 0.611 123.417 122.820 -0.023 0.000 1.917 9 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 9 A C 1.865 179.421 177.584 -0.047 0.000 1.182 9 A CA 2.515 54.579 52.037 0.046 0.000 0.633 9 A CB -0.829 18.300 19.000 0.215 0.000 0.819 9 A HN 0.385 nan 8.150 nan 0.000 0.448 10 D N -0.215 120.165 120.400 -0.033 0.000 2.097 10 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 10 D C 1.778 178.042 176.300 -0.060 0.000 0.989 10 D CA 1.387 55.370 54.000 -0.029 0.000 0.827 10 D CB -0.268 40.519 40.800 -0.022 0.000 0.966 10 D HN 0.514 nan 8.370 nan 0.000 0.456 11 I N 0.090 120.604 120.570 -0.093 0.000 2.163 11 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 11 I C 2.234 178.280 176.117 -0.118 0.000 1.085 11 I CA 0.696 61.935 61.300 -0.101 0.000 1.347 11 I CB -0.211 37.716 38.000 -0.122 0.000 1.044 11 I HN -0.046 nan 8.210 nan 0.000 0.408 12 V N 0.947 120.746 119.914 -0.192 0.000 2.270 12 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 12 V C 2.191 178.209 176.094 -0.126 0.000 1.043 12 V CA 1.922 64.073 62.300 -0.248 0.000 1.014 12 V CB -0.825 30.636 31.823 -0.604 0.000 0.645 12 V HN 0.447 nan 8.190 nan 0.000 0.447 13 N N 0.171 118.841 118.700 -0.050 0.000 2.104 13 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 13 N C 2.045 177.537 175.510 -0.029 0.000 1.024 13 N CA 1.492 54.579 53.050 0.061 0.000 0.853 13 N CB -0.254 38.321 38.487 0.145 0.000 1.008 13 N HN 0.450 nan 8.380 nan 0.000 0.424 14 R N 0.181 120.657 120.500 -0.039 0.000 2.105 14 R HA -0.051 4.289 4.340 -0.000 0.000 0.239 14 R C 2.132 178.392 176.300 -0.066 0.000 1.135 14 R CA 1.529 57.603 56.100 -0.044 0.000 0.967 14 R CB -0.196 30.083 30.300 -0.035 0.000 0.861 14 R HN 0.263 nan 8.270 nan 0.000 0.442 15 T N 0.879 115.384 114.554 -0.081 0.000 2.735 15 T HA 0.002 4.352 4.350 -0.000 0.000 0.256 15 T C 1.784 176.399 174.700 -0.142 0.000 1.042 15 T CA 0.739 62.790 62.100 -0.082 0.000 1.147 15 T CB 0.014 68.852 68.868 -0.050 0.000 0.865 15 T HN 0.022 nan 8.240 nan 0.000 0.421 16 I N 1.694 122.122 120.570 -0.237 0.000 2.353 16 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 16 I C 2.637 178.478 176.117 -0.461 0.000 1.119 16 I CA 1.228 62.273 61.300 -0.425 0.000 1.417 16 I CB -1.796 35.723 38.000 -0.802 0.000 1.078 16 I HN 0.248 nan 8.210 nan 0.000 0.421 17 T N 2.388 116.720 114.554 -0.370 0.000 2.607 17 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 17 T C -0.224 174.358 174.700 -0.197 0.000 1.049 17 T CA 2.087 64.024 62.100 -0.272 0.000 1.162 17 T CB -1.168 67.620 68.868 -0.133 0.000 0.863 17 T HN 0.223 nan 8.240 nan 0.000 0.424 18 P HA -0.012 nan 4.420 nan 0.000 0.218 18 P C 1.590 178.813 177.300 -0.129 0.000 1.148 18 P CA 0.625 63.659 63.100 -0.110 0.000 0.822 18 P CB -0.159 31.494 31.700 -0.078 0.000 0.784 19 L N -1.329 119.794 121.223 -0.167 0.000 2.005 19 L HA -0.079 4.260 4.340 -0.000 0.000 0.207 19 L C 2.405 179.128 176.870 -0.246 0.000 1.072 19 L CA 1.901 56.628 54.840 -0.188 0.000 0.744 19 L CB -1.036 40.907 42.059 -0.194 0.000 0.895 19 L HN -0.171 nan 8.230 nan 0.000 0.433 20 M N -1.143 118.289 119.600 -0.280 0.000 2.108 20 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 20 M C 2.367 178.559 176.300 -0.180 0.000 1.066 20 M CA 1.891 57.038 55.300 -0.257 0.000 1.107 20 M CB -0.545 31.896 32.600 -0.265 0.000 1.356 20 M HN 0.442 nan 8.290 nan 0.000 0.406 21 Q N 0.536 120.246 119.800 -0.151 0.000 1.993 21 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 21 Q C 1.952 177.898 176.000 -0.090 0.000 0.984 21 Q CA 2.013 57.753 55.803 -0.104 0.000 0.837 21 Q CB -0.029 28.657 28.738 -0.085 0.000 0.902 21 Q HN 0.416 nan 8.270 nan 0.000 0.423 22 E N -0.212 119.934 120.200 -0.089 0.000 2.110 22 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 22 E C 1.705 178.265 176.600 -0.066 0.000 0.988 22 E CA 1.383 57.743 56.400 -0.066 0.000 0.804 22 E CB 0.181 29.847 29.700 -0.056 0.000 0.745 22 E HN 0.308 nan 8.360 nan 0.000 0.458 23 Q N -0.750 118.985 119.800 -0.108 0.000 2.360 23 Q HA 0.236 4.575 4.340 -0.000 0.000 0.202 23 Q C 0.337 176.279 176.000 -0.098 0.000 0.915 23 Q CA 0.610 56.348 55.803 -0.108 0.000 0.943 23 Q CB 0.849 29.453 28.738 -0.224 0.000 1.064 23 Q HN 0.354 nan 8.270 nan 0.000 0.511 24 A N 1.217 123.977 122.820 -0.100 0.000 2.739 24 A HA -0.201 4.119 4.320 -0.000 0.000 0.296 24 A C 0.025 177.553 177.584 -0.094 0.000 1.488 24 A CA 0.328 52.315 52.037 -0.084 0.000 0.746 24 A CB -2.392 16.578 19.000 -0.049 0.000 1.047 24 A HN 0.374 nan 8.150 nan 0.000 0.477 25 I N -0.286 120.204 120.570 -0.133 0.000 2.342 25 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 25 I C -0.804 175.268 176.117 -0.075 0.000 1.010 25 I CA -2.211 59.025 61.300 -0.108 0.000 1.308 25 I CB 1.322 39.202 38.000 -0.201 0.000 1.400 25 I HN 0.107 nan 8.210 nan 0.000 0.488 26 P HA -0.009 nan 4.420 nan 0.000 0.214 26 P C 0.361 177.686 177.300 0.042 0.000 1.162 26 P CA 0.568 63.617 63.100 -0.086 0.000 0.879 26 P CB 0.262 31.808 31.700 -0.256 0.000 0.786 27 G N -1.679 107.211 108.800 0.150 0.000 2.696 27 G HA2 0.697 4.657 3.960 -0.000 0.000 0.295 27 G HA3 0.697 4.657 3.960 -0.000 0.000 0.295 27 G C -1.861 173.266 174.900 0.377 0.000 1.398 27 G CA -0.376 44.893 45.100 0.281 0.000 0.920 27 G HN 0.037 nan 8.290 nan 0.000 0.492 28 M N 0.476 120.343 119.600 0.445 0.000 2.520 28 M HA 0.727 5.207 4.480 -0.000 0.000 0.283 28 M C -1.368 175.240 176.300 0.512 0.000 1.237 28 M CA -0.664 54.879 55.300 0.404 0.000 0.885 28 M CB 2.507 35.266 32.600 0.264 0.000 1.727 28 M HN 0.960 nan 8.290 nan 0.000 0.468 29 A N 2.800 125.798 122.820 0.295 0.000 2.374 29 A HA 0.821 5.141 4.320 -0.000 0.000 0.305 29 A C -1.784 175.987 177.584 0.313 0.000 1.053 29 A CA -0.580 51.629 52.037 0.288 0.000 0.726 29 A CB 1.558 20.631 19.000 0.122 0.000 1.229 29 A HN 0.583 nan 8.150 nan 0.000 0.431 30 V N 0.900 121.088 119.914 0.456 0.000 2.823 30 V HA 0.863 4.983 4.120 -0.000 0.000 0.312 30 V C 0.108 176.480 176.094 0.463 0.000 1.072 30 V CA -0.192 62.377 62.300 0.448 0.000 0.937 30 V CB 2.001 34.139 31.823 0.526 0.000 1.013 30 V HN 1.459 nan 8.190 nan 0.000 0.430 31 A N 4.856 127.898 122.820 0.371 0.000 2.359 31 A HA 0.849 5.169 4.320 -0.000 0.000 0.303 31 A C -1.113 176.621 177.584 0.250 0.000 1.066 31 A CA -0.447 51.764 52.037 0.291 0.000 0.730 31 A CB 1.071 20.227 19.000 0.259 0.000 1.211 31 A HN 0.638 nan 8.150 nan 0.000 0.439 32 I N 3.216 123.944 120.570 0.262 0.000 2.378 32 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 32 I C -0.910 175.339 176.117 0.221 0.000 0.992 32 I CA -0.432 61.016 61.300 0.247 0.000 1.154 32 I CB 1.654 39.829 38.000 0.292 0.000 1.315 32 I HN 0.551 nan 8.210 nan 0.000 0.448 33 I N 7.469 128.135 120.570 0.159 0.000 2.354 33 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 33 I C -1.019 175.214 176.117 0.193 0.000 1.007 33 I CA -0.630 60.738 61.300 0.114 0.000 1.167 33 I CB 1.155 39.156 38.000 0.002 0.000 1.320 33 I HN 0.374 nan 8.210 nan 0.000 0.458 34 Y N 6.340 126.704 120.300 0.108 0.000 2.326 34 Y HA 0.270 4.819 4.550 -0.000 0.000 0.331 34 Y C 0.218 176.155 175.900 0.061 0.000 0.962 34 Y CA -0.913 57.243 58.100 0.095 0.000 1.167 34 Y CB 0.894 39.451 38.460 0.161 0.000 1.148 34 Y HN 0.626 nan 8.280 nan 0.000 0.463 35 Q N 4.314 123.882 119.800 -0.387 0.000 2.481 35 Q HA -0.248 4.092 4.340 -0.000 0.000 0.272 35 Q C 1.072 176.961 176.000 -0.186 0.000 1.157 35 Q CA 1.365 56.958 55.803 -0.351 0.000 0.935 35 Q CB -1.904 26.559 28.738 -0.458 0.000 1.338 35 Q HN 1.501 nan 8.270 nan 0.000 0.494 36 G N -0.484 108.235 108.800 -0.135 0.000 2.176 36 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 36 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 36 G C 0.120 174.952 174.900 -0.113 0.000 0.979 36 G CA 0.627 45.656 45.100 -0.119 0.000 0.641 36 G HN 0.263 nan 8.290 nan 0.000 0.530 37 K N 2.011 122.351 120.400 -0.100 0.000 2.234 37 K HA 0.550 4.870 4.320 -0.000 0.000 0.277 37 K C -2.279 174.156 176.600 -0.274 0.000 1.038 37 K CA -2.041 54.126 56.287 -0.201 0.000 0.888 37 K CB 1.926 34.325 32.500 -0.169 0.000 1.091 37 K HN 0.114 nan 8.250 nan 0.000 0.467 38 P HA 0.199 nan 4.420 nan 0.000 0.288 38 P C -1.463 175.339 177.300 -0.830 0.000 1.267 38 P CA -0.423 62.399 63.100 -0.463 0.000 0.815 38 P CB 0.708 32.178 31.700 -0.383 0.000 0.989 39 Y N 1.335 121.294 120.300 -0.569 0.000 2.354 39 Y HA 0.405 4.955 4.550 -0.000 0.000 0.330 39 Y C -0.175 175.265 175.900 -0.768 0.000 1.011 39 Y CA -0.517 57.225 58.100 -0.598 0.000 1.099 39 Y CB 1.657 39.974 38.460 -0.239 0.000 1.179 39 Y HN 0.283 nan 8.280 nan 0.000 0.442 40 Y N 2.702 122.810 120.300 -0.320 0.000 2.387 40 Y HA 0.717 5.267 4.550 -0.000 0.000 0.330 40 Y C -0.881 174.618 175.900 -0.667 0.000 1.133 40 Y CA -1.299 56.629 58.100 -0.287 0.000 1.152 40 Y CB 1.267 39.641 38.460 -0.143 0.000 1.215 40 Y HN 0.364 nan 8.280 nan 0.000 0.466 41 F N 0.235 120.235 119.950 0.082 0.000 2.581 41 F HA 0.618 5.145 4.527 -0.000 0.000 0.311 41 F C -0.500 175.106 175.800 -0.324 0.000 1.113 41 F CA -0.965 56.878 58.000 -0.263 0.000 0.935 41 F CB 2.438 41.212 39.000 -0.378 0.000 1.232 41 F HN 0.418 nan 8.300 nan 0.000 0.445 42 T N -1.108 113.215 114.554 -0.386 0.000 2.912 42 T HA 0.657 5.007 4.350 -0.000 0.000 0.299 42 T C -1.543 172.990 174.700 -0.279 0.000 1.052 42 T CA -0.765 61.255 62.100 -0.133 0.000 0.996 42 T CB 1.638 70.535 68.868 0.048 0.000 1.070 42 T HN 0.621 nan 8.240 nan 0.000 0.465 43 W N 0.623 122.033 121.300 0.183 0.000 3.127 43 W HA 0.541 5.200 4.660 -0.000 0.000 0.330 43 W C 0.733 177.332 176.519 0.133 0.000 1.187 43 W CA -0.373 57.054 57.345 0.136 0.000 1.198 43 W CB 1.823 31.345 29.460 0.104 0.000 1.408 43 W HN 1.393 nan 8.180 nan 0.000 0.529 44 G N 2.163 111.171 108.800 0.346 0.000 2.642 44 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.231 44 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.231 44 G C -1.112 173.892 174.900 0.173 0.000 1.338 44 G CA -0.428 44.803 45.100 0.219 0.000 0.883 44 G HN 0.384 nan 8.290 nan 0.000 0.570 45 K N -0.010 120.464 120.400 0.123 0.000 2.138 45 K HA 0.746 5.066 4.320 -0.000 0.000 0.263 45 K C 1.103 177.790 176.600 0.144 0.000 0.965 45 K CA 0.273 56.623 56.287 0.106 0.000 0.868 45 K CB 1.618 34.144 32.500 0.043 0.000 1.083 45 K HN 0.958 nan 8.250 nan 0.000 0.443 46 A N 1.859 124.775 122.820 0.160 0.000 1.997 46 A HA 0.035 4.354 4.320 -0.000 0.000 0.212 46 A C 0.037 177.794 177.584 0.288 0.000 1.178 46 A CA 0.912 53.053 52.037 0.173 0.000 0.698 46 A CB 0.205 19.264 19.000 0.098 0.000 0.842 46 A HN 0.638 nan 8.150 nan 0.000 0.458 47 D N -0.840 119.719 120.400 0.266 0.000 2.542 47 D HA 0.442 5.082 4.640 -0.000 0.000 0.252 47 D C 0.603 177.020 176.300 0.196 0.000 1.222 47 D CA -0.443 53.767 54.000 0.349 0.000 0.895 47 D CB 0.821 41.829 40.800 0.346 0.000 1.207 47 D HN 0.144 nan 8.370 nan 0.000 0.558 48 I N 2.412 123.074 120.570 0.152 0.000 2.133 48 I HA -0.179 3.991 4.170 -0.000 0.000 0.238 48 I C 2.513 178.640 176.117 0.016 0.000 1.074 48 I CA 1.091 62.384 61.300 -0.011 0.000 1.342 48 I CB -0.228 37.652 38.000 -0.199 0.000 1.053 48 I HN 0.477 nan 8.210 nan 0.000 0.404 49 A N 1.137 123.971 122.820 0.025 0.000 1.881 49 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 49 A C 1.891 179.486 177.584 0.018 0.000 1.215 49 A CA 2.682 54.719 52.037 0.000 0.000 0.648 49 A CB -1.264 17.713 19.000 -0.037 0.000 0.832 49 A HN 0.585 nan 8.150 nan 0.000 0.455 50 N N 0.443 119.172 118.700 0.049 0.000 2.322 50 N HA 0.009 4.749 4.740 -0.000 0.000 0.194 50 N C -0.613 174.934 175.510 0.063 0.000 1.126 50 N CA 0.339 53.424 53.050 0.059 0.000 0.845 50 N CB -0.241 38.303 38.487 0.095 0.000 0.976 50 N HN 0.714 nan 8.380 nan 0.000 0.475 51 N N 1.193 119.928 118.700 0.058 0.000 2.725 51 N HA -0.264 4.476 4.740 -0.000 0.000 0.280 51 N C -1.200 174.350 175.510 0.066 0.000 1.017 51 N CA 0.489 53.572 53.050 0.055 0.000 0.813 51 N CB -0.851 37.656 38.487 0.034 0.000 0.931 51 N HN 0.354 nan 8.380 nan 0.000 0.570 52 R N 0.921 121.475 120.500 0.090 0.000 2.265 52 R HA 0.428 4.768 4.340 -0.000 0.000 0.319 52 R C -2.083 174.274 176.300 0.096 0.000 1.006 52 R CA -1.592 54.562 56.100 0.089 0.000 0.880 52 R CB 1.235 31.597 30.300 0.103 0.000 1.077 52 R HN 0.294 nan 8.270 nan 0.000 0.454 53 P HA 0.078 nan 4.420 nan 0.000 0.276 53 P C -0.331 177.038 177.300 0.115 0.000 1.252 53 P CA -0.437 62.723 63.100 0.099 0.000 0.802 53 P CB 0.824 32.573 31.700 0.082 0.000 1.035 54 V N 1.662 121.669 119.914 