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 2won_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFXXXQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFR KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXMGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLCKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQLE 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.656 174.600 0.094 0.000 1.055 3 S CA 0.000 58.250 58.200 0.083 0.000 1.107 3 S CB 0.000 63.250 63.200 0.084 0.000 0.593 4 P HA 0.294 nan 4.420 nan 0.000 0.267 4 P C -0.197 177.155 177.300 0.087 0.000 1.201 4 P CA -0.189 62.966 63.100 0.092 0.000 0.775 4 P CB 0.415 32.162 31.700 0.079 0.000 0.854 5 I N -0.470 120.155 120.570 0.093 0.000 3.516 5 I HA 0.260 4.429 4.170 -0.001 0.000 0.302 5 I C 0.315 176.477 176.117 0.075 0.000 1.143 5 I CA -0.965 60.384 61.300 0.083 0.000 1.003 5 I CB 0.583 38.641 38.000 0.096 0.000 1.347 5 I HN 0.240 nan 8.210 nan 0.000 0.486 6 E N 3.006 123.245 120.200 0.065 0.000 2.159 6 E HA 0.115 4.464 4.350 -0.001 0.000 0.272 6 E C -0.337 176.302 176.600 0.064 0.000 1.138 6 E CA -0.025 56.409 56.400 0.057 0.000 0.915 6 E CB 0.357 30.084 29.700 0.046 0.000 1.028 6 E HN 0.590 nan 8.360 nan 0.000 0.423 7 T N -0.634 113.962 114.554 0.070 0.000 2.930 7 T HA 0.166 4.515 4.350 -0.001 0.000 0.306 7 T C 0.532 175.270 174.700 0.063 0.000 1.045 7 T CA -0.806 61.341 62.100 0.078 0.000 1.134 7 T CB 0.909 69.830 68.868 0.089 0.000 0.961 7 T HN 0.041 nan 8.240 nan 0.000 0.545 8 V N 6.543 126.492 119.914 0.058 0.000 2.405 8 V HA 0.253 4.372 4.120 -0.001 0.000 0.264 8 V C -1.607 174.509 176.094 0.037 0.000 1.048 8 V CA -1.664 60.657 62.300 0.036 0.000 0.966 8 V CB 0.159 31.992 31.823 0.016 0.000 1.015 8 V HN 0.857 nan 8.190 nan 0.000 0.477 9 P HA 0.094 nan 4.420 nan 0.000 0.262 9 P C -0.451 176.869 177.300 0.034 0.000 1.199 9 P CA 0.279 63.410 63.100 0.052 0.000 0.763 9 P CB 0.777 32.509 31.700 0.052 0.000 0.790 10 V N 4.776 124.708 119.914 0.031 0.000 2.716 10 V HA 0.493 4.612 4.120 -0.001 0.000 0.304 10 V C 0.652 176.814 176.094 0.114 0.000 1.053 10 V CA -0.390 61.886 62.300 -0.039 0.000 0.984 10 V CB 1.492 33.048 31.823 -0.445 0.000 1.021 10 V HN 0.593 nan 8.190 nan 0.000 0.467 11 K N 3.415 123.882 120.400 0.111 0.000 2.513 11 K HA 0.606 4.925 4.320 -0.001 0.000 0.251 11 K C -1.464 175.226 176.600 0.150 0.000 0.939 11 K CA -0.780 55.604 56.287 0.161 0.000 0.793 11 K CB 2.053 34.608 32.500 0.092 0.000 1.241 11 K HN 0.450 nan 8.250 nan 0.000 0.431 12 L N 2.363 123.670 121.223 0.139 0.000 2.464 12 L HA 0.215 4.555 4.340 -0.001 0.000 0.264 12 L C 0.543 177.425 176.870 0.021 0.000 1.199 12 L CA -0.543 54.319 54.840 0.037 0.000 0.818 12 L CB 0.368 42.346 42.059 -0.135 0.000 1.102 12 L HN 0.559 nan 8.230 nan 0.000 0.473 13 K N 2.364 122.765 120.400 0.002 0.000 2.485 13 K HA 0.095 4.415 4.320 -0.001 0.000 0.277 13 K C -2.188 174.411 176.600 -0.002 0.000 0.990 13 K CA -1.344 54.940 56.287 -0.005 0.000 0.994 13 K CB -0.221 32.272 32.500 -0.012 0.000 0.906 13 K HN 0.333 nan 8.250 nan 0.000 0.488 14 P HA -0.123 nan 4.420 nan 0.000 0.263 14 P C 0.741 178.046 177.300 0.007 0.000 1.195 14 P CA 0.831 63.936 63.100 0.009 0.000 0.762 14 P CB 0.784 32.489 31.700 0.007 0.000 0.799 15 G N 2.916 111.724 108.800 0.013 0.000 2.454 15 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.225 15 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.225 15 G C 0.387 175.294 174.900 0.012 0.000 1.138 15 G CA -0.143 44.966 45.100 0.015 0.000 0.667 15 G HN 0.475 nan 8.290 nan 0.000 0.512 16 M N 1.598 121.197 119.600 -0.001 0.000 2.250 16 M HA 0.385 4.865 4.480 -0.001 0.000 0.337 16 M C 0.112 176.389 176.300 -0.039 0.000 1.161 16 M CA 0.551 55.841 55.300 -0.017 0.000 1.088 16 M CB 0.639 33.222 32.600 -0.028 0.000 1.639 16 M HN 0.443 nan 8.290 nan 0.000 0.447 17 D N 0.975 121.355 120.400 -0.033 0.000 2.423 17 D HA 0.591 5.230 4.640 -0.001 0.000 0.235 17 D C 0.050 176.269 176.300 -0.135 0.000 1.011 17 D CA -0.181 53.801 54.000 -0.029 0.000 0.963 17 D CB 1.417 42.281 40.800 0.106 0.000 1.349 17 D HN 0.677 nan 8.370 nan 0.000 0.508 18 G N 0.937 109.564 108.800 -0.288 0.000 2.720 18 G HA2 0.241 4.200 3.960 -0.001 0.000 0.237 18 G HA3 0.241 4.200 3.960 -0.001 0.000 0.237 18 G C -2.132 172.737 174.900 -0.051 0.000 1.239 18 G CA -0.726 44.025 45.100 -0.582 0.000 0.847 18 G HN 0.460 nan 8.290 nan 0.000 0.593 19 P HA 0.247 nan 4.420 nan 0.000 0.275 19 P C -0.795 176.633 177.300 0.214 0.000 1.227 19 P CA -0.118 63.043 63.100 0.101 0.000 0.781 19 P CB 1.136 32.891 31.700 0.090 0.000 0.906 20 K N 1.667 122.152 120.400 0.142 0.000 3.253 20 K HA 0.295 4.615 4.320 -0.001 0.000 0.174 20 K C -0.790 175.823 176.600 0.022 0.000 1.071 20 K CA -0.455 55.891 56.287 0.098 0.000 0.836 20 K CB 1.028 33.576 32.500 0.081 0.000 0.922 20 K HN 0.209 nan 8.250 nan 0.000 0.565 21 V N 1.748 121.664 119.914 0.002 0.000 2.432 21 V HA 0.194 4.313 4.120 -0.001 0.000 0.275 21 V C 0.438 176.410 176.094 -0.203 0.000 1.043 21 V CA -0.829 61.423 62.300 -0.080 0.000 0.925 21 V CB 0.952 32.757 31.823 -0.029 0.000 0.985 21 V HN 0.359 nan 8.190 nan 0.000 0.466 22 K N 2.806 123.020 120.400 -0.310 0.000 2.414 22 K HA 0.199 4.519 4.320 -0.001 0.000 0.272 22 K C -0.034 176.161 176.600 -0.676 0.000 0.993 22 K CA -0.316 55.738 56.287 -0.389 0.000 0.964 22 K CB 0.442 32.742 32.500 -0.334 0.000 0.925 22 K HN 0.626 nan 8.250 nan 0.000 0.487 23 Q N 2.262 121.768 119.800 -0.490 0.000 2.279 23 Q HA 0.131 4.470 4.340 -0.001 0.000 0.256 23 Q C -1.598 174.132 176.000 -0.450 0.000 0.937 23 Q CA -0.334 55.157 55.803 -0.520 0.000 0.933 23 Q CB 0.520 29.113 28.738 -0.241 0.000 1.189 23 Q HN 0.331 nan 8.270 nan 0.000 0.417 24 W N 5.009 126.280 121.300 -0.048 0.000 2.251 24 W HA 0.471 5.130 4.660 -0.001 0.000 0.329 24 W C -1.951 174.549 176.519 -0.033 0.000 1.234 24 W CA -2.426 54.928 57.345 0.015 0.000 1.228 24 W CB -0.529 29.017 29.460 0.143 0.000 1.135 24 W HN 0.531 nan 8.180 nan 0.000 0.576 25 P HA 0.146 nan 4.420 nan 0.000 0.268 25 P C -0.719 176.612 177.300 0.052 0.000 1.205 25 P CA 0.226 63.365 63.100 0.066 0.000 0.771 25 P CB 1.080 32.799 31.700 0.032 0.000 0.858 26 L N 1.364 122.584 121.223 -0.005 0.000 2.323 26 L HA 0.469 4.809 4.340 -0.001 0.000 0.265 26 L C 1.112 177.937 176.870 -0.076 0.000 1.012 26 L CA -0.943 53.871 54.840 -0.043 0.000 0.820 26 L CB 1.951 43.972 42.059 -0.063 0.000 1.334 26 L HN 0.368 nan 8.230 nan 0.000 0.427 27 T N -3.548 110.943 114.554 -0.106 0.000 2.868 27 T HA 0.070 4.419 4.350 -0.001 0.000 0.292 27 T C 0.861 175.494 174.700 -0.112 0.000 1.028 27 T CA -0.451 61.589 62.100 -0.100 0.000 1.059 27 T CB 1.482 70.291 68.868 -0.100 0.000 0.991 27 T HN 0.790 nan 8.240 nan 0.000 0.531 28 E N 0.551 120.700 120.200 -0.084 0.000 2.097 28 E HA -0.292 4.058 4.350 -0.001 0.000 0.196 28 E C 1.919 178.448 176.600 -0.119 0.000 1.000 28 E CA 1.762 58.112 56.400 -0.083 0.000 0.804 28 E CB -0.103 29.566 29.700 -0.052 0.000 0.740 28 E HN 0.921 nan 8.360 nan 0.000 0.454 29 E N 0.573 120.702 120.200 -0.119 0.000 2.049 29 E HA -0.272 4.077 4.350 -0.001 0.000 0.198 29 E C 1.933 178.292 176.600 -0.401 0.000 1.007 29 E CA 1.765 58.071 56.400 -0.156 0.000 0.809 29 E CB 0.012 29.684 29.700 -0.047 0.000 0.749 29 E HN 0.190 nan 8.360 nan 0.000 0.450 30 K N 0.021 120.143 120.400 -0.464 0.000 2.103 30 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 30 K C 2.306 178.666 176.600 -0.400 0.000 1.052 30 K CA 1.174 57.083 56.287 -0.631 0.000 0.945 30 K CB -0.074 32.150 32.500 -0.461 0.000 0.722 30 K HN 0.265 nan 8.250 nan 0.000 0.443 31 I N 1.179 121.602 120.570 -0.245 0.000 2.142 31 I HA -0.282 3.888 4.170 -0.001 0.000 0.240 31 I C 2.192 178.217 176.117 -0.153 0.000 1.078 31 I CA 1.162 62.367 61.300 -0.157 0.000 1.343 31 I CB -0.175 37.763 38.000 -0.104 0.000 1.046 31 I HN 0.010 nan 8.210 nan 0.000 0.405 32 K N 1.178 121.483 120.400 -0.159 0.000 2.034 32 K HA -0.200 4.120 4.320 -0.001 0.000 0.214 32 K C 2.140 178.650 176.600 -0.149 0.000 1.051 32 K CA 1.931 58.144 56.287 -0.123 0.000 0.931 32 K CB -0.685 31.753 32.500 -0.103 0.000 0.715 32 K HN 0.363 nan 8.250 nan 0.000 0.446 33 A N 0.389 123.038 122.820 -0.285 0.000 1.908 33 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 33 A C 2.199 179.680 177.584 -0.173 0.000 1.181 33 A CA 1.620 53.475 52.037 -0.304 0.000 0.627 33 A CB -0.715 17.796 19.000 -0.817 0.000 0.818 33 A HN 0.256 nan 8.150 nan 0.000 0.445 34 L N -0.697 120.418 121.223 -0.180 0.000 2.093 34 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 34 L C 2.526 179.372 176.870 -0.040 0.000 1.085 34 L CA 0.858 55.642 54.840 -0.092 0.000 0.755 34 L CB -0.516 41.497 42.059 -0.078 0.000 0.904 34 L HN 0.252 nan 8.230 nan 0.000 0.435 35 V N -0.005 119.890 119.914 -0.032 0.000 2.261 35 V HA -0.315 3.805 4.120 -0.001 0.000 0.246 35 V C 2.494 178.586 176.094 -0.004 0.000 1.047 35 V CA 2.081 64.385 62.300 0.008 0.000 1.015 35 V CB -0.433 31.390 31.823 -0.000 0.000 0.642 35 V HN 0.509 nan 8.190 nan 0.000 0.446 36 E N -0.014 120.174 120.200 -0.020 0.000 2.058 36 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 36 E C 2.215 178.805 176.600 -0.016 0.000 0.997 36 E CA 1.927 58.322 56.400 -0.010 0.000 0.801 36 E CB -0.172 29.527 29.700 -0.000 0.000 0.746 36 E HN 0.602 nan 8.360 nan 0.000 0.450 37 I N 0.425 120.980 120.570 -0.024 0.000 2.179 37 I HA -0.323 3.847 4.170 -0.001 0.000 0.242 37 I C 2.589 178.654 176.117 -0.087 0.000 1.088 37 I CA 0.779 62.058 61.300 -0.035 0.000 1.357 37 I CB -0.264 37.724 38.000 -0.019 0.000 1.051 37 I HN 0.359 nan 8.210 nan 0.000 0.409 38 C N 0.513 119.741 119.300 -0.120 0.000 2.457 38 C HA -0.120 4.340 4.460 -0.001 0.000 0.278 38 C C 3.076 177.931 174.990 -0.225 0.000 1.309 38 C CA 1.590 60.444 59.018 -0.274 0.000 1.735 38 C CB -1.210 26.287 27.740 -0.406 0.000 1.992 38 C HN 0.609 nan 8.230 nan 0.000 0.493 39 T N -1.160 113.357 114.554 -0.062 0.000 3.007 39 T HA -0.170 4.179 4.350 -0.001 0.000 0.270 39 T C 1.486 176.169 174.700 -0.028 0.000 1.107 39 T CA 1.563 63.666 62.100 0.005 0.000 1.118 39 T CB -0.316 68.574 68.868 0.036 0.000 0.889 39 T HN 0.708 nan 8.240 nan 0.000 0.506 40 E N 0.370 120.537 120.200 -0.054 0.000 2.140 40 E HA 0.107 4.457 4.350 -0.001 0.000 0.191 40 E C 2.130 178.681 176.600 -0.081 0.000 0.973 40 E CA 0.283 56.653 56.400 -0.049 0.000 0.829 40 E CB -0.108 29.570 29.700 -0.036 0.000 0.781 40 E HN 0.511 nan 8.360 nan 0.000 0.466 41 M N 0.450 119.967 119.600 -0.139 0.000 2.319 41 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 41 M C 2.193 178.393 176.300 -0.165 0.000 1.068 41 M CA 1.112 56.295 55.300 -0.195 0.000 1.118 41 M CB -0.024 32.400 32.600 -0.293 0.000 1.395 41 M HN 0.109 nan 8.290 nan 0.000 0.435 42 E N 1.107 121.228 120.200 -0.131 0.000 2.047 42 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 42 E C 1.786 178.369 176.600 -0.028 0.000 0.987 42 E CA 1.264 57.633 56.400 -0.051 0.000 0.799 42 E CB 0.141 29.872 29.700 0.050 0.000 0.752 42 E HN 0.388 nan 8.360 nan 0.000 0.449 43 K N 0.318 120.702 120.400 -0.025 0.000 2.103 43 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 43 K C 1.826 178.416 176.600 -0.017 0.000 1.048 43 K CA 1.631 57.909 56.287 -0.015 0.000 0.930 43 K CB -0.059 32.433 32.500 -0.012 0.000 0.716 43 K HN 0.257 nan 8.250 nan 0.000 0.444 44 E N -0.432 119.748 120.200 -0.034 0.000 2.502 44 E HA -0.001 4.349 4.350 -0.001 0.000 0.194 44 E C 0.849 177.436 176.600 -0.022 0.000 1.062 44 E CA 0.282 56.666 56.400 -0.027 0.000 0.867 44 E CB 0.232 29.907 29.700 -0.041 0.000 0.888 44 E HN 0.495 nan 8.360 nan 0.000 0.510 45 G N 2.042 110.826 108.800 -0.027 0.000 2.168 45 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.263 45 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.263 45 G C 0.913 175.800 174.900 -0.023 0.000 0.977 45 G CA 0.952 46.044 45.100 -0.013 0.000 0.659 45 G HN 0.297 nan 8.290 nan 0.000 0.533 46 K N -0.338 120.015 120.400 -0.079 0.000 2.148 46 K HA 0.212 4.532 4.320 -0.001 0.000 0.204 46 K C 1.463 177.963 176.600 -0.167 0.000 1.050 46 K CA 1.456 57.676 56.287 -0.111 0.000 0.942 46 K CB 0.026 32.358 32.500 -0.280 0.000 0.724 46 K HN 0.845 nan 8.250 nan 0.000 0.446 47 I N -3.062 117.380 120.570 -0.213 0.000 2.969 47 I HA 0.415 4.584 4.170 -0.001 0.000 0.307 47 I C -1.075 175.013 176.117 -0.049 0.000 1.149 47 I CA -1.068 60.097 61.300 -0.226 0.000 1.008 47 I CB 2.600 40.340 38.000 -0.432 0.000 1.232 47 I HN -0.184 nan 8.210 nan 0.000 0.435 48 S N 1.550 117.271 115.700 0.034 0.000 2.556 48 S HA 0.530 5.000 4.470 -0.001 0.000 0.271 48 S C -0.889 173.737 174.600 0.045 0.000 1.135 48 S CA -1.187 57.056 58.200 0.072 0.000 0.858 48 S CB 1.777 64.983 63.200 0.011 0.000 1.114 48 S HN 0.708 nan 8.310 nan 0.000 0.468 49 K N 1.168 121.524 120.400 -0.074 0.000 2.440 49 K HA 0.332 4.652 4.320 -0.001 0.000 0.270 49 K C 0.033 176.515 176.600 -0.197 0.000 0.980 49 K CA 0.119 56.230 56.287 -0.295 0.000 0.953 49 K CB 0.059 32.367 32.500 -0.321 0.000 0.925 49 K HN 0.742 nan 8.250 nan 0.000 0.497 50 I N -2.718 117.712 120.570 -0.235 0.000 3.042 50 I HA 0.574 4.743 4.170 -0.001 0.000 0.310 50 I C 0.142 176.162 176.117 -0.161 0.000 1.117 50 I CA -1.153 60.050 61.300 -0.162 0.000 1.003 50 I CB 2.058 39.976 38.000 -0.137 0.000 1.228 50 I HN 0.528 nan 8.210 nan 0.000 0.443 51 G N 1.282 110.007 108.800 -0.124 0.000 2.531 51 G HA2 0.552 4.511 3.960 -0.001 0.000 0.313 51 G HA3 0.552 4.511 3.960 -0.001 0.000 0.313 51 G C -1.856 172.976 174.900 -0.113 0.000 1.238 51 G CA -1.375 43.656 45.100 -0.114 0.000 0.994 51 G HN 0.607 nan 8.290 nan 0.000 0.493 52 P HA -0.043 nan 4.420 nan 0.000 0.237 52 P C 1.128 178.363 177.300 -0.108 0.000 1.178 52 P CA 0.725 63.763 63.100 -0.104 0.000 0.766 52 P CB 0.309 31.954 31.700 -0.092 0.000 0.876 53 E N -0.326 119.814 120.200 -0.101 0.000 2.478 53 E HA -0.090 4.259 4.350 -0.001 0.000 0.198 53 E C 0.272 176.794 176.600 -0.130 0.000 1.046 53 E CA 0.275 56.613 56.400 -0.103 0.000 0.870 53 E CB -0.755 28.896 29.700 -0.082 0.000 0.818 53 E HN 0.116 nan 8.360 nan 0.000 0.527 54 N N 2.398 121.018 118.700 -0.132 0.000 2.500 54 N HA 0.105 4.845 4.740 -0.001 0.000 0.236 54 N C -1.907 173.476 175.510 -0.212 0.000 1.022 54 N CA -1.811 51.152 53.050 -0.145 0.000 0.935 54 N CB 1.475 39.915 38.487 -0.078 0.000 1.147 54 N HN -0.049 nan 8.380 nan 0.000 0.512 