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 3klf_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQ 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 0.000 174.646 174.600 0.076 0.000 1.055 3 S CA 0.000 58.246 58.200 0.077 0.000 1.107 3 S CB 0.000 63.258 63.200 0.097 0.000 0.593 4 P HA 0.514 nan 4.420 nan 0.000 0.269 4 P C -0.574 176.763 177.300 0.061 0.000 1.252 4 P CA -0.021 63.114 63.100 0.059 0.000 0.780 4 P CB 0.178 31.907 31.700 0.048 0.000 0.829 5 I N 1.792 122.402 120.570 0.068 0.000 2.969 5 I HA 0.220 4.389 4.170 -0.001 0.000 0.307 5 I C 0.425 176.580 176.117 0.063 0.000 1.149 5 I CA -1.265 60.074 61.300 0.066 0.000 1.008 5 I CB 2.616 40.664 38.000 0.079 0.000 1.232 5 I HN 0.295 nan 8.210 nan 0.000 0.435 6 E N 1.810 122.043 120.200 0.056 0.000 2.003 6 E HA 0.193 4.543 4.350 -0.001 0.000 0.279 6 E C -0.341 176.295 176.600 0.061 0.000 1.132 6 E CA -0.597 55.834 56.400 0.053 0.000 0.888 6 E CB 0.163 29.889 29.700 0.042 0.000 1.056 6 E HN 0.585 nan 8.360 nan 0.000 0.399 7 T N 0.342 114.938 114.554 0.070 0.000 2.784 7 T HA 0.112 4.462 4.350 -0.001 0.000 0.291 7 T C 0.797 175.542 174.700 0.074 0.000 0.942 7 T CA -0.740 61.409 62.100 0.081 0.000 1.161 7 T CB 0.533 69.454 68.868 0.088 0.000 0.885 7 T HN 0.519 nan 8.240 nan 0.000 0.534 8 V N 2.695 122.658 119.914 0.082 0.000 2.625 8 V HA 0.242 4.361 4.120 -0.001 0.000 0.305 8 V C -2.051 174.098 176.094 0.091 0.000 1.055 8 V CA -1.606 60.751 62.300 0.094 0.000 1.209 8 V CB -0.718 31.181 31.823 0.126 0.000 0.877 8 V HN 0.837 nan 8.190 nan 0.000 0.489 9 P HA 0.265 nan 4.420 nan 0.000 0.276 9 P C -0.420 176.894 177.300 0.024 0.000 1.253 9 P CA -0.146 62.986 63.100 0.053 0.000 0.766 9 P CB 1.266 33.003 31.700 0.061 0.000 0.845 10 V N 5.473 125.296 119.914 -0.151 0.000 2.372 10 V HA 0.077 4.197 4.120 -0.001 0.000 0.261 10 V C 1.035 176.994 176.094 -0.224 0.000 1.055 10 V CA -0.384 61.614 62.300 -0.503 0.000 0.930 10 V CB -0.027 31.127 31.823 -1.116 0.000 1.031 10 V HN 0.459 nan 8.190 nan 0.000 0.479 11 K N 4.592 124.952 120.400 -0.067 0.000 2.237 11 K HA 0.478 4.798 4.320 -0.001 0.000 0.270 11 K C -0.575 176.030 176.600 0.009 0.000 1.015 11 K CA -0.718 55.583 56.287 0.023 0.000 0.949 11 K CB 1.636 34.184 32.500 0.080 0.000 0.976 11 K HN 0.365 nan 8.250 nan 0.000 0.472 12 L N 1.653 122.891 121.223 0.026 0.000 2.331 12 L HA 0.244 4.583 4.340 -0.001 0.000 0.275 12 L C -0.222 176.652 176.870 0.007 0.000 1.022 12 L CA -0.466 54.377 54.840 0.004 0.000 0.812 12 L CB 1.199 43.211 42.059 -0.079 0.000 1.257 12 L HN 0.374 nan 8.230 nan 0.000 0.435 13 K N 4.443 124.845 120.400 0.002 0.000 2.477 13 K HA 0.009 4.328 4.320 -0.001 0.000 0.275 13 K C -2.264 174.338 176.600 0.002 0.000 1.054 13 K CA -0.978 55.308 56.287 -0.002 0.000 1.135 13 K CB -0.350 32.148 32.500 -0.004 0.000 0.854 13 K HN 0.405 nan 8.250 nan 0.000 0.484 14 P HA -0.052 nan 4.420 nan 0.000 0.258 14 P C 0.628 177.939 177.300 0.017 0.000 1.187 14 P CA 0.757 63.866 63.100 0.014 0.000 0.767 14 P CB 0.365 32.071 31.700 0.011 0.000 0.770 15 G N 2.695 111.511 108.800 0.026 0.000 2.141 15 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.242 15 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.242 15 G C 0.125 175.047 174.900 0.036 0.000 0.982 15 G CA -0.554 44.566 45.100 0.033 0.000 0.662 15 G HN 0.408 nan 8.290 nan 0.000 0.527 16 M N 1.133 120.750 119.600 0.028 0.000 2.146 16 M HA 0.330 4.809 4.480 -0.001 0.000 0.357 16 M C 0.017 176.346 176.300 0.048 0.000 1.261 16 M CA -0.622 54.693 55.300 0.025 0.000 1.106 16 M CB 0.893 33.491 32.600 -0.004 0.000 1.612 16 M HN 0.242 nan 8.290 nan 0.000 0.470 17 D N 2.287 122.738 120.400 0.085 0.000 2.308 17 D HA 0.409 5.048 4.640 -0.001 0.000 0.251 17 D C 0.571 176.979 176.300 0.179 0.000 1.127 17 D CA 0.246 54.346 54.000 0.167 0.000 0.876 17 D CB 1.035 41.930 40.800 0.158 0.000 1.176 17 D HN 0.722 nan 8.370 nan 0.000 0.446 18 G N 3.202 112.197 108.800 0.324 0.000 2.716 18 G HA2 0.225 4.184 3.960 -0.001 0.000 0.251 18 G HA3 0.225 4.184 3.960 -0.001 0.000 0.251 18 G C -2.191 172.911 174.900 0.338 0.000 1.224 18 G CA -0.888 44.325 45.100 0.189 0.000 0.891 18 G HN 0.510 nan 8.290 nan 0.000 0.561 19 P HA 0.279 nan 4.420 nan 0.000 0.279 19 P C -1.112 176.360 177.300 0.287 0.000 1.239 19 P CA -0.142 63.104 63.100 0.244 0.000 0.789 19 P CB 1.138 32.957 31.700 0.198 0.000 0.933 20 K N 1.772 122.282 120.400 0.182 0.000 2.895 20 K HA 0.388 4.708 4.320 -0.001 0.000 0.191 20 K C -1.104 175.555 176.600 0.097 0.000 1.117 20 K CA -0.492 55.865 56.287 0.117 0.000 0.988 20 K CB 1.383 33.923 32.500 0.068 0.000 1.181 20 K HN 0.168 nan 8.250 nan 0.000 0.598 21 V N 2.721 122.696 119.914 0.102 0.000 2.459 21 V HA 0.297 4.416 4.120 -0.001 0.000 0.295 21 V C 0.061 176.205 176.094 0.083 0.000 1.029 21 V CA -1.085 61.277 62.300 0.103 0.000 0.874 21 V CB 1.582 33.478 31.823 0.121 0.000 0.985 21 V HN 0.418 nan 8.190 nan 0.000 0.438 22 K N 2.752 123.207 120.400 0.092 0.000 2.295 22 K HA 0.249 4.568 4.320 -0.001 0.000 0.270 22 K C -0.091 176.546 176.600 0.062 0.000 1.011 22 K CA -0.296 56.034 56.287 0.072 0.000 0.953 22 K CB 0.894 33.445 32.500 0.085 0.000 0.956 22 K HN 0.730 nan 8.250 nan 0.000 0.477 23 Q N 2.565 122.362 119.800 -0.006 0.000 2.299 23 Q HA 0.164 4.503 4.340 -0.001 0.000 0.246 23 Q C -1.015 174.972 176.000 -0.022 0.000 0.935 23 Q CA -0.338 55.383 55.803 -0.136 0.000 0.887 23 Q CB 0.694 29.348 28.738 -0.140 0.000 1.223 23 Q HN 0.539 nan 8.270 nan 0.000 0.439 24 W N 1.966 123.259 121.300 -0.012 0.000 2.578 24 W HA 0.567 5.227 4.660 -0.001 0.000 0.346 24 W C -2.452 174.031 176.519 -0.060 0.000 1.075 24 W CA -2.608 54.712 57.345 -0.042 0.000 1.233 24 W CB -0.679 28.743 29.460 -0.065 0.000 1.358 24 W HN 0.513 nan 8.180 nan 0.000 0.574 25 P HA -0.018 nan 4.420 nan 0.000 0.264 25 P C -0.510 176.884 177.300 0.157 0.000 1.173 25 P CA 0.667 63.841 63.100 0.123 0.000 0.761 25 P CB 0.524 32.259 31.700 0.059 0.000 0.794 26 L N 1.701 122.962 121.223 0.062 0.000 2.410 26 L HA 0.355 4.694 4.340 -0.001 0.000 0.270 26 L C 0.630 177.500 176.870 -0.001 0.000 0.983 26 L CA -0.916 53.952 54.840 0.047 0.000 0.822 26 L CB 2.077 44.132 42.059 -0.008 0.000 1.285 26 L HN 0.365 nan 8.230 nan 0.000 0.409 27 T N -2.372 112.179 114.554 -0.004 0.000 2.906 27 T HA -0.038 4.311 4.350 -0.001 0.000 0.320 27 T C 1.028 175.699 174.700 -0.049 0.000 1.088 27 T CA -0.062 62.027 62.100 -0.019 0.000 1.120 27 T CB 1.281 70.147 68.868 -0.002 0.000 1.000 27 T HN 0.837 nan 8.240 nan 0.000 0.550 28 E N 1.421 121.597 120.200 -0.040 0.000 2.049 28 E HA -0.312 4.037 4.350 -0.001 0.000 0.198 28 E C 2.035 178.575 176.600 -0.099 0.000 1.007 28 E CA 1.876 58.242 56.400 -0.057 0.000 0.809 28 E CB -0.233 29.448 29.700 -0.032 0.000 0.749 28 E HN 0.944 nan 8.360 nan 0.000 0.450 29 E N 1.064 121.213 120.200 -0.084 0.000 2.160 29 E HA -0.270 4.079 4.350 -0.001 0.000 0.195 29 E C 1.952 178.310 176.600 -0.403 0.000 0.991 29 E CA 1.731 58.047 56.400 -0.138 0.000 0.810 29 E CB -0.434 29.273 29.700 0.013 0.000 0.742 29 E HN 0.401 nan 8.360 nan 0.000 0.466 30 K N 0.481 120.645 120.400 -0.393 0.000 2.393 30 K HA 0.130 4.449 4.320 -0.001 0.000 0.193 30 K C 1.875 178.244 176.600 -0.385 0.000 1.026 30 K CA 0.295 56.215 56.287 -0.612 0.000 1.064 30 K CB 0.151 32.399 32.500 -0.420 0.000 0.833 30 K HN 0.183 nan 8.250 nan 0.000 0.521 31 I N 1.459 121.881 120.570 -0.246 0.000 2.339 31 I HA -0.110 4.059 4.170 -0.001 0.000 0.245 31 I C 1.910 177.920 176.117 -0.178 0.000 1.096 31 I CA 0.828 62.028 61.300 -0.166 0.000 1.408 31 I CB -0.021 37.919 38.000 -0.101 0.000 1.092 31 I HN 0.173 nan 8.210 nan 0.000 0.423 32 K N 1.035 121.322 120.400 -0.188 0.000 2.209 32 K HA -0.093 4.226 4.320 -0.001 0.000 0.204 32 K C 2.114 178.588 176.600 -0.211 0.000 1.048 32 K CA 1.235 57.427 56.287 -0.159 0.000 0.940 32 K CB -0.075 32.351 32.500 -0.122 0.000 0.729 32 K HN 0.284 nan 8.250 nan 0.000 0.451 33 A N 0.912 123.508 122.820 -0.374 0.000 1.897 33 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 33 A C 1.986 179.411 177.584 -0.264 0.000 1.181 33 A CA 0.938 52.705 52.037 -0.449 0.000 0.620 33 A CB -0.336 18.004 19.000 -1.100 0.000 0.821 33 A HN 0.146 nan 8.150 nan 0.000 0.443 34 L N -0.384 120.687 121.223 -0.253 0.000 2.141 34 L HA -0.072 4.268 4.340 -0.001 0.000 0.209 34 L C 2.448 179.257 176.870 -0.100 0.000 1.094 34 L CA 1.264 56.011 54.840 -0.155 0.000 0.763 34 L CB -0.313 41.663 42.059 -0.138 0.000 0.908 34 L HN 0.183 nan 8.230 nan 0.000 0.437 35 V N -0.538 119.321 119.914 -0.091 0.000 2.307 35 V HA -0.287 3.833 4.120 -0.001 0.000 0.245 35 V C 2.499 178.558 176.094 -0.058 0.000 1.045 35 V CA 1.928 64.198 62.300 -0.049 0.000 1.024 35 V CB -0.460 31.339 31.823 -0.041 0.000 0.651 35 V HN 0.577 nan 8.190 nan 0.000 0.449 36 E N 0.252 120.411 120.200 -0.068 0.000 2.023 36 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 36 E C 2.299 178.863 176.600 -0.059 0.000 1.003 36 E CA 1.942 58.310 56.400 -0.053 0.000 0.809 36 E CB -0.127 29.546 29.700 -0.045 0.000 0.755 36 E HN 0.402 nan 8.360 nan 0.000 0.449 37 I N 1.456 121.987 120.570 -0.064 0.000 2.185 37 I HA -0.335 3.835 4.170 -0.001 0.000 0.246 37 I C 2.704 178.754 176.117 -0.111 0.000 1.088 37 I CA 1.023 62.285 61.300 -0.064 0.000 1.347 37 I CB -1.692 36.278 38.000 -0.049 0.000 1.041 37 I HN 0.380 nan 8.210 nan 0.000 0.415 38 C N 0.527 119.741 119.300 -0.143 0.000 2.450 38 C HA -0.084 4.375 4.460 -0.001 0.000 0.279 38 C C 2.981 177.815 174.990 -0.260 0.000 1.335 38 C CA 1.364 60.227 59.018 -0.259 0.000 1.749 38 C CB -1.139 26.391 27.740 -0.351 0.000 1.963 38 C HN 0.667 nan 8.230 nan 0.000 0.501 39 T N -1.097 113.375 114.554 -0.137 0.000 2.995 39 T HA -0.061 4.288 4.350 -0.001 0.000 0.269 39 T C 1.407 176.060 174.700 -0.077 0.000 1.091 39 T CA 1.207 63.260 62.100 -0.078 0.000 1.128 39 T CB -0.239 68.613 68.868 -0.027 0.000 0.891 39 T HN 0.501 nan 8.240 nan 0.000 0.492 40 E N 0.972 121.119 120.200 -0.088 0.000 2.170 40 E HA 0.172 4.521 4.350 -0.001 0.000 0.191 40 E C 2.114 178.650 176.600 -0.107 0.000 0.981 40 E CA 0.510 56.865 56.400 -0.075 0.000 0.830 40 E CB -0.326 29.338 29.700 -0.060 0.000 0.775 40 E HN 0.531 nan 8.360 nan 0.000 0.470 41 M N 0.690 120.195 119.600 -0.160 0.000 2.296 41 M HA -0.137 4.342 4.480 -0.001 0.000 0.265 41 M C 2.243 178.432 176.300 -0.185 0.000 1.064 41 M CA 1.172 56.343 55.300 -0.214 0.000 1.109 41 M CB -0.010 32.419 32.600 -0.285 0.000 1.396 41 M HN 0.059 nan 8.290 nan 0.000 0.430 42 E N 0.481 120.582 120.200 -0.166 0.000 2.072 42 E HA -0.171 4.178 4.350 -0.001 0.000 0.190 42 E C 1.767 178.336 176.600 -0.052 0.000 0.982 42 E CA 1.021 57.362 56.400 -0.097 0.000 0.803 42 E CB 0.231 29.912 29.700 -0.033 0.000 0.755 42 E HN 0.423 nan 8.360 nan 0.000 0.453 43 K N 0.521 120.892 120.400 -0.050 0.000 2.057 43 K HA -0.121 4.198 4.320 -0.001 0.000 0.206 43 K C 1.869 178.451 176.600 -0.031 0.000 1.050 43 K CA 1.386 57.655 56.287 -0.031 0.000 0.935 43 K CB -0.034 32.450 32.500 -0.027 0.000 0.715 43 K HN 0.123 nan 8.250 nan 0.000 0.439 44 E N -0.191 119.980 120.200 -0.048 0.000 2.515 44 E HA -0.063 4.286 4.350 -0.001 0.000 0.201 44 E C 0.813 177.393 176.600 -0.033 0.000 1.071 44 E CA 0.352 56.728 56.400 -0.041 0.000 0.880 44 E CB -0.029 29.631 29.700 -0.066 0.000 0.828 44 E HN 0.529 nan 8.360 nan 0.000 0.540 45 G N 1.499 110.279 108.800 -0.034 0.000 2.168 45 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.263 45 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.263 45 G C 1.046 175.940 174.900 -0.011 0.000 0.977 45 G CA 0.797 45.888 45.100 -0.014 0.000 0.659 45 G HN 0.151 nan 8.290 nan 0.000 0.533 46 K N -0.058 120.307 120.400 -0.058 0.000 2.057 46 K HA 0.065 4.384 4.320 -0.001 0.000 0.207 46 K C 1.762 178.347 176.600 -0.024 0.000 1.049 46 K CA 1.736 57.999 56.287 -0.040 0.000 0.931 46 K CB -0.245 32.130 32.500 -0.208 0.000 0.714 46 K HN 0.901 nan 8.250 nan 0.000 0.440 47 I N -3.323 117.170 120.570 -0.130 0.000 3.067 47 I HA 0.453 4.623 4.170 -0.001 0.000 0.312 47 I C -0.581 175.504 176.117 -0.053 0.000 1.073 47 I CA -0.997 60.204 61.300 -0.165 0.000 1.016 47 I CB 2.354 40.132 38.000 -0.370 0.000 1.227 47 I HN -0.268 nan 8.210 nan 0.000 0.456 48 S N 1.923 117.622 115.700 -0.002 0.000 2.571 48 S HA 0.433 4.902 4.470 -0.001 0.000 0.284 48 S C -0.652 173.979 174.600 0.051 0.000 1.128 48 S CA -0.813 57.409 58.200 0.036 0.000 0.970 48 S CB 1.355 64.562 63.200 0.011 0.000 1.039 48 S HN 0.645 nan 8.310 nan 0.000 0.485 49 K N 3.089 123.498 120.400 0.015 0.000 2.380 49 K HA 0.397 4.716 4.320 -0.001 0.000 0.267 49 K C 0.031 176.521 176.600 -0.183 0.000 0.990 49 K CA 0.180 56.344 56.287 -0.205 0.000 0.946 49 K CB 0.264 32.610 32.500 -0.256 0.000 0.937 49 K HN 0.671 nan 8.250 nan 0.000 0.491 50 I N -2.609 117.811 120.570 -0.251 0.000 3.195 50 I HA 0.562 4.732 4.170 -0.001 0.000 0.313 50 I C 0.059 176.067 176.117 -0.181 0.000 1.237 50 I CA -1.244 59.952 61.300 -0.173 0.000 0.963 50 I CB 1.900 39.814 38.000 -0.142 0.000 1.278 50 I HN 0.583 nan 8.210 nan 0.000 0.460 51 G N 0.537 109.257 108.800 -0.133 0.000 2.671 51 G HA2 0.640 4.600 3.960 -0.001 0.000 0.275 51 G HA3 0.640 4.600 3.960 -0.001 0.000 0.275 51 G C -2.234 172.599 174.900 -0.112 0.000 1.368 51 G CA -1.160 43.866 45.100 -0.122 0.000 1.044 51 G HN 0.583 nan 8.290 nan 0.000 0.543 52 P HA 0.091 nan 4.420 nan 0.000 0.257 52 P C 0.811 178.056 177.300 -0.091 0.000 1.281 52 P CA 0.312 63.356 63.100 -0.092 0.000 0.826 52 P CB 0.562 32.213 31.700 -0.082 0.000 1.237 53 E N 0.423 120.571 120.200 -0.087 0.000 2.427 53 E HA -0.112 4.237 4.350 -0.001 0.000 0.196 53 E C 0.232 176.773 176.600 -0.099 0.000 1.028 53 E CA 0.199 56.548 56.400 -0.084 0.000 0.864 53 E CB -0.962 28.697 29.700 -0.069 0.000 0.813 53 E HN 0.332 nan 8.360 nan 0.000 0.514 54 N N 2.894 121.534 118.700 -0.100 0.000 2.469 54 N HA 0.078 4.818 4.740 -0.001 0.000 0.239 54 N C -1.486 173.916 175.510 -0.180 0.000 1.053 54 N CA -1.449 51.541 53.050 -0.100 0.000 0.937 54 N CB 1.104 39.564 38.487 -0.046 0.000 1.163 54 N HN -0.180 nan 8.380 nan 0.000 0.509 55 P HA -0.158 nan 4.420 nan 0.000 0.226 55 P C -0.525 176.465 177.300 -0.516 0.000 1.146 55 P CA 1.022 63.836 63.100 -0.477 0.000 0.773 55 P CB 0.062 31.389 31.700 -0.620 0.000 0.772 56 Y N 0.468 120.735 120.300 -0.055 0.000 2.334 56 Y HA 0.503 5.053 4.550 -0.001 0.000 