0.156 0.000 2.530 54 V HA 0.265 4.385 4.120 -0.000 0.000 0.282 54 V C 0.871 177.061 176.094 0.160 0.000 1.048 54 V CA 0.711 63.134 62.300 0.205 0.000 0.997 54 V CB 0.641 32.670 31.823 0.343 0.000 0.987 54 V HN 0.659 nan 8.190 nan 0.000 0.477 55 T N 3.196 117.838 114.554 0.147 0.000 2.887 55 T HA 0.254 4.603 4.350 -0.000 0.000 0.292 55 T C 0.690 175.446 174.700 0.093 0.000 1.087 55 T CA -0.536 61.616 62.100 0.086 0.000 1.009 55 T CB 1.895 70.794 68.868 0.051 0.000 1.203 55 T HN 0.672 nan 8.240 nan 0.000 0.518 56 Q N 0.039 119.843 119.800 0.008 0.000 2.437 56 Q HA -0.088 4.251 4.340 -0.000 0.000 0.210 56 Q C 1.368 177.319 176.000 -0.081 0.000 0.972 56 Q CA 1.034 56.800 55.803 -0.061 0.000 0.903 56 Q CB 0.053 28.670 28.738 -0.202 0.000 0.967 56 Q HN 0.556 nan 8.270 nan 0.000 0.486 57 Q N -0.347 119.420 119.800 -0.055 0.000 2.194 57 Q HA 0.118 4.457 4.340 -0.000 0.000 0.214 57 Q C 0.425 176.440 176.000 0.026 0.000 0.838 57 Q CA -0.011 55.731 55.803 -0.101 0.000 0.972 57 Q CB 0.467 29.095 28.738 -0.183 0.000 1.131 57 Q HN -0.004 nan 8.270 nan 0.000 0.498 58 T N 0.521 115.133 114.554 0.096 0.000 2.901 58 T HA 0.360 4.710 4.350 -0.000 0.000 0.301 58 T C -0.045 174.700 174.700 0.076 0.000 1.012 58 T CA -0.526 61.605 62.100 0.051 0.000 1.135 58 T CB 0.382 69.231 68.868 -0.033 0.000 0.936 58 T HN 0.225 nan 8.240 nan 0.000 0.539 59 L N 4.379 125.596 121.223 -0.010 0.000 2.305 59 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 59 L C -0.378 176.437 176.870 -0.092 0.000 1.085 59 L CA -0.797 54.049 54.840 0.009 0.000 0.813 59 L CB 0.442 42.431 42.059 -0.117 0.000 1.157 59 L HN 0.613 nan 8.230 nan 0.000 0.436 60 F N 0.378 120.382 119.950 0.090 0.000 2.538 60 F HA 0.373 4.899 4.527 -0.000 0.000 0.325 60 F C 0.463 176.027 175.800 -0.395 0.000 1.066 60 F CA -0.826 57.217 58.000 0.072 0.000 0.946 60 F CB 1.553 40.739 39.000 0.309 0.000 1.199 60 F HN 0.417 nan 8.300 nan 0.000 0.473 61 E N 2.378 121.992 120.200 -0.978 0.000 2.259 61 E HA 0.182 4.532 4.350 -0.000 0.000 0.281 61 E C 0.433 176.922 176.600 -0.186 0.000 1.037 61 E CA -0.102 55.897 56.400 -0.669 0.000 0.854 61 E CB 0.981 30.150 29.700 -0.884 0.000 1.051 61 E HN 0.620 nan 8.360 nan 0.000 0.409 62 L N 2.771 123.964 121.223 -0.049 0.000 2.341 62 L HA 0.053 4.393 4.340 -0.000 0.000 0.214 62 L C 1.532 178.473 176.870 0.119 0.000 1.115 62 L CA 0.600 55.484 54.840 0.074 0.000 0.820 62 L CB -0.755 41.330 42.059 0.043 0.000 0.944 62 L HN 0.923 nan 8.230 nan 0.000 0.452 63 G N 0.621 109.486 108.800 0.110 0.000 2.660 63 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.321 63 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.321 63 G C 0.934 175.961 174.900 0.210 0.000 1.246 63 G CA 0.600 45.805 45.100 0.175 0.000 1.000 63 G HN 0.251 nan 8.290 nan 0.000 0.550 64 S N 0.129 115.959 115.700 0.216 0.000 2.547 64 S HA 0.090 4.560 4.470 -0.000 0.000 0.235 64 S C 2.263 176.979 174.600 0.193 0.000 0.980 64 S CA 1.191 59.533 58.200 0.237 0.000 0.941 64 S CB -0.013 63.368 63.200 0.302 0.000 0.763 64 S HN 0.647 nan 8.310 nan 0.000 0.532 65 V N 1.276 121.291 119.914 0.168 0.000 2.970 65 V HA -0.083 4.037 4.120 -0.000 0.000 0.260 65 V C 2.113 178.314 176.094 0.177 0.000 1.100 65 V CA 1.191 63.579 62.300 0.145 0.000 1.122 65 V CB -0.650 31.281 31.823 0.180 0.000 0.721 65 V HN 0.428 nan 8.190 nan 0.000 0.483 66 S N -0.242 115.559 115.700 0.168 0.000 2.419 66 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 66 S C 1.961 176.678 174.600 0.195 0.000 1.019 66 S CA 1.300 59.591 58.200 0.152 0.000 0.982 66 S CB -0.233 62.997 63.200 0.051 0.000 0.789 66 S HN 0.624 nan 8.310 nan 0.000 0.490 67 K N 0.694 121.186 120.400 0.154 0.000 2.211 67 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 67 K C 2.482 179.130 176.600 0.079 0.000 1.050 67 K CA 1.585 57.957 56.287 0.142 0.000 0.945 67 K CB -0.382 32.229 32.500 0.185 0.000 0.732 67 K HN 0.586 nan 8.250 nan 0.000 0.451 68 T N -1.233 113.282 114.554 -0.065 0.000 2.867 68 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 68 T C 1.698 176.419 174.700 0.035 0.000 1.057 68 T CA 0.855 62.754 62.100 -0.335 0.000 1.136 68 T CB -0.316 67.921 68.868 -1.051 0.000 0.874 68 T HN 0.013 nan 8.240 nan 0.000 0.466 69 F N 2.498 122.489 119.950 0.068 0.000 2.259 69 F HA 0.148 4.674 4.527 -0.000 0.000 0.298 69 F C 2.646 178.496 175.800 0.084 0.000 1.088 69 F CA 0.772 58.773 58.000 0.002 0.000 1.358 69 F CB -0.580 38.242 39.000 -0.297 0.000 1.040 69 F HN 0.245 nan 8.300 nan 0.000 0.505 70 N N 0.898 119.781 118.700 0.305 0.000 2.106 70 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 70 N C 2.165 177.839 175.510 0.273 0.000 1.029 70 N CA 1.728 54.961 53.050 0.306 0.000 0.848 70 N CB -0.926 37.737 38.487 0.293 0.000 1.007 70 N HN 0.255 nan 8.380 nan 0.000 0.423 71 G N 1.078 110.030 108.800 0.254 0.000 2.514 71 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 71 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 71 G C 1.744 176.800 174.900 0.259 0.000 1.198 71 G CA 1.409 46.662 45.100 0.254 0.000 0.780 71 G HN 0.252 nan 8.290 nan 0.000 0.565 72 V N 0.664 120.738 119.914 0.266 0.000 2.392 72 V HA -0.150 3.970 4.120 -0.000 0.000 0.249 72 V C 2.707 178.916 176.094 0.191 0.000 1.059 72 V CA 1.739 64.194 62.300 0.259 0.000 1.051 72 V CB -0.380 31.661 31.823 0.363 0.000 0.658 72 V HN 0.357 nan 8.190 nan 0.000 0.455 73 L N 0.832 122.147 121.223 0.154 0.000 2.109 73 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 73 L C 2.269 179.159 176.870 0.034 0.000 1.086 73 L CA 2.217 57.084 54.840 0.045 0.000 0.760 73 L CB -1.017 41.004 42.059 -0.063 0.000 0.910 73 L HN 0.238 nan 8.230 nan 0.000 0.437 74 G N -0.914 107.944 108.800 0.097 0.000 2.414 74 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 74 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 74 G C 1.539 176.538 174.900 0.166 0.000 1.188 74 G CA 0.534 45.719 45.100 0.141 0.000 0.783 74 G HN 0.558 nan 8.290 nan 0.000 0.537 75 G N 0.976 109.887 108.800 0.185 0.000 2.624 75 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.221 75 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.221 75 G C 1.487 176.450 174.900 0.104 0.000 1.169 75 G CA 1.737 46.927 45.100 0.151 0.000 0.771 75 G HN 0.539 nan 8.290 nan 0.000 0.598 76 D N 0.422 120.872 120.400 0.084 0.000 2.117 76 D HA 0.063 4.702 4.640 -0.000 0.000 0.197 76 D C 2.679 179.002 176.300 0.038 0.000 0.987 76 D CA 1.684 55.715 54.000 0.052 0.000 0.829 76 D CB -0.371 40.453 40.800 0.040 0.000 0.961 76 D HN 0.297 nan 8.370 nan 0.000 0.460 77 A N 0.306 123.144 122.820 0.030 0.000 1.902 77 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 77 A C 2.394 180.005 177.584 0.046 0.000 1.181 77 A CA 1.264 53.313 52.037 0.020 0.000 0.623 77 A CB -0.839 18.153 19.000 -0.013 0.000 0.818 77 A HN 0.410 nan 8.150 nan 0.000 0.443 78 I N -0.249 120.364 120.570 0.071 0.000 2.099 78 I HA -0.334 3.836 4.170 -0.000 0.000 0.239 78 I C 3.010 179.165 176.117 0.063 0.000 1.066 78 I CA 1.309 62.657 61.300 0.081 0.000 1.324 78 I CB -0.558 37.503 38.000 0.102 0.000 1.037 78 I HN 0.374 nan 8.210 nan 0.000 0.401 79 A N 0.562 123.417 122.820 0.058 0.000 1.986 79 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 79 A C 2.304 179.908 177.584 0.033 0.000 1.171 79 A CA 1.685 53.748 52.037 0.043 0.000 0.640 79 A CB -0.647 18.377 19.000 0.040 0.000 0.811 79 A HN 0.395 nan 8.150 nan 0.000 0.451 80 R N -1.629 118.891 120.500 0.032 0.000 2.299 80 R HA 0.182 4.522 4.340 -0.000 0.000 0.197 80 R C 1.173 177.491 176.300 0.030 0.000 0.971 80 R CA 0.504 56.619 56.100 0.024 0.000 1.030 80 R CB -0.133 30.178 30.300 0.017 0.000 0.932 80 R HN 0.689 nan 8.270 nan 0.000 0.477 81 G N 1.467 110.291 108.800 0.040 0.000 2.246 81 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.273 81 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.273 81 G C 0.292 175.225 174.900 0.055 0.000 1.055 81 G CA 0.566 45.694 45.100 0.047 0.000 0.851 81 G HN 0.453 nan 8.290 nan 0.000 0.500 82 E N -1.102 119.134 120.200 0.061 0.000 2.251 82 E HA 0.317 4.666 4.350 -0.000 0.000 0.194 82 E C 1.446 178.122 176.600 0.126 0.000 0.964 82 E CA 0.976 57.420 56.400 0.074 0.000 0.868 82 E CB 0.346 30.078 29.700 0.053 0.000 0.828 82 E HN 0.901 nan 8.360 nan 0.000 0.481 83 I N -2.933 117.708 120.570 0.117 0.000 3.264 83 I HA 0.539 4.709 4.170 -0.000 0.000 0.315 83 I C -1.075 175.122 176.117 0.134 0.000 1.154 83 I CA -1.197 60.202 61.300 0.164 0.000 0.962 83 I CB 2.193 40.224 38.000 0.051 0.000 1.265 83 I HN -0.368 nan 8.210 nan 0.000 0.463 84 K N 1.443 121.933 120.400 0.150 0.000 2.464 84 K HA 0.537 4.857 4.320 -0.000 0.000 0.253 84 K C 0.019 176.684 176.600 0.108 0.000 0.933 84 K CA -0.741 55.617 56.287 0.118 0.000 0.801 84 K CB 2.372 34.940 32.500 0.114 0.000 1.271 84 K HN 0.742 nan 8.250 nan 0.000 0.430 85 L N 1.352 122.621 121.223 0.077 0.000 2.353 85 L HA -0.135 4.205 4.340 -0.000 0.000 0.220 85 L C 1.630 178.515 176.870 0.025 0.000 1.133 85 L CA 1.289 56.144 54.840 0.024 0.000 0.798 85 L CB -0.227 41.818 42.059 -0.023 0.000 0.922 85 L HN 0.655 nan 8.230 nan 0.000 0.445 86 S N -2.938 112.799 115.700 0.060 0.000 2.558 86 S HA 0.026 4.496 4.470 -0.000 0.000 0.217 86 S C 0.539 175.210 174.600 0.118 0.000 0.975 86 S CA -0.474 57.768 58.200 0.069 0.000 0.912 86 S CB -0.283 62.956 63.200 0.065 0.000 0.776 86 S HN 0.213 nan 8.310 nan 0.000 0.526 87 D N 4.473 124.967 120.400 0.156 0.000 2.472 87 D HA 0.184 4.823 4.640 -0.000 0.000 0.237 87 D C -2.258 174.191 176.300 0.248 0.000 1.141 87 D CA -1.088 53.052 54.000 0.234 0.000 0.875 87 D CB 0.394 41.435 40.800 0.401 0.000 1.192 87 D HN 0.220 nan 8.370 nan 0.000 0.450 88 P HA -0.038 nan 4.420 nan 0.000 0.275 88 P C 0.911 178.403 177.300 0.319 0.000 1.228 88 P CA -0.393 62.856 63.100 0.249 0.000 0.786 88 P CB 1.174 32.987 31.700 0.188 0.000 0.927 89 V N 2.083 122.184 119.914 0.313 0.000 2.515 89 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 89 V C 2.027 178.278 176.094 0.262 0.000 1.058 89 V CA 2.800 65.283 62.300 0.305 0.000 1.064 89 V CB -1.837 30.143 31.823 0.261 0.000 0.675 89 V HN 0.725 nan 8.190 nan 0.000 0.461 90 T N -1.765 112.901 114.554 0.187 0.000 3.098 90 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 90 T C 1.753 176.502 174.700 0.082 0.000 1.145 90 T CA 1.602 63.761 62.100 0.099 0.000 1.092 90 T CB -0.445 68.467 68.868 0.072 0.000 0.908 90 T HN 0.738 nan 8.240 nan 0.000 0.526 91 Q N -0.513 119.337 119.800 0.083 0.000 2.311 91 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 91 Q C 1.148 176.960 176.000 -0.313 0.000 0.954 91 Q CA 0.966 56.690 55.803 -0.133 0.000 0.885 91 Q CB -0.124 28.494 28.738 -0.201 0.000 0.963 91 Q HN 0.786 nan 8.270 nan 0.000 0.471 92 Y N -2.523 117.819 120.300 0.070 0.000 2.524 92 Y HA 0.139 4.689 4.550 -0.000 0.000 0.270 92 Y C 0.103 176.062 175.900 0.100 0.000 1.094 92 Y CA -0.346 57.783 58.100 0.049 0.000 1.276 92 Y CB 0.720 39.190 38.460 0.016 0.000 1.130 92 Y HN 0.159 nan 8.280 nan 0.000 0.536 93 W N 2.963 124.279 121.300 0.025 0.000 2.533 93 W HA 0.412 5.072 4.660 -0.000 0.000 0.291 93 W C -2.717 173.749 176.519 -0.088 0.000 1.013 93 W CA -3.713 53.596 57.345 -0.061 0.000 1.436 93 W CB 1.161 30.541 29.460 -0.134 0.000 1.291 93 W HN -0.155 nan 8.180 nan 0.000 0.396 94 P HA -0.069 nan 4.420 nan 0.000 0.242 94 P C 0.917 178.173 177.300 -0.072 0.000 1.197 94 P CA 1.147 64.258 63.100 0.019 0.000 0.765 94 P CB 0.544 32.262 31.700 0.030 0.000 0.936 95 E N -0.331 119.758 120.200 -0.184 0.000 2.358 95 E HA 0.038 4.387 4.350 -0.000 0.000 0.195 95 E C 0.707 177.046 176.600 -0.435 0.000 1.010 95 E CA 0.341 56.550 56.400 -0.318 0.000 0.856 95 E CB -0.627 28.816 29.700 -0.429 0.000 0.795 95 E HN 0.301 nan 8.360 nan 0.000 0.504 96 L N 1.630 122.524 121.223 -0.549 0.000 2.391 96 L HA 0.106 4.446 4.340 -0.000 0.000 0.249 96 L C 0.900 177.642 176.870 -0.214 0.000 1.308 96 L CA -0.086 54.410 54.840 -0.573 0.000 1.209 96 L CB -0.080 41.379 42.059 -1.001 0.000 1.401 96 L HN 0.034 nan 8.230 nan 0.000 0.416 97 T N 0.454 114.936 114.554 -0.121 0.000 2.821 97 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 97 T C 1.391 176.124 174.700 0.054 0.000 1.046 97 T CA 0.821 62.907 62.100 -0.023 0.000 1.139 97 T CB -0.057 68.790 68.868 -0.036 0.000 0.871 97 T HN 0.727 nan 8.240 nan 0.000 0.454 98 G N 1.251 110.116 108.800 0.108 0.000 2.460 98 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.230 98 