55 P HA 0.102 nan 4.420 nan 0.000 0.257 55 P C -0.673 176.385 177.300 -0.402 0.000 1.281 55 P CA 0.072 62.931 63.100 -0.402 0.000 0.826 55 P CB -0.019 31.402 31.700 -0.464 0.000 1.237 56 Y N 0.835 121.129 120.300 -0.010 0.000 2.335 56 Y HA 0.559 5.109 4.550 -0.001 0.000 0.323 56 Y C 0.857 176.763 175.900 0.010 0.000 1.224 56 Y CA -0.704 57.408 58.100 0.020 0.000 1.241 56 Y CB 0.695 39.193 38.460 0.064 0.000 1.235 56 Y HN -0.126 nan 8.280 nan 0.000 0.492 57 N N -0.679 118.141 118.700 0.201 0.000 2.446 57 N HA 0.457 5.196 4.740 -0.001 0.000 0.272 57 N C -1.863 173.708 175.510 0.101 0.000 1.127 57 N CA -0.416 52.701 53.050 0.112 0.000 0.896 57 N CB 1.713 40.211 38.487 0.019 0.000 1.658 57 N HN 0.546 nan 8.380 nan 0.000 0.483 58 T N 2.926 117.542 114.554 0.103 0.000 2.848 58 T HA 0.560 4.910 4.350 -0.001 0.000 0.285 58 T C -2.752 171.935 174.700 -0.022 0.000 0.995 58 T CA -1.032 61.098 62.100 0.051 0.000 0.970 58 T CB 1.947 70.849 68.868 0.056 0.000 0.976 58 T HN 0.306 nan 8.240 nan 0.000 0.441 59 P HA 0.350 nan 4.420 nan 0.000 0.269 59 P C -1.089 176.073 177.300 -0.230 0.000 1.209 59 P CA -0.387 62.642 63.100 -0.118 0.000 0.776 59 P CB 0.589 32.433 31.700 0.241 0.000 0.876 60 V N 3.044 122.699 119.914 -0.432 0.000 2.789 60 V HA 0.575 4.695 4.120 -0.001 0.000 0.311 60 V C -0.426 175.288 176.094 -0.633 0.000 1.073 60 V CA -0.254 61.801 62.300 -0.409 0.000 0.921 60 V CB 1.396 33.073 31.823 -0.245 0.000 1.009 60 V HN 0.414 nan 8.190 nan 0.000 0.426 61 F N 0.914 120.839 119.950 -0.041 0.000 2.706 61 F HA 0.904 5.431 4.527 -0.001 0.000 0.328 61 F C 0.149 175.879 175.800 -0.116 0.000 1.123 61 F CA -1.000 56.938 58.000 -0.103 0.000 0.978 61 F CB 1.811 40.690 39.000 -0.202 0.000 1.404 61 F HN 0.546 nan 8.300 nan 0.000 0.497 62 A N 1.354 124.219 122.820 0.076 0.000 2.353 62 A HA 0.844 5.164 4.320 -0.001 0.000 0.299 62 A C -0.869 176.824 177.584 0.182 0.000 1.089 62 A CA -0.502 51.562 52.037 0.044 0.000 0.736 62 A CB 0.653 19.510 19.000 -0.238 0.000 1.195 62 A HN 0.759 nan 8.150 nan 0.000 0.447 63 I N -1.242 119.484 120.570 0.259 0.000 3.522 63 I HA 0.861 5.031 4.170 -0.001 0.000 0.292 63 I C -0.772 175.467 176.117 0.204 0.000 1.147 63 I CA -1.387 60.043 61.300 0.216 0.000 1.032 63 I CB 2.195 40.268 38.000 0.122 0.000 1.337 63 I HN 0.416 nan 8.210 nan 0.000 0.496 64 K N 1.288 121.696 120.400 0.013 0.000 2.615 64 K HA 0.442 4.762 4.320 -0.001 0.000 0.249 64 K C -1.371 175.171 176.600 -0.097 0.000 0.977 64 K CA -0.783 55.437 56.287 -0.112 0.000 0.833 64 K CB 2.192 34.502 32.500 -0.316 0.000 1.208 64 K HN 0.356 nan 8.250 nan 0.000 0.443 65 K N 1.278 121.628 120.400 -0.084 0.000 2.149 65 K HA 0.172 4.491 4.320 -0.001 0.000 0.245 65 K C 0.018 176.558 176.600 -0.101 0.000 1.024 65 K CA -0.502 55.726 56.287 -0.098 0.000 0.899 65 K CB 0.317 32.764 32.500 -0.089 0.000 1.038 65 K HN 0.198 nan 8.250 nan 0.000 0.496 66 K N 1.343 121.685 120.400 -0.097 0.000 2.355 66 K HA -0.002 4.317 4.320 -0.001 0.000 0.270 66 K C -0.949 175.610 176.600 -0.068 0.000 1.003 66 K CA 0.488 56.728 56.287 -0.078 0.000 0.957 66 K CB 0.038 32.497 32.500 -0.067 0.000 0.939 66 K HN 0.625 nan 8.250 nan 0.000 0.482 67 D N 0.311 120.675 120.400 -0.060 0.000 2.723 67 D HA -0.183 4.456 4.640 -0.001 0.000 0.236 67 D C -1.281 174.982 176.300 -0.062 0.000 1.138 67 D CA 1.419 55.388 54.000 -0.052 0.000 0.676 67 D CB -1.023 39.754 40.800 -0.039 0.000 1.069 67 D HN 0.343 nan 8.370 nan 0.000 0.430 68 S N -1.071 114.580 115.700 -0.081 0.000 2.566 68 S HA 0.602 5.071 4.470 -0.001 0.000 0.273 68 S C 0.245 174.760 174.600 -0.141 0.000 1.157 68 S CA -0.023 58.120 58.200 -0.095 0.000 0.938 68 S CB 1.411 64.559 63.200 -0.086 0.000 1.087 68 S HN 0.282 nan 8.310 nan 0.000 0.474 69 T N 0.915 115.378 114.554 -0.152 0.000 3.288 69 T HA 0.429 4.778 4.350 -0.001 0.000 0.293 69 T C -0.376 174.167 174.700 -0.261 0.000 1.008 69 T CA -0.447 61.521 62.100 -0.220 0.000 0.929 69 T CB -0.273 68.499 68.868 -0.160 0.000 1.152 69 T HN 0.484 nan 8.240 nan 0.000 0.517 70 K N 1.296 121.575 120.400 -0.201 0.000 2.394 70 K HA 0.332 4.651 4.320 -0.001 0.000 0.260 70 K C -0.979 175.578 176.600 -0.071 0.000 0.967 70 K CA -0.785 55.428 56.287 -0.124 0.000 0.855 70 K CB 1.411 33.892 32.500 -0.032 0.000 1.101 70 K HN 0.312 nan 8.250 nan 0.000 0.433 71 W N 2.920 124.210 121.300 -0.017 0.000 2.391 71 W HA -0.051 4.608 4.660 -0.001 0.000 0.339 71 W C 0.977 177.490 176.519 -0.009 0.000 1.252 71 W CA 0.081 57.415 57.345 -0.019 0.000 1.304 71 W CB 0.314 29.763 29.460 -0.019 0.000 1.179 71 W HN 0.383 nan 8.180 nan 0.000 0.567 72 R N 3.379 124.059 120.500 0.300 0.000 2.750 72 R HA 0.344 4.683 4.340 -0.001 0.000 0.281 72 R C -0.852 175.542 176.300 0.158 0.000 0.972 72 R CA -1.024 55.182 56.100 0.176 0.000 0.912 72 R CB 1.345 31.716 30.300 0.118 0.000 1.187 72 R HN 0.449 nan 8.270 nan 0.000 0.464 73 K N 3.769 124.234 120.400 0.108 0.000 2.234 73 K HA 0.238 4.557 4.320 -0.001 0.000 0.282 73 K C -1.380 175.269 176.600 0.081 0.000 1.039 73 K CA -0.545 55.777 56.287 0.059 0.000 0.928 73 K CB 0.839 33.344 32.500 0.008 0.000 1.039 73 K HN 0.367 nan 8.250 nan 0.000 0.470 74 L N 5.687 126.960 121.223 0.084 0.000 2.372 74 L HA 0.336 4.676 4.340 -0.001 0.000 0.273 74 L C -1.506 175.420 176.870 0.094 0.000 0.989 74 L CA -0.583 54.336 54.840 0.130 0.000 0.841 74 L CB 1.720 43.892 42.059 0.188 0.000 1.225 74 L HN 0.349 nan 8.230 nan 0.000 0.414 75 V N 3.560 123.456 119.914 -0.030 0.000 2.439 75 V HA 0.316 4.436 4.120 -0.001 0.000 0.282 75 V C -0.271 175.714 176.094 -0.182 0.000 1.039 75 V CA -0.589 61.543 62.300 -0.279 0.000 0.913 75 V CB 1.487 32.883 31.823 -0.713 0.000 0.983 75 V HN 0.745 nan 8.190 nan 0.000 0.460 76 D N 3.614 123.984 120.400 -0.051 0.000 2.494 76 D HA 0.215 4.854 4.640 -0.001 0.000 0.217 76 D C 0.247 176.563 176.300 0.027 0.000 1.153 76 D CA -0.307 53.773 54.000 0.133 0.000 0.954 76 D CB 0.139 41.211 40.800 0.453 0.000 1.034 76 D HN 0.355 nan 8.370 nan 0.000 0.518 77 F N 1.815 121.866 119.950 0.169 0.000 2.769 77 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 77 F C 2.083 177.966 175.800 0.138 0.000 1.158 77 F CA -0.143 57.947 58.000 0.150 0.000 1.398 77 F CB -0.091 39.018 39.000 0.181 0.000 1.094 77 F HN 0.273 nan 8.300 nan 0.000 0.553 78 R N 0.091 120.737 120.500 0.243 0.000 2.103 78 R HA -0.189 4.150 4.340 -0.001 0.000 0.242 78 R C 2.055 178.449 176.300 0.158 0.000 1.142 78 R CA 1.495 57.683 56.100 0.147 0.000 0.960 78 R CB -0.176 30.143 30.300 0.032 0.000 0.858 78 R HN 0.186 nan 8.270 nan 0.000 0.439 79 E N 0.614 120.916 120.200 0.170 0.000 2.028 79 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 79 E C 1.962 178.660 176.600 0.163 0.000 0.988 79 E CA 0.824 57.310 56.400 0.144 0.000 0.799 79 E CB -0.318 29.458 29.700 0.126 0.000 0.755 79 E HN 0.127 nan 8.360 nan 0.000 0.447 80 L N 1.972 123.325 121.223 0.215 0.000 2.079 80 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 80 L C 1.633 178.689 176.870 0.310 0.000 1.081 80 L CA 1.593 56.554 54.840 0.201 0.000 0.752 80 L CB -0.596 41.575 42.059 0.186 0.000 0.896 80 L HN 0.024 nan 8.230 nan 0.000 0.433 81 N N 0.046 118.950 118.700 0.339 0.000 2.120 81 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 81 N C 1.788 177.534 175.510 0.393 0.000 1.024 81 N CA 1.436 54.678 53.050 0.320 0.000 0.852 81 N CB -0.221 38.329 38.487 0.106 0.000 1.003 81 N HN 0.433 nan 8.380 nan 0.000 0.424 82 K N 0.609 121.165 120.400 0.261 0.000 2.209 82 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 82 K C 1.577 178.273 176.600 0.159 0.000 1.048 82 K CA 0.789 57.200 56.287 0.208 0.000 0.940 82 K CB 0.054 32.630 32.500 0.127 0.000 0.729 82 K HN 0.186 nan 8.250 nan 0.000 0.451 83 R N -0.032 120.559 120.500 0.151 0.000 2.317 83 R HA 0.074 4.414 4.340 -0.001 0.000 0.208 83 R C 0.196 176.566 176.300 0.116 0.000 0.914 83 R CA 0.312 56.461 56.100 0.081 0.000 1.060 83 R CB 0.563 30.867 30.300 0.008 0.000 1.015 83 R HN -0.028 nan 8.270 nan 0.000 0.498 84 T N 1.216 115.915 114.554 0.241 0.000 2.940 84 T HA 0.257 4.607 4.350 -0.001 0.000 0.288 84 T C -0.760 173.987 174.700 0.079 0.000 1.033 84 T CA -0.651 61.625 62.100 0.294 0.000 1.033 84 T CB 1.670 70.905 68.868 0.612 0.000 1.079 84 T HN 0.254 nan 8.240 nan 0.000 0.496 85 Q N 2.590 122.320 119.800 -0.116 0.000 2.397 85 Q HA -0.082 4.257 4.340 -0.001 0.000 0.235 85 Q C -0.382 175.468 176.000 -0.251 0.000 0.665 85 Q CA 0.161 55.677 55.803 -0.478 0.000 0.718 85 Q CB -1.296 26.691 28.738 -1.251 0.000 0.548 85 Q HN 0.817 nan 8.270 nan 0.000 0.405 86 D N 0.852 121.162 120.400 -0.150 0.000 4.578 86 D HA -0.311 4.328 4.640 -0.001 0.000 0.244 86 D C 0.445 176.664 176.300 -0.135 0.000 0.702 86 D CA 2.748 56.681 54.000 -0.111 0.000 1.778 86 D CB -1.304 39.471 40.800 -0.041 0.000 1.050 86 D HN 0.658 nan 8.370 nan 0.000 0.397 92 L N 2.925 124.111 121.223 -0.063 0.000 2.494 92 L HA 0.494 4.834 4.340 -0.001 0.000 0.251 92 L C 0.599 177.453 176.870 -0.028 0.000 1.119 92 L CA 0.310 55.126 54.840 -0.040 0.000 1.026 92 L CB -0.287 41.751 42.059 -0.036 0.000 1.370 92 L HN 0.499 nan 8.230 nan 0.000 0.426 93 G N 2.057 110.852 108.800 -0.007 0.000 2.653 93 G HA2 0.516 4.476 3.960 -0.001 0.000 0.265 93 G HA3 0.516 4.476 3.960 -0.001 0.000 0.265 93 G C -0.024 174.913 174.900 0.062 0.000 1.237 93 G CA -0.511 44.615 45.100 0.042 0.000 0.946 93 G HN 0.397 nan 8.290 nan 0.000 0.522 94 I N 1.297 121.934 120.570 0.111 0.000 2.330 94 I HA 0.240 4.409 4.170 -0.001 0.000 0.289 94 I C -2.005 174.260 176.117 0.246 0.000 1.001 94 I CA -1.642 59.745 61.300 0.145 0.000 1.193 94 I CB 1.903 39.968 38.000 0.109 0.000 1.345 94 I HN 0.212 nan 8.210 nan 0.000 0.461 95 P HA 0.098 nan 4.420 nan 0.000 0.271 95 P C -0.841 176.617 177.300 0.263 0.000 1.216 95 P CA -0.083 63.137 63.100 0.201 0.000 0.771 95 P CB 0.313 32.083 31.700 0.116 0.000 0.864 96 H N 4.109 123.216 119.070 0.061 0.000 2.652 96 H HA 0.309 4.865 4.556 -0.001 0.000 0.298 96 H C -1.959 173.235 175.328 -0.223 0.000 1.076 96 H CA -1.891 54.004 56.048 -0.254 0.000 1.360 96 H CB 0.275 29.852 29.762 -0.309 0.000 1.421 96 H HN 0.273 nan 8.280 nan 0.000 0.464 97 P HA 0.141 nan 4.420 nan 0.000 0.281 97 P C -0.089 176.814 177.300 -0.661 0.000 1.252 97 P CA -0.379 62.420 63.100 -0.502 0.000 0.778 97 P CB 1.636 33.157 31.700 -0.299 0.000 0.895 98 A N 3.187 125.813 122.820 -0.323 0.000 2.167 98 A HA 0.124 4.443 4.320 -0.001 0.000 0.214 98 A C 2.070 179.548 177.584 -0.176 0.000 1.151 98 A CA 1.231 53.142 52.037 -0.211 0.000 0.735 98 A CB -0.973 17.980 19.000 -0.077 0.000 0.802 98 A HN 0.634 nan 8.150 nan 0.000 0.467 99 G N -0.334 108.364 108.800 -0.171 0.000 2.464 99 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.217 99 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.217 99 G C 1.349 176.171 174.900 -0.130 0.000 1.138 99 G CA 0.877 45.905 45.100 -0.120 0.000 0.793 99 G HN 0.396 nan 8.290 nan 0.000 0.539 100 L N 1.785 122.900 121.223 -0.181 0.000 2.013 100 L HA -0.121 4.219 4.340 -0.001 0.000 0.212 100 L C 2.942 179.723 176.870 -0.150 0.000 1.073 100 L CA 2.596 57.349 54.840 -0.145 0.000 0.753 100 L CB -0.439 41.507 42.059 -0.188 0.000 0.890 100 L HN 0.458 nan 8.230 nan 0.000 0.432 101 K N -1.168 119.131 120.400 -0.169 0.000 2.360 101 K HA -0.169 4.150 4.320 -0.001 0.000 0.201 101 K C 1.662 178.151 176.600 -0.186 0.000 1.046 101 K CA 1.448 57.626 56.287 -0.182 0.000 0.945 101 K CB -0.304 32.102 32.500 -0.157 0.000 0.750 101 K HN 0.333 nan 8.250 nan 0.000 0.464 102 K N 0.607 120.921 120.400 -0.144 0.000 2.361 102 K HA 0.106 4.426 4.320 -0.001 0.000 0.194 102 K C -0.035 176.495 176.600 -0.118 0.000 1.032 102 K CA -0.104 56.113 56.287 -0.117 0.000 1.048 102 K CB 0.367 32.819 32.500 -0.080 0.000 0.842 102 K HN -0.017 nan 8.250 nan 0.000 0.526 103 K N 1.660 121.985 120.400 -0.126 0.000 2.414 103 K HA 0.016 4.335 4.320 -0.001 0.000 0.272 103 K C 0.831 177.352 176.600 -0.132 0.000 0.993 103 K CA 0.380 56.605 56.287 -0.104 0.000 0.964 103 K CB 0.675 33.130 32.500 -0.076 0.000 0.925 103 K HN -0.038 nan 8.250 nan 0.000 0.487 104 K N 0.505 120.849 120.400 -0.095 0.000 2.097 104 K HA -0.083 4.236 4.320 -0.001 0.000 0.206 104 K C 0.413 176.979 176.600 -0.056 0.000 1.049 104 K CA 1.114 57.353 56.287 -0.080 0.000 0.933 104 K CB 0.148 32.613 32.500 -0.058 0.000 0.717 104 K HN 0.730 nan 8.250 nan 0.000 0.442 105 S N -0.714 114.889 115.700 -0.162 0.000 2.536 105 S HA 0.505 4.975 4.470 -0.001 0.000 0.271 105 S C -0.814 173.596 174.600 -0.318 0.000 1.134 105 S CA -1.142 56.877 58.200 -0.302 0.000 0.897 105 S CB 2.361 65.290 63.200 -0.452 0.000 1.094 105 S HN -0.159 nan 8.310 nan 0.000 0.473 106 V N 1.928 121.695 119.914 -0.245 0.000 2.588 106 V HA 0.655 4.774 4.120 -0.001 0.000 0.304 106 V C -0.362 175.751 176.094 0.031 0.000 1.042 106 V CA -0.407 61.879 62.300 -0.024 0.000 0.877 106 V CB 2.017 33.855 31.823 0.024 0.000 0.996 106 V HN 1.046 nan 8.190 nan 0.000 0.425 107 T N 3.857 118.500 114.554 0.148 0.000 2.823 107 T HA 0.577 4.927 4.350 -0.001 0.000 0.279 107 T C -0.349 174.332 174.700 -0.033 0.000 0.998 107 T CA -0.403 61.749 62.100 0.087 0.000 0.994 107 T CB 1.733 70.695 68.868 0.157 0.000 0.960 107 T HN 0.379 nan 8.240 nan 0.000 0.448 108 V N 4.504 124.351 119.914 -0.112 0.000 2.407 108 V HA 0.475 4.594 4.120 -0.001 0.000 0.278 108 V C -0.638 175.334 176.094 -0.202 0.000 1.037 108 V CA -0.782 61.343 62.300 -0.291 0.000 0.900 108 V CB 1.006 32.649 31.823 -0.300 0.000 0.983 108 V HN 0.564 nan 8.190 nan 0.000 0.459 109 L N 4.043 125.133 121.223 -0.222 0.000 2.356 109 L HA 0.491 4.831 4.340 -0.001 0.000 0.277 109 L C -0.099 176.681 176.870 -0.150 0.000 0.996 109 L CA -0.193 54.554 54.840 -0.154 0.000 0.822 109 L CB 1.688 43.666 42.059 -0.135 0.000 1.256 109 L HN 0.651 nan 8.230 nan 0.000 0.413 110 D N 2.729 123.053 120.400 -0.128 0.000 2.339 110 D HA 0.127 4.767 4.640 -0.001 0.000 0.256 110 D C 0.545 176.746 176.300 -0.165 0.000 1.214 110 D CA 0.082 54.005 54.000 -0.128 0.000 0.877 110 D CB 1.359 42.095 40.800 -0.107 0.000 1.111 110 D HN 0.355 nan 8.370 nan 0.000 0.478 111 V N 1.816 121.596 119.914 -0.223 0.000 3.176 111 V HA 0.386 4.505 4.120 -0.001 0.000 0.332 111 V C 1.695 177.423 176.094 -0.610 0.000 1.414 111 V CA 0.323 62.427 62.300 -0.327 0.000 1.133 111 V CB 0.389 32.051 31.823 -0.268 0.000 1.088 111 V HN 0.477 nan 8.190 nan 0.000 0.473 112 G N 0.553 