0.325 56 Y C 1.051 176.953 175.900 0.004 0.000 1.308 56 Y CA -0.369 57.722 58.100 -0.016 0.000 1.389 56 Y CB 0.334 38.772 38.460 -0.036 0.000 1.328 56 Y HN -0.097 nan 8.280 nan 0.000 0.532 57 N N -1.522 117.302 118.700 0.207 0.000 3.452 57 N HA 0.446 5.186 4.740 -0.001 0.000 0.231 57 N C -2.027 173.567 175.510 0.140 0.000 1.264 57 N CA -0.487 52.648 53.050 0.142 0.000 0.928 57 N CB 1.522 40.053 38.487 0.073 0.000 1.547 57 N HN 0.590 nan 8.380 nan 0.000 0.509 58 T N 1.941 116.563 114.554 0.113 0.000 2.933 58 T HA 0.568 4.918 4.350 -0.001 0.000 0.305 58 T C -2.939 171.739 174.700 -0.036 0.000 1.092 58 T CA -0.809 61.311 62.100 0.034 0.000 1.008 58 T CB 2.319 71.161 68.868 -0.045 0.000 1.102 58 T HN 0.333 nan 8.240 nan 0.000 0.469 59 P HA 0.466 nan 4.420 nan 0.000 0.277 59 P C -0.881 176.248 177.300 -0.285 0.000 1.240 59 P CA -0.458 62.485 63.100 -0.262 0.000 0.798 59 P CB 1.016 32.490 31.700 -0.378 0.000 0.979 60 V N -0.382 119.306 119.914 -0.377 0.000 3.001 60 V HA 0.875 4.995 4.120 -0.001 0.000 0.314 60 V C -0.441 175.532 176.094 -0.202 0.000 1.099 60 V CA -0.766 61.376 62.300 -0.262 0.000 0.989 60 V CB 1.539 33.163 31.823 -0.331 0.000 1.040 60 V HN 0.712 nan 8.190 nan 0.000 0.434 61 F N -0.369 119.372 119.950 -0.349 0.000 3.360 61 F HA 1.055 5.581 4.527 -0.001 0.000 0.327 61 F C -0.585 175.163 175.800 -0.086 0.000 1.186 61 F CA -1.136 56.721 58.000 -0.239 0.000 0.903 61 F CB 0.738 39.674 39.000 -0.106 0.000 1.533 61 F HN 1.188 nan 8.300 nan 0.000 0.515 62 A N 0.845 123.619 122.820 -0.077 0.000 2.604 62 A HA 0.798 5.117 4.320 -0.001 0.000 0.295 62 A C -1.840 175.890 177.584 0.244 0.000 1.067 62 A CA -0.320 51.671 52.037 -0.076 0.000 0.683 62 A CB 1.785 20.767 19.000 -0.029 0.000 1.281 62 A HN 1.604 nan 8.150 nan 0.000 0.407 63 I N -1.095 119.644 120.570 0.282 0.000 2.769 63 I HA 0.660 4.829 4.170 -0.001 0.000 0.298 63 I C -0.849 175.245 176.117 -0.039 0.000 1.128 63 I CA -0.824 60.626 61.300 0.250 0.000 1.031 63 I CB 1.810 39.878 38.000 0.113 0.000 1.235 63 I HN 0.764 nan 8.210 nan 0.000 0.423 64 K N 5.602 125.709 120.400 -0.488 0.000 2.316 64 K HA 0.455 4.775 4.320 -0.001 0.000 0.267 64 K C -0.555 175.840 176.600 -0.341 0.000 1.025 64 K CA -0.491 55.369 56.287 -0.712 0.000 0.896 64 K CB 1.312 33.050 32.500 -1.270 0.000 1.124 64 K HN 0.721 nan 8.250 nan 0.000 0.451 65 K N 1.991 122.257 120.400 -0.224 0.000 2.362 65 K HA 0.241 4.561 4.320 -0.001 0.000 0.245 65 K C -0.199 176.338 176.600 -0.106 0.000 1.040 65 K CA -0.845 55.365 56.287 -0.128 0.000 0.961 65 K CB 0.431 32.888 32.500 -0.072 0.000 1.252 65 K HN 0.342 nan 8.250 nan 0.000 0.503 66 K N 2.107 122.479 120.400 -0.046 0.000 2.412 66 K HA -0.057 4.263 4.320 -0.001 0.000 0.284 66 K C -0.101 176.498 176.600 -0.001 0.000 1.046 66 K CA 0.778 57.049 56.287 -0.026 0.000 0.999 66 K CB 0.300 32.789 32.500 -0.017 0.000 0.941 66 K HN 0.737 nan 8.250 nan 0.000 0.474 67 D N 0.581 120.964 120.400 -0.027 0.000 2.946 67 D HA -0.167 4.472 4.640 -0.001 0.000 0.202 67 D C -1.013 175.262 176.300 -0.041 0.000 1.068 67 D CA 1.394 55.381 54.000 -0.022 0.000 1.011 67 D CB -0.621 40.183 40.800 0.008 0.000 1.105 67 D HN 0.423 nan 8.370 nan 0.000 0.425 68 S N -0.460 115.200 115.700 -0.067 0.000 2.420 68 S HA 0.375 4.844 4.470 -0.001 0.000 0.313 68 S C 1.017 175.537 174.600 -0.134 0.000 1.079 68 S CA -0.105 58.044 58.200 -0.085 0.000 1.104 68 S CB 1.650 64.796 63.200 -0.089 0.000 0.969 68 S HN 0.240 nan 8.310 nan 0.000 0.471 69 T N 2.143 116.635 114.554 -0.104 0.000 3.043 69 T HA 0.056 4.406 4.350 -0.001 0.000 0.263 69 T C 0.659 175.277 174.700 -0.137 0.000 1.094 69 T CA 0.593 62.620 62.100 -0.122 0.000 1.127 69 T CB 0.094 68.930 68.868 -0.053 0.000 0.905 69 T HN 0.241 nan 8.240 nan 0.000 0.490 70 K N 1.477 121.828 120.400 -0.082 0.000 2.322 70 K HA 0.178 4.498 4.320 -0.001 0.000 0.283 70 K C -0.491 176.084 176.600 -0.042 0.000 1.042 70 K CA -0.348 55.935 56.287 -0.006 0.000 0.958 70 K CB 0.520 33.035 32.500 0.024 0.000 0.984 70 K HN 0.310 nan 8.250 nan 0.000 0.473 71 W N 1.819 123.111 121.300 -0.014 0.000 2.112 71 W HA 0.156 4.816 4.660 -0.001 0.000 0.349 71 W C 1.070 177.570 176.519 -0.032 0.000 1.289 71 W CA 0.035 57.365 57.345 -0.024 0.000 1.256 71 W CB 0.441 29.885 29.460 -0.026 0.000 1.148 71 W HN 0.370 nan 8.180 nan 0.000 0.590 72 R N 2.547 123.185 120.500 0.231 0.000 2.534 72 R HA 0.297 4.637 4.340 -0.001 0.000 0.301 72 R C -0.566 175.775 176.300 0.068 0.000 0.961 72 R CA -0.942 55.222 56.100 0.107 0.000 0.871 72 R CB 1.130 31.445 30.300 0.025 0.000 1.170 72 R HN 0.474 nan 8.270 nan 0.000 0.446 73 K N 3.435 123.853 120.400 0.031 0.000 2.237 73 K HA 0.279 4.598 4.320 -0.001 0.000 0.270 73 K C -1.358 175.173 176.600 -0.116 0.000 1.015 73 K CA -0.467 55.784 56.287 -0.060 0.000 0.949 73 K CB 0.724 33.203 32.500 -0.034 0.000 0.976 73 K HN 0.333 nan 8.250 nan 0.000 0.472 74 L N 4.219 125.280 121.223 -0.271 0.000 2.562 74 L HA 0.380 4.720 4.340 -0.001 0.000 0.266 74 L C -1.840 174.871 176.870 -0.266 0.000 0.949 74 L CA -0.544 54.124 54.840 -0.287 0.000 0.879 74 L CB 1.800 43.559 42.059 -0.500 0.000 1.278 74 L HN 0.438 nan 8.230 nan 0.000 0.404 75 V N 3.051 122.887 119.914 -0.129 0.000 2.581 75 V HA 0.438 4.557 4.120 -0.001 0.000 0.303 75 V C -0.386 175.654 176.094 -0.090 0.000 1.041 75 V CA -0.620 61.531 62.300 -0.250 0.000 0.907 75 V CB 1.788 33.236 31.823 -0.625 0.000 0.994 75 V HN 0.758 nan 8.190 nan 0.000 0.442 76 D N 2.465 122.844 120.400 -0.035 0.000 2.631 76 D HA 0.215 4.854 4.640 -0.001 0.000 0.227 76 D C 0.414 176.746 176.300 0.053 0.000 1.146 76 D CA -0.273 53.809 54.000 0.136 0.000 1.009 76 D CB -0.165 40.794 40.800 0.264 0.000 1.057 76 D HN 0.388 nan 8.370 nan 0.000 0.509 77 F N 0.767 120.813 119.950 0.161 0.000 2.754 77 F HA 0.152 4.678 4.527 -0.001 0.000 0.303 77 F C 2.209 178.094 175.800 0.142 0.000 1.196 77 F CA -0.056 58.029 58.000 0.142 0.000 1.416 77 F CB -0.199 38.893 39.000 0.155 0.000 1.092 77 F HN 0.202 nan 8.300 nan 0.000 0.541 78 R N 0.678 121.332 120.500 0.257 0.000 2.153 78 R HA -0.271 4.068 4.340 -0.001 0.000 0.252 78 R C 2.205 178.602 176.300 0.161 0.000 1.158 78 R CA 2.055 58.246 56.100 0.152 0.000 0.975 78 R CB -0.094 30.231 30.300 0.042 0.000 0.871 78 R HN 0.274 nan 8.270 nan 0.000 0.450 79 E N -0.050 120.259 120.200 0.181 0.000 2.024 79 E HA -0.096 4.254 4.350 -0.001 0.000 0.190 79 E C 1.744 178.466 176.600 0.204 0.000 0.974 79 E CA 0.881 57.381 56.400 0.166 0.000 0.810 79 E CB -0.409 29.381 29.700 0.150 0.000 0.775 79 E HN 0.251 nan 8.360 nan 0.000 0.453 80 L N 1.147 122.518 121.223 0.247 0.000 2.351 80 L HA -0.176 4.163 4.340 -0.001 0.000 0.220 80 L C 1.005 178.064 176.870 0.314 0.000 1.127 80 L CA 1.626 56.585 54.840 0.198 0.000 0.786 80 L CB -0.709 41.449 42.059 0.165 0.000 0.914 80 L HN 0.220 nan 8.230 nan 0.000 0.443 81 N N 0.362 119.287 118.700 0.375 0.000 2.290 81 N HA -0.115 4.625 4.740 -0.001 0.000 0.179 81 N C 1.615 177.441 175.510 0.526 0.000 1.016 81 N CA 0.866 54.209 53.050 0.489 0.000 0.871 81 N CB -0.037 38.608 38.487 0.263 0.000 0.987 81 N HN 0.425 nan 8.380 nan 0.000 0.431 82 K N 1.042 121.639 120.400 0.328 0.000 2.147 82 K HA -0.051 4.268 4.320 -0.001 0.000 0.205 82 K C 1.412 178.132 176.600 0.200 0.000 1.049 82 K CA 0.900 57.340 56.287 0.255 0.000 0.936 82 K CB 0.025 32.616 32.500 0.152 0.000 0.722 82 K HN 0.330 nan 8.250 nan 0.000 0.446 83 R N 0.389 121.005 120.500 0.194 0.000 2.359 83 R HA 0.070 4.409 4.340 -0.001 0.000 0.231 83 R C 0.723 177.102 176.300 0.131 0.000 0.913 83 R CA 0.753 56.922 56.100 0.115 0.000 1.075 83 R CB 0.081 30.415 30.300 0.057 0.000 1.087 83 R HN 0.065 nan 8.270 nan 0.000 0.515 84 T N -3.644 111.074 114.554 0.273 0.000 3.111 84 T HA 0.009 4.358 4.350 -0.001 0.000 0.284 84 T C 1.469 176.216 174.700 0.077 0.000 0.983 84 T CA -0.411 61.872 62.100 0.306 0.000 0.900 84 T CB 0.654 69.896 68.868 0.623 0.000 1.132 84 T HN 0.153 nan 8.240 nan 0.000 0.531 85 Q N 1.848 121.588 119.800 -0.101 0.000 2.133 85 Q HA -0.279 4.060 4.340 -0.001 0.000 0.208 85 Q C 1.797 177.220 176.000 -0.962 0.000 0.991 85 Q CA 2.467 57.682 55.803 -0.980 0.000 0.867 85 Q CB -0.434 28.041 28.738 -0.439 0.000 0.911 85 Q HN 0.567 nan 8.270 nan 0.000 0.417 86 D N -0.820 119.337 120.400 -0.404 0.000 2.106 86 D HA -0.225 4.414 4.640 -0.001 0.000 0.191 86 D C 1.511 177.653 176.300 -0.263 0.000 0.997 86 D CA 1.624 55.459 54.000 -0.275 0.000 0.834 86 D CB -0.330 40.402 40.800 -0.113 0.000 0.956 86 D HN 0.413 nan 8.370 nan 0.000 0.448 87 F N 0.654 120.417 119.950 -0.311 0.000 2.069 87 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 87 F C 1.933 177.602 175.800 -0.218 0.000 1.113 87 F CA 2.112 59.987 58.000 -0.207 0.000 1.214 87 F CB -0.460 38.491 39.000 -0.081 0.000 0.978 87 F HN 0.282 nan 8.300 nan 0.000 0.474 88 W N 0.343 121.565 121.300 -0.129 0.000 2.863 88 W HA 0.137 4.796 4.660 -0.001 0.000 0.258 88 W C 1.667 178.058 176.519 -0.214 0.000 1.298 88 W CA 0.778 57.935 57.345 -0.314 0.000 1.451 88 W CB -1.049 28.262 29.460 -0.248 0.000 1.107 88 W HN 0.320 nan 8.180 nan 0.000 0.641 89 E N 1.349 121.269 120.200 -0.468 0.000 2.251 89 E HA -0.047 4.302 4.350 -0.001 0.000 0.194 89 E C 1.658 178.153 176.600 -0.174 0.000 0.964 89 E CA 0.609 56.875 56.400 -0.223 0.000 0.868 89 E CB 0.185 29.600 29.700 -0.475 0.000 0.828 89 E HN 0.006 nan 8.360 nan 0.000 0.481 90 V N 1.149 120.914 119.914 -0.248 0.000 2.607 90 V HA -0.104 4.015 4.120 -0.001 0.000 0.228 90 V C 2.336 178.330 176.094 -0.167 0.000 1.106 90 V CA 1.076 63.273 62.300 -0.172 0.000 1.141 90 V CB -0.727 30.997 31.823 -0.166 0.000 0.808 90 V HN 0.204 nan 8.190 nan 0.000 0.501 91 Q N 0.141 119.817 119.800 -0.207 0.000 2.014 91 Q HA -0.153 4.187 4.340 -0.001 0.000 0.207 91 Q C 1.403 177.256 176.000 -0.245 0.000 0.993 91 Q CA 1.624 57.300 55.803 -0.211 0.000 0.850 91 Q CB -0.172 28.426 28.738 -0.233 0.000 0.916 91 Q HN 0.440 nan 8.270 nan 0.000 0.417 92 L N 1.110 122.109 121.223 -0.373 0.000 3.108 92 L HA 0.306 4.645 4.340 -0.001 0.000 0.251 92 L C 0.508 177.253 176.870 -0.209 0.000 1.315 92 L CA -0.790 53.855 54.840 -0.325 0.000 1.048 92 L CB 0.525 42.282 42.059 -0.503 0.000 1.432 92 L HN 0.071 nan 8.230 nan 0.000 0.543 93 G N 0.591 109.313 108.800 -0.130 0.000 2.614 93 G HA2 0.270 4.229 3.960 -0.001 0.000 0.239 93 G HA3 0.270 4.229 3.960 -0.001 0.000 0.239 93 G C -0.638 174.260 174.900 -0.004 0.000 1.240 93 G CA -0.171 44.910 45.100 -0.032 0.000 0.842 93 G HN 0.243 nan 8.290 nan 0.000 0.584 94 I N 2.349 122.954 120.570 0.058 0.000 2.447 94 I HA 0.371 4.541 4.170 -0.001 0.000 0.287 94 I C -1.763 174.463 176.117 0.180 0.000 1.023 94 I CA -2.551 58.796 61.300 0.078 0.000 1.083 94 I CB 2.221 40.240 38.000 0.033 0.000 1.245 94 I HN 0.432 nan 8.210 nan 0.000 0.434 95 P HA 0.026 nan 4.420 nan 0.000 0.267 95 P C -1.411 176.085 177.300 0.328 0.000 1.200 95 P CA 0.255 63.475 63.100 0.200 0.000 0.772 95 P CB 0.529 32.299 31.700 0.117 0.000 0.855 96 H N 3.130 122.267 119.070 0.112 0.000 2.638 96 H HA 0.356 4.911 4.556 -0.001 0.000 0.317 96 H C -2.117 173.125 175.328 -0.144 0.000 1.006 96 H CA -2.130 53.867 56.048 -0.084 0.000 1.222 96 H CB 0.517 30.198 29.762 -0.135 0.000 1.419 96 H HN 0.235 nan 8.280 nan 0.000 0.489 97 P HA 0.122 nan 4.420 nan 0.000 0.270 97 P C -0.084 176.777 177.300 -0.732 0.000 1.242 97 P CA -0.257 62.553 63.100 -0.484 0.000 0.768 97 P CB 1.096 32.636 31.700 -0.267 0.000 0.820 98 A N 3.163 125.713 122.820 -0.451 0.000 2.359 98 A HA 0.313 4.632 4.320 -0.001 0.000 0.240 98 A C 1.772 179.215 177.584 -0.234 0.000 1.306 98 A CA 0.625 52.455 52.037 -0.345 0.000 0.898 98 A CB -0.658 18.248 19.000 -0.158 0.000 0.956 98 A HN 0.619 nan 8.150 nan 0.000 0.497 99 G N -0.775 107.886 108.800 -0.230 0.000 2.673 99 G HA2 0.119 4.078 3.960 -0.001 0.000 0.208 99 G HA3 0.119 4.078 3.960 -0.001 0.000 0.208 99 G C 1.240 176.046 174.900 -0.156 0.000 1.128 99 G CA 0.621 45.629 45.100 -0.153 0.000 0.805 99 G HN 0.401 nan 8.290 nan 0.000 0.526 100 L N 2.070 123.180 121.223 -0.188 0.000 2.089 100 L HA -0.128 4.211 4.340 -0.001 0.000 0.213 100 L C 2.753 179.517 176.870 -0.176 0.000 1.079 100 L CA 2.584 57.333 54.840 -0.151 0.000 0.758 100 L CB -0.424 41.541 42.059 -0.156 0.000 0.891 100 L HN 0.429 nan 8.230 nan 0.000 0.433 101 K N -0.875 119.398 120.400 -0.211 0.000 2.519 101 K HA -0.186 4.134 4.320 -0.001 0.000 0.196 101 K C 1.548 178.011 176.600 -0.228 0.000 1.041 101 K CA 1.548 57.694 56.287 -0.236 0.000 0.954 101 K CB -0.196 32.163 32.500 -0.236 0.000 0.774 101 K HN 0.401 nan 8.250 nan 0.000 0.480 102 K N 0.205 120.499 120.400 -0.177 0.000 2.367 102 K HA 0.113 4.433 4.320 -0.001 0.000 0.195 102 K C -0.008 176.514 176.600 -0.130 0.000 1.060 102 K CA -0.246 55.956 56.287 -0.142 0.000 1.022 102 K CB 0.439 32.876 32.500 -0.104 0.000 0.894 102 K HN -0.100 nan 8.250 nan 0.000 0.540 103 K N 1.666 121.990 120.400 -0.127 0.000 2.336 103 K HA 0.004 4.323 4.320 -0.001 0.000 0.262 103 K C 1.026 177.559 176.600 -0.112 0.000 0.992 103 K CA 0.214 56.445 56.287 -0.094 0.000 0.927 103 K CB 0.466 32.931 32.500 -0.057 0.000 0.956 103 K HN -0.254 nan 8.250 nan 0.000 0.495 104 K N 0.308 120.660 120.400 -0.079 0.000 2.103 104 K HA 0.043 4.362 4.320 -0.001 0.000 0.204 104 K C -0.273 176.301 176.600 -0.044 0.000 1.052 104 K CA 0.963 57.205 56.287 -0.074 0.000 0.945 104 K CB 0.303 32.766 32.500 -0.063 0.000 0.722 104 K HN 0.514 nan 8.250 nan 0.000 0.443 105 S N -0.570 115.059 115.700 -0.117 0.000 2.536 105 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 105 S C -1.285 173.196 174.600 -0.197 0.000 1.134 105 S CA -0.843 57.230 58.200 -0.211 0.000 0.897 105 S CB 2.729 65.630 63.200 -0.498 0.000 1.094 105 S HN -0.103 nan 8.310 nan 0.000 0.473 106 V N 2.358 122.193 119.914 -0.131 0.000 2.709 106 V HA 0.802 4.921 4.120 -0.001 0.000 0.308 106 V C -0.225 175.921 176.094 0.087 0.000 1.062 106 V CA -0.748 61.584 62.300 0.053 0.000 0.901 106 V CB 2.149 34.011 31.823 0.065 0.000 1.003 106 V HN 1.034 nan 8.190 nan 0.000 0.425 107 T N 0.581 115.224 114.554 0.149 0.000 2.907 107 T HA 0.809 5.158 4.350 -0.001 0.000 0.292 107 T C -0.876 173.784 174.700 -0.066 0.000 1.043 107 T CA -0.795 61.338 62.100 0.055 0.000 1.003 107 T CB 1.876 70.791 68.868 0.078 0.000 1.084 107 T HN 0.349 nan 8.240 nan 0.000 0.483 108 V N 3.026 122.827 119.914 -0.188 0.000 2.398 108 V HA 0.502 4.622 4.120 -0.001 0.000 0.286 108 V C -0.199 175.689 176.094 -0.344 0.000 1.026 108 V CA -0.823 61.246 62.300 -0.384 0.000 0.868 108 V CB 1.006 32.564 31.823 -0.442 0.000 0.982 108 V HN 0.795 nan 8.190 nan 0.000 0.443 109 L N 3.053 124.084 121.223 -0.320 0.000 2.334 109 L HA 0.552 4.891 4.340 -0.001 0.000 0.273 109 L C -0.331 176.388 176.870 -0.252 0.000 1.013 109 L CA -0.623 54.059 54.840 -0.264 0.000 0.816 109 L CB 1.963 43.888 42.059 -0.224 0.000 1.278 109 L HN 0.580 nan 8.230 nan 0.000 0.431 110 D N 1.119 121.383 120.400 -0.227 0.000 2.500 110 D HA 0.189 4.828 4.640 -0.001 0.000 0.219 110 D C 0.659 176.817 176.300 -0.236 0.000 1.137 110 D CA -0.345 53.530 54.000 -0.208 0.000 0.946 110 D CB 0.895 41.590 40.800 -0.176 0.000 1.022 110 D HN 0.290 nan 8.370 nan 0.000 0.518 111 V N 1.495 121.236 119.914 -0.288 0.000 3.577 111 V HA 0.335 4.455 4.120 -0.001 0.000 0.294 111 V C 1.976 177.704 176.094 -0.610 0.000 1.317 111 V CA 0.464 62.532 62.300 -0.387 0.000 1.169 111 V CB 0.027 31.620 31.823 -0.383 0.000 1.011 111 V HN 0.414 nan 8.190 nan 0.000 0.426 112 G N 1.114 109.614 108.800 -0.499 0.000 2.507 112 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.221 112 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.221 112 G C 1.144 175.609 174.900 -0.726 0.000 1.119 112 G CA 1.330 46.079 45.100 -0.585 0.000 0.751 112 G HN 0.609 nan 8.290 nan 0.000 0.574 113 D N 0.879 120.973 120.400 -0.509 0.000 2.149 113 D HA -0.019 4.620 4.640 -0.001 0.000 0.198 113 D C 2.680 178.714 176.300 -0.443 0.000 0.990 113 D CA 1.375 55.137 54.000 -0.398 0.000 0.839 113 D CB -0.442 40.290 40.800 -0.114 0.000 0.948 113 D HN 0.257 nan 8.370 nan 0.000 0.460 114 A N -0.662 121.817 122.820 -0.568 0.000 2.032 114 A HA -0.212 4.108 4.320 -0.001 0.000 0.221 114 A C 1.796 178.989 177.584 -0.653 0.000 1.165 114 A CA 1.409 53.091 52.037 -0.592 0.000 0.645 114 A CB -1.116 17.417 19.000 -0.778 0.000 0.807 114 A HN 0.418 nan 8.150 nan 0.000 0.453 115 Y N -1.637 118.282 120.300 -0.636 0.000 2.373 115 Y HA -0.038 4.512 4.550 -0.001 0.000 0.293 115 Y C 1.757 177.561 175.900 -0.160 0.000 1.129 115 Y CA 0.088 57.895 58.100 -0.489 0.000 1.226 115 Y CB -0.933 37.263 38.460 -0.440 0.000 1.000 115 Y HN 0.316 nan 8.280 nan 0.000 0.549 116 F N -0.121 119.881 119.950 0.087 0.000 2.449 116 F HA -0.186 4.341 4.527 -0.001 0.000 0.299 116 F C 2.215 178.084 175.800 0.116 0.000 1.092 116 F CA 0.718 58.789 58.000 0.117 0.000 1.446 116 F CB -1.037 38.020 39.000 0.095 0.000 1.084 116 F HN -0.035 nan 8.300 nan 0.000 0.567 117 S N -0.749 115.106 115.700 0.258 0.000 2.357 117 S HA -0.020 4.449 4.470 -0.001 0.000 0.221 117 S C 1.004 175.751 174.600 0.244 0.000 1.031 117 S CA 0.319 58.659 58.200 0.233 0.000 0.982 117 S CB -0.244 63.091 63.200 0.225 0.000 0.853 117 S HN -0.035 nan 8.310 nan 0.000 0.458 118 V N 4.962 125.043 119.914 0.279 0.000 2.775 118 V HA 0.218 4.337 4.120 -0.001 0.000 0.299 118 V C -1.975 174.254 176.094 0.225 0.000 1.062 118 V CA -1.656 60.798 62.300 0.258 0.000 1.063 118 V CB 0.625 32.630 31.823 0.304 0.000 0.994 118 V HN 0.266 nan 8.190 nan 0.000 0.483 119 P HA 0.380 nan 4.420 nan 0.000 0.281 119 P C -0.913 176.491 177.300 0.172 0.000 1.264 119 P CA -0.578 62.626 63.100 0.174 0.000 0.824 119 P CB 1.755 33.538 31.700 0.138 0.000 1.092 120 L N 1.202 122.531 121.223 0.176 0.000 2.334 120 L HA 0.322 4.662 4.340 -0.001 0.000 0.275 120 L C 0.396 177.350 176.870 0.140 0.000 1.036 120 L CA -0.807 54.136 54.840 0.171 0.000 0.807 120 L CB 1.240 43.419 42.059 0.200 0.000 1.231 120 L HN 0.377 nan 8.230 nan 0.000 0.438 121 D N 2.189 122.661 120.400 0.120 0.000 2.434 121 D HA -0.105 4.534 4.640 -0.001 0.000 0.252 121 D C 0.973 177.348 176.300 0.124 0.000 1.185 121 D CA 0.278 54.340 54.000 0.103 0.000 0.886 121 D CB 1.164 42.005 40.800 0.068 0.000 1.148 121 D HN 0.544 nan 8.370 nan 0.000 0.483 122 E N 3.057 123.316 120.200 0.098 0.000 2.136 122 E HA -0.293 4.057 4.350 -0.001 0.000 0.208 122 E C 0.878 177.525 176.600 0.078 0.000 1.035 122 E CA 2.186 58.634 56.400 0.081 0.000 0.838 122 E CB -0.117 29.619 29.700 0.061 0.000 0.748 122 E HN 0.629 nan 8.360 nan 0.000 0.459 123 D N -1.132 119.323 120.400 0.092 0.000 2.144 123 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 123 D C 1.486 177.861 176.300 0.126 0.000 0.984 123 D CA 0.900 54.954 54.000 0.090 0.000 0.834 123 D CB -0.394 40.471 40.800 0.108 0.000 0.955 123 D HN 0.275 nan 8.370 nan 0.000 0.465 124 F N 1.112 121.071 119.950 0.016 0.000 2.661 124 F HA 0.085 4.612 4.527 -0.001 0.000 0.298 124 F C 1.942 177.732 175.800 -0.016 0.000 1.137 124 F CA 0.411 58.439 58.000 0.047 0.000 1.454 124 F CB 0.167 39.112 39.000 -0.092 0.000 1.103 124 F HN -0.212 nan 8.300 nan 0.000 0.577 125 R N 0.943 121.494 120.500 0.085 0.000 2.083 125 R HA -0.205 4.134 4.340 -0.001 0.000 0.237 125 R C 2.254 178.489 176.300 -0.108 0.000 1.137 125 R CA 1.953 58.071 56.100 0.030 0.000 0.951 125 R CB -0.544 29.796 30.300 0.067 0.000 0.851 125 R HN 0.345 nan 8.270 nan 0.000 0.434 126 K N -0.133 120.135 120.400 -0.219 0.000 2.362 126 K HA -0.200 4.119 4.320 -0.001 0.000 0.202 126 K C 0.977 177.323 176.600 -0.423 0.000 1.045 126 K CA 1.648 57.761 56.287 -0.291 0.000 0.936 126 K CB -0.262 32.039 32.500 -0.331 0.000 0.747 126 K HN 0.282 nan 8.250 nan 0.000 0.467 127 Y N 2.042 122.041 120.300 -0.501 0.000 2.523 127 Y HA -0.003 4.547 4.550 -0.001 0.000 0.279 127 Y C 2.090 177.817 175.900 -0.289 0.000 1.139 127 Y CA 1.054 58.768 58.100 -0.643 0.000 1.296 127 Y CB 0.173 37.938 38.460 -1.159 0.000 1.045 127 Y HN 0.281 nan 8.280 nan 0.000 0.538 128 T N -2.345 112.205 114.554 -0.007 0.000 3.144 128 T HA 0.451 4.801 4.350 -0.001 0.000 0.249 128 T C 0.900 175.889 174.700 0.482 0.000 1.089 128 T CA -0.003 62.304 62.100 0.344 0.000 0.989 128 T CB -0.544 68.546 68.868 0.370 0.000 0.992 128 T HN 0.188 nan 8.240 nan 0.000 0.540 129 A N 1.910 124.884 122.820 0.255 0.000 2.565 129 A HA 0.500 4.819 4.320 -0.001 0.000 0.237 129 A C 0.011 177.756 177.584 0.267 0.000 1.053 129 A CA -0.293 51.850 52.037 0.176 0.000 0.755 129 A CB -0.591 18.460 19.000 0.084 0.000 0.980 129 A HN 0.761 nan 8.150 nan 0.000 0.506 130 F N -0.702 119.304 119.950 0.094 0.000 2.629 130 F HA 0.834 5.360 4.527 -0.001 0.000 0.316 130 F C -0.331 175.486 175.800 0.028 0.000 1.081 130 F CA -0.855 57.167 58.000 0.036 0.000 0.954 130 F CB 1.513 40.520 39.000 0.011 0.000 1.337 130 F HN 0.314 nan 8.300 nan 0.000 0.474 131 T N 2.617 117.286 114.554 0.192 0.000 2.879 131 T HA 0.537 4.887 4.350 -0.001 0.000 0.290 131 T C -0.621 174.142 174.700 0.106 0.000 0.993 131 T CA -0.360 61.775 62.100 0.059 0.000 0.975 131 T CB 1.245 70.109 68.868 -0.007 0.000 0.981 131 T HN 0.562 nan 8.240 nan 0.000 0.439 132 I N 6.540 127.175 120.570 0.108 0.000 2.342 132 I HA 0.302 4.472 4.170 -0.001 0.000 0.291 132 I C -1.646 174.477 176.117 0.009 0.000 1.010 132 I CA -2.094 59.255 61.300 0.082 0.000 1.308 132 I CB 1.371 39.451 38.000 0.132 0.000 1.400 132 I HN 0.364 nan 8.210 nan 0.000 0.488 133 P HA 0.173 nan 4.420 nan 0.000 0.277 133 P C -0.957 176.328 177.300 -0.025 0.000 1.271 133 P CA -0.419 62.665 63.100 -0.027 0.000 0.795 133 P CB 1.325 33.005 31.700 -0.034 0.000 1.101 134 S N -0.245 115.440 115.700 -0.025 0.000 2.521 134 S HA 0.488 4.957 4.470 -0.001 0.000 0.295 134 S C 0.196 174.782 174.600 -0.023 0.000 1.098 134 S CA -0.975 57.210 58.200 -0.026 0.000 0.999 134 S CB 0.402 63.587 63.200 -0.026 0.000 1.034 134 S HN 0.288 nan 8.310 nan 0.000 0.483 135 I N 2.926 123.481 120.570 -0.025 0.000 2.752 135 I HA 0.022 4.192 4.170 -0.001 0.000 0.289 135 I C 1.196 177.303 176.117 -0.018 0.000 1.197 135 I CA 0.300 61.587 61.300 -0.021 0.000 1.432 135 I CB -0.570 37.417 38.000 -0.023 0.000 1.359 135 I HN 1.030 nan 8.210 nan 0.000 0.571 136 N N 5.221 123.912 118.700 -0.015 0.000 2.693 136 N HA -0.277 4.462 4.740 -0.001 0.000 0.249 136 N C 0.072 175.573 175.510 -0.015 0.000 1.119 136 N CA 1.142 54.184 53.050 -0.013 0.000 0.717 136 N CB -1.052 37.427 38.487 -0.012 0.000 1.071 136 N HN 0.861 nan 8.380 nan 0.000 0.555 137 N N -0.819 117.871 118.700 -0.016 0.000 2.710 137 N HA -0.276 4.464 4.740 -0.001 0.000 0.249 137 N C 0.762 176.260 175.510 -0.019 0.000 1.059 137 N CA 1.197 54.237 53.050 -0.018 0.000 0.720 137 N CB -0.985 37.492 38.487 -0.016 0.000 0.983 137 N HN 0.817 nan 8.380 nan 0.000 0.544 138 E N 0.250 120.438 120.200 -0.020 0.000 2.160 138 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 138 E C 0.674 177.260 176.600 -0.024 0.000 0.991 138 E CA 1.394 57.782 56.400 -0.020 0.000 0.810 138 E CB 0.271 29.959 29.700 -0.020 0.000 0.742 138 E HN 0.444 nan 8.360 nan 0.000 0.466 139 T N -0.236 114.302 114.554 -0.027 0.000 2.868 139 T HA 0.384 4.734 4.350 -0.001 0.000 0.306 139 T C -2.829 171.849 174.700 -0.036 0.000 1.224 139 T CA -1.895 60.185 62.100 -0.032 0.000 1.012 139 T CB 1.899 70.745 68.868 -0.036 0.000 1.221 139 T HN -0.113 nan 8.240 nan 0.000 0.499 140 P HA 0.319 nan 4.420 nan 0.000 0.273 140 P C 0.402 177.668 177.300 -0.056 0.000 1.250 140 P CA -0.129 62.943 63.100 -0.047 0.000 0.793 140 P CB -0.001 31.667 31.700 -0.053 0.000 1.011 141 G N 0.942 109.708 108.800 -0.058 0.000 2.340 141 G HA2 0.305 4.265 3.960 -0.001 0.000 0.245 141 G HA3 0.305 4.265 3.960 -0.001 0.000 0.245 141 G C 0.133 174.970 174.900 -0.105 0.000 1.294 141 G CA -0.558 44.503 45.100 -0.065 0.000 0.896 141 G HN 0.396 nan 8.290 nan 0.000 0.522 142 I N 2.800 123.300 120.570 -0.117 0.000 2.371 142 I HA 0.260 4.430 4.170 -0.001 0.000 0.290 142 I C 0.531 176.461 176.117 -0.312 0.000 1.028 142 I CA -0.378 60.784 61.300 -0.229 0.000 1.345 142 I CB 0.832 38.705 38.000 -0.212 0.000 1.407 142 I HN 0.296 nan 8.210 nan 0.000 0.501 143 R N 6.145 126.388 120.500 -0.429 0.000 2.460 143 R HA 0.618 4.957 4.340 -0.001 0.000 0.303 143 R C -1.495 174.417 176.300 -0.647 0.000 0.968 143 R CA -0.849 55.000 56.100 -0.418 0.000 0.889 143 R CB 1.773 31.915 30.300 -0.262 0.000 1.123 143 R HN 0.431 nan 8.270 nan 0.000 0.455 144 Y N 0.270 120.225 120.300 -0.575 0.000 2.581 144 Y HA 0.249 4.799 4.550 -0.001 0.000 0.345 144 Y C -0.003 175.521 175.900 -0.627 0.000 1.036 144 Y CA -0.918 56.792 58.100 -0.651 0.000 1.042 144 Y CB 2.401 40.296 38.460 -0.941 0.000 1.289 144 Y HN 0.508 nan 8.280 nan 0.000 0.471 145 Q N 0.159 119.860 119.800 -0.165 0.000 2.456 145 Q HA 0.558 4.897 4.340 -0.001 0.000 0.283 145 Q C -2.042 173.982 176.000 0.040 0.000 1.084 145 Q CA -1.113 54.681 55.803 -0.016 0.000 0.801 145 Q CB 2.262 31.011 28.738 0.018 0.000 1.434 145 Q HN 0.657 nan 8.270 nan 0.000 0.419 146 Y N 0.932 121.338 120.300 0.177 0.000 2.304 146 Y HA 0.227 4.776 4.550 -0.001 0.000 0.327 146 Y C 0.614 176.595 175.900 0.134 0.000 1.209 146 Y CA 0.309 58.525 58.100 0.192 0.000 1.299 146 Y CB 1.371 39.988 38.460 0.262 0.000 1.249 146 Y HN 0.799 nan 8.280 nan 0.000 0.519 147 N N 0.143 119.026 118.700 0.306 0.000 2.181 147 N HA 0.154 4.893 4.740 -0.001 0.000 0.207 147 N C -0.990 174.664 175.510 0.240 0.000 1.182 147 N CA -0.028 53.148 53.050 0.210 0.000 0.893 147 N CB 1.059 39.624 38.487 0.131 0.000 1.032 147 N HN 0.338 nan 8.380 nan 0.000 0.513 148 V N -2.118 117.999 119.914 0.338 0.000 3.155 148 V HA 0.498 4.618 4.120 -0.001 0.000 0.313 148 V C -0.186 176.105 176.094 0.329 0.000 1.162 148 V CA -1.173 61.322 62.300 0.325 0.000 1.048 148 V CB 1.400 33.444 31.823 0.368 0.000 1.092 148 V HN -0.114 nan 8.190 nan 0.000 0.447 149 L N 3.536 124.922 121.223 0.273 0.000 2.559 149 L HA 0.284 4.623 4.340 -0.001 0.000 0.274 149 L C -1.853 175.101 176.870 0.141 0.000 1.205 149 L CA -0.790 54.160 54.840 0.184 0.000 0.907 149 L CB 0.624 42.750 42.059 0.111 0.000 1.153 149 L HN 0.641 nan 8.230 nan 0.000 0.490 150 P HA 0.231 nan 4.420 nan 0.000 0.301 150 P C -1.409 175.804 177.300 -0.145 0.000 1.309 150 P CA -0.767 62.158 63.100 -0.291 0.000 0.782 150 P CB 1.159 32.320 31.700 -0.898 0.000 1.282 151 Q N -1.432 118.332 119.800 -0.060 0.000 2.274 151 Q HA 0.526 4.865 4.340 -0.001 0.000 0.260 151 Q C 0.604 176.689 176.000 0.142 0.000 0.974 151 Q CA -0.241 55.570 55.803 0.012 0.000 0.876 151 Q CB 1.397 30.138 28.738 0.005 0.000 1.297 151 Q HN 0.869 nan 8.270 nan 0.000 0.446 152 G N 1.149 110.029 108.800 0.133 0.000 2.308 152 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.221 152 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.221 152 G C -0.675 174.375 174.900 0.249 0.000 1.032 152 G CA -0.259 45.007 45.100 0.276 0.000 0.623 152 G HN 0.619 nan 8.290 nan 0.000 0.506 153 W N 3.180 124.356 121.300 -0.207 0.000 2.238 153 W HA 0.704 5.364 4.660 -0.001 0.000 0.321 153 W C 1.091 177.396 176.519 -0.356 0.000 1.293 153 W CA -0.471 56.648 57.345 -0.378 0.000 1.204 153 W CB 0.767 29.874 29.460 -0.588 0.000 1.167 153 W HN 0.102 nan 8.180 nan 0.000 0.553 154 K N 3.155 123.155 120.400 -0.667 0.000 2.439 154 K HA -0.021 4.298 4.320 -0.001 0.000 0.197 154 K C 2.051 177.917 176.600 -1.223 0.000 1.041 154 K CA 1.070 56.724 56.287 -1.056 0.000 0.970 154 K CB -0.072 31.425 32.500 -1.671 0.000 0.773 154 K HN 0.756 nan 8.250 nan 0.000 0.479 155 G N 0.374 107.891 108.800 -2.138 0.000 2.394 155 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.214 155 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.214 155 G C 1.437 175.648 174.900 -1.149 0.000 1.176 155 G CA 0.593 44.550 45.100 -1.904 0.000 0.786 155 G HN 0.173 nan 8.290 nan 0.000 0.533 156 S N 1.723 116.787 115.700 -1.060 0.000 2.378 156 S HA -0.140 4.329 4.470 -0.001 0.000 0.229 156 S C 0.232 174.356 174.600 -0.794 0.000 1.052 156 S CA 1.869 59.646 58.200 -0.704 0.000 1.084 156 S CB -0.978 61.787 63.200 -0.726 0.000 0.950 156 S HN 0.480 nan 8.310 nan 0.000 0.440 157 P HA 0.165 nan 4.420 nan 0.000 0.237 157 P C 0.671 177.829 177.300 -0.238 0.000 1.178 157 P CA 0.981 63.797 63.100 -0.473 0.000 0.766 157 P CB 0.046 31.539 31.700 -0.346 0.000 0.876 158 A N -0.423 122.210 122.820 -0.311 0.000 1.997 158 A HA 0.141 4.460 4.320 -0.001 0.000 0.212 158 A C 2.170 179.652 177.584 -0.170 0.000 1.178 158 A CA 0.265 52.168 52.037 -0.224 0.000 0.698 158 A CB -0.892 17.948 19.000 -0.267 0.000 0.842 158 A HN 0.069 nan 8.150 nan 0.000 0.458 159 I N -1.928 118.563 120.570 -0.132 0.000 2.406 159 I HA -0.088 4.082 4.170 -0.001 0.000 0.249 159 I C 1.969 178.093 176.117 0.012 0.000 1.122 159 I CA 1.014 62.298 61.300 -0.026 0.000 1.431 159 I CB -0.111 37.918 38.000 0.048 0.000 1.087 159 I HN 0.368 nan 8.210 nan 0.000 0.424 160 F N 1.475 121.376 119.950 -0.081 0.000 2.802 160 F HA -0.069 4.457 4.527 -0.001 0.000 0.300 160 F C 2.359 178.149 175.800 -0.016 0.000 1.168 160 F CA 0.726 58.725 58.000 -0.002 0.000 1.433 160 F CB -0.317 38.755 39.000 0.121 0.000 1.115 160 F HN 0.063 nan 8.300 nan 0.000 0.582 161 Q N -0.333 119.442 119.800 -0.041 0.000 2.096 161 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 161 Q C 2.221 178.119 176.000 -0.171 0.000 0.982 161 Q CA 2.068 57.827 55.803 -0.073 0.000 0.850 161 Q CB -0.111 28.590 28.738 -0.062 0.000 0.901 161 Q HN 0.364 nan 8.270 nan 0.000 0.422 162 S N 0.318 115.900 115.700 -0.197 0.000 2.370 162 S HA -0.148 4.322 4.470 -0.001 0.000 0.226 162 S C 2.052 176.486 174.600 -0.277 0.000 1.033 162 S CA 1.497 59.581 58.200 -0.194 0.000 1.011 162 S CB -0.201 62.907 63.200 -0.153 0.000 0.852 162 S HN 0.393 nan 8.310 nan 0.000 0.457 163 S N 1.139 116.540 115.700 -0.499 0.000 2.371 163 S HA 0.023 4.492 4.470 -0.001 0.000 0.224 163 S C 1.863 176.137 174.600 -0.543 0.000 1.029 163 S CA 1.030 58.862 58.200 -0.613 0.000 0.978 163 S CB -0.328 62.194 63.200 -1.130 0.000 0.833 163 S HN 0.319 nan 8.310 nan 0.000 0.466 164 M N 2.350 121.631 119.600 -0.531 0.000 2.086 164 M HA -0.090 4.390 4.480 -0.001 0.000 0.261 164 M C 2.005 178.200 176.300 -0.175 0.000 1.067 164 M CA 1.586 56.777 55.300 -0.181 0.000 1.116 164 M CB -1.501 31.127 32.600 0.047 0.000 1.348 164 M HN 0.221 nan 8.290 nan 0.000 0.407 165 T N 0.919 115.380 114.554 -0.154 0.000 2.570 165 T HA -0.250 4.100 4.350 -0.001 0.000 0.266 165 T C 1.724 176.348 174.700 -0.126 0.000 1.071 165 T CA 2.249 64.284 62.100 -0.108 0.000 1.172 165 T CB -0.350 68.467 68.868 -0.085 0.000 0.864 165 T HN 0.427 nan 8.240 nan 0.000 0.421 166 K N 0.419 120.730 120.400 -0.148 0.000 1.988 166 K HA -0.144 4.175 4.320 -0.001 0.000 0.221 166 K C 2.207 178.667 176.600 -0.234 0.000 1.053 166 K CA 1.744 57.950 56.287 -0.135 0.000 0.959 166 K CB -0.680 31.751 32.500 -0.115 0.000 0.728 166 K HN 0.145 nan 8.250 nan 0.000 0.447 167 I N 1.313 121.598 120.570 -0.476 0.000 2.182 167 I HA -0.299 3.871 4.170 -0.001 0.000 0.248 167 I C 2.030 177.898 176.117 -0.415 0.000 1.073 167 I CA 1.607 62.409 61.300 -0.830 0.000 1.335 167 I CB -0.279 37.242 38.000 -0.797 0.000 1.031 167 I HN 0.192 nan 8.210 nan 0.000 0.420 168 L N -0.704 120.355 121.223 -0.275 0.000 2.592 168 L HA 0.002 4.341 4.340 -0.001 0.000 0.227 168 L C 2.118 178.951 176.870 -0.062 0.000 1.127 168 L CA 0.030 54.746 54.840 -0.208 0.000 0.884 168 L CB -0.260 41.691 42.059 -0.179 0.000 1.065 168 L HN 0.157 nan 8.230 nan 0.000 0.457 169 E N 1.524 121.710 120.200 -0.024 0.000 2.085 169 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 169 E C -0.604 176.049 176.600 0.087 0.000 0.994 169 E CA 1.622 58.041 56.400 0.033 0.000 0.801 169 E CB -0.854 28.867 29.700 0.035 0.000 0.743 169 E HN 0.288 nan 8.360 nan 0.000 0.453 170 P HA -0.108 nan 4.420 nan 0.000 0.223 170 P C 1.256 178.672 177.300 0.194 0.000 1.151 170 P CA 0.867 64.097 63.100 0.217 0.000 0.787 170 P CB -0.098 31.824 31.700 0.370 0.000 0.788 171 F N 1.265 121.200 119.950 -0.025 0.000 2.416 171 F HA 0.137 4.664 4.527 -0.001 0.000 0.296 171 F C 2.144 177.908 175.800 -0.059 0.000 1.099 171 F CA 1.058 58.997 58.000 -0.102 0.000 1.427 171 F CB -0.084 38.676 39.000 -0.400 0.000 1.079 171 F HN -0.277 nan 8.300 nan 0.000 0.536 172 K N -0.055 120.424 120.400 0.131 0.000 2.296 172 K HA -0.058 4.262 4.320 -0.001 0.000 0.200 172 K C 1.856 178.459 176.600 0.005 0.000 1.048 172 K CA 0.686 57.019 56.287 0.076 0.000 0.966 172 K CB 0.143 32.685 32.500 0.070 0.000 0.754 172 K HN 0.225 nan 8.250 nan 0.000 0.466 173 K N 0.490 120.889 120.400 -0.001 0.000 2.021 173 K HA -0.132 4.187 4.320 -0.001 0.000 0.205 173 K C 2.150 178.719 176.600 -0.051 0.000 1.047 173 K CA 1.028 57.309 56.287 -0.011 0.000 0.943 173 K CB 0.004 32.513 32.500 0.015 0.000 0.725 173 K HN 0.078 nan 8.250 nan 0.000 0.439 174 Q N 1.121 120.865 119.800 -0.093 0.000 2.226 174 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 174 Q C -0.440 175.457 176.000 -0.172 0.000 0.975 174 Q CA 1.229 56.955 55.803 -0.130 0.000 0.866 174 Q CB 0.175 28.816 28.738 -0.161 0.000 0.915 174 Q HN 0.273 nan 8.270 nan 0.000 0.440 175 N N 0.928 119.495 118.700 -0.223 0.000 2.791 175 N HA 0.165 4.904 4.740 -0.001 0.000 0.265 175 N C -2.424 173.038 175.510 -0.080 0.000 1.580 175 N CA -0.949 51.991 53.050 -0.183 0.000 0.809 175 N CB 1.595 39.894 38.487 -0.313 0.000 1.178 175 N HN 0.142 nan 8.380 nan 0.000 0.499 176 P HA -0.038 nan 4.420 nan 0.000 0.244 176 P C -0.476 176.823 177.300 -0.002 0.000 1.211 176 P CA 0.890 63.981 63.100 -0.015 0.000 0.760 176 P CB 0.432 32.122 31.700 -0.016 0.000 0.961 177 D N -0.327 120.073 120.400 -0.001 0.000 2.501 177 D HA 0.270 4.909 4.640 -0.001 0.000 0.224 177 D C 0.651 176.969 176.300 0.031 0.000 1.202 177 D CA -0.027 53.979 54.000 0.010 0.000 0.829 177 D CB 0.891 41.694 40.800 0.004 0.000 1.023 177 D HN 0.284 nan 8.370 nan 0.000 0.499 178 I N 0.431 121.032 120.570 0.051 0.000 2.797 178 I HA 0.315 4.485 4.170 -0.001 0.000 0.307 178 I C -0.263 175.901 176.117 0.078 0.000 1.033 178 I CA -1.086 60.265 61.300 0.085 0.000 1.071 178 I CB 2.714 40.798 38.000 0.141 0.000 1.255 178 I HN -0.389 nan 8.210 nan 0.000 0.445 179 V N 5.306 125.266 119.914 0.078 0.000 2.448 179 V HA 0.473 4.593 4.120 -0.001 0.000 0.295 179 V C -0.288 175.867 176.094 0.100 0.000 1.025 179 V CA -0.614 61.726 62.300 0.067 0.000 0.859 179 V CB 1.784 33.624 31.823 0.029 0.000 0.988 179 V HN 0.346 nan 8.190 nan 0.000 0.431 180 I N 4.633 125.267 120.570 0.107 0.000 2.474 180 I HA 0.507 4.676 4.170 -0.001 0.000 0.294 180 I C -0.975 175.275 176.117 0.223 0.000 1.005 180 I CA -0.717 60.659 61.300 0.126 0.000 1.113 180 I CB 1.679 39.710 38.000 0.052 0.000 1.289 180 I HN 0.697 nan 8.210 nan 0.000 0.436 181 Y N 4.966 125.339 120.300 0.123 0.000 2.421 181 Y HA 0.360 4.909 4.550 -0.001 0.000 0.339 181 Y C -0.470 175.574 175.900 0.241 0.000 0.996 181 Y CA -0.965 57.229 58.100 0.157 0.000 1.046 181 Y CB 1.782 40.327 38.460 0.142 0.000 1.226 181 Y HN 0.630 nan 8.280 nan 0.000 0.445 182 Q N 5.974 125.538 119.800 -0.393 0.000 2.431 182 Q HA 0.277 4.616 4.340 -0.001 0.000 0.249 182 Q C -2.163 173.588 176.000 -0.415 0.000 1.025 182 Q CA -0.690 54.961 55.803 -0.254 0.000 0.835 182 Q CB 0.618 29.292 28.738 -0.106 0.000 1.207 182 Q HN 0.711 nan 8.270 nan 0.000 0.490 183 Y N 6.388 126.546 120.300 -0.237 0.000 2.478 183 Y HA 0.297 4.847 4.550 -0.001 0.000 0.329 183 Y C 0.262 176.209 175.900 0.077 0.000 0.967 183 Y CA -0.277 57.743 58.100 -0.132 0.000 1.255 183 Y CB 0.200 38.673 38.460 0.021 0.000 1.103 183 Y HN 1.000 nan 8.280 nan 0.000 0.497 184 M N 1.322 120.699 119.600 -0.372 0.000 7.319 184 M HA -0.464 4.015 4.480 -0.001 0.000 0.313 184 M C 0.626 176.973 176.300 0.078 0.000 0.480 184 M CA 2.168 57.327 55.300 -0.234 0.000 1.311 184 M CB -0.725 31.712 32.600 -0.271 0.000 0.421 184 M HN 0.569 nan 8.290 nan 0.000 0.852 185 D N 0.805 121.283 120.400 0.130 0.000 2.350 185 D HA 0.030 4.669 4.640 -0.001 0.000 0.216 185 D C -0.088 176.221 176.300 0.015 0.000 0.968 185 D CA 0.986 55.053 54.000 0.112 0.000 0.894 185 D CB -0.191 40.649 40.800 0.066 0.000 0.909 185 D HN 0.273 nan 8.370 nan 0.000 0.520 186 D N -0.241 120.230 120.400 0.119 0.000 2.340 186 D HA 0.454 5.093 4.640 -0.001 0.000 0.251 186 D C -0.239 176.066 176.300 0.009 0.000 1.080 186 D CA -0.464 53.560 54.000 0.041 0.000 0.971 186 D CB 1.661 42.585 40.800 0.207 0.000 1.137 186 D HN -0.067 nan 8.370 nan 0.000 0.475 187 L N 1.220 122.344 121.223 -0.166 0.000 2.464 187 L HA 0.372 4.712 4.340 -0.001 0.000 0.266 187 L C -1.781 174.987 176.870 -0.170 0.000 0.965 187 L CA -0.757 54.044 54.840 -0.065 0.000 0.833 187 L CB 1.301 43.283 42.059 -0.129 0.000 1.296 187 L HN 0.291 nan 8.230 nan 0.000 0.405 188 Y N 4.101 124.448 120.300 0.079 0.000 2.338 188 Y HA 0.510 5.059 4.550 -0.001 0.000 0.328 188 Y C -0.318 175.639 175.900 0.094 0.000 0.965 188 Y CA -0.752 57.421 58.100 0.122 0.000 1.208 188 Y CB 1.986 40.584 38.460 0.230 0.000 1.132 188 Y HN 0.146 nan 8.280 nan 0.000 0.469 189 V N 3.321 123.324 119.914 0.148 0.000 2.357 189 V HA 0.796 4.916 4.120 -0.001 0.000 0.284 189 V C 0.289 176.483 176.094 0.167 0.000 1.018 189 V CA -0.686 61.677 62.300 0.105 0.000 0.841 189 V CB 1.410 33.230 31.823 -0.005 0.000 0.991 189 V HN 0.898 nan 8.190 nan 0.000 0.437 190 G N 2.969 111.864 108.800 0.158 0.000 2.495 190 G HA2 0.750 4.710 3.960 -0.001 0.000 0.318 190 G HA3 0.750 4.710 3.960 -0.001 0.000 0.318 190 G C -0.558 174.434 174.900 0.153 0.000 1.257 190 G CA -0.193 45.001 45.100 0.157 0.000 0.962 190 G HN 0.925 nan 8.290 nan 0.000 0.483 191 S N -0.088 115.721 115.700 0.182 0.000 2.638 191 S HA 0.567 5.036 4.470 -0.001 0.000 0.274 191 S C -0.871 173.773 174.600 0.074 0.000 1.157 191 S CA -0.736 57.557 58.200 0.155 0.000 0.826 191 S CB 2.349 65.713 63.200 0.273 0.000 1.139 191 S HN 0.247 nan 8.310 nan 0.000 0.474 192 D N 0.225 120.657 120.400 0.054 0.000 2.395 192 D HA 0.357 4.997 4.640 -0.001 0.000 0.213 192 D C 0.099 176.414 176.300 0.026 0.000 1.110 192 D CA -0.090 53.918 54.000 0.014 0.000 0.835 192 D CB -0.066 40.733 40.800 -0.001 0.000 0.965 192 D HN 0.267 nan 8.370 nan 0.000 0.505 193 L N 0.984 122.250 121.223 0.072 0.000 2.473 193 L HA 0.111 4.450 4.340 -0.001 0.000 0.265 193 L C 0.902 177.809 176.870 0.061 0.000 1.243 193 L CA 0.058 54.944 54.840 0.076 0.000 0.822 193 L CB 0.203 42.336 42.059 0.123 0.000 1.101 193 L HN -0.150 nan 8.230 nan 0.000 0.507 194 E N 0.365 120.597 120.200 0.054 0.000 2.373 194 E HA 0.001 4.350 4.350 -0.001 0.000 0.267 194 E C 0.931 177.577 176.600 0.077 0.000 1.032 194 E CA 0.041 56.465 56.400 0.040 0.000 0.889 194 E CB 0.430 30.148 29.700 0.031 0.000 0.984 194 E HN 0.392 nan 8.360 nan 0.000 0.425 195 I N 4.185 124.785 120.570 0.050 0.000 2.229 195 I HA -0.222 3.947 4.170 -0.001 0.000 0.250 195 I C 1.619 177.813 176.117 0.128 0.000 1.096 195 I CA 2.591 63.942 61.300 0.083 0.000 1.358 195 I CB -0.659 37.370 38.000 0.049 0.000 1.047 195 I HN 0.665 nan 8.210 nan 0.000 0.422 196 G N -1.017 107.835 108.800 0.087 0.000 2.421 196 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 196 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 196 G C 1.483 176.431 174.900 0.080 0.000 1.143 196 G CA 0.632 45.778 45.100 0.076 0.000 0.784 196 G HN 0.577 nan 8.290 nan 0.000 0.541 197 Q N -0.893 118.959 119.800 0.087 0.000 2.339 197 Q HA 0.046 4.385 4.340 -0.001 0.000 0.205 197 Q C 2.093 178.149 176.000 0.093 0.000 0.925 197 Q CA 0.676 56.523 55.803 0.073 0.000 0.898 197 Q CB -0.077 28.695 28.738 0.057 0.000 1.013 197 Q HN 0.707 nan 8.270 nan 0.000 0.504 198 H N 1.895 120.989 119.070 0.040 0.000 2.290 198 H HA -0.053 4.502 4.556 -0.001 0.000 0.298 198 H C 1.973 177.331 175.328 0.051 0.000 1.087 198 H CA 1.787 57.864 56.048 0.049 0.000 1.291 198 H CB 0.196 29.989 29.762 0.051 0.000 1.369 198 H HN -0.024 nan 8.280 nan 0.000 0.492 199 R N -0.520 120.042 120.500 0.103 0.000 2.170 199 R HA -0.129 4.211 4.340 -0.001 0.000 0.242 199 R C 2.329 178.621 176.300 -0.014 0.000 1.145 199 R CA 1.693 57.815 56.100 0.037 0.000 0.984 199 R CB -0.419 29.937 30.300 0.094 0.000 0.869 199 R HN 0.681 nan 8.270 nan 0.000 0.455 200 T N -1.571 112.985 114.554 0.004 0.000 2.937 200 T HA 0.033 4.382 4.350 -0.001 0.000 0.260 200 T C 1.799 176.510 174.700 0.018 0.000 1.051 200 T CA 0.299 62.408 62.100 0.015 0.000 1.141 200 T CB 0.121 69.005 68.868 0.028 0.000 0.879 200 T HN -0.073 nan 8.240 nan 0.000 0.459 201 K N 0.981 121.380 120.400 -0.001 0.000 2.147 201 K HA 0.081 4.400 4.320 -0.001 0.000 0.205 201 K C 2.193 178.836 176.600 0.070 0.000 1.049 201 K CA 0.617 56.944 56.287 0.067 0.000 0.936 201 K CB -0.417 32.108 32.500 0.043 0.000 0.722 201 K HN 0.400 nan 8.250 nan 0.000 0.446 202 I N 1.146 121.660 120.570 -0.095 0.000 2.252 202 I HA -0.184 3.986 4.170 -0.001 0.000 0.245 202 I C 2.164 178.243 176.117 -0.064 0.000 1.102 202 I CA 1.123 62.345 61.300 -0.130 0.000 1.385 202 I CB -0.841 37.053 38.000 -0.177 0.000 1.064 202 I HN 0.168 nan 8.210 nan 0.000 0.414 203 E N 1.086 121.273 120.200 -0.022 0.000 2.274 203 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 203 E C 1.880 178.512 176.600 0.052 0.000 0.996 203 E CA 0.726 57.129 56.400 0.004 0.000 0.840 203 E CB 0.187 29.893 29.700 0.009 0.000 0.772 203 E HN 0.563 nan 8.360 nan 0.000 0.491 204 E N -0.057 120.210 120.200 0.111 0.000 2.299 204 E HA -0.017 4.332 4.350 -0.001 0.000 0.193 204 E C 2.128 178.905 176.600 0.294 0.000 0.998 204 E CA 0.024 56.544 56.400 0.200 0.000 0.851 204 E CB 0.214 30.051 29.700 0.228 0.000 0.795 204 E HN 0.183 nan 8.360 nan 0.000 0.492 205 L N 0.802 122.114 121.223 0.149 0.000 2.162 205 L HA -0.042 4.297 4.340 -0.001 0.000 0.205 205 L C 2.344 179.151 176.870 -0.104 0.000 1.086 205 L CA 0.812 55.519 54.840 -0.222 0.000 0.778 205 L CB 0.071 41.717 42.059 -0.689 0.000 0.928 205 L HN 0.002 nan 8.230 nan 0.000 0.446 206 R N -0.556 119.908 120.500 -0.059 0.000 2.081 206 R HA -0.199 4.141 4.340 -0.001 0.000 0.235 206 R C 2.231 178.551 176.300 0.033 0.000 1.131 206 R CA 1.706 57.781 56.100 -0.041 0.000 0.960 206 R CB -0.295 29.979 30.300 -0.044 0.000 0.856 206 R HN 0.502 nan 8.270 nan 0.000 0.436 207 Q N -0.723 119.121 119.800 0.074 0.000 2.050 207 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 207 Q C 1.943 178.043 176.000 0.168 0.000 0.980 207 Q CA 1.662 57.524 55.803 0.099 0.000 0.840 207 Q CB -0.216 28.578 28.738 0.093 0.000 0.898 207 Q HN 0.527 nan 8.270 nan 0.000 0.424 208 H N 0.163 119.305 119.070 0.120 0.000 2.426 208 H HA -0.116 4.439 4.556 -0.001 0.000 0.298 208 H C 1.666 177.149 175.328 0.259 0.000 1.107 208 H CA 1.232 57.404 56.048 0.208 0.000 1.298 208 H CB 0.147 30.022 29.762 0.188 0.000 1.377 208 H HN 0.139 nan 8.280 nan 0.000 0.519 209 L N -0.657 120.736 121.223 0.282 0.000 2.341 209 L HA -0.076 4.263 4.340 -0.001 0.000 0.214 209 L C 1.716 178.733 176.870 0.246 0.000 1.115 209 L CA -0.044 54.913 54.840 0.194 0.000 0.820 209 L CB 0.024 42.088 42.059 0.007 0.000 0.944 209 L HN 0.261 nan 8.230 nan 0.000 0.452 210 L N -0.403 120.932 121.223 0.187 0.000 2.141 210 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 210 