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.230 98 G C 0.788 175.781 174.900 0.155 0.000 1.248 98 G CA -0.127 45.065 45.100 0.153 0.000 0.863 98 G HN 0.224 nan 8.290 nan 0.000 0.549 99 K N 0.595 121.035 120.400 0.066 0.000 2.288 99 K HA -0.117 4.203 4.320 -0.000 0.000 0.201 99 K C 2.562 179.162 176.600 0.001 0.000 1.048 99 K CA 1.710 58.018 56.287 0.036 0.000 0.956 99 K CB -0.026 32.473 32.500 -0.002 0.000 0.746 99 K HN 0.652 nan 8.250 nan 0.000 0.461 100 Q N -0.646 119.111 119.800 -0.071 0.000 2.224 100 Q HA -0.179 4.160 4.340 -0.000 0.000 0.203 100 Q C 1.219 177.046 176.000 -0.289 0.000 0.970 100 Q CA 1.427 57.063 55.803 -0.278 0.000 0.865 100 Q CB -0.724 27.693 28.738 -0.535 0.000 0.922 100 Q HN 0.511 nan 8.270 nan 0.000 0.445 101 W N 1.494 122.817 121.300 0.039 0.000 2.905 101 W HA 0.099 4.759 4.660 -0.000 0.000 0.251 101 W C 2.354 178.926 176.519 0.089 0.000 1.305 101 W CA -0.040 57.370 57.345 0.108 0.000 1.465 101 W CB 0.265 29.776 29.460 0.085 0.000 1.122 101 W HN 0.122 nan 8.180 nan 0.000 0.659 102 Q N -0.270 119.658 119.800 0.212 0.000 2.029 102 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 102 Q C 1.824 177.919 176.000 0.158 0.000 0.999 102 Q CA 1.943 57.839 55.803 0.156 0.000 0.857 102 Q CB -1.077 27.715 28.738 0.090 0.000 0.926 102 Q HN 0.347 nan 8.270 nan 0.000 0.415 103 G N -0.150 108.728 108.800 0.129 0.000 3.959 103 G HA2 0.406 4.366 3.960 -0.000 0.000 0.298 103 G HA3 0.406 4.366 3.960 -0.000 0.000 0.298 103 G C -0.067 174.959 174.900 0.210 0.000 1.211 103 G CA -0.297 44.896 45.100 0.155 0.000 1.001 103 G HN 0.068 nan 8.290 nan 0.000 0.561 104 I N 2.142 122.873 120.570 0.268 0.000 2.336 104 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 104 I C 0.489 176.886 176.117 0.467 0.000 0.991 104 I CA -0.458 61.069 61.300 0.379 0.000 1.227 104 I CB 1.844 40.044 38.000 0.333 0.000 1.366 104 I HN 0.202 nan 8.210 nan 0.000 0.466 105 S N 5.731 121.783 115.700 0.588 0.000 2.739 105 S HA 0.530 5.000 4.470 -0.000 0.000 0.306 105 S C 1.015 175.722 174.600 0.179 0.000 1.115 105 S CA -0.926 57.440 58.200 0.277 0.000 0.985 105 S CB 1.485 64.736 63.200 0.085 0.000 1.133 105 S HN 0.569 nan 8.310 nan 0.000 0.541 106 L N 0.297 121.588 121.223 0.113 0.000 2.043 106 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 106 L C 2.585 179.367 176.870 -0.147 0.000 1.075 106 L CA 1.489 56.363 54.840 0.058 0.000 0.752 106 L CB -0.900 41.215 42.059 0.094 0.000 0.891 106 L HN 0.740 nan 8.230 nan 0.000 0.432 107 L N -0.156 120.950 121.223 -0.195 0.000 2.010 107 L HA -0.314 4.026 4.340 -0.000 0.000 0.219 107 L C 2.398 179.137 176.870 -0.219 0.000 1.077 107 L CA 2.104 56.780 54.840 -0.274 0.000 0.773 107 L CB -0.699 41.228 42.059 -0.220 0.000 0.892 107 L HN 0.256 nan 8.230 nan 0.000 0.436 108 H N -1.063 118.037 119.070 0.050 0.000 2.353 108 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 108 H C 2.186 177.471 175.328 -0.072 0.000 1.090 108 H CA 1.904 57.971 56.048 0.031 0.000 1.327 108 H CB -0.251 29.566 29.762 0.091 0.000 1.383 108 H HN 0.346 nan 8.280 nan 0.000 0.508 109 L N -0.050 121.202 121.223 0.049 0.000 2.109 109 L HA -0.093 4.246 4.340 -0.000 0.000 0.207 109 L C 2.779 179.525 176.870 -0.206 0.000 1.086 109 L CA 0.702 55.545 54.840 0.005 0.000 0.760 109 L CB -0.422 41.703 42.059 0.111 0.000 0.910 109 L HN 0.342 nan 8.230 nan 0.000 0.437 110 A N -0.011 122.530 122.820 -0.465 0.000 1.902 110 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 110 A C 2.109 179.265 177.584 -0.713 0.000 1.181 110 A CA 2.163 53.714 52.037 -0.811 0.000 0.623 110 A CB -0.765 17.380 19.000 -1.425 0.000 0.818 110 A HN 0.480 nan 8.150 nan 0.000 0.443 111 T N -5.878 108.342 114.554 -0.556 0.000 3.215 111 T HA 0.354 4.704 4.350 -0.000 0.000 0.271 111 T C 0.101 174.496 174.700 -0.509 0.000 1.012 111 T CA 0.094 61.863 62.100 -0.552 0.000 0.899 111 T CB -0.700 68.126 68.868 -0.071 0.000 1.089 111 T HN 0.671 nan 8.240 nan 0.000 0.552 112 Y N 0.681 120.935 120.300 -0.075 0.000 3.825 112 Y HA -0.264 4.286 4.550 -0.000 0.000 0.221 112 Y C 1.277 177.111 175.900 -0.109 0.000 1.195 112 Y CA 0.595 58.660 58.100 -0.059 0.000 1.699 112 Y CB -3.151 35.300 38.460 -0.015 0.000 1.531 112 Y HN 0.629 nan 8.280 nan 0.000 0.640 113 T N -4.522 109.975 114.554 -0.094 0.000 3.174 113 T HA 0.661 5.011 4.350 -0.000 0.000 0.269 113 T C 1.486 176.177 174.700 -0.016 0.000 1.017 113 T CA 0.161 62.148 62.100 -0.188 0.000 0.899 113 T CB 0.519 68.935 68.868 -0.754 0.000 1.077 113 T HN 0.515 nan 8.240 nan 0.000 0.552 114 A N 1.333 124.195 122.820 0.070 0.000 2.121 114 A HA 0.533 4.852 4.320 -0.000 0.000 0.218 114 A C 1.879 179.563 177.584 0.166 0.000 1.154 114 A CA 0.587 52.660 52.037 0.061 0.000 0.679 114 A CB -0.978 18.047 19.000 0.041 0.000 0.795 114 A HN 1.557 nan 8.150 nan 0.000 0.458 115 G N -2.941 106.027 108.800 0.279 0.000 2.327 115 G HA2 0.371 4.331 3.960 -0.000 0.000 0.159 115 G HA3 0.371 4.331 3.960 -0.000 0.000 0.159 115 G C 1.042 176.231 174.900 0.481 0.000 1.056 115 G CA 0.385 45.764 45.100 0.464 0.000 0.751 115 G HN 2.031 nan 8.290 nan 0.000 0.488 116 G N -1.210 107.884 108.800 0.491 0.000 2.135 116 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.183 116 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.183 116 G C 0.492 175.540 174.900 0.247 0.000 1.004 116 G CA 0.024 45.301 45.100 0.296 0.000 0.677 116 G HN 1.315 nan 8.290 nan 0.000 0.512 117 L N 2.170 123.407 121.223 0.022 0.000 2.514 117 L HA 0.235 4.575 4.340 -0.000 0.000 0.280 117 L C -0.801 176.104 176.870 0.059 0.000 1.223 117 L CA -1.073 53.639 54.840 -0.212 0.000 0.864 117 L CB 0.389 42.278 42.059 -0.283 0.000 1.118 117 L HN 0.111 nan 8.230 nan 0.000 0.494 118 P HA -0.012 nan 4.420 nan 0.000 0.274 118 P C 0.575 177.911 177.300 0.059 0.000 1.231 118 P CA -0.567 62.599 63.100 0.110 0.000 0.790 118 P CB 1.273 33.049 31.700 0.126 0.000 0.951 119 L N 0.911 122.164 121.223 0.049 0.000 2.021 119 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 119 L C 0.934 177.803 176.870 -0.001 0.000 1.074 119 L CA 2.084 56.935 54.840 0.018 0.000 0.760 119 L CB -0.445 41.643 42.059 0.048 0.000 0.889 119 L HN 0.416 nan 8.230 nan 0.000 0.433 120 Q N -1.117 118.677 119.800 -0.010 0.000 2.433 120 Q HA 0.399 4.739 4.340 -0.000 0.000 0.279 120 Q C -0.726 175.198 176.000 -0.127 0.000 1.105 120 Q CA -0.983 54.798 55.803 -0.036 0.000 0.815 120 Q CB 1.911 30.629 28.738 -0.033 0.000 1.403 120 Q HN -0.091 nan 8.270 nan 0.000 0.435 121 V N 2.397 122.196 119.914 -0.191 0.000 2.843 121 V HA 0.086 4.206 4.120 -0.000 0.000 0.305 121 V C -1.935 173.941 176.094 -0.364 0.000 1.065 121 V CA -0.839 61.183 62.300 -0.463 0.000 1.116 121 V CB 0.017 31.635 31.823 -0.341 0.000 0.968 121 V HN 0.628 nan 8.190 nan 0.000 0.487 122 P HA 0.022 nan 4.420 nan 0.000 0.267 122 P C 0.224 177.429 177.300 -0.158 0.000 1.201 122 P CA -0.045 62.911 63.100 -0.240 0.000 0.775 122 P CB 0.341 31.918 31.700 -0.204 0.000 0.854 123 D N 0.742 121.092 120.400 -0.084 0.000 2.350 123 D HA -0.165 4.475 4.640 -0.000 0.000 0.216 123 D C 0.611 176.886 176.300 -0.042 0.000 0.968 123 D CA 0.932 54.899 54.000 -0.055 0.000 0.894 123 D CB -0.641 40.140 40.800 -0.032 0.000 0.909 123 D HN 0.384 nan 8.370 nan 0.000 0.520 124 D N 0.170 120.544 120.400 -0.042 0.000 2.340 124 D HA -0.006 4.634 4.640 -0.000 0.000 0.217 124 D C -0.067 176.218 176.300 -0.025 0.000 1.081 124 D CA -0.360 53.627 54.000 -0.022 0.000 0.842 124 D CB 0.071 40.868 40.800 -0.005 0.000 0.934 124 D HN 0.072 nan 8.370 nan 0.000 0.511 125 V N 1.696 121.575 119.914 -0.057 0.000 2.304 125 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 125 V C 0.742 176.807 176.094 -0.048 0.000 1.018 125 V CA -0.072 62.194 62.300 -0.056 0.000 0.814 125 V CB 1.193 32.930 31.823 -0.144 0.000 1.021 125 V HN 0.343 nan 8.190 nan 0.000 0.440 126 T N -0.597 113.950 114.554 -0.012 0.000 3.144 126 T HA 0.304 4.653 4.350 -0.000 0.000 0.290 126 T C -0.108 174.599 174.700 0.011 0.000 0.966 126 T CA 0.078 62.176 62.100 -0.004 0.000 0.907 126 T CB -0.087 68.781 68.868 -0.000 0.000 1.152 126 T HN 0.696 nan 8.240 nan 0.000 0.532 127 D N -0.681 119.733 120.400 0.023 0.000 2.552 127 D HA 0.376 5.016 4.640 -0.000 0.000 0.239 127 D C 0.907 177.243 176.300 0.061 0.000 1.139 127 D CA -1.107 52.914 54.000 0.035 0.000 0.914 127 D CB 1.846 42.666 40.800 0.034 0.000 1.461 127 D HN -0.102 nan 8.370 nan 0.000 0.462 128 K N 0.669 121.108 120.400 0.066 0.000 2.103 128 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 128 K C 1.817 178.504 176.600 0.145 0.000 1.048 128 K CA 1.605 57.956 56.287 0.105 0.000 0.930 128 K CB -0.404 32.143 32.500 0.078 0.000 0.716 128 K HN 0.493 nan 8.250 nan 0.000 0.444 129 A N 0.862 123.746 122.820 0.106 0.000 1.902 129 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 129 A C 2.310 179.962 177.584 0.113 0.000 1.181 129 A CA 1.810 53.910 52.037 0.105 0.000 0.623 129 A CB -0.763 18.281 19.000 0.072 0.000 0.818 129 A HN 0.491 nan 8.150 nan 0.000 0.443 130 A N -1.037 121.843 122.820 0.099 0.000 2.016 130 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 130 A C 2.049 179.720 177.584 0.144 0.000 1.162 130 A CA 1.355 53.452 52.037 0.099 0.000 0.662 130 A CB -0.449 18.588 19.000 0.062 0.000 0.812 130 A HN 0.509 nan 8.150 nan 0.000 0.450 131 L N -0.564 120.763 121.223 0.173 0.000 2.017 131 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 131 L C 2.269 179.365 176.870 0.376 0.000 1.073 131 L CA 1.908 56.902 54.840 0.257 0.000 0.745 131 L CB -0.569 41.661 42.059 0.285 0.000 0.894 131 L HN 0.379 nan 8.230 nan 0.000 0.432 132 L N -0.250 121.192 121.223 0.364 0.000 2.012 132 L HA -0.232 4.107 4.340 -0.000 0.000 0.210 132 L C 2.710 179.625 176.870 0.075 0.000 1.073 132 L CA 2.142 57.107 54.840 0.208 0.000 0.748 132 L CB -0.889 41.288 42.059 0.196 0.000 0.891 132 L HN 0.336 nan 8.230 nan 0.000 0.431 133 R N -0.646 119.919 120.500 0.109 0.000 2.096 133 R HA -0.272 4.067 4.340 -0.000 0.000 0.240 133 R C 2.235 178.602 176.300 0.111 0.000 1.139 133 R CA 2.267 58.418 56.100 0.085 0.000 0.952 133 R CB -1.362 28.989 30.300 0.085 0.000 0.854 133 R HN 0.499 nan 8.270 nan 0.000 0.436 134 F N 0.072 120.032 119.950 0.016 0.000 2.043 134 F HA -0.278 4.248 4.527 -0.000 0.000 0.297 134 F C 1.601 177.441 175.800 0.067 0.000 1.121 134 F CA 1.829 59.811 58.000 -0.029 0.000 1.199 134 F CB -0.883 38.013 39.000 -0.173 0.000 0.968 134 F HN 0.080 nan 8.300 nan 0.000 0.478 135 Y N 1.143 121.346 120.300 -0.162 0.000 2.145 135 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 135 Y C 2.733 178.737 175.900 0.173 0.000 1.145 135 Y CA 1.958 60.001 58.100 -0.095 0.000 1.148 135 Y CB -1.303 37.090 38.460 -0.111 0.000 0.981 135 Y HN 0.242 nan 8.280 nan 0.000 0.507 136 Q N -0.248 119.629 119.800 0.127 0.000 2.152 136 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 136 Q C 1.514 177.613 176.000 0.164 0.000 0.985 136 Q CA 1.621 57.487 55.803 0.104 0.000 0.863 136 Q CB -0.321 28.395 28.738 -0.036 0.000 0.904 136 Q HN 0.653 nan 8.270 nan 0.000 0.422 137 N N -0.807 117.952 118.700 0.098 0.000 2.356 137 N HA -0.033 4.707 4.740 -0.000 0.000 0.178 137 N C 0.017 175.531 175.510 0.008 0.000 1.075 137 N CA -0.280 52.794 53.050 0.039 0.000 0.889 137 N CB 0.217 38.720 38.487 0.026 0.000 0.999 137 N HN 0.188 nan 8.380 nan 0.000 0.464 138 W N 4.509 125.699 121.300 -0.184 0.000 2.391 138 W HA -0.098 4.562 4.660 -0.000 0.000 0.339 138 W C 0.254 176.648 176.519 -0.209 0.000 1.252 138 W CA 0.040 57.224 57.345 -0.269 0.000 1.304 138 W CB 0.233 29.473 29.460 -0.366 0.000 1.179 138 W HN 0.009 nan 8.180 nan 0.000 0.567 139 Q N 8.394 127.662 119.800 -0.887 0.000 2.333 139 Q HA 0.514 4.854 4.340 -0.000 0.000 0.268 139 Q C -2.596 172.631 176.000 -1.288 0.000 1.007 139 Q CA -2.285 52.931 55.803 -0.978 0.000 0.810 139 Q CB 2.025 30.473 28.738 -0.484 0.000 1.264 139 Q HN 0.246 nan 8.270 nan 0.000 0.452 140 P HA 0.063 nan 4.420 nan 0.000 0.275 140 P C -0.465 176.490 177.300 -0.574 0.000 1.228 140 P CA -0.041 62.487 63.100 -0.953 0.000 0.786 140 P CB 0.933 32.154 31.700 -0.799 0.000 0.927 141 Q N 0.344 119.792 119.800 -0.587 0.000 2.376 141 Q HA 0.083 4.423 4.340 -0.000 0.000 0.206 141 Q C -0.032 175.436 176.000 -0.887 0.000 0.921 141 Q CA 0.899 56.164 55.803 -0.897 0.000 0.911 141 Q CB 0.247 28.083 28.738 -1.503 0.000 1.032 141 Q HN 0.554 nan 8.270 nan 0.000 0.510 142 W N -0.785 120.486 121.300 -0.048 0.000 3.047 142 W HA 0.666 5.326 4.660 -0.000 0.000 0.341 142 W C -0.842 175.635 176.519 -0.070 0.000 1.225 142 W CA -1.701 55.617 57.345 -0.045 0.000 1.150 142 W CB 0.468 29.917 29.460 -0.019 0.000 1.470 142 W HN -0.227 nan 8.180 nan 0.000 0.578 143 A N 2.372 125.300 122.820 0.180 0.000 2.340 143 A HA 0.642 4.962 4.320 -0.000 0.000 0.268 143 A C -2.220 175.394 177.584 0.049 0.000 1.100 143 A CA -1.089 50.982 52.037 0.057 0.000 0.803 143 A CB -0.561 18.470 19.000 0.052 0.000 1.043 143 A HN 0.146 nan 8.150 nan 0.000 0.488 144 P HA 0.133 nan 4.420 nan 0.000 0.264 144 P C 1.099 178.344 177.300 -0.092 0.000 1.179 144 P CA 1.962 64.913 63.100 -0.248 0.000 0.763 144 P CB 0.362 31.741 31.700 -0.535 0.000 0.806 145 G N 1.748 110.516 108.800 -0.053 0.000 2.189 145 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.267 145 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.267 145 G C 1.154 176.072 174.900 0.031 0.000 0.975 145 G CA 0.668 45.829 45.100 0.101 0.000 0.644 145 G HN 0.724 nan 8.290 nan 0.000 0.537 146 A N -0.649 122.171 122.820 0.001 0.000 1.872 146 A HA 0.441 4.761 4.320 -0.000 0.000 0.214 146 A C 1.289 178.767 177.584 -0.175 0.000 1.187 146 A CA 2.032 54.052 52.037 -0.027 0.000 0.614 146 A CB 0.107 19.124 19.000 0.028 0.000 0.826 146 A HN 0.493 nan 8.150 nan 0.000 0.442 147 K N -1.314 118.912 120.400 -0.290 0.000 2.508 147 K HA 0.446 4.766 4.320 -0.000 0.000 0.260 147 K C -1.005 175.390 176.600 -0.343 0.000 0.949 147 K CA -0.751 55.264 56.287 -0.455 0.000 0.834 147 K CB 2.490 34.370 32.500 -1.033 0.000 1.365 147 K HN 0.237 nan 8.250 nan 0.000 0.437 148 R N 2.116 122.443 120.500 -0.289 0.000 2.346 148 R HA 0.432 4.771 4.340 -0.000 0.000 0.311 148 R C -1.424 174.845 176.300 -0.052 0.000 0.983 148 R CA -0.650 55.369 56.100 -0.135 0.000 0.880 148 R CB 0.701 30.954 30.300 -0.078 0.000 1.100 148 R HN 0.428 nan 8.270 nan 0.000 0.453 149 L N 5.783 127.061 121.223 0.091 0.000 2.471 149 L HA 0.243 4.583 4.340 -0.000 0.000 0.263 149 L C -1.408 175.514 176.870 0.087 0.000 0.985 149 L CA -0.638 54.281 54.840 0.132 0.000 0.868 149 L CB 0.951 43.184 42.059 0.290 0.000 1.203 149 L HN 0.640 nan 8.230 nan 0.000 0.429 150 Y N 4.708 124.886 120.300 -0.203 0.000 2.865 150 Y HA 0.323 4.872 4.550 -0.000 0.000 0.338 150 Y C 0.044 175.761 175.900 -0.305 0.000 1.269 150 Y CA 1.013 58.751 58.100 -0.603 0.000 1.585 150 Y CB 0.295 38.467 38.460 -0.481 0.000 1.224 150 Y HN 0.817 nan 8.280 nan 0.000 0.554 151 A N 5.708 128.156 122.820 -0.621 0.000 2.547 151 A HA 0.326 4.646 4.320 -0.000 0.000 0.297 151 A C -0.142 177.324 177.584 -0.197 0.000 1.056 151 A CA -0.921 50.962 52.037 -0.257 0.000 0.688 151 A CB 1.051 20.057 19.000 0.009 0.000 1.282 151 A HN 0.793 nan 8.150 nan 0.000 0.400 152 N N 0.702 119.324 118.700 -0.131 0.000 2.354 152 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 152 N C 1.584 177.130 175.510 0.061 0.000 1.021 152 N CA 1.508 54.550 53.050 -0.014 0.000 0.887 152 N CB 0.117 38.652 38.487 0.081 0.000 0.974 152 N HN 0.567 nan 8.380 nan 0.000 0.437 153 S N 0.178 115.929 115.700 0.085 0.000 2.419 153 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 153 S C 2.052 176.801 174.600 0.248 0.000 1.016 153 S CA 1.001 59.319 58.200 0.197 0.000 0.974 153 S CB -0.075 63.242 63.200 0.195 0.000 0.786 153 S HN 0.381 nan 8.310 nan 0.000 0.492 154 S N 0.675 116.478 115.700 0.171 0.000 2.327 154 S HA 0.181 4.650 4.470 -0.000 0.000 0.213 154 S C 1.760 176.432 174.600 0.120 0.000 1.032 154 S CA 0.433 58.722 58.200 0.149 0.000 0.960 154 S CB -0.455 62.846 63.200 0.168 0.000 0.900 154 S HN 0.515 nan 8.310 nan 0.000 0.469 155 I N 1.266 121.910 120.570 0.122 0.000 2.394 155 I HA -0.050 4.119 4.170 -0.000 0.000 0.251 155 I C 2.230 178.405 176.117 0.097 0.000 1.136 155 I CA 1.144 62.509 61.300 0.109 0.000 1.425 155 I CB -0.671 37.395 38.000 0.110 0.000 1.079 155 I HN 0.518 nan 8.210 nan 0.000 0.425 156 G N 0.837 109.658 108.800 0.035 0.000 2.418 156 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 156 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 156 G C 1.540 176.388 174.900 -0.086 0.000 1.158 156 G CA 0.631 45.687 45.100 -0.073 0.000 0.771 156 G HN 0.344 nan 8.290 nan 0.000 0.545 157 L N -0.349 120.878 121.223 0.007 0.000 2.072 157 L HA 0.178 4.518 4.340 -0.000 0.000 0.205 157 L C 2.403 179.238 176.870 -0.058 0.000 1.079 157 L CA 1.236 56.044 54.840 -0.054 0.000 0.752 157 L CB -0.724 41.287 42.059 -0.080 0.000 0.906 157 L HN 0.218 nan 8.230 nan 0.000 0.436 158 F N 0.644 120.528 119.950 -0.110 0.000 2.027 158 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 158 F C 2.246 177.974 175.800 -0.119 0.000 1.129 158 F CA 2.015 59.944 58.000 -0.117 0.000 1.195 158 F CB -1.243 37.693 39.000 -0.107 0.000 0.960 158 F HN 0.122 nan 8.300 nan 0.000 0.485 159 G N -0.405 108.188 108.800 -0.345 0.000 2.469 159 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.219 159 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.219 159 G C 1.828 176.544 174.900 -0.306 0.000 1.150 159 G CA 1.384 46.257 45.100 -0.378 0.000 0.763 159 G HN 0.750 nan 8.290 nan 0.000 0.561 160 A N 0.396 123.022 122.820 -0.323 0.000 1.902 160 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 160 A C 2.463 179.888 177.584 -0.266 0.000 1.181 160 A CA 1.449 53.317 52.037 -0.282 0.000 0.623 160 A CB -0.355 18.461 19.000 -0.307 0.000 0.818 160 A HN 0.373 nan 8.150 nan 0.000 0.443 161 L N -1.157 119.888 121.223 -0.297 0.000 2.095 161 L HA -0.059 4.281 4.340 -0.000 0.000 0.204 161 L C 3.050 179.705 176.870 -0.357 0.000 1.080 161 L CA 0.830 55.504 54.840 -0.277 0.000 0.759 161 L CB -0.668 41.252 42.059 -0.232 0.000 0.914 161 L HN 0.402 nan 8.230 nan 0.000 0.439 162 A N -0.330 122.189 122.820 -0.502 0.000 2.032 162 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 162 A C 2.171 179.595 177.584 -0.265 0.000 1.165 162 A CA 1.658 53.390 52.037 -0.508 0.000 0.645 162 A CB -0.657 17.853 19.000 -0.816 0.000 0.807 162 A HN 0.243 nan 8.150 nan 0.000 0.453 163 V N -0.108 119.689 119.914 -0.194 0.000 3.649 163 V HA -0.050 4.069 4.120 -0.000 0.000 0.275 163 V C 1.886 177.942 176.094 -0.063 0.000 1.281 163 V CA 0.810 63.045 62.300 -0.109 0.000 1.143 163 V CB -0.306 31.477 31.823 -0.067 0.000 0.892 163 V HN 0.435 nan 8.190 nan 0.000 0.441 164 K N 0.827 121.207 120.400 -0.034 0.000 1.985 164 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 164 K C 0.028 176.649 176.600 0.035 0.000 1.047 164 K CA 1.494 57.791 56.287 0.018 0.000 0.932 164 K CB -1.982 30.560 32.500 0.070 0.000 0.716 164 K HN 0.376 nan 8.250 nan 0.000 0.439 165 P HA -0.227 nan 4.420 nan 0.000 0.217 165 P C 1.646 178.956 177.300 0.017 0.000 1.162 165 P CA 2.392 65.529 63.100 0.061 0.000 0.901 165 P CB -0.248 31.512 31.700 0.099 0.000 0.793 166 S N -1.670 114.028 115.700 -0.003 0.000 2.440 166 S HA -0.091 4.379 4.470 -0.000 0.000 0.240 166 S C 1.882 176.467 174.600 -0.025 0.000 1.014 166 S CA 1.433 59.620 58.200 -0.021 0.000 0.980 166 S CB -1.729 61.445 63.200 -0.043 0.000 0.775 166 S HN 0.406 nan 8.310 nan 0.000 0.499 167 G N 0.862 109.647 108.800 -0.024 0.000 2.184 167 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 167 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 167 G C 0.043 174.921 174.900 -0.036 0.000 0.975 167 G CA 0.684 45.768 45.100 -0.027 0.000 0.642 167 G HN 0.637 nan 8.290 nan 0.000 0.536 168 M N 0.394 119.966 119.600 -0.047 0.000 2.528 168 M HA 0.634 5.114 4.480 -0.000 0.000 0.318 168 M C 0.721 176.987 176.300 -0.058 0.000 1.195 168 M CA -0.662 54.604 55.300 -0.057 0.000 1.000 168 M CB 1.673 34.228 32.600 -0.075 0.000 1.615 168 M HN 0.056 nan 8.290 nan 0.000 0.469 169 S N -0.235 115.433 115.700 -0.054 0.000 2.585 169 S HA 0.080 4.550 4.470 -0.000 0.000 0.273 169 S C 0.710 175.291 174.600 -0.032 0.000 1.339 169 S CA -0.260 57.918 58.200 -0.036 0.000 1.028 169 S CB 0.328 63.508 63.200 -0.034 0.000 0.906 169 S HN 0.676 nan 8.310 nan 0.000 0.528 170 Y N 2.601 122.824 120.300 -0.128 0.000 2.069 170 Y HA -0.258 4.292 4.550 -0.000 0.000 0.278 170 Y C 2.341 178.162 175.900 -0.133 0.000 1.175 170 Y CA 2.691 60.706 58.100 -0.141 0.000 1.134 170 Y CB -0.236 38.130 38.460 -0.156 0.000 0.965 170 Y HN 0.919 nan 8.280 nan 0.000 0.498 171 E N -0.228 119.965 120.200 -0.013 0.000 2.077 171 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 171 E C 2.211 178.712 176.600 -0.164 0.000 0.989 171 E CA 1.416 57.761 56.400 -0.092 0.000 0.800 171 E CB -0.200 29.486 29.700 -0.023 0.000 0.746 171 E HN 0.663 nan 8.360 nan 0.000 0.452 172 E N -0.328 119.791 120.200 -0.134 0.000 2.031 172 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 172 E C 1.958 178.439 176.600 -0.199 0.000 0.994 172 E CA 0.996 57.310 56.400 -0.143 0.000 0.800 172 E CB -0.121 29.519 29.700 -0.100 0.000 0.752 172 E HN 0.330 nan 8.360 nan 0.000 0.447 173 A N 0.714 123.410 122.820 -0.206 0.000 1.902 173 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 173 A C 2.115 179.526 177.584 -0.289 0.000 1.181 173 A CA 1.861 53.761 52.037 -0.227 0.000 0.623 173 A CB -0.556 18.312 19.000 -0.219 0.000 0.818 173 A HN 0.365 nan 8.150 nan 0.000 0.443 174 M N -0.263 119.098 119.600 -0.398 0.000 2.117 174 M HA -0.090 4.389 4.480 -0.000 0.000 0.262 174 M C 2.245 178.361 176.300 -0.307 0.000 1.065 174 M CA 2.270 57.335 55.300 -0.391 0.000 1.114 174 M CB -0.526 31.770 32.600 -0.507 0.000 1.361 174 M HN 0.362 nan 8.290 nan 0.000 0.408 175 S N -0.205 115.291 115.700 -0.341 0.000 2.343 175 S HA -0.165 4.305 4.470 -0.000 0.000 0.219 175 S C 1.973 176.206 174.600 -0.610 0.000 1.033 175 S CA 1.797 59.713 58.200 -0.473 0.000 1.014 175 S CB -0.195 62.742 63.200 -0.437 0.000 0.915 175 S HN 0.597 nan 8.310 nan 0.000 0.435 176 K N 0.302 120.438 120.400 -0.440 0.000 2.026 176 K HA 0.013 4.333 4.320 -0.000 0.000 0.208 176 K C 2.550 179.045 176.600 -0.174 0.000 1.048 176 K CA 1.312 57.417 56.287 -0.302 0.000 0.929 176 K CB -0.124 32.266 32.500 -0.183 0.000 0.713 176 K HN 0.319 nan 8.250 nan 0.000 0.439 177 R N -0.102 120.306 120.500 -0.153 0.000 2.093 177 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 177 R C 2.036 178.313 176.300 -0.039 0.000 1.101 177 R CA 1.003 57.053 56.100 -0.084 0.000 0.979 177 R CB 0.100 30.350 30.300 -0.084 0.000 0.877 177 R HN 0.048 nan 8.270 nan 0.000 0.441 178 V N 0.436 120.321 119.914 -0.048 0.000 2.840 178 V HA -0.006 4.114 4.120 -0.000 0.000 0.234 178 V C 2.176 178.304 176.094 0.058 0.000 1.159 178 V CA 0.355 62.682 62.300 0.044 0.000 1.194 178 V CB -0.328 31.542 31.823 0.079 0.000 0.971 178 V HN 0.084 nan 8.190 nan 0.000 0.494 179 L N 0.084 121.291 121.223 -0.027 0.000 1.994 179 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 179 L C 2.606 179.539 176.870 0.104 0.000 1.071 179 L CA 2.283 57.116 54.840 -0.012 0.000 0.745 179 L CB -1.028 40.942 42.059 -0.149 0.000 0.892 179 L HN 0.485 nan 8.230 nan 0.000 0.431 180 H N -0.071 118.947 119.070 -0.086 0.000 2.267 180 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 180 H C -0.313 174.992 175.328 -0.038 0.000 1.080 180 H CA 1.161 57.166 56.048 -0.072 0.000 1.278 180 H CB -1.305 28.415 29.762 -0.071 0.000 1.365 180 H HN 0.309 nan 8.280 nan 0.000 0.489 181 P HA -0.185 nan 4.420 nan 0.000 0.216 181 P C 1.345 178.679 177.300 0.056 0.000 1.157 181 P CA 1.416 64.554 63.100 0.063 0.000 0.880 181 P CB -0.128 31.602 31.700 0.050 0.000 0.791 182 L N -1.814 119.457 121.223 0.080 0.000 2.554 182 L HA 0.082 4.422 4.340 -0.000 0.000 0.226 182 L C 0.518 177.427 176.870 0.065 0.000 1.137 182 L CA 0.315 55.208 54.840 0.088 0.000 0.863 182 L CB -0.754 41.403 42.059 0.163 0.000 0.985 182 L HN 0.004 nan 8.230 nan 0.000 0.451 183 K N 0.935 121.358 120.400 0.037 0.000 3.239 183 K HA -0.147 4.172 4.320 -0.000 0.000 0.270 183 K C -0.506 176.094 176.600 -0.000 0.000 1.049 183 K CA 0.246 56.530 56.287 -0.005 0.000 0.769 183 K CB -1.684 30.812 32.500 -0.006 0.000 1.305 183 K HN 0.264 nan 8.250 nan 0.000 0.469 184 L N 0.383 121.599 121.223 -0.011 0.000 2.397 184 L HA 0.269 4.609 4.340 -0.000 0.000 0.263 184 L C 1.543 178.286 176.870 -0.211 0.000 1.136 184 L CA -0.173 54.639 54.840 -0.047 0.000 1.019 184 L CB 0.758 42.816 42.059 -0.002 0.000 1.352 184 L HN 0.385 nan 8.230 nan 0.000 0.420 185 A N 0.961 123.649 122.820 -0.219 0.000 2.167 185 A HA -0.023 4.296 4.320 -0.000 0.000 0.214 185 A C 1.212 178.361 177.584 -0.726 0.000 1.151 185 A CA 0.724 52.494 52.037 -0.445 0.000 0.735 185 A CB -0.230 18.549 19.000 -0.368 0.000 0.802 185 A HN 0.699 nan 8.150 nan 