109.033 108.800 -0.533 0.000 2.450 112 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.220 112 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.220 112 G C 1.068 175.449 174.900 -0.866 0.000 1.130 112 G CA 1.202 45.879 45.100 -0.704 0.000 0.760 112 G HN 0.506 nan 8.290 nan 0.000 0.557 113 D N 0.731 120.793 120.400 -0.563 0.000 2.309 113 D HA 0.000 4.640 4.640 -0.001 0.000 0.212 113 D C 2.671 178.679 176.300 -0.487 0.000 0.968 113 D CA 0.867 54.596 54.000 -0.452 0.000 0.882 113 D CB -0.071 40.648 40.800 -0.134 0.000 0.918 113 D HN 0.344 nan 8.370 nan 0.000 0.503 114 A N 0.400 122.831 122.820 -0.648 0.000 1.898 114 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 114 A C 1.743 178.951 177.584 -0.626 0.000 1.181 114 A CA 0.880 52.559 52.037 -0.597 0.000 0.620 114 A CB -0.937 17.561 19.000 -0.837 0.000 0.819 114 A HN 0.170 nan 8.150 nan 0.000 0.442 115 Y N -0.556 119.285 120.300 -0.765 0.000 2.298 115 Y HA -0.204 4.346 4.550 -0.001 0.000 0.287 115 Y C 1.771 177.581 175.900 -0.149 0.000 1.164 115 Y CA 0.414 58.184 58.100 -0.550 0.000 1.229 115 Y CB -1.237 36.924 38.460 -0.499 0.000 0.977 115 Y HN 0.356 nan 8.280 nan 0.000 0.538 116 F N -0.991 119.026 119.950 0.112 0.000 2.771 116 F HA -0.049 4.478 4.527 -0.001 0.000 0.299 116 F C 2.105 177.990 175.800 0.141 0.000 1.177 116 F CA 0.243 58.330 58.000 0.146 0.000 1.450 116 F CB -0.971 38.102 39.000 0.122 0.000 1.114 116 F HN -0.074 nan 8.300 nan 0.000 0.587 117 S N -0.827 115.045 115.700 0.287 0.000 2.387 117 S HA 0.055 4.525 4.470 -0.001 0.000 0.221 117 S C 0.872 175.629 174.600 0.262 0.000 1.041 117 S CA 0.093 58.449 58.200 0.261 0.000 0.959 117 S CB -0.042 63.324 63.200 0.276 0.000 0.843 117 S HN -0.045 nan 8.310 nan 0.000 0.488 118 V N 5.706 125.796 119.914 0.293 0.000 2.470 118 V HA 0.201 4.320 4.120 -0.001 0.000 0.276 118 V C -2.112 174.125 176.094 0.237 0.000 1.040 118 V CA -1.823 60.639 62.300 0.271 0.000 1.008 118 V CB 0.240 32.259 31.823 0.326 0.000 0.990 118 V HN 0.254 nan 8.190 nan 0.000 0.477 119 P HA 0.166 nan 4.420 nan 0.000 0.272 119 P C -0.685 176.724 177.300 0.180 0.000 1.223 119 P CA -0.464 62.745 63.100 0.181 0.000 0.784 119 P CB 1.302 33.087 31.700 0.142 0.000 0.923 120 L N 2.373 123.710 121.223 0.191 0.000 2.307 120 L HA 0.344 4.684 4.340 -0.001 0.000 0.282 120 L C 0.119 177.088 176.870 0.164 0.000 1.051 120 L CA -0.478 54.476 54.840 0.191 0.000 0.804 120 L CB 0.279 42.473 42.059 0.225 0.000 1.197 120 L HN 0.284 nan 8.230 nan 0.000 0.431 121 D N 2.514 123.007 120.400 0.155 0.000 2.581 121 D HA -0.096 4.543 4.640 -0.001 0.000 0.238 121 D C 0.908 177.300 176.300 0.153 0.000 1.145 121 D CA 0.508 54.594 54.000 0.143 0.000 0.866 121 D CB 0.906 41.790 40.800 0.140 0.000 1.151 121 D HN 0.643 nan 8.370 nan 0.000 0.500 122 E N 2.489 122.753 120.200 0.107 0.000 2.108 122 E HA -0.210 4.139 4.350 -0.001 0.000 0.203 122 E C 1.098 177.730 176.600 0.054 0.000 1.022 122 E CA 1.693 58.138 56.400 0.074 0.000 0.823 122 E CB -0.037 29.695 29.700 0.054 0.000 0.744 122 E HN 0.591 nan 8.360 nan 0.000 0.456 123 D N -1.277 119.167 120.400 0.072 0.000 2.363 123 D HA -0.054 4.586 4.640 -0.001 0.000 0.226 123 D C 1.085 177.406 176.300 0.034 0.000 1.020 123 D CA 0.332 54.356 54.000 0.040 0.000 0.892 123 D CB -0.005 40.837 40.800 0.069 0.000 0.900 123 D HN 0.183 nan 8.370 nan 0.000 0.531 124 F N 1.059 120.979 119.950 -0.052 0.000 2.653 124 F HA 0.147 4.674 4.527 -0.001 0.000 0.288 124 F C 2.082 177.797 175.800 -0.141 0.000 1.121 124 F CA -0.104 57.869 58.000 -0.044 0.000 1.384 124 F CB 0.355 39.371 39.000 0.026 0.000 1.115 124 F HN -0.301 nan 8.300 nan 0.000 0.599 125 R N 1.375 121.859 120.500 -0.027 0.000 2.134 125 R HA -0.289 4.050 4.340 -0.001 0.000 0.248 125 R C 2.196 178.390 176.300 -0.176 0.000 1.143 125 R CA 2.420 58.496 56.100 -0.040 0.000 0.957 125 R CB -0.850 29.467 30.300 0.028 0.000 0.867 125 R HN 0.410 nan 8.270 nan 0.000 0.441 126 K N 0.018 120.229 120.400 -0.315 0.000 2.089 126 K HA -0.222 4.098 4.320 -0.001 0.000 0.210 126 K C 1.523 177.958 176.600 -0.275 0.000 1.048 126 K CA 2.052 58.164 56.287 -0.293 0.000 0.926 126 K CB -0.584 31.690 32.500 -0.378 0.000 0.714 126 K HN 0.226 nan 8.250 nan 0.000 0.448 127 Y N 2.261 122.276 120.300 -0.476 0.000 2.571 127 Y HA -0.046 4.504 4.550 -0.001 0.000 0.294 127 Y C 2.140 177.838 175.900 -0.338 0.000 1.141 127 Y CA 1.123 58.828 58.100 -0.657 0.000 1.308 127 Y CB -0.598 37.193 38.460 -1.114 0.000 1.002 127 Y HN 0.378 nan 8.280 nan 0.000 0.551 128 T N -2.511 112.018 114.554 -0.042 0.000 3.163 128 T HA 0.529 4.879 4.350 -0.001 0.000 0.252 128 T C 0.788 175.757 174.700 0.447 0.000 1.056 128 T CA -0.052 62.201 62.100 0.256 0.000 0.947 128 T CB -0.609 68.406 68.868 0.245 0.000 1.016 128 T HN 0.192 nan 8.240 nan 0.000 0.554 129 A N 1.782 124.767 122.820 0.274 0.000 2.498 129 A HA 0.567 4.887 4.320 -0.001 0.000 0.239 129 A C -0.077 177.692 177.584 0.309 0.000 1.068 129 A CA -0.471 51.697 52.037 0.218 0.000 0.766 129 A CB -0.404 18.667 19.000 0.119 0.000 1.003 129 A HN 0.814 nan 8.150 nan 0.000 0.497 130 F N -0.848 119.166 119.950 0.107 0.000 2.685 130 F HA 0.817 5.344 4.527 -0.001 0.000 0.315 130 F C -0.413 175.410 175.800 0.038 0.000 1.126 130 F CA -0.813 57.216 58.000 0.048 0.000 0.950 130 F CB 1.324 40.348 39.000 0.040 0.000 1.360 130 F HN 0.376 nan 8.300 nan 0.000 0.469 131 T N 2.408 117.070 114.554 0.180 0.000 2.861 131 T HA 0.586 4.935 4.350 -0.001 0.000 0.287 131 T C -0.593 174.179 174.700 0.120 0.000 1.003 131 T CA -0.457 61.671 62.100 0.047 0.000 0.977 131 T CB 1.657 70.506 68.868 -0.031 0.000 0.996 131 T HN 0.592 nan 8.240 nan 0.000 0.448 132 I N 5.313 125.936 120.570 0.089 0.000 2.306 132 I HA 0.280 4.450 4.170 -0.001 0.000 0.288 132 I C -1.910 174.206 176.117 -0.001 0.000 1.036 132 I CA -2.293 59.053 61.300 0.075 0.000 1.221 132 I CB 1.284 39.358 38.000 0.125 0.000 1.385 132 I HN 0.317 nan 8.210 nan 0.000 0.472 133 P HA 0.153 nan 4.420 nan 0.000 0.275 133 P C -0.594 176.681 177.300 -0.041 0.000 1.266 133 P CA -0.270 62.804 63.100 -0.042 0.000 0.793 133 P CB 1.151 32.823 31.700 -0.047 0.000 1.074 134 S N -0.804 114.870 115.700 -0.043 0.000 2.568 134 S HA 0.563 5.032 4.470 -0.001 0.000 0.293 134 S C 0.030 174.606 174.600 -0.039 0.000 1.089 134 S CA -0.969 57.206 58.200 -0.042 0.000 0.945 134 S CB 0.549 63.724 63.200 -0.042 0.000 1.077 134 S HN 0.272 nan 8.310 nan 0.000 0.485 135 I N 2.588 123.136 120.570 -0.037 0.000 2.588 135 I HA 0.171 4.340 4.170 -0.001 0.000 0.283 135 I C 1.105 177.205 176.117 -0.029 0.000 1.119 135 I CA 0.143 61.423 61.300 -0.033 0.000 1.419 135 I CB -0.146 37.835 38.000 -0.032 0.000 1.394 135 I HN 0.976 nan 8.210 nan 0.000 0.562 136 N N 4.783 123.468 118.700 -0.026 0.000 2.708 136 N HA -0.275 4.465 4.740 -0.001 0.000 0.251 136 N C -0.033 175.462 175.510 -0.025 0.000 1.123 136 N CA 1.067 54.103 53.050 -0.022 0.000 0.739 136 N CB -1.003 37.472 38.487 -0.019 0.000 1.113 136 N HN 0.812 nan 8.380 nan 0.000 0.561 137 N N -1.039 117.644 118.700 -0.029 0.000 2.716 137 N HA -0.250 4.490 4.740 -0.001 0.000 0.250 137 N C 0.911 176.401 175.510 -0.032 0.000 1.033 137 N CA 1.362 54.392 53.050 -0.033 0.000 0.727 137 N CB -1.083 37.385 38.487 -0.031 0.000 0.950 137 N HN 0.879 nan 8.380 nan 0.000 0.541 138 E N -1.538 118.643 120.200 -0.032 0.000 2.046 138 E HA -0.044 4.306 4.350 -0.001 0.000 0.190 138 E C 0.325 176.904 176.600 -0.035 0.000 0.982 138 E CA 0.712 57.094 56.400 -0.030 0.000 0.800 138 E CB 0.015 29.698 29.700 -0.028 0.000 0.756 138 E HN 0.131 nan 8.360 nan 0.000 0.449 139 T N 2.153 116.683 114.554 -0.040 0.000 2.895 139 T HA 0.372 4.722 4.350 -0.001 0.000 0.283 139 T C -2.579 172.090 174.700 -0.053 0.000 1.014 139 T CA -1.886 60.187 62.100 -0.046 0.000 1.037 139 T CB 1.764 70.605 68.868 -0.046 0.000 1.006 139 T HN -0.002 nan 8.240 nan 0.000 0.468 140 P HA 0.307 nan 4.420 nan 0.000 0.274 140 P C 0.179 177.431 177.300 -0.080 0.000 1.231 140 P CA -0.398 62.660 63.100 -0.070 0.000 0.790 140 P CB 0.294 31.949 31.700 -0.076 0.000 0.951 141 G N 1.798 110.549 108.800 -0.082 0.000 2.562 141 G HA2 0.159 4.119 3.960 -0.001 0.000 0.233 141 G HA3 0.159 4.119 3.960 -0.001 0.000 0.233 141 G C -0.163 174.663 174.900 -0.122 0.000 1.266 141 G CA -0.505 44.544 45.100 -0.086 0.000 0.852 141 G HN 0.447 nan 8.290 nan 0.000 0.581 142 I N 1.962 122.460 120.570 -0.121 0.000 2.337 142 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 142 I C 0.461 176.399 176.117 -0.298 0.000 1.046 142 I CA -0.329 60.839 61.300 -0.219 0.000 1.324 142 I CB 0.667 38.587 38.000 -0.133 0.000 1.409 142 I HN 0.200 nan 8.210 nan 0.000 0.494 143 R N 6.425 126.659 120.500 -0.444 0.000 2.393 143 R HA 0.610 4.950 4.340 -0.001 0.000 0.310 143 R C -1.297 174.609 176.300 -0.656 0.000 0.968 143 R CA -0.748 55.091 56.100 -0.436 0.000 0.867 143 R CB 1.799 31.925 30.300 -0.290 0.000 1.124 143 R HN 0.464 nan 8.270 nan 0.000 0.450 144 Y N -0.082 119.833 120.300 -0.642 0.000 2.677 144 Y HA 0.301 4.851 4.550 -0.001 0.000 0.334 144 Y C 0.176 175.755 175.900 -0.535 0.000 1.154 144 Y CA -0.928 56.794 58.100 -0.630 0.000 1.070 144 Y CB 2.054 40.007 38.460 -0.844 0.000 1.294 144 Y HN 0.476 nan 8.280 nan 0.000 0.475 145 Q N -0.624 119.129 119.800 -0.077 0.000 2.553 145 Q HA 0.543 4.882 4.340 -0.001 0.000 0.293 145 Q C -2.178 173.883 176.000 0.102 0.000 1.038 145 Q CA -1.138 54.714 55.803 0.082 0.000 0.777 145 Q CB 2.253 31.022 28.738 0.051 0.000 1.487 145 Q HN 0.628 nan 8.270 nan 0.000 0.426 146 Y N 0.583 120.996 120.300 0.189 0.000 2.320 146 Y HA 0.295 4.845 4.550 -0.001 0.000 0.324 146 Y C 0.443 176.417 175.900 0.123 0.000 1.190 146 Y CA 0.075 58.283 58.100 0.181 0.000 1.215 146 Y CB 1.650 40.245 38.460 0.224 0.000 1.221 146 Y HN 0.777 nan 8.280 nan 0.000 0.486 147 N N 0.085 118.923 118.700 0.231 0.000 2.273 147 N HA 0.131 4.871 4.740 -0.001 0.000 0.192 147 N C -0.891 174.758 175.510 0.231 0.000 1.132 147 N CA 0.042 53.197 53.050 0.177 0.000 0.887 147 N CB 1.013 39.561 38.487 0.102 0.000 1.048 147 N HN 0.321 nan 8.380 nan 0.000 0.490 148 V N -1.478 118.638 119.914 0.337 0.000 3.046 148 V HA 0.491 4.611 4.120 -0.001 0.000 0.316 148 V C -0.076 176.268 176.094 0.418 0.000 1.104 148 V CA -1.336 61.184 62.300 0.366 0.000 1.006 148 V CB 1.427 33.490 31.823 0.400 0.000 1.058 148 V HN -0.060 nan 8.190 nan 0.000 0.440 149 L N 3.781 125.207 121.223 0.339 0.000 2.628 149 L HA 0.232 4.572 4.340 -0.001 0.000 0.274 149 L C -1.987 175.042 176.870 0.266 0.000 1.209 149 L CA -0.757 54.234 54.840 0.252 0.000 0.930 149 L CB 0.160 42.288 42.059 0.114 0.000 1.183 149 L HN 0.566 nan 8.230 nan 0.000 0.492 150 P HA 0.166 nan 4.420 nan 0.000 0.286 150 P C -1.146 176.204 177.300 0.084 0.000 1.261 150 P CA -0.720 62.263 63.100 -0.195 0.000 0.821 150 P CB 0.975 32.177 31.700 -0.829 0.000 1.013 151 Q N 0.607 120.557 119.800 0.249 0.000 2.364 151 Q HA 0.381 4.720 4.340 -0.001 0.000 0.267 151 Q C 1.207 177.416 176.000 0.347 0.000 0.999 151 Q CA 0.846 56.810 55.803 0.269 0.000 0.886 151 Q CB 0.101 28.984 28.738 0.241 0.000 1.243 151 Q HN 0.881 nan 8.270 nan 0.000 0.415 152 G N 1.672 110.657 108.800 0.309 0.000 2.234 152 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.235 152 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.235 152 G C -0.715 174.431 174.900 0.409 0.000 0.997 152 G CA -0.144 45.205 45.100 0.416 0.000 0.623 152 G HN 0.658 nan 8.290 nan 0.000 0.514 153 W N 2.917 124.158 121.300 -0.098 0.000 2.331 153 W HA 0.734 5.393 4.660 -0.001 0.000 0.306 153 W C 1.046 177.343 176.519 -0.370 0.000 1.162 153 W CA -1.008 56.096 57.345 -0.402 0.000 1.232 153 W CB 0.744 29.727 29.460 -0.795 0.000 1.235 153 W HN 0.032 nan 8.180 nan 0.000 0.479 154 K N 3.164 123.105 120.400 -0.766 0.000 2.442 154 K HA -0.091 4.229 4.320 -0.001 0.000 0.198 154 K C 1.990 177.883 176.600 -1.178 0.000 1.044 154 K CA 1.221 56.904 56.287 -1.007 0.000 0.948 154 K CB -0.043 31.573 32.500 -1.473 0.000 0.762 154 K HN 0.761 nan 8.250 nan 0.000 0.472 155 G N 0.347 107.852 108.800 -2.158 0.000 2.421 155 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.217 155 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.217 155 G C 1.421 175.480 174.900 -1.402 0.000 1.143 155 G CA 0.389 44.105 45.100 -2.307 0.000 0.784 155 G HN 0.166 nan 8.290 nan 0.000 0.541 156 S N 1.880 116.910 115.700 -1.116 0.000 2.353 156 S HA -0.092 4.377 4.470 -0.001 0.000 0.222 156 S C 0.066 174.170 174.600 -0.827 0.000 1.035 156 S CA 1.648 59.347 58.200 -0.835 0.000 1.025 156 S CB -0.982 61.586 63.200 -1.052 0.000 0.902 156 S HN 0.312 nan 8.310 nan 0.000 0.440 157 P HA 0.052 nan 4.420 nan 0.000 0.217 157 P C 1.409 178.599 177.300 -0.184 0.000 1.150 157 P CA 1.303 64.219 63.100 -0.305 0.000 0.832 157 P CB -0.134 31.418 31.700 -0.247 0.000 0.787 158 A N -0.544 122.105 122.820 -0.286 0.000 1.902 158 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 158 A C 2.201 179.701 177.584 -0.140 0.000 1.181 158 A CA 1.534 53.458 52.037 -0.190 0.000 0.623 158 A CB -1.597 17.267 19.000 -0.226 0.000 0.818 158 A HN 0.126 nan 8.150 nan 0.000 0.443 159 I N -2.574 117.891 120.570 -0.174 0.000 2.406 159 I HA -0.113 4.056 4.170 -0.001 0.000 0.249 159 I C 2.098 178.230 176.117 0.026 0.000 1.122 159 I CA 0.931 62.186 61.300 -0.075 0.000 1.431 159 I CB -0.142 37.814 38.000 -0.074 0.000 1.087 159 I HN 0.364 nan 8.210 nan 0.000 0.424 160 F N 1.652 121.529 119.950 -0.121 0.000 2.748 160 F HA -0.069 4.458 4.527 -0.001 0.000 0.299 160 F C 2.298 178.080 175.800 -0.029 0.000 1.154 160 F CA 0.757 58.742 58.000 -0.024 0.000 1.446 160 F CB -0.271 38.788 39.000 0.098 0.000 1.112 160 F HN 0.064 nan 8.300 nan 0.000 0.584 161 Q N -0.020 119.770 119.800 -0.016 0.000 2.047 161 Q HA -0.312 4.027 4.340 -0.001 0.000 0.211 161 Q C 2.552 178.450 176.000 -0.169 0.000 1.005 161 Q CA 2.790 58.552 55.803 -0.068 0.000 0.866 161 Q CB -0.646 28.064 28.738 -0.046 0.000 0.938 161 Q HN 0.544 nan 8.270 nan 0.000 0.414 162 S N 0.358 115.958 115.700 -0.166 0.000 2.378 162 S HA -0.240 4.229 4.470 -0.001 0.000 0.229 162 S C 2.110 176.540 174.600 -0.283 0.000 1.052 162 S CA 1.891 59.987 58.200 -0.174 0.000 1.084 162 S CB -0.631 62.495 63.200 -0.125 0.000 0.950 162 S HN 0.229 nan 8.310 nan 0.000 0.440 163 S N 1.238 116.644 115.700 -0.490 0.000 2.406 163 S HA 0.123 4.593 4.470 -0.001 0.000 0.228 163 S C 1.779 175.925 174.600 -0.756 0.000 1.020 163 S CA 1.220 59.006 58.200 -0.690 0.000 0.965 163 S CB -0.424 62.163 63.200 -1.022 0.000 0.798 163 S HN 0.491 nan 8.310 nan 0.000 0.488 164 M N 2.502 121.704 119.600 -0.664 0.000 2.132 164 M HA -0.091 4.389 4.480 -0.001 0.000 0.263 164 M C 2.217 178.352 176.300 -0.275 0.000 1.065 164 M CA 1.831 56.919 55.300 -0.353 0.000 1.122 164 M CB -1.242 31.310 32.600 -0.080 0.000 1.365 164 M HN 0.422 nan 8.290 nan 0.000 0.411 165 T N -2.080 112.342 114.554 -0.219 0.000 2.788 165 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 165 T C 1.824 176.423 174.700 -0.169 0.000 1.044 165 T CA 1.575 63.587 62.100 -0.147 0.000 1.139 165 T CB -0.499 68.312 68.868 -0.096 0.000 0.867 165 T HN 0.451 nan 8.240 nan 0.000 0.454 166 K N 0.995 121.253 120.400 -0.237 0.000 2.002 166 K HA 0.100 4.420 4.320 -0.001 0.000 0.209 166 K C 2.324 178.751 176.600 -0.288 0.000 1.048 166 K CA 1.572 57.733 56.287 -0.209 0.000 0.930 166 K CB -0.471 31.904 32.500 -0.208 0.000 0.714 166 K HN 0.349 nan 8.250 nan 0.000 0.438 167 I N 1.254 121.460 120.570 -0.608 0.000 2.194 167 I HA -0.299 3.870 4.170 -0.001 0.000 0.246 167 I C 1.977 177.928 176.117 -0.276 0.000 1.093 167 I CA 1.438 62.299 61.300 -0.730 0.000 1.355 167 I CB -0.293 37.135 38.000 -0.953 0.000 1.046 167 I HN 0.129 nan 8.210 nan 0.000 0.413 168 L N -0.105 120.991 121.223 -0.211 0.000 2.558 168 L HA -0.010 4.330 4.340 -0.001 0.000 0.225 168 L C 2.282 179.130 176.870 -0.036 0.000 1.128 168 L CA 0.219 54.992 54.840 -0.112 0.000 0.868 168 L CB -0.438 41.571 42.059 -0.083 0.000 1.006 168 L HN 0.225 nan 8.230 nan 0.000 0.454 169 E N 1.324 121.501 120.200 -0.037 0.000 2.049 169 E HA -0.236 4.114 4.350 -0.001 0.000 0.198 169 E C -0.577 176.035 176.600 0.020 0.000 1.007 169 E CA 1.932 58.330 56.400 -0.003 0.000 0.809 169 E CB -0.522 29.180 29.700 0.003 0.000 0.749 169 E HN 0.290 nan 8.360 nan 0.000 0.450 170 P HA -0.143 nan 4.420 nan 0.000 0.215 170 P C 1.076 178.390 177.300 0.023 0.000 1.157 170 P CA 1.071 64.221 63.100 0.083 0.000 0.868 170 P CB -0.175 31.653 31.700 0.213 0.000 0.788 171 F N 0.449 120.250 119.950 -0.250 0.000 2.171 171 F HA -0.151 4.375 4.527 -0.001 0.000 0.300 171 F C 2.224 177.939 175.800 -0.143 0.000 1.090 171 F CA 1.388 59.205 58.000 -0.307 0.000 1.293 171 F CB -0.179 38.488 39.000 -0.555 0.000 1.013 171 F HN -0.279 nan 8.300 nan 0.000 0.486 172 R N 0.652 121.146 120.500 -0.009 0.000 2.062 172 R HA -0.122 4.217 4.340 -0.001 0.000 0.231 172 R C 2.181 178.423 176.300 -0.098 0.000 1.136 172 R CA 1.609 57.686 56.100 -0.038 0.000 0.948 172 R CB -0.640 29.666 30.300 0.011 0.000 0.845 172 R HN 0.316 nan 8.270 nan 0.000 0.430 173 K N 0.628 120.988 120.400 -0.068 0.000 2.209 173 K HA -0.175 4.144 4.320 -0.001 0.000 0.204 173 K C 2.157 178.701 176.600 -0.093 0.000 1.048 173 K CA 1.218 57.469 56.287 -0.060 0.000 0.940 173 K CB -0.047 32.438 32.500 -0.025 0.000 0.729 173 K HN 0.241 nan 8.250 nan 0.000 0.451 174 Q N 0.437 120.148 119.800 -0.147 0.000 2.187 174 Q HA -0.040 4.300 4.340 -0.001 0.000 0.199 174 Q C -0.311 175.542 176.000 -0.246 0.000 0.957 174 Q CA 0.939 56.637 55.803 -0.176 0.000 0.857 174 Q CB 0.342 28.968 28.738 -0.185 0.000 0.929 174 Q HN 0.276 nan 8.270 nan 0.000 0.453 175 N N -0.112 118.380 118.700 -0.346 0.000 2.733 175 N HA 0.109 4.849 4.740 -0.001 0.000 0.271 175 N C -2.396 172.996 175.510 -0.196 0.000 1.720 175 N CA -0.821 52.038 53.050 -0.318 0.000 0.803 175 N CB 1.375 39.537 38.487 -0.542 0.000 1.208 175 N HN 0.017 nan 8.380 nan 0.000 0.498 176 P HA -0.067 nan 4.420 nan 0.000 0.234 176 P C -0.112 177.161 177.300 -0.045 0.000 1.167 176 P CA 0.978 64.037 63.100 -0.069 0.000 0.763 176 P CB 0.529 32.197 31.700 -0.053 0.000 0.835 177 D N -0.421 119.950 120.400 -0.048 0.000 2.348 177 D HA 0.121 4.761 4.640 -0.001 0.000 0.211 177 D C 1.043 177.341 176.300 -0.004 0.000 0.998 177 D CA 0.182 54.168 54.000 -0.024 0.000 0.873 177 D CB 0.082 40.868 40.800 -0.023 0.000 0.925 177 D HN 0.265 nan 8.370 nan 0.000 0.524 178 I N 1.297 121.865 120.570 -0.002 0.000 2.474 178 I HA 0.059 4.229 4.170 -0.001 0.000 0.287 178 I C 0.090 176.249 176.117 0.070 0.000 1.048 178 I CA -0.484 60.849 61.300 0.056 0.000 1.383 178 I CB 1.620 39.678 38.000 0.098 0.000 1.412 178 I HN -0.366 nan 8.210 nan 0.000 0.531 179 V N 7.074 127.038 119.914 0.083 0.000 2.427 179 V HA 0.380 4.500 4.120 -0.001 0.000 0.286 179 V C 0.148 176.319 176.094 0.128 0.000 1.034 179 V CA -0.514 61.832 62.300 0.076 0.000 0.893 179 V CB 1.631 33.472 31.823 0.031 0.000 0.982 179 V HN 0.396 nan 8.190 nan 0.000 0.452 180 I N 5.269 125.920 120.570 0.136 0.000 2.410 180 I HA 0.390 4.560 4.170 -0.001 0.000 0.286 180 I C -1.105 175.152 176.117 0.234 0.000 1.009 180 I CA -0.554 60.844 61.300 0.164 0.000 1.111 180 I CB 1.554 39.623 38.000 0.115 0.000 1.262 180 I HN 0.657 nan 8.210 nan 0.000 0.443 181 Y N 6.195 126.584 120.300 0.149 0.000 2.376 181 Y HA 0.417 4.966 4.550 -0.001 0.000 0.340 181 Y C -0.314 175.755 175.900 0.282 0.000 0.965 181 Y CA -0.830 57.373 58.100 0.173 0.000 1.078 181 Y CB 1.666 40.202 38.460 0.127 0.000 1.193 181 Y HN 0.620 nan 8.280 nan 0.000 0.452 182 Q N 5.788 125.383 119.800 -0.341 0.000 2.307 182 Q HA 0.362 4.702 4.340 -0.001 0.000 0.262 182 Q C -2.264 173.424 176.000 -0.520 0.000 0.961 182 Q CA -0.788 54.865 55.803 -0.251 0.000 0.882 182 Q CB 1.176 29.868 28.738 -0.078 0.000 1.264 182 Q HN 0.771 nan 8.270 nan 0.000 0.446 183 Y N 6.506 126.646 120.300 -0.267 0.000 2.322 183 Y HA 0.316 4.866 4.550 -0.001 0.000 0.324 183 Y C 0.049 175.996 175.900 0.078 0.000 1.027 183 Y CA -0.436 57.572 58.100 -0.154 0.000 1.179 183 Y CB 0.725 39.136 38.460 -0.082 0.000 1.136 183 Y HN 0.990 nan 8.280 nan 0.000 0.449 184 M N 1.473 120.782 119.600 -0.486 0.000 7.319 184 M HA -0.414 4.065 4.480 -0.001 0.000 0.321 184 M C 0.169 176.523 176.300 0.090 0.000 0.480 184 M CA 2.176 57.341 55.300 -0.225 0.000 1.311 184 M CB -0.902 31.614 32.600 -0.139 0.000 0.421 184 M HN 0.642 nan 8.290 nan 0.000 0.817 185 D N 1.180 121.688 120.400 0.179 0.000 2.349 185 D HA 0.132 4.771 4.640 -0.001 0.000 0.224 185 D C -0.191 176.123 176.300 0.023 0.000 1.029 185 D CA 0.769 54.836 54.000 0.112 0.000 0.879 185 D CB -0.148 40.699 40.800 0.077 0.000 0.906 185 D HN 0.319 nan 8.370 nan 0.000 0.528 186 D N 0.068 120.540 120.400 0.120 0.000 2.350 186 D HA 0.373 5.013 4.640 -0.001 0.000 0.238 186 D C -0.014 176.308 176.300 0.037 0.000 0.989 186 D CA -0.531 53.492 54.000 0.038 0.000 0.921 186 D CB 2.368 43.190 40.800 0.036 0.000 1.297 186 D HN -0.093 nan 8.370 nan 0.000 0.490 187 L N 1.297 122.463 121.223 -0.096 0.000 2.341 187 L HA 0.360 4.699 4.340 -0.001 0.000 0.278 187 L C -1.189 175.594 176.870 -0.145 0.000 1.005 187 L CA -0.830 53.993 54.840 -0.029 0.000 0.818 187 L CB 1.265 43.290 42.059 -0.058 0.000 1.259 187 L HN 0.281 nan 8.230 nan 0.000 0.418 188 Y N 2.665 123.029 120.300 0.107 0.000 2.331 188 Y HA 0.479 5.028 4.550 -0.001 0.000 0.338 188 Y C -0.167 175.807 175.900 0.123 0.000 0.976 188 Y CA -0.790 57.398 58.100 0.146 0.000 1.137 188 Y CB 1.904 40.510 38.460 0.243 0.000 1.172 188 Y HN 0.117 nan 8.280 nan 0.000 0.478 189 V N 3.235 123.256 119.914 0.179 0.000 2.407 189 V HA 0.730 4.849 4.120 -0.001 0.000 0.291 189 V C 0.122 176.349 176.094 0.221 0.000 1.018 189 V CA -0.764 61.633 62.300 0.161 0.000 0.842 189 V CB 1.413 33.277 31.823 0.069 0.000 0.996 189 V HN 0.918 nan 8.190 nan 0.000 0.426 190 G N 2.771 111.688 108.800 0.194 0.000 2.495 190 G HA2 0.763 4.723 3.960 -0.001 0.000 0.318 190 G HA3 0.763 4.723 3.960 -0.001 0.000 0.318 190 G C -0.524 174.475 174.900 0.165 0.000 1.257 190 G CA -0.242 44.956 45.100 0.164 0.000 0.962 190 G HN 0.936 nan 8.290 nan 0.000 0.483 191 S N -0.080 115.724 115.700 0.173 0.000 2.651 191 S HA 0.519 4.989 4.470 -0.001 0.000 0.279 191 S C -0.689 173.946 174.600 0.058 0.000 1.148 191 S CA -0.788 57.502 58.200 0.150 0.000 0.837 191 S CB 2.442 65.810 63.200 0.280 0.000 1.138 191 S HN 0.326 nan 8.310 nan 0.000 0.478 192 D N 0.628 121.053 120.400 0.041 0.000 2.363 192 D HA 0.289 4.928 4.640 -0.001 0.000 0.214 192 D C 0.463 176.776 176.300 0.021 0.000 1.093 192 D CA 0.036 54.040 54.000 0.006 0.000 0.837 192 D CB 0.086 40.883 40.800 -0.005 0.000 0.948 192 D HN 0.436 nan 8.370 nan 0.000 0.507 193 L N 1.168 122.430 121.223 0.064 0.000 2.479 193 L HA 0.018 4.357 4.340 -0.001 0.000 0.270 193 L C 1.051 177.960 176.870 0.064 0.000 1.236 193 L CA -0.254 54.631 54.840 0.075 0.000 0.823 193 L CB 0.217 42.349 42.059 0.122 0.000 1.098 193 L HN -0.085 nan 8.230 nan 0.000 0.500 194 E N 0.941 121.174 120.200 0.056 0.000 2.415 194 E HA -0.081 4.268 4.350 -0.001 0.000 0.262 194 E C 0.686 177.336 176.600 0.084 0.000 1.038 194 E CA -0.109 56.318 56.400 0.046 0.000 0.921 194 E CB 0.603 30.324 29.700 0.035 0.000 0.950 194 E HN 0.398 nan 8.360 nan 0.000 0.438 195 I N 4.044 124.654 120.570 0.068 0.000 2.300 195 I HA -0.153 4.017 4.170 -0.001 0.000 0.252 195 I C 1.631 177.829 176.117 0.134 0.000 1.119 195 I CA 2.377 63.742 61.300 0.109 0.000 1.384 195 I CB -0.758 37.286 38.000 0.073 0.000 1.062 195 I HN 0.759 nan 8.210 nan 0.000 0.426 196 G N -0.986 107.867 108.800 0.089 0.000 2.414 196 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.215 196 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.215 196 G C 1.497 176.446 174.900 0.081 0.000 1.188 196 G CA 0.732 45.876 45.100 0.074 0.000 0.783 196 G HN 0.424 nan 8.290 nan 0.000 0.537 197 Q N -0.581 119.269 119.800 0.083 0.000 2.084 197 Q HA -0.043 4.297 4.340 -0.001 0.000 0.202 197 Q C 2.153 178.209 176.000 0.093 0.000 0.978 197 Q CA 1.560 57.408 55.803 0.076 0.000 0.844 197 Q CB -0.456 28.322 28.738 0.067 0.000 0.898 197 Q HN 0.754 nan 8.270 nan 0.000 0.426 198 H N 0.644 119.746 119.070 0.052 0.000 2.251 198 H HA -0.078 4.477 4.556 -0.001 0.000 0.294 198 H C 1.833 177.201 175.328 0.066 0.000 1.078 198 H CA 2.044 58.129 56.048 0.063 0.000 1.246 198 H CB 0.143 29.941 29.762 0.060 0.000 1.358 198 H HN 0.061 nan 8.280 nan 0.000 0.488 199 R N -0.847 119.706 120.500 0.089 0.000 2.105 199 R HA -0.121 4.218 4.340 -0.001 0.000 0.239 199 R C 2.384 178.679 176.300 -0.008 0.000 1.135 199 R CA 1.802 57.919 56.100 0.028 0.000 0.967 199 R CB -0.358 29.992 30.300 0.083 0.000 0.861 199 R HN 0.395 nan 8.270 nan 0.000 0.442 200 T N 0.988 115.554 114.554 0.019 0.000 2.746 200 T HA -0.090 4.260 4.350 -0.001 0.000 0.267 200 T C 1.664 176.388 174.700 0.040 0.000 1.039 200 T CA 1.002 63.120 62.100 0.030 0.000 1.142 200 T CB 0.010 68.903 68.868 0.042 0.000 0.866 200 T HN 0.097 nan 8.240 nan 0.000 0.444 201 K N 0.925 121.344 120.400 0.032 0.000 2.097 201 K HA 0.038 4.358 4.320 -0.001 0.000 0.206 201 K C 2.191 178.841 176.600 0.082 0.000 1.049 201 K CA 0.717 57.081 56.287 0.129 0.000 0.933 201 K CB -0.513 32.065 32.500 0.131 0.000 0.717 201 K HN 0.320 nan 8.250 nan 0.000 0.442 202 I N 1.226 121.737 120.570 -0.099 0.000 2.179 202 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 202 I C 2.395 178.457 176.117 -0.092 0.000 1.088 202 I CA 1.255 62.466 61.300 -0.149 0.000 1.357 202 I CB -1.123 36.773 38.000 -0.175 0.000 1.051 202 I HN 0.174 nan 8.210 nan 0.000 0.409 203 E N 1.664 121.841 120.200 -0.038 0.000 2.070 203 E HA -0.246 4.104 4.350 -0.001 0.000 0.197 203 E C 2.038 178.644 176.600 0.011 0.000 1.004 203 E CA 1.777 58.170 56.400 -0.012 0.000 0.805 203 E CB -0.179 29.525 29.700 0.007 0.000 0.744 203 E HN 0.513 nan 8.360 nan 0.000 0.451 204 E N -0.323 119.916 120.200 0.066 0.000 2.077 204 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 204 E C 2.161 178.855 176.600 0.157 0.000 0.989 204 E CA 1.091 57.585 56.400 0.156 0.000 0.800 204 E CB -0.294 29.592 29.700 0.309 0.000 0.746 204 E HN 0.232 nan 8.360 nan 0.000 0.452 205 L N 1.623 122.770 121.223 -0.127 0.000 2.083 205 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 205 L C 2.166 178.941 176.870 -0.157 0.000 1.083 205 L CA 1.623 56.182 54.840 -0.468 0.000 0.752 205 L CB -0.164 41.373 42.059 -0.869 0.000 0.899 205 L HN -0.054 nan 8.230 nan 0.000 0.433 206 R N -1.165 119.278 120.500 -0.094 0.000 2.115 206 R HA -0.128 4.212 4.340 -0.001 0.000 0.230 206 R C 2.132 178.436 176.300 0.006 0.000 1.111 206 R CA 1.096 57.167 56.100 -0.047 0.000 0.976 206 R CB -0.386 29.887 30.300 -0.045 0.000 0.870 206 R HN 0.473 nan 8.270 nan 0.000 0.445 207 Q N 0.026 119.837 119.800 0.019 0.000 2.084 207 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 207 Q C 2.060 178.077 176.000 0.028 0.000 0.978 207 Q CA 1.403 57.209 55.803 0.004 0.000 0.844 207 Q CB -0.416 28.300 28.738 -0.036 0.000 0.898 207 Q HN 0.578 nan 8.270 nan 0.000 0.426 208 H N 0.445 119.539 119.070 0.039 0.000 2.290 208 H HA -0.079 4.476 4.556 -0.001 0.000 0.298 208 H C 2.342 177.773 175.328 0.173 0.000 1.087 208 H CA 1.288 57.400 56.048 0.108 0.000 1.291 208 H CB -0.102 29.684 29.762 0.040 0.000 1.369 208 H HN 0.172 nan 8.280 nan 0.000 0.492 209 L N 0.202 121.539 121.223 0.189 0.000 2.046 209 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 209 L C 2.711 179.693 176.870 0.187 0.000 1.077 209 L CA 0.480 55.403 54.840 0.138 0.000 0.747 209 L CB -0.386 41.683 42.059 0.017 0.000 0.896 209 L HN 0.145 nan 8.230 nan 0.000 0.432 210 L N 0.061 121.356 121.223 0.121 0.000 2.042 210 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 210 L C 2.562 179.498 176.870 0.109 0.000 1.076 210 L CA 1.737 56.629 54.840 0.088 0.000 0.749 210 L CB -0.551 41.532 42.059 0.041 0.000 0.893 210 L HN 0.059 nan 8.230 nan 0.000 0.432 211 R N -1.453 119.128 120.500 0.135 0.000 2.241 211 R HA -0.149 4.191 4.340 -0.001 0.000 0.224 211 R C 1.002 177.279 176.300 -0.037 0.000 1.101 211 R CA 1.020 57.144 56.100 0.040 0.000 0.995 211 R CB -0.731 29.582 30.300 0.022 0.000 0.870 211 R HN 0.518 nan 8.270 nan 0.000 0.463 212 W N -0.797 120.526 121.300 0.038 0.000 3.194 212 W HA 0.355 5.014 4.660 -0.001 0.000 0.408 212 W C 1.112 177.665 176.519 0.056 0.000 1.072 212 W CA 0.318 57.697 57.345 0.057 0.000 1.953 212 W CB 0.154 29.662 29.460 0.080 0.000 1.091 212 W HN 0.234 nan 8.180 nan 0.000 0.699 213 G N 0.899 109.800 108.800 0.170 0.000 2.245 213 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.264 213 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.264 213 G C 0.240 175.200 174.900 0.099 0.000 0.985 213 G CA 0.451 45.620 45.100 0.115 0.000 0.625 213 G HN 0.370 nan 8.290 