L C 2.472 179.428 176.870 0.144 0.000 1.094 210 L CA 1.464 56.381 54.840 0.128 0.000 0.763 210 L CB -0.635 41.467 42.059 0.073 0.000 0.908 210 L HN 0.099 nan 8.230 nan 0.000 0.437 211 R N -1.724 118.882 120.500 0.177 0.000 2.377 211 R HA -0.186 4.154 4.340 -0.001 0.000 0.207 211 R C 0.727 176.909 176.300 -0.196 0.000 1.075 211 R CA 1.003 57.079 56.100 -0.041 0.000 1.035 211 R CB -0.139 30.059 30.300 -0.170 0.000 0.857 211 R HN 0.421 nan 8.270 nan 0.000 0.475 212 W N -1.405 119.915 121.300 0.032 0.000 2.555 212 W HA 0.333 4.992 4.660 -0.001 0.000 0.324 212 W C 0.589 177.136 176.519 0.047 0.000 0.973 212 W CA 0.187 57.563 57.345 0.051 0.000 1.481 212 W CB 0.490 30.000 29.460 0.083 0.000 1.064 212 W HN 0.025 nan 8.180 nan 0.000 0.543 213 G N 1.945 110.879 108.800 0.224 0.000 2.520 213 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.264 213 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.264 213 G C -0.810 174.150 174.900 0.101 0.000 1.140 213 G CA -0.527 44.653 45.100 0.135 0.000 1.012 213 G HN 0.156 nan 8.290 nan 0.000 0.511 214 L N 0.801 122.066 121.223 0.070 0.000 2.427 214 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 214 L C 0.438 177.292 176.870 -0.027 0.000 0.989 214 L CA -0.885 53.949 54.840 -0.010 0.000 0.865 214 L CB 1.650 43.675 42.059 -0.058 0.000 1.209 214 L HN 0.131 nan 8.230 nan 0.000 0.430 215 T N 1.285 115.823 114.554 -0.025 0.000 2.754 215 T HA 0.066 4.415 4.350 -0.001 0.000 0.282 215 T C 0.675 175.336 174.700 -0.065 0.000 0.923 215 T CA 0.442 62.526 62.100 -0.027 0.000 1.164 215 T CB -0.092 68.775 68.868 -0.002 0.000 0.873 215 T HN 0.466 nan 8.240 nan 0.000 0.537 216 T N 6.627 121.140 114.554 -0.069 0.000 3.355 216 T HA 0.291 4.641 4.350 -0.001 0.000 0.376 216 T C -1.675 172.972 174.700 -0.090 0.000 1.683 216 T CA -1.163 60.877 62.100 -0.100 0.000 1.269 216 T CB 0.194 68.996 68.868 -0.110 0.000 1.158 216 T HN 0.389 nan 8.240 nan 0.000 0.703 232 Y N 1.763 122.078 120.300 0.025 0.000 2.498 232 Y HA 0.361 4.911 4.550 -0.001 0.000 0.259 232 Y C 0.943 176.836 175.900 -0.012 0.000 1.086 232 Y CA -0.357 57.746 58.100 0.005 0.000 1.287 232 Y CB 0.620 39.075 38.460 -0.008 0.000 1.146 232 Y HN 0.052 nan 8.280 nan 0.000 0.523 233 E N 1.005 121.289 120.200 0.141 0.000 2.383 233 E HA 0.171 4.520 4.350 -0.001 0.000 0.264 233 E C -0.820 175.623 176.600 -0.262 0.000 1.050 233 E CA -0.161 56.213 56.400 -0.044 0.000 0.896 233 E CB 1.592 31.271 29.700 -0.035 0.000 0.982 233 E HN 0.065 nan 8.360 nan 0.000 0.424 234 L N 1.836 122.860 121.223 -0.332 0.000 2.332 234 L HA 0.277 4.616 4.340 -0.001 0.000 0.269 234 L C 0.012 176.448 176.870 -0.723 0.000 1.016 234 L CA -0.400 54.272 54.840 -0.280 0.000 0.809 234 L CB 0.918 43.022 42.059 0.074 0.000 1.280 234 L HN 0.433 nan 8.230 nan 0.000 0.447 235 H N 0.952 119.955 119.070 -0.111 0.000 2.562 235 H HA 0.205 4.760 4.556 -0.001 0.000 0.230 235 H C -2.131 172.697 175.328 -0.834 0.000 1.415 235 H CA -1.414 54.442 56.048 -0.320 0.000 1.454 235 H CB 0.768 30.449 29.762 -0.135 0.000 1.716 235 H HN 0.332 nan 8.280 nan 0.000 0.538 236 P HA -0.167 nan 4.420 nan 0.000 0.218 236 P C 0.794 177.650 177.300 -0.740 0.000 1.146 236 P CA 1.454 63.671 63.100 -1.472 0.000 0.820 236 P CB 0.465 31.645 31.700 -0.866 0.000 0.778 237 D N -1.681 118.469 120.400 -0.417 0.000 2.323 237 D HA -0.018 4.622 4.640 -0.001 0.000 0.209 237 D C 1.257 177.493 176.300 -0.106 0.000 0.973 237 D CA 0.802 54.684 54.000 -0.197 0.000 0.874 237 D CB -0.211 40.507 40.800 -0.137 0.000 0.930 237 D HN 0.184 nan 8.370 nan 0.000 0.521 238 K N -0.305 120.028 120.400 -0.112 0.000 2.397 238 K HA 0.069 4.388 4.320 -0.001 0.000 0.202 238 K C -0.417 176.333 176.600 0.250 0.000 1.022 238 K CA -0.316 56.004 56.287 0.055 0.000 1.141 238 K CB 0.487 33.033 32.500 0.077 0.000 0.857 238 K HN 0.048 nan 8.250 nan 0.000 0.514 239 W N 2.691 124.032 121.300 0.067 0.000 2.332 239 W HA 0.144 4.803 4.660 -0.001 0.000 0.306 239 W C 0.315 176.873 176.519 0.065 0.000 1.149 239 W CA -1.082 56.310 57.345 0.078 0.000 1.271 239 W CB 0.283 29.785 29.460 0.072 0.000 1.243 239 W HN -0.079 nan 8.180 nan 0.000 0.459 240 T N -0.553 114.164 114.554 0.271 0.000 2.767 240 T HA 0.440 4.789 4.350 -0.001 0.000 0.284 240 T C -0.349 174.431 174.700 0.133 0.000 0.973 240 T CA -0.811 61.391 62.100 0.170 0.000 0.996 240 T CB 1.699 70.644 68.868 0.128 0.000 0.927 240 T HN 0.056 nan 8.240 nan 0.000 0.456 241 V N 4.723 124.709 119.914 0.120 0.000 2.229 241 V HA 0.145 4.264 4.120 -0.001 0.000 0.245 241 V C 0.630 176.773 176.094 0.082 0.000 1.243 241 V CA -0.697 61.657 62.300 0.090 0.000 1.176 241 V CB -1.096 30.793 31.823 0.110 0.000 1.323 241 V HN 0.992 nan 8.190 nan 0.000 0.499 242 Q N 6.570 126.405 119.800 0.058 0.000 2.286 242 Q HA 0.401 4.740 4.340 -0.001 0.000 0.267 242 Q C -2.193 173.877 176.000 0.116 0.000 1.028 242 Q CA -1.021 54.830 55.803 0.080 0.000 0.901 242 Q CB 0.385 29.163 28.738 0.066 0.000 1.183 242 Q HN 0.440 nan 8.270 nan 0.000 0.392 243 P HA 0.275 nan 4.420 nan 0.000 0.297 243 P C -0.306 177.136 177.300 0.236 0.000 1.307 243 P CA -0.784 62.443 63.100 0.211 0.000 0.773 243 P CB 0.781 32.596 31.700 0.191 0.000 1.265 244 I N -2.131 118.606 120.570 0.278 0.000 2.532 244 I HA 0.569 4.739 4.170 -0.001 0.000 0.292 244 I C -0.149 176.077 176.117 0.182 0.000 1.014 244 I CA -0.831 60.626 61.300 0.262 0.000 1.340 244 I CB 1.346 39.523 38.000 0.296 0.000 1.422 244 I HN 0.039 nan 8.210 nan 0.000 0.528 245 V N 6.522 126.531 119.914 0.160 0.000 3.007 245 V HA 0.546 4.665 4.120 -0.001 0.000 0.311 245 V C -0.563 175.602 176.094 0.118 0.000 1.120 245 V CA -0.783 61.587 62.300 0.118 0.000 0.980 245 V CB 2.414 34.297 31.823 0.100 0.000 1.033 245 V HN 0.728 nan 8.190 nan 0.000 0.429 246 L N 6.237 127.521 121.223 0.103 0.000 2.322 246 L HA 0.592 4.931 4.340 -0.001 0.000 0.279 246 L C -1.930 175.021 176.870 0.134 0.000 1.036 246 L CA -1.653 53.259 54.840 0.119 0.000 0.807 246 L CB 1.671 43.789 42.059 0.099 0.000 1.226 246 L HN 0.571 nan 8.230 nan 0.000 0.433 247 P HA 0.060 nan 4.420 nan 0.000 0.272 247 P C -0.882 176.550 177.300 0.220 0.000 1.240 247 P CA -0.282 62.911 63.100 0.154 0.000 0.791 247 P CB 1.115 32.893 31.700 0.129 0.000 0.978 248 E N 1.859 122.128 120.200 0.115 0.000 2.255 248 E HA 0.194 4.543 4.350 -0.001 0.000 0.245 248 E C -0.749 175.820 176.600 -0.051 0.000 0.909 248 E CA -0.496 55.974 56.400 0.115 0.000 0.747 248 E CB 0.595 30.342 29.700 0.078 0.000 1.215 248 E HN 0.252 nan 8.360 nan 0.000 0.424 249 K N 2.348 122.601 120.400 -0.245 0.000 2.156 249 K HA 0.280 4.600 4.320 -0.001 0.000 0.254 249 K C 0.511 176.843 176.600 -0.446 0.000 0.950 249 K CA -0.598 55.327 56.287 -0.603 0.000 0.849 249 K CB 1.459 33.144 32.500 -1.359 0.000 1.100 249 K HN 0.353 nan 8.250 nan 0.000 0.434 250 D N 0.471 120.674 120.400 -0.328 0.000 2.106 250 D HA -0.044 4.595 4.640 -0.001 0.000 0.203 250 D C -0.059 176.130 176.300 -0.185 0.000 0.977 250 D CA 1.216 55.119 54.000 -0.163 0.000 0.844 250 D CB 0.275 41.008 40.800 -0.111 0.000 1.002 250 D HN 0.268 nan 8.370 nan 0.000 0.461 251 S N 0.079 115.612 115.700 -0.277 0.000 2.451 251 S HA 0.318 4.788 4.470 -0.001 0.000 0.301 251 S C -0.921 173.463 174.600 -0.359 0.000 1.116 251 S CA -0.732 57.359 58.200 -0.180 0.000 1.093 251 S CB 1.159 64.304 63.200 -0.092 0.000 1.017 251 S HN 0.125 nan 8.310 nan 0.000 0.482 252 W N 2.223 123.523 121.300 -0.000 0.000 2.391 252 W HA 0.440 5.099 4.660 -0.001 0.000 0.311 252 W C 1.014 177.533 176.519 -0.000 0.000 1.087 252 W CA -0.612 56.733 57.345 0.000 0.000 1.209 252 W CB 0.817 30.278 29.460 0.002 0.000 1.273 252 W HN 0.636 nan 8.180 nan 0.000 0.482 253 T N -1.003 113.642 114.554 0.151 0.000 2.847 253 T HA 0.220 4.569 4.350 -0.001 0.000 0.279 253 T C 0.859 175.640 174.700 0.135 0.000 0.984 253 T CA -0.698 61.463 62.100 0.101 0.000 0.988 253 T CB 1.315 70.207 68.868 0.040 0.000 1.040 253 T HN 0.220 nan 8.240 nan 0.000 0.528 254 V N 2.076 122.043 119.914 0.088 0.000 2.407 254 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 254 V C 2.895 179.036 176.094 0.078 0.000 1.055 254 V CA 2.145 64.491 62.300 0.077 0.000 1.049 254 V CB -1.256 30.596 31.823 0.049 0.000 0.662 254 V HN 0.992 nan 8.190 nan 0.000 0.455 255 N N 0.412 119.152 118.700 0.067 0.000 2.058 255 N HA -0.226 4.514 4.740 -0.001 0.000 0.191 255 N C 1.508 177.072 175.510 0.090 0.000 1.037 255 N CA 2.052 55.137 53.050 0.059 0.000 0.848 255 N CB -0.055 38.454 38.487 0.036 0.000 1.021 255 N HN 0.478 nan 8.380 nan 0.000 0.422 256 D N 0.901 121.380 120.400 0.131 0.000 2.104 256 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 256 D C 1.851 178.317 176.300 0.275 0.000 0.994 256 D CA 0.684 54.817 54.000 0.222 0.000 0.830 256 D CB -0.413 40.559 40.800 0.287 0.000 0.959 256 D HN 0.334 nan 8.370 nan 0.000 0.452 257 I N 0.632 121.352 120.570 0.251 0.000 2.454 257 I HA -0.245 3.925 4.170 -0.001 0.000 0.254 257 I C 1.772 177.930 176.117 0.068 0.000 1.156 257 I CA 1.407 62.773 61.300 0.112 0.000 1.433 257 I CB -0.222 37.813 38.000 0.058 0.000 1.082 257 I HN 0.030 nan 8.210 nan 0.000 0.432 258 Q N 0.330 120.178 119.800 0.080 0.000 1.946 258 Q HA -0.199 4.141 4.340 -0.001 0.000 0.199 258 Q C 2.251 178.292 176.000 0.068 0.000 0.979 258 Q CA 1.683 57.522 55.803 0.060 0.000 0.834 258 Q CB -0.313 28.456 28.738 0.052 0.000 0.899 258 Q HN 0.456 nan 8.270 nan 0.000 0.431 259 K N 0.578 121.023 120.400 0.075 0.000 2.071 259 K HA -0.255 4.065 4.320 -0.001 0.000 0.217 259 K C 2.145 178.801 176.600 0.094 0.000 1.054 259 K CA 1.519 57.849 56.287 0.072 0.000 0.937 259 K CB -0.468 32.069 32.500 0.062 0.000 0.719 259 K HN 0.056 nan 8.250 nan 0.000 0.454 260 L N 1.108 122.395 121.223 0.107 0.000 1.963 260 L HA -0.252 4.088 4.340 -0.001 0.000 0.220 260 L C 2.185 179.103 176.870 0.080 0.000 1.076 260 L CA 1.666 56.564 54.840 0.095 0.000 0.772 260 L CB -0.610 41.478 42.059 0.048 0.000 0.892 260 L HN -0.011 nan 8.230 nan 0.000 0.435 261 V N 0.146 120.091 119.914 0.052 0.000 2.324 261 V HA -0.312 3.807 4.120 -0.001 0.000 0.250 261 V C 2.629 178.780 176.094 0.094 0.000 1.060 261 V CA 1.912 64.242 62.300 0.050 0.000 1.042 261 V CB -1.834 30.008 31.823 0.031 0.000 0.650 261 V HN 0.702 nan 8.190 nan 0.000 0.450 262 G N -0.468 108.397 108.800 0.108 0.000 2.529 262 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.219 262 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.219 262 G C 1.659 176.704 174.900 0.242 0.000 1.177 262 G CA 1.446 46.636 45.100 0.149 0.000 0.773 262 G HN 0.514 nan 8.290 nan 0.000 0.573 263 K N -0.099 120.457 120.400 0.260 0.000 2.025 263 K HA 0.095 4.414 4.320 -0.001 0.000 0.207 263 K C 2.651 179.464 176.600 0.354 0.000 1.049 263 K CA 0.762 57.294 56.287 0.408 0.000 0.933 263 K CB -0.274 32.432 32.500 0.343 0.000 0.714 263 K HN 0.347 nan 8.250 nan 0.000 0.438 264 L N 1.151 122.493 121.223 0.197 0.000 2.042 264 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 264 L C 2.385 179.298 176.870 0.072 0.000 1.076 264 L CA 1.604 56.510 54.840 0.110 0.000 0.749 264 L CB -0.705 41.383 42.059 0.048 0.000 0.893 264 L HN 0.355 nan 8.230 nan 0.000 0.432 265 N N -0.484 118.270 118.700 0.090 0.000 2.166 265 N HA -0.267 4.472 4.740 -0.001 0.000 0.186 265 N C 1.677 177.200 175.510 0.022 0.000 1.019 265 N CA 1.375 54.451 53.050 0.044 0.000 0.856 265 N CB -0.262 38.264 38.487 0.066 0.000 0.993 265 N HN 0.392 nan 8.380 nan 0.000 0.426 266 W N 1.057 122.329 121.300 -0.046 0.000 2.408 266 W HA 0.144 4.804 4.660 -0.001 0.000 0.311 266 W C 2.144 178.562 176.519 -0.168 0.000 1.190 266 W CA 1.925 59.197 57.345 -0.122 0.000 1.321 266 W CB -0.838 28.543 29.460 -0.132 0.000 1.143 266 W HN 0.103 nan 8.180 nan 0.000 0.501 267 A N -0.185 122.437 122.820 -0.331 0.000 2.225 267 A HA -0.152 4.167 4.320 -0.001 0.000 0.215 267 A C 1.967 179.335 177.584 -0.360 0.000 1.164 267 A CA 1.788 53.507 52.037 -0.528 0.000 0.710 267 A CB -1.236 17.763 19.000 -0.003 0.000 0.780 267 A HN 0.332 nan 8.150 nan 0.000 0.473 268 S N -0.523 114.992 115.700 -0.309 0.000 2.481 268 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 268 S C 1.746 176.132 174.600 -0.356 0.000 0.996 268 S CA 1.176 59.241 58.200 -0.225 0.000 0.942 268 S CB -0.349 62.757 63.200 -0.157 0.000 0.768 268 S HN 0.741 nan 8.310 nan 0.000 0.520 269 Q N -0.072 119.346 119.800 -0.636 0.000 2.432 269 Q HA 0.111 4.450 4.340 -0.001 0.000 0.205 269 Q C 1.411 176.977 176.000 -0.723 0.000 0.945 269 Q CA 0.397 55.699 55.803 -0.835 0.000 0.924 269 Q CB 0.081 27.906 28.738 -1.522 0.000 1.016 269 Q HN 0.501 nan 8.270 nan 0.000 0.503 270 I N -0.301 119.910 120.570 -0.598 0.000 2.490 270 I HA -0.066 4.103 4.170 -0.001 0.000 0.234 270 I C 0.548 176.373 176.117 -0.486 0.000 1.066 270 I CA 1.000 61.970 61.300 -0.551 0.000 1.405 270 I CB -0.731 36.833 38.000 -0.726 0.000 1.191 270 I HN 0.020 nan 8.210 nan 0.000 0.433 271 Y N 2.067 122.266 120.300 -0.169 0.000 2.330 271 Y HA 0.347 4.897 4.550 -0.001 0.000 0.336 271 Y C -1.466 174.355 175.900 -0.130 0.000 1.036 271 Y CA -2.760 55.273 58.100 -0.110 0.000 1.125 271 Y CB -0.220 38.193 38.460 -0.079 0.000 1.194 271 Y HN 0.076 nan 8.280 nan 0.000 0.469 272 P HA -0.025 nan 4.420 nan 0.000 0.231 272 P C 1.201 178.491 177.300 -0.016 0.000 1.168 272 P CA 1.130 64.217 63.100 -0.023 0.000 0.779 272 P CB 0.293 31.974 31.700 -0.032 0.000 0.844 273 G N 0.748 109.552 108.800 0.006 0.000 2.421 273 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.217 273 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.217 273 G C 0.884 175.758 174.900 -0.043 0.000 1.143 273 G CA -0.036 45.049 45.100 -0.025 0.000 0.784 273 G HN 0.139 nan 8.290 nan 0.000 0.541 274 I N 1.257 121.801 120.570 -0.043 0.000 2.742 274 I HA 0.124 4.293 4.170 -0.001 0.000 0.287 274 I C 0.080 176.168 176.117 -0.048 0.000 1.186 274 I CA 0.256 61.523 61.300 -0.056 0.000 1.417 274 I CB 0.450 38.422 38.000 -0.048 0.000 1.377 274 I HN -0.055 nan 8.210 nan 0.000 0.556 275 K N 4.470 124.840 120.400 -0.050 0.000 2.221 275 K HA 0.527 4.846 4.320 -0.001 0.000 0.243 275 K C 0.274 176.847 176.600 -0.044 0.000 0.968 275 K CA -0.523 55.738 56.287 -0.044 0.000 0.846 275 K CB 2.383 34.857 32.500 -0.043 0.000 1.141 275 K HN 0.293 nan 8.250 nan 0.000 0.434 276 V N 1.951 121.842 119.914 -0.039 0.000 3.400 276 V HA 0.068 4.187 4.120 -0.001 0.000 0.281 276 V C 0.872 176.943 176.094 -0.037 0.000 1.617 276 V CA 0.111 62.388 62.300 -0.039 0.000 1.044 276 V CB 0.174 31.981 31.823 -0.026 0.000 0.858 276 V HN 0.621 nan 8.190 nan 0.000 0.425 277 R N 0.384 120.865 120.500 -0.033 0.000 2.211 277 R HA -0.204 4.135 4.340 -0.001 0.000 0.240 277 R C 1.854 178.135 176.300 -0.033 0.000 1.144 277 R CA 1.841 57.923 56.100 -0.029 0.000 0.992 277 R CB -0.487 29.797 30.300 -0.027 0.000 0.869 277 R HN 0.562 nan 8.270 nan 0.000 0.462 278 Q N 0.169 119.945 119.800 -0.040 0.000 2.212 278 Q HA 0.098 4.437 4.340 -0.001 0.000 0.199 278 Q C 1.902 177.869 176.000 -0.054 0.000 0.950 278 Q CA 0.774 56.550 55.803 -0.045 0.000 0.863 278 Q CB 0.106 28.815 28.738 -0.049 0.000 0.944 278 Q HN 0.270 nan 8.270 nan 0.000 0.465 279 L N -0.457 120.728 121.223 -0.063 0.000 2.418 279 L HA 0.045 4.384 4.340 -0.001 0.000 0.218 279 L C 2.180 179.018 176.870 -0.054 0.000 1.125 279 L CA 0.628 55.421 54.840 -0.078 0.000 0.835 279 L CB -0.139 41.860 42.059 -0.100 0.000 0.953 279 L HN 0.175 nan 8.230 nan 0.000 0.454 280 S N 0.038 115.716 115.700 -0.037 0.000 2.371 280 S HA -0.145 4.324 4.470 -0.001 0.000 0.224 280 S C 1.955 176.544 174.600 -0.018 0.000 1.029 280 S CA 1.106 59.292 58.200 -0.023 0.000 0.978 280 S CB 0.044 63.234 63.200 -0.017 0.000 0.833 280 S HN 0.296 nan 8.310 nan 0.000 0.466 281 K N 0.346 120.733 120.400 -0.021 0.000 2.360 281 K HA -0.065 4.255 4.320 -0.001 0.000 0.201 281 K C 1.648 178.239 176.600 -0.014 0.000 1.046 281 K CA 0.817 57.094 56.287 -0.016 0.000 0.940 281 K CB -0.245 32.244 32.500 -0.018 0.000 0.748 281 K HN 0.306 nan 8.250 nan 0.000 0.465 282 L N 0.382 121.593 121.223 -0.020 0.000 2.093 282 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 282 L C 1.957 178.826 176.870 -0.002 0.000 1.085 282 L CA 1.408 56.239 54.840 -0.014 0.000 0.755 282 L CB -0.292 41.752 42.059 -0.026 0.000 0.904 282 L HN 0.131 nan 8.230 nan 0.000 0.435 283 L N -1.135 120.087 121.223 -0.000 0.000 2.313 283 L HA -0.015 4.325 4.340 -0.001 0.000 0.214 283 L C 0.818 177.693 176.870 0.007 0.000 1.119 283 L CA -0.095 54.750 54.840 0.008 0.000 0.809 283 L CB -0.362 41.703 42.059 0.011 0.000 0.933 283 L HN 0.116 nan 8.230 nan 0.000 0.449 284 R N 1.753 122.255 120.500 0.003 0.000 2.695 284 R HA 0.105 4.445 4.340 -0.001 0.000 0.304 284 R C 0.433 176.736 176.300 0.005 0.000 0.836 284 R CA 0.850 56.952 56.100 0.003 0.000 1.135 284 R CB -0.842 29.458 30.300 -0.000 0.000 0.882 284 R HN 0.356 nan 8.270 nan 0.000 0.413 285 G N 1.983 110.786 108.800 0.006 0.000 3.355 285 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.686 285 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.686 285 G C 0.006 174.911 174.900 0.009 0.000 1.097 285 G CA -0.502 44.602 45.100 0.007 0.000 0.881 285 G HN 0.701 nan 8.290 nan 0.000 0.550 286 T N 0.369 114.929 114.554 0.009 0.000 2.695 286 T HA 0.379 4.729 4.350 -0.001 0.000 0.264 286 T C 0.753 175.459 174.700 0.011 0.000 0.993 286 T CA 0.795 62.901 62.100 0.010 0.000 1.248 286 T CB 0.482 69.355 68.868 0.009 0.000 0.946 286 T HN 0.733 nan 8.240 nan 0.000 0.526 287 K N 2.073 122.481 120.400 0.013 0.000 2.531 287 K HA 0.788 5.108 4.320 -0.001 0.000 0.265 287 K C -0.021 176.588 176.600 0.015 0.000 1.045 287 K CA -1.172 55.123 56.287 0.014 0.000 1.040 287 K CB 1.115 33.626 32.500 0.017 0.000 1.436 287 K HN 0.651 nan 8.250 nan 0.000 0.571 288 A N 0.659 123.489 122.820 0.016 0.000 2.337 288 A HA 0.331 4.650 4.320 -0.001 0.000 0.329 288 A C 0.534 178.129 177.584 0.019 0.000 1.146 288 A CA -0.467 51.579 52.037 0.015 0.000 0.800 288 A CB 0.669 19.677 19.000 0.012 0.000 1.220 288 A HN 0.533 nan 8.150 nan 0.000 0.472 289 L N 1.717 122.950 121.223 0.017 0.000 2.012 289 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 289 L C 2.803 179.685 176.870 0.021 0.000 1.073 289 L CA 2.904 57.756 54.840 0.020 0.000 0.748 289 L CB -0.754 41.314 42.059 0.015 0.000 0.891 289 L HN 0.898 nan 8.230 nan 0.000 0.431 290 T N -3.326 111.236 114.554 0.013 0.000 3.118 290 T HA -0.090 4.259 4.350 -0.001 0.000 0.260 290 T C 0.863 175.572 174.700 0.014 0.000 1.139 290 T CA -0.169 61.937 62.100 0.010 0.000 1.085 290 T CB -0.539 68.331 68.868 0.002 0.000 0.934 290 T HN 0.328 nan 8.240 nan 0.000 0.518 291 E N 1.960 122.172 120.200 0.020 0.000 2.406 291 E HA 0.180 4.530 4.350 -0.001 0.000 0.258 291 E C -0.532 176.089 176.600 0.036 0.000 1.043 291 E CA -0.379 56.035 56.400 0.024 0.000 0.929 291 E CB 0.432 30.147 29.700 0.024 0.000 0.969 291 E HN 0.152 nan 8.360 nan 0.000 0.462 292 V N 6.326 126.260 119.914 0.033 0.000 2.811 292 V HA 0.151 4.270 4.120 -0.001 0.000 0.302 292 V C 0.561 176.693 176.094 0.062 0.000 1.063 292 V CA 0.155 62.484 62.300 0.049 0.000 1.088 292 V CB 0.827 32.669 31.823 0.032 0.000 0.982 292 V HN 0.578 nan 8.190 nan 0.000 0.485 293 I N 5.525 126.153 120.570 0.097 0.000 2.466 293 I HA 0.379 4.548 4.170 -0.001 0.000 0.289 293 I C -2.220 173.962 176.117 0.108 0.000 1.026 293 I CA -1.951 59.402 61.300 0.089 0.000 1.078 293 I CB 2.483 40.534 38.000 0.084 0.000 1.249 293 I HN 0.497 nan 8.210 nan 0.000 0.429 294 P HA -0.025 nan 4.420 nan 0.000 0.265 294 P C -0.526 176.816 177.300 0.070 0.000 1.193 294 P CA -0.408 62.736 63.100 0.072 0.000 0.765 294 P CB 1.123 32.848 31.700 0.043 0.000 0.823 295 L N 3.981 125.260 121.223 0.093 0.000 2.505 295 L HA 0.110 4.449 4.340 -0.001 0.000 0.279 295 L C 0.976 177.849 176.870 0.004 0.000 1.211 295 L CA 0.396 55.265 54.840 0.048 0.000 1.059 295 L CB -1.199 40.931 42.059 0.119 0.000 1.340 295 L HN 0.469 nan 8.230 nan 0.000 0.447 296 T N 1.405 115.946 114.554 -0.021 0.000 2.795 296 T HA 0.019 4.369 4.350 -0.001 0.000 0.314 296 T C 1.185 175.865 174.700 -0.033 0.000 1.069 296 T CA -0.187 61.900 62.100 -0.023 0.000 1.071 296 T CB 0.653 69.505 68.868 -0.027 0.000 0.988 296 T HN 0.648 nan 8.240 nan 0.000 0.543 297 E N 1.834 122.019 120.200 -0.024 0.000 2.216 297 E HA -0.015 4.335 4.350 -0.001 0.000 0.192 297 E C 2.039 178.618 176.600 -0.035 0.000 0.988 297 E CA 0.752 57.137 56.400 -0.026 0.000 0.834 297 E CB -0.090 29.601 29.700 -0.016 0.000 0.772 297 E HN 0.700 nan 8.360 nan 0.000 0.479 298 E N 0.906 121.085 120.200 -0.036 0.000 2.153 298 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 298 E C 1.766 178.334 176.600 -0.054 0.000 0.988 298 E CA 1.184 57.560 56.400 -0.039 0.000 0.811 298 E CB -0.133 29.546 29.700 -0.035 0.000 0.746 298 E HN 0.247 nan 8.360 nan 0.000 0.466 299 A N 0.726 123.504 122.820 -0.069 0.000 1.850 299 A HA -0.103 4.216 4.320 -0.001 0.000 0.212 299 A C 1.948 179.468 177.584 -0.106 0.000 1.208 299 A CA 0.883 52.859 52.037 -0.102 0.000 0.609 299 A CB -0.371 18.547 19.000 -0.136 0.000 0.860 299 A HN 0.053 nan 8.150 nan 0.000 0.448 300 E N -0.299 119.845 120.200 -0.094 0.000 2.136 300 E HA -0.268 4.081 4.350 -0.001 0.000 0.202 300 E C 1.913 178.477 176.600 -0.059 0.000 1.019 300 E CA 1.666 58.021 56.400 -0.075 0.000 0.819 300 E CB -0.510 29.166 29.700 -0.041 0.000 0.739 300 E HN 0.505 nan 8.360 nan 0.000 0.458 301 L N 1.254 122.446 121.223 -0.051 0.000 1.973 301 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 301 L C 2.301 179.139 176.870 -0.052 0.000 1.073 301 L CA 2.074 56.888 54.840 -0.043 0.000 0.746 301 L CB -0.507 41.529 42.059 -0.037 0.000 0.891 301 L HN 0.014 nan 8.230 nan 0.000 0.433 302 E N -0.734 119.430 120.200 -0.060 0.000 2.204 302 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 302 E C 2.303 178.857 176.600 -0.077 0.000 0.990 302 E CA 1.084 57.445 56.400 -0.065 0.000 0.821 302 E CB -0.167 29.494 29.700 -0.065 0.000 0.750 302 E HN 0.589 nan 8.360 nan 0.000 0.477 303 L N 0.029 121.196 121.223 -0.094 0.000 2.005 303 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 303 L C 2.359 179.183 176.870 -0.075 0.000 1.072 303 L CA 1.517 56.291 54.840 -0.110 0.000 0.744 303 L CB -0.273 41.687 42.059 -0.166 0.000 0.895 303 L HN 0.158 nan 8.230 nan 0.000 0.433 304 A N -0.765 122.020 122.820 -0.059 0.000 1.930 304 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 304 A C 2.137 179.693 177.584 -0.046 0.000 1.175 304 A CA 1.651 53.665 52.037 -0.039 0.000 0.627 304 A CB -0.599 18.385 19.000 -0.027 0.000 0.815 304 A HN 0.588 nan 8.150 nan 0.000 0.443 305 E N 0.038 120.207 120.200 -0.052 0.000 2.097 305 E HA -0.236 4.114 4.350 -0.001 0.000 0.196 305 E C 1.616 178.174 176.600 -0.070 0.000 1.000 305 E CA 1.513 57.880 56.400 -0.056 0.000 0.804 305 E CB -0.084 29.583 29.700 -0.054 0.000 0.740 305 E HN 0.598 nan 8.360 nan 0.000 0.454 306 N N 0.154 118.809 118.700 -0.075 0.000 2.250 306 N HA -0.111 4.629 4.740 -0.001 0.000 0.181 306 N C 1.734 177.183 175.510 -0.101 0.000 1.017 306 N CA 0.549 53.544 53.050 -0.093 0.000 0.866 306 N CB -0.276 38.164 38.487 -0.079 0.000 0.985 306 N HN 0.139 nan 8.380 nan 0.000 0.429 307 R N 1.228 121.687 120.500 -0.069 0.000 2.200 307 R HA -0.078 4.261 4.340 -0.001 0.000 0.234 307 R C 1.130 177.393 176.300 -0.062 0.000 1.127 307 R CA 1.044 57.114 56.100 -0.050 0.000 0.989 307 R CB 0.248 30.535 30.300 -0.021 0.000 0.869 307 R HN 0.146 nan 8.270 nan 0.000 0.459 308 E N 0.318 120.475 120.200 -0.072 0.000 2.122 308 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 308 E C 1.974 178.507 176.600 -0.112 0.000 0.977 308 E CA 0.549 56.907 56.400 -0.070 0.000 0.820 308 E CB 0.033 29.699 29.700 -0.056 0.000 0.770 308 E HN 0.319 nan 8.360 nan 0.000 0.462 309 I N 1.101 121.570 120.570 -0.169 0.000 2.286 309 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 309 I C 2.295 178.138 176.117 -0.457 0.000 1.115 309 I CA 0.998 62.132 61.300 -0.278 0.000 1.392 309 I CB -1.079 36.731 38.000 -0.316 0.000 1.065 309 I HN 0.077 nan 8.210 nan 0.000 0.418 310 L N -0.024 120.966 121.223 -0.389 0.000 2.552 310 L HA -0.072 4.268 4.340 -0.001 0.000 0.227 310 L C 2.261 179.070 176.870 -0.102 0.000 1.146 310 L CA 0.614 55.246 54.840 -0.346 0.000 0.858 310 L CB -0.448 41.510 42.059 -0.168 0.000 0.969 310 L HN 0.228 nan 8.230 nan 0.000 0.451 311 K N -0.004 120.353 120.400 -0.071 0.000 2.141 311 K HA 0.008 4.328 4.320 -0.001 0.000 0.202 311 K C 0.652 177.273 176.600 0.035 0.000 1.045 311 K CA 0.073 56.363 56.287 0.005 0.000 0.971 311 K CB 0.212 32.714 32.500 0.003 0.000 0.795 311 K HN -0.042 nan 8.250 nan 0.000 0.459 312 E N 2.877 123.083 120.200 0.010 0.000 2.366 312 E HA 0.017 4.367 4.350 -0.001 0.000 0.266 312 E C -2.385 174.300 176.600 0.142 0.000 1.015 312 E CA -2.053 54.381 56.400 0.057 0.000 0.906 312 E CB 0.397 30.107 29.700 0.015 0.000 0.979 312 E HN 0.033 nan 8.360 nan 0.000 0.443 313 P HA -0.118 nan 4.420 nan 0.000 0.264 313 P C -0.178 177.325 177.300 0.339 0.000 1.183 313 P CA -0.059 63.184 63.100 0.239 0.000 0.763 313 P CB 0.655 32.466 31.700 0.186 0.000 0.807 314 V N 4.973 125.088 119.914 0.335 0.000 2.557 314 V HA -0.071 4.048 4.120 -0.001 0.000 0.301 314 V C 0.027 176.284 176.094 0.272 0.000 1.026 314 V CA 0.275 62.744 62.300 0.281 0.000 1.137 314 V CB -0.895 30.921 31.823 -0.012 0.000 0.917 314 V HN 0.459 nan 8.190 nan 0.000 0.484 315 H N 5.056 124.186 119.070 0.100 0.000 2.580 315 H HA 0.607 5.162 4.556 -0.001 0.000 0.322 315 H C 0.962 176.330 175.328 0.067 0.000 1.082 315 H CA 0.325 56.421 56.048 0.080 0.000 1.383 315 H CB 1.480 31.285 29.762 0.072 0.000 1.450 315 H HN 0.999 nan 8.280 nan 0.000 0.505 316 G N 1.919 110.793 108.800 0.122 0.000 2.198 316 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.156 316 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.156 316 G C -0.204 174.859 174.900 0.271 0.000 1.012 316 G CA -0.051 45.143 45.100 0.156 0.000 0.692 316 G HN 0.697 nan 8.290 nan 0.000 0.492 317 V N -0.241 119.783 119.914 0.183 0.000 2.775 317 V HA 0.842 4.961 4.120 -0.001 0.000 0.299 317 V C -0.148 176.121 176.094 0.291 0.000 1.062 317 V CA -0.263 62.133 62.300 0.160 0.000 1.063 317 V CB 0.490 32.369 31.823 0.093 0.000 0.994 317 V HN 1.444 nan 8.190 nan 0.000 0.483 318 Y N 1.996 122.338 120.300 0.069 0.000 2.522 318 Y HA 0.605 5.154 4.550 -0.001 0.000 0.326 318 Y C -1.452 174.525 175.900 0.129 0.000 1.198 318 Y CA -1.583 56.569 58.100 0.087 0.000 1.112 318 Y CB 0.433 38.914 38.460 0.035 0.000 1.342 318 Y HN 0.780 nan 8.280 nan 0.000 0.460 319 Y N 3.279 123.604 120.300 0.042 0.000 2.320 319 Y HA 0.609 5.158 4.550 -0.001 0.000 0.324 319 Y C -0.901 175.009 175.900 0.017 0.000 1.190 319 Y CA -1.033 57.027 58.100 -0.067 0.000 1.215 319 Y CB 1.540 40.056 38.460 0.094 0.000 1.221 319 Y HN 0.820 nan 8.280 nan 0.000 0.486 320 D N 7.797 127.758 120.400 -0.732 0.000 2.358 320 D HA 0.253 4.893 4.640 -0.001 0.000 0.253 320 D C -2.190 173.622 176.300 -0.813 0.000 1.288 320 D CA -2.185 51.478 54.000 -0.560 0.000 0.950 320 D CB 1.905 42.601 40.800 -0.172 0.000 1.197 320 D HN 0.374 nan 8.370 nan 0.000 0.550 321 P HA -0.119 nan 4.420 nan 0.000 0.218 321 P C 0.931 178.111 177.300 -0.200 0.000 1.146 321 P CA 0.609 63.437 63.100 -0.453 0.000 0.813 321 P CB 0.368 31.941 31.700 -0.212 0.000 0.778 322 S N -0.849 114.742 115.700 -0.182 0.000 2.660 322 S HA 0.053 4.523 4.470 -0.001 0.000 0.223 322 S C 0.717 175.263 174.600 -0.090 0.000 0.963 322 S CA 0.516 58.654 58.200 -0.103 0.000 0.932 322 S CB -0.356 62.795 63.200 -0.081 0.000 0.775 322 S HN 0.296 nan 8.310 nan 0.000 0.531 323 K N 1.035 121.365 120.400 -0.116 0.000 2.426 323 K HA 0.322 4.642 4.320 -0.001 0.000 0.251 323 K C -1.384 175.159 176.600 -0.095 0.000 0.941 323 K CA -0.858 55.372 56.287 -0.095 0.000 0.808 323 K CB 1.403 33.843 32.500 -0.100 0.000 1.265 323 K HN -0.114 nan 8.250 nan 0.000 0.432 324 D N 1.375 121.721 120.400 -0.091 0.000 2.414 324 D HA 0.112 4.752 4.640 -0.001 0.000 0.242 324 D C -0.919 175.270 176.300 -0.185 0.000 1.129 324 D CA -0.124 53.810 54.000 -0.111 0.000 0.885 324 D CB 0.627 41.368 40.800 -0.099 0.000 1.198 324 D HN 0.122 nan 8.370 nan 0.000 0.437 325 L N 3.766 124.850 121.223 -0.233 0.000 2.334 325 L HA 0.478 4.817 4.340 -0.001 0.000 0.277 325 L C -0.513 176.088 176.870 -0.448 0.000 1.075 325 L CA -0.126 54.492 54.840 -0.370 0.000 0.804 325 L CB 1.037 42.848 42.059 -0.413 0.000 1.174 325 L HN 0.416 nan 8.230 nan 0.000 0.438 326 I N 3.541 123.736 120.570 -0.626 0.000 2.499 326 I HA 0.582 4.752 4.170 -0.001 0.000 0.288 326 I C -0.581 175.031 176.117 -0.842 0.000 1.048 326 I CA -0.636 60.203 61.300 -0.770 0.000 1.062 326 I CB 1.890 39.295 38.000 -0.993 0.000 1.238 326 I HN 0.660 nan 8.210 nan 0.000 0.426 327 A N 5.824 