0.000 0.467 186 H N -0.231 118.681 119.070 -0.263 0.000 2.505 186 H HA 0.220 4.776 4.556 -0.000 0.000 0.260 186 H C -0.870 174.259 175.328 -0.332 0.000 1.168 186 H CA 0.128 56.088 56.048 -0.148 0.000 0.945 186 H CB 0.257 30.039 29.762 0.033 0.000 1.800 186 H HN 0.200 nan 8.280 nan 0.000 0.586 187 T N 1.001 115.140 114.554 -0.691 0.000 2.840 187 T HA 0.310 4.659 4.350 -0.000 0.000 0.287 187 T C -0.735 173.407 174.700 -0.931 0.000 0.991 187 T CA -0.576 61.169 62.100 -0.593 0.000 0.964 187 T CB 1.233 69.829 68.868 -0.453 0.000 0.954 187 T HN 0.224 nan 8.240 nan 0.000 0.438 188 W N 1.652 122.790 121.300 -0.270 0.000 2.962 188 W HA 0.646 5.306 4.660 -0.000 0.000 0.341 188 W C 0.571 176.916 176.519 -0.291 0.000 1.155 188 W CA -0.907 56.283 57.345 -0.259 0.000 1.165 188 W CB 0.986 30.300 29.460 -0.244 0.000 1.435 188 W HN 0.457 nan 8.180 nan 0.000 0.546 189 I N 0.333 120.904 120.570 0.002 0.000 2.685 189 I HA 0.049 4.218 4.170 -0.000 0.000 0.251 189 I C 0.478 176.576 176.117 -0.032 0.000 1.102 189 I CA 0.826 62.091 61.300 -0.059 0.000 1.442 189 I CB 0.113 38.079 38.000 -0.057 0.000 1.194 189 I HN 0.235 nan 8.210 nan 0.000 0.448 190 T N 2.815 117.378 114.554 0.015 0.000 2.788 190 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 190 T C -0.500 174.147 174.700 -0.088 0.000 1.009 190 T CA -0.182 61.897 62.100 -0.035 0.000 0.949 190 T CB 1.724 70.577 68.868 -0.024 0.000 0.946 190 T HN -0.018 nan 8.240 nan 0.000 0.453 191 V N 6.375 126.157 119.914 -0.220 0.000 2.427 191 V HA 0.415 4.535 4.120 -0.000 0.000 0.268 191 V C -2.391 173.419 176.094 -0.473 0.000 1.046 191 V CA -1.940 60.062 62.300 -0.498 0.000 0.970 191 V CB 0.362 31.831 31.823 -0.590 0.000 1.001 191 V HN 0.545 nan 8.190 nan 0.000 0.476 192 P HA 0.051 nan 4.420 nan 0.000 0.269 192 P C 0.653 177.744 177.300 -0.349 0.000 1.215 192 P CA 0.027 62.837 63.100 -0.483 0.000 0.780 192 P CB 0.513 31.844 31.700 -0.615 0.000 0.898 193 Q N 2.324 121.995 119.800 -0.215 0.000 2.152 193 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 193 Q C 1.586 177.502 176.000 -0.140 0.000 0.985 193 Q CA 2.807 58.525 55.803 -0.142 0.000 0.863 193 Q CB -0.576 28.106 28.738 -0.093 0.000 0.904 193 Q HN 0.554 nan 8.270 nan 0.000 0.422 194 S N -0.588 115.014 115.700 -0.163 0.000 2.474 194 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 194 S C 1.181 175.696 174.600 -0.142 0.000 0.997 194 S CA 0.888 59.011 58.200 -0.129 0.000 0.949 194 S CB 0.088 63.219 63.200 -0.114 0.000 0.766 194 S HN 0.313 nan 8.310 nan 0.000 0.517 195 E N 0.409 120.468 120.200 -0.236 0.000 2.489 195 E HA 0.214 4.564 4.350 -0.000 0.000 0.204 195 E C 1.724 178.231 176.600 -0.154 0.000 1.006 195 E CA 0.097 56.364 56.400 -0.222 0.000 0.936 195 E CB -0.360 29.051 29.700 -0.481 0.000 1.002 195 E HN 0.490 nan 8.360 nan 0.000 0.488 196 Q N 1.763 121.482 119.800 -0.135 0.000 2.152 196 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 196 Q C 1.629 177.624 176.000 -0.008 0.000 0.985 196 Q CA 2.034 57.804 55.803 -0.055 0.000 0.863 196 Q CB -0.113 28.588 28.738 -0.062 0.000 0.904 196 Q HN 0.202 nan 8.270 nan 0.000 0.422 197 K N -0.226 120.168 120.400 -0.009 0.000 2.152 197 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 197 K C 0.998 177.617 176.600 0.032 0.000 1.048 197 K CA 1.780 58.077 56.287 0.017 0.000 0.933 197 K CB -0.233 32.277 32.500 0.017 0.000 0.721 197 K HN 0.128 nan 8.250 nan 0.000 0.447 198 D N -0.618 119.801 120.400 0.032 0.000 2.340 198 D HA -0.058 4.581 4.640 -0.000 0.000 0.220 198 D C -0.484 175.858 176.300 0.069 0.000 1.039 198 D CA 0.183 54.211 54.000 0.045 0.000 0.866 198 D CB -0.060 40.773 40.800 0.054 0.000 0.913 198 D HN 0.151 nan 8.370 nan 0.000 0.523 199 Y N 2.761 122.989 120.300 -0.121 0.000 2.640 199 Y HA 0.369 4.918 4.550 -0.000 0.000 0.355 199 Y C 0.316 176.127 175.900 -0.147 0.000 1.088 199 Y CA -1.754 56.241 58.100 -0.175 0.000 1.443 199 Y CB -0.781 37.510 38.460 -0.282 0.000 1.224 199 Y HN -0.135 nan 8.280 nan 0.000 0.516 200 A N 5.643 128.582 122.820 0.198 0.000 2.547 200 A HA 0.026 4.345 4.320 -0.000 0.000 0.233 200 A C -0.431 177.235 177.584 0.137 0.000 1.067 200 A CA -0.044 52.063 52.037 0.117 0.000 0.763 200 A CB 0.149 19.127 19.000 -0.036 0.000 1.007 200 A HN 0.873 nan 8.150 nan 0.000 0.506 201 W N -0.001 121.341 121.300 0.069 0.000 2.438 201 W HA 0.510 5.170 4.660 -0.000 0.000 0.324 201 W C 0.737 177.019 176.519 -0.395 0.000 1.119 201 W CA 0.270 57.474 57.345 -0.233 0.000 1.221 201 W CB 1.579 30.783 29.460 -0.428 0.000 1.253 201 W HN 0.935 nan 8.180 nan 0.000 0.555 202 G N 1.602 110.271 108.800 -0.217 0.000 2.389 202 G HA2 0.539 4.499 3.960 -0.000 0.000 0.317 202 G HA3 0.539 4.499 3.960 -0.000 0.000 0.317 202 G C -2.183 172.398 174.900 -0.530 0.000 1.137 202 G CA -0.464 44.248 45.100 -0.646 0.000 0.870 202 G HN 0.395 nan 8.290 nan 0.000 0.496 203 Y N 0.202 120.420 120.300 -0.136 0.000 2.350 203 Y HA 0.569 5.119 4.550 -0.000 0.000 0.338 203 Y C 0.522 176.408 175.900 -0.022 0.000 0.961 203 Y CA -0.776 57.287 58.100 -0.060 0.000 1.100 203 Y CB 2.249 40.676 38.460 -0.056 0.000 1.179 203 Y HN 0.474 nan 8.280 nan 0.000 0.454 204 R N 2.898 123.433 120.500 0.058 0.000 2.483 204 R HA 0.261 4.601 4.340 -0.000 0.000 0.303 204 R C -0.741 175.590 176.300 0.051 0.000 0.987 204 R CA -0.373 55.763 56.100 0.060 0.000 0.881 204 R CB 0.789 31.111 30.300 0.038 0.000 1.177 204 R HN 0.790 nan 8.270 nan 0.000 0.451 205 E N 2.567 122.801 120.200 0.057 0.000 2.360 205 E HA -0.230 4.119 4.350 -0.000 0.000 0.238 205 E C 0.417 177.043 176.600 0.044 0.000 1.186 205 E CA 1.276 57.700 56.400 0.040 0.000 0.719 205 E CB -1.447 28.267 29.700 0.022 0.000 1.236 205 E HN 1.182 nan 8.360 nan 0.000 0.386 206 G N -0.267 108.581 108.800 0.080 0.000 2.155 206 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 206 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 206 G C 0.112 175.092 174.900 0.133 0.000 0.983 206 G CA 1.010 46.168 45.100 0.097 0.000 0.676 206 G HN 0.320 nan 8.290 nan 0.000 0.528 207 K N 0.810 121.266 120.400 0.093 0.000 2.316 207 K HA 0.543 4.863 4.320 -0.000 0.000 0.251 207 K C -2.762 173.700 176.600 -0.230 0.000 0.934 207 K CA -2.187 54.077 56.287 -0.037 0.000 0.802 207 K CB 3.080 35.539 32.500 -0.068 0.000 1.171 207 K HN -0.000 nan 8.250 nan 0.000 0.426 208 P HA 0.100 nan 4.420 nan 0.000 0.281 208 P C -0.759 176.258 177.300 -0.472 0.000 1.252 208 P CA -0.420 62.157 63.100 -0.872 0.000 0.778 208 P CB 1.022 32.005 31.700 -1.195 0.000 0.895 209 V N 0.839 120.642 119.914 -0.186 0.000 3.114 209 V HA 0.661 4.781 4.120 -0.000 0.000 0.308 209 V C -0.990 175.213 176.094 0.182 0.000 1.168 209 V CA -0.774 61.547 62.300 0.034 0.000 1.015 209 V CB 2.360 34.196 31.823 0.022 0.000 1.050 209 V HN 0.514 nan 8.190 nan 0.000 0.433 210 H N 0.165 119.383 119.070 0.248 0.000 2.690 210 H HA 0.642 5.198 4.556 -0.000 0.000 0.368 210 H C -0.308 175.106 175.328 0.142 0.000 1.150 210 H CA -0.611 55.518 56.048 0.135 0.000 1.174 210 H CB 2.225 31.933 29.762 -0.089 0.000 1.684 210 H HN 0.826 nan 8.280 nan 0.000 0.538 211 V N 1.991 122.082 119.914 0.295 0.000 2.928 211 V HA 0.012 4.132 4.120 -0.000 0.000 0.307 211 V C 0.555 176.744 176.094 0.158 0.000 1.105 211 V CA 0.548 62.958 62.300 0.182 0.000 1.223 211 V CB 1.068 32.987 31.823 0.160 0.000 0.930 211 V HN 0.803 nan 8.190 nan 0.000 0.499 212 S N 6.096 121.868 115.700 0.120 0.000 2.617 212 S HA 0.655 5.125 4.470 -0.000 0.000 0.283 212 S C -2.383 172.291 174.600 0.123 0.000 1.189 212 S CA -1.292 56.971 58.200 0.105 0.000 1.036 212 S CB 1.325 64.570 63.200 0.074 0.000 1.014 212 S HN 0.830 nan 8.310 nan 0.000 0.522 213 P HA 0.485 nan 4.420 nan 0.000 0.269 213 P C -0.341 177.013 177.300 0.090 0.000 1.215 213 P CA -0.161 62.986 63.100 0.079 0.000 0.780 213 P CB 0.542 32.270 31.700 0.047 0.000 0.898 214 G N 0.274 109.124 108.800 0.083 0.000 2.623 214 G HA2 0.337 4.297 3.960 -0.000 0.000 0.290 214 G HA3 0.337 4.297 3.960 -0.000 0.000 0.290 214 G C -1.660 173.250 174.900 0.015 0.000 1.437 214 G CA -0.556 44.594 45.100 0.084 0.000 0.798 214 G HN 0.297 nan 8.290 nan 0.000 0.488 215 Q N 0.236 120.039 119.800 0.006 0.000 2.332 215 Q HA 0.338 4.678 4.340 -0.000 0.000 0.263 215 Q C 1.068 177.029 176.000 -0.064 0.000 0.979 215 Q CA -0.044 55.744 55.803 -0.024 0.000 0.885 215 Q CB 1.043 29.776 28.738 -0.008 0.000 1.218 215 Q HN 0.718 nan 8.270 nan 0.000 0.405 216 L N 1.503 122.652 121.223 -0.124 0.000 4.232 216 L HA -0.342 3.998 4.340 -0.000 0.000 0.415 216 L C 1.085 177.714 176.870 -0.401 0.000 1.168 216 L CA 0.684 55.394 54.840 -0.217 0.000 0.966 216 L CB -1.358 40.636 42.059 -0.108 0.000 2.052 216 L HN 0.658 nan 8.230 nan 0.000 0.887 217 D N 0.539 120.692 120.400 -0.412 0.000 2.084 217 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 217 D C 1.968 177.865 176.300 -0.672 0.000 0.985 217 D CA 1.504 55.054 54.000 -0.750 0.000 0.826 217 D CB -0.214 40.417 40.800 -0.280 0.000 0.978 217 D HN 0.386 nan 8.370 nan 0.000 0.456 218 A N 0.903 123.485 122.820 -0.397 0.000 1.927 218 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 218 A C 2.151 179.503 177.584 -0.387 0.000 1.185 218 A CA 2.410 54.271 52.037 -0.293 0.000 0.639 218 A CB -0.782 18.108 19.000 -0.184 0.000 0.820 218 A HN 0.296 nan 8.150 nan 0.000 0.451 219 E N -0.491 119.301 120.200 -0.681 0.000 2.107 219 E HA 0.150 4.500 4.350 -0.000 0.000 0.191 219 E C 2.067 178.459 176.600 -0.347 0.000 0.982 219 E CA 1.309 57.234 56.400 -0.792 0.000 0.809 219 E CB -0.306 28.907 29.700 -0.810 0.000 0.756 219 E HN 0.597 nan 8.360 nan 0.000 0.459 220 A N -0.312 122.284 122.820 -0.374 0.000 1.973 220 A HA 0.098 4.418 4.320 -0.000 0.000 0.210 220 A C 0.880 178.402 177.584 -0.103 0.000 1.200 220 A CA 0.747 52.659 52.037 -0.207 0.000 0.707 220 A CB -0.058 18.840 19.000 -0.171 0.000 0.862 220 A HN 0.437 nan 8.150 nan 0.000 0.461 221 Y N -4.360 115.924 120.300 -0.026 0.000 3.099 221 Y HA 0.490 5.039 4.550 -0.000 0.000 0.238 221 Y C 0.725 176.606 175.900 -0.032 0.000 1.028 221 Y CA -0.171 57.926 58.100 -0.005 0.000 1.187 221 Y CB -0.247 38.226 38.460 0.021 0.000 1.255 221 Y HN 0.011 nan 8.280 nan 0.000 0.666 222 G N 0.771 109.525 108.800 -0.077 0.000 3.233 222 G HA2 0.347 4.306 3.960 -0.000 0.000 0.234 222 G HA3 0.347 4.306 3.960 -0.000 0.000 0.234 222 G C -0.209 174.627 174.900 -0.108 0.000 1.137 222 G CA 0.001 45.070 45.100 -0.053 0.000 0.763 222 G HN 0.139 nan 8.290 nan 0.000 0.549 223 V N 0.632 120.448 119.914 -0.162 0.000 2.583 223 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 223 V C -0.236 175.708 176.094 -0.251 0.000 1.051 223 V CA -0.269 61.853 62.300 -0.298 0.000 1.010 223 V CB 1.400 32.878 31.823 -0.575 0.000 0.988 223 V HN 0.147 nan 8.190 nan 0.000 0.478 224 K N 2.646 122.889 120.400 -0.261 0.000 2.345 224 K HA 0.746 5.066 4.320 -0.000 0.000 0.255 224 K C -0.541 175.969 176.600 -0.151 0.000 0.934 224 K CA -0.117 56.031 56.287 -0.232 0.000 0.801 224 K CB 1.992 34.270 32.500 -0.370 0.000 1.137 224 K HN 0.718 nan 8.250 nan 0.000 0.424 225 S N 0.700 116.374 115.700 -0.042 0.000 2.638 225 S HA 0.669 5.139 4.470 -0.000 0.000 0.274 225 S C -1.150 173.557 174.600 0.179 0.000 1.157 225 S CA -0.705 57.510 58.200 0.025 0.000 0.826 225 S CB 0.957 64.133 63.200 -0.040 0.000 1.139 225 S HN 0.603 nan 8.310 nan 0.000 0.474 226 S N 0.772 116.583 115.700 0.185 0.000 2.722 226 S HA 0.517 4.987 4.470 -0.000 0.000 0.292 226 S C 1.140 175.858 174.600 0.197 0.000 1.135 226 S CA -0.141 58.198 58.200 0.233 0.000 1.003 226 S CB 0.979 64.242 63.200 0.106 0.000 1.067 226 S HN 0.961 nan 8.310 nan 0.000 0.546 227 V N 1.411 121.441 119.914 0.193 0.000 2.469 227 V HA -0.115 4.005 4.120 -0.000 0.000 0.251 227 V C 1.985 178.171 176.094 0.155 0.000 1.064 227 V CA 1.872 64.278 62.300 0.177 0.000 1.066 227 V CB -0.941 31.000 31.823 0.196 0.000 0.667 227 V HN 0.847 nan 8.190 nan 0.000 0.461 228 I N -0.163 120.411 120.570 0.006 0.000 2.163 228 I HA -0.182 3.988 4.170 -0.000 0.000 0.240 228 I C 2.266 178.439 176.117 0.093 0.000 1.081 228 I CA 1.940 63.201 61.300 -0.065 0.000 1.353 228 I CB -0.542 37.311 38.000 -0.245 0.000 1.054 228 I HN 0.321 nan 8.210 nan 0.000 0.407 229 D N 0.557 121.022 120.400 0.108 0.000 2.117 229 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 229 D C 2.245 178.687 176.300 0.236 0.000 0.987 229 D CA 1.207 55.301 54.000 0.157 0.000 0.829 229 D CB -0.180 40.691 40.800 0.119 0.000 0.961 229 D HN 0.141 nan 8.370 nan 0.000 0.460 230 M N 