nan 0.000 0.536 214 L N -0.156 121.132 121.223 0.109 0.000 2.270 214 L HA 0.723 5.062 4.340 -0.001 0.000 0.286 214 L C 0.047 176.926 176.870 0.016 0.000 1.059 214 L CA -0.730 54.130 54.840 0.033 0.000 0.839 214 L CB 0.893 42.936 42.059 -0.026 0.000 1.221 214 L HN -0.060 nan 8.230 nan 0.000 0.431 215 T N 2.044 116.602 114.554 0.007 0.000 2.750 215 T HA 0.115 4.464 4.350 -0.001 0.000 0.286 215 T C 0.606 175.289 174.700 -0.028 0.000 0.911 215 T CA 0.181 62.279 62.100 -0.003 0.000 1.130 215 T CB -0.080 68.790 68.868 0.003 0.000 0.873 215 T HN 0.668 nan 8.240 nan 0.000 0.536 216 T N 7.195 121.727 114.554 -0.037 0.000 3.281 216 T HA 0.310 4.660 4.350 -0.001 0.000 0.359 216 T C -2.007 172.660 174.700 -0.056 0.000 1.459 216 T CA -1.234 60.829 62.100 -0.062 0.000 1.114 216 T CB 0.340 69.160 68.868 -0.080 0.000 1.162 216 T HN 0.345 nan 8.240 nan 0.000 0.665 231 G N -0.385 108.405 108.800 -0.017 0.000 2.794 231 G HA2 0.509 4.468 3.960 -0.001 0.000 0.249 231 G HA3 0.509 4.468 3.960 -0.001 0.000 0.249 231 G C 0.497 175.391 174.900 -0.011 0.000 1.236 231 G CA 0.506 45.589 45.100 -0.027 0.000 0.880 231 G HN 2.232 nan 8.290 nan 0.000 0.586 232 Y N -0.561 119.728 120.300 -0.018 0.000 2.805 232 Y HA 0.298 4.848 4.550 -0.001 0.000 0.331 232 Y C 0.756 176.656 175.900 -0.000 0.000 1.241 232 Y CA 0.539 58.639 58.100 0.001 0.000 1.546 232 Y CB -0.440 38.023 38.460 0.005 0.000 1.248 232 Y HN 0.644 nan 8.280 nan 0.000 0.559 233 E N 3.451 123.645 120.200 -0.009 0.000 2.113 233 E HA 0.519 4.868 4.350 -0.001 0.000 0.273 233 E C -1.476 174.981 176.600 -0.238 0.000 0.924 233 E CA -0.532 55.809 56.400 -0.099 0.000 0.764 233 E CB 1.494 31.157 29.700 -0.061 0.000 1.104 233 E HN 0.637 nan 8.360 nan 0.000 0.406 234 L N 2.935 123.983 121.223 -0.291 0.000 2.334 234 L HA 0.298 4.637 4.340 -0.001 0.000 0.275 234 L C -0.037 176.432 176.870 -0.669 0.000 1.036 234 L CA -0.502 54.192 54.840 -0.245 0.000 0.807 234 L CB 0.828 42.916 42.059 0.049 0.000 1.231 234 L HN 0.523 nan 8.230 nan 0.000 0.438 235 H N 2.882 121.850 119.070 -0.170 0.000 2.448 235 H HA 0.228 4.784 4.556 -0.001 0.000 0.237 235 H C -1.888 172.938 175.328 -0.838 0.000 1.391 235 H CA -1.388 54.455 56.048 -0.343 0.000 1.477 235 H CB 0.917 30.587 29.762 -0.153 0.000 1.520 235 H HN 0.412 nan 8.280 nan 0.000 0.502 236 P HA -0.140 nan 4.420 nan 0.000 0.223 236 P C 0.634 177.484 177.300 -0.750 0.000 1.144 236 P CA 0.937 62.981 63.100 -1.759 0.000 0.783 236 P CB 0.673 31.666 31.700 -1.177 0.000 0.771 237 D N 0.611 120.763 120.400 -0.413 0.000 2.097 237 D HA -0.086 4.553 4.640 -0.001 0.000 0.197 237 D C 1.609 177.859 176.300 -0.083 0.000 0.984 237 D CA 1.149 55.042 54.000 -0.179 0.000 0.826 237 D CB -0.360 40.367 40.800 -0.122 0.000 0.973 237 D HN 0.183 nan 8.370 nan 0.000 0.460 238 K N -0.142 120.217 120.400 -0.068 0.000 2.569 238 K HA -0.013 4.306 4.320 -0.001 0.000 0.193 238 K C -0.416 176.339 176.600 0.257 0.000 1.026 238 K CA -0.003 56.328 56.287 0.072 0.000 1.093 238 K CB 0.067 32.614 32.500 0.079 0.000 0.849 238 K HN 0.189 nan 8.250 nan 0.000 0.509 239 W N 2.425 123.755 121.300 0.050 0.000 2.332 239 W HA 0.142 4.802 4.660 -0.001 0.000 0.306 239 W C 0.324 176.867 176.519 0.039 0.000 1.149 239 W CA -0.899 56.477 57.345 0.052 0.000 1.271 239 W CB 0.494 29.977 29.460 0.039 0.000 1.243 239 W HN -0.083 nan 8.180 nan 0.000 0.459 240 T N -0.467 114.238 114.554 0.251 0.000 2.881 240 T HA 0.444 4.794 4.350 -0.001 0.000 0.291 240 T C -0.628 174.143 174.700 0.118 0.000 0.990 240 T CA -0.851 61.342 62.100 0.155 0.000 0.976 240 T CB 1.326 70.264 68.868 0.117 0.000 0.970 240 T HN 0.003 nan 8.240 nan 0.000 0.438 241 V N 4.678 124.654 119.914 0.105 0.000 2.509 241 V HA 0.052 4.172 4.120 -0.001 0.000 0.297 241 V C 1.063 177.204 176.094 0.079 0.000 1.014 241 V CA 0.018 62.367 62.300 0.081 0.000 1.127 241 V CB -0.365 31.519 31.823 0.101 0.000 0.925 241 V HN 1.026 nan 8.190 nan 0.000 0.480 242 Q N 8.559 128.392 119.800 0.055 0.000 2.296 242 Q HA 0.402 4.741 4.340 -0.001 0.000 0.262 242 Q C -2.201 173.863 176.000 0.106 0.000 0.981 242 Q CA -1.447 54.397 55.803 0.068 0.000 0.905 242 Q CB 0.731 29.497 28.738 0.046 0.000 1.186 242 Q HN 0.540 nan 8.270 nan 0.000 0.399 243 P HA -0.040 nan 4.420 nan 0.000 0.274 243 P C 0.154 177.554 177.300 0.167 0.000 1.264 243 P CA -0.128 63.041 63.100 0.114 0.000 0.795 243 P CB 0.819 32.555 31.700 0.059 0.000 1.064 244 I N -1.351 119.320 120.570 0.168 0.000 2.617 244 I HA -0.092 4.077 4.170 -0.001 0.000 0.256 244 I C 0.038 176.251 176.117 0.160 0.000 1.167 244 I CA 0.642 62.080 61.300 0.230 0.000 1.469 244 I CB 0.062 38.209 38.000 0.245 0.000 1.098 244 I HN 0.038 nan 8.210 nan 0.000 0.436 245 V N 1.781 121.756 119.914 0.102 0.000 3.346 245 V HA -0.204 3.915 4.120 -0.001 0.000 0.477 245 V C -0.536 175.611 176.094 0.088 0.000 0.682 245 V CA -0.125 62.226 62.300 0.085 0.000 2.016 245 V CB -1.276 30.600 31.823 0.088 0.000 2.468 245 V HN 0.122 nan 8.190 nan 0.000 0.500 246 L N 6.481 127.751 121.223 0.078 0.000 2.322 246 L HA 0.643 4.983 4.340 -0.001 0.000 0.281 246 L C -1.642 175.305 176.870 0.128 0.000 1.014 246 L CA -1.821 53.084 54.840 0.109 0.000 0.815 246 L CB 1.826 43.939 42.059 0.089 0.000 1.247 246 L HN 0.441 nan 8.230 nan 0.000 0.421 247 P HA 0.035 nan 4.420 nan 0.000 0.272 247 P C -0.818 176.560 177.300 0.131 0.000 1.243 247 P CA -0.167 62.986 63.100 0.089 0.000 0.803 247 P CB 0.473 32.169 31.700 -0.007 0.000 0.974 248 E N 0.450 120.652 120.200 0.004 0.000 2.642 248 E HA 0.201 4.550 4.350 -0.001 0.000 0.284 248 E C -1.054 175.494 176.600 -0.085 0.000 1.039 248 E CA -0.405 56.023 56.400 0.047 0.000 0.777 248 E CB 0.469 30.197 29.700 0.047 0.000 1.473 248 E HN 0.295 nan 8.360 nan 0.000 0.388 249 K N 1.257 121.538 120.400 -0.199 0.000 2.350 249 K HA 0.349 4.668 4.320 -0.001 0.000 0.241 249 K C 0.060 176.591 176.600 -0.115 0.000 0.994 249 K CA -0.874 55.200 56.287 -0.354 0.000 0.839 249 K CB 1.551 33.532 32.500 -0.866 0.000 1.244 249 K HN 0.135 nan 8.250 nan 0.000 0.443 250 D N 0.446 120.792 120.400 -0.091 0.000 2.107 250 D HA -0.096 4.543 4.640 -0.001 0.000 0.204 250 D C 0.674 177.036 176.300 0.103 0.000 0.978 250 D CA 1.166 55.184 54.000 0.030 0.000 0.852 250 D CB -0.143 40.659 40.800 0.004 0.000 1.008 250 D HN 0.502 nan 8.370 nan 0.000 0.458 251 S N -0.843 114.868 115.700 0.019 0.000 2.549 251 S HA 0.511 4.981 4.470 -0.001 0.000 0.297 251 S C -1.107 173.513 174.600 0.033 0.000 1.115 251 S CA -0.885 57.379 58.200 0.106 0.000 1.059 251 S CB 1.395 64.626 63.200 0.052 0.000 1.046 251 S HN 0.161 nan 8.310 nan 0.000 0.506 252 W N 0.935 122.235 121.300 0.000 0.000 2.761 252 W HA 0.596 5.256 4.660 -0.001 0.000 0.340 252 W C 0.455 176.975 176.519 0.002 0.000 1.072 252 W CA -0.536 56.810 57.345 0.002 0.000 1.215 252 W CB 1.780 31.241 29.460 0.002 0.000 1.420 252 W HN 0.930 nan 8.180 nan 0.000 0.519 253 T N -2.479 112.212 114.554 0.228 0.000 2.923 253 T HA 0.394 4.744 4.350 -0.001 0.000 0.281 253 T C 0.731 175.521 174.700 0.151 0.000 0.995 253 T CA -0.706 61.477 62.100 0.139 0.000 0.985 253 T CB 0.964 69.877 68.868 0.074 0.000 1.114 253 T HN 0.190 nan 8.240 nan 0.000 0.548 254 V N 1.363 121.334 119.914 0.096 0.000 2.295 254 V HA -0.167 3.953 4.120 -0.001 0.000 0.246 254 V C 2.861 179.009 176.094 0.091 0.000 1.049 254 V CA 2.385 64.733 62.300 0.079 0.000 1.024 254 V CB -1.442 30.412 31.823 0.052 0.000 0.648 254 V HN 0.991 nan 8.190 nan 0.000 0.447 255 N N 0.771 119.519 118.700 0.080 0.000 2.060 255 N HA -0.234 4.505 4.740 -0.001 0.000 0.195 255 N C 1.486 177.064 175.510 0.112 0.000 1.028 255 N CA 2.202 55.298 53.050 0.076 0.000 0.861 255 N CB -0.321 38.196 38.487 0.050 0.000 1.029 255 N HN 0.506 nan 8.380 nan 0.000 0.428 256 D N -0.190 120.301 120.400 0.152 0.000 2.117 256 D HA -0.094 4.545 4.640 -0.001 0.000 0.197 256 D C 2.034 178.547 176.300 0.356 0.000 0.987 256 D CA 0.965 55.111 54.000 0.242 0.000 0.829 256 D CB -0.228 40.723 40.800 0.251 0.000 0.961 256 D HN 0.474 nan 8.370 nan 0.000 0.460 257 I N 0.867 121.611 120.570 0.290 0.000 2.252 257 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 257 I C 2.498 178.673 176.117 0.098 0.000 1.102 257 I CA 0.891 62.277 61.300 0.143 0.000 1.385 257 I CB -0.338 37.687 38.000 0.041 0.000 1.064 257 I HN -0.073 nan 8.210 nan 0.000 0.414 258 Q N 1.124 120.984 119.800 0.100 0.000 2.061 258 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 258 Q C 2.233 178.304 176.000 0.119 0.000 0.984 258 Q CA 1.573 57.427 55.803 0.086 0.000 0.846 258 Q CB -0.188 28.597 28.738 0.077 0.000 0.902 258 Q HN 0.462 nan 8.270 nan 0.000 0.421 259 K N 0.243 120.732 120.400 0.148 0.000 2.147 259 K HA -0.163 4.157 4.320 -0.001 0.000 0.205 259 K C 2.008 178.733 176.600 0.209 0.000 1.049 259 K CA 0.839 57.240 56.287 0.190 0.000 0.936 259 K CB -0.100 32.497 32.500 0.161 0.000 0.722 259 K HN 0.068 nan 8.250 nan 0.000 0.446 260 L N 0.524 121.856 121.223 0.180 0.000 2.072 260 L HA -0.105 4.235 4.340 -0.001 0.000 0.205 260 L C 1.929 178.818 176.870 0.032 0.000 1.079 260 L CA 1.345 56.265 54.840 0.134 0.000 0.752 260 L CB -0.245 41.900 42.059 0.142 0.000 0.906 260 L HN -0.126 nan 8.230 nan 0.000 0.436 261 V N 0.244 120.167 119.914 0.015 0.000 2.287 261 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 261 V C 2.623 178.680 176.094 -0.063 0.000 1.053 261 V CA 1.886 64.168 62.300 -0.030 0.000 1.027 261 V CB -1.720 30.094 31.823 -0.016 0.000 0.646 261 V HN 0.622 nan 8.190 nan 0.000 0.447 262 G N -0.533 108.258 108.800 -0.015 0.000 2.459 262 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.217 262 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.217 262 G C 1.643 176.201 174.900 -0.571 0.000 1.183 262 G CA 1.262 46.314 45.100 -0.080 0.000 0.776 262 G HN 0.488 nan 8.290 nan 0.000 0.552 263 K N -0.204 119.870 120.400 -0.543 0.000 2.032 263 K HA -0.007 4.312 4.320 -0.001 0.000 0.209 263 K C 2.580 178.966 176.600 -0.356 0.000 1.048 263 K CA 1.167 57.051 56.287 -0.671 0.000 0.927 263 K CB -0.272 32.215 32.500 -0.021 0.000 0.712 263 K HN 0.347 nan 8.250 nan 0.000 0.441 264 L N 0.678 121.780 121.223 -0.200 0.000 2.072 264 L HA -0.164 4.175 4.340 -0.001 0.000 0.205 264 L C 2.329 179.083 176.870 -0.193 0.000 1.079 264 L CA 1.281 56.029 54.840 -0.152 0.000 0.752 264 L CB -0.589 41.403 42.059 -0.113 0.000 0.906 264 L HN 0.338 nan 8.230 nan 0.000 0.436 265 N N -0.254 118.325 118.700 -0.201 0.000 2.094 265 N HA -0.305 4.435 4.740 -0.001 0.000 0.191 265 N C 1.674 177.041 175.510 -0.238 0.000 1.023 265 N CA 1.871 54.811 53.050 -0.183 0.000 0.857 265 N CB -0.335 38.069 38.487 -0.137 0.000 1.013 265 N HN 0.408 nan 8.380 nan 0.000 0.426 266 W N 0.983 121.950 121.300 -0.555 0.000 2.380 266 W HA 0.079 4.739 4.660 -0.001 0.000 0.317 266 W C 2.385 178.592 176.519 -0.520 0.000 1.196 266 W CA 2.309 59.268 57.345 -0.645 0.000 1.307 266 W CB -0.995 27.777 29.460 -1.147 0.000 1.157 266 W HN 0.137 nan 8.180 nan 0.000 0.483 267 A N 0.515 122.993 122.820 -0.570 0.000 2.032 267 A HA -0.297 4.022 4.320 -0.001 0.000 0.221 267 A C 2.088 179.440 177.584 -0.387 0.000 1.165 267 A CA 2.851 54.537 52.037 -0.584 0.000 0.645 267 A CB -1.646 17.250 19.000 -0.174 0.000 0.807 267 A HN 0.513 nan 8.150 nan 0.000 0.453 268 S N -0.650 114.849 115.700 -0.335 0.000 2.469 268 S HA -0.227 4.243 4.470 -0.001 0.000 0.238 268 S C 1.709 176.118 174.600 -0.319 0.000 0.998 268 S CA 1.401 59.456 58.200 -0.241 0.000 0.957 268 S CB -0.475 62.607 63.200 -0.197 0.000 0.764 268 S HN 0.720 nan 8.310 nan 0.000 0.514 269 Q N 0.086 119.558 119.800 -0.546 0.000 2.378 269 Q HA 0.229 4.568 4.340 -0.001 0.000 0.205 269 Q C 1.758 177.428 176.000 -0.551 0.000 0.954 269 Q CA 1.088 56.517 55.803 -0.624 0.000 0.901 269 Q CB -0.153 27.939 28.738 -1.078 0.000 0.981 269 Q HN 0.682 nan 8.270 nan 0.000 0.483 270 I N -1.462 118.775 120.570 -0.555 0.000 2.726 270 I HA -0.039 4.131 4.170 -0.001 0.000 0.243 270 I C -0.106 175.731 176.117 -0.467 0.000 1.082 270 I CA 0.162 61.151 61.300 -0.520 0.000 1.447 270 I CB 0.289 37.882 38.000 -0.677 0.000 1.250 270 I HN -0.012 nan 8.210 nan 0.000 0.453 271 Y N 1.773 121.945 120.300 -0.213 0.000 2.404 271 Y HA 0.293 4.842 4.550 -0.001 0.000 0.344 271 Y C -1.836 173.989 175.900 -0.125 0.000 0.970 271 Y CA -2.816 55.208 58.100 -0.126 0.000 1.180 271 Y CB -0.221 38.179 38.460 -0.100 0.000 1.138 271 Y HN -0.037 nan 8.280 nan 0.000 0.510 272 P HA -0.132 nan 4.420 nan 0.000 0.216 272 P C 1.721 179.022 177.300 0.002 0.000 1.150 272 P CA 1.731 64.823 63.100 -0.013 0.000 0.837 272 P CB 0.280 31.971 31.700 -0.014 0.000 0.786 273 G N -0.398 108.423 108.800 0.036 0.000 2.564 273 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.216 273 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.216 273 G C 0.616 175.507 174.900 -0.016 0.000 1.124 273 G CA 0.034 45.143 45.100 0.015 0.000 0.764 273 G HN 0.264 nan 8.290 nan 0.000 0.550 274 I N 0.914 121.468 120.570 -0.026 0.000 2.648 274 I HA 0.159 4.329 4.170 -0.001 0.000 0.284 274 I C -0.005 176.073 176.117 -0.064 0.000 1.153 274 I CA 0.190 61.454 61.300 -0.060 0.000 1.426 274 I CB 0.845 38.796 38.000 -0.081 0.000 1.381 274 I HN -0.077 nan 8.210 nan 0.000 0.571 275 K N 5.379 125.737 120.400 -0.069 0.000 2.385 275 K HA 0.503 4.822 4.320 -0.001 0.000 0.248 275 K C -0.135 176.420 176.600 -0.076 0.000 0.955 275 K CA -0.642 55.606 56.287 -0.066 0.000 0.816 275 K CB 2.811 35.277 32.500 -0.057 0.000 1.250 275 K HN 0.369 nan 8.250 nan 0.000 0.434 276 V N 1.901 121.772 119.914 -0.073 0.000 3.509 276 V HA 0.047 4.166 4.120 -0.001 0.000 0.286 276 V C 1.277 177.329 176.094 -0.069 0.000 1.618 276 V CA 0.339 62.593 62.300 -0.078 0.000 1.088 276 V CB 0.157 31.930 31.823 -0.082 0.000 0.909 276 V HN 0.723 nan 8.190 nan 0.000 0.429 277 R N -0.098 120.366 120.500 -0.060 0.000 2.081 277 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 277 R C 2.134 178.401 176.300 -0.056 0.000 1.131 277 R CA 1.944 58.012 56.100 -0.052 0.000 0.960 277 R CB -0.142 30.132 30.300 -0.044 0.000 0.856 277 R HN 0.457 nan 8.270 nan 0.000 0.436 278 Q N 0.613 120.375 119.800 -0.063 0.000 2.079 278 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 278 Q C 2.309 178.259 176.000 -0.084 0.000 0.974 278 Q CA 1.293 57.055 55.803 -0.068 0.000 0.840 278 Q CB -0.208 28.488 28.738 -0.071 0.000 0.898 278 Q HN 0.394 nan 8.270 nan 0.000 0.430 279 L N -0.413 120.751 