128.235 122.820 -0.682 0.000 2.342 327 A HA 0.761 5.080 4.320 -0.001 0.000 0.323 327 A C -0.759 176.692 177.584 -0.222 0.000 1.125 327 A CA -0.487 51.241 52.037 -0.516 0.000 0.785 327 A CB 1.167 19.645 19.000 -0.870 0.000 1.221 327 A HN 0.744 nan 8.150 nan 0.000 0.463 328 E N 1.290 121.487 120.200 -0.003 0.000 2.238 328 E HA 0.615 4.964 4.350 -0.001 0.000 0.267 328 E C -1.343 175.386 176.600 0.214 0.000 0.887 328 E CA -0.421 56.057 56.400 0.130 0.000 0.769 328 E CB 2.382 32.194 29.700 0.188 0.000 1.187 328 E HN 0.610 nan 8.360 nan 0.000 0.416 329 I N 2.315 123.034 120.570 0.248 0.000 2.545 329 I HA 0.237 4.406 4.170 -0.001 0.000 0.292 329 I C -0.867 175.437 176.117 0.311 0.000 1.040 329 I CA -0.879 60.611 61.300 0.316 0.000 1.068 329 I CB 2.009 40.202 38.000 0.321 0.000 1.251 329 I HN 0.352 nan 8.210 nan 0.000 0.424 330 Q N 4.651 124.643 119.800 0.320 0.000 2.312 330 Q HA 0.382 4.722 4.340 -0.001 0.000 0.263 330 Q C -0.706 175.391 176.000 0.162 0.000 0.995 330 Q CA -0.686 55.259 55.803 0.236 0.000 0.853 330 Q CB 2.310 31.180 28.738 0.220 0.000 1.300 330 Q HN 0.320 nan 8.270 nan 0.000 0.448 331 K N 2.047 122.439 120.400 -0.014 0.000 2.258 331 K HA 0.131 4.450 4.320 -0.001 0.000 0.284 331 K C -0.006 176.372 176.600 -0.370 0.000 1.051 331 K CA -0.141 55.874 56.287 -0.454 0.000 0.923 331 K CB 0.697 32.914 32.500 -0.472 0.000 1.046 331 K HN 0.550 nan 8.250 nan 0.000 0.474 332 Q N 2.197 121.717 119.800 -0.466 0.000 2.252 332 Q HA 0.269 4.608 4.340 -0.001 0.000 0.195 332 Q C 0.522 176.359 176.000 -0.271 0.000 0.974 332 Q CA 1.037 56.672 55.803 -0.280 0.000 0.846 332 Q CB 0.478 29.101 28.738 -0.191 0.000 0.943 332 Q HN 0.936 nan 8.270 nan 0.000 0.516 333 G N -0.331 108.275 108.800 -0.324 0.000 2.339 333 G HA2 0.002 3.961 3.960 -0.001 0.000 0.381 333 G HA3 0.002 3.961 3.960 -0.001 0.000 0.381 333 G C -1.202 173.605 174.900 -0.154 0.000 1.400 333 G CA -0.337 44.632 45.100 -0.218 0.000 1.002 333 G HN 0.148 nan 8.290 nan 0.000 0.633 334 Q N -1.298 118.446 119.800 -0.094 0.000 2.481 334 Q HA -0.204 4.136 4.340 -0.001 0.000 0.272 334 Q C 1.624 177.606 176.000 -0.029 0.000 1.157 334 Q CA 2.147 57.920 55.803 -0.050 0.000 0.935 334 Q CB -1.552 27.158 28.738 -0.047 0.000 1.338 334 Q HN 2.876 nan 8.270 nan 0.000 0.494 335 G N -0.773 108.013 108.800 -0.023 0.000 2.184 335 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.264 335 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.264 335 G C 0.073 175.048 174.900 0.125 0.000 0.975 335 G CA 0.686 45.848 45.100 0.103 0.000 0.642 335 G HN 0.420 nan 8.290 nan 0.000 0.536 336 Q N -1.160 118.602 119.800 -0.063 0.000 2.259 336 Q HA 0.579 4.918 4.340 -0.001 0.000 0.246 336 Q C -0.545 175.355 176.000 -0.168 0.000 0.920 336 Q CA -0.174 55.633 55.803 0.007 0.000 0.895 336 Q CB 0.879 29.603 28.738 -0.023 0.000 1.220 336 Q HN 0.410 nan 8.270 nan 0.000 0.439 337 W N 0.000 121.402 121.300 0.169 0.000 3.107 337 W HA 0.415 5.075 4.660 -0.001 0.000 0.331 337 W C -0.618 176.031 176.519 0.217 0.000 1.204 337 W CA -0.536 56.935 57.345 0.210 0.000 1.184 337 W CB 1.763 31.399 29.460 0.294 0.000 1.421 337 W HN 0.567 nan 8.180 nan 0.000 0.544 338 T N -0.556 114.234 114.554 0.394 0.000 2.906 338 T HA 0.830 5.180 4.350 -0.001 0.000 0.295 338 T C -1.264 173.602 174.700 0.277 0.000 1.061 338 T CA -0.671 61.574 62.100 0.242 0.000 1.000 338 T CB 1.870 70.820 68.868 0.138 0.000 1.103 338 T HN 0.531 nan 8.240 nan 0.000 0.486 339 Y N -0.343 120.000 120.300 0.071 0.000 2.644 339 Y HA 0.862 5.412 4.550 -0.001 0.000 0.338 339 Y C -1.439 174.404 175.900 -0.094 0.000 1.119 339 Y CA -1.425 56.690 58.100 0.024 0.000 1.060 339 Y CB 1.549 40.058 38.460 0.081 0.000 1.294 339 Y HN 0.657 nan 8.280 nan 0.000 0.472 340 Q N 1.694 121.568 119.800 0.124 0.000 2.281 340 Q HA 0.579 4.918 4.340 -0.001 0.000 0.263 340 Q C -1.602 174.468 176.000 0.116 0.000 0.989 340 Q CA -0.434 55.390 55.803 0.036 0.000 0.852 340 Q CB 2.973 31.660 28.738 -0.084 0.000 1.337 340 Q HN 0.734 nan 8.270 nan 0.000 0.418 341 I N 3.579 124.203 120.570 0.089 0.000 2.377 341 I HA 0.646 4.815 4.170 -0.001 0.000 0.293 341 I C -0.824 175.233 176.117 -0.101 0.000 0.987 341 I CA -1.100 60.134 61.300 -0.110 0.000 1.185 341 I CB 0.600 38.550 38.000 -0.083 0.000 1.341 341 I HN 0.672 nan 8.210 nan 0.000 0.455 342 Y N 3.016 123.166 120.300 -0.249 0.000 2.689 342 Y HA 0.428 4.978 4.550 -0.001 0.000 0.333 342 Y C -0.325 175.413 175.900 -0.271 0.000 1.208 342 Y CA -0.982 56.967 58.100 -0.253 0.000 1.055 342 Y CB 1.094 39.437 38.460 -0.194 0.000 1.304 342 Y HN 0.457 nan 8.280 nan 0.000 0.455 343 Q N 0.088 119.891 119.800 0.005 0.000 2.431 343 Q HA 0.190 4.529 4.340 -0.001 0.000 0.244 343 Q C -0.711 175.345 176.000 0.093 0.000 0.880 343 Q CA 0.396 56.158 55.803 -0.069 0.000 0.954 343 Q CB 1.041 29.674 28.738 -0.175 0.000 1.105 343 Q HN 0.731 nan 8.270 nan 0.000 0.558 344 E N 1.338 121.612 120.200 0.123 0.000 2.314 344 E HA 0.331 4.681 4.350 -0.001 0.000 0.272 344 E C -2.840 173.665 176.600 -0.157 0.000 0.884 344 E CA -2.587 53.838 56.400 0.042 0.000 0.753 344 E CB 1.595 31.302 29.700 0.012 0.000 1.213 344 E HN -0.192 nan 8.360 nan 0.000 0.432 345 P HA -0.104 nan 4.420 nan 0.000 0.261 345 P C -0.252 176.778 177.300 -0.451 0.000 1.165 345 P CA 0.402 63.081 63.100 -0.701 0.000 0.759 345 P CB -0.137 31.267 31.700 -0.493 0.000 0.772 346 F N 0.234 119.948 119.950 -0.392 0.000 2.884 346 F HA -0.196 4.330 4.527 -0.001 0.000 0.294 346 F C 0.632 176.286 175.800 -0.244 0.000 0.723 346 F CA 1.063 58.876 58.000 -0.311 0.000 1.294 346 F CB -2.365 36.450 39.000 -0.308 0.000 1.551 346 F HN 0.335 nan 8.300 nan 0.000 0.363 347 K N 0.737 121.067 120.400 -0.117 0.000 3.022 347 K HA 0.319 4.638 4.320 -0.001 0.000 0.178 347 K C -0.173 176.386 176.600 -0.068 0.000 1.089 347 K CA -0.359 55.886 56.287 -0.070 0.000 0.916 347 K CB 0.185 32.649 32.500 -0.059 0.000 1.159 347 K HN 0.009 nan 8.250 nan 0.000 0.592 348 N N 1.103 119.779 118.700 -0.039 0.000 2.407 348 N HA -0.007 4.733 4.740 -0.001 0.000 0.250 348 N C 0.822 176.354 175.510 0.038 0.000 1.236 348 N CA 0.289 53.357 53.050 0.030 0.000 0.879 348 N CB 0.742 39.266 38.487 0.062 0.000 1.088 348 N HN 0.239 nan 8.380 nan 0.000 0.450 349 L N 0.541 121.794 121.223 0.050 0.000 2.221 349 L HA 0.175 4.515 4.340 -0.001 0.000 0.202 349 L C 1.007 177.993 176.870 0.194 0.000 1.074 349 L CA 0.731 55.632 54.840 0.102 0.000 0.795 349 L CB 0.055 42.115 42.059 0.000 0.000 0.960 349 L HN 0.518 nan 8.230 nan 0.000 0.458 350 K N 0.024 120.535 120.400 0.185 0.000 2.568 350 K HA 0.351 4.671 4.320 -0.001 0.000 0.273 350 K C -1.565 175.094 176.600 0.099 0.000 0.951 350 K CA -0.432 55.965 56.287 0.183 0.000 0.854 350 K CB 2.255 34.935 32.500 0.300 0.000 1.424 350 K HN -0.040 nan 8.250 nan 0.000 0.427 351 T N -0.283 114.269 114.554 -0.004 0.000 2.991 351 T HA 0.707 5.056 4.350 -0.001 0.000 0.303 351 T C -0.126 174.344 174.700 -0.383 0.000 1.015 351 T CA -0.648 61.321 62.100 -0.219 0.000 1.007 351 T CB 1.630 70.408 68.868 -0.151 0.000 1.034 351 T HN 0.656 nan 8.240 nan 0.000 0.446 352 G N 0.953 109.120 108.800 -1.055 0.000 3.140 352 G HA2 0.731 4.691 3.960 -0.001 0.000 0.271 352 G HA3 0.731 4.691 3.960 -0.001 0.000 0.271 352 G C -1.476 173.033 174.900 -0.652 0.000 1.370 352 G CA -1.165 43.404 45.100 -0.885 0.000 1.014 352 G HN 0.836 nan 8.290 nan 0.000 0.541 353 K N 0.006 120.319 120.400 -0.146 0.000 2.764 353 K HA 0.254 4.573 4.320 -0.001 0.000 0.239 353 K C -1.757 175.005 176.600 0.270 0.000 1.048 353 K CA -0.695 55.647 56.287 0.090 0.000 1.057 353 K CB 1.157 33.695 32.500 0.064 0.000 1.251 353 K HN 0.480 nan 8.250 nan 0.000 0.524 354 Y N 2.918 123.410 120.300 0.320 0.000 2.544 354 Y HA 0.259 4.809 4.550 -0.001 0.000 0.330 354 Y C -0.144 175.912 175.900 0.260 0.000 1.136 354 Y CA 0.338 58.603 58.100 0.274 0.000 1.417 354 Y CB 0.591 39.203 38.460 0.252 0.000 1.229 354 Y HN 0.627 nan 8.280 nan 0.000 0.532 355 A N 6.464 129.048 122.820 -0.392 0.000 2.326 355 A HA 0.521 4.840 4.320 -0.001 0.000 0.303 355 A C -0.087 177.293 177.584 -0.339 0.000 1.164 355 A CA -0.998 50.900 52.037 -0.232 0.000 0.929 355 A CB 0.540 19.456 19.000 -0.140 0.000 1.363 355 A HN 0.715 nan 8.150 nan 0.000 0.498 356 R N 1.493 121.913 120.500 -0.134 0.000 2.630 356 R HA 0.009 4.348 4.340 -0.001 0.000 0.286 356 R C -0.280 175.942 176.300 -0.129 0.000 1.391 356 R CA -0.036 56.017 56.100 -0.079 0.000 1.027 356 R CB -0.770 29.514 30.300 -0.027 0.000 1.099 356 R HN 0.673 nan 8.270 nan 0.000 0.525 357 M N 4.384 123.870 119.600 -0.190 0.000 2.408 357 M HA -0.078 4.401 4.480 -0.001 0.000 0.363 357 M C 0.035 176.294 176.300 -0.068 0.000 1.636 357 M CA 0.632 55.853 55.300 -0.131 0.000 1.029 357 M CB -0.057 32.529 32.600 -0.023 0.000 2.068 357 M HN 0.253 nan 8.290 nan 0.000 0.466 358 R N 3.384 123.846 120.500 -0.062 0.000 2.387 358 R HA 0.337 4.676 4.340 -0.001 0.000 0.321 358 R C 1.119 177.382 176.300 -0.061 0.000 1.174 358 R CA 0.514 56.585 56.100 -0.049 0.000 1.002 358 R CB -0.391 29.887 30.300 -0.036 0.000 1.028 358 R HN 1.005 nan 8.270 nan 0.000 0.482 359 G N 1.148 109.900 108.800 -0.080 0.000 2.624 359 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.190 359 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.190 359 G C 0.158 174.923 174.900 -0.225 0.000 1.008 359 G CA -0.257 44.768 45.100 -0.126 0.000 0.731 359 G HN 0.743 nan 8.290 nan 0.000 0.478 360 A N 1.663 124.379 122.820 -0.173 0.000 2.388 360 A HA 0.643 4.962 4.320 -0.001 0.000 0.257 360 A C 0.541 178.014 177.584 -0.185 0.000 1.095 360 A CA -0.249 51.660 52.037 -0.213 0.000 0.791 360 A CB 0.093 19.044 19.000 -0.082 0.000 1.029 360 A HN 0.402 nan 8.150 nan 0.000 0.489 361 H N 0.653 119.687 119.070 -0.059 0.000 2.581 361 H HA 0.189 4.744 4.556 -0.001 0.000 0.369 361 H C 0.794 176.104 175.328 -0.030 0.000 1.351 361 H CA 0.868 56.888 56.048 -0.046 0.000 1.434 361 H CB 0.307 30.033 29.762 -0.060 0.000 1.558 361 H HN 0.679 nan 8.280 nan 0.000 0.608 362 T N -0.219 114.414 114.554 0.130 0.000 4.104 362 T HA 0.052 4.401 4.350 -0.001 0.000 0.285 362 T C 0.376 175.107 174.700 0.052 0.000 1.346 362 T CA -0.715 61.430 62.100 0.075 0.000 1.158 362 T CB -0.894 68.002 68.868 0.047 0.000 1.290 362 T HN 0.380 nan 8.240 nan 0.000 0.975 363 N N 2.033 120.764 118.700 0.052 0.000 2.690 363 N HA 0.125 4.864 4.740 -0.001 0.000 0.255 363 N C 0.240 175.789 175.510 0.064 0.000 1.195 363 N CA -0.393 52.663 53.050 0.009 0.000 0.790 363 N CB 1.230 39.676 38.487 -0.068 0.000 1.216 363 N HN 0.260 nan 8.380 nan 0.000 0.528 364 D N 1.280 121.770 120.400 0.150 0.000 2.200 364 D HA -0.173 4.467 4.640 -0.001 0.000 0.192 364 D C 1.649 178.104 176.300 0.259 0.000 1.008 364 D CA 1.417 55.606 54.000 0.315 0.000 0.872 364 D CB 0.502 41.486 40.800 0.307 0.000 0.923 364 D HN 0.320 nan 8.370 nan 0.000 0.447 365 V N 0.779 120.804 119.914 0.186 0.000 2.379 365 V HA -0.203 3.916 4.120 -0.001 0.000 0.245 365 V C 2.490 178.659 176.094 0.125 0.000 1.044 365 V CA 1.521 63.967 62.300 0.244 0.000 1.036 365 V CB -0.405 31.626 31.823 0.348 0.000 0.664 365 V HN 0.141 nan 8.190 nan 0.000 0.453 366 K N -0.190 120.109 120.400 -0.168 0.000 2.057 366 K HA -0.249 4.071 4.320 -0.001 0.000 0.207 366 K C 2.253 178.688 176.600 -0.275 0.000 1.049 366 K CA 1.728 57.630 56.287 -0.642 0.000 0.931 366 K CB -0.107 31.771 32.500 -1.037 0.000 0.714 366 K HN 0.498 nan 8.250 nan 0.000 0.440 367 Q N 0.554 120.260 119.800 -0.157 0.000 2.020 367 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 367 Q C 2.232 177.932 176.000 -0.500 0.000 0.982 367 Q CA 1.778 57.480 55.803 -0.168 0.000 0.838 367 Q CB -0.155 28.630 28.738 0.079 0.000 0.899 367 Q HN 0.376 nan 8.270 nan 0.000 0.423 368 L N 0.354 121.202 121.223 -0.626 0.000 2.042 368 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 368 L C 2.103 178.807 176.870 -0.277 0.000 1.076 368 L CA 1.560 55.954 54.840 -0.743 0.000 0.749 368 L CB -0.449 41.344 42.059 -0.443 0.000 0.893 368 L HN 0.315 nan 8.230 nan 0.000 0.432 369 T N -0.446 114.142 114.554 0.056 0.000 2.699 369 T HA -0.258 4.092 4.350 -0.001 0.000 0.268 369 T C 1.608 176.312 174.700 0.007 0.000 1.036 369 T CA 1.959 64.223 62.100 0.273 0.000 1.147 369 T CB -0.309 68.761 68.868 0.338 0.000 0.862 369 T HN 0.503 nan 8.240 nan 0.000 0.446 370 E N 0.971 121.057 120.200 -0.191 0.000 2.047 370 E HA -0.042 4.308 4.350 -0.001 0.000 0.191 370 E C 2.677 178.949 176.600 -0.548 0.000 0.987 370 E CA 0.916 57.126 56.400 -0.316 0.000 0.799 370 E CB -0.292 29.250 29.700 -0.263 0.000 0.752 370 E HN 0.492 nan 8.360 nan 0.000 0.449 371 A N 1.167 123.485 122.820 -0.837 0.000 1.859 371 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 371 A C 2.553 179.823 177.584 -0.523 0.000 1.198 371 A CA 1.666 53.134 52.037 -0.949 0.000 0.629 371 A CB -1.066 17.429 19.000 -0.842 0.000 0.830 371 A HN 0.140 nan 8.150 nan 0.000 0.446 372 V N 0.174 119.840 119.914 -0.412 0.000 2.278 372 V HA -0.410 3.709 4.120 -0.001 0.000 0.251 372 V C 2.717 178.709 176.094 -0.170 0.000 1.062 372 V CA 2.611 64.644 62.300 -0.445 0.000 1.038 372 V CB -0.981 30.620 31.823 -0.369 0.000 0.646 372 V HN 0.719 nan 8.190 nan 0.000 0.447 373 Q N -0.848 118.886 119.800 -0.110 0.000 2.167 373 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 373 Q C 2.351 178.380 176.000 0.050 0.000 0.970 373 Q CA 1.031 56.846 55.803 0.020 0.000 0.855 373 Q CB -0.200 28.358 28.738 -0.300 0.000 0.911 373 Q HN 0.562 nan 8.270 nan 0.000 0.438 374 K N 0.823 121.137 120.400 -0.144 0.000 1.985 374 K HA -0.119 4.200 4.320 -0.001 0.000 0.210 374 K C 2.161 178.641 176.600 -0.201 0.000 1.047 374 K CA 1.039 57.225 56.287 -0.169 0.000 0.932 374 K CB -0.401 31.938 32.500 -0.268 0.000 0.716 374 K HN 0.228 nan 8.250 nan 0.000 0.439 375 I N 1.626 122.040 120.570 -0.261 0.000 2.113 375 I HA -0.272 3.898 4.170 -0.001 0.000 0.242 375 I C 2.249 178.331 176.117 -0.057 0.000 1.064 375 I CA 1.718 62.878 61.300 -0.233 0.000 1.320 375 I CB -2.124 35.857 38.000 -0.032 0.000 1.028 375 I HN 0.149 nan 8.210 nan 0.000 0.406 376 T N 0.663 115.273 114.554 0.093 0.000 2.737 376 T HA -0.171 4.179 4.350 -0.001 0.000 0.269 376 T C 1.948 176.508 174.700 -0.233 0.000 1.040 376 T CA 2.158 64.208 62.100 -0.082 0.000 1.142 376 T CB -0.433 68.311 68.868 -0.206 0.000 0.861 376 T HN 0.406 nan 8.240 nan 0.000 0.456 377 T N 2.028 116.567 114.554 -0.025 0.000 