0.417 120.164 119.600 0.245 0.000 2.108 230 M HA -0.101 4.378 4.480 -0.000 0.000 0.261 230 M C 2.112 178.607 176.300 0.325 0.000 1.066 230 M CA 1.240 56.735 55.300 0.325 0.000 1.107 230 M CB -1.363 31.409 32.600 0.286 0.000 1.356 230 M HN -0.015 nan 8.290 nan 0.000 0.406 231 T N 0.242 114.960 114.554 0.273 0.000 2.788 231 T HA -0.112 4.237 4.350 -0.000 0.000 0.268 231 T C 1.955 176.753 174.700 0.163 0.000 1.044 231 T CA 1.221 63.458 62.100 0.228 0.000 1.139 231 T CB -0.159 68.902 68.868 0.322 0.000 0.867 231 T HN 0.393 nan 8.240 nan 0.000 0.454 232 R N 0.014 120.625 120.500 0.186 0.000 2.092 232 R HA 0.005 4.344 4.340 -0.000 0.000 0.231 232 R C 2.341 178.738 176.300 0.163 0.000 1.119 232 R CA 1.103 57.286 56.100 0.138 0.000 0.970 232 R CB -0.300 30.085 30.300 0.143 0.000 0.864 232 R HN 0.523 nan 8.270 nan 0.000 0.440 233 W N 1.127 122.445 121.300 0.031 0.000 2.333 233 W HA -0.217 4.443 4.660 -0.000 0.000 0.316 233 W C 1.513 177.989 176.519 -0.071 0.000 1.215 233 W CA 1.422 58.767 57.345 0.001 0.000 1.278 233 W CB -0.119 29.375 29.460 0.057 0.000 1.154 233 W HN -0.100 nan 8.180 nan 0.000 0.486 234 V N 1.361 121.252 119.914 -0.040 0.000 2.490 234 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 234 V C 2.428 178.187 176.094 -0.559 0.000 1.061 234 V CA 2.109 64.179 62.300 -0.383 0.000 1.064 234 V CB -0.925 30.814 31.823 -0.141 0.000 0.670 234 V HN 0.290 nan 8.190 nan 0.000 0.461 235 Q N -0.263 119.355 119.800 -0.302 0.000 2.046 235 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 235 Q C 2.499 178.299 176.000 -0.334 0.000 0.975 235 Q CA 1.712 57.345 55.803 -0.285 0.000 0.836 235 Q CB -0.380 28.273 28.738 -0.142 0.000 0.896 235 Q HN 0.665 nan 8.270 nan 0.000 0.428 236 A N 1.662 124.304 122.820 -0.297 0.000 1.902 236 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 236 A C 1.820 179.148 177.584 -0.427 0.000 1.181 236 A CA 1.493 53.355 52.037 -0.292 0.000 0.623 236 A CB -0.556 18.316 19.000 -0.214 0.000 0.818 236 A HN 0.329 nan 8.150 nan 0.000 0.443 237 N N -0.918 117.388 118.700 -0.657 0.000 2.142 237 N HA -0.140 4.599 4.740 -0.000 0.000 0.186 237 N C 1.839 176.897 175.510 -0.754 0.000 1.023 237 N CA 1.722 54.322 53.050 -0.749 0.000 0.852 237 N CB -0.260 37.632 38.487 -0.992 0.000 0.998 237 N HN 0.647 nan 8.380 nan 0.000 0.424 238 M N 0.549 119.552 119.600 -0.995 0.000 2.175 238 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 238 M C -0.533 175.546 176.300 -0.367 0.000 1.063 238 M CA 1.570 56.417 55.300 -0.754 0.000 1.119 238 M CB 0.305 32.442 32.600 -0.771 0.000 1.377 238 M HN -0.150 nan 8.290 nan 0.000 0.415 239 D N -0.604 119.596 120.400 -0.333 0.000 2.328 239 D HA 0.378 5.018 4.640 -0.000 0.000 0.243 239 D C 0.151 176.336 176.300 -0.191 0.000 1.324 239 D CA 0.158 54.028 54.000 -0.217 0.000 0.966 239 D CB 1.156 41.845 40.800 -0.185 0.000 1.324 239 D HN 0.242 nan 8.370 nan 0.000 0.549 240 A N 1.813 124.530 122.820 -0.171 0.000 2.216 240 A HA -0.046 4.273 4.320 -0.000 0.000 0.214 240 A C 2.120 179.646 177.584 -0.098 0.000 1.160 240 A CA 0.851 52.807 52.037 -0.136 0.000 0.725 240 A CB -0.181 18.749 19.000 -0.116 0.000 0.784 240 A HN 0.476 nan 8.150 nan 0.000 0.472 241 S N 0.292 115.936 115.700 -0.094 0.000 2.365 241 S HA -0.298 4.172 4.470 -0.000 0.000 0.225 241 S C 2.206 176.766 174.600 -0.065 0.000 1.039 241 S CA 1.968 60.123 58.200 -0.074 0.000 1.033 241 S CB -0.356 62.799 63.200 -0.075 0.000 0.887 241 S HN 0.950 nan 8.310 nan 0.000 0.447 242 Q N 1.201 120.956 119.800 -0.075 0.000 2.124 242 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 242 Q C 1.013 176.983 176.000 -0.051 0.000 0.977 242 Q CA 1.173 56.938 55.803 -0.064 0.000 0.850 242 Q CB -0.637 28.057 28.738 -0.074 0.000 0.901 242 Q HN 0.439 nan 8.270 nan 0.000 0.429 243 V N 0.898 120.780 119.914 -0.054 0.000 2.572 243 V HA -0.019 4.100 4.120 -0.000 0.000 0.291 243 V C 0.571 176.648 176.094 -0.027 0.000 1.039 243 V CA 0.012 62.290 62.300 -0.036 0.000 1.055 243 V CB 1.431 33.233 31.823 -0.034 0.000 0.969 243 V HN 0.462 nan 8.190 nan 0.000 0.482 244 Q N 2.672 122.461 119.800 -0.018 0.000 2.297 244 Q HA 0.193 4.533 4.340 -0.000 0.000 0.203 244 Q C 0.498 176.493 176.000 -0.009 0.000 0.931 244 Q CA 0.102 55.896 55.803 -0.014 0.000 0.885 244 Q CB 0.283 29.013 28.738 -0.013 0.000 0.991 244 Q HN 0.814 nan 8.270 nan 0.000 0.498 245 E N 2.099 122.297 120.200 -0.003 0.000 2.292 245 E HA -0.067 4.283 4.350 -0.000 0.000 0.265 245 E C 0.491 177.091 176.600 -0.000 0.000 1.093 245 E CA 0.095 56.496 56.400 0.002 0.000 0.922 245 E CB 0.973 30.678 29.700 0.009 0.000 1.001 245 E HN 0.007 nan 8.360 nan 0.000 0.444 246 K N 2.492 122.891 120.400 -0.001 0.000 2.063 246 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 246 K C 1.912 178.514 176.600 0.003 0.000 1.048 246 K CA 2.310 58.596 56.287 -0.002 0.000 0.928 246 K CB -0.390 32.109 32.500 -0.002 0.000 0.713 246 K HN 0.561 nan 8.250 nan 0.000 0.442 247 T N -1.313 113.246 114.554 0.008 0.000 2.985 247 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 247 T C 1.762 176.475 174.700 0.022 0.000 1.076 247 T CA 0.882 62.991 62.100 0.015 0.000 1.135 247 T CB -0.265 68.612 68.868 0.015 0.000 0.890 247 T HN 0.121 nan 8.240 nan 0.000 0.480 248 L N 1.417 122.651 121.223 0.020 0.000 2.027 248 L HA 0.064 4.403 4.340 -0.000 0.000 0.206 248 L C 2.834 179.714 176.870 0.016 0.000 1.074 248 L CA 1.928 56.786 54.840 0.030 0.000 0.745 248 L CB -1.091 40.988 42.059 0.034 0.000 0.898 248 L HN 0.403 nan 8.230 nan 0.000 0.433 249 Q N -1.004 118.795 119.800 -0.001 0.000 2.096 249 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 249 Q C 2.152 178.144 176.000 -0.012 0.000 0.982 249 Q CA 2.164 57.955 55.803 -0.020 0.000 0.850 249 Q CB -0.184 28.538 28.738 -0.026 0.000 0.901 249 Q HN 0.676 nan 8.270 nan 0.000 0.422 250 Q N -0.687 119.115 119.800 0.003 0.000 2.046 250 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 250 Q C 2.094 178.115 176.000 0.036 0.000 0.975 250 Q CA 1.200 57.012 55.803 0.014 0.000 0.836 250 Q CB -0.218 28.530 28.738 0.017 0.000 0.896 250 Q HN 0.587 nan 8.270 nan 0.000 0.428 251 G N 1.194 110.023 108.800 0.049 0.000 2.421 251 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 251 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 251 G C 1.433 176.389 174.900 0.095 0.000 1.171 251 G CA 0.660 45.809 45.100 0.082 0.000 0.775 251 G HN 0.223 nan 8.290 nan 0.000 0.543 252 I N 0.396 120.999 120.570 0.056 0.000 2.113 252 I HA -0.250 3.919 4.170 -0.000 0.000 0.242 252 I C 2.769 178.903 176.117 0.029 0.000 1.064 252 I CA 1.776 63.088 61.300 0.021 0.000 1.320 252 I CB -0.199 37.757 38.000 -0.075 0.000 1.028 252 I HN 0.204 nan 8.210 nan 0.000 0.406 253 E N 0.456 120.661 120.200 0.009 0.000 2.153 253 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 253 E C 2.233 178.863 176.600 0.050 0.000 0.988 253 E CA 0.891 57.294 56.400 0.004 0.000 0.811 253 E CB -0.012 29.680 29.700 -0.014 0.000 0.746 253 E HN 0.417 nan 8.360 nan 0.000 0.466 254 L N -0.301 120.978 121.223 0.094 0.000 2.093 254 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 254 L C 2.418 179.452 176.870 0.273 0.000 1.085 254 L CA 0.904 55.843 54.840 0.165 0.000 0.755 254 L CB -0.462 41.699 42.059 0.169 0.000 0.904 254 L HN 0.200 nan 8.230 nan 0.000 0.435 255 A N -0.518 122.455 122.820 0.255 0.000 2.019 255 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 255 A C 2.055 179.870 177.584 0.384 0.000 1.164 255 A CA 1.402 53.651 52.037 0.354 0.000 0.644 255 A CB -0.326 18.919 19.000 0.408 0.000 0.805 255 A HN 0.509 nan 8.150 nan 0.000 0.449 256 Q N -0.085 119.845 119.800 0.217 0.000 2.360 256 Q HA 0.179 4.519 4.340 -0.000 0.000 0.202 256 Q C 0.086 176.127 176.000 0.068 0.000 0.915 256 Q CA -0.289 55.582 55.803 0.113 0.000 0.943 256 Q CB 0.307 29.025 28.738 -0.033 0.000 1.064 256 Q HN 0.501 nan 8.270 nan 0.000 0.511 257 S N 0.759 116.497 115.700 0.063 0.000 2.593 257 S HA 0.238 4.708 4.470 -0.000 0.000 0.269 257 S C 0.075 174.562 174.600 -0.188 0.000 1.334 257 S CA -0.304 57.805 58.200 -0.152 0.000 1.015 257 S CB 0.594 63.576 63.200 -0.362 0.000 0.912 257 S HN 0.216 nan 8.310 nan 0.000 0.541 258 R N 1.147 121.496 120.500 -0.253 0.000 2.202 258 R HA 0.252 4.592 4.340 -0.000 0.000 0.334 258 R C -0.360 175.788 176.300 -0.253 0.000 1.036 258 R CA -0.103 55.941 56.100 -0.093 0.000 0.878 258 R CB 0.419 30.666 30.300 -0.089 0.000 1.067 258 R HN 0.670 nan 8.270 nan 0.000 0.457 259 Y N 0.654 120.989 120.300 0.058 0.000 2.479 259 Y HA 0.182 4.732 4.550 -0.000 0.000 0.283 259 Y C 0.062 175.716 175.900 -0.409 0.000 1.109 259 Y CA 0.100 58.110 58.100 -0.149 0.000 1.239 259 Y CB 0.538 38.961 38.460 -0.062 0.000 1.108 259 Y HN 0.471 nan 8.280 nan 0.000 0.548 260 W N -0.275 121.184 121.300 0.266 0.000 3.217 260 W HA 0.560 5.220 4.660 -0.000 0.000 0.323 260 W C -0.684 175.925 176.519 0.151 0.000 1.216 260 W CA -1.278 56.174 57.345 0.179 0.000 1.194 260 W CB 1.182 30.731 29.460 0.149 0.000 1.397 260 W HN -0.486 nan 8.180 nan 0.000 0.537 261 R N 2.306 122.968 120.500 0.271 0.000 2.387 261 R HA 0.749 5.089 4.340 -0.000 0.000 0.314 261 R C -1.308 174.989 176.300 -0.004 0.000 0.958 261 R CA -0.482 55.596 56.100 -0.037 0.000 0.846 261 R CB 0.621 30.891 30.300 -0.050 0.000 1.147 261 R HN 0.601 nan 8.270 nan 0.000 0.447 262 I N 5.844 126.345 120.570 -0.115 0.000 2.698 262 I HA 0.330 4.500 4.170 -0.000 0.000 0.276 262 I C 0.747 176.802 176.117 -0.104 0.000 1.166 262 I CA 0.071 61.343 61.300 -0.047 0.000 1.101 262 I CB 1.642 39.647 38.000 0.009 0.000 1.305 262 I HN 1.046 nan 8.210 nan 0.000 0.526 263 G N 3.865 112.602 108.800 -0.106 0.000 2.609 263 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.288 263 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.288 263 G C 0.588 175.399 174.900 -0.148 0.000 1.211 263 G CA 0.582 45.623 45.100 -0.098 0.000 0.963 263 G HN 0.424 nan 8.290 nan 0.000 0.541 264 D N 0.948 121.275 120.400 -0.121 0.000 2.349 264 D HA 0.289 4.929 4.640 -0.000 0.000 0.214 264 D C 1.123 177.349 176.300 -0.124 0.000 1.063 264 D CA 0.226 54.166 54.000 -0.099 0.000 0.847 264 D CB 0.209 40.981 40.800 -0.047 0.000 0.933 264 D HN 0.354 nan 8.370 nan 0.000 0.513 265 M N 0.297 119.784 119.600 -0.188 0.000 2.472 265 M HA 0.325 4.805 4.480 -0.000 0.000 0.331 265 M C -1.423 174.668 176.300 -0.349 0.000 1.170 265 M CA -0.582 54.664 55.300 -0.091 0.000 1.009 265 M CB 1.505 34.124 32.600 0.033 0.000 1.672 265 M HN -0.222 nan 8.290 nan 0.000 0.453 266 Y N 1.441 121.847 120.300 0.177 0.000 2.409 266 Y HA 0.379 4.929 4.550 -0.000 0.000 0.343 266 Y C -0.381 175.679 175.900 0.267 0.000 0.973 266 Y CA -0.682 57.539 58.100 0.202 0.000 1.064 266 Y CB 1.696 40.248 38.460 0.152 0.000 1.207 266 Y HN 0.544 nan 8.280 nan 0.000 0.452 267 Q N 1.777 121.848 119.800 0.453 0.000 2.278 267 Q HA 0.600 4.940 4.340 -0.000 0.000 0.257 267 Q C -0.144 176.167 176.000 0.517 0.000 0.928 267 Q CA -0.244 55.834 55.803 0.459 0.000 0.932 267 Q CB 1.245 30.257 28.738 0.457 0.000 1.221 267 Q HN 0.892 nan 8.270 nan 0.000 0.434 268 G N 2.569 111.649 108.800 0.467 0.000 2.795 268 G HA2 0.521 4.481 3.960 -0.000 0.000 0.267 268 G HA3 0.521 4.481 3.960 -0.000 0.000 0.267 268 G C -1.036 174.041 174.900 0.295 0.000 1.362 268 G CA -0.875 44.523 45.100 0.498 0.000 1.048 268 G HN 0.600 nan 8.290 nan 0.000 0.547 269 L N 1.454 122.825 121.223 0.247 0.000 2.302 269 L HA 0.424 4.764 4.340 -0.000 0.000 0.285 269 L C 1.378 178.337 176.870 0.148 0.000 1.090 269 L CA 0.736 55.613 54.840 0.062 0.000 0.866 269 L CB 0.289 42.378 42.059 0.050 0.000 1.244 269 L HN 1.091 nan 8.230 nan 0.000 0.435 270 G N 2.374 111.241 108.800 0.111 0.000 4.890 270 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 270 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 270 G C -0.047 174.940 174.900 0.145 0.000 1.472 270 G CA -0.277 44.870 45.100 0.079 0.000 0.962 270 G HN 0.504 nan 8.290 nan 0.000 0.671 271 W N 2.493 123.937 121.300 0.240 0.000 2.274 271 W HA 0.511 5.170 4.660 -0.000 0.000 0.345 271 W C 0.880 177.552 176.519 0.254 0.000 1.265 271 W CA 0.376 57.852 57.345 0.219 0.000 1.293 271 W CB 0.261 29.820 29.460 0.164 0.000 1.175 271 W HN 0.424 nan 8.180 nan 0.000 0.577 272 E N 1.654 122.195 120.200 0.569 0.000 2.293 272 E HA 0.564 4.914 4.350 -0.000 0.000 0.270 272 E C -0.901 175.987 176.600 0.479 0.000 0.879 272 E CA -1.093 55.600 56.400 0.488 0.000 0.756 272 E CB 1.867 31.834 29.700 0.445 0.000 1.208 272 E HN 