121.223 -0.100 0.000 2.027 279 L HA -0.201 4.139 4.340 -0.001 0.000 0.206 279 L C 2.684 179.500 176.870 -0.091 0.000 1.074 279 L CA 0.881 55.648 54.840 -0.122 0.000 0.745 279 L CB -0.522 41.452 42.059 -0.141 0.000 0.898 279 L HN 0.237 nan 8.230 nan 0.000 0.433 280 C N 0.012 119.270 119.300 -0.070 0.000 2.411 280 C HA -0.185 4.274 4.460 -0.001 0.000 0.279 280 C C 2.767 177.731 174.990 -0.043 0.000 1.288 280 C CA 0.815 59.803 59.018 -0.050 0.000 1.764 280 C CB -0.763 26.952 27.740 -0.042 0.000 1.974 280 C HN 0.401 nan 8.230 nan 0.000 0.498 281 K N 0.226 120.598 120.400 -0.047 0.000 2.211 281 K HA -0.146 4.174 4.320 -0.001 0.000 0.204 281 K C 1.669 178.246 176.600 -0.038 0.000 1.047 281 K CA 1.162 57.425 56.287 -0.039 0.000 0.935 281 K CB -0.231 32.245 32.500 -0.041 0.000 0.728 281 K HN 0.537 nan 8.250 nan 0.000 0.452 282 L N 0.553 121.747 121.223 -0.049 0.000 2.141 282 L HA -0.096 4.244 4.340 -0.001 0.000 0.209 282 L C 0.993 177.847 176.870 -0.027 0.000 1.094 282 L CA 0.616 55.429 54.840 -0.045 0.000 0.763 282 L CB -0.104 41.912 42.059 -0.072 0.000 0.908 282 L HN 0.101 nan 8.230 nan 0.000 0.437 283 L N 1.437 122.646 121.223 -0.024 0.000 2.422 283 L HA 0.222 4.562 4.340 -0.001 0.000 0.256 283 L C -0.183 176.683 176.870 -0.007 0.000 1.202 283 L CA 0.148 54.983 54.840 -0.009 0.000 1.119 283 L CB -0.313 41.743 42.059 -0.005 0.000 1.383 283 L HN 0.149 nan 8.230 nan 0.000 0.411 284 R N 1.567 122.064 120.500 -0.005 0.000 2.514 284 R HA 0.705 5.044 4.340 -0.001 0.000 0.296 284 R C -0.233 176.067 176.300 -0.000 0.000 1.012 284 R CA -0.626 55.472 56.100 -0.004 0.000 0.897 284 R CB 2.269 32.564 30.300 -0.008 0.000 1.184 284 R HN 0.534 nan 8.270 nan 0.000 0.440 285 G N 0.723 109.524 108.800 0.002 0.000 2.497 285 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.686 285 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.686 285 G C -0.672 174.232 174.900 0.007 0.000 1.288 285 G CA -1.050 44.052 45.100 0.004 0.000 0.899 285 G HN 0.373 nan 8.290 nan 0.000 0.608 286 T N 2.207 116.766 114.554 0.007 0.000 3.766 286 T HA 0.408 4.757 4.350 -0.001 0.000 0.327 286 T C 0.678 175.384 174.700 0.011 0.000 1.595 286 T CA 0.007 62.112 62.100 0.009 0.000 1.204 286 T CB -0.027 68.846 68.868 0.008 0.000 1.245 286 T HN 0.570 nan 8.240 nan 0.000 0.875 287 K N 1.438 121.846 120.400 0.013 0.000 2.098 287 K HA 0.679 4.998 4.320 -0.001 0.000 0.257 287 K C 0.474 177.084 176.600 0.017 0.000 0.999 287 K CA -0.764 55.532 56.287 0.015 0.000 0.924 287 K CB 0.949 33.459 32.500 0.017 0.000 1.028 287 K HN 0.453 nan 8.250 nan 0.000 0.466 288 A N 2.138 124.968 122.820 0.016 0.000 2.462 288 A HA 0.083 4.403 4.320 -0.001 0.000 0.243 288 A C 1.240 178.837 177.584 0.022 0.000 1.076 288 A CA -0.204 51.843 52.037 0.017 0.000 0.773 288 A CB -0.089 18.919 19.000 0.014 0.000 1.010 288 A HN 0.828 nan 8.150 nan 0.000 0.493 289 L N 1.726 122.962 121.223 0.022 0.000 2.127 289 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 289 L C 2.709 179.598 176.870 0.030 0.000 1.089 289 L CA 2.036 56.893 54.840 0.028 0.000 0.757 289 L CB -0.612 41.461 42.059 0.023 0.000 0.899 289 L HN 0.998 nan 8.230 nan 0.000 0.434 290 T N -3.868 110.700 114.554 0.023 0.000 3.113 290 T HA -0.071 4.278 4.350 -0.001 0.000 0.256 290 T C 0.775 175.491 174.700 0.026 0.000 1.131 290 T CA -0.228 61.884 62.100 0.021 0.000 1.074 290 T CB -0.174 68.701 68.868 0.012 0.000 0.944 290 T HN 0.279 nan 8.240 nan 0.000 0.516 291 E N 1.722 121.939 120.200 0.030 0.000 2.417 291 E HA 0.204 4.553 4.350 -0.001 0.000 0.261 291 E C -0.570 176.057 176.600 0.046 0.000 1.000 291 E CA -0.416 56.003 56.400 0.032 0.000 0.919 291 E CB 0.643 30.360 29.700 0.028 0.000 0.955 291 E HN 0.172 nan 8.360 nan 0.000 0.455 292 V N 6.243 126.185 119.914 0.046 0.000 2.686 292 V HA 0.187 4.306 4.120 -0.001 0.000 0.295 292 V C 0.523 176.658 176.094 0.067 0.000 1.055 292 V CA 0.133 62.472 62.300 0.065 0.000 1.050 292 V CB 0.763 32.618 31.823 0.054 0.000 0.984 292 V HN 0.595 nan 8.190 nan 0.000 0.482 293 I N 5.776 126.402 120.570 0.093 0.000 2.500 293 I HA 0.351 4.520 4.170 -0.001 0.000 0.286 293 I C -2.434 173.726 176.117 0.071 0.000 1.063 293 I CA -1.782 59.558 61.300 0.067 0.000 1.062 293 I CB 2.828 40.856 38.000 0.047 0.000 1.223 293 I HN 0.491 nan 8.210 nan 0.000 0.435 294 P HA 0.208 nan 4.420 nan 0.000 0.276 294 P C -0.908 176.384 177.300 -0.014 0.000 1.235 294 P CA -0.428 62.692 63.100 0.034 0.000 0.772 294 P CB 0.953 32.668 31.700 0.025 0.000 0.871 295 L N 3.618 124.813 121.223 -0.046 0.000 2.331 295 L HA 0.224 4.563 4.340 -0.001 0.000 0.278 295 L C 1.522 178.346 176.870 -0.076 0.000 1.106 295 L CA 0.365 55.135 54.840 -0.117 0.000 0.824 295 L CB 0.039 41.960 42.059 -0.231 0.000 1.142 295 L HN 0.449 nan 8.230 nan 0.000 0.443 296 T N -1.287 113.221 114.554 -0.077 0.000 2.926 296 T HA 0.067 4.416 4.350 -0.001 0.000 0.307 296 T C 1.064 175.729 174.700 -0.058 0.000 1.059 296 T CA -0.507 61.560 62.100 -0.056 0.000 1.122 296 T CB 0.726 69.562 68.868 -0.052 0.000 0.972 296 T HN 0.645 nan 8.240 nan 0.000 0.545 297 E N 1.258 121.434 120.200 -0.041 0.000 2.171 297 E HA -0.199 4.151 4.350 -0.001 0.000 0.197 297 E C 1.890 178.463 176.600 -0.044 0.000 0.997 297 E CA 1.931 58.309 56.400 -0.036 0.000 0.810 297 E CB -0.203 29.482 29.700 -0.025 0.000 0.738 297 E HN 0.897 nan 8.360 nan 0.000 0.467 298 E N -0.378 119.794 120.200 -0.047 0.000 2.051 298 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 298 E C 2.131 178.692 176.600 -0.066 0.000 0.991 298 E CA 1.014 57.385 56.400 -0.050 0.000 0.799 298 E CB -0.270 29.403 29.700 -0.046 0.000 0.748 298 E HN 0.361 nan 8.360 nan 0.000 0.449 299 A N 1.831 124.599 122.820 -0.085 0.000 1.933 299 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 299 A C 2.016 179.526 177.584 -0.124 0.000 1.175 299 A CA 1.281 53.248 52.037 -0.117 0.000 0.628 299 A CB -0.355 18.552 19.000 -0.155 0.000 0.814 299 A HN 0.100 nan 8.150 nan 0.000 0.444 300 E N -0.415 119.721 120.200 -0.106 0.000 2.070 300 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 300 E C 1.989 178.551 176.600 -0.063 0.000 1.004 300 E CA 1.485 57.835 56.400 -0.084 0.000 0.805 300 E CB -0.576 29.092 29.700 -0.054 0.000 0.744 300 E HN 0.563 nan 8.360 nan 0.000 0.451 301 L N 1.618 122.808 121.223 -0.054 0.000 1.976 301 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 301 L C 2.454 179.293 176.870 -0.052 0.000 1.071 301 L CA 2.213 57.027 54.840 -0.044 0.000 0.746 301 L CB -0.735 41.301 42.059 -0.038 0.000 0.890 301 L HN 0.108 nan 8.230 nan 0.000 0.432 302 E N -0.362 119.801 120.200 -0.062 0.000 2.086 302 E HA -0.316 4.034 4.350 -0.001 0.000 0.205 302 E C 2.311 178.867 176.600 -0.074 0.000 1.027 302 E CA 2.323 58.683 56.400 -0.068 0.000 0.830 302 E CB -0.469 29.184 29.700 -0.077 0.000 0.751 302 E HN 0.605 nan 8.360 nan 0.000 0.456 303 L N 0.243 121.413 121.223 -0.088 0.000 1.971 303 L HA -0.245 4.094 4.340 -0.001 0.000 0.215 303 L C 2.615 179.453 176.870 -0.053 0.000 1.072 303 L CA 1.835 56.624 54.840 -0.086 0.000 0.758 303 L CB -0.516 41.473 42.059 -0.117 0.000 0.889 303 L HN 0.310 nan 8.230 nan 0.000 0.433 304 A N -0.671 122.125 122.820 -0.040 0.000 1.883 304 A HA -0.320 3.999 4.320 -0.001 0.000 0.217 304 A C 2.159 179.724 177.584 -0.032 0.000 1.186 304 A CA 2.067 54.090 52.037 -0.024 0.000 0.624 304 A CB -0.774 18.215 19.000 -0.017 0.000 0.822 304 A HN 0.629 nan 8.150 nan 0.000 0.444 305 E N -0.265 119.911 120.200 -0.040 0.000 2.118 305 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 305 E C 1.713 178.279 176.600 -0.056 0.000 0.992 305 E CA 1.342 57.717 56.400 -0.042 0.000 0.804 305 E CB -0.109 29.566 29.700 -0.042 0.000 0.741 305 E HN 0.610 nan 8.360 nan 0.000 0.458 306 N N 0.316 118.975 118.700 -0.068 0.000 2.216 306 N HA -0.120 4.619 4.740 -0.001 0.000 0.183 306 N C 1.809 177.255 175.510 -0.107 0.000 1.017 306 N CA 0.654 53.648 53.050 -0.094 0.000 0.861 306 N CB -0.263 38.166 38.487 -0.096 0.000 0.986 306 N HN 0.141 nan 8.380 nan 0.000 0.428 307 R N 1.129 121.587 120.500 -0.070 0.000 2.105 307 R HA -0.067 4.272 4.340 -0.001 0.000 0.239 307 R C 1.698 177.961 176.300 -0.062 0.000 1.135 307 R CA 1.029 57.096 56.100 -0.056 0.000 0.967 307 R CB 0.144 30.433 30.300 -0.018 0.000 0.861 307 R HN 0.177 nan 8.270 nan 0.000 0.442 308 E N 0.513 120.681 120.200 -0.052 0.000 2.051 308 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 308 E C 2.023 178.587 176.600 -0.060 0.000 0.991 308 E CA 1.212 57.587 56.400 -0.042 0.000 0.799 308 E CB -0.153 29.528 29.700 -0.031 0.000 0.748 308 E HN 0.408 nan 8.360 nan 0.000 0.449 309 I N 0.981 121.498 120.570 -0.088 0.000 2.163 309 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 309 I C 2.449 178.439 176.117 -0.211 0.000 1.085 309 I CA 1.002 62.235 61.300 -0.112 0.000 1.347 309 I CB -0.379 37.549 38.000 -0.120 0.000 1.044 309 I HN 0.056 nan 8.210 nan 0.000 0.408 310 L N 0.388 121.428 121.223 -0.305 0.000 2.265 310 L HA -0.175 4.164 4.340 -0.001 0.000 0.215 310 L C 2.484 179.268 176.870 -0.143 0.000 1.117 310 L CA 1.131 55.738 54.840 -0.389 0.000 0.782 310 L CB -0.544 41.329 42.059 -0.311 0.000 0.914 310 L HN 0.224 nan 8.230 nan 0.000 0.441 311 K N -0.210 120.148 120.400 -0.069 0.000 2.025 311 K HA -0.067 4.253 4.320 -0.001 0.000 0.207 311 K C 0.723 177.339 176.600 0.027 0.000 1.049 311 K CA 0.670 56.953 56.287 -0.007 0.000 0.933 311 K CB 0.074 32.572 32.500 -0.004 0.000 0.714 311 K HN 0.179 nan 8.250 nan 0.000 0.438 312 E N 0.468 120.685 120.200 0.028 0.000 2.392 312 E HA 0.054 4.403 4.350 -0.001 0.000 0.256 312 E C -1.776 174.904 176.600 0.133 0.000 1.145 312 E CA -1.659 54.780 56.400 0.065 0.000 0.929 312 E CB -0.123 29.606 29.700 0.048 0.000 0.998 312 E HN -0.069 nan 8.360 nan 0.000 0.442 313 P HA -0.152 nan 4.420 nan 0.000 0.212 313 P C -0.166 177.269 177.300 0.224 0.000 1.027 313 P CA 0.736 63.923 63.100 0.145 0.000 0.913 313 P CB 0.249 31.998 31.700 0.081 0.000 0.573 314 V N -2.290 117.694 119.914 0.116 0.000 2.854 314 V HA 0.112 4.232 4.120 -0.001 0.000 0.274 314 V C -1.098 175.004 176.094 0.015 0.000 1.423 314 V CA -0.694 61.617 62.300 0.018 0.000 0.925 314 V CB 0.286 31.924 31.823 -0.307 0.000 1.116 314 V HN 0.426 nan 8.190 nan 0.000 0.459 315 H N 5.484 124.531 119.070 -0.037 0.000 2.886 315 H HA 0.480 5.035 4.556 -0.001 0.000 0.329 315 H C 1.315 176.606 175.328 -0.062 0.000 1.044 315 H CA 1.506 57.535 56.048 -0.033 0.000 1.456 315 H CB 1.381 31.156 29.762 0.022 0.000 1.464 315 H HN 1.484 nan 8.280 nan 0.000 0.573 316 G N 3.212 111.902 108.800 -0.182 0.000 2.279 316 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.223 316 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.223 316 G C 0.230 175.067 174.900 -0.104 0.000 1.015 316 G CA 0.062 45.072 45.100 -0.152 0.000 0.621 316 G HN 0.854 nan 8.290 nan 0.000 0.506 317 V N -0.946 118.803 119.914 -0.276 0.000 2.530 317 V HA 0.807 4.927 4.120 -0.001 0.000 0.282 317 V C -0.300 175.507 176.094 -0.479 0.000 1.048 317 V CA -1.038 61.126 62.300 -0.226 0.000 0.997 317 V CB 0.650 32.386 31.823 -0.144 0.000 0.987 317 V HN 0.455 nan 8.190 nan 0.000 0.477 318 Y N 3.311 123.642 120.300 0.052 0.000 2.504 318 Y HA 0.449 4.999 4.550 -0.001 0.000 0.344 318 Y C -0.431 175.527 175.900 0.098 0.000 1.023 318 Y CA -1.011 57.147 58.100 0.096 0.000 1.020 318 Y CB 1.804 40.302 38.460 0.063 0.000 1.282 318 Y HN 0.794 nan 8.280 nan 0.000 0.454 319 Y N 3.225 123.639 120.300 0.191 0.000 2.632 319 Y HA 0.153 4.702 4.550 -0.001 0.000 0.329 319 Y C -0.230 175.698 175.900 0.047 0.000 1.174 319 Y CA -0.220 57.914 58.100 0.056 0.000 1.469 319 Y CB 0.366 38.915 38.460 0.148 0.000 1.242 319 Y HN 0.560 nan 8.280 nan 0.000 0.540 320 D N 9.236 129.226 120.400 -0.684 0.000 2.441 320 D HA 0.269 4.908 4.640 -0.001 0.000 0.231 320 D C -2.033 173.696 176.300 -0.952 0.000 1.073 320 D CA -2.657 50.987 54.000 -0.594 0.000 0.850 320 D CB 1.620 42.245 40.800 -0.293 0.000 1.062 320 D HN 0.358 nan 8.370 nan 0.000 0.524 321 P HA -0.138 nan 4.420 nan 0.000 0.226 321 P C 0.988 178.144 177.300 -0.239 0.000 1.146 321 P CA 0.690 63.493 63.100 -0.496 0.000 0.773 321 P CB 0.183 31.809 31.700 -0.124 0.000 0.772 322 S N -1.946 113.619 115.700 -0.225 0.000 2.501 322 S HA 0.056 4.526 4.470 -0.001 0.000 0.220 322 S C 0.941 175.462 174.600 -0.133 0.000 0.997 322 S CA -0.017 58.101 58.200 -0.137 0.000 0.919 322 S CB -0.380 62.753 63.200 -0.111 0.000 0.778 322 S HN 0.090 nan 8.310 nan 0.000 0.523 323 K N 1.691 121.979 120.400 -0.187 0.000 2.118 323 K HA 0.389 4.708 4.320 -0.001 0.000 0.254 323 K C -1.050 175.467 176.600 -0.139 0.000 0.961 323 K CA -0.764 55.434 56.287 -0.149 0.000 0.876 323 K CB 0.673 33.083 32.500 -0.149 0.000 1.077 323 K HN 0.185 nan 8.250 nan 0.000 0.440 324 D N 1.383 121.718 120.400 -0.108 0.000 2.362 324 D HA 0.087 4.726 4.640 -0.001 0.000 0.242 324 D C -0.095 176.101 176.300 -0.172 0.000 1.132 324 D CA -0.171 53.761 54.000 -0.113 0.000 0.907 324 D CB 0.787 41.528 40.800 -0.099 0.000 1.195 324 D HN -0.017 nan 8.370 nan 0.000 0.429 325 L N 2.014 123.104 121.223 -0.221 0.000 2.312 325 L HA 0.417 4.757 4.340 -0.001 0.000 0.281 325 L C 0.237 176.858 176.870 -0.416 0.000 1.070 325 L CA -0.293 54.334 54.840 -0.356 0.000 0.805 325 L CB 0.855 42.660 42.059 -0.424 0.000 1.174 325 L HN 0.256 nan 8.230 nan 0.000 0.434 326 I N 2.472 122.702 120.570 -0.566 0.000 2.509 326 I HA 0.638 4.808 4.170 -0.001 0.000 0.293 326 I C -0.283 175.338 176.117 -0.826 0.000 1.020 326 I CA -0.695 60.195 61.300 -0.685 0.000 1.088 326 I CB 2.075 39.625 38.000 -0.750 0.000 1.267 326 I HN 0.651 nan 8.210 nan 0.000 0.430 327 A N 5.482 127.870 122.820 -0.721 0.000 2.343 327 A HA 0.671 4.991 4.320 -0.001 0.000 0.308 327 A C -0.823 176.574 177.584 -0.311 0.000 1.092 327 A CA -0.528 51.158 52.037 -0.586 0.000 0.751 327 A CB 1.134 19.610 19.000 -0.873 0.000 1.203 327 A HN 0.740 nan 8.150 nan 0.000 0.452 328 E N 1.402 121.546 120.200 -0.093 0.000 2.195 328 E HA 0.628 4.977 4.350 -0.001 0.000 0.271 328 E C -1.188 175.500 176.600 0.147 0.000 0.923 328 E CA -0.436 55.999 56.400 0.059 0.000 0.790 328 E CB 2.089 31.877 29.700 0.147 0.000 1.155 328 E HN 0.625 nan 8.360 nan 0.000 0.402 329 I N 2.238 122.917 120.570 0.182 0.000 2.545 329 I HA 0.248 4.418 4.170 -0.001 0.000 0.292 329 I C -0.800 175.473 176.117 0.260 0.000 1.040 329 I CA -0.853 60.605 61.300 0.264 0.000 