2.668 377 T HA -0.074 4.276 4.350 -0.001 0.000 0.262 377 T C 2.011 176.686 174.700 -0.041 0.000 1.045 377 T CA 1.190 63.342 62.100 0.087 0.000 1.152 377 T CB -0.287 68.733 68.868 0.255 0.000 0.864 377 T HN 0.557 nan 8.240 nan 0.000 0.419 378 E N 1.172 121.253 120.200 -0.198 0.000 2.114 378 E HA -0.173 4.176 4.350 -0.001 0.000 0.199 378 E C 2.417 178.909 176.600 -0.180 0.000 1.008 378 E CA 1.365 57.548 56.400 -0.362 0.000 0.810 378 E CB -0.364 28.902 29.700 -0.725 0.000 0.739 378 E HN 0.319 nan 8.360 nan 0.000 0.456 379 S N 0.529 116.150 115.700 -0.132 0.000 2.383 379 S HA -0.143 4.327 4.470 -0.001 0.000 0.229 379 S C 1.973 176.482 174.600 -0.152 0.000 1.030 379 S CA 0.831 59.034 58.200 0.004 0.000 1.002 379 S CB -0.177 63.005 63.200 -0.029 0.000 0.829 379 S HN 0.200 nan 8.310 nan 0.000 0.467 380 I N 0.568 120.945 120.570 -0.322 0.000 2.286 380 I HA -0.088 4.081 4.170 -0.001 0.000 0.245 380 I C 2.213 178.053 176.117 -0.462 0.000 1.104 380 I CA 0.733 61.716 61.300 -0.529 0.000 1.397 380 I CB -0.355 37.228 38.000 -0.695 0.000 1.072 380 I HN 0.178 nan 8.210 nan 0.000 0.417 381 V N 1.430 121.164 119.914 -0.299 0.000 2.343 381 V HA -0.249 3.871 4.120 -0.001 0.000 0.247 381 V C 2.358 178.304 176.094 -0.247 0.000 1.051 381 V CA 1.509 63.692 62.300 -0.195 0.000 1.036 381 V CB -0.426 31.426 31.823 0.048 0.000 0.654 381 V HN 0.293 nan 8.190 nan 0.000 0.451 382 I N -1.589 118.704 120.570 -0.462 0.000 2.286 382 I HA -0.134 4.036 4.170 -0.001 0.000 0.245 382 I C 1.819 177.323 176.117 -1.022 0.000 1.104 382 I CA 1.751 62.489 61.300 -0.938 0.000 1.397 382 I CB -0.766 36.032 38.000 -2.002 0.000 1.072 382 I HN 0.475 nan 8.210 nan 0.000 0.417 383 W N 0.315 121.350 121.300 -0.442 0.000 2.304 383 W HA 0.402 5.061 4.660 -0.001 0.000 0.326 383 W C 1.124 177.056 176.519 -0.979 0.000 0.920 383 W CA 0.177 57.117 57.345 -0.676 0.000 1.518 383 W CB -0.392 28.532 29.460 -0.892 0.000 1.112 383 W HN 0.306 nan 8.180 nan 0.000 0.528 384 G N 2.957 111.127 108.800 -1.051 0.000 2.356 384 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.296 384 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.296 384 G C -0.045 174.641 174.900 -0.356 0.000 1.022 384 G CA 1.322 45.910 45.100 -0.853 0.000 0.961 384 G HN 0.270 nan 8.290 nan 0.000 0.510 385 K N -0.766 119.442 120.400 -0.320 0.000 2.546 385 K HA 0.556 4.876 4.320 -0.001 0.000 0.264 385 K C -0.285 176.175 176.600 -0.234 0.000 0.937 385 K CA -0.652 55.544 56.287 -0.152 0.000 0.833 385 K CB 1.327 33.818 32.500 -0.015 0.000 1.378 385 K HN 0.035 nan 8.250 nan 0.000 0.432 386 T N 3.980 118.426 114.554 -0.181 0.000 2.922 386 T HA 0.441 4.791 4.350 -0.001 0.000 0.285 386 T C -2.423 172.167 174.700 -0.183 0.000 1.005 386 T CA -1.154 60.820 62.100 -0.211 0.000 1.061 386 T CB 1.322 70.106 68.868 -0.140 0.000 1.007 386 T HN 0.462 nan 8.240 nan 0.000 0.502 387 P HA 0.378 nan 4.420 nan 0.000 0.283 387 P C -1.273 175.812 177.300 -0.357 0.000 1.278 387 P CA -0.839 62.026 63.100 -0.391 0.000 0.834 387 P CB 1.143 32.478 31.700 -0.607 0.000 1.150 388 K N 1.349 121.515 120.400 -0.390 0.000 2.293 388 K HA 0.368 4.687 4.320 -0.001 0.000 0.267 388 K C -1.021 175.397 176.600 -0.302 0.000 1.010 388 K CA -0.564 55.578 56.287 -0.240 0.000 0.875 388 K CB 0.230 32.616 32.500 -0.190 0.000 1.106 388 K HN 0.206 nan 8.250 nan 0.000 0.450 389 F N 2.673 122.561 119.950 -0.103 0.000 2.389 389 F HA 0.262 4.788 4.527 -0.001 0.000 0.337 389 F C 0.707 176.431 175.800 -0.127 0.000 1.112 389 F CA -0.210 57.730 58.000 -0.099 0.000 1.192 389 F CB 1.102 40.069 39.000 -0.055 0.000 1.185 389 F HN 0.289 nan 8.300 nan 0.000 0.552 390 K N 4.367 124.812 120.400 0.074 0.000 2.423 390 K HA 0.361 4.680 4.320 -0.001 0.000 0.234 390 K C -1.004 175.622 176.600 0.044 0.000 1.051 390 K CA -0.256 56.043 56.287 0.019 0.000 1.021 390 K CB 0.524 33.040 32.500 0.027 0.000 1.474 390 K HN 0.472 nan 8.250 nan 0.000 0.474 391 L N 4.267 125.454 121.223 -0.060 0.000 2.410 391 L HA 0.181 4.520 4.340 -0.001 0.000 0.273 391 L C -1.633 175.247 176.870 0.016 0.000 1.152 391 L CA -1.614 53.155 54.840 -0.117 0.000 0.855 391 L CB 0.277 42.054 42.059 -0.470 0.000 1.129 391 L HN 0.288 nan 8.230 nan 0.000 0.463 392 P HA 0.298 nan 4.420 nan 0.000 0.209 392 P C -0.596 176.784 177.300 0.134 0.000 1.843 392 P CA 0.201 63.380 63.100 0.132 0.000 0.985 392 P CB 0.547 32.362 31.700 0.192 0.000 1.904 393 I N -0.895 119.732 120.570 0.094 0.000 3.066 393 I HA 0.291 4.461 4.170 -0.001 0.000 0.307 393 I C -1.544 174.586 176.117 0.022 0.000 1.366 393 I CA -1.194 60.160 61.300 0.091 0.000 0.972 393 I CB 3.026 41.095 38.000 0.115 0.000 1.307 393 I HN -0.138 nan 8.210 nan 0.000 0.470 394 Q N 4.443 124.239 119.800 -0.008 0.000 2.267 394 Q HA 0.175 4.515 4.340 -0.001 0.000 0.255 394 Q C 0.886 176.685 176.000 -0.335 0.000 0.923 394 Q CA -0.078 55.657 55.803 -0.113 0.000 0.925 394 Q CB 1.687 30.401 28.738 -0.040 0.000 1.195 394 Q HN 0.613 nan 8.270 nan 0.000 0.417 395 K N 3.036 123.019 120.400 -0.695 0.000 2.013 395 K HA -0.344 3.976 4.320 -0.001 0.000 0.225 395 K C 1.013 177.317 176.600 -0.494 0.000 1.056 395 K CA 2.587 58.190 56.287 -1.141 0.000 0.971 395 K CB 0.032 32.034 32.500 -0.831 0.000 0.731 395 K HN 0.697 nan 8.250 nan 0.000 0.450 396 E N -0.277 119.761 120.200 -0.270 0.000 2.209 396 E HA -0.136 4.213 4.350 -0.001 0.000 0.196 396 E C 1.878 178.391 176.600 -0.146 0.000 0.993 396 E CA 1.863 58.156 56.400 -0.178 0.000 0.819 396 E CB -0.119 29.505 29.700 -0.127 0.000 0.745 396 E HN 0.475 nan 8.360 nan 0.000 0.477 397 T N -0.214 114.307 114.554 -0.056 0.000 2.812 397 T HA -0.130 4.219 4.350 -0.001 0.000 0.264 397 T C 1.305 176.127 174.700 0.204 0.000 1.042 397 T CA 0.991 63.162 62.100 0.117 0.000 1.140 397 T CB -0.286 68.687 68.868 0.176 0.000 0.870 397 T HN 0.440 nan 8.240 nan 0.000 0.445 398 W N 2.168 123.408 121.300 -0.100 0.000 2.441 398 W HA -0.009 4.650 4.660 -0.001 0.000 0.302 398 W C 1.708 178.183 176.519 -0.073 0.000 1.191 398 W CA 0.824 58.125 57.345 -0.074 0.000 1.327 398 W CB -0.189 29.142 29.460 -0.216 0.000 1.128 398 W HN 0.331 nan 8.180 nan 0.000 0.522 399 E N 0.009 120.172 120.200 -0.062 0.000 2.160 399 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 399 E C 2.038 178.441 176.600 -0.329 0.000 0.991 399 E CA 2.081 58.397 56.400 -0.140 0.000 0.810 399 E CB -0.191 29.435 29.700 -0.123 0.000 0.742 399 E HN 0.189 nan 8.360 nan 0.000 0.466 400 T N -0.373 113.923 114.554 -0.430 0.000 2.770 400 T HA -0.103 4.247 4.350 -0.001 0.000 0.263 400 T C 1.087 175.267 174.700 -0.868 0.000 1.039 400 T CA 0.810 62.448 62.100 -0.770 0.000 1.142 400 T CB -0.033 68.138 68.868 -1.161 0.000 0.868 400 T HN 0.342 nan 8.240 nan 0.000 0.435 401 W N 0.634 121.759 121.300 -0.291 0.000 3.058 401 W HA 0.240 4.900 4.660 -0.001 0.000 0.306 401 W C 1.959 178.164 176.519 -0.525 0.000 1.188 401 W CA -0.937 56.176 57.345 -0.387 0.000 1.651 401 W CB -0.540 28.781 29.460 -0.232 0.000 1.051 401 W HN 0.435 nan 8.180 nan 0.000 0.592 402 W N 2.274 123.161 121.300 -0.687 0.000 2.308 402 W HA -0.295 4.364 4.660 -0.001 0.000 0.301 402 W C 1.614 177.853 176.519 -0.468 0.000 1.220 402 W CA 2.566 59.343 57.345 -0.947 0.000 1.240 402 W CB -1.670 26.556 29.460 -2.056 0.000 1.142 402 W HN -0.127 nan 8.180 nan 0.000 0.521 403 T N -1.121 112.628 114.554 -1.342 0.000 2.951 403 T HA -0.167 4.182 4.350 -0.001 0.000 0.268 403 T C 1.548 176.035 174.700 -0.354 0.000 1.073 403 T CA 1.454 62.904 62.100 -1.083 0.000 1.134 403 T CB -0.516 67.634 68.868 -1.198 0.000 0.884 403 T HN 0.076 nan 8.240 nan 0.000 0.479 404 E N 0.776 120.732 120.200 -0.406 0.000 2.204 404 E HA -0.076 4.273 4.350 -0.001 0.000 0.195 404 E C 1.352 177.835 176.600 -0.195 0.000 0.990 404 E CA 1.085 57.293 56.400 -0.321 0.000 0.821 404 E CB -0.221 29.179 29.700 -0.501 0.000 0.750 404 E HN 0.748 nan 8.360 nan 0.000 0.477 405 Y N -1.653 118.701 120.300 0.090 0.000 2.481 405 Y HA 0.107 4.657 4.550 -0.001 0.000 0.258 405 Y C 1.076 177.088 175.900 0.186 0.000 1.103 405 Y CA -1.103 57.065 58.100 0.114 0.000 1.287 405 Y CB -0.284 38.233 38.460 0.096 0.000 1.108 405 Y HN 0.045 nan 8.280 nan 0.000 0.529 406 W N 3.320 124.714 121.300 0.158 0.000 2.257 406 W HA 0.024 4.683 4.660 -0.001 0.000 0.337 406 W C 0.218 176.804 176.519 0.113 0.000 1.321 406 W CA 0.960 58.424 57.345 0.198 0.000 1.267 406 W CB 0.688 30.337 29.460 0.316 0.000 1.187 406 W HN 0.177 nan 8.180 nan 0.000 0.565 407 Q N 3.257 122.842 119.800 -0.358 0.000 2.057 407 Q HA 0.207 4.547 4.340 -0.001 0.000 0.216 407 Q C -0.019 175.692 176.000 -0.481 0.000 0.788 407 Q CA -0.177 55.448 55.803 -0.297 0.000 1.053 407 Q CB 1.239 29.846 28.738 -0.218 0.000 1.210 407 Q HN 0.401 nan 8.270 nan 0.000 0.455 408 A N 0.160 122.456 122.820 -0.874 0.000 2.284 408 A HA 0.529 4.849 4.320 -0.001 0.000 0.317 408 A C 0.975 178.313 177.584 -0.409 0.000 1.120 408 A CA -0.169 51.345 52.037 -0.871 0.000 0.900 408 A CB 0.685 18.658 19.000 -1.711 0.000 1.319 408 A HN 0.159 nan 8.150 nan 0.000 0.494 409 T N -2.599 111.629 114.554 -0.543 0.000 3.040 409 T HA 0.194 4.543 4.350 -0.001 0.000 0.250 409 T C 0.337 175.090 174.700 0.089 0.000 1.058 409 T CA -0.068 61.943 62.100 -0.149 0.000 0.988 409 T CB -0.325 68.466 68.868 -0.127 0.000 0.993 409 T HN 0.672 nan 8.240 nan 0.000 0.519 410 W N 0.954 122.508 121.300 0.423 0.000 2.655 410 W HA 0.756 5.415 4.660 -0.001 0.000 0.358 410 W C -1.238 175.626 176.519 0.575 0.000 1.100 410 W CA -1.611 55.978 57.345 0.406 0.000 1.195 410 W CB 0.726 30.396 29.460 0.349 0.000 1.403 410 W HN -0.211 nan 8.180 nan 0.000 0.589 411 I N 2.808 123.837 120.570 0.765 0.000 2.499 411 I HA 0.294 4.463 4.170 -0.001 0.000 0.288 411 I C -2.160 174.079 176.117 0.204 0.000 1.048 411 I CA -2.911 58.665 61.300 0.461 0.000 1.062 411 I CB 1.271 39.327 38.000 0.093 0.000 1.238 411 I HN 0.063 nan 8.210 nan 0.000 0.426 412 P HA 0.278 nan 4.420 nan 0.000 0.279 412 P C -0.545 176.557 177.300 -0.330 0.000 1.252 412 P CA -0.432 62.698 63.100 0.049 0.000 0.811 412 P CB 1.531 33.449 31.700 0.362 0.000 1.035 413 E N 2.103 122.161 120.200 -0.237 0.000 2.152 413 E HA 0.300 4.649 4.350 -0.001 0.000 0.285 413 E C -1.127 175.310 176.600 -0.272 0.000 1.043 413 E CA -0.265 55.902 56.400 -0.387 0.000 0.839 413 E CB -0.088 29.487 29.700 -0.208 0.000 1.069 413 E HN 0.301 nan 8.360 nan 0.000 0.399 414 W N 3.358 124.551 121.300 -0.178 0.000 2.719 414 W HA 0.674 5.334 4.660 -0.001 0.000 0.352 414 W C -0.734 175.475 176.519 -0.516 0.000 1.085 414 W CA -1.389 55.773 57.345 -0.304 0.000 1.187 414 W CB 0.080 29.283 29.460 -0.429 0.000 1.417 414 W HN 0.500 nan 8.180 nan 0.000 0.557 415 E N 0.810 120.856 120.200 -0.255 0.000 2.367 415 E HA 0.635 4.984 4.350 -0.001 0.000 0.273 415 E C -1.829 174.453 176.600 -0.531 0.000 0.903 415 E CA -0.936 55.218 56.400 -0.410 0.000 0.764 415 E CB 1.897 31.506 29.700 -0.151 0.000 1.252 415 E HN 0.271 nan 8.360 nan 0.000 0.446 416 F N 1.461 121.411 119.950 -0.000 0.000 2.410 416 F HA 0.525 5.052 4.527 -0.001 0.000 0.349 416 F C -0.080 175.715 175.800 -0.008 0.000 1.117 416 F CA -0.918 57.052 58.000 -0.051 0.000 1.104 416 F CB 1.792 40.754 39.000 -0.064 0.000 1.122 416 F HN 0.271 nan 8.300 nan 0.000 0.483 417 V N 3.606 123.621 119.914 0.168 0.000 2.760 417 V HA 0.555 4.674 4.120 -0.001 0.000 0.309 417 V C -1.501 174.661 176.094 0.112 0.000 1.077 417 V CA -0.544 61.829 62.300 0.121 0.000 0.910 417 V CB 2.143 34.021 31.823 0.092 0.000 1.008 417 V HN 0.790 nan 8.190 nan 0.000 0.424 418 N N 3.321 122.079 118.700 0.097 0.000 2.442 418 N HA 0.683 5.422 4.740 -0.001 0.000 0.274 418 N C -0.978 174.580 175.510 0.079 0.000 1.002 418 N CA 0.116 53.216 53.050 0.083 0.000 0.910 418 N CB 1.830 40.358 38.487 0.069 0.000 1.244 418 N HN 0.857 nan 8.380 nan 0.000 0.492 419 T N 1.638 116.243 114.554 0.085 0.000 3.186 419 T HA 0.458 4.807 4.350 -0.001 0.000 0.320 419 T C -2.451 172.296 174.700 0.080 0.000 0.955 419 T CA -1.210 60.943 62.100 0.087 0.000 1.030 419 T CB 1.031 69.964 68.868 0.110 0.000 1.013 419 T HN 0.383 nan 8.240 nan 0.000 0.454 420 P HA 0.209 nan 4.420 nan 0.000 0.270 420 P C -2.555 174.760 177.300 0.025 0.000 1.216 420 P CA -0.863 62.255 63.100 0.029 0.000 0.788 420 P CB -0.291 31.422 31.700 0.022 0.000 0.883 421 P HA 0.222 nan 4.420 nan 0.000 0.283 421 P C -0.213 176.992 177.300 -0.157 0.000 1.412 421 P CA -0.245 62.764 63.100 -0.152 0.000 0.912 421 P CB 0.177 31.734 31.700 -0.239 0.000 1.132 422 L N 1.092 122.296 121.223 -0.032 0.000 2.418 422 L HA 0.377 4.717 4.340 -0.001 0.000 0.265 422 L C 0.885 177.673 176.870 -0.137 0.000 1.143 422 L CA -1.146 53.718 54.840 0.040 0.000 0.809 422 L CB 0.097 42.283 42.059 0.212 0.000 1.124 422 L HN 0.012 nan 8.230 nan 0.000 0.456 423 V N 1.490 121.357 119.914 -0.078 0.000 5.257 423 V HA -0.347 3.773 4.120 -0.001 0.000 0.265 423 V C 1.168 176.910 176.094 -0.588 0.000 0.646 423 V CA 1.405 63.604 62.300 -0.168 0.000 0.650 423 V CB -2.568 29.331 31.823 0.127 0.000 0.424 423 V HN 1.029 nan 8.190 nan 0.000 0.862 424 K N -1.712 118.397 120.400 -0.486 0.000 2.020 424 K HA -0.244 4.076 4.320 -0.001 0.000 0.142 424 K C 0.348 176.329 176.600 -1.032 0.000 1.458 424 K CA 1.657 57.622 56.287 -0.537 0.000 0.544 424 K CB -0.499 31.793 32.500 -0.346 0.000 0.566 424 K HN 0.461 nan 8.250 nan 0.000 0.927 425 L N 1.775 122.508 121.223 -0.817 0.000 2.337 425 L HA 0.225 4.564 4.340 -0.001 0.000 0.269 425 L C 1.538 178.091 176.870 -0.527 0.000 1.018 425 L CA -0.684 53.596 54.840 -0.933 0.000 0.876 425 L CB 0.564 42.386 42.059 -0.395 0.000 1.236 425 L HN 0.560 nan 8.230 nan 0.000 0.436 426 W N 0.932 122.104 121.300 -0.214 0.000 2.308 426 W HA -0.264 4.396 4.660 -0.001 0.000 0.301 426 W C 1.397 177.882 176.519 -0.056 0.000 1.220 426 W CA 0.692 57.930 57.345 -0.179 0.000 1.240 426 W CB -0.738 28.476 29.460 -0.411 0.000 1.142 426 W HN 0.581 nan 8.180 nan 0.000 0.521 427 Y N 0.215 120.775 120.300 0.434 0.000 2.439 427 Y HA -0.028 4.522 4.550 -0.001 0.000 0.292 427 Y C 2.083 178.077 175.900 0.157 0.000 1.130 427 Y CA 1.183 59.464 58.100 0.301 0.000 1.254 427 Y CB -0.648 37.994 38.460 0.303 0.000 1.000 427 Y HN -0.074 nan 8.280 nan 0.000 0.554 428 Q N 0.000 119.930 119.800 0.217 0.000 2.315 428 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 428 Q CA 0.000 55.870 55.803 0.112 0.000 1.022 428 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481