0.234 nan 8.360 nan 0.000 0.428 273 M N 2.160 121.997 119.600 0.395 0.000 2.550 273 M HA 0.477 4.957 4.480 -0.000 0.000 0.292 273 M C -1.589 174.927 176.300 0.360 0.000 1.221 273 M CA -0.438 55.041 55.300 0.300 0.000 0.873 273 M CB 1.879 34.605 32.600 0.210 0.000 1.727 273 M HN 0.281 nan 8.290 nan 0.000 0.459 274 L N 0.934 122.333 121.223 0.293 0.000 2.354 274 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 274 L C -0.423 176.607 176.870 0.267 0.000 1.008 274 L CA -0.458 54.559 54.840 0.295 0.000 0.819 274 L CB 2.197 44.342 42.059 0.142 0.000 1.339 274 L HN 0.656 nan 8.230 nan 0.000 0.420 275 N N 0.316 119.166 118.700 0.250 0.000 2.441 275 N HA 0.138 4.877 4.740 -0.000 0.000 0.251 275 N C -1.420 174.230 175.510 0.233 0.000 1.242 275 N CA 0.074 53.233 53.050 0.182 0.000 0.898 275 N CB 0.600 39.168 38.487 0.134 0.000 1.100 275 N HN 0.489 nan 8.380 nan 0.000 0.443 276 W N 3.911 125.260 121.300 0.082 0.000 2.606 276 W HA 0.451 5.111 4.660 -0.000 0.000 0.332 276 W C -2.162 174.405 176.519 0.080 0.000 1.052 276 W CA -1.730 55.685 57.345 0.116 0.000 1.223 276 W CB 0.776 30.327 29.460 0.152 0.000 1.383 276 W HN 0.371 nan 8.180 nan 0.000 0.524 277 P HA 0.254 nan 4.420 nan 0.000 0.276 277 P C -1.400 175.629 177.300 -0.451 0.000 1.244 277 P CA -0.210 62.078 63.100 -1.354 0.000 0.801 277 P CB 2.078 32.969 31.700 -1.348 0.000 1.006 278 V N 1.071 120.827 119.914 -0.264 0.000 3.019 278 V HA 0.477 4.596 4.120 -0.000 0.000 0.317 278 V C -0.320 175.605 176.094 -0.282 0.000 1.094 278 V CA -1.064 61.110 62.300 -0.210 0.000 1.000 278 V CB 2.093 33.787 31.823 -0.216 0.000 1.060 278 V HN 0.576 nan 8.190 nan 0.000 0.443 279 K N 3.274 123.476 120.400 -0.330 0.000 2.201 279 K HA 0.674 4.994 4.320 -0.000 0.000 0.278 279 K C 0.908 177.117 176.600 -0.653 0.000 1.027 279 K CA 0.530 56.585 56.287 -0.387 0.000 0.909 279 K CB 1.411 33.757 32.500 -0.256 0.000 1.062 279 K HN 0.817 nan 8.250 nan 0.000 0.465 280 A N 3.285 125.523 122.820 -0.969 0.000 1.927 280 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 280 A C 1.780 178.949 177.584 -0.691 0.000 1.185 280 A CA 2.450 53.697 52.037 -1.317 0.000 0.639 280 A CB -0.901 17.168 19.000 -1.552 0.000 0.820 280 A HN 1.042 nan 8.150 nan 0.000 0.451 281 D N -0.903 119.223 120.400 -0.458 0.000 2.178 281 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 281 D C 2.080 178.230 176.300 -0.249 0.000 0.980 281 D CA 1.496 55.321 54.000 -0.291 0.000 0.842 281 D CB 0.040 40.716 40.800 -0.207 0.000 0.948 281 D HN 0.387 nan 8.370 nan 0.000 0.472 282 S N -0.271 115.266 115.700 -0.272 0.000 2.353 282 S HA -0.169 4.301 4.470 -0.000 0.000 0.222 282 S C 2.134 176.623 174.600 -0.185 0.000 1.035 282 S CA 1.463 59.541 58.200 -0.204 0.000 1.025 282 S CB -0.487 62.595 63.200 -0.197 0.000 0.902 282 S HN 0.524 nan 8.310 nan 0.000 0.440 283 I N -0.098 120.311 120.570 -0.269 0.000 2.286 283 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 283 I C 2.016 178.082 176.117 -0.085 0.000 1.104 283 I CA 1.222 62.429 61.300 -0.155 0.000 1.397 283 I CB -0.629 37.202 38.000 -0.281 0.000 1.072 283 I HN 0.155 nan 8.210 nan 0.000 0.417 284 I N 1.055 121.522 120.570 -0.171 0.000 2.142 284 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 284 I C 2.866 178.924 176.117 -0.097 0.000 1.078 284 I CA 1.543 62.766 61.300 -0.129 0.000 1.343 284 I CB -0.534 37.372 38.000 -0.157 0.000 1.046 284 I HN 0.240 nan 8.210 nan 0.000 0.405 285 S N 0.704 116.340 115.700 -0.107 0.000 2.359 285 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 285 S C 2.091 176.655 174.600 -0.061 0.000 1.038 285 S CA 1.768 59.919 58.200 -0.083 0.000 1.051 285 S CB -0.812 62.333 63.200 -0.092 0.000 0.944 285 S HN 0.649 nan 8.310 nan 0.000 0.433 286 G N -0.183 108.587 108.800 -0.049 0.000 2.479 286 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.220 286 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.220 286 G C 1.552 176.439 174.900 -0.022 0.000 1.115 286 G CA 1.134 46.221 45.100 -0.022 0.000 0.757 286 G HN 0.518 nan 8.290 nan 0.000 0.560 287 S N -0.396 115.289 115.700 -0.025 0.000 2.436 287 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 287 S C 0.949 175.503 174.600 -0.077 0.000 1.014 287 S CA -0.060 58.111 58.200 -0.049 0.000 0.950 287 S CB -0.105 63.059 63.200 -0.059 0.000 0.784 287 S HN 0.604 nan 8.310 nan 0.000 0.504 288 D N 0.292 120.652 120.400 -0.066 0.000 2.423 288 D HA 0.077 4.717 4.640 -0.000 0.000 0.238 288 D C 1.239 177.502 176.300 -0.060 0.000 1.142 288 D CA 0.382 54.346 54.000 -0.061 0.000 0.884 288 D CB 0.854 41.623 40.800 -0.052 0.000 1.199 288 D HN 0.050 nan 8.370 nan 0.000 0.438 289 S N 3.198 118.867 115.700 -0.052 0.000 2.387 289 S HA -0.299 4.170 4.470 -0.000 0.000 0.230 289 S C 1.830 176.410 174.600 -0.033 0.000 1.035 289 S CA 1.829 60.003 58.200 -0.043 0.000 1.014 289 S CB -0.299 62.884 63.200 -0.029 0.000 0.836 289 S HN 0.603 nan 8.310 nan 0.000 0.466 290 K N -0.125 120.258 120.400 -0.028 0.000 2.127 290 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 290 K C 1.655 178.239 176.600 -0.026 0.000 1.047 290 K CA 2.040 58.313 56.287 -0.022 0.000 0.927 290 K CB -0.135 32.350 32.500 -0.024 0.000 0.716 290 K HN 0.413 nan 8.250 nan 0.000 0.450 291 V N -0.222 119.669 119.914 -0.038 0.000 2.690 291 V HA 0.090 4.210 4.120 -0.000 0.000 0.240 291 V C 2.201 178.263 176.094 -0.054 0.000 1.078 291 V CA 1.087 63.361 62.300 -0.042 0.000 1.102 291 V CB 0.005 31.801 31.823 -0.044 0.000 0.800 291 V HN 0.428 nan 8.190 nan 0.000 0.479 292 A N -0.061 122.711 122.820 -0.079 0.000 1.940 292 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 292 A C 1.892 179.398 177.584 -0.131 0.000 1.176 292 A CA 1.879 53.831 52.037 -0.140 0.000 0.631 292 A CB -0.417 18.466 19.000 -0.195 0.000 0.814 292 A HN 0.407 nan 8.150 nan 0.000 0.446 293 L N -1.127 120.058 121.223 -0.063 0.000 2.628 293 L HA 0.407 4.747 4.340 -0.000 0.000 0.229 293 L C 1.037 177.925 176.870 0.030 0.000 1.137 293 L CA 0.279 55.120 54.840 0.003 0.000 0.909 293 L CB -0.577 41.488 42.059 0.010 0.000 1.137 293 L HN 0.359 nan 8.230 nan 0.000 0.470 294 A N -0.385 122.439 122.820 0.007 0.000 2.279 294 A HA 0.778 5.098 4.320 -0.000 0.000 0.303 294 A C 0.138 177.722 177.584 0.001 0.000 1.108 294 A CA -0.123 51.923 52.037 0.014 0.000 0.830 294 A CB 0.530 19.525 19.000 -0.008 0.000 1.106 294 A HN 0.214 nan 8.150 nan 0.000 0.493 295 A N 1.563 124.381 122.820 -0.003 0.000 2.302 295 A HA 0.608 4.928 4.320 -0.000 0.000 0.295 295 A C -0.391 177.068 177.584 -0.207 0.000 1.235 295 A CA -0.126 51.833 52.037 -0.131 0.000 0.876 295 A CB -0.388 18.523 19.000 -0.150 0.000 1.133 295 A HN 0.747 nan 8.150 nan 0.000 0.533 296 L N 3.795 124.887 121.223 -0.219 0.000 2.370 296 L HA 0.470 4.810 4.340 -0.000 0.000 0.266 296 L C -2.421 174.320 176.870 -0.216 0.000 1.002 296 L CA -2.463 52.272 54.840 -0.176 0.000 0.818 296 L CB 2.606 44.606 42.059 -0.098 0.000 1.325 296 L HN 0.406 nan 8.230 nan 0.000 0.418 297 P HA 0.135 nan 4.420 nan 0.000 0.268 297 P C -1.089 176.168 177.300 -0.071 0.000 1.204 297 P CA -0.120 62.892 63.100 -0.147 0.000 0.768 297 P CB 0.834 32.479 31.700 -0.091 0.000 0.842 298 A N 3.221 126.018 122.820 -0.037 0.000 2.342 298 A HA 0.544 4.864 4.320 -0.000 0.000 0.323 298 A C -0.717 177.043 177.584 0.293 0.000 1.125 298 A CA -0.671 51.428 52.037 0.103 0.000 0.785 298 A CB 1.036 19.981 19.000 -0.092 0.000 1.221 298 A HN 0.322 nan 8.150 nan 0.000 0.463 299 V N 2.884 123.000 119.914 0.336 0.000 2.350 299 V HA 0.212 4.332 4.120 -0.000 0.000 0.276 299 V C 0.509 176.770 176.094 0.279 0.000 1.028 299 V CA -0.448 62.015 62.300 0.272 0.000 0.860 299 V CB 1.008 32.912 31.823 0.134 0.000 0.990 299 V HN 1.023 nan 8.190 nan 0.000 0.453 300 E N 3.366 123.633 120.200 0.112 0.000 2.413 300 E HA 0.219 4.569 4.350 -0.000 0.000 0.263 300 E C -0.933 175.488 176.600 -0.297 0.000 1.015 300 E CA -0.170 55.934 56.400 -0.493 0.000 0.916 300 E CB 1.160 30.528 29.700 -0.553 0.000 0.947 300 E HN 0.491 nan 8.360 nan 0.000 0.440 301 V N 6.241 125.910 119.914 -0.407 0.000 2.284 301 V HA 0.207 4.326 4.120 -0.000 0.000 0.274 301 V C -0.238 175.703 176.094 -0.255 0.000 1.023 301 V CA -0.529 61.639 62.300 -0.220 0.000 0.808 301 V CB 0.632 32.378 31.823 -0.128 0.000 1.035 301 V HN 0.611 nan 8.190 nan 0.000 0.445 302 N N 5.630 124.219 118.700 -0.184 0.000 2.399 302 N HA 0.549 5.289 4.740 -0.000 0.000 0.280 302 N C -2.373 173.079 175.510 -0.096 0.000 1.008 302 N CA -1.114 51.848 53.050 -0.145 0.000 0.894 302 N CB 2.763 41.170 38.487 -0.133 0.000 1.273 302 N HN 0.433 nan 8.380 nan 0.000 0.486 303 P HA 0.344 nan 4.420 nan 0.000 0.274 303 P C -2.844 174.360 177.300 -0.161 0.000 1.246 303 P CA -1.002 62.036 63.100 -0.102 0.000 0.795 303 P CB -0.223 31.433 31.700 -0.072 0.000 1.006 304 P HA 0.094 nan 4.420 nan 0.000 0.265 304 P C -0.436 176.682 177.300 -0.305 0.000 1.193 304 P CA 0.045 62.906 63.100 -0.400 0.000 0.765 304 P CB 0.107 31.306 31.700 -0.836 0.000 0.823 305 A N 6.099 128.759 122.820 -0.267 0.000 2.450 305 A HA 0.424 4.744 4.320 -0.000 0.000 0.255 305 A C -2.023 175.441 177.584 -0.201 0.000 1.096 305 A CA -1.184 50.737 52.037 -0.194 0.000 0.778 305 A CB -1.019 17.879 19.000 -0.170 0.000 1.031 305 A HN 0.390 nan 8.150 nan 0.000 0.494 306 P HA 0.293 nan 4.420 nan 0.000 0.272 306 P C -0.011 177.221 177.300 -0.114 0.000 1.230 306 P CA -0.088 62.940 63.100 -0.121 0.000 0.788 306 P CB 0.521 32.167 31.700 -0.089 0.000 0.949 307 A N 1.635 124.400 122.820 -0.092 0.000 2.531 307 A HA 0.382 4.702 4.320 -0.000 0.000 0.236 307 A C 0.335 177.868 177.584 -0.085 0.000 1.062 307 A CA -0.041 51.944 52.037 -0.087 0.000 0.760 307 A CB -0.607 18.350 19.000 -0.072 0.000 0.995 307 A HN 0.434 nan 8.150 nan 0.000 0.501 308 V N 0.487 120.348 119.914 -0.088 0.000 2.667 308 V HA 0.519 4.639 4.120 -0.000 0.000 0.308 308 V C 0.715 176.772 176.094 -0.061 0.000 1.048 308 V CA -0.998 61.260 62.300 -0.071 0.000 0.928 308 V CB 1.583 33.363 31.823 -0.072 0.000 1.004 308 V HN 0.804 nan 8.190 nan 0.000 0.444 309 K N 2.602 122.970 120.400 -0.052 0.000 2.097 309 K HA 0.151 4.470 4.320 -0.000 0.000 0.205 309 K C 1.354 177.917 176.600 -0.062 0.000 1.050 309 K CA 1.644 57.889 56.287 -0.070 0.000 0.938 309 K CB -0.590 31.864 32.500 -0.075 0.000 0.718 309 K HN 1.006 nan 8.250 nan 0.000 0.442 310 A N 1.953 124.787 122.820 0.023 0.000 3.063 310 A HA 0.285 4.605 4.320 -0.000 0.000 0.263 310 A C -0.475 177.233 177.584 0.207 0.000 1.736 310 A CA -0.079 52.062 52.037 0.173 0.000 1.408 310 A CB -0.302 18.870 19.000 0.287 0.000 1.108 310 A HN 0.037 nan 8.150 nan 0.000 0.621 311 S N 0.786 116.556 115.700 0.116 0.000 2.548 311 S HA 0.551 5.021 4.470 -0.000 0.000 0.286 311 S C -1.058 173.628 174.600 0.144 0.000 1.098 311 S CA -0.565 57.708 58.200 0.122 0.000 0.930 311 S CB 1.287 64.468 63.200 -0.032 0.000 1.070 311 S HN 0.691 nan 8.310 nan 0.000 0.480 312 W N 4.103 125.413 121.300 0.017 0.000 2.294 312 W HA 0.570 5.230 4.660 -0.000 0.000 0.314 312 W C -1.887 174.485 176.519 -0.245 0.000 1.044 312 W CA -0.622 56.681 57.345 -0.071 0.000 1.284 312 W CB 0.701 30.203 29.460 0.070 0.000 1.231 312 W HN 0.355 nan 8.180 nan 0.000 0.419 313 V N 7.711 127.258 119.914 -0.610 0.000 2.398 313 V HA 0.435 4.554 4.120 -0.000 0.000 0.286 313 V C 0.024 175.771 176.094 -0.577 0.000 1.026 313 V CA -0.290 61.606 62.300 -0.674 0.000 0.868 313 V CB 1.038 32.026 31.823 -1.391 0.000 0.982 313 V HN 0.680 nan 8.190 nan 0.000 0.443 314 H N 2.613 121.646 119.070 -0.061 0.000 2.918 314 H HA 0.906 5.462 4.556 -0.000 0.000 0.303 314 H C -1.273 174.268 175.328 0.355 0.000 1.380 314 H CA -1.337 54.768 56.048 0.095 0.000 1.134 314 H CB 2.201 32.022 29.762 0.100 0.000 1.842 314 H HN 0.429 nan 8.280 nan 0.000 0.533 315 K N 1.134 121.610 120.400 0.127 0.000 2.579 315 K HA 0.239 4.559 4.320 -0.000 0.000 0.257 315 K C -1.341 175.335 176.600 0.126 0.000 0.950 315 K CA 0.032 56.358 56.287 0.065 0.000 0.862 315 K CB 1.997 34.546 32.500 0.080 0.000 1.317 315 K HN 0.945 nan 8.250 nan 0.000 0.436 316 T N -0.141 114.505 114.554 0.152 0.000 2.902 316 T HA 0.897 5.247 4.350 -0.000 0.000 0.280 316 T C 0.237 175.029 174.700 0.153 0.000 0.992 316 T CA -0.371 61.872 62.100 0.239 0.000 1.015 316 T CB 1.622 70.552 68.868 0.102 0.000 1.044 316 T HN 0.731 nan 8.240 nan 0.000 0.520 317 G N 0.058 108.952 108.800 0.156 0.000 2.752 317 G HA2 0.531 4.491 3.960 -0.000 0.000 0.298 317 G HA3 0.531 4.491 3.960 -0.000 0.000 0.298 317 G C -1.362 