1.068 329 I CB 1.933 40.098 38.000 0.274 0.000 1.251 329 I HN 0.324 nan 8.210 nan 0.000 0.424 330 Q N 4.250 124.216 119.800 0.276 0.000 2.365 330 Q HA 0.399 4.738 4.340 -0.001 0.000 0.269 330 Q C -0.775 175.298 176.000 0.123 0.000 1.061 330 Q CA -0.834 55.078 55.803 0.181 0.000 0.816 330 Q CB 2.473 31.279 28.738 0.112 0.000 1.325 330 Q HN 0.333 nan 8.270 nan 0.000 0.446 331 K N 1.969 122.315 120.400 -0.090 0.000 2.285 331 K HA 0.094 4.413 4.320 -0.001 0.000 0.286 331 K C 0.040 176.372 176.600 -0.446 0.000 1.072 331 K CA -0.055 55.841 56.287 -0.653 0.000 0.913 331 K CB 0.651 32.783 32.500 -0.612 0.000 1.067 331 K HN 0.551 nan 8.250 nan 0.000 0.479 332 Q N 2.425 121.929 119.800 -0.493 0.000 2.402 332 Q HA 0.136 4.475 4.340 -0.001 0.000 0.206 332 Q C 0.592 176.430 176.000 -0.270 0.000 0.919 332 Q CA 0.720 56.356 55.803 -0.278 0.000 0.923 332 Q CB 0.768 29.403 28.738 -0.171 0.000 1.048 332 Q HN 1.007 nan 8.270 nan 0.000 0.515 333 G N 1.017 109.590 108.800 -0.379 0.000 2.707 333 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.686 333 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.686 333 G C -0.672 174.116 174.900 -0.186 0.000 1.315 333 G CA -0.282 44.666 45.100 -0.254 0.000 0.832 333 G HN 0.152 nan 8.290 nan 0.000 0.573 334 Q N -1.884 117.851 119.800 -0.110 0.000 2.481 334 Q HA -0.008 4.331 4.340 -0.001 0.000 0.272 334 Q C 2.030 178.011 176.000 -0.030 0.000 1.157 334 Q CA 2.958 58.727 55.803 -0.056 0.000 0.935 334 Q CB -1.674 27.033 28.738 -0.052 0.000 1.338 334 Q HN 2.833 nan 8.270 nan 0.000 0.494 335 G N -1.344 107.449 108.800 -0.012 0.000 2.168 335 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.257 335 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.257 335 G C -0.036 174.939 174.900 0.125 0.000 0.997 335 G CA 0.519 45.689 45.100 0.118 0.000 0.708 335 G HN 0.411 nan 8.290 nan 0.000 0.520 336 Q N -1.375 118.364 119.800 -0.102 0.000 2.245 336 Q HA 0.632 4.972 4.340 -0.001 0.000 0.256 336 Q C -0.861 174.951 176.000 -0.313 0.000 0.942 336 Q CA -0.578 55.188 55.803 -0.062 0.000 0.896 336 Q CB 1.158 29.852 28.738 -0.073 0.000 1.272 336 Q HN 0.364 nan 8.270 nan 0.000 0.442 337 W N 0.690 122.072 121.300 0.137 0.000 3.097 337 W HA 0.317 4.976 4.660 -0.001 0.000 0.335 337 W C -0.518 176.126 176.519 0.210 0.000 1.114 337 W CA -0.592 56.866 57.345 0.189 0.000 1.231 337 W CB 1.502 31.124 29.460 0.270 0.000 1.388 337 W HN 0.482 nan 8.180 nan 0.000 0.485 338 T N -0.213 114.540 114.554 0.331 0.000 2.945 338 T HA 0.861 5.211 4.350 -0.001 0.000 0.286 338 T C -1.059 173.792 174.700 0.250 0.000 1.025 338 T CA -0.643 61.575 62.100 0.196 0.000 1.039 338 T CB 1.899 70.826 68.868 0.098 0.000 1.068 338 T HN 0.499 nan 8.240 nan 0.000 0.497 339 Y N -1.078 119.245 120.300 0.037 0.000 2.609 339 Y HA 0.785 5.334 4.550 -0.001 0.000 0.336 339 Y C -1.602 174.239 175.900 -0.100 0.000 1.129 339 Y CA -1.449 56.647 58.100 -0.006 0.000 1.040 339 Y CB 1.358 39.854 38.460 0.061 0.000 1.310 339 Y HN 0.624 nan 8.280 nan 0.000 0.460 340 Q N 2.118 121.967 119.800 0.082 0.000 2.359 340 Q HA 0.705 5.045 4.340 -0.001 0.000 0.274 340 Q C -1.562 174.488 176.000 0.082 0.000 1.074 340 Q CA -0.573 55.248 55.803 0.030 0.000 0.810 340 Q CB 3.319 32.050 28.738 -0.012 0.000 1.342 340 Q HN 0.747 nan 8.270 nan 0.000 0.427 341 I N 3.184 123.801 120.570 0.078 0.000 2.436 341 I HA 0.617 4.787 4.170 -0.001 0.000 0.289 341 I C -1.120 174.949 176.117 -0.081 0.000 1.010 341 I CA -1.042 60.189 61.300 -0.116 0.000 1.098 341 I CB 0.800 38.787 38.000 -0.021 0.000 1.266 341 I HN 0.663 nan 8.210 nan 0.000 0.434 342 Y N 2.868 123.074 120.300 -0.157 0.000 2.705 342 Y HA 0.469 5.018 4.550 -0.001 0.000 0.332 342 Y C -0.236 175.551 175.900 -0.188 0.000 1.221 342 Y CA -0.992 57.019 58.100 -0.149 0.000 1.059 342 Y CB 1.003 39.410 38.460 -0.088 0.000 1.298 342 Y HN 0.423 nan 8.280 nan 0.000 0.459 343 Q N -0.186 119.676 119.800 0.104 0.000 2.391 343 Q HA 0.309 4.649 4.340 -0.001 0.000 0.243 343 Q C -0.807 175.281 176.000 0.146 0.000 0.874 343 Q CA 0.311 56.122 55.803 0.013 0.000 0.950 343 Q CB 1.304 29.991 28.738 -0.084 0.000 1.103 343 Q HN 0.687 nan 8.270 nan 0.000 0.544 344 E N 1.955 122.266 120.200 0.184 0.000 2.241 344 E HA 0.262 4.612 4.350 -0.001 0.000 0.263 344 E C -2.662 173.809 176.600 -0.216 0.000 0.882 344 E CA -2.334 54.083 56.400 0.029 0.000 0.769 344 E CB 2.097 31.784 29.700 -0.021 0.000 1.185 344 E HN -0.056 nan 8.360 nan 0.000 0.415 345 P HA -0.157 nan 4.420 nan 0.000 0.261 345 P C -0.025 176.843 177.300 -0.719 0.000 1.158 345 P CA 0.725 63.183 63.100 -1.069 0.000 0.758 345 P CB 0.206 31.416 31.700 -0.815 0.000 0.763 346 F N -0.070 119.581 119.950 -0.498 0.000 2.552 346 F HA -0.235 4.292 4.527 -0.001 0.000 0.588 346 F C 1.103 176.746 175.800 -0.263 0.000 0.507 346 F CA 1.400 59.224 58.000 -0.294 0.000 1.012 346 F CB -2.075 36.747 39.000 -0.298 0.000 1.788 346 F HN 0.321 nan 8.300 nan 0.000 0.260 347 K N 2.015 122.367 120.400 -0.079 0.000 2.449 347 K HA 0.112 4.431 4.320 -0.001 0.000 0.237 347 K C -0.105 176.501 176.600 0.011 0.000 1.265 347 K CA -0.164 56.086 56.287 -0.062 0.000 1.193 347 K CB -0.415 32.055 32.500 -0.051 0.000 1.515 347 K HN 0.143 nan 8.250 nan 0.000 0.259 348 N N 2.126 120.843 118.700 0.028 0.000 2.434 348 N HA -0.053 4.687 4.740 -0.001 0.000 0.268 348 N C 0.838 176.400 175.510 0.086 0.000 1.256 348 N CA 0.307 53.429 53.050 0.119 0.000 0.914 348 N CB 0.671 39.244 38.487 0.144 0.000 1.088 348 N HN 0.329 nan 8.380 nan 0.000 0.478 349 L N 1.447 122.745 121.223 0.124 0.000 2.270 349 L HA 0.094 4.434 4.340 -0.001 0.000 0.210 349 L C 1.008 178.035 176.870 0.262 0.000 1.104 349 L CA 0.819 55.764 54.840 0.176 0.000 0.804 349 L CB 0.083 42.241 42.059 0.165 0.000 0.937 349 L HN 0.460 nan 8.230 nan 0.000 0.450 350 K N -0.206 120.336 120.400 0.237 0.000 2.569 350 K HA 0.275 4.595 4.320 -0.001 0.000 0.259 350 K C -1.242 175.432 176.600 0.124 0.000 0.932 350 K CA -0.355 56.061 56.287 0.214 0.000 0.833 350 K CB 1.917 34.606 32.500 0.315 0.000 1.340 350 K HN -0.073 nan 8.250 nan 0.000 0.429 351 T N -0.224 114.342 114.554 0.020 0.000 2.907 351 T HA 0.896 5.246 4.350 -0.001 0.000 0.292 351 T C -0.035 174.428 174.700 -0.394 0.000 1.043 351 T CA -0.389 61.602 62.100 -0.181 0.000 1.003 351 T CB 1.960 70.799 68.868 -0.049 0.000 1.084 351 T HN 0.697 nan 8.240 nan 0.000 0.483 352 G N 0.723 108.944 108.800 -0.965 0.000 2.682 352 G HA2 0.654 4.613 3.960 -0.001 0.000 0.303 352 G HA3 0.654 4.613 3.960 -0.001 0.000 0.303 352 G C -1.924 172.591 174.900 -0.641 0.000 1.341 352 G CA -0.976 43.598 45.100 -0.877 0.000 0.784 352 G HN 0.872 nan 8.290 nan 0.000 0.497 353 K N -1.440 118.904 120.400 -0.093 0.000 2.480 353 K HA 0.659 4.978 4.320 -0.001 0.000 0.258 353 K C -2.310 174.539 176.600 0.414 0.000 0.990 353 K CA -0.945 55.444 56.287 0.170 0.000 0.857 353 K CB 2.689 35.248 32.500 0.098 0.000 1.384 353 K HN 0.574 nan 8.250 nan 0.000 0.446 354 Y N 0.811 121.285 120.300 0.291 0.000 2.330 354 Y HA 0.539 5.089 4.550 -0.001 0.000 0.324 354 Y C -1.870 174.200 175.900 0.284 0.000 1.093 354 Y CA -0.478 57.776 58.100 0.258 0.000 1.103 354 Y CB 1.778 40.372 38.460 0.224 0.000 1.183 354 Y HN 0.644 nan 8.280 nan 0.000 0.433 355 A N 6.831 129.361 122.820 -0.484 0.000 2.303 355 A HA 0.599 4.918 4.320 -0.001 0.000 0.320 355 A C -0.559 176.708 177.584 -0.529 0.000 1.192 355 A CA -1.024 50.823 52.037 -0.317 0.000 0.821 355 A CB 0.391 19.312 19.000 -0.133 0.000 1.188 355 A HN 0.886 nan 8.150 nan 0.000 0.492 356 R N 3.088 123.451 120.500 -0.229 0.000 2.486 356 R HA 0.100 4.439 4.340 -0.001 0.000 0.304 356 R C -0.555 175.688 176.300 -0.095 0.000 0.913 356 R CA 0.569 56.607 56.100 -0.104 0.000 1.124 356 R CB -0.301 30.042 30.300 0.073 0.000 0.891 356 R HN 0.629 nan 8.270 nan 0.000 0.410 357 M N 4.412 123.974 119.600 -0.062 0.000 2.211 357 M HA 0.164 4.644 4.480 -0.001 0.000 0.356 357 M C 0.445 176.755 176.300 0.017 0.000 1.216 357 M CA -0.652 54.639 55.300 -0.014 0.000 1.134 357 M CB 1.064 33.678 32.600 0.023 0.000 1.564 357 M HN 0.601 nan 8.290 nan 0.000 0.463 358 R N 2.553 123.077 120.500 0.040 0.000 3.209 358 R HA -0.060 4.280 4.340 -0.001 0.000 0.307 358 R C 0.455 176.806 176.300 0.085 0.000 0.723 358 R CA 1.050 57.203 56.100 0.088 0.000 1.087 358 R CB -1.615 28.729 30.300 0.073 0.000 0.904 358 R HN 1.052 nan 8.270 nan 0.000 0.383 359 G N 1.608 110.460 108.800 0.088 0.000 3.898 359 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.196 359 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.196 359 G C 0.552 175.060 174.900 -0.653 0.000 1.322 359 G CA -0.044 44.938 45.100 -0.196 0.000 0.942 359 G HN 0.790 nan 8.290 nan 0.000 0.400 360 A N 2.134 124.764 122.820 -0.316 0.000 2.268 360 A HA 0.310 4.630 4.320 -0.001 0.000 0.221 360 A C 1.519 178.974 177.584 -0.215 0.000 1.287 360 A CA 1.139 53.013 52.037 -0.273 0.000 0.902 360 A CB -1.342 17.576 19.000 -0.137 0.000 0.877 360 A HN 0.920 nan 8.150 nan 0.000 0.487 361 H N -0.958 118.114 119.070 0.003 0.000 2.561 361 H HA -0.093 4.462 4.556 -0.001 0.000 0.289 361 H C 0.724 176.053 175.328 0.003 0.000 1.054 361 H CA 1.329 57.381 56.048 0.007 0.000 1.210 361 H CB -0.684 29.079 29.762 0.002 0.000 1.353 361 H HN 0.543 nan 8.280 nan 0.000 0.601 362 T N -3.332 111.234 114.554 0.019 0.000 3.407 362 T HA 0.068 4.418 4.350 -0.001 0.000 0.308 362 T C -0.035 174.644 174.700 -0.035 0.000 0.919 362 T CA -0.645 61.472 62.100 0.028 0.000 0.960 362 T CB -0.034 68.873 68.868 0.065 0.000 1.193 362 T HN 0.168 nan 8.240 nan 0.000 0.568 363 N N 1.004 119.661 118.700 -0.072 0.000 2.504 363 N HA 0.304 5.043 4.740 -0.001 0.000 0.280 363 N C -0.580 174.889 175.510 -0.069 0.000 1.052 363 N CA -0.267 52.708 53.050 -0.124 0.000 0.887 363 N CB 2.222 40.556 38.487 -0.254 0.000 1.323 363 N HN -0.093 nan 8.380 nan 0.000 0.509 364 D N 2.199 122.609 120.400 0.015 0.000 2.117 364 D HA -0.078 4.562 4.640 -0.001 0.000 0.198 364 D C 1.843 178.168 176.300 0.042 0.000 0.982 364 D CA 1.139 55.247 54.000 0.180 0.000 0.828 364 D CB 0.400 41.336 40.800 0.226 0.000 0.967 364 D HN 0.335 nan 8.370 nan 0.000 0.464 365 V N 1.183 121.064 119.914 -0.055 0.000 2.343 365 V HA -0.187 3.932 4.120 -0.001 0.000 0.247 365 V C 2.455 178.402 176.094 -0.246 0.000 1.051 365 V CA 1.271 63.542 62.300 -0.048 0.000 1.036 365 V CB -0.416 31.400 31.823 -0.011 0.000 0.654 365 V HN 0.161 nan 8.190 nan 0.000 0.451 366 K N 0.230 120.270 120.400 -0.599 0.000 2.032 366 K HA -0.245 4.075 4.320 -0.001 0.000 0.209 366 K C 2.216 178.575 176.600 -0.402 0.000 1.048 366 K CA 1.989 57.729 56.287 -0.913 0.000 0.927 366 K CB -0.271 31.609 32.500 -1.033 0.000 0.712 366 K HN 0.559 nan 8.250 nan 0.000 0.441 367 Q N 0.159 119.794 119.800 -0.275 0.000 2.079 367 Q HA -0.146 4.194 4.340 -0.001 0.000 0.200 367 Q C 2.098 177.762 176.000 -0.559 0.000 0.974 367 Q CA 1.200 56.865 55.803 -0.230 0.000 0.840 367 Q CB -0.120 28.607 28.738 -0.019 0.000 0.898 367 Q HN 0.159 nan 8.270 nan 0.000 0.430 368 L N 0.712 121.552 121.223 -0.638 0.000 2.046 368 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 368 L C 2.457 179.200 176.870 -0.213 0.000 1.077 368 L CA 2.410 56.877 54.840 -0.622 0.000 0.747 368 L CB -0.975 40.894 42.059 -0.317 0.000 0.896 368 L HN 0.363 nan 8.230 nan 0.000 0.432 369 T N -3.787 110.776 114.554 0.016 0.000 2.821 369 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 369 T C 1.674 176.301 174.700 -0.121 0.000 1.046 369 T CA 1.395 63.606 62.100 0.186 0.000 1.139 369 T CB -0.519 68.482 68.868 0.221 0.000 0.871 369 T HN 0.514 nan 8.240 nan 0.000 0.454 370 E N 1.526 121.561 120.200 -0.274 0.000 2.051 370 E HA 0.006 4.355 4.350 -0.001 0.000 0.192 370 E C 2.723 178.906 176.600 -0.696 0.000 0.991 370 E CA 1.046 57.208 56.400 -0.397 0.000 0.799 370 E CB -0.404 29.135 29.700 -0.267 0.000 0.748 370 E HN 0.683 nan 8.360 nan 0.000 0.449 371 A N 1.096 123.331 122.820 -0.974 0.000 1.902 371 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 371 A C 2.530 179.791 177.584 -0.539 0.000 1.181 371 A CA 1.289 52.719 52.037 -1.012 0.000 0.623 371 A CB -0.738 17.788 19.000 -0.789 0.000 0.818 371 A HN 0.115 nan 8.150 nan 0.000 0.443 372 V N -0.112 119.555 119.914 -0.412 0.000 2.295 372 V HA -0.341 3.779 4.120 -0.001 0.000 0.246 372 V C 2.655 178.618 176.094 -0.219 0.000 1.049 372 V CA 2.354 64.398 62.300 -0.427 0.000 1.024 372 V CB -0.971 30.600 31.823 -0.420 0.000 0.648 372 V HN 0.655 nan 8.190 nan 0.000 0.447 373 Q N -0.224 119.456 119.800 -0.201 0.000 2.084 373 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 373 Q C 2.404 178.426 176.000 0.038 0.000 0.978 373 Q CA 1.820 57.600 55.803 -0.037 0.000 0.844 373 Q CB -0.261 28.254 28.738 -0.371 0.000 0.898 373 Q HN 0.604 nan 8.270 nan 0.000 0.426 374 K N 1.072 121.381 120.400 -0.153 0.000 2.026 374 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 374 K C 1.961 178.456 176.600 -0.175 0.000 1.048 374 K CA 1.284 57.487 56.287 -0.140 0.000 0.929 374 K CB -0.127 32.243 32.500 -0.215 0.000 0.713 374 K HN 0.144 nan 8.250 nan 0.000 0.439 375 I N 1.114 121.526 120.570 -0.263 0.000 2.179 375 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 375 I C 2.233 178.296 176.117 -0.090 0.000 1.088 375 I CA 1.589 62.708 61.300 -0.301 0.000 1.357 375 I CB -0.472 37.317 38.000 -0.351 0.000 1.051 375 I HN 0.262 nan 8.210 nan 0.000 0.409 376 T N -0.122 114.465 114.554 0.054 0.000 2.720 376 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 376 T C 1.915 176.484 174.700 -0.218 0.000 1.037 376 T CA 2.073 64.120 62.100 -0.089 0.000 1.144 376 T CB -0.472 68.240 68.868 -0.260 0.000 0.864 376 T HN 0.369 nan 8.240 nan 0.000 0.444 377 T N 2.177 116.718 114.554 -0.022 0.000 2.684 377 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 377 T C 1.970 176.686 174.700 0.027 0.000 1.036 377 T CA 1.314 63.485 62.100 0.118 0.000 1.148 377 T CB -0.310 68.723 68.868 0.275 0.000 0.863 377 T HN 0.566 nan 8.240 nan 0.000 0.436 378 E N 0.958 121.105 120.200 -0.088 0.000 2.077 378 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 378 E C 2.623 179.128 176.600 -0.157 0.000 0.989 378 E CA 1.246 57.531 56.400 -0.192 0.000 0.800 378 E CB -0.184 29.189 29.700 -0.544 0.000 0.746 378 E HN 0.343 nan 8.360 nan 0.000 0.452 379 S N 1.107 116.733 115.700 -0.122 0.000 2.359 379 S HA -0.163 4.307 4.470 -0.001 0.000 0.224 379 S C 2.090 176.577 174.600 -0.187 0.000 1.035 379 S CA 0.957 59.157 58.200 -0.000 0.000 1.018 379 S CB -0.261 62.951 63.200 0.020 0.000 0.876 379 S HN 0.206 nan 8.310 nan 0.000 0.448 380 I N 1.160 121.527 120.570 -0.338 0.000 2.163 380 I HA -0.183 3.987 4.170 -0.001 0.000 0.243 380 I C 2.204 178.077 176.117 -0.407 0.000 1.085 380 I CA 1.010 61.997 61.300 -0.522 0.000 1.347 380 I CB -0.577 37.013 38.000 -0.683 0.000 1.044 380 I HN 0.157 nan 8.210 nan 0.000 0.408 381 V N 1.152 120.906 119.914 -0.266 0.000 2.295 381 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 381 V C 2.262 178.272 176.094 -0.140 0.000 1.049 381 V CA 1.983 64.204 62.300 -0.131 0.000 1.024 381 V CB -0.387 31.489 31.823 0.088 0.000 0.648 381 V HN 0.321 nan 8.190 nan 0.000 0.447 382 I N -1.641 118.712 120.570 -0.362 0.000 2.233 382 I HA -0.175 3.994 4.170 -0.001 0.000 0.243 382 I C 2.146 177.761 176.117 -0.837 0.000 1.093 382 I CA 1.624 62.497 61.300 -0.711 0.000 1.380 382 I CB -0.269 36.910 38.000 -1.368 0.000 1.067 382 I HN 0.377 nan 8.210 nan 0.000 0.413 383 W N -0.024 120.917 121.300 -0.598 0.000 2.940 383 W HA 0.393 5.053 4.660 -0.001 0.000 0.297 383 W C 1.328 177.081 176.519 -1.277 0.000 1.149 383 W CA 0.576 57.358 57.345 -0.938 0.000 1.564 383 W CB -0.272 28.586 29.460 -1.002 0.000 1.010 383 W HN 0.277 nan 8.180 nan 0.000 0.578 384 G N 2.429 110.586 108.800 -1.071 0.000 2.198 384 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.257 384 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.257 384 G C -0.089 174.660 174.900 -0.252 0.000 1.042 384 G CA 0.869 45.582 45.100 -0.644 0.000 0.791 384 G HN 0.248 nan 8.290 nan 0.000 0.502 385 K N -0.268 119.941 120.400 -0.318 0.000 2.546 385 K HA 0.627 4.947 4.320 -0.001 0.000 0.264 385 K C 0.154 176.598 176.600 -0.261 0.000 0.937 385 K CA -0.172 56.007 56.287 -0.179 0.000 0.833 385 K CB 1.339 33.820 32.500 -0.031 0.000 1.378 385 K HN 0.379 nan 8.250 nan 0.000 0.432 386 T N 0.809 115.233 114.554 -0.215 0.000 2.875 386 T HA 0.560 4.910 4.350 -0.001 0.000 0.284 386 T C -2.287 172.304 174.700 -0.182 0.000 0.995 386 T CA -1.563 60.401 62.100 -0.227 0.000 1.060 386 T CB 1.260 70.004 68.868 -0.207 0.000 0.967 386 T HN 0.343 nan 8.240 nan 0.000 0.476 387 P HA 0.334 nan 4.420 nan 0.000 0.278 387 P C -0.826 176.243 177.300 -0.384 0.000 1.258 387 P CA -0.815 62.033 63.100 -0.420 0.000 0.811 387 P CB 0.722 32.014 31.700 -0.680 0.000 1.063 388 K N 1.904 122.080 120.400 -0.373 0.000 2.262 388 K HA 0.304 4.624 4.320 -0.001 0.000 0.282 388 K C -0.821 175.587 176.600 -0.320 0.000 1.066 388 K CA -0.584 55.567 56.287 -0.227 0.000 0.901 388 K CB -0.476 31.915 32.500 -0.181 0.000 1.089 388 K HN 0.310 nan 8.250 nan 0.000 0.476 389 F N 2.616 122.484 119.950 -0.137 0.000 2.384 389 F HA 0.281 4.807 4.527 -0.000 0.000 0.338 389 F C 1.089 176.769 175.800 -0.200 0.000 1.103 389 F CA -0.150 57.756 58.000 -0.156 0.000 1.157 389 F CB 0.944 39.864 39.000 -0.134 0.000 1.167 389 F HN 0.152 nan 8.300 nan 0.000 0.529 390 K N 4.689 125.081 120.400 -0.013 0.000 2.414 390 K HA 0.394 4.713 4.320 -0.001 0.000 0.251 390 K C -1.181 175.383 176.600 -0.059 0.000 1.037 390 K CA -0.313 55.935 56.287 -0.065 0.000 0.980 390 K CB 0.807 33.293 32.500 -0.024 0.000 1.280 390 K HN 0.495 nan 8.250 nan 0.000 0.451 391 L N 5.041 126.138 121.223 -0.210 0.000 2.278 391 L HA 0.244 4.584 4.340 -0.001 0.000 0.287 391 L C -1.719 175.143 176.870 -0.013 0.000 1.072 391 L CA -1.921 52.789 54.840 -0.217 0.000 0.819 391 L CB 0.512 42.209 42.059 -0.603 0.000 1.176 391 L HN 0.293 nan 8.230 nan 0.000 0.435 392 P HA 0.188 nan 4.420 nan 0.000 0.230 392 P C -0.490 176.907 177.300 0.162 0.000 1.791 392 P CA 0.486 63.665 63.100 0.132 0.000 1.020 392 P CB 0.449 32.250 31.700 0.169 0.000 1.977 393 I N -0.772 119.904 120.570 0.177 0.000 3.066 393 I HA 0.226 4.395 4.170 -0.001 0.000 0.307 393 I C -1.162 175.038 176.117 0.138 0.000 1.366 393 I CA -1.213 60.196 61.300 0.183 0.000 0.972 393 I CB 2.998 41.137 38.000 0.232 0.000 1.307 393 I HN -0.111 nan 8.210 nan 0.000 0.470 394 Q N 4.902 124.737 119.800 0.057 0.000 2.296 394 Q HA 0.113 4.452 4.340 -0.001 0.000 0.262 394 Q C 0.775 176.591 176.000 -0.306 0.000 0.981 394 Q CA 0.002 55.768 55.803 -0.061 0.000 0.905 394 Q CB 1.395 30.138 28.738 0.009 0.000 1.186 394 Q HN 0.615 nan 8.270 nan 0.000 0.399 395 K N 3.431 123.398 120.400 -0.721 0.000 2.015 395 K HA -0.308 4.011 4.320 -0.001 0.000 0.220 395 K C 1.064 177.381 176.600 -0.472 0.000 1.055 395 K CA 2.509 58.029 56.287 -1.278 0.000 0.951 395 K CB 0.113 32.093 32.500 -0.867 0.000 0.725 395 K HN 0.658 nan 8.250 nan 0.000 0.449 396 E N -0.042 120.036 120.200 -0.203 0.000 2.130 396 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 396 E C 2.002 178.608 176.600 0.010 0.000 0.998 396 E CA 2.134 58.501 56.400 -0.054 0.000 0.806 396 E CB -0.531 29.163 29.700 -0.010 0.000 0.738 396 E HN 0.433 nan 8.360 nan 0.000 0.459 397 T N 0.286 114.896 114.554 0.093 0.000 2.674 397 T HA -0.174 4.175 4.350 -0.001 0.000 0.265 397 T C 1.322 176.233 174.700 0.353 0.000 1.039 397 T CA 1.190 63.487 62.100 0.328 0.000 1.150 397 T CB -0.456 68.597 68.868 0.309 0.000 0.864 397 T HN 0.403 nan 8.240 nan 0.000 0.427 398 W N 2.499 123.811 121.300 0.020 0.000 2.335 398 W HA -0.145 4.515 4.660 -0.000 0.000 0.311 398 W C 1.962 178.516 176.519 0.058 0.000 1.213 398 W CA 1.385 58.733 57.345 0.005 0.000 1.274 398 W CB -0.221 29.159 29.460 -0.133 0.000 1.148 398 W HN 0.344 nan 8.180 nan 0.000 0.498 399 E N -0.237 120.009 120.200 0.076 0.000 2.070 399 E HA -0.225 4.125 4.350 -0.001 0.000 0.197 399 E C 1.930 178.484 176.600 -0.075 0.000 1.004 399 E CA 2.455 58.875 56.400 0.033 0.000 0.805 399 E CB -0.887 28.818 29.700 0.009 0.000 0.744 399 E HN 0.257 nan 8.360 nan 0.000 0.451 400 T N -0.036 114.405 114.554 -0.189 0.000 2.746 400 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 400 T C 1.330 175.622 174.700 -0.680 0.000 1.039 400 T CA 1.000 62.778 62.100 -0.538 0.000 1.142 400 T CB -0.071 68.222 68.868 -0.959 0.000 0.866 400 T HN 0.333 nan 8.240 nan 0.000 0.444 401 W N 0.261 121.450 121.300 -0.185 0.000 2.940 401 W HA 0.219 4.878 4.660 -0.001 0.000 0.297 401 W C 2.023 178.316 176.519 -0.378 0.000 1.149 401 W CA -0.829 56.378 57.345 -0.231 0.000 1.564 401 W CB -0.441 28.994 29.460 -0.042 0.000 1.010 401 W HN 0.395 nan 8.180 nan 0.000 0.578 402 W N 2.207 123.138 121.300 -0.615 0.000 2.305 402 W HA -0.278 4.382 4.660 -0.000 0.000 0.308 402 W C 1.542 177.830 176.519 -0.385 0.000 1.226 402 W CA 2.523 59.356 57.345 -0.854 0.000 1.253 402 W CB -1.916 26.526 29.460 -1.697 0.000 1.146 402 W HN -0.151 nan 8.180 nan 0.000 0.507 403 T N -1.023 112.748 114.554 -1.306 0.000 3.007 403 T HA -0.180 4.170 4.350 -0.001 0.000 0.270 403 T C 1.447 175.838 174.700 -0.514 0.000 1.107 403 T CA 1.592 63.025 62.100 -1.112 0.000 1.118 403 T CB -0.434 67.650 68.868 -1.307 0.000 0.889 403 T HN 0.114 nan 8.240 nan 0.000 0.506 404 E N 1.089 120.977 120.200 -0.520 0.000 2.204 404 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 404 E C 0.558 176.674 176.600 -0.806 0.000 0.989 404 E CA 1.032 57.035 56.400 -0.661 0.000 0.824 404 E CB -0.257 28.937 29.700 -0.843 0.000 0.756 404 E HN 0.877 nan 8.360 nan 0.000 0.477 405 Y N -2.617 117.658 120.300 -0.042 0.000 2.563 405 Y HA 0.221 4.771 4.550 -0.001 0.000 0.250 405 Y C 0.232 176.126 175.900 -0.009 0.000 1.126 405 Y CA -0.944 57.135 58.100 -0.035 0.000 1.231 405 Y CB -0.142 38.289 38.460 -0.049 0.000 1.288 405 Y HN -0.012 nan 8.280 nan 0.000 0.537 406 W N 4.062 125.321 121.300 -0.068 0.000 2.253 406 W HA 0.138 4.797 4.660 -0.001 0.000 0.322 406 W C 0.044 176.512 176.519 -0.085 0.000 1.342 406 W CA 0.838 58.161 57.345 -0.037 0.000 1.218 406 W CB 0.927 30.374 29.460 -0.022 0.000 1.205 406 W HN 0.313 nan 8.180 nan 0.000 0.551 407 Q N 3.324 122.852 119.800 -0.452 0.000 2.113 407 Q HA 0.196 4.535 4.340 -0.001 0.000 0.225 407 Q C 0.422 176.166 176.000 -0.426 0.000 0.786 407 Q CA -0.230 55.392 55.803 -0.303 0.000 0.989 407 Q CB 1.235 29.822 28.738 -0.252 0.000 1.174 407 Q HN 0.391 nan 8.270 nan 0.000 0.470 408 A N 0.982 123.299 122.820 -0.839 0.000 2.304 408 A HA 0.278 4.598 4.320 -0.001 0.000 0.271 408 A C 1.230 178.598 177.584 -0.360 0.000 1.091 408 A CA 0.130 51.625 52.037 -0.903 0.000 0.812 408 A CB 0.426 18.254 19.000 -1.953 0.000 1.056 408 A HN 0.255 nan 8.150 nan 0.000 0.489 409 T N -1.568 112.719 114.554 -0.445 0.000 3.067 409 T HA 0.071 4.421 4.350 -0.001 0.000 0.261 409 T C 0.565 175.343 174.700 0.130 0.000 1.110 409 T CA 0.398 62.456 62.100 -0.070 0.000 1.113 409 T CB -0.329 68.522 68.868 -0.028 0.000 0.917 409 T HN 0.698 nan 8.240 nan 0.000 0.499 410 W N 0.673 122.202 121.300 0.383 0.000 2.578 410 W HA 0.761 5.421 4.660 -0.000 0.000 0.364 410 W C -1.111 175.691 176.519 0.472 0.000 1.144 410 W CA -1.776 55.790 57.345 0.367 0.000 1.242 410 W CB 0.718 30.392 29.460 0.356 0.000 1.382 410 W HN -0.103 nan 8.180 nan 0.000 0.625 411 I N 2.608 123.607 120.570 0.715 0.000 2.534 411 I HA 0.209 4.379 4.170 -0.001 0.000 0.286 411 I C -2.191 173.993 176.117 0.113 0.000 1.094 411 I CA -2.166 59.325 61.300 0.317 0.000 1.055 411 I CB 2.142 40.056 38.000 -0.142 0.000 1.225 411 I HN -0.015 nan 8.210 nan 0.000 0.435 412 P HA 0.260 nan 4.420 nan 0.000 0.278 412 P C -0.785 176.328 177.300 -0.311 0.000 1.266 412 P CA -0.406 62.703 63.100 0.016 0.000 0.807 412 P CB 1.018 32.894 31.700 0.294 0.000 1.094 413 E N 0.094 120.182 120.200 -0.188 0.000 2.343 413 E HA 0.270 4.619 4.350 -0.001 0.000 0.269 413 E C -0.590 175.917 176.600 -0.157 0.000 1.047 413 E CA 0.282 56.498 56.400 -0.307 0.000 0.874 413 E CB 0.498 30.107 29.700 -0.151 0.000 1.033 413 E HN 0.460 nan 8.360 nan 0.000 0.409 414 W N 0.695 121.890 121.300 -0.174 0.000 3.118 414 W HA 0.514 5.174 4.660 -0.001 0.000 0.328 414 W C -0.850 175.368 176.519 -0.502 0.000 1.239 414 W CA -1.088 56.049 57.345 -0.347 0.000 1.176 414 W CB 0.168 29.289 29.460 -0.565 0.000 1.433 414 W HN 0.457 nan 8.180 nan 0.000 0.562 415 E N 0.474 120.466 120.200 -0.348 0.000 2.429 415 E HA 0.734 5.084 4.350 -0.001 0.000 0.276 415 E C -1.855 174.250 176.600 -0.825 0.000 0.953 415 E CA -1.055 55.056 56.400 -0.482 0.000 0.787 415 E CB 2.409 32.029 29.700 -0.134 0.000 1.307 415 E HN 0.266 nan 8.360 nan 0.000 0.458 416 F N 0.737 120.685 119.950 -0.004 0.000 2.458 416 F HA 0.538 5.064 4.527 -0.000 0.000 0.336 416 F C 0.148 175.950 175.800 0.003 0.000 1.114 416 F CA -0.783 57.195 58.000 -0.037 0.000 0.987 416 F CB 2.028 41.007 39.000 -0.035 0.000 1.130 416 F HN 0.461 nan 8.300 nan 0.000 0.458 417 V N -0.322 119.672 119.914 0.134 0.000 3.160 417 V HA 0.617 4.736 4.120 -0.001 0.000 0.310 417 V C -1.109 175.044 176.094 0.098 0.000 1.181 417 V CA -1.037 61.322 62.300 0.098 0.000 1.047 417 V CB 2.371 34.231 31.823 0.061 0.000 1.068 417 V HN 0.674 nan 8.190 nan 0.000 0.441 418 N N 1.548 120.295 118.700 0.078 0.000 2.546 418 N HA 0.309 5.049 4.740 -0.001 0.000 0.238 418 N C -0.269 175.273 175.510 0.053 0.000 0.984 418 N CA -0.236 52.852 53.050 0.064 0.000 0.935 418 N CB 1.368 39.888 38.487 0.054 0.000 1.122 418 N HN 0.882 nan 8.380 nan 0.000 0.510 419 T N 3.246 117.831 114.554 0.052 0.000 2.800 419 T HA 0.035 4.385 4.350 -0.001 0.000 0.283 419 T C -2.144 172.563 174.700 0.011 0.000 0.999 419 T CA -0.200 61.925 62.100 0.041 0.000 1.176 419 T CB -0.035 68.855 68.868 0.037 0.000 0.973 419 T HN 0.230 nan 8.240 nan 0.000 0.519 420 P HA 0.209 nan 4.420 nan 0.000 0.271 420 P C -1.866 175.373 177.300 -0.102 0.000 1.233 420 P CA -1.525 61.563 63.100 -0.021 0.000 0.764 420 P CB 0.474 32.184 31.700 0.018 0.000 0.825 421 P HA -0.214 nan 4.420 nan 0.000 0.218 421 P C 1.320 178.401 177.300 -0.364 0.000 1.152 421 P CA 1.388 64.374 63.100 -0.190 0.000 0.857 421 P CB -0.101 31.512 31.700 -0.146 0.000 0.787 422 L N -1.436 119.507 121.223 -0.467 0.000 2.027 422 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 422 L C 2.385 178.369 176.870 -1.477 0.000 1.074 422 L CA 1.328 55.556 54.840 -1.021 0.000 0.745 422 L CB -1.278 40.359 42.059 -0.704 0.000 0.898 422 L HN -0.139 nan 8.230 nan 0.000 0.433 423 V N 0.400 119.839 119.914 -0.793 0.000 2.317 423 V HA -0.399 3.721 4.120 -0.001 0.000 0.251 423 V C 2.608 178.492 176.094 -0.351 0.000 1.065 423 V CA 2.288 64.306 62.300 -0.470 0.000 1.049 423 V CB -0.750 31.069 31.823 -0.006 0.000 0.651 423 V HN 0.494 nan 8.190 nan 0.000 0.450 424 K N -0.226 119.994 120.400 -0.300 0.000 2.032 424 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 424 K C 2.172 178.633 176.600 -0.231 0.000 1.048 424 K CA 1.764 57.944 56.287 -0.178 0.000 0.927 424 K CB -0.231 32.165 32.500 -0.174 0.000 0.712 424 K HN 0.420 nan 8.250 nan 0.000 0.441 425 L N -0.361 120.582 121.223 -0.466 0.000 1.994 425 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 425 L C 2.429 179.202 176.870 -0.162 0.000 1.071 425 L CA 1.693 56.300 54.840 -0.388 0.000 0.745 425 L CB -0.575 41.091 42.059 -0.656 0.000 0.892 425 L HN 0.443 nan 8.230 nan 0.000 0.431 426 W N -0.938 120.101 121.300 -0.436 0.000 2.304 426 W HA -0.295 4.364 4.660 -0.001 0.000 0.315 426 W C 2.167 178.391 176.519 -0.493 0.000 1.233 426 W CA 0.186 57.101 57.345 -0.716 0.000 1.261 426 W CB -0.487 27.869 29.460 -1.840 0.000 1.150 426 W HN 0.147 nan 8.180 nan 0.000 0.494 427 Y N -0.137 120.193 120.300 0.050 0.000 2.482 427 Y HA 0.117 4.667 4.550 -0.001 0.000 0.270 427 Y C 1.396 177.329 175.900 0.054 0.000 1.152 427 Y CA -0.060 58.100 58.100 0.100 0.000 1.292 427 Y CB -0.871 37.656 38.460 0.111 0.000 1.070 427 Y HN -0.069 nan 8.280 nan 0.000 0.528 428 Q N 1.278 121.148 119.800 0.115 0.000 2.386 428 Q HA 0.227 4.567 4.340 -0.001 0.000 0.282 428 Q C -0.890 175.155 176.000 0.074 0.000 1.050 428 Q CA 0.210 56.046 55.803 0.055 0.000 0.918 428 Q CB 0.491 29.220 28.738 -0.014 0.000 1.266 428 Q HN 0.330 nan 8.270 nan 0.000 0.423 429 L N 1.919 123.172 121.223 0.051 0.000 2.304 429 L HA 0.898 5.238 4.340 -0.001 0.000 0.268 429 L C 0.081 176.966 176.870 0.025 0.000 1.010 429 L CA -0.126 54.745 54.840 0.051 0.000 0.813 429 L CB 1.848 43.939 42.059 0.054 0.000 1.315 429 L HN 0.867 nan 8.230 nan 0.000 0.445 430 E N 0.000 120.215 120.200 0.025 0.000 2.725 430 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 430 E CA 0.000 nan 56.400 nan 0.000 0.976 430 E CB 0.000 nan 29.700 nan 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440