173.629 174.900 0.152 0.000 1.434 317 G CA -0.788 44.407 45.100 0.158 0.000 1.004 317 G HN 0.823 nan 8.290 nan 0.000 0.560 318 S N -0.349 115.434 115.700 0.139 0.000 2.569 318 S HA 0.904 5.374 4.470 -0.000 0.000 0.280 318 S C 0.069 174.744 174.600 0.125 0.000 1.111 318 S CA -0.389 57.896 58.200 0.142 0.000 0.887 318 S CB 2.206 65.461 63.200 0.093 0.000 1.095 318 S HN 1.347 nan 8.310 nan 0.000 0.476 319 T N -1.774 112.886 114.554 0.178 0.000 2.858 319 T HA 0.655 5.005 4.350 -0.000 0.000 0.285 319 T C 1.383 176.182 174.700 0.165 0.000 1.052 319 T CA -0.216 61.962 62.100 0.130 0.000 1.009 319 T CB 0.898 69.865 68.868 0.165 0.000 1.241 319 T HN 0.558 nan 8.240 nan 0.000 0.542 320 G N -0.163 108.711 108.800 0.124 0.000 2.469 320 G HA2 0.084 4.044 3.960 -0.000 0.000 0.220 320 G HA3 0.084 4.044 3.960 -0.000 0.000 0.220 320 G C 1.166 176.158 174.900 0.155 0.000 1.136 320 G CA 0.672 45.839 45.100 0.112 0.000 0.759 320 G HN 1.205 nan 8.290 nan 0.000 0.562 321 G N -1.360 107.591 108.800 0.252 0.000 3.324 321 G HA2 0.500 4.459 3.960 -0.000 0.000 0.251 321 G HA3 0.500 4.459 3.960 -0.000 0.000 0.251 321 G C -0.364 174.608 174.900 0.121 0.000 1.072 321 G CA -0.511 44.690 45.100 0.169 0.000 0.787 321 G HN 0.241 nan 8.290 nan 0.000 0.537 322 F N -0.933 119.146 119.950 0.216 0.000 2.613 322 F HA 0.659 5.186 4.527 -0.000 0.000 0.310 322 F C 0.206 176.141 175.800 0.225 0.000 1.085 322 F CA -1.002 57.164 58.000 0.277 0.000 0.945 322 F CB 2.516 41.703 39.000 0.310 0.000 1.298 322 F HN 0.024 nan 8.300 nan 0.000 0.455 323 G N 0.882 109.953 108.800 0.451 0.000 2.739 323 G HA2 0.566 4.525 3.960 -0.000 0.000 0.291 323 G HA3 0.566 4.525 3.960 -0.000 0.000 0.291 323 G C -1.607 173.470 174.900 0.295 0.000 1.478 323 G CA -0.709 44.552 45.100 0.270 0.000 1.062 323 G HN 0.742 nan 8.290 nan 0.000 0.532 324 S N 0.923 116.769 115.700 0.243 0.000 2.632 324 S HA 0.873 5.343 4.470 -0.000 0.000 0.289 324 S C -1.306 173.478 174.600 0.308 0.000 1.115 324 S CA -1.049 57.308 58.200 0.261 0.000 0.889 324 S CB 2.336 65.681 63.200 0.243 0.000 1.116 324 S HN 1.125 nan 8.310 nan 0.000 0.486 325 Y N -0.196 120.206 120.300 0.170 0.000 2.480 325 Y HA 0.610 5.160 4.550 -0.000 0.000 0.329 325 Y C -2.085 173.960 175.900 0.243 0.000 1.127 325 Y CA -0.773 57.439 58.100 0.186 0.000 1.037 325 Y CB 1.586 40.151 38.460 0.175 0.000 1.320 325 Y HN 0.755 nan 8.280 nan 0.000 0.446 326 V N 4.651 124.377 119.914 -0.312 0.000 2.686 326 V HA 0.947 5.067 4.120 -0.000 0.000 0.306 326 V C -0.975 174.919 176.094 -0.334 0.000 1.065 326 V CA -0.193 62.041 62.300 -0.111 0.000 0.894 326 V CB 1.549 33.518 31.823 0.244 0.000 1.004 326 V HN 0.936 nan 8.190 nan 0.000 0.424 327 A N 4.707 127.373 122.820 -0.256 0.000 2.549 327 A HA 1.045 5.365 4.320 -0.000 0.000 0.297 327 A C -1.355 176.025 177.584 -0.340 0.000 1.061 327 A CA -0.539 51.226 52.037 -0.454 0.000 0.690 327 A CB 1.904 20.567 19.000 -0.562 0.000 1.287 327 A HN 1.556 nan 8.150 nan 0.000 0.402 328 F N -0.706 118.869 119.950 -0.625 0.000 2.665 328 F HA 0.706 5.233 4.527 -0.000 0.000 0.308 328 F C -1.517 173.956 175.800 -0.546 0.000 1.112 328 F CA -1.128 56.566 58.000 -0.510 0.000 0.972 328 F CB 1.444 40.204 39.000 -0.399 0.000 1.295 328 F HN 0.311 nan 8.300 nan 0.000 0.440 329 V N 3.327 123.088 119.914 -0.255 0.000 2.325 329 V HA 0.314 4.433 4.120 -0.000 0.000 0.280 329 V C -1.955 174.002 176.094 -0.227 0.000 1.016 329 V CA -1.646 60.453 62.300 -0.334 0.000 0.818 329 V CB 1.332 32.860 31.823 -0.492 0.000 1.019 329 V HN 0.684 nan 8.190 nan 0.000 0.434 330 P HA -0.209 nan 4.420 nan 0.000 0.216 330 P C 1.667 178.846 177.300 -0.202 0.000 1.154 330 P CA 1.187 64.212 63.100 -0.125 0.000 0.865 330 P CB 0.507 32.155 31.700 -0.086 0.000 0.789 331 E N 0.023 120.059 120.200 -0.274 0.000 2.147 331 E HA -0.226 4.123 4.350 -0.000 0.000 0.199 331 E C 1.312 177.725 176.600 -0.311 0.000 1.005 331 E CA 1.639 57.857 56.400 -0.304 0.000 0.810 331 E CB -0.380 29.036 29.700 -0.473 0.000 0.736 331 E HN 0.051 nan 8.360 nan 0.000 0.460 332 K N -0.242 119.939 120.400 -0.364 0.000 2.358 332 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 332 K C 0.207 176.685 176.600 -0.203 0.000 1.030 332 K CA 0.174 56.300 56.287 -0.268 0.000 1.097 332 K CB 0.358 32.689 32.500 -0.283 0.000 0.862 332 K HN 0.072 nan 8.250 nan 0.000 0.534 333 N N 1.285 119.869 118.700 -0.193 0.000 2.696 333 N HA -0.213 4.527 4.740 -0.000 0.000 0.256 333 N C -1.383 174.047 175.510 -0.134 0.000 1.031 333 N CA 0.351 53.303 53.050 -0.165 0.000 0.730 333 N CB -1.137 37.251 38.487 -0.166 0.000 0.894 333 N HN 0.192 nan 8.380 nan 0.000 0.544 334 L N -0.328 120.826 121.223 -0.115 0.000 2.431 334 L HA 0.918 5.258 4.340 -0.000 0.000 0.266 334 L C 0.340 177.179 176.870 -0.051 0.000 0.978 334 L CA 0.279 55.088 54.840 -0.051 0.000 0.822 334 L CB 1.931 43.953 42.059 -0.061 0.000 1.310 334 L HN 0.231 nan 8.230 nan 0.000 0.409 335 G N 3.954 112.752 108.800 -0.003 0.000 2.550 335 G HA2 0.615 4.575 3.960 -0.000 0.000 0.293 335 G HA3 0.615 4.575 3.960 -0.000 0.000 0.293 335 G C -2.225 172.709 174.900 0.057 0.000 1.402 335 G CA -0.427 44.675 45.100 0.003 0.000 0.784 335 G HN 0.774 nan 8.290 nan 0.000 0.482 336 I N -0.390 120.223 120.570 0.072 0.000 2.775 336 I HA 0.566 4.736 4.170 -0.000 0.000 0.295 336 I C -1.402 174.811 176.117 0.159 0.000 1.287 336 I CA -0.916 60.467 61.300 0.138 0.000 1.029 336 I CB 2.258 40.362 38.000 0.173 0.000 1.282 336 I HN 0.387 nan 8.210 nan 0.000 0.426 337 V N 7.542 127.579 119.914 0.205 0.000 2.487 337 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 337 V C -0.400 175.841 176.094 0.244 0.000 1.028 337 V CA -0.361 62.072 62.300 0.222 0.000 0.860 337 V CB 1.788 33.750 31.823 0.232 0.000 0.991 337 V HN 0.622 nan 8.190 nan 0.000 0.427 338 M N 6.579 126.331 119.600 0.254 0.000 2.067 338 M HA 0.550 5.030 4.480 -0.000 0.000 0.286 338 M C -1.348 175.069 176.300 0.194 0.000 0.922 338 M CA -0.108 55.347 55.300 0.259 0.000 0.937 338 M CB 1.637 34.440 32.600 0.337 0.000 1.550 338 M HN 0.383 nan 8.290 nan 0.000 0.433 339 L N 2.781 124.028 121.223 0.040 0.000 2.322 339 L HA 0.996 5.335 4.340 -0.000 0.000 0.281 339 L C -0.239 176.544 176.870 -0.145 0.000 1.014 339 L CA -0.705 54.029 54.840 -0.177 0.000 0.815 339 L CB 1.738 43.382 42.059 -0.692 0.000 1.247 339 L HN 0.741 nan 8.230 nan 0.000 0.421 340 A N 1.853 124.790 122.820 0.195 0.000 2.515 340 A HA 0.541 4.860 4.320 -0.000 0.000 0.298 340 A C -0.395 177.516 177.584 0.545 0.000 1.059 340 A CA -0.763 51.497 52.037 0.371 0.000 0.698 340 A CB 1.340 20.583 19.000 0.405 0.000 1.289 340 A HN 0.753 nan 8.150 nan 0.000 0.404 341 N N 1.100 120.052 118.700 0.420 0.000 2.378 341 N HA 0.129 4.869 4.740 -0.000 0.000 0.243 341 N C -0.356 175.164 175.510 0.017 0.000 1.137 341 N CA -0.026 53.019 53.050 -0.007 0.000 0.862 341 N CB 0.251 38.648 38.487 -0.150 0.000 1.116 341 N HN 0.601 nan 8.380 nan 0.000 0.499 342 K N -0.453 120.044 120.400 0.161 0.000 2.501 342 K HA 0.259 4.579 4.320 -0.000 0.000 0.252 342 K C -1.408 175.386 176.600 0.324 0.000 0.934 342 K CA -0.515 55.886 56.287 0.191 0.000 0.797 342 K CB 1.717 34.308 32.500 0.152 0.000 1.270 342 K HN -0.030 nan 8.250 nan 0.000 0.431 343 S N 4.436 120.289 115.700 0.255 0.000 2.400 343 S HA 0.282 4.752 4.470 -0.000 0.000 0.295 343 S C -0.872 173.869 174.600 0.236 0.000 1.113 343 S CA -0.561 57.778 58.200 0.231 0.000 1.064 343 S CB -0.283 63.011 63.200 0.158 0.000 0.990 343 S HN 0.472 nan 8.310 nan 0.000 0.502 344 Y N 2.612 122.956 120.300 0.073 0.000 2.549 344 Y HA 0.779 5.329 4.550 -0.000 0.000 0.339 344 Y C -2.897 173.025 175.900 0.036 0.000 1.053 344 Y CA -3.304 54.823 58.100 0.045 0.000 1.105 344 Y CB -0.199 38.284 38.460 0.038 0.000 1.258 344 Y HN 0.342 nan 8.280 nan 0.000 0.478 345 P HA 0.005 nan 4.420 nan 0.000 0.260 345 P C -0.185 176.990 177.300 -0.207 0.000 1.172 345 P CA 0.811 63.858 63.100 -0.087 0.000 0.760 345 P CB 0.543 32.241 31.700 -0.003 0.000 0.773 346 N N 4.874 123.463 118.700 -0.185 0.000 2.049 346 N HA -0.218 4.522 4.740 -0.000 0.000 0.198 346 N C -0.920 174.478 175.510 -0.187 0.000 1.030 346 N CA 1.546 54.477 53.050 -0.199 0.000 0.870 346 N CB -1.146 37.257 38.487 -0.140 0.000 1.045 346 N HN 0.520 nan 8.380 nan 0.000 0.434 347 P HA -0.094 nan 4.420 nan 0.000 0.218 347 P C 1.222 178.484 177.300 -0.064 0.000 1.148 347 P CA 0.838 63.884 63.100 -0.091 0.000 0.822 347 P CB 0.108 31.770 31.700 -0.063 0.000 0.784 348 V N -0.578 119.315 119.914 -0.035 0.000 2.453 348 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 348 V C 2.490 178.628 176.094 0.073 0.000 1.048 348 V CA 1.648 63.981 62.300 0.055 0.000 1.049 348 V CB -0.917 31.011 31.823 0.175 0.000 0.672 348 V HN -0.022 nan 8.190 nan 0.000 0.457 349 R N -0.090 120.369 120.500 -0.068 0.000 2.082 349 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 349 R C 2.220 178.429 176.300 -0.152 0.000 1.136 349 R CA 1.776 57.811 56.100 -0.109 0.000 0.935 349 R CB -0.884 29.209 30.300 -0.345 0.000 0.842 349 R HN 0.382 nan 8.270 nan 0.000 0.430 350 V N 0.863 120.595 119.914 -0.303 0.000 2.287 350 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 350 V C 2.273 178.403 176.094 0.059 0.000 1.053 350 V CA 2.169 64.314 62.300 -0.258 0.000 1.027 350 V CB -0.536 31.150 31.823 -0.228 0.000 0.646 350 V HN 0.442 nan 8.190 nan 0.000 0.447 351 E N 0.179 120.408 120.200 0.049 0.000 2.106 351 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 351 E C 2.239 178.957 176.600 0.197 0.000 0.984 351 E CA 1.194 57.669 56.400 0.125 0.000 0.806 351 E CB -0.166 29.568 29.700 0.058 0.000 0.750 351 E HN 0.565 nan 8.360 nan 0.000 0.458 352 A N 1.330 124.243 122.820 0.155 0.000 1.902 352 A HA -0.096 4.223 4.320 -0.000 0.000 0.217 352 A C 2.397 180.107 177.584 0.210 0.000 1.181 352 A CA 1.759 53.890 52.037 0.156 0.000 0.623 352 A CB -0.754 18.328 19.000 0.138 0.000 0.818 352 A HN 0.407 nan 8.150 nan 0.000 0.443 353 A N -1.016 121.976 122.820 0.285 0.000 1.858 353 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 353 A C 2.145 179.982 177.584 0.423 0.000 1.190 353 A CA 1.475 53.757 52.037 0.407 0.000 0.617 353 A CB -1.071 18.331 19.000 0.671 0.000 0.827 353 A HN 0.851 nan 8.150 nan 0.000 0.443 354 W N 1.051 122.518 121.300 0.278 0.000 2.317 354 W HA -0.224 4.436 4.660 -0.000 0.000 0.318 354 W C 2.340 178.955 176.519 0.159 0.000 1.227 354 W CA 2.158 59.636 57.345 0.223 0.000 1.269 354 W CB -0.387 29.121 29.460 0.080 0.000 1.155 354 W HN 0.344 nan 8.180 nan 0.000 0.484 355 R N -0.074 120.562 120.500 0.227 0.000 2.094 355 R HA -0.238 4.102 4.340 -0.000 0.000 0.239 355 R C 2.168 178.447 176.300 -0.036 0.000 1.137 355 R CA 2.327 58.482 56.100 0.092 0.000 0.943 355 R CB -1.070 29.304 30.300 0.123 0.000 0.850 355 R HN 0.311 nan 8.270 nan 0.000 0.433 356 I N 0.639 121.214 120.570 0.010 0.000 2.058 356 I HA -0.311 3.859 4.170 -0.000 0.000 0.235 356 I C 2.203 178.280 176.117 -0.067 0.000 1.053 356 I CA 1.143 62.431 61.300 -0.019 0.000 1.313 356 I CB -0.442 37.573 38.000 0.025 0.000 1.039 356 I HN 0.055 nan 8.210 nan 0.000 0.396 357 L N 0.797 122.000 121.223 -0.034 0.000 2.189 357 L HA -0.231 4.108 4.340 -0.000 0.000 0.214 357 L C 2.487 179.243 176.870 -0.189 0.000 1.097 357 L CA 1.858 56.672 54.840 -0.044 0.000 0.764 357 L CB -1.256 40.863 42.059 0.099 0.000 0.900 357 L HN 0.398 nan 8.230 nan 0.000 0.436 358 E N -0.245 119.686 120.200 -0.448 0.000 2.153 358 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 358 E C 2.009 178.483 176.600 -0.209 0.000 0.988 358 E CA 1.410 57.488 56.400 -0.536 0.000 0.811 358 E CB -0.101 29.127 29.700 -0.786 0.000 0.746 358 E HN 0.281 nan 8.360 nan 0.000 0.466 359 K N -0.092 120.221 120.400 -0.146 0.000 2.211 359 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 359 K C 1.876 178.442 176.600 -0.057 0.000 1.050 359 K CA 1.208 57.443 56.287 -0.086 0.000 0.945 359 K CB 0.049 32.491 32.500 -0.096 0.000 0.732 359 K HN 0.353 nan 8.250 nan 0.000 0.451 360 L N 0.663 121.859 121.223 -0.045 0.000 2.556 360 L HA 0.080 4.420 4.340 -0.000 0.000 0.226 360 L C 1.579 178.548 176.870 0.165 0.000 1.089 360 L CA -0.200 54.666 54.840 0.043 0.000 0.864 360 L CB -0.296 41.746 42.059 -0.028 0.000 1.067 360 L HN 0.137 nan 8.230 nan 0.000 0.477 361 Q N 0.000 119.862 119.800 0.103 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.901 55.803 0.164 0.000 1.022 361 Q CB 0.000